smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)Oc1ccc2c(c1)cc(C)n2C 50862 GLEKQOJQCKGACM-UHFFFAOYSA-N 203.241 2.412 0 40 BEAB COc1ccc(NC(C)=S)cc1OC 245605 JSJSVAPQEXRAPS-UHFFFAOYSA-N 211.286 2.463 0 40 BEAB CC(C)OC(=O)[C@H](C)OC(=O)C1CCCCC1 1705734 UBNXEHYVKIQTRD-JTQLQIEISA-N 242.315 2.450 0 40 BEAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCCC1 3344845 RVNVLHRPTUMGMO-SNVBAGLBSA-N 236.290 2.249 0 40 BEAB Cc1cc(-n2cnnn2)ccc1C(C)C 4105168 YVCOYQKNYQSLND-UHFFFAOYSA-N 202.261 2.094 0 40 BEAB Cc1ccc(CNC(=O)c2snnc2C)cc1 4584526 XEGUTQGMJODUNZ-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CCC(CC)c1nnc(NC(=S)NC)s1 5375138 CWBQKUOKQMNIOB-UHFFFAOYSA-N 244.389 2.358 0 40 BEAB S=C1S[C@@H]2CCC[C@@H]2N1C[C@@H]1CCCO1 6185702 WPFBZHYIGYZWGW-LPEHRKFASA-N 243.397 2.420 0 40 BEAB CC(C)c1ccc(CN(CC(N)=O)C2CC2)cc1 7797309 UOXMFTMHVRTCJU-UHFFFAOYSA-N 246.354 2.260 0 40 BEAB CC[C@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 12978797 VMXFEYGUMZFKSB-VIFPVBQESA-N 244.294 2.056 0 40 BEAB Oc1nc(-c2ccccc2)nnc1C(F)(F)F 13396788 PMBBUPDULTZZHL-UHFFFAOYSA-N 241.172 2.263 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@H](CO)C2)cc1C 19780973 KONADCAUEJXDNU-ZDUSSCGKSA-N 247.338 2.148 0 40 BEAB c1cncc(CNCCCN2CCCCC2)c1 20128728 YDXPMPYDTWESDK-UHFFFAOYSA-N 233.359 2.047 0 40 BEAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)C2CC2)c1 23990210 YPDHETAPNQPXMO-VIFPVBQESA-N 246.310 2.173 0 40 BEAB C[C@@H](NC(=O)CCc1ccco1)c1ccccn1 28784183 BVRUQNUVDIUUJZ-LLVKDONJSA-N 244.294 2.485 0 40 BEAB CCN(CC)C(=O)c1cc2ccccc2[nH]c1=O 32903717 FTLXPRNFJYQDGS-UHFFFAOYSA-N 244.294 2.010 0 40 BEAB COC(=O)/C=C/c1ccc(O)c(Cl)c1 34428216 BZHVHNVZOHIELV-HWKANZROSA-N 212.632 2.232 0 40 BEAB Clc1ccc(C2=Nc3ncnn3CC2)cc1 34732061 LDBFQIJGHGDOQE-UHFFFAOYSA-N 232.674 2.456 0 40 BEAB Cc1n[nH]cc1CN[C@@H]1CCCC[C@H]1C 35274040 QJPOMRYDLHMVRE-BXKDBHETSA-N 207.321 2.386 0 40 BEAB CC1(C)CO[C@@H](c2cccc(F)c2)CN1 36673025 MVNHMIHGVNHOFP-LLVKDONJSA-N 209.264 2.265 0 40 BEAB Cc1n[nH]cc1CNc1cccc(F)c1 36901506 YKOOBINOZGPYTR-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB COc1ccc2ccccc2c1[C@@H](CN)N(C)C 37290091 AHHQXKZTEKRYQB-CYBMUJFWSA-N 244.338 2.410 0 40 BEAB Cn1ccc(NCc2ccc(F)c(F)c2)n1 37471751 NLMRRPMNHBEXBR-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB Cc1ccc(C(=O)NCCc2ccccc2)n1C 40012142 OINWNLJNMFQEBB-UHFFFAOYSA-N 242.322 2.306 0 40 BEAB C[C@@H](CC(=O)NC1CC1)c1ccccc1 40459695 LQUASUFVLLOSRS-JTQLQIEISA-N 203.285 2.459 0 40 BEAB CCC(=O)N(C)CCOc1ccccc1F 44874035 IZCAQPKNYRWIFE-UHFFFAOYSA-N 225.263 2.073 0 40 BEAB c1ccc(OCCN2CCSCC2)cc1 47993866 HLGDRMPTBFFEQS-UHFFFAOYSA-N 223.341 2.114 0 40 BEAB CCOc1ccccc1C(=O)NCC(F)(F)F 57160066 YBOSBHOLNBQLQT-UHFFFAOYSA-N 247.216 2.377 0 40 BEAB Cc1cc(C(=O)N2CCn3cccc3[C@H]2C)no1 57308406 ILSXMVZPMPPOEJ-SNVBAGLBSA-N 245.282 2.002 0 40 BEAB Cc1ccc(CNC(=O)C2CCOCC2)c(C)c1 58689494 LXBJVIAAEPVWMD-UHFFFAOYSA-N 247.338 2.346 0 40 BEAB Cc1ccc(C)c(-c2cc(C(=O)O)n(C)n2)c1 61957800 UODSQVQCKXHFCU-UHFFFAOYSA-N 230.267 2.402 0 40 BEAB COc1cccc(Cc2nnc(SC)o2)c1 66256764 MYVDUBUGHLCAJT-UHFFFAOYSA-N 236.296 2.391 0 40 BEAB O=C(O)c1noc(-c2cc(Cl)ccc2F)n1 71047846 SLGJEADFOUAEKN-UHFFFAOYSA-N 242.593 2.227 0 40 BEAB in-vitro CC(C)(O)CNc1nc2ccccc2s1 78470379 PSSJDTUXUOEARC-UHFFFAOYSA-N 222.313 2.479 0 40 BEAB c1ccc2c(N3CCOCC3)nsc2c1 81145108 SDSZPAKHNWSFEC-UHFFFAOYSA-N 220.297 2.133 0 40 BEAB CC(C)(C)OC(=O)N=c1[nH]c2ccccc2[nH]1 82457521 JMRLHZJPLGCDSR-UHFFFAOYSA-N 233.271 2.332 0 40 BEAB CCCc1nnc(N2CCSCC2)s1 84759083 WAIUPODAGNFIRW-UHFFFAOYSA-N 229.374 2.044 0 40 BEAB O=C1C[C@H](C(=O)O)[C@@H](c2cccc(Cl)c2)O1 85394752 GUKUDXDKOLRVKP-WCBMZHEXSA-N 240.642 2.029 0 40 BEAB C[C@H](SC[C@H](O)CO)c1c(F)cccc1F 89904502 OAYPLTBJUMHENG-JGVFFNPUSA-N 248.294 2.112 0 40 BEAB CCN1CC[C@H](NC[C@@H](C)SC)[C@H](C)C1 90725122 GLBSBOQHIMFMPB-UTUOFQBUSA-N 230.421 2.058 0 40 BEAB C[C@H]1CNCc2cc(C(F)(F)F)cnc21 91368649 BRPSXMKJOWCZIF-LURJTMIESA-N 216.206 2.307 0 40 BEAB O=C(O)C1(c2cnccc2C(F)(F)F)CC1 95094305 JHDXWEGBKFZBFM-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB CCCCc1noc([C@@H]2CCCNCC2)n1 95095441 VCSDNFPBFODQNS-SNVBAGLBSA-N 223.320 2.269 0 40 BEAB CCOC(=O)CCOc1ccc(F)cc1C 95734133 IIGVGPMKGQNKSK-UHFFFAOYSA-N 226.247 2.466 0 40 BEAB CN(CCOC(C)(C)C)[C@@H]1CCSC1 96485538 HBFCHJIKSJDLKI-SNVBAGLBSA-N 217.378 2.239 0 40 BEAB CC(C)c1nnc(NCc2cccnc2)o1 96494336 DVHVYBLPQARLKZ-UHFFFAOYSA-N 218.260 2.200 0 40 BEAB CCNc1nc2c(Cl)ncnc2s1 96511271 GIHMEVPCVISTPC-UHFFFAOYSA-N 214.681 2.172 0 40 BEAB Nc1c(C(F)(F)F)ccc(F)c1C(=O)O 97447219 KDOZOMYGQAKUNF-UHFFFAOYSA-N 223.125 2.125 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H]1SC(N)=NN=C21 137040491 QKTKJUURJFAZSY-RASWFIQWSA-N 223.345 2.229 0 40 BEAB C[n+]1cccc(-c2nc3ccccc3o2)c1 137475637 NTDVWJQVAJITPN-UHFFFAOYSA-N 211.244 2.319 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCCC(=O)C1 199828874 HSOQXTIUYUKOIY-VIFPVBQESA-N 227.304 2.270 0 40 BEAB N[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 218685958 LVIJXJAIZQYJOP-GHMZBOCLSA-N 209.676 2.091 0 40 BEAB COC(=O)c1cn(-c2ccccc2C)nc1C 226258214 UALDYZKWHZWTKH-UHFFFAOYSA-N 230.267 2.276 0 40 BEAB Cn1nc(NCC2(F)CC2)c2ccccc21 902689748 QAHZZEKPFWMCCF-UHFFFAOYSA-N 219.263 2.487 0 40 BEAB C[C@H](NC1=NCCO1)c1ccccc1Cl 1639494 HGHUIMUBLYEQDT-QMMMGPOBSA-N 224.691 2.377 0 40 BEAB CCOC(=O)Nc1ccc(F)cc1OC 1732273 QXFDCLMSFITIEU-UHFFFAOYSA-N 213.208 2.403 0 40 BEAB O=C1CC(=O)CC(c2ccccc2F)C1 2518191 RMEWCTHODLROAM-UHFFFAOYSA-N 206.216 2.231 0 40 BEAB CC(=O)O[C@]1(C)N=NC2(CCCCC2)O1 3954560 ANHAXLUSWJFDQE-VIFPVBQESA-N 212.249 2.366 0 40 BEAB in-vitro Clc1nc(Cl)c2[nH]c(Cl)nc2n1 4429941 XPTCECRKQRKFLH-UHFFFAOYSA-N 223.450 2.313 0 40 BEAB in-vitro CC(=O)[C@H](C)CCO[C@]1(C)OCC[C@@H]1C 4976407 OQTJPVDUVXPFKJ-JFGNBEQYSA-N 214.305 2.391 0 40 BEAB in-vitro CC[C@H](CO)NC(=O)Nc1c[nH]c2ccccc12 5299851 WDWTVHQHSBAQRS-SECBINFHSA-N 247.298 2.060 0 40 BEAB C/C=C/c1cc(C(=O)O)cc(OC)c1OC 7814930 QJMYJBBBKJWVDQ-SNAWJCMRSA-N 222.240 2.435 0 40 BEAB in-vitro CCC[C@@H](Nc1ccc(F)cc1)C(=O)O 8730661 DNXZZQMMWNRWTG-SNVBAGLBSA-N 211.236 2.491 0 40 BEAB CC(C)C(=O)Nc1onc2c1C[C@H](C)CC2 11917222 NWCNUSSKEOORGG-MRVPVSSYSA-N 222.288 2.394 0 40 BEAB COc1ccccc1/C=C1/SC(=O)NC1=O 12409153 LJEQHDQLEYCLSC-RMKNXTFCSA-N 235.264 2.019 0 40 BEAB CC(=C/C(=O)O)/C(=C\c1ccc(C)o1)C(=O)O 12654560 VYSHNWBPRAODAM-ZPRNNRRZSA-N 236.223 2.087 0 40 BEAB biogenic CC12CCC(CC1)C(C)(C)N[C@H](N)S2 19319992 UDKIVQHZRWSEDP-YUCVTWSNSA-N 214.378 2.293 0 40 BEAB COc1cccc(-c2cc(=O)[nH]c(=S)[nH]2)c1 19942596 NKGFCNNAZAKQTQ-UHFFFAOYSA-N 234.280 2.108 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(N)cc1F 20157248 YNPBJXYPVGWGGE-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB Sc1nnc(CCc2ccccc2)o1 20159272 LWFLSIYQAROQEJ-UHFFFAOYSA-N 206.270 2.144 0 40 BEAB in-vitro Cc1c([C@H](C)NC(=O)c2ccsc2)cnn1C 25000095 KZNKYAGDIMKHAC-QMMMGPOBSA-N 249.339 2.281 0 40 BEAB Cc1ccnc(Nc2nc(CC(=O)O)cs2)c1 31935597 UJMPXEAURLPACL-UHFFFAOYSA-N 249.295 2.217 0 40 BEAB N[C@H]1C[C@@H]1c1cccc(Br)c1 32012641 CFVKOAMEQVZCAM-BDAKNGLRSA-N 212.090 2.264 0 40 BEAB O=C(NC1CC1)c1ccccc1-n1cccc1 32070317 BPLCRLRLEDBEFH-UHFFFAOYSA-N 226.279 2.370 0 40 BEAB COc1ccccc1-n1nc(C)c(C(=O)O)c1C 32102390 UAVPLNPKHZHNIW-UHFFFAOYSA-N 246.266 2.196 0 40 BEAB C[C@@H]1CN(Cc2ccc(Cl)nc2)[C@H](C)CO1 35784497 QSNVIUKLAUHSNC-NXEZZACHSA-N 240.734 2.344 0 40 BEAB C[C@H](CNC(=O)C1CCCCC1)N1CCCC1 36076927 AHKNJCGVIBWPRP-GFCCVEGCSA-N 238.375 2.167 0 40 BEAB COC(=O)/C=C/c1cccc2cc[nH]c12 37625335 XOLBSBOCRAAKLU-AATRIKPKSA-N 201.225 2.354 0 40 BEAB in-vitro Cc1ccccc1C(=O)N(C)Cc1cnn(C)c1 40488639 WGDZDAXJHQCJGL-UHFFFAOYSA-N 243.310 2.001 0 40 BEAB CCCc1ccc(C(=O)NCc2cc[nH]n2)cc1 58202427 QUGSDRNCBDUKJZ-UHFFFAOYSA-N 243.310 2.292 0 40 BEAB CC[C@@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 58406224 ZSFDLEAGLNVITG-KBPBESRZSA-N 247.338 2.428 0 40 BEAB C[C@]1(C(=O)O)CCCN(C2CCCC2)C1 62876676 FSHFQTHNHSVWGY-LBPRGKRZSA-N 211.305 2.116 0 40 BEAB CN1CCC(COc2cccc(F)c2N)CC1 67800757 YFJOXACNOFWELQ-UHFFFAOYSA-N 238.306 2.129 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CNCC[C@@H]2C)c(C)c1 71412550 WNJIJOSNQSMENH-FZMZJTMJSA-N 246.354 2.031 0 40 BEAB CCN1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 72217973 VXJSSAGJNZMHDN-GFCCVEGCSA-N 220.316 2.230 0 40 BEAB CC(C)(NC(=O)[C@@H](O)c1ccccc1)C1CC1 73970370 CCAACLSQVPECAF-LBPRGKRZSA-N 233.311 2.025 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCc2cn[nH]c21 95348227 UNPDFDSZXIRIEB-SECBINFHSA-N 237.303 2.312 0 40 BEAB in-vitro COc1ccc(CCO)cc1OCC(C)C 95732091 BYNSRDCFLMTQJU-UHFFFAOYSA-N 224.300 2.265 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]2O1 96045905 RRFFSCXINPDGEX-UBHSHLNASA-N 245.322 2.326 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96062524 JCOZIKHHYQOZHA-GMXVVIOVSA-N 221.300 2.279 0 40 BEAB CSCC[C@H](C)NC(=O)c1ccccc1O 96412312 TYSUDDXKPJVCRB-VIFPVBQESA-N 239.340 2.264 0 40 BEAB CCCCNc1ccc(C(N)=O)c(F)c1 96461163 ZYHRTWHKQWBVNY-UHFFFAOYSA-N 210.252 2.137 0 40 BEAB O=C1NCCCc2cc(Br)ccc21 107253885 BEORXCXGLNMZMJ-UHFFFAOYSA-N 240.100 2.125 0 40 BEAB CCOC(=O)[C@@H]1CCCc2scnc21 108276128 CZWCQRFMTZHZLB-SSDOTTSWSA-N 211.286 2.126 0 40 BEAB CC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 139245161 RDOSABTYJFSZHQ-ZDUSSCGKSA-N 247.294 2.377 0 40 BEAB CC(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1O 196768623 IKFHUDSTJIBEKZ-UHFFFAOYSA-N 227.191 2.278 0 40 BEAB N[C@@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 218884773 SGLYJMFKFVWGQM-MNOVXSKESA-N 212.243 2.257 0 40 BEAB O=C(O)CSCc1nnc(C2CCCC2)o1 223766396 PJBVLUJJFUTYHQ-UHFFFAOYSA-N 242.300 2.045 0 40 BEAB CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@H]1N(C)C)C2(C)C 245241064 WWHMPEUSLLXFGZ-NMKXLXIOSA-N 224.392 2.303 0 40 BEAB Clc1ccc(OCC2=NCCN2)cc1Cl 1435 FVHAONUKSUFJKN-UHFFFAOYSA-N 245.109 2.374 0 40 BEAB in-man C[C@H]1CCc2c(sc3ncnc(NN)c23)C1 144673 JYAWOBURGLFWTJ-LURJTMIESA-N 234.328 2.102 0 40 BEAB in-vitro [O-][n+]1cccc2ncc3cscc3c21 480994 DCSRUEAKYVWONR-UHFFFAOYSA-N 202.238 2.083 0 40 BEAB Cc1nccc(-c2ccc3c(c2)OCO3)n1 1390262 VDVQZCVGMOLQIG-UHFFFAOYSA-N 214.224 2.181 0 40 BEAB NC[C@H](O)c1ccc(OCc2ccccc2)cc1 6580272 YZOUUVUNKGUDSK-HNNXBMFYSA-N 243.306 2.258 0 40 BEAB in-vitro Cc1cccc(-n2ncc(C(=O)N(C)C)c2C)c1 6773779 FLJBUTAZHDLPOJ-UHFFFAOYSA-N 243.310 2.191 0 40 BEAB COCCNC(=S)Nc1cc(C)ccc1C 7522014 LIGBHDFYDZTCHK-UHFFFAOYSA-N 238.356 2.236 0 40 BEAB CCC(=O)N(C)CC(=O)Nc1c(C)cccc1C 8312427 GJHPYPMUKUHDRJ-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB Cc1cc(NC(=O)NCc2ccc(F)cc2)no1 9885432 PSDFSKHSHNUYIY-UHFFFAOYSA-N 249.245 2.444 0 40 BEAB CCCn1nc2[nH]c(=O)cc(C(F)F)c2c1C 12397848 XOLOEAQXFVZZTB-UHFFFAOYSA-N 241.241 2.381 0 40 BEAB COC(=O)c1c(-c2cccnc2)csc1N 12949932 GIFZVDAPWGUEQV-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB C=CCOc1ccc(C(=O)NC2CC2)cc1OC 17122993 BPTIOTGCWLYFCQ-UHFFFAOYSA-N 247.294 2.152 0 40 BEAB COc1ccc(C(=O)N2CCCCCC2)cc1N 20155939 VSSLCNKONSPRIU-UHFFFAOYSA-N 248.326 2.294 0 40 BEAB CC(C)=CC(=O)Nc1ccc(CC(=O)O)cc1 20587505 RRPPJKQGVAMRMU-UHFFFAOYSA-N 233.267 2.218 0 40 BEAB in-vitro Cc1c([C@@H](C)NC(=O)c2cccs2)cnn1C 25006289 VFKLLVLTXFNFLC-MRVPVSSYSA-N 249.339 2.281 0 40 BEAB Fc1cccc(-c2noc([C@@H]3CCCNC3)n2)c1 35660503 SFLFRHKNFAGSIC-SNVBAGLBSA-N 247.273 2.343 0 40 BEAB in-vitro CNC(=O)N1CCCCCN=C1c1ccccc1 35682867 XGOKQZMYHPWWKB-UHFFFAOYSA-N 245.326 2.259 0 40 BEAB COc1cc(C(C)=O)ccc1SCC(=O)O 39947648 DOYMHSDPBNBENE-UHFFFAOYSA-N 240.280 2.075 0 40 BEAB in-vitro Brc1cc2c(s1)CCNC2 40434608 DOZQOZIGEUPNHN-UHFFFAOYSA-N 218.119 2.156 0 40 BEAB Cc1cccc(CN2CCO[C@@H](C)C2)c1 40479468 XCQHTVWIUSXZOL-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB CCOCCCNC(=O)c1c(F)cccc1F 40489492 WFGOSFJXSNZBTE-UHFFFAOYSA-N 243.253 2.121 0 40 BEAB CCN(Cc1nnc(-c2ccco2)o1)C1CC1 40528241 DYLRJAVWXSXGQS-UHFFFAOYSA-N 233.271 2.314 0 40 BEAB Cc1cc([C@H]2CCCN2C(=O)NCC2CC2)no1 45458735 LNCBUOIDCXCCMO-GFCCVEGCSA-N 249.314 2.240 0 40 BEAB CN(C(=O)Nc1nnc(C2CC2)s1)C1CC1 58024294 PRXJGYUFLKLGML-UHFFFAOYSA-N 238.316 2.042 0 40 BEAB O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc[nH]1 67333816 LANFVERRUQCIJX-WCQYABFASA-N 244.269 2.440 0 40 BEAB O=C(O)c1ccn(Cc2cccc(Cl)c2)n1 70707564 ZNMVRBHZYJUAEK-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB Brc1cnc(-c2cccnc2)nc1 72192013 DYDJFOKPOCYNAD-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB O=C(O)c1nc(-c2ccccc2F)ns1 74013487 DUFVIMPXXWHOJW-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB FC(F)(F)C1CCN(CCn2cccn2)CC1 75997274 CKGYSDJREYPTCJ-UHFFFAOYSA-N 247.264 2.157 0 40 BEAB Cc1cccc(S(=O)(=O)CCOC(C)C)c1 83025391 YZRQAZQTWFMARX-UHFFFAOYSA-N 242.340 2.194 0 40 BEAB CCC(=O)N1CCC(N[C@@H]2CC=CCC2)CC1 89156372 KIMIZBDTOLDEJN-GFCCVEGCSA-N 236.359 2.086 0 40 BEAB COC(=O)c1cnc2c(C(F)(F)F)cccn12 89202229 ZMPXQRDTONSFGO-UHFFFAOYSA-N 244.172 2.140 0 40 BEAB COCCNCc1ccc(C)c(C)c1OC 95094883 QDGKWNBGRQMJSK-UHFFFAOYSA-N 223.316 2.048 0 40 BEAB N[C@H]1CC[C@H](N2Cc3c(F)cccc3C2=O)CC1 100806965 ZCJCMWFBXQXBSJ-AOOOYVTPSA-N 248.301 2.051 0 40 BEAB O=C(NCC(F)(F)C(F)F)[C@H]1CC=CCC1 195580123 NMCGRVWYVCZENV-ZETCQYMHSA-N 239.212 2.359 0 40 BEAB CC[n+]1cccc(-c2nc3cc(N)ccc3o2)c1 226778090 SSQWGDBWAXWHDY-UHFFFAOYSA-N 240.286 2.384 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2OC[C@H](C)[C@@H]21 242722776 XUJUJWPNVYKNBP-ZRUFSTJUSA-N 212.289 2.001 0 40 BEAB CCOc1ccnc2c(Cl)ncnc12 252506304 VYUJFSLPXRJQOX-UHFFFAOYSA-N 209.636 2.077 0 40 BEAB CCOC(=O)C(=O)c1cccc(C)c1Cl 258356629 GCDFXPVYSMVIQN-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB Cc1ccc2c(c1Br)CC(=O)N2 299889002 BVZQFQZCSVIIJE-UHFFFAOYSA-N 226.073 2.252 0 40 BEAB c1ccc2ncc(N3CCCNCC3)cc2c1 23622 ITPXKRKCDRCWLZ-UHFFFAOYSA-N 227.311 2.035 0 40 BEAB Nc1nc(=S)n2c(n1)sc1ccccc12 171488 OJONYEFMXQBBJU-UHFFFAOYSA-N 234.309 2.256 0 40 BEAB Nc1ccc(C(=O)Nc2cccc(N)c2)cc1 225990 HWKHQQCBFMYAJZ-UHFFFAOYSA-N 227.267 2.103 0 40 BEAB Cc1ccc(C)c(NC(=O)c2ccc(O)nn2)c1 542782 HQMHDWZKSWOHEI-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB CCSc1nc(Cl)nc2c1cnn2C 1562327 MUEQRCAFPRCTNG-UHFFFAOYSA-N 228.708 2.129 0 40 BEAB C[C@@H]1CC[C@H](n2cnc3c(Cl)ncnc32)O1 1694520 QPUVEEMQGWMVIY-RNFRBKRXSA-N 238.678 2.177 0 40 BEAB O[C@H](c1ccc2ccccc2n1)[C@H]1CCCCN1 1730921 LSNMFZBXDRDBIG-HIFRSBDPSA-N 242.322 2.410 0 40 BEAB O=C(OC[C@@H]1CCCO1)c1ccccc1 2572267 ZXVLLZARPGZABO-NSHDSACASA-N 206.241 2.022 0 40 BEAB Cc1ccccc1NS(=O)(=O)CC(C)C 2755968 IEOIUFLCLWJRAA-UHFFFAOYSA-N 227.329 2.393 0 40 BEAB O=C(O)C(=O)Nc1cc(Cl)cc(Cl)c1 2788403 AEILHFSLZYDGBP-UHFFFAOYSA-N 234.038 2.017 0 40 BEAB COC(=O)Oc1cc(C)c2oc(=O)sc2c1 3131578 CSIUNKCPSZKFTO-UHFFFAOYSA-N 240.236 2.308 0 40 BEAB CC(C)c1nc(-c2ccccc2)cn(O)c1=O 5633461 GMOFSGZRYAPCSW-UHFFFAOYSA-N 230.267 2.271 0 40 BEAB Cn1cccc1C(=O)NCC1CCCCC1 12940755 QSNZTFNCGRQGCG-UHFFFAOYSA-N 220.316 2.335 0 40 BEAB O=C(CCc1ccco1)Nc1nccs1 12946586 ULSNSKVLQIOHBI-UHFFFAOYSA-N 222.269 2.307 0 40 BEAB Cc1cccc2cc(CNC3CC3)c(=O)[nH]c12 13566561 AGGLPHOUPSQWKA-UHFFFAOYSA-N 228.295 2.089 0 40 BEAB CC(=C\C(=O)O)/C(=C\c1ccccc1)C(=O)O 13764827 MPVJIYIIVIHOMK-BIZFVBGRSA-N 232.235 2.186 0 40 BEAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCNC1 19408836 YTLNUENEYTZKNZ-VIFPVBQESA-N 238.718 2.278 0 40 BEAB C[C@](N)(C(=O)O)c1ccc(Cl)cc1Cl 19517907 KPFULSXQLOVBSQ-SECBINFHSA-N 234.082 2.252 0 40 BEAB O=C(O)[C@@H]1CCN(c2cccc(Cl)c2)C1 20357888 AZFUTXZLXVXJSZ-MRVPVSSYSA-N 225.675 2.251 0 40 BEAB in-vitro CC(C)N[C@@H]1CCN(Cc2ccccc2)C1 26514590 ZELZJSMTYJIMIM-CQSZACIVSA-N 218.344 2.259 0 40 BEAB COc1cccc(-c2csc(=O)[nH]2)c1 34669817 FMROXOWLZSPZIM-UHFFFAOYSA-N 207.254 2.112 0 40 BEAB in-vitro Cc1cc(N)nn1-c1ccc(F)cc1F 34907427 RCRPMJMEOADQIG-UHFFFAOYSA-N 209.199 2.041 0 40 BEAB COC(=O)[C@@H](N)c1cc(Cl)cc(Cl)c1 35629899 MQVMYVLIKSGCBH-QMMMGPOBSA-N 234.082 2.166 0 40 BEAB C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1 36076067 BWBOLIDGHJDZKG-VIFPVBQESA-N 239.702 2.201 0 40 BEAB CCCC[C@@H](NCc1ccccc1)C(=O)O 41042480 HQDXZMGISBZJCQ-GFCCVEGCSA-N 221.300 2.420 0 40 BEAB O=C1NCc2c(Br)cccc2N1 44154300 BZSVCWIHODXNSS-UHFFFAOYSA-N 227.061 2.084 0 40 BEAB C[C@@H](NC(=O)CC(F)(F)F)c1cccnc1 44604023 KSQZTFMCGMXBRJ-SSDOTTSWSA-N 232.205 2.211 0 40 BEAB CC(C)(C)c1ncc(C(=O)NC2CC2)s1 49045803 UAHLEYMGDRVGDR-UHFFFAOYSA-N 224.329 2.333 0 40 BEAB CN(CC1CCCC1)c1cn[nH]c(=O)c1Cl 49490968 GYUALDJEVAVOAR-UHFFFAOYSA-N 241.722 2.050 0 40 BEAB Cc1ccc(C2(O)CCN(C)CC2)cc1C 53303574 NUAVIMYDHHQWQZ-UHFFFAOYSA-N 219.328 2.217 0 40 BEAB CCONC(=O)c1cccn1Cc1ccccc1 58637144 GOYMCJSKWPQSRG-UHFFFAOYSA-N 244.294 2.218 0 40 BEAB CS(=O)(=O)Nc1ccc(-c2ccccc2)cn1 62545583 NTPARMVMCGDIJN-UHFFFAOYSA-N 248.307 2.120 0 40 BEAB Cc1cc(CN)cnc1OCc1ccccc1 72222379 JZLSTLIWAFDKAN-UHFFFAOYSA-N 228.295 2.428 0 40 BEAB CCOC(=O)CCOc1ccc(F)c(F)c1F 75881246 FXJQNJCYHDUZPK-UHFFFAOYSA-N 248.200 2.436 0 40 BEAB CC(C)[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccn1 78826822 QYFRITYSPBBUFK-QWHCGFSZSA-N 248.326 2.074 0 40 BEAB Cn1c(C(F)(F)F)nc2c(Cl)ncnc21 82330951 BIWNFNBQEBSYDD-UHFFFAOYSA-N 236.584 2.036 0 40 BEAB Cc1cc(C)c2cc(CC(=O)O)ccc2n1 82770110 FLJRFSIWQOMGOP-UHFFFAOYSA-N 215.252 2.479 0 40 BEAB COC(=O)[C@H]1C[C@H](C(C)(C)C)CCC1=O 84199440 VIIDTQNSMYMAIY-BDAKNGLRSA-N 212.289 2.191 0 40 BEAB Clc1ccc(-c2cc3n(n2)CCNC3)cc1 84526488 QMHHJSIXKDONKY-UHFFFAOYSA-N 233.702 2.307 0 40 BEAB in-vitro Nc1ccnc(CSc2ccc(F)cc2)n1 85100644 UQQQQRKAJVDUQC-UHFFFAOYSA-N 235.287 2.490 0 40 BEAB CCCN1CCC[C@@H]1C(=O)Nc1ccccc1O 95442643 SMPCUALSMNPOLB-GFCCVEGCSA-N 248.326 2.205 0 40 BEAB Cc1sc(Br)nc1C=O 95930444 NTDQOUDMMMDAMH-UHFFFAOYSA-N 206.064 2.027 0 40 BEAB CCCc1[nH]ncc1C(=O)OCCSCC 97010787 DIAKIQWZUZZOEN-UHFFFAOYSA-N 242.344 2.272 0 40 BEAB CCOC(=O)[C@H]1CS[C@H](c2cccs2)N1 98072871 FPFZNKCTUSSDIU-VXNVDRBHSA-N 243.353 2.015 0 40 BEAB CCC[C@@](F)(C(=N)OCC)C(=O)OCC 100069569 PBQJWTWKVNHMCV-SNVBAGLBSA-N 219.256 2.072 0 40 BEAB OC1C[C@@H]2CC[C@@H](C1)N2c1ccccc1 102233556 AZQPQDSVAJMYQD-RYUDHWBXSA-N 203.285 2.179 0 40 BEAB O=C(O)C[C@@H](NCc1ccccc1)C(F)(F)F 199765748 QOKYUTHXJJSBLE-SECBINFHSA-N 247.216 2.182 0 40 BEAB COC(=O)CCc1ccc2nc(C)c(C)nc2c1 217766921 ZLEHDWHZLCLSSV-UHFFFAOYSA-N 244.294 2.352 0 40 BEAB CCc1nc(-c2ccc(N)c(C)c2)no1 225173296 HIKDVNCLHRRQFY-UHFFFAOYSA-N 203.245 2.190 0 40 BEAB C1CCC(N2CCN[C@H]3CCCC[C@@H]32)C1 225711499 ZWKJNDZNZSTNMG-STQMWFEESA-N 208.349 2.145 0 40 BEAB COc1ccccc1N1CCN[C@H]2CCCC[C@@H]21 225712891 BMMDBEJVFDAXMM-STQMWFEESA-N 246.354 2.416 0 40 BEAB c1nnc(N2CCC(=C3CC3)CC2)s1 585379432 HBAIHKQUNFMNFR-UHFFFAOYSA-N 207.302 2.229 0 40 BEAB O=C(c1cc2ccccn2c1)N1CC[C@H](CF)C1 893495928 WDMXCNKETMGAKU-LLVKDONJSA-N 246.285 2.371 0 40 BEAB CC[C@@](C)(NC=O)C(=O)Nc1c(C)cccc1C 493785 SJUBAGMYKASKEM-CQSZACIVSA-N 248.326 2.157 0 40 BEAB CO[C@@H](C(=O)O)c1cccc(Cl)c1 1736886 MBAJSMKLHBYGHS-MRVPVSSYSA-N 200.621 2.112 0 40 BEAB COC1=CC(=O)O[C@H]([C@H]2CC=CCC2)C1 4429981 CPFJREYMKODRII-ONGXEEELSA-N 208.257 2.189 0 40 BEAB O=C(COC(=O)c1cccs1)c1ccc[nH]1 5636127 TYVHXFKFIONVGL-UHFFFAOYSA-N 235.264 2.116 0 40 BEAB COc1ccc(C)cc1NC(=O)c1ccno1 6584937 UVGLIXOHCBBKLS-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB O=Cc1cn(CCCC(=O)O)c2ccccc12 7467955 VHQDVTDPTCDCJX-UHFFFAOYSA-N 231.251 2.319 0 40 BEAB COc1ccc(/C=C/CC(=O)O)cc1OC 8569864 NMLGGEYQMKFANL-ONEGZZNKSA-N 222.240 2.192 0 40 BEAB Cc1ccc(O)c(C(=O)OCc2cc(C)on2)c1 8944959 BYTXRFBWVKXEAL-UHFFFAOYSA-N 247.250 2.354 0 40 BEAB O=C(CNc1ccc(F)c(Cl)c1)NC1CC1 10219954 KCXSZFAFLQKSML-UHFFFAOYSA-N 242.681 2.170 0 40 BEAB O=C(O)c1c2c(nn1-c1ccccc1)CCCC2 12480575 KRSOPTZGQKYDMW-UHFFFAOYSA-N 242.278 2.449 0 40 BEAB COc1ccc(C(=O)N2CCC[C@H](C)C2)c(O)c1 12913393 JMWVXVGJMYPIFO-JTQLQIEISA-N 249.310 2.273 0 40 BEAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 13319996 RJDRLSHRAYLXIA-ZWNOBZJWSA-N 249.310 2.051 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=S)NC2CC2)C1 13827490 ZDPKKDDUHJJTQO-IUCAKERBSA-N 212.362 2.001 0 40 BEAB Fc1ccc(O[C@H]2CCNC2)c(Cl)c1 14632100 XHMHTNULNLTTSJ-QMMMGPOBSA-N 215.655 2.220 0 40 BEAB CCOCCOC(=O)/C=C\c1ccccc1 16892644 CFDQLILRAWSXHA-HJWRWDBZSA-N 220.268 2.280 0 40 BEAB CC(C)OC(=O)[C@@H]1CCN[C@H]1c1ccccc1 17578465 RWQUVOWLQIPGFC-OLZOCXBDSA-N 233.311 2.289 0 40 BEAB CCOCCC(=O)N1CCCc2ccccc21 20169124 GXVJHEVCTFHYPG-UHFFFAOYSA-N 233.311 2.392 0 40 BEAB O=C(CCc1cccnc1)NC(C1CC1)C1CC1 29383473 PYKUTLMDJMBHKQ-UHFFFAOYSA-N 244.338 2.319 0 40 BEAB Cc1ccsc1C(=O)N[C@H](C)Cn1cccn1 31391315 DXPSXTHPUFUULI-SNVBAGLBSA-N 249.339 2.072 0 40 BEAB CCOc1cccc([C@@H]2C[C@H]2C(=O)O)c1 32010612 IZKXGKMFQATOME-WDEREUQCSA-N 206.241 2.273 0 40 BEAB CN(C)c1cc(CNC(=O)CC(C)(C)C)ccn1 32830780 PDAODNYTYCCGBA-UHFFFAOYSA-N 249.358 2.200 0 40 BEAB COC(=O)C(=O)c1ccc(Cl)cc1Cl 34566885 TYUCVJLUZQUBMA-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB Cn1cc(C=O)c(-c2ccc(F)cc2F)n1 34961707 YVBWCEOLHUPVTI-UHFFFAOYSA-N 222.194 2.178 0 40 BEAB Nc1c(F)cccc1OCC(F)(F)F 37419946 FKCJAKSNVRXXAU-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2O1 40466495 HSZLHXYJYTUWHE-RISCZKNCSA-N 245.322 2.391 0 40 BEAB CC(C)(C)c1nccc([C@H]2CCCNC2)n1 43673928 FEEPHLVLUICVHR-JTQLQIEISA-N 219.332 2.241 0 40 BEAB COCCNC(=O)Nc1ccc(SC)cc1 43867503 GLXBUHNMAIDABW-UHFFFAOYSA-N 240.328 2.176 0 40 BEAB CC1CCN(C(=O)CC(F)(F)F)CC1 44597634 QTVXFOKMHRPFDL-UHFFFAOYSA-N 209.211 2.197 0 40 BEAB Cc1cc(SCc2ccncc2)ncn1 49026052 HRHWWLWBHCUHHE-UHFFFAOYSA-N 217.297 2.472 0 40 BEAB COCCCNC(=O)c1c(F)cccc1Cl 55531366 QRQABLVBIGSIGA-UHFFFAOYSA-N 245.681 2.245 0 40 BEAB OC1(Cc2cccc(Cl)c2)CCOCC1 63076823 XJLMPWRUZQXSQA-UHFFFAOYSA-N 226.703 2.424 0 40 BEAB CC[C@H](COC)N[C@H](C)c1cccc(O)c1 70624104 APXZVVKEUNQPTN-ZYHUDNBSSA-N 223.316 2.468 0 40 BEAB CC(=O)N[C@@]1([C@H]2C=CCCC2)C=COCC1 72194099 CVVYCUUQSLWFTJ-STQMWFEESA-N 221.300 2.152 0 40 BEAB CC[C@@H](O)c1cnc(N(C)CC)cc1C 72223237 YMPGOUCGWWLYSY-LLVKDONJSA-N 208.305 2.290 0 40 BEAB Cc1cc(OCc2ccccc2)ncc1CO 72223415 SXGHEAMSPCFKCF-UHFFFAOYSA-N 229.279 2.461 0 40 BEAB N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1cccs1 72227340 DUYFRGRMBHXSQO-VXGBXAGGSA-N 244.319 2.163 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN(C2CCOCC2)C1 72381924 VPFCUMNUBKIIQW-GFCCVEGCSA-N 249.358 2.077 0 40 BEAB CCCCCNC(=O)c1ccc2c(c1)ncn2C 74705560 JEWBUOLREZLPSZ-UHFFFAOYSA-N 245.326 2.493 0 40 BEAB CCCCNC(=O)NCCNc1ccccc1 75093316 FGNPFCVSMJHWDL-UHFFFAOYSA-N 235.331 2.198 0 40 BEAB Cc1nc(C)c(-c2cc(C(=O)O)no2)s1 83161865 WYYSALCNANLIEY-UHFFFAOYSA-N 224.241 2.113 0 40 BEAB Brc1cn[nH]c1C1CCOCC1 84511717 YJNDABSNCBHGSG-UHFFFAOYSA-N 231.093 2.066 0 40 BEAB O=C(C1CC1)N1CCC(C(F)(F)F)CC1 88439176 ZDUHASVMRKJUCD-UHFFFAOYSA-N 221.222 2.197 0 40 BEAB CC(C)(C)OC(=O)NC[C@](C)(O)c1ccco1 89662499 GDFJWEGKOQASAY-LBPRGKRZSA-N 241.287 2.012 0 40 BEAB CCN(Cc1cccs1)C(=O)c1ccnnc1 89969344 AREWPVIJTRJWKO-UHFFFAOYSA-N 247.323 2.200 0 40 BEAB c1cc(CSCC2CCNCC2)ccn1 91365923 YITGWKXXVBDBCL-UHFFFAOYSA-N 222.357 2.314 0 40 BEAB CCc1ccccc1NC(=O)[C@@H](C)n1cncn1 95349198 NYFYLRJLYVSCRP-SNVBAGLBSA-N 244.298 2.040 0 40 BEAB Fc1c(Cl)cccc1OCC1OCCO1 95734075 RICQMMPIXXXKHI-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB CCOC(=O)c1cc2ncc(Cl)cc2[nH]1 95919852 SKIVQYJOFLLWJR-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB COc1cccc(-c2cc(=O)[nH]c(C3CC3)n2)c1 96530941 UJGKDQVLDIZCSA-UHFFFAOYSA-N 242.278 2.323 0 40 BEAB O=C(O)c1ccc(CN2O[C@H]3C=C[C@H]2CC3)cc1 100716312 VBEBXFQLSRFWNG-STQMWFEESA-N 245.278 2.219 0 40 BEAB O=Cc1cnc(-c2cc(F)cc(F)c2)o1 199553570 QMXSXHRPMOKOCQ-UHFFFAOYSA-N 209.151 2.432 0 40 BEAB COC(=O)c1cccn1-c1nc(C)cs1 223745270 HOZYNFMLQGUDQT-UHFFFAOYSA-N 222.269 2.029 0 40 BEAB COc1cccnc1NC(=S)NC(C)(C)C 225275419 GBULXZNWEAAYIX-UHFFFAOYSA-N 239.344 2.175 0 40 BEAB O=C1C[C@@H]2[C@@H]3C=C(Br)[C@H]4[C@H]3C[C@H]2[C@H]14 245285150 WAWOSPOONYNJAN-IMEGLDROSA-N 239.112 2.366 0 40 BEAB CC(C)(C)[C@@H](O)COc1ccccc1C=O 256051815 KORPEECXPNVIFQ-LBPRGKRZSA-N 222.284 2.285 0 40 BEAB O=C(O)[C@H](NCc1ccccc1)C12CC(F)(C1)C2 258830781 HWTDFVYDHVQYQO-XGNXJENSSA-N 249.285 2.122 0 40 BEAB O=C(NC[C@H]1COc2ccccc21)c1ccoc1 335123793 RRCWLJWNCIKZRQ-NSHDSACASA-N 243.262 2.186 0 40 BEAB CC(C)N1C(=O)S/C(=C\c2ccc[nH]2)C1=O 409128032 IGWQHZNYWUSODB-TWGQIWQCSA-N 236.296 2.459 0 40 BEAB CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccn(C)n1 585141634 DPYGSZMDHGIVKS-WDEREUQCSA-N 235.331 2.213 0 40 BEAB CCOc1cnc2ccc(F)cc2c1C(=O)O 685936811 AOXXYQXEFIRFBL-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB N[C@@H]1C[C@@H](C(F)(F)F)CC(F)(F)C1 953073414 KKZPAIYUFASXBV-RFZPGFLSSA-N 203.154 2.311 0 40 BEAB COCc1nsc(N(C)C2CCCC2)n1 1888844543 GRCOCTUYVZQTPZ-UHFFFAOYSA-N 227.333 2.063 0 40 BEAB CN(C(=O)c1cccnc1)c1ccccc1 29328 FPTIYMXUGOIUNV-UHFFFAOYSA-N 212.252 2.358 0 40 BEAB Cc1cccc2c3c([nH]c12)CCN(C)C3 340388 XSHXIKHZZUQAFC-UHFFFAOYSA-N 200.285 2.464 0 40 BEAB Cc1ccccc1S(=O)(=O)Nc1cccnc1 383707 NDUXVALEWVMJDR-UHFFFAOYSA-N 248.307 2.191 0 40 BEAB O=C(OC1CCC(O)CC1)c1ccccc1 1675125 LNXMWBSIGLFCEE-UHFFFAOYSA-N 220.268 2.147 0 40 BEAB CCCOC(=O)COc1ccc(F)cc1F 1732326 VIDXAQUDMDWKTL-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB CC(C)COc1cccc(OCC(=O)O)c1 4071657 YCERKOAASBOHHF-UHFFFAOYSA-N 224.256 2.185 0 40 BEAB O=C1NC(=O)/C(=C/c2c(F)cccc2F)S1 4105108 KSUQQPMAKGYQEG-YWEYNIOJSA-N 241.218 2.289 0 40 BEAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1C2 5390851 VKQOAGZLAPUKRD-CYZMBNFOSA-N 230.311 2.134 0 40 BEAB Sc1nnnn1C1CCCCCCC1 7717056 XVBAYIKYIJKVRZ-UHFFFAOYSA-N 212.322 2.247 0 40 BEAB COc1cc2c(cc1OC)[C@H]1C=C[C@@H]2O1 12478096 BULFJJILZUREET-AOOOYVTPSA-N 204.225 2.386 0 40 BEAB CC1CCN(C(=O)[C@@H](C)N2CCCCC2)CC1 12911873 FGHSNDROTIIEOC-CYBMUJFWSA-N 238.375 2.119 0 40 BEAB COc1ccc2c(c1)C(=O)CC(C)(C)O2 13460734 ZCZUDOBLRMXOGV-UHFFFAOYSA-N 206.241 2.439 0 40 BEAB endogenous,in-man CCn1cc(CNCc2cccs2)cn1 20351205 XSOWVJJELHBSCB-UHFFFAOYSA-N 221.329 2.254 0 40 BEAB C[C@H](NC(=O)c1ccc(F)cc1)c1cnn(C)c1 28574062 GUCPFYXMBPHRQE-VIFPVBQESA-N 247.273 2.050 0 40 BEAB O=C(Cn1cccn1)Nc1ccc2c(c1)CCC2 32492026 LWRUONBQYKMJCO-UHFFFAOYSA-N 241.294 2.011 0 40 BEAB C/C=C\C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 33851101 BYZXGBSVTUJAKJ-VAUITZSSSA-N 237.343 2.370 0 40 BEAB biogenic CC1CCN(Cc2nnsc2Cl)CC1 35164996 DUUWPCGLTNZTMV-UHFFFAOYSA-N 231.752 2.423 0 40 BEAB C=CC(=O)N1CCSc2ccccc21 36334493 SXRZPNALYMPUPT-UHFFFAOYSA-N 205.282 2.311 0 40 BEAB COc1cc(C=O)c(SC)cc1OC 37628157 ZCLXCLRRCZYOTJ-UHFFFAOYSA-N 212.270 2.238 0 40 BEAB in-vitro O=C(C1CCCCCC1)N1CCC[C@H](CO)C1 53715342 UIFKZXKABWILKK-LBPRGKRZSA-N 239.359 2.188 0 40 BEAB COc1ccc([C@H](O)[C@H]2CCCCCN2)cc1 70193630 MZVOWTORNJFDSP-KGLIPLIRSA-N 235.327 2.261 0 40 BEAB Cc1nc(CNC(=O)CCCC(C)(C)C)no1 71914416 BACDLFKATIJJPL-UHFFFAOYSA-N 239.319 2.211 0 40 BEAB Cc1cc([C@H]2CCCCN2)cnc1S 72218273 ABGDTIFHQWQPRJ-SNVBAGLBSA-N 208.330 2.493 0 40 BEAB Cc1nc(S)ccc1[C@H]1CCCN1C 72218366 SQHFUSWYIIBCTA-SNVBAGLBSA-N 208.330 2.445 0 40 BEAB CCC(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 72275257 UFCNTMWBVZEERP-GFCCVEGCSA-N 240.391 2.413 0 40 BEAB CC(C)(C)c1cn2c(n1)CCC[C@@H]2C(=O)O 74040113 RBAUOGQQHFITCZ-MRVPVSSYSA-N 222.288 2.143 0 40 BEAB O=C(Nc1ccc2cn[nH]c2c1)C(F)(F)F 82257786 POYYEHMJTPOIPF-UHFFFAOYSA-N 229.161 2.064 0 40 BEAB CC(C)(C)Cc1noc([C@@H]2CCCNC2)n1 82673398 ZLFQYHKOPZRJMR-SECBINFHSA-N 223.320 2.125 0 40 BEAB Cc1nc2c(C(=O)O)cccc2n1C1CC1 83254274 NKWZCOJJWMOWTB-UHFFFAOYSA-N 216.240 2.378 0 40 BEAB CCC(=O)NCCc1nc(CC)c(C)s1 83817797 GHMSQOQGCXJYRD-UHFFFAOYSA-N 226.345 2.083 0 40 BEAB CC(C)C[C@@H](C)NCCCN1CCCC1=O 89802436 CTJZSDGEFJHOOU-GFCCVEGCSA-N 226.364 2.023 0 40 BEAB C[C@H]1C[C@H](Sc2ccccc2O)C(=O)O1 89920146 GJQSZGMWFDYFGG-XVKPBYJWSA-N 224.281 2.188 0 40 BEAB Nc1ccc2c(c1)[C@](O)(C(F)(F)F)CCC2 90600059 JJGHBWQDVNLVHK-JTQLQIEISA-N 231.217 2.355 0 40 BEAB OC[C@@H]1CCN(CCCC2CCCC2)C1 95422686 DIPPSQHYVVMCQV-CYBMUJFWSA-N 211.349 2.271 0 40 BEAB COc1cccc([C@@H](O)c2cccn2C)c1 95727859 YBNQSZFGNRMCPW-CYBMUJFWSA-N 217.268 2.115 0 40 BEAB Cc1nc(SCc2oc(=O)oc2C)[nH]c1C 96136913 SMQPPYPJFRYURF-UHFFFAOYSA-N 240.284 2.173 0 40 BEAB COC(=O)CN[C@H](C)C(C)(C)c1ccccc1 96491407 XZYWTQCGIVUVCW-LLVKDONJSA-N 235.327 2.115 0 40 BEAB CCCCc1cc(N)nc([C@H](C)OC)n1 96529232 WYTILRYMVOUJOD-QMMMGPOBSA-N 209.293 2.109 0 40 BEAB Cc1cccc(CN2CCC[C@]2(C)CO)c1 97376375 CEBIAORRDVTNRD-CQSZACIVSA-N 219.328 2.342 0 40 BEAB CC(C)c1ccccc1N1C[C@@H](C(=O)O)C[C@H]1O 101322687 WUHLHTXBWLRYKD-GXFFZTMASA-N 249.310 2.039 0 40 BEAB CCN1CCC[C@H]1CN[C@H](C)CC(C)C 101574157 PQJZOMSAPMTJFK-OLZOCXBDSA-N 212.381 2.495 0 40 BEAB NCCC(=O)N(CC1CCC1)c1ccccc1 237840748 BUECWWQQWRGIQT-UHFFFAOYSA-N 232.327 2.169 0 40 BEAB F[C@@H]1COC[C@@H]1Nc1ccc2ccccc2n1 585298212 RKHOZHVBAOVFFO-PWSUYJOCSA-N 232.258 2.384 0 40 BEAB Fc1cnc(OCc2cccc(F)c2)nc1 585651976 UDVQMEYLGWQZKE-UHFFFAOYSA-N 222.194 2.334 0 40 BEAB COC(=O)c1cccc2c1OC(C)(C)CC2=O 1772714723 NAAYQRVGUAIAAO-UHFFFAOYSA-N 234.251 2.217 0 40 BEAB COc1cc(-c2ncn(C)n2)ccc1Cl 2362801278 ADQGTYUJDVVXDF-UHFFFAOYSA-N 223.663 2.144 0 40 BEAB COc1ccc(CSCC(=O)O)cc1 565854 SDNBUZXAGNJNBL-UHFFFAOYSA-N 212.270 2.013 0 40 BEAB in-vitro O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)N1 1318908 WJZHVBZSCOLDKV-YHYXMXQVSA-N 227.223 2.189 0 40 BEAB biogenic,in-vitro C[C@](O)(C1CC1)[C@H](C(=O)O)c1ccccc1 1593049 SLDAEGGTLLAFPL-AAEUAGOBSA-N 220.268 2.016 0 40 BEAB N#CCC(=O)c1cc(F)c(F)c(F)c1F 2579816 MGLRHWFCBVCYIN-UHFFFAOYSA-N 217.121 2.339 0 40 BEAB COc1ccc(/C=C/c2cc[n+](C)cc2)c(O)c1 5002261 YPRZVCQLMWVCBU-UHFFFAOYSA-O 242.298 2.396 0 40 BEAB S=C(NCc1cccc(Cl)c1)NC1CC1 6332874 QXFYKPAFOSKPGP-UHFFFAOYSA-N 240.759 2.467 0 40 BEAB CCN(CC)CCNC(=O)Nc1ccc(C)cc1 6462760 RAEDPNRPEVCRNI-UHFFFAOYSA-N 249.358 2.458 0 40 BEAB Cc1ccc(Cl)c(O[C@@H]2CCNC2)c1 14632109 DNEFJUMNUGTKAY-SECBINFHSA-N 211.692 2.389 0 40 BEAB Sc1nncn1Cc1ccc(Cl)cc1 16970953 BGBBLYLQGHACDP-UHFFFAOYSA-N 225.704 2.269 0 40 BEAB CC(=O)c1ccc(N2CCO[C@@H](C)C2)cc1 19871018 MILOLCCSOYVTEC-JTQLQIEISA-N 219.284 2.114 0 40 BEAB CCC[C@@H](C)CNC[C@@H]1CCCN1CC 20091974 VLHUPRHZIXLLKF-OLZOCXBDSA-N 212.381 2.497 0 40 BEAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CC1 20104467 QJTQNMGDSWMAPV-CYBMUJFWSA-N 249.310 2.131 0 40 BEAB Cc1ccccc1CNCCN1CCCC1 20126735 HYGIFRLGZLGAFA-UHFFFAOYSA-N 218.344 2.180 0 40 BEAB CCOc1cc2c(cc1NC(C)=O)O[C@@H](C)C2 21841117 MASVGFZIPQABDU-QMMMGPOBSA-N 235.283 2.367 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@H](C)N)cc1OC 36056707 HYRHCZXUDHOWNL-JMJZKYOTSA-N 221.300 2.155 0 40 BEAB O=C(NC1(C(=O)O)CCCCCC1)C1CCC1 36947305 NHOFSXOVXRXEPC-UHFFFAOYSA-N 239.315 2.080 0 40 BEAB Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1C 39225906 ZBADHEIPBRJUFQ-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(N)cc(N)c1 40295141 BPHAAFREIMMNSE-AOOOYVTPSA-N 247.342 2.254 0 40 BEAB CCC(=O)NCc1cccc(CN2CCCC2)c1 47495642 YKEAZYLDKKEJQB-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB COCC(=O)Nc1ccc(OC(F)(F)F)cc1 47871525 ILARISSFFSTYJQ-UHFFFAOYSA-N 249.188 2.170 0 40 BEAB Cc1nccn1CCNC(=O)Nc1ccccc1 49029902 PFMNLUAUAVPULW-UHFFFAOYSA-N 244.298 2.013 0 40 BEAB COc1ccc(C)cc1Nc1cc(N)nc(C)n1 49467335 BNVYRTZPSNTVBT-UHFFFAOYSA-N 244.298 2.428 0 40 BEAB COc1ccc(C)cc1C(=O)N1CCCC1 58296180 HSTAGWCRBXKEME-UHFFFAOYSA-N 219.284 2.240 0 40 BEAB CN1CCN(Cc2ccc(Cl)s2)CC1 60463140 IPNUWFOEYPPXDG-UHFFFAOYSA-N 230.764 2.149 0 40 BEAB CCCNCc1cnc(SCC)nc1 62717298 FMDVOJDLXNHTSN-UHFFFAOYSA-N 211.334 2.088 0 40 BEAB Cc1ccc(-c2ccc(C(=O)O)o2)cn1 62948289 XKSVTAFYQINQGO-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB O=C(OCc1ccccc1)N1CC(CCCO)C1 71864358 BVWXHGOAFMGCKA-UHFFFAOYSA-N 249.310 2.028 0 40 BEAB CC(C)(C)[C@H](O)CCNC(=O)c1cccs1 72242735 ACHIINIUGVBCJN-SNVBAGLBSA-N 241.356 2.275 0 40 BEAB c1ccc2oc(-c3cnc4nonc4n3)cc2c1 78546305 LCSTZJVRGLUAMQ-UHFFFAOYSA-N 238.206 2.426 0 40 BEAB Cc1cc(C(=O)N[C@H](C)C(C)(C)C)on1 78652686 XUWPZEYSMVNSKG-MRVPVSSYSA-N 210.277 2.147 0 40 BEAB NC(=S)c1ccc(Cl)nc1Cl 83344903 GZHHTHHWYAEPOT-UHFFFAOYSA-N 207.085 2.023 0 40 BEAB CC1(C)COC(c2ccc(C(C)(C)O)cc2)=N1 91690247 JOXVSASTHODYSC-UHFFFAOYSA-N 233.311 2.469 0 40 BEAB COc1ccccc1CN1CC[C@]2(CCOC2)C1 93820608 HUTZDZVZOYTBSI-HNNXBMFYSA-N 247.338 2.308 0 40 BEAB CCOc1cc([C@H](C)O)cc(F)c1F 95739427 SLZIVWMMESEQLV-LURJTMIESA-N 202.200 2.417 0 40 BEAB Nc1cc(F)ccc1C(=O)C(F)(F)F 95917755 BUGCPZAVRHFTBI-UHFFFAOYSA-N 207.126 2.153 0 40 BEAB CCc1oc(C(=O)N[C@H](C)c2ncon2)cc1C 97047475 HDZAYMMOSYXUME-MRVPVSSYSA-N 249.270 2.024 0 40 BEAB CC(C)CN1CC[C@@H](CNc2ccccn2)C1 97200658 HIBZCRLCPICSIH-ZDUSSCGKSA-N 233.359 2.471 0 40 BEAB CCn1c(NC(C)=O)nc2cc(F)ccc21 97372085 UGUHFLCMEINCMK-UHFFFAOYSA-N 221.235 2.154 0 40 BEAB Cc1cc(C(=O)O[C@@H]2CCc3cccnc32)on1 195579203 ZZLDMCGQAIWDRI-SNVBAGLBSA-N 244.250 2.222 0 40 BEAB COC(=O)C1=C(Br)CCCC1 196501933 AJGNIFAADXLTAP-UHFFFAOYSA-N 219.078 2.382 0 40 BEAB Cn1cccc1CN1CCCC[C@@H]1c1ccn[nH]1 205688600 LWWFSFGZOVCTJG-CQSZACIVSA-N 244.342 2.475 0 40 BEAB CCOc1ccc(C(=O)[C@H]2C[C@H]2C(=O)OC)cc1 217821723 CZERNZFLRWFAKA-NWDGAFQWSA-N 248.278 2.077 0 40 BEAB C[C@]1(c2ccc(Cl)cc2)CC(CN)=NO1 222551179 RXHVOIDDRDXAMU-LLVKDONJSA-N 224.691 2.290 0 40 BEAB C1=CCN(c2ccnc(C3CC3)n2)CC1 679279784 ISRQSGVKQZPDEU-UHFFFAOYSA-N 201.273 2.120 0 40 BEAB Cc1csc(Cl)c1NC1=NCCN1 2646 CVWILQHZFWRYPB-UHFFFAOYSA-N 215.709 2.081 0 40 BEAB world CCOC(=O)C(C)(C)Oc1ccc(O)cc1 1692803 GYPAUSRXYPLNAP-UHFFFAOYSA-N 224.256 2.113 0 40 BEAB COC(=O)[C@@H](Cc1ccccc1)N1CCCCC1 1698262 ZHDGIWAWWUNORR-CQSZACIVSA-N 247.338 2.257 0 40 BEAB COC(=O)N[C@H](c1ccccc1)[C@H](C)F 1712329 BYYHKRXRSLYAHA-WPRPVWTQSA-N 211.236 2.442 0 40 BEAB C/C(Br)=C(\Br)C(=O)O 2032058 JLOCFBSZCRXEES-NSCUHMNNSA-N 243.882 2.092 0 40 BEAB O=C(Cc1c[nH]c2ccccc12)N1CCCC1 5392391 OEGMOEKMVWSPHW-UHFFFAOYSA-N 228.295 2.333 0 40 BEAB CC(C)S(=O)(=O)NCc1ccccc1Cl 6358534 AKTDAZWTXCUYKZ-UHFFFAOYSA-N 247.747 2.168 0 40 BEAB O=C(CC1CCCC1)NCc1cccnc1 8723337 XEEAFHJNDBAMTQ-UHFFFAOYSA-N 218.300 2.278 0 40 BEAB Cc1nn(C)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 18087462 YWZNTEHWDWSPGT-AOOOYVTPSA-N 235.331 2.132 0 40 BEAB C[C@H]1CCCCN1c1ncccc1C(=O)O 19844579 DVTJGKUPQDZSGT-VIFPVBQESA-N 220.272 2.159 0 40 BEAB COC(=O)Cc1ccc(OC(C)C)cc1 20134232 IXIIOTCCONXDNO-UHFFFAOYSA-N 208.257 2.189 0 40 BEAB Cc1c(N)cccc1C(=O)NC1CCCC1 20194324 LCWRHLWVUWUISD-UHFFFAOYSA-N 218.300 2.250 0 40 BEAB C[C@@H]1[C@@H]2CCCN2CCN1Cc1cccs1 22078243 CHGSFJMZJTVQHP-YPMHNXCESA-N 236.384 2.417 0 40 BEAB O=C(NCCCCn1ccnc1)c1cccs1 25990984 JADYERCEZASDCW-UHFFFAOYSA-N 249.339 2.155 0 40 BEAB CCc1cccc(NC(=O)Cn2ccnc2)c1 29594141 VHMUKXGVWIXABK-UHFFFAOYSA-N 229.283 2.084 0 40 BEAB O=Cc1cccn1CC(=O)Nc1ccc(F)cc1 33508484 XADFQERLLVBCTE-UHFFFAOYSA-N 246.241 2.078 0 40 BEAB Cc1ccc(CNCCN2CCCC2)cc1C 34993528 UFYWEIKEFYZHQM-UHFFFAOYSA-N 232.371 2.489 0 40 BEAB COc1ccc(C(F)(F)F)cc1CN 36927006 YZXMLHJVUWEAKE-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB COC(=O)c1ccc(-c2ccccc2N)nc1 38531468 ALLZKESLYQKDHC-UHFFFAOYSA-N 228.251 2.117 0 40 BEAB COC(=O)Cc1coc2cc(C)ccc12 39893078 CVQTWKUKVWWMKH-UHFFFAOYSA-N 204.225 2.457 0 40 BEAB O=C(NCc1ccc[nH]1)c1cccs1 41535849 SHIVANNFTVUTHE-UHFFFAOYSA-N 206.270 2.006 0 40 BEAB CC(C)CNC(=O)c1ccc2nc(N)sc2c1 41629935 DDQHODWOSIUWAY-UHFFFAOYSA-N 249.339 2.264 0 40 BEAB CCn1cc(NC(=O)c2occc2C)ccc1=O 47182150 DUDBIWLVDWBRLX-UHFFFAOYSA-N 246.266 2.022 0 40 BEAB CCNCc1cc(-c2ccc(F)cc2)[nH]n1 50479026 BMTCFWMIPICFAB-UHFFFAOYSA-N 219.263 2.325 0 40 BEAB COC(=O)c1ccc(C(F)(F)F)nc1S 54965093 LOQDGPGMVYBNLK-UHFFFAOYSA-N 237.202 2.176 0 40 BEAB in-vitro CO[C@H](CN)c1ccccc1C(F)(F)F 62711438 OQLNATQLVWUMTQ-SECBINFHSA-N 219.206 2.352 0 40 BEAB O=c1[nH]nc(C2CC2)n1-c1cccc(Cl)c1 65498868 HNQYEBDHQSTAAH-UHFFFAOYSA-N 235.674 2.091 0 40 BEAB CONCc1ccc(Br)cc1 70267732 PBOTUGDVWWCKPQ-UHFFFAOYSA-N 216.078 2.100 0 40 BEAB CCOC(=O)c1nn(CC)c(C)c1Cl 72226904 BWJCTXAGANBMDU-UHFFFAOYSA-N 216.668 2.042 0 40 BEAB CC1(c2cc[nH]n2)CCN(c2ccccn2)CC1 72381756 SOBUEOYHSPSUSC-UHFFFAOYSA-N 242.326 2.363 0 40 BEAB CC[C@H]1CN(Cc2ccno2)CCS1 72862053 RCUKMHFUOTYNNU-JTQLQIEISA-N 212.318 2.002 0 40 BEAB CC(C)(C)c1cn2c(n1)[C@H](C(=O)O)CCC2 74040133 ANJGDYMUTFBMKW-MRVPVSSYSA-N 222.288 2.143 0 40 BEAB C[C@H](N)c1ccc2[nH]c(C3CC3)nc2c1 77297120 AFYMMCOSEWYPHA-ZETCQYMHSA-N 201.273 2.460 0 40 BEAB CC(C)Oc1cccc(C2(O)CCN(C)CC2)c1 79030443 KMFPDXSLXVGKRW-UHFFFAOYSA-N 249.354 2.387 0 40 BEAB N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 82353717 DEDUBZVXFIONOV-QLFBSQMISA-N 230.355 2.246 0 40 BEAB in-vitro C[C@@H](Oc1ccccc1C(N)=O)C(F)(F)F 84139731 IRSTUQFWAGUUKP-ZCFIWIBFSA-N 233.189 2.115 0 40 BEAB Cc1nc(C)c(CNCc2c[nH]nc2C)s1 84148953 JWMWZPHOQCIUPG-UHFFFAOYSA-N 236.344 2.081 0 40 BEAB Cc1cc(C)c2c(c1)OC[C@@H]2CC(=O)O 84771963 ROIYRRVXFBPGEM-VIFPVBQESA-N 206.241 2.254 0 40 BEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CCC[C@H]2C1 89764798 UOLJWEZUSWHMQY-QWRGUYRKSA-N 246.310 2.424 0 40 BEAB O=C1CCc2cc(Br)c(O)cc2N1 91294517 WYOOKLVWUVBNQJ-UHFFFAOYSA-N 242.072 2.039 0 40 BEAB CSCCCNC(=O)N[C@@H](C)c1ccoc1 95421901 MLKAWSQAMSHUSS-VIFPVBQESA-N 242.344 2.393 0 40 BEAB CCOC(=O)C(=O)C(F)(F)c1ccc(F)cc1 95470336 ZMVORBKCFIPUCN-UHFFFAOYSA-N 246.184 2.050 0 40 BEAB Oc1nc(C(F)F)cc(C(F)(F)F)n1 98211556 KFTMDVHYONMGJB-UHFFFAOYSA-N 214.093 2.139 0 40 BEAB CC[C@@H]1C(OC)=C[C@]2(CC)C[C@]1(OC)OC2=O 104235460 WYERYMLJHAVTKA-WQAKAFBOSA-N 240.299 2.243 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 114928069 SUGWGGXZIXQNDM-SFYZADRCSA-N 228.288 2.075 0 40 BEAB CCOC(=O)c1ccc(CNc2ccon2)o1 187892694 MELBIQHJVFQQCK-UHFFFAOYSA-N 236.227 2.056 0 40 BEAB CC(=O)Oc1ccccc1C(=O)C(C)C 203232436 RPSIOIHCEGJYMM-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB CC(C)(C)NC(=O)N1[C@H]2C=CC[C@H]1CC2 208025514 CQBSUQYZPQCIFV-UWVGGRQHSA-N 208.305 2.287 0 40 BEAB Cc1ncc(C(=O)Nc2ccccc2)cn1 222587041 IQDZFSICRRKCMC-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CC(=O)n1cc(C=O)c2cc(C)ccc21 228956673 QSJCJNCRNPMBIR-UHFFFAOYSA-N 201.225 2.422 0 40 BEAB O=C(NCCc1ccco1)c1ccc(F)s1 252488209 INLXSUKYYFUBFQ-UHFFFAOYSA-N 239.271 2.453 0 40 BEAB CN1CCC[C@@H](Cc2cncc(Cl)n2)CC1 257240828 HVINYWYRAUYZGI-SNVBAGLBSA-N 239.750 2.404 0 40 BEAB O=Cc1cc(OC(F)F)c(Cl)cn1 307033381 SOZGAZIUXJCKRA-UHFFFAOYSA-N 207.563 2.149 0 40 BEAB Cc1cccc(C)c1CNC(=O)C(F)F 390833812 NLQCFMALCXMHBG-UHFFFAOYSA-N 213.227 2.185 0 40 BEAB CCOc1nc2cccc(F)c2cc1N 685936914 FJUMROVOPZAINU-UHFFFAOYSA-N 206.220 2.355 0 40 BEAB CC(C)C1(C(=O)O)CCC2(CC1)OCCO2 725688543 BZCZLBYDSOPPTN-UHFFFAOYSA-N 228.288 2.031 0 40 BEAB CC(C)(C)[C@@H]1CSCCN1Cc1cc[nH]n1 931593074 UMLNIJPTCJBNBX-NSHDSACASA-N 239.388 2.373 0 40 BEAB Cc1nnc(O[C@@H]2CCC[C@H]2F)s1 1776009119 IKTAUKQXSHEUFA-RNFRBKRXSA-N 202.254 2.116 0 40 BEAB CCc1ccc(N2CN(CC)CNC2=S)cc1 20190960 LAVQDULIEYSZHS-UHFFFAOYSA-N 249.383 2.180 0 40 BEAB CC[C@@H](CO)N[C@H](C)c1ccccc1OC 20194860 HTJFCOKMDJSZPA-MNOVXSKESA-N 223.316 2.117 0 40 BEAB CCOC(=O)Nc1nc2ccn(C)c2s1 1582579 LSQDBHRMANDFSV-UHFFFAOYSA-N 225.273 2.203 0 40 BEAB C[C@@H]1COCO[C@@H]1c1ccc2c(c1)OCO2 1599426 VSBPRBXTUAKKSY-PELKAZGASA-N 222.240 2.097 0 40 BEAB CCOC(C)(OCC)[C@@H](N)c1ccccc1 1600605 ZFKGUCWEEBUBET-LBPRGKRZSA-N 223.316 2.476 0 40 BEAB Cc1cc(=O)cc(C)n1-c1ccc(O)cc1 168106 MPECBZRQPNPTCM-UHFFFAOYSA-N 215.252 2.160 0 40 BEAB COc1ccccc1-n1cccc1C(=O)O 4228016 JVYZVNLDCWSFGQ-UHFFFAOYSA-N 217.224 2.184 0 40 BEAB CCSc1ncnc2nc(Cl)[nH]c12 4430226 SJGKNYXZMWPNKE-UHFFFAOYSA-N 214.681 2.118 0 40 BEAB COc1ccc2c(c1)nc(CN1CCCC1)n2C 21175570 XVPPOIQAWVGREV-UHFFFAOYSA-N 245.326 2.178 0 40 BEAB O=C(NCc1ccccc1Cl)n1ccnc1 32628659 XOOSGTFXIGLDJV-UHFFFAOYSA-N 235.674 2.294 0 40 BEAB C[C@@H]1C[C@H]1NCc1cc2ccccc2nc1O 52272073 BVQQDSVKWBOVNH-NOZJJQNGSA-N 228.295 2.438 0 40 BEAB Cc1ccc(OCCNC(=O)NCC2CC2)cc1 32909465 ATNYHPKSHYFIOU-UHFFFAOYSA-N 248.326 2.083 0 40 BEAB CN(c1ccc(N)cn1)C1CCCCC1 11757343 NFYSXZBRDRIRER-UHFFFAOYSA-N 205.305 2.433 0 40 BEAB CCc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 40489759 FHCRDRYCSHKKOK-NXEZZACHSA-N 240.372 2.315 0 40 BEAB CC1(C)[C@]2(C)CC[C@]1(CC(N)=S)CC2=O 103708309 UTXWNPUTMIPZSH-VXGBXAGGSA-N 225.357 2.448 0 40 BEAB CCCn1ncc2c(C(=O)O)cc(C3CC3)nc21 12394268 AMFWYYBVTMGMSH-UHFFFAOYSA-N 245.282 2.417 0 40 BEAB O=C(O)C1=NO[C@@H](c2cccc(Cl)c2)C1 12399096 COPXHIMKUIIRKM-SECBINFHSA-N 225.631 2.242 0 40 BEAB COc1ccccc1CN[C@@H]1CCCC[C@H]1O 37490778 MXMLMFXYNJBSSN-CHWSQXEVSA-N 235.327 2.088 0 40 BEAB Cc1csc(SCC(C)(C)O)n1 37697292 FYDUVSWGTURBEN-UHFFFAOYSA-N 203.332 2.315 0 40 BEAB COCc1c(C(=O)OC)oc2ccccc12 3887081 AFQKQVQQYOREBA-UHFFFAOYSA-N 220.224 2.366 0 40 BEAB Cn1cc(C(=O)NCc2cccc(Cl)c2)cn1 8077054 YRKJVHVZZDMKFA-UHFFFAOYSA-N 249.701 2.004 0 40 BEAB Cc1cc(OC[C@@H]2CCCO2)ccc1N 14630787 AVZSQNHTFMVTSN-NSHDSACASA-N 207.273 2.135 0 40 BEAB in-vitro CC(C)OC(=O)c1cc(=O)[nH]c2ccccc12 18142900 PLLXXQKZCCYCPW-UHFFFAOYSA-N 231.251 2.093 0 40 BEAB biogenic O=C(O)c1cccnc1SC(F)(F)F 8728697 HLQHHEJYFJZNNX-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB in-vitro C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)O1 19398952 AXOVDTKFYUKNAE-NXEZZACHSA-N 240.734 2.344 0 40 BEAB CCN(CC1CC1)C(=O)c1ccc2c(c1)OCO2 71899769 HFFYCWBLIYAQLK-UHFFFAOYSA-N 247.294 2.287 0 40 BEAB CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)C12CCC2 89985644 CVVAMTQYUTUXCD-WHOHXGKFSA-N 237.343 2.106 0 40 BEAB Cc1nc(C(=O)O)c(-c2ccccc2)o1 75838776 GEAPKHXZFUKEDK-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro COc1ccc(CN(C)CCCCO)cc1F 95947417 NRXBATGSIFGAOW-UHFFFAOYSA-N 241.306 2.039 0 40 BEAB CC[C@@H](C)NCc1cnc(SC)nc1 62717220 XTWDLIYMPFGZSZ-MRVPVSSYSA-N 211.334 2.087 0 40 BEAB Cc1nn(-c2ccccc2F)cc1C(=O)O 36894449 ZCZUPCVKKLCWEO-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB C/C=C\C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 31418241 UTZAFVPPWUIPBH-DWMUBGRBSA-N 245.278 2.153 0 40 BEAB COc1ccc2c(c1)CC[C@H](C(=O)O)[C@@H]2C 3844067 AJWYLNNVQJYOJL-PELKAZGASA-N 220.268 2.446 0 40 BEAB biogenic CC(=O)N1CCCC[C@@H]1c1ccncc1 72211057 BSOLJXDNRAQYHD-GFCCVEGCSA-N 204.273 2.155 0 40 BEAB Cc1cc(Cn2c(=O)ccc3ccccc32)on1 75144082 CPFWEEKIXGHZNC-UHFFFAOYSA-N 240.262 2.346 0 40 BEAB Cc1cc(N2CCCCCC2)ncc1C(=O)O 72223519 UXQDQWIEAQTQCH-UHFFFAOYSA-N 234.299 2.469 0 40 BEAB CCOC(=O)c1c[nH]c2cc(O)ccc12 89203436 IYOILHQLYJPODQ-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB CCOC(=O)c1cnc(Cl)c(N)c1Cl 40564703 ORXJGLJHMZMKMH-UHFFFAOYSA-N 235.070 2.147 0 40 BEAB COC(=O)c1cc(N)ccc1N1CCCC[C@@H]1C 41079758 VZMGWSRKXSBXMX-JTQLQIEISA-N 248.326 2.434 0 40 BEAB Cc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1 225716411 JFPBLLFPDFWWMS-KGLIPLIRSA-N 216.328 2.326 0 40 BEAB CC(=O)O[C@@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2 239309979 HZJHUAKXMXQRMD-RRFJBIMHSA-N 245.322 2.037 0 40 BEAB CN1CC[C@H](N)c2cc(Cl)ccc2C1 96509720 XIFVNCLCMYZZAH-NSHDSACASA-N 210.708 2.175 0 40 BEAB OCCc1nccc(Cl)c1Br 261507331 HMMJOWNHVJIDQR-UHFFFAOYSA-N 236.496 2.032 0 40 BEAB CCN(CC)CCOc1ccc(O)cc1 1651884 BIIUMCSUBSRPPR-UHFFFAOYSA-N 209.289 2.113 0 40 BEAB O=C1O[C@H](C(F)(F)F)[C@H](C(F)(F)F)O1 113241344 SGGPSSHEWWGIPZ-XIXRPRMCSA-N 224.056 2.015 0 40 BEAB CC(C)(C)c1csc2nc(C(=O)O)cn12 3749187 XQVDKPOJYPVQKX-UHFFFAOYSA-N 224.285 2.392 0 40 BEAB Cn1ncnc1N1CC(c2ccc(Cl)cc2)C1 663974970 MUGJPDSOALVEPX-UHFFFAOYSA-N 248.717 2.072 0 40 BEAB CO[C@@]1(COc2ccccc2C)CCCNC1 585274793 OCBNHEIGMQEHMQ-AWEZNQCLSA-N 235.327 2.142 0 40 BEAB CCc1ccc([C@@H](C)C(=O)N(C)C)cc1 68100595 ZUFPCKDDAZZORP-SNVBAGLBSA-N 205.301 2.441 0 40 BEAB C[C@@H]1C[C@H](N)CN(Cc2ccccc2)[C@@H]1C 68593177 NVIRYIHNKWLTFW-BZPMIXESSA-N 218.344 2.244 0 40 BEAB OCc1oncc1-c1ccccc1Cl 79045468 UNNWGVAXRGONOL-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB CC[C@H](C)c1cnc(CC(C)C)c(=O)[nH]1 16928873 NQUCTITVLHEDIU-VIFPVBQESA-N 208.305 2.482 0 40 BEAB OCCNCCC12CC3CC(CC(C3)C1)C2 2019277 UOZOWNRPSKKJCB-UHFFFAOYSA-N 223.360 2.175 0 40 BEAB CCCCNC(=O)c1cccc(OC)c1OC 1599002 IJUQKMXTGSUKLP-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)N)c1 157437466 GQYGDSBYCKWBAW-GXTWGEPZSA-N 246.354 2.314 0 40 BEAB N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 5604854 JZUCRIVHXYBDDZ-BJMVGYQFSA-N 243.291 2.307 0 40 BEAB NC(=O)[C@@H](NCCC1CCCC1)c1ccccc1 30508960 SHAJVKKYWHHXOS-AWEZNQCLSA-N 246.354 2.383 0 40 BEAB Cc1ccc(C(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 1565555892 ITYVWNIVTJZTLS-SRVKXCTJSA-N 249.310 2.228 0 40 BEAB COc1ccc2nccc(SCC(=O)O)c2c1 1591886 ONLXPKBWQNEVFR-UHFFFAOYSA-N 249.291 2.420 0 40 BEAB in-vitro N[C@H](c1ccccc1)[C@@H](O)c1ccc(O)cc1 1668351 YQLYRTPHCSXQLY-KGLIPLIRSA-N 229.279 2.126 0 40 BEAB O=C(Nc1cn[nH]c1)N[C@@H]1CCc2ccccc21 45305328 OQZKENAZHAOYMF-GFCCVEGCSA-N 242.282 2.219 0 40 BEAB COc1cccc(CNCc2cn(C)nc2C)c1 2536052 GFQYIGOEMZQTGQ-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB COc1cc2c(cc1OC)[C@@H](N)CCC2 6483884 DYZOFLWNJVIOHA-JTQLQIEISA-N 207.273 2.040 0 40 BEAB O=C(Nc1ccc2ccccc2n1)[C@H]1CCCO1 58402077 SZEUGIHAAVLXED-GFCCVEGCSA-N 242.278 2.352 0 40 BEAB Cc1cccc2c3c(cnc12)C(=O)OCCO3 53994752 CEVBCYZTBFVXBE-UHFFFAOYSA-N 229.235 2.092 0 40 BEAB biogenic C[C@H](NC(=O)Nc1nccs1)c1ccccn1 42652263 RPLJAMFXYGJZJP-QMMMGPOBSA-N 248.311 2.421 0 40 BEAB O=C1CCC[C@@H]1C(=O)OCc1ccccc1 33961898 FSJLARHYALYBBD-NSHDSACASA-N 218.252 2.099 0 40 BEAB CN(CCCC(=O)O)c1ccccc1F 50005189 RTLQJQAGMRNJGQ-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB CCC[C@@]1(C)NC(=O)N(Cc2ccccc2)C1=O 47203105 LRGCEQLBESMXDP-CQSZACIVSA-N 246.310 2.297 0 40 BEAB CCCNC(=O)c1ccccc1OCC 1599166 IDQXJFNULLTQBJ-UHFFFAOYSA-N 207.273 2.225 0 40 BEAB CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C)C1 37654975 KKWPFLRUMSAEPL-SRVKXCTJSA-N 226.364 2.199 0 40 BEAB O=C(Nc1ccon1)[C@H]1C[C@H]1c1ccccc1 28226101 OKPSZZHRDPVFOW-QWRGUYRKSA-N 228.251 2.417 0 40 BEAB Cc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1 3388120 XYUJWPIYCUFCTG-UHFFFAOYSA-N 249.310 2.067 0 40 BEAB CC1=NC(=S)N=C1Cc1ccc(O)cc1 409418977 JNHAXTPXFMQLSA-UHFFFAOYSA-N 218.281 2.135 0 40 BEAB CON(C)C(=O)c1cc2ccccc2o1 48341284 HZBLAOKKWJOABJ-UHFFFAOYSA-N 205.213 2.066 0 40 BEAB Cn1ccc(NC(=O)c2cc3ccccc3[nH]2)n1 12946727 UMARRJKNPXWBFU-UHFFFAOYSA-N 240.266 2.154 0 40 BEAB C[C@@]1(c2cc(F)ccc2F)C[C@@H]1C(=O)O 49815099 HVVFKZKWIQXEFG-KCJUWKMLSA-N 212.195 2.327 0 40 BEAB CC[C@H](C)c1ccc(S(=O)(=O)NC)cc1 13948958 BJBFVXVGFMWRFF-VIFPVBQESA-N 227.329 2.108 0 40 BEAB Cc1nc2cc(C(=O)NCC3CC3)ccc2n1C 65608351 BMHNCHLVFKBZKP-UHFFFAOYSA-N 243.310 2.022 0 40 BEAB CC(C)(C)Nc1nc2ccccc2c(=O)[nH]1 5481430 KCOLJSHJPIQGCY-UHFFFAOYSA-N 217.272 2.134 0 40 BEAB Cc1ccc(CO[C@H]2CCCNC2)cc1 14631606 GTCGUFNNLWTNRS-ZDUSSCGKSA-N 205.301 2.264 0 40 BEAB in-vitro COc1ccc(-c2n[nH]c(C)c2CC(=O)O)cc1 19737439 FCBUEYMQURKJKR-UHFFFAOYSA-N 246.266 2.021 0 40 BEAB O=C(O)c1cccc(/C=C/c2ccnnc2)c1 97098196 VWLNEJJTQJFYGG-SNAWJCMRSA-N 226.235 2.345 0 40 BEAB CCN(CCN)Cc1c(F)cccc1Cl 79420153 YOFKOXVKOURBMY-UHFFFAOYSA-N 230.714 2.260 0 40 BEAB N#CC1(C#N)O[C@@H]1c1cccc(Cl)c1 39252262 QHTCMUIWJSESBR-SECBINFHSA-N 204.616 2.197 0 40 BEAB CCOC(=O)CCOc1ccc(F)cc1F 36671001 KXTIHCLJNODHEZ-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB Cc1cc2oc(=O)c(C(=O)O)c(C)c2cc1C 72226070 JXDLRDKDBVZFNM-UHFFFAOYSA-N 232.235 2.416 0 40 BEAB c1ccc(OCCCNCc2ccncc2)nc1 35287232 GLSOYPPCWHIBFF-UHFFFAOYSA-N 243.310 2.035 0 40 BEAB CCN(C)c1ccc([C@@H]2CCCCN2C=O)cn1 72212748 PXBWQPCBUIVIIH-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB O=C(Nc1cccc(F)n1)c1ccccc1 132994304 LXVHVLXLDIYYPE-UHFFFAOYSA-N 216.215 2.473 0 40 BEAB Cc1cc(F)c2nccc(C(=O)O)c2c1 85400024 OLYUNHDMCYQORO-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB NCc1cccc(Oc2nccs2)c1 43558681 IMOWWSGLDUHRQN-UHFFFAOYSA-N 206.270 2.394 0 40 BEAB CCc1n[nH]c([C@H](N)c2ccc(Cl)cc2)n1 95534014 NWGIHQYBKRXELW-SNVBAGLBSA-N 236.706 2.069 0 40 BEAB Brc1ccc(COC[C@H]2CO2)cc1 95096160 MNCVQNPZGWOVMA-JTQLQIEISA-N 243.100 2.365 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CC=CCC3)CC[C@H]2O1 96043594 LGKKOYALEASUJZ-RFQIPJPRSA-N 249.354 2.369 0 40 BEAB COc1ccccc1-c1cnc2ncccn12 42827352 YAECPSWOCLBSMV-UHFFFAOYSA-N 225.251 2.405 0 40 BEAB CC(C)(C)[C@@H](O)CCNC(=O)CC1CCCC1 75157714 BXQATWLZHRGGPD-LBPRGKRZSA-N 241.375 2.480 0 40 BEAB CC[C@H](C(=O)OC)C(=O)c1ccccc1 5598954 CXWXQPHSTDDVEV-JTQLQIEISA-N 206.241 2.069 0 40 BEAB CSc1nc(O)cc(=O)n1C1CCCCC1 13957237 NHRMYGPYHUXFQK-UHFFFAOYSA-N 240.328 2.176 0 40 BEAB CC[C@H](CNCCOC)Oc1ccc(C)cc1 19738048 GAAKDQIPJBBPNV-CYBMUJFWSA-N 237.343 2.388 0 40 BEAB Nc1ccc(-c2nc(-c3ccccn3)no2)cc1 19772021 HQHKEUOUVRKITN-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB NC[C@H](c1ccccc1)[C@@H](CN)c1ccccc1 164957375 SYFQMERGCCDSAG-IYBDPMFKSA-N 240.350 2.471 0 40 BEAB CCCCNC(=O)NCc1nc2ccccc2[nH]1 20032183 QSRUMUCKTBKMCC-UHFFFAOYSA-N 246.314 2.162 0 40 BEAB C[C@@H](C[C@H](C)C(=O)Nc1ccccc1)C(=O)O 345920 XPYGARPDBLWJQB-UWVGGRQHSA-N 235.283 2.372 0 40 BEAB COc1ccc(C(=O)OCC[C@H](C)OC)cc1 1768525 XGIHCPWVDFMFIK-JTQLQIEISA-N 238.283 2.277 0 40 BEAB COC(=O)C[C@@](C)(O)CCCC(C)C 2046475 UBMCXCOBSWZHTL-NSHDSACASA-N 202.294 2.127 0 40 BEAB COc1ccccc1[C@H](CC(N)=O)c1ccco1 5911669 OOVPPLWHQJVSSB-NSHDSACASA-N 245.278 2.296 0 40 BEAB biogenic COc1cc(N)c(OC)c2c(C)cc(C)nc12 8782778 ZHMBNOBHTFXSDM-UHFFFAOYSA-N 232.283 2.451 0 40 BEAB Fc1cccc(COC[C@@H]2CCCNC2)c1 14631101 JAUVDOWETJOQNC-GFCCVEGCSA-N 223.291 2.342 0 40 BEAB CNC(=S)Nc1ncc(Cl)cc1Cl 16189343 OBQSMUZBIILTNO-UHFFFAOYSA-N 236.127 2.305 0 40 BEAB COc1ccc(C(=O)Nc2ccccc2)cn1 16202793 IQDUIOSTZHIGFT-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB Cc1cc(C)cc(-n2cnnc2S)c1 16957956 UEANSFOPIHVIIE-UHFFFAOYSA-N 205.286 2.173 0 40 BEAB COc1ccc(NCc2ccncc2)cn1 19877608 NOZYHJVADJYGDM-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB CCN(CCC[C@@H](C)N)C(=O)OC(C)(C)C 22052751 YGODUYFENNHTJC-SNVBAGLBSA-N 230.352 2.371 0 40 BEAB in-vitro C[C@@H](NC(=O)c1ccoc1)c1cccnc1 32873743 XZUUUVUAWWCDHN-SECBINFHSA-N 216.240 2.166 0 40 BEAB CCOC(=O)c1cc2c3c(ccc2[nH]1)NCC3 34203469 DPVYSBKTFUUGLM-UHFFFAOYSA-N 230.267 2.313 0 40 BEAB Cc1cn2c(C=O)c(Cl)nc2s1 34475756 CFYCBRXFKYRXLM-UHFFFAOYSA-N 200.650 2.170 0 40 BEAB c1ccc(CN2CC[C@@H](NC3CC3)C2)cc1 34973312 HTTXVNRPINIIHA-CQSZACIVSA-N 216.328 2.013 0 40 BEAB in-vitro CCOC(=O)[C@@H]1CCC(=O)c2cccc(F)c21 36439550 BXFOVUZVFGSDDJ-SECBINFHSA-N 236.242 2.449 0 40 BEAB CC[C@H](N)[C@H](O)c1ccc(C(F)(F)F)cc1 36779488 DBHGTVSFCLFFJL-VHSXEESVSA-N 233.233 2.476 0 40 BEAB in-vitro Cc1cccc(C(=O)N2CCSCC2)c1C 40542068 VSUJYJKJODSVNU-UHFFFAOYSA-N 235.352 2.492 0 40 BEAB COc1ccc(N)cc1Oc1ccc(C)nn1 41074864 IOAHBUVNSVJCAZ-UHFFFAOYSA-N 231.255 2.168 0 40 BEAB in-vitro Nc1nc(Nc2ccncc2)nc2ccccc12 41146379 KONQLBAVSAVIIA-UHFFFAOYSA-N 237.266 2.351 0 40 BEAB O=C(O)[C@H]1CCCN1c1ccnc2ccccc12 41719856 KNLDLRFFXJQPKO-CYBMUJFWSA-N 242.278 2.288 0 40 BEAB C[C@@](O)(c1ccc(O)cc1)C(F)(F)F 43368152 WNKAWMMGLNHYRT-MRVPVSSYSA-N 206.163 2.162 0 40 BEAB in-vitro Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2CN)c1 44541754 OCVDQUXFEWTDRW-CYBMUJFWSA-N 246.354 2.257 0 40 BEAB CC[C@H](C)NCCC(=O)OC(C)(C)C 47218956 BCLYOIHYMPCECN-VIFPVBQESA-N 201.310 2.106 0 40 BEAB CCN(Cc1nnnn1C1CC1)C1CCCCC1 47825164 GPBJXQDJEFEDIG-UHFFFAOYSA-N 249.362 2.163 0 40 BEAB CC[C@@H](c1ccccc1)N1CCN(C(C)=O)CC1 57860137 HKZIBDXPSRCYOQ-HNNXBMFYSA-N 246.354 2.302 0 40 BEAB COC(=O)c1occc1CN1CCCCCC1 57948482 IUEBIPVDDVUTJY-UHFFFAOYSA-N 237.299 2.442 0 40 BEAB CC[C@](C)(O)CNC(=O)Nc1ccc(C)cc1 58202466 LFXJAIFDOSRBLE-ZDUSSCGKSA-N 236.315 2.278 0 40 BEAB COC1CCN(C(=O)c2ccc(Cl)o2)CC1 58327799 QXVRVUTYIWCBBH-UHFFFAOYSA-N 243.690 2.184 0 40 BEAB CCc1cccc2c(OCC(=O)OC)ccnc12 64874817 XFLNQLVYEGEFDY-UHFFFAOYSA-N 245.278 2.349 0 40 BEAB NC[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 69978160 IGWBDHFBFYXLQO-SSDOTTSWSA-N 245.109 2.445 0 40 BEAB CC[C@@H]1CC[C@@H](N[C@@H]2CCCN(C)C2)C1 70643549 WCXWZSOZNVKZAE-JHJVBQTASA-N 210.365 2.249 0 40 BEAB COc1ccc(-c2cc(N)nc3[nH]ccc23)cn1 72129044 BLMYSYMJGDYRPX-UHFFFAOYSA-N 240.266 2.216 0 40 BEAB COC(=O)c1ccc([C@H](N)C(F)(F)F)cc1 72195040 BBPNHHDNFRUHRJ-QMMMGPOBSA-N 233.189 2.035 0 40 BEAB Cc1ccc(N(C)S(C)(=O)=O)cc1Cl 79094910 BFJXQTARMZJQNA-UHFFFAOYSA-N 233.720 2.044 0 40 BEAB C[C@@H](NC[C@@H](N)c1ccccc1)c1nccs1 80310468 XRLVYKCVJQZARP-ZYHUDNBSSA-N 247.367 2.494 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1 82321212 HRTXGVAWGLKWRN-GFCCVEGCSA-N 232.327 2.275 0 40 BEAB C[C@@H](N)c1nnc(-c2ccccc2)s1 82532361 LDHQMPZBBRWDJH-SSDOTTSWSA-N 205.286 2.225 0 40 BEAB CCn1c(C)c(CN)c2cc(O)ccc21 82639548 REJIODOMRCNPEQ-UHFFFAOYSA-N 204.273 2.134 0 40 BEAB C[C@@H](NC(=O)c1ccccc1O)C1CCC1 89894235 KUZZINCIZHTIPT-SECBINFHSA-N 219.284 2.311 0 40 BEAB CC(C)CN1C[C@@H](CN)Cc2ccccc21 96510383 LOHCHQSLZBLPDT-GFCCVEGCSA-N 218.344 2.280 0 40 BEAB COC(=O)c1cc(C)c(Br)c(O)c1 96675790 HNRXGPLCJATDDO-UHFFFAOYSA-N 245.072 2.250 0 40 BEAB C=COCCOC(=O)c1cccc2c1ccn2C 97113108 ZJSIRFQRHCSQFI-UHFFFAOYSA-N 245.278 2.495 0 40 BEAB Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2 100025572 CEIRCCADSFHOQD-GHMZBOCLSA-N 234.347 2.165 0 40 BEAB CN1C[C@H](C2CCNCC2)c2ccccc21 107253304 WDFATNYQZFBRIH-CYBMUJFWSA-N 216.328 2.220 0 40 BEAB C[C@@H]1CNc2nn(-c3ccc(F)cc3)c(O)c2C1 110757605 AALXGJJEBGVGPT-QMMMGPOBSA-N 247.273 2.321 0 40 BEAB OC[C@@]12CCC[C@H]1CN(Cc1ccccc1)C2 166491366 HUMHLGKGPBRHRM-GJZGRUSLSA-N 231.339 2.281 0 40 BEAB COCCNCc1cc(C)n(CC(C)C)c1C 223659854 FVDBXTVANFZYST-UHFFFAOYSA-N 238.375 2.497 0 40 BEAB COC(=O)c1ccc(-c2ccccc2)nc1C=O 225735196 UBIBFQCXVUOGIR-UHFFFAOYSA-N 241.246 2.348 0 40 BEAB CN1CCN(c2ccccc2-n2cccc2)CC1 226245454 SHBUPPYLFKQODN-UHFFFAOYSA-N 241.338 2.229 0 40 BEAB CC(C)COc1nccc(N)c1Br 242701706 WLMMGSBJCNEIDM-UHFFFAOYSA-N 245.120 2.461 0 40 BEAB CN(CCC(=O)O)[C@@H]1CCc2ccc(F)cc21 262634620 HTQUGVVLSAJMDS-GFCCVEGCSA-N 237.274 2.220 0 40 BEAB CC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390829331 DQSKZZWUUPBVAU-RYUDHWBXSA-N 246.310 2.002 0 40 BEAB COc1ccc(C(=O)N2CC(C(F)F)C2)cc1 585390860 CXUSWNZKLNXVGK-UHFFFAOYSA-N 241.237 2.032 0 40 BEAB Cc1cc(OCC2CC=CC2)n2nccc2n1 585654839 MXSHTZUZINNRRI-UHFFFAOYSA-N 229.283 2.383 0 40 BEAB CCn1nccc1-c1cc(C)c2c(c1)CC(=O)N2 649432790 TXDRJOKMDCFXIW-UHFFFAOYSA-N 241.294 2.373 0 40 BEAB CCC(=O)NCCc1c[nH]c2ccccc12 352027 JIKOBZRNRCOBRY-UHFFFAOYSA-N 216.284 2.237 0 40 BEAB biogenic O=C(O)c1ccncc1C(=O)c1ccccc1 401320 FMKKUXDBNQVCRO-UHFFFAOYSA-N 227.219 2.011 0 40 BEAB Cc1cc(S(=O)(=O)O)cc(C(C)(C)C)c1O 1621208 HRFNCMWDXIEAJA-UHFFFAOYSA-N 244.312 2.245 0 40 BEAB O=C(OC1CCCCC1)C1(O)CCCC1 1687911 SWRNQIPNJNOJFR-UHFFFAOYSA-N 212.289 2.167 0 40 BEAB CCNC(=O)Oc1cccc(NC(=O)CC)c1 1756378 BNNPADJPLHZFFP-UHFFFAOYSA-N 236.271 2.143 0 40 BEAB COc1cc2[nH]ccc2c(OC)c1OC 2564148 FNWFSPKNRALFKC-UHFFFAOYSA-N 207.229 2.194 0 40 BEAB in-vitro CCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4403608 NFQHZOZOFGDSIN-UHFFFAOYSA-N 238.203 2.311 0 40 BEAB biogenic O=C(N=c1[nH]c2ccccc2[nH]1)C1CCCC1 6140146 BYJRXALHLIXPDV-UHFFFAOYSA-N 229.283 2.114 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(OC)cc1N 8703569 DRVSHSGIAPRYAD-QMMMGPOBSA-N 222.288 2.262 0 40 BEAB C[C@H](O)CCc1ccc(CC[C@@H](C)O)cc1 13402446 PGVYPRLLNJJHIG-TXEJJXNPSA-N 222.328 2.313 0 40 BEAB biogenic O=C(Nc1cccc2nsnc12)C(F)(F)F 17083469 RYAYOQMHJCJCAB-UHFFFAOYSA-N 247.201 2.192 0 40 BEAB C[C@H]1CCCN(CN2CCC[C@@H](C)C2)C1 19202611 KLFHRQOZJWCFOI-BETUJISGSA-N 210.365 2.408 0 40 BEAB CC1=C(O)C(=O)O[C@H]1C(Cl)(Cl)Cl 19851777 BCWOXLUSWLFSPU-SCSAIBSYSA-N 231.462 2.114 0 40 BEAB O=C(O)c1ccc(N2CCCC2)c(F)c1 20079726 HXPJLYBFMBIXKY-UHFFFAOYSA-N 209.220 2.124 0 40 BEAB in-vitro Cc1cc(Br)c(C=O)cc1O 21298925 PTADUWLAIGTDNR-UHFFFAOYSA-N 215.046 2.276 0 40 BEAB CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 21557351 KPRSAUFJTJAJBF-CQSZACIVSA-N 249.310 2.291 0 40 BEAB C=C1C([N+](=O)[O-])=CN(C)c2ccccc21 23002838 MWNHERWQJOVGRV-UHFFFAOYSA-N 202.213 2.268 0 40 BEAB C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1 26897366 SWXCVJNYASROGT-ZETCQYMHSA-N 219.206 2.498 0 40 BEAB Cc1ccc(NC(=O)NC[C@H]2CCCNC2)cc1 35056443 VXBTULRBWHCYSC-LBPRGKRZSA-N 247.342 2.116 0 40 BEAB in-vitro CCOC(=O)c1cnc2ncccc2c1Cl 35269763 APBWURPIPJQHOA-UHFFFAOYSA-N 236.658 2.460 0 40 BEAB CC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 37695105 MQZMQRPCNLHVND-KGLIPLIRSA-N 249.310 2.327 0 40 BEAB CC(=O)Oc1ccc(O)c(Br)c1 39957464 ICDSCYXTYJSVTP-UHFFFAOYSA-N 231.045 2.080 0 40 BEAB Clc1ccccc1COC[C@H]1CCNC1 42771817 MPCVHHBWFYFXHE-JTQLQIEISA-N 225.719 2.466 0 40 BEAB CCOC(=O)c1c[nH]c2cc(F)ccc12 44200674 LFXOAQJQPSBULX-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB O=Cc1c[nH]c2nccc(C(F)(F)F)c12 44700131 GUXCPXQMTRHCEV-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB O=C(O)c1c(F)ccc(OC(F)F)c1F 47203225 RCXSQVVWMWIXDL-UHFFFAOYSA-N 224.109 2.264 0 40 BEAB in-vitro C[C@H]1C[C@H]1C(=O)NCCCN1CCCCCC1 57288881 JHKGLUMAXBHWOZ-QWHCGFSZSA-N 238.375 2.025 0 40 BEAB Cc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 70020519 KULZDUZAEMEPPT-JSGCOSHPSA-N 246.354 2.081 0 40 BEAB CCNC(=O)c1ccc2c(c1)CCCC2 70192869 JSUXFVPXLWUGAU-UHFFFAOYSA-N 203.285 2.315 0 40 BEAB CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CC1)[C@@H]2N 71373356 UVLGMZFCEXVMIG-KWBADKCTSA-N 240.347 2.171 0 40 BEAB CCOCCSc1nsc(Cl)n1 71980753 OVIIDWNAJYDZAI-UHFFFAOYSA-N 224.738 2.320 0 40 BEAB CC(C)Oc1ncccc1[C@H]1CCCN1 72211942 XCFLCPBMSUBXAH-LLVKDONJSA-N 206.289 2.293 0 40 BEAB CC[C@H](N)c1cnc(N2CCCC2)c(C)c1 72222442 MBXCDFKETHOOFO-LBPRGKRZSA-N 219.332 2.400 0 40 BEAB CCN(CC)c1ccc([C@H](C)O)c(C)n1 72224303 VNHXGGOIBVCLLQ-JTQLQIEISA-N 208.305 2.290 0 40 BEAB O=C1C[C@H](c2ccccc2)SC(=O)N1 72397725 RYUNWBGPJCWGPJ-MRVPVSSYSA-N 207.254 2.101 0 40 BEAB C[C@H](SCc1ccccc1)C(=O)N(C)C 72749771 OPWJUJCMHQLAMI-JTQLQIEISA-N 223.341 2.397 0 40 BEAB CC[C@H]1CN(Cc2cnc(C)cn2)CCS1 78947903 XQQRXPKCDWLJIY-LBPRGKRZSA-N 237.372 2.112 0 40 BEAB CN1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 82324279 ZDVXCFPUDGMJII-SNVBAGLBSA-N 236.290 2.106 0 40 BEAB CCOC(CCN1CCCCC1)OCC 82486422 JMOIBTMVTGFQCR-UHFFFAOYSA-N 215.337 2.262 0 40 BEAB in-vitro CC(C)(C)ONC(=O)[C@@H]1COc2ccccc2C1 89694322 HBEJGRVFVAXAEZ-NSHDSACASA-N 249.310 2.084 0 40 BEAB O=C(c1cccnc1)N1C[C@H]2CC=CC[C@@H]2C1 89793922 MEVOERMGEUBWFW-CHWSQXEVSA-N 228.295 2.120 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@H]2CCCN[C@@H]2C)c1 91496545 URYYTKGBFRLNNV-OCCSQVGLSA-N 246.354 2.174 0 40 BEAB CC(=O)N1C[C@H](CCC(=O)O)c2ccccc21 95829662 XSWZWXKJMUNFPF-JTQLQIEISA-N 233.267 2.002 0 40 BEAB in-vitro Cc1ccc(CN2CCCC[C@@H]2CN)cc1F 96320094 YSUGNFZYKJKBSM-CYBMUJFWSA-N 236.334 2.447 0 40 BEAB CCCC[C@@H](CCC)NC(=O)N1CCOCC1 96452413 NCNWOQVKVQLTRC-GFCCVEGCSA-N 242.363 2.387 0 40 BEAB CCc1ccc([C@@H](NCC(N)=O)C(C)(C)C)o1 96491813 PDXNIAIYVZVUBS-GFCCVEGCSA-N 238.331 2.004 0 40 BEAB N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 100455199 KIDIWSPNMARBQG-XUXIUFHCSA-N 245.322 2.103 0 40 BEAB in-vitro FC1(F)CNCC[C@H]1Cc1ccccc1 107274400 NRSCADZQCJELQE-NSHDSACASA-N 211.255 2.474 0 40 BEAB CC(C)Oc1nccnc1NCc1ccncc1 130603314 AWMXXODWNSOHMF-UHFFFAOYSA-N 244.298 2.271 0 40 BEAB COc1ccccc1-c1nocc1CCC(=O)O 169676697 JQNMWUJGPQBJNK-UHFFFAOYSA-N 247.250 2.367 0 40 BEAB CCCC(=O)N1CCC[C@H](c2nccc(C)n2)C1 205699201 XGUGGLKGJFDJLT-LBPRGKRZSA-N 247.342 2.291 0 40 BEAB CN1C[C@H](C(=O)O)[C@H](c2ccccc2Cl)C1 217665796 HCJHMZIYDMKGHF-UWVGGRQHSA-N 239.702 2.070 0 40 BEAB CCO[C@@H](Cc1cc(C)cc(C)c1)C(=O)O 225038129 OAOORGFSXCCSKR-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB CC1(C)Cc2ccccc2/C(=C\C(=O)O)N1 225747262 GHWFVBXPSORZCJ-YRNVUSSQSA-N 217.268 2.036 0 40 BEAB Cc1cc(NC(N)=S)c2ccccc2n1 228977941 ICWKIFDJMKLKAG-UHFFFAOYSA-N 217.297 2.199 0 40 BEAB COc1cc2c(cc1Br)C(=O)CO2 238395540 FLMGERIKVIKEQL-UHFFFAOYSA-N 243.056 2.033 0 40 BEAB Cc1cnn(C)c1NCc1cnn(C(C)C)c1 256052209 MJAAHTKTCWLIDG-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1cccc(Nc2ccc(N)cc2C(=O)O)n1 408712675 GSOGPRKSSIAPQE-UHFFFAOYSA-N 243.266 2.414 0 40 BEAB CCn1ccc(COCCC(F)(F)F)n1 408715517 BKPBXHGUPMKADF-UHFFFAOYSA-N 222.210 2.372 0 40 BEAB CO[C@H]1CN(C(=O)CSC(C)C)CC[C@H]1C 527135254 WJJQDDRBGGMCLH-MNOVXSKESA-N 245.388 2.011 0 40 BEAB C[C@@H]1CN(CC2CC(C)(C)C2)CCC1=O 528460803 RCYYTURFHROIKV-SNVBAGLBSA-N 209.333 2.334 0 40 BEAB CCc1nc2c(=O)[nH]c3ccccc3c2o1 368722 RLPXVZNCDPARAF-UHFFFAOYSA-N 214.224 2.232 0 40 BEAB Cc1nc2ccccc2nc1C[n+]1ccccc1 381972 NFSMPTVWTRRPFF-UHFFFAOYSA-N 236.298 2.274 0 40 BEAB CC[C@@H](C(=O)NC1CC1)c1ccccc1 1480333 BRLNPWGINYASHE-GFCCVEGCSA-N 203.285 2.459 0 40 BEAB OC[C@@H](c1ccccc1)[C@@H](O)Cc1ccccc1 1703743 HVZQCETZYHCKCP-HOTGVXAUSA-N 242.318 2.366 0 40 BEAB Cc1cc(C)cc(-n2nc(C)cc2N)c1 3300000 ZKWCQOGKTAHXKC-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB in-vitro C1CC[C@@H]2[C@@H](C1)CCC[C@@H]2NC1=NCCO1 5189949 ARGKDOYQHZOQEK-TUAOUCFPSA-N 222.332 2.321 0 40 BEAB COc1ccc(CNC2CCC(O)CC2)cc1 6602995 PSZXMIDXIABKFL-UHFFFAOYSA-N 235.327 2.088 0 40 BEAB Cc1nnc(S[C@H](C)C(=O)c2ccccc2)[nH]1 11710106 IWRDKGMOROSCON-MRVPVSSYSA-N 247.323 2.477 0 40 BEAB N/N=c1\[nH]c(-c2ccc(Cl)cc2)cs1 18037293 SUXRTSWWXJPDLW-UHFFFAOYSA-N 225.704 2.171 0 40 BEAB Cc1cc(=S)[nH]c(N2CCCCC2)n1 19798003 QDXVGSVVRFWCDA-UHFFFAOYSA-N 209.318 2.438 0 40 BEAB NCC1(c2cccc(Cl)c2)CCC(O)CC1 20443377 HMDUJAKYIFZHBL-UHFFFAOYSA-N 239.746 2.471 0 40 BEAB Cc1cc(C)c([C@@H](C)NS(C)(=O)=O)cc1C 22540320 XZARZVYUGZDWOW-LLVKDONJSA-N 241.356 2.222 0 40 BEAB C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1 29728984 LCSKDHAOQPQIAV-UWVGGRQHSA-N 233.315 2.240 0 40 BEAB CON(C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 32779839 GLBJLWSUWLKIHN-UHFFFAOYSA-N 232.283 2.418 0 40 BEAB O=Cc1cc(OCc2ccccc2)no1 33835252 URPLDQSNOHMLIP-UHFFFAOYSA-N 203.197 2.066 0 40 BEAB NCc1ccc(C(=O)Oc2ccccc2)cc1 33979686 OOBIUDUMRRVFCK-UHFFFAOYSA-N 227.263 2.365 0 40 BEAB NCC1(c2ccccc2)CCC2(CC1)OCCO2 35630115 IHVLVGYHVPQYKR-UHFFFAOYSA-N 247.338 2.200 0 40 BEAB Cc1cn(Cc2cccc(F)c2F)nc1N 35655707 BFYKXFPQPOHDDS-UHFFFAOYSA-N 223.226 2.100 0 40 BEAB COC(=O)C[C@@H](C)N[C@@H](C)c1ccccc1 35747503 QRAFHBCFBWYWHQ-MNOVXSKESA-N 221.300 2.289 0 40 BEAB COc1ccc(-c2ccc(OC)nc2)cn1 38293494 KAXHWXGWCLMXDM-UHFFFAOYSA-N 216.240 2.161 0 40 BEAB CC(C)OCCCNC(=O)c1ccccc1F 40161078 ZZYQWTWEMDLMOF-UHFFFAOYSA-N 239.290 2.371 0 40 BEAB Cc1cc(=O)c2cc(F)cc(F)c2n1C 40164093 MKLZAPFRDVVVIE-UHFFFAOYSA-N 209.195 2.125 0 40 BEAB O=C(Nc1ccc2nc[nH]c2c1)c1cccnc1 40266913 GKKBMAWWJWCNRH-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB COCCSCC(=O)N[C@H]1CCC[C@H](C)C1 40508871 LKFPSBHBQCEICC-QWRGUYRKSA-N 245.388 2.061 0 40 BEAB C[C@@H](CNCc1ccco1)C(=O)OC(C)(C)C 47219026 GWZNVTPAJOAVCD-JTQLQIEISA-N 239.315 2.347 0 40 BEAB C[C@@H](CNC(C)(C)C)C(=O)OC(C)(C)C 47219146 WTSKXLVCKPVEPI-VIFPVBQESA-N 215.337 2.352 0 40 BEAB CNC[C@H](OC(C)C)c1ccc(OC)cc1 50483394 USZXBURDLLGQGR-ZDUSSCGKSA-N 223.316 2.381 0 40 BEAB CCOc1c(N)cc(Cl)cc1C(=O)OC 57332074 TVGRYNNKIWNJOH-UHFFFAOYSA-N 229.663 2.108 0 40 BEAB Nc1ccc(-c2ccc(C(=O)O)o2)cc1 57353714 PKDGUPGRSRORJZ-UHFFFAOYSA-N 203.197 2.227 0 40 BEAB O=C(O)[C@H]1Cc2c(Cl)cccc2S1 62712014 DEXIXUHOXHEGAO-MRVPVSSYSA-N 214.673 2.441 0 40 BEAB CC(C)CNC(=O)c1cc(F)c(F)c(F)c1 63010235 JPBAPQSROVDLSY-UHFFFAOYSA-N 231.217 2.490 0 40 BEAB CC(C)OCC(=O)N1CCC[C@@H]1c1ccccn1 68117905 WIOJUMAILOTBCU-CYBMUJFWSA-N 248.326 2.170 0 40 BEAB OC[C@H](c1ccc(F)c(F)c1)N1CCCCC1 70453250 JPGONXUVIJCZQD-CYBMUJFWSA-N 241.281 2.484 0 40 BEAB CC(C)NCc1ccc(Br)nc1 72194558 AQEKUJFBABSCRI-UHFFFAOYSA-N 229.121 2.342 0 40 BEAB CC[C@@H](N)c1cnc(N(C)CC)c(C)c1 72222207 AFYURQCSXRWFML-LLVKDONJSA-N 207.321 2.256 0 40 BEAB CN(C)C(=O)c1ccc(N)c2ccccc12 72227015 RMGXASFJPPQJNB-UHFFFAOYSA-N 214.268 2.124 0 40 BEAB FCCCOC(OCCCF)OCCCF 72265728 XQUBPTRLPUDMII-UHFFFAOYSA-N 244.253 2.399 0 40 BEAB C=CC(=O)NCC(=O)c1cccc2ccccc12 79645633 UHAXNFKXQMWOIY-UHFFFAOYSA-N 239.274 2.325 0 40 BEAB CC(C)COc1ncc(Br)cn1 82663834 MEIADTWPWWGKEP-UHFFFAOYSA-N 231.093 2.274 0 40 BEAB C[C@H](Cn1cccn1)OC(=O)c1cccs1 83798602 VIUQGXWZXLZDDW-SECBINFHSA-N 236.296 2.190 0 40 BEAB COc1ccc(Cl)cc1-c1[nH]ncc1N 84497946 OZAROEFIZBSZKQ-UHFFFAOYSA-N 223.663 2.321 0 40 BEAB CCC[C@@H]1CCCC[C@H]1NC(=O)COCC 84740619 ISYWTVBTJQEQGZ-VXGBXAGGSA-N 227.348 2.498 0 40 BEAB Cc1cc2nc(C(=O)O)ccc2cc1F 85399914 MGMAQAIBIWUHSY-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB CCc1cc2ncc(Br)cn2n1 95483700 PTCJTOGJYGMUMQ-UHFFFAOYSA-N 226.077 2.054 0 40 BEAB O=C(CO)N[C@@H](CC1CCC1)c1ccccc1 96496665 KCTYEIHMPMYFGE-ZDUSSCGKSA-N 233.311 2.026 0 40 BEAB CC(C)Cn1c([C@@H](C)N)nc2cnccc21 96510507 NGWGCAAUZTVXOA-SECBINFHSA-N 218.304 2.107 0 40 BEAB Cc1cccc([C@@]2(C(=O)O)CC2(F)F)c1 96515573 VFRCSWBZBZWREG-SNVBAGLBSA-N 212.195 2.356 0 40 BEAB CCO[C@@H](C)c1nccn1C[C@H]1CCCO1 97378334 GIEUHGHMXAXHPG-WDEREUQCSA-N 224.304 2.160 0 40 BEAB CNC(=O)c1coc(-c2csc(C)n2)c1 98009399 WUOYJCTVLZFXLE-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB CCOc1cc(C)ccc1CC(=O)OC 106679897 ZNUGXAASJXKGHB-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB COc1cccc2c(NCCCN)cc(C)nc12 222689825 WJIZFSGTJGTEOL-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB CCCCCN1CCN[C@@H]2CCCC[C@@H]21 225711532 VUAWENVOQGLHJL-OLZOCXBDSA-N 210.365 2.393 0 40 BEAB CC(C)Oc1nn(C)c2cc(C=O)ccc12 225773591 SGIUHLZPZKMYBM-UHFFFAOYSA-N 218.256 2.173 0 40 BEAB CCN(CC)c1ccc(NC)cc1C(=O)OC 226276523 AYPAMMKMZKFBNR-UHFFFAOYSA-N 236.315 2.361 0 40 BEAB CCCNC(=O)c1cn(-c2ccc(F)cc2)cn1 226848993 QRAMXFRWNBLYGG-UHFFFAOYSA-N 247.273 2.151 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)CO 228982621 OVEVDEOBJBFKSD-LPWJVIDDSA-N 213.365 2.418 0 40 BEAB CCc1cc(NC(=O)[C@H]2CC23CCC3)no1 675334544 QWPCVUNVXFJXNM-SECBINFHSA-N 220.272 2.366 0 40 BEAB O=C(NC1CCCCCCC1)c1ccc(=O)[nH]c1 1025724 REVXRUKAQICOEX-UHFFFAOYSA-N 248.326 2.218 0 40 BEAB CCCc1nn2c(-c3ccccc3)nnc2o1 1659794 VJXVZXFYPIBJEA-UHFFFAOYSA-N 228.255 2.337 0 40 BEAB CCCCCN1C(=O)CC(C(=O)OCC)=C1C 1687947 MVBHHFYRNIRTFH-UHFFFAOYSA-N 239.315 2.246 0 40 BEAB CCCCC[C@H]1CCC(=O)O[C@H]1OC(C)=O 1714938 XXBSZTCPBJFCGA-CMPLNLGQSA-N 228.288 2.409 0 40 BEAB OC1(c2ccc3cn[nH]c3c2)CCSCC1 2526928 IIXNPLQBOGAXCC-UHFFFAOYSA-N 234.324 2.278 0 40 BEAB COc1c(C)c(C)c(OC)c2c1CC2=O 3847827 CXTYAGLKPDMAQP-UHFFFAOYSA-N 206.241 2.059 0 40 BEAB biogenic C[C@H](CCc1ccco1)N(C)C(=O)N(C)C 5557435 VDZGFEAVYDLUOC-SNVBAGLBSA-N 224.304 2.214 0 40 BEAB O=S(=O)(c1ccccc1F)N1CCCCC1 6528719 QQAIMWXLPOAROP-UHFFFAOYSA-N 243.303 2.000 0 40 BEAB COc1cc(N)c2ncccc2c1Cl 11535699 GPRLNQZKYHNBCL-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB CC(C)[C@@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 11864819 GOUFZXZRYVCGNY-AXFHLTTASA-N 213.321 2.074 0 40 BEAB CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 13011744 JWMDRRQNALENEU-JOYOIKCWSA-N 246.310 2.031 0 40 BEAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC 20106993 UCWFVETXVHNRFW-NSHDSACASA-N 221.300 2.207 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(F)c(N)c1 20157387 NTCFLQJGZQIKMH-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB CN(C(=O)C(C)(C)C)c1cccc(CC(=O)O)c1 20227201 GYMOZUHMWNLFIK-UHFFFAOYSA-N 249.310 2.323 0 40 BEAB COC(=O)c1ccccc1Cn1cccc1 20447487 ZNAIKSBTRKMPKO-UHFFFAOYSA-N 215.252 2.323 0 40 BEAB CC(C)c1ccc(OCc2nnc(N)o2)cc1 26473059 NQJYICOPYIIZGJ-UHFFFAOYSA-N 233.271 2.354 0 40 BEAB CCc1c(C)nn(Cc2ccccc2)c1N 26512140 CFNSMMCQTSYVQB-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB COc1cccc([C@@H](CN)N2CCCCC2)c1 32497036 RLNXEHGLANHPOL-CQSZACIVSA-N 234.343 2.181 0 40 BEAB O=C(O)[C@@H](c1c(F)cccc1F)N1CCCC1 37360196 AZMKQCBJJOPXLY-LLVKDONJSA-N 241.237 2.186 0 40 BEAB CCn1cc(C=O)c(-c2ccccc2)n1 41043563 YKCPYVUELNKYJD-UHFFFAOYSA-N 200.241 2.383 0 40 BEAB CC[C@H](C)NC(=O)c1nnc(-c2ccccc2)o1 41124404 VYGJFRNYKJIDON-VIFPVBQESA-N 245.282 2.265 0 40 BEAB CC[C@H](N)Cc1cn(C)c2ccccc12 44403347 QCCHEOSPOWQOMQ-NSHDSACASA-N 202.301 2.458 0 40 BEAB in-vitro Cc1cc(NC(=O)COc2ccccc2)sn1 44454004 DEOVVBKDGFGHSB-UHFFFAOYSA-N 248.307 2.469 0 40 BEAB COc1cc2cc(C=O)cnc2cc1OC 47841548 SYZJYWHCZGHEKY-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB CCCS(=O)(=O)N[C@H](C)c1cccs1 48955636 NQCIZKFIIHGZLG-MRVPVSSYSA-N 233.358 2.139 0 40 BEAB CC(=O)c1cnc(-c2ccncc2)nc1C 54962413 ASTJBFCPBMEAKD-UHFFFAOYSA-N 213.240 2.050 0 40 BEAB N=C(N)COc1ccc2ccccc2c1 55364101 DLABYNNXXHZKKW-UHFFFAOYSA-N 200.241 2.155 0 40 BEAB CCc1noc(CN2CCCC[C@H]2CC)n1 58283195 RPKPDZWWELXKDR-SNVBAGLBSA-N 223.320 2.397 0 40 BEAB CCOC(=O)c1cnc2cccc(OC)c2c1 59870819 XONDRXDQBKBWSB-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB COC[C@H](N)c1cccc(OC(F)(F)F)c1 61703675 RJBRTBNTQLCNFE-VIFPVBQESA-N 235.205 2.231 0 40 BEAB Cc1ccccc1[C@@H]1NC(=O)c2cccnc2N1 65606879 CLDKDMSNTHNRHP-ZDUSSCGKSA-N 239.278 2.244 0 40 BEAB CCCNC(=O)CCNc1ccccc1 69382782 NOZSHBCMGVZEOV-UHFFFAOYSA-N 206.289 2.015 0 40 BEAB Nc1ncccc1C(=O)c1ccc(F)cc1 69844526 JNDCNNCJGFPSJF-UHFFFAOYSA-N 216.215 2.034 0 40 BEAB in-vitro N[C@H](Cc1cc(Cl)sc1Cl)C(=O)O 71778220 VORSHCWTZIFIRK-SCSAIBSYSA-N 240.111 2.009 0 40 BEAB COc1ccc(C(=O)NCCCC(C)C)cn1 71800824 RSFNEEKNZBZEFG-UHFFFAOYSA-N 236.315 2.256 0 40 BEAB Cc1cc(C)c(I)c(N)c1 72193668 BFJKCILJUAHZBX-UHFFFAOYSA-N 247.079 2.490 0 40 BEAB Cc1ccc([C@H]2CCCCN2C=O)cn1 72211269 RAUZIGLFYIAIBK-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccs1 72304776 UWPICSKCXNDEAQ-BDAKNGLRSA-N 240.328 2.031 0 40 BEAB O=C(Nc1cnccc1C(=O)O)c1ccccc1 83753862 NBRGBJYDSHESTK-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB in-vitro COC(=O)COc1cc(Cl)ccc1C 84057841 LPMCIMPPZVHJSX-UHFFFAOYSA-N 214.648 2.200 0 40 BEAB COc1cccc(N2CCCC[C@H]2C(=O)O)c1 84531383 CEAUWTVAHFYLKW-LBPRGKRZSA-N 235.283 2.139 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)O1 85394747 GUKUDXDKOLRVKP-SCZZXKLOSA-N 240.642 2.029 0 40 BEAB O=C(O)c1ccc2c(c1)[C@H](C1CCOCC1)CN2 91304302 MUXARBCAQJVQFW-LBPRGKRZSA-N 247.294 2.321 0 40 BEAB in-vitro FC(F)(F)COc1cnnc(Cl)c1 91366154 JXLUXGPKQTUEJS-UHFFFAOYSA-N 212.558 2.071 0 40 BEAB COc1ccc2c(N)c(C)c(C)nc2c1 95534959 AFGHUVKZCJJWES-UHFFFAOYSA-N 202.257 2.442 0 40 BEAB CC[C@@H]1CCN(C(=O)Nc2ccncc2F)C1 95940269 VDYSSZPDPSGXAZ-SECBINFHSA-N 237.278 2.485 0 40 BEAB CSc1c(F)cc(NC(N)=O)cc1F 97107721 PGSLXCRPIAXGQW-UHFFFAOYSA-N 218.228 2.177 0 40 BEAB Cc1nccn1CCCNC[C@H]1C[C@H]2C=C[C@H]1C2 102685721 BKLYYGDFUQLEKM-SOUVJXGZSA-N 245.370 2.383 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2N1Cc1ccccc1 104149245 MNPJKVXUZODWKO-XDQVBPFNSA-N 227.307 2.444 0 40 BEAB COc1cc2c(c([N+](=O)[O-])c1OC)C[C@@H]1C[C@@H]21 105923821 QEIJOZIJVWLNGV-NKWVEPMBSA-N 235.239 2.272 0 40 BEAB CC[C@@H]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 148364100 AREPFWVWZHSJPD-BDAKNGLRSA-N 243.303 2.249 0 40 BEAB COc1c(F)cc(C=O)cc1Br 149505517 QQSOKNIUOFMGHE-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB Nc1cc(C(F)F)nc(C(F)(F)F)n1 217638511 PABZNKAPJYKKHL-UHFFFAOYSA-N 213.109 2.015 0 40 BEAB NC[C@H](C[C@@H](O)c1ccccc1)C(F)(F)F 256053202 QMLDBSDPWZVVKE-VHSXEESVSA-N 233.233 2.247 0 40 BEAB c1cc([C@H]2COCCN2Cc2ccsc2)[nH]n1 257274941 NNHNBJZXTVFFMN-GFCCVEGCSA-N 249.339 2.045 0 40 BEAB Cc1ccc2c(nc3n2C(=O)CS3)c1C 408734933 HOLYWFLGFMEQFX-UHFFFAOYSA-N 218.281 2.399 0 40 BEAB NC(=S)Cc1nc2ccccc2s1 80478 CUNDVZRXLHKFFF-UHFFFAOYSA-N 208.311 2.125 0 40 BEAB in-vitro CCc1cccc(C)c1NC(=O)CCC(=O)OC 408451 SDQBACPOWVMUBU-UHFFFAOYSA-N 249.310 2.449 0 40 BEAB CCN(C(=O)c1ccnn1C)c1ccccc1 995867 BGDYHXUZBOINMQ-UHFFFAOYSA-N 229.283 2.087 0 40 BEAB O=C(NCC1(O)CCCCC1)c1ccccc1 1600740 CPSQVLPCYJSIHQ-UHFFFAOYSA-N 233.311 2.112 0 40 BEAB CC(=O)Oc1cccc([C@H]2OC[C@@H](C)O2)c1 1679884 IPAVCRWWKPLHPU-PELKAZGASA-N 222.240 2.046 0 40 BEAB CC(=O)CC[C@]1(C(=O)O)CCCCCCC1=O 1717411 WCGMTSLRPMKDJA-CYBMUJFWSA-N 240.299 2.350 0 40 BEAB O=[P@@]1(Nc2ccccc2)NCCCO1 2048106 QTFNRIQXIUESFJ-AWEZNQCLSA-N 212.189 2.217 0 40 BEAB C=C(F)C(=O)OCC(Cl)(Cl)Cl 2525786 RLBUOZNCCZTWOK-UHFFFAOYSA-N 221.442 2.383 0 40 BEAB CCCNC(=O)C(C(F)(F)F)C(F)(F)F 3100052 PVPTUVBPQAFMGV-UHFFFAOYSA-N 237.143 2.253 0 40 BEAB biogenic Cc1ccccc1Nc1ncnc2n[nH]cc12 4705833 XTFZEXXJZGLUMA-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB Sc1[nH]nnc1-c1cccc(Cl)c1 5731017 QMUGBHLVKYNQQP-UHFFFAOYSA-N 211.677 2.414 0 40 BEAB COC(=O)[C@H](Cc1ccccc1)N1CCCCC1 6482518 ZHDGIWAWWUNORR-AWEZNQCLSA-N 247.338 2.257 0 40 BEAB Cc1ccc(Cl)c(OCC(=O)N2CCC2)c1 12976517 OSJYBRPWOFESLW-UHFFFAOYSA-N 239.702 2.260 0 40 BEAB COc1cccc(C(=O)C[C@H](C)CC(=O)O)c1 15441751 GTOHGLAQCKOYOL-VIFPVBQESA-N 236.267 2.379 0 40 BEAB CCOCC(=O)NC1CCCCCCC1 16970014 DEWPTVXAXMAHMK-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB CC[C@@H](C)NC1CCC2(CC1)OCCO2 19882730 RESQQBQZEPPVGW-SNVBAGLBSA-N 213.321 2.060 0 40 BEAB Cc1cc(C)c2onc(CC(=O)O)c2c1 19946248 NXKXJUYBCDRSPO-UHFFFAOYSA-N 205.213 2.072 0 40 BEAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)O)cc1 20285151 XOKOKKYICGXCKD-LLVKDONJSA-N 248.282 2.076 0 40 BEAB FC(F)C(F)(F)COc1cncc(Cl)n1 20518147 FFSYCDLXLWQBFE-UHFFFAOYSA-N 244.575 2.409 0 40 BEAB in-vitro CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](C)C1 20573114 FKAUWSRENDMFMI-MXWKQRLJSA-N 212.337 2.472 0 40 BEAB Cc1oc2c(c1C(=O)O)C(=O)C[C@H](C)C2 22127077 HYIBHVUBEFEECG-YFKPBYRVSA-N 208.213 2.051 0 40 BEAB CCN(CC)CCN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 23477135 CICDOJLASYRIJX-XGUBFFRZSA-N 234.387 2.082 0 40 BEAB CC[C@@H](CO)NCc1ccc(OC(C)C)cc1 26482898 STKJXLFNIREEJC-ZDUSSCGKSA-N 237.343 2.334 0 40 BEAB O=C1OCCC/C1=C/c1ccc2c(c1)OCO2 29589859 HEQIRHGTZBKRNY-POHAHGRESA-N 232.235 2.136 0 40 BEAB COCC(=O)Nc1ccc(C)c2ncccc12 31096822 VSDHMJMCBKHJJB-UHFFFAOYSA-N 230.267 2.128 0 40 BEAB CCOc1ccc(CNc2cnn(C)c2)cc1 35737899 OMYPQVZVQMCAMD-UHFFFAOYSA-N 231.299 2.431 0 40 BEAB O=C(O)c1ccc(-c2ccccc2Cl)[nH]c1=O 36427979 PINQDMVGEKTYSX-UHFFFAOYSA-N 249.653 2.394 0 40 BEAB in-vitro CO[C@@]1(C(F)(F)F)NC=Nc2ccnc(C)c21 36559034 OBXRHJTWGBUXCU-VIFPVBQESA-N 245.204 2.015 0 40 BEAB Cc1c(Cl)ccc2c(N)c(C(=O)O)cnc12 40165619 AIJZTMZWOAEJKO-UHFFFAOYSA-N 236.658 2.477 0 40 BEAB Cc1cc(C)cc(OC[C@@H]2CCNC2)c1 42772853 RNVIUUNSGACBGM-GFCCVEGCSA-N 205.301 2.292 0 40 BEAB Cc1nc(NCC[C@@H](C)O)c2ccsc2n1 55568964 KNJFYWWJMXMLAL-SSDOTTSWSA-N 237.328 2.183 0 40 BEAB Cc1ccnc(NCc2cccs2)n1 61858937 FKBJGVZJVIDOLB-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB Cc1cc(N(C)CC2CCOCC2)ccc1N 66341720 ALCXDGHJJKFOEZ-UHFFFAOYSA-N 234.343 2.440 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ncccc1C 72211126 ACUNXKVDBAQEGG-LLVKDONJSA-N 204.273 2.073 0 40 BEAB CCn1ncc2c3sc(C)cc3n(C)c2c1=O 72373462 NJWPGYUQDVKQPA-UHFFFAOYSA-N 247.323 2.278 0 40 BEAB CC(C)[C@H](N[C@@H](C)CC(N)=O)c1ccccc1 78739164 OZZATYMCYNVQOP-FZMZJTMJSA-N 234.343 2.237 0 40 BEAB Brc1ccc2c(c1)CCCNC2 82360159 WQZWMJXOLQUALN-UHFFFAOYSA-N 226.117 2.485 0 40 BEAB C1=C[C@H](N[C@H]2CCN3CCC[C@@H]3C2)CCC1 90392801 HYJOOBJLHLGLBJ-MELADBBJSA-N 220.360 2.312 0 40 BEAB C1=C[C@@H](Nc2cc(-n3ccnc3)ncn2)CCC1 95411601 CWMUCPQENVXARC-LLVKDONJSA-N 241.298 2.183 0 40 BEAB Cc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1 96033515 UXKPGMDJYATICD-DGCLKSJQSA-N 205.301 2.262 0 40 BEAB NC[C@@H]1CCOc2ccc(Br)cc21 96987608 SXWOKBKCYYPNFO-ZETCQYMHSA-N 242.116 2.274 0 40 BEAB CCCN1C(=O)CN(c2ccccc2)C1=S 98073043 PTIVYVAHVUQNOJ-UHFFFAOYSA-N 234.324 2.030 0 40 BEAB Fc1cccc(C2=N[C@@H]3C=NN=C3S2)c1 100012089 MRLHMCJNMYFVTB-MRVPVSSYSA-N 219.244 2.086 0 40 BEAB O=C1[C@@H]2CSC[C@@H]1CN(Cc1ccccc1)C2 100436321 ONSHXQWGCKFQFZ-STQMWFEESA-N 247.363 2.051 0 40 BEAB CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)OC 106836518 JJTVJYIRQKTDEE-TUAOUCFPSA-N 227.348 2.496 0 40 BEAB C1CC[C@@H](OCCSC[C@@H]2CCCO2)OC1 193446189 USOWFRVLATZSBK-NWDGAFQWSA-N 246.372 2.442 0 40 BEAB O=C(O)c1ccc2c(Br)c[nH]c2n1 212481034 MXWBPGDEZHOYPM-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB N[C@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 217613474 YSKFCZIPASFMFO-VGMNWLOBSA-N 215.387 2.310 0 40 BEAB CCNCc1ccc(Cc2ccco2)n1C 226021280 FNPIUXWAEIBZCI-UHFFFAOYSA-N 218.300 2.318 0 40 BEAB Brc1ncnn1C1CCCC1 238850471 BUBYHDJSWIUQLS-UHFFFAOYSA-N 216.082 2.156 0 40 BEAB CCN1C[C@@H](C)N(CCOCC(C)C)C[C@H]1C 330032664 QJWPVOFOEUMKHM-ZIAGYGMSSA-N 242.407 2.074 0 40 BEAB O=C(O)CC(=O)c1cccc2ccccc12 1715395 YGCKKKCVWWRSMG-UHFFFAOYSA-N 214.220 2.497 0 40 BEAB CN1CCC([C@@H](O)c2ccccc2)CC1 1727269 QHVQCPPNGSPPHJ-ZDUSSCGKSA-N 205.301 2.062 0 40 BEAB CCOC(=O)[C@@H](C)c1ccc(OC)cc1 2035285 GGWHMTMLIFDQOU-VIFPVBQESA-N 208.257 2.362 0 40 BEAB OC1(c2ccc3cc[nH]c3c2)CCOCC1 2527008 FEKRJXVGUXPGHT-UHFFFAOYSA-N 217.268 2.166 0 40 BEAB CN(C)[C@@H](CNc1ccncc1Cl)C1CC1 91481688 YAYAJATUTUKEBX-LBPRGKRZSA-N 239.750 2.487 0 40 BEAB CCOc1ccc(-c2csc(NN)n2)cc1 4294002 DFJLNDMGCBKFAT-UHFFFAOYSA-N 235.312 2.494 0 40 BEAB CC(=O)Nc1nc2c(F)cccc2s1 4325439 ICVJZVBRTQMUOC-UHFFFAOYSA-N 210.233 2.394 0 40 BEAB C[C@@H]1CN(C=O)c2ccccc2-[n+]2ccsc21 384204 CBLBELQLEJAKOA-SNVBAGLBSA-N 245.327 2.105 0 40 BEAB COc1ccc(C(=O)n2nc(C)cc2C)cc1 493454 GBKXJGMLDPJSEI-UHFFFAOYSA-N 230.267 2.197 0 40 BEAB Cc1cc(F)ccc1NC(=O)c1ccc[nH]c1=O 22743751 SJZBESCSCDRGLR-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB CONC(=O)c1cc2c(F)cccc2s1 23041165 KGQYTHKXBHNSOQ-UHFFFAOYSA-N 225.244 2.332 0 40 BEAB NC[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 54586838 YLAYUIMEMDLUBM-WPRPVWTQSA-N 213.227 2.350 0 40 BEAB CC(C)(C)c1nnc2ccc(Cl)nn12 34962789 OIAUBHCLFFRPGV-UHFFFAOYSA-N 210.668 2.075 0 40 BEAB in-vitro C[C@H]1[C@H](O)CCCN1Cc1ccccc1 107242042 ZFJGRVQFTNBLRP-WCQYABFASA-N 205.301 2.032 0 40 BEAB in-vitro CCCNC(=O)c1ccc(OCC)cc1 2081161 GSINPXZUBQBYFY-UHFFFAOYSA-N 207.273 2.225 0 40 BEAB COc1ccc(C(C)=O)cc1CN1CCCC1 3389655 PNIIFDNCPPWFAS-UHFFFAOYSA-N 233.311 2.494 0 40 BEAB CC(C)CNC(=O)c1ccc(Cl)o1 12903908 JQSZOGZINDWRLP-UHFFFAOYSA-N 201.653 2.319 0 40 BEAB Cc1ccc(NC2=NC(=O)CS2)cc1C 13424416 ALSAFJRACCALQB-UHFFFAOYSA-N 220.297 2.345 0 40 BEAB Cc1ccccc1COC1CCNCC1 14631878 NJFYIPAFKCBDPW-UHFFFAOYSA-N 205.301 2.264 0 40 BEAB in-vitro Cc1ccc(-c2cn3nc(C)c(O)nc3n2)cc1 5968878 IHLFJJPIXMGJSL-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB Cc1ccccc1C(=O)OCC(=O)c1ccc[nH]1 8510973 XSUHFIYLYFRBND-UHFFFAOYSA-N 243.262 2.363 0 40 BEAB CO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 78974525 FOHTXAJZYGDIFL-GRYCIOLGSA-N 235.327 2.330 0 40 BEAB OC[C@H]1C=C[C@@H](Nc2ncc(Cl)cc2F)C1 79302159 SPUGEWXXZIXALL-IONNQARKSA-N 242.681 2.223 0 40 BEAB Cc1ccccc1C1(CO)CCOCC1 64874309 GGYWTVULNZFMIY-UHFFFAOYSA-N 206.285 2.036 0 40 BEAB O[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1 1589746 NCCYBEZNRYYHRY-LSDHHAIUSA-N 228.291 2.324 0 40 BEAB biogenic CCc1cccc(C)c1NC(=O)/C=C\C(=O)O 33286388 MCIJUUJSHVBIPT-FPLPWBNLSA-N 233.267 2.137 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN(C(C)C)C1 72356957 YRSLKFVOADAWLC-NSHDSACASA-N 207.321 2.306 0 40 BEAB CC[C@@H](c1ccccc1)N(C)CC(=O)O 79421330 QROKEYNNHZUOTA-NSHDSACASA-N 207.273 2.154 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1ccncc1 32819139 SRPDNMXLDOYNEE-JTQLQIEISA-N 202.257 2.376 0 40 BEAB CC(C)Oc1ccc(C2=NCCC2)cn1 72211880 IHAPHAUGMHUTLT-UHFFFAOYSA-N 204.273 2.452 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@@H]([C@H](C)N)C1 70172670 KIHACNQAIPBFKJ-QWHCGFSZSA-N 246.354 2.194 0 40 BEAB OCc1cc([C@H]2CCCN2C2CCCCC2)n[nH]1 72381180 LYMITMWLUAOKLN-CQSZACIVSA-N 249.358 2.372 0 40 BEAB CCCNc1cncc(Br)c1N 225742634 PBNLPKIPQMAIJR-UHFFFAOYSA-N 230.109 2.248 0 40 BEAB COc1cccc(CCCO)c1Cl 199557366 MOMNKUJPHQXJLS-UHFFFAOYSA-N 200.665 2.274 0 40 BEAB COc1cc(C2(C(=O)N(C)C)CC2)ccc1C 89647049 BDVRUUKDJAUXKZ-UHFFFAOYSA-N 233.311 2.123 0 40 BEAB Cc1cc(NC(=O)C[C@H]2C=CCC2)n(C)n1 43839201 DBOJNDJUIJTNJF-JTQLQIEISA-N 219.288 2.023 0 40 BEAB Cc1cccc(C)c1C[C@@H](C(=O)O)N1CCCC1 225141668 PMBKKXPAZOCOKZ-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB Cc1nc(C(=O)N(C)c2ccccc2)co1 225890684 IUTAYWZHONVCHN-UHFFFAOYSA-N 216.240 2.260 0 40 BEAB CCC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 34099912 HNUHHZOYMFQNQV-VIFPVBQESA-N 227.304 2.365 0 40 BEAB in-vitro CC(C)(C)OC(=O)n1cc(CN)c2cccnc21 95830898 OJSDFEXIAAQNQI-UHFFFAOYSA-N 247.298 2.278 0 40 BEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)C)o1 53366161 FVJKGWIZPAXWOU-MWLCHTKSSA-N 221.300 2.424 0 40 BEAB CN(C)C(=O)c1ccc(F)c(Br)c1 77400555 GSCAUMVTMQJFPH-UHFFFAOYSA-N 246.079 2.290 0 40 BEAB c1ncc(CN2C[C@H]3CCC[C@H]3C2)s1 93443013 IDMHDGSVRJLNJU-AOOOYVTPSA-N 208.330 2.375 0 40 BEAB COC(=O)CCc1cccc2c1OC(F)(F)O2 96171552 HACPRQUBIVTRQC-UHFFFAOYSA-N 244.193 2.114 0 40 BEAB CCOc1cncc(NC2CC=CC2)n1 96480611 XKVMKIQXLLGELZ-UHFFFAOYSA-N 205.261 2.006 0 40 BEAB CCc1nc(CN[C@@H](C)c2ccc(C)o2)no1 97373965 YSOUQIFDAXGCKC-VIFPVBQESA-N 235.287 2.384 0 40 BEAB O=C(/C=C/c1ccccc1)Nc1nncs1 146176 PORLVXMAXNYUJD-VOTSOKGWSA-N 231.280 2.190 0 40 BEAB CC(C)OC(=S)NC(=O)c1ccccc1 5456236 CCVYZFLLMCVKEK-UHFFFAOYSA-N 223.297 2.126 0 40 BEAB CC(C)c1cc([C@H]2CCCN2CC(=O)O)on1 12397339 HOPSMPWPNXXOQI-SNVBAGLBSA-N 238.287 2.020 0 40 BEAB COc1ccc(/C=C2\CCOC2=O)cc1OC 1591953 ZRJQYVDRCJESNN-JXMROGBWSA-N 234.251 2.034 0 40 BEAB CCOc1cccc(/C=C/[N+](=O)[O-])c1O 2528159 IYDHELOQZJRCML-VOTSOKGWSA-N 209.201 2.038 0 40 BEAB in-vitro CC[C@@H]1CCCCN1C(=O)c1cc(C)on1 13363646 RUBVLFPKBFRZLA-SNVBAGLBSA-N 222.288 2.388 0 40 BEAB C[C@H]1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2O1 1565553991 ILBZPWBEXXQSIR-SFDCQRBFSA-N 249.354 2.369 0 40 BEAB COc1cc2ncnc(NC(C)C)c2cc1OC 116721 PBWRQWDUZYUMIY-UHFFFAOYSA-N 247.298 2.467 0 40 BEAB CCCC(=O)Nc1nc(SCC)ns1 252237 OJAFOVHWVAQOKM-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB COc1cn(CCC(=O)O)c2ccccc12 502129 KLDGYAUKLPVNOE-UHFFFAOYSA-N 219.240 2.125 0 40 BEAB COc1ccc(-c2cc(C)nc3ncnn23)cc1 520872 AWOVHXGFCKDQIJ-UHFFFAOYSA-N 240.266 2.108 0 40 BEAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)no1 2312636 YNPJNHVZTVCDOL-UHFFFAOYSA-N 243.477 2.292 0 40 BEAB C[C@H](NCc1ccnn1C)c1ccccc1 4488299 LLBFEICCTQDJNG-NSHDSACASA-N 215.300 2.271 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 5555649 IUNLWISKZNCPQG-IONNQARKSA-N 219.240 2.010 0 40 BEAB CCOc1c(F)c(F)c(C(=O)O)c(F)c1F 5905975 XSRAARBUDMRTGR-UHFFFAOYSA-N 238.136 2.340 0 40 BEAB Cc1cnc(C(=O)Nc2cccc(F)c2)cn1 6152391 RASUCYQOUNOGRU-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2O)cc1 6502112 AHIHFHUBNZUXDC-CHWSQXEVSA-N 248.326 2.420 0 40 BEAB Cc1n[nH]c(=S)n1NCc1ccsc1 7602227 LOYBNSMRFQQHAY-UHFFFAOYSA-N 226.330 2.054 0 40 BEAB C[C@@H](Nc1ccccc1Br)C(=O)O 8702705 IDBDILPTHYVUJC-ZCFIWIBFSA-N 244.088 2.334 0 40 BEAB CCOc1ccc(N[C@@H](CC)C(=O)O)cc1 8702745 RTQHZFCBYHXDRW-NSHDSACASA-N 223.272 2.360 0 40 BEAB CCCn1c(CCC(=O)O)nc2ccccc21 9238103 KGTQNTMASOBOTH-UHFFFAOYSA-N 232.283 2.464 0 40 BEAB Cc1ccc(O)c(C(=O)NCc2ccco2)c1 13007465 KXGGAFHNNXEXMS-UHFFFAOYSA-N 231.251 2.224 0 40 BEAB CC(C)[C@H](O)[C@]1(C)CC[C@@H](C(=O)O)C(C)(C)O1 13404642 QJANQSIODSCOQO-KWBADKCTSA-N 244.331 2.052 0 40 BEAB biogenic N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 16082908 VOAOYMFECOMDMY-AWEZNQCLSA-N 238.290 2.233 0 40 BEAB Cc1nc([C@H]2CCCNC2)cc(C(F)(F)F)n1 19686144 IPONGEIBLCWUNQ-QMMMGPOBSA-N 245.248 2.271 0 40 BEAB O=c1cc(-c2ccc(F)cc2)[nH]c(=S)[nH]1 20153805 VQADNNGVUZCZOK-UHFFFAOYSA-N 222.244 2.239 0 40 BEAB CC[C@@H](C)n1ncc2cc(C(=O)O)cnc21 22143403 NHPDQPACTIHEGT-SSDOTTSWSA-N 219.244 2.101 0 40 BEAB in-vitro Cc1nc(SCC(C)C)sc1CC(N)=O 22487282 ZPJODUGLGPSNEV-UHFFFAOYSA-N 244.385 2.227 0 40 BEAB CCn1cc(CNC(=O)c2cc(C)oc2C)cn1 28226903 JYPJLQFUHLLXCQ-UHFFFAOYSA-N 247.298 2.043 0 40 BEAB O=C(Nc1ccc(-n2ccnc2)cc1)C1CC1 29951575 HHVVGBOVIZUEEF-UHFFFAOYSA-N 227.267 2.221 0 40 BEAB COc1ccccc1[C@@H](CN)N1CCC(C)CC1 32522381 ZIYVUKBXAFBXFB-CQSZACIVSA-N 248.370 2.427 0 40 BEAB CN[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 37181011 WUNPURZYXCZCPK-QMMMGPOBSA-N 233.189 2.051 0 40 BEAB biogenic,in-vitro CCC[C@@](C)(N)C(=O)N[C@@H](C)c1ccccc1 37621101 BGSUQVLWKNOKQB-SMDDNHRTSA-N 234.343 2.381 0 40 BEAB in-vitro COCC(=O)N[C@H](C)c1cccc(Cl)c1 40459662 KQZMQUVUBYOEFA-MRVPVSSYSA-N 227.691 2.164 0 40 BEAB CC[C@H](C)n1ncc(C(=O)O)c1C1CC1 40930730 AQLPNAWLKPYKSU-ZETCQYMHSA-N 208.261 2.430 0 40 BEAB in-vitro C[C@H](Cc1cc(F)ccc1F)C(=O)O 43459158 GATIIXYLIXZALQ-ZCFIWIBFSA-N 200.184 2.228 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccccn1 46041264 GHOIRBMLPJPXRA-UXBLZVDNSA-N 204.273 2.054 0 40 BEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccccc1 46995399 BWJYDXNPFYSPMR-ZIAGYGMSSA-N 244.338 2.043 0 40 BEAB O=C(O)c1cccn(-c2ccccc2Cl)c1=O 49837730 UOGXTCONJABBSL-UHFFFAOYSA-N 249.653 2.189 0 40 BEAB CO[C@H](C)C(=O)N(Cc1ccccc1)C1CC1 55117626 NOAHINBUTROQEB-LLVKDONJSA-N 233.311 2.213 0 40 BEAB Cc1nnc(CN(C)Cc2ccccc2F)o1 58016116 UBWWTXKUZLFPCN-UHFFFAOYSA-N 235.262 2.149 0 40 BEAB CCO[C@@H](CN)c1cc(F)ccc1F 62711904 CMTLUWBAVRYCDS-JTQLQIEISA-N 201.216 2.001 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@H]2[C@@H](C)O)c1 62713991 XIQGGSRGDTUMQB-OXHMUOHRSA-N 222.284 2.188 0 40 BEAB Cc1cc(-c2ccc(C=O)s2)n(C)n1 64219846 BGVIHMZIFDDYGO-UHFFFAOYSA-N 206.270 2.270 0 40 BEAB CCCN(C)[C@@H](C)C(=O)NCc1ccccc1C 69091447 RHCLHCZCMZTRPC-ZDUSSCGKSA-N 248.370 2.342 0 40 BEAB Cc1ccc(OCC(=O)N2CCCC[C@H]2C)cn1 69740700 LMXXWGJAODMAFU-GFCCVEGCSA-N 248.326 2.170 0 40 BEAB CC(C)=CCN1CCC(CN(C)C)CC1 71794681 VPZGHBYWWGOAGA-UHFFFAOYSA-N 210.365 2.226 0 40 BEAB Cc1cc(CCNC(=O)OC(C)(C)C)ccn1 72206902 GKPBHIJNBCOZNJ-UHFFFAOYSA-N 236.315 2.457 0 40 BEAB O=C(NCC(F)F)Nc1ccccc1 72929449 KRFHMOJWMINTQS-UHFFFAOYSA-N 200.188 2.073 0 40 BEAB COCCOc1cc(Br)ccc1N 83732100 JMHZROHRIISRKH-UHFFFAOYSA-N 246.104 2.057 0 40 BEAB CC(C)CCCNC(=O)N1CCSCC1 84510344 BCPRGQIMZWGANX-UHFFFAOYSA-N 230.377 2.181 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCC[C@@H]1CN)c1ccccc1 89448604 WQVMIHUDYOMBDN-IACUBPJLSA-N 246.354 2.239 0 40 BEAB FC(F)Oc1ccc(NCc2ccon2)nc1 91731996 ITJHTPDONTYRHM-UHFFFAOYSA-N 241.197 2.283 0 40 BEAB CC1(C)CCN(C(=O)Nc2cccnc2)C1 95403830 VDMJNJWOZYQVMG-UHFFFAOYSA-N 219.288 2.345 0 40 BEAB Cc1cc(CSC2CCOCC2)no1 95439493 YWXVQFKJNZSHIJ-UHFFFAOYSA-N 213.302 2.395 0 40 BEAB Cc1ccc(-c2nc([C@@H](N)C(C)C)n[nH]2)cc1 95534785 FTJJOVHIWRMMRZ-NSHDSACASA-N 230.315 2.436 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1ccc(C)s1 97376729 NTNAEJUKJYJITL-SSDOTTSWSA-N 242.296 2.165 0 40 BEAB c1cncc(-c2nc([C@@H]3CCCCCN3)no2)c1 135984810 AABWTTWNMACGSY-NSHDSACASA-N 244.298 2.336 0 40 BEAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CO 149398480 RAHRDDGHHDIGTE-SNVBAGLBSA-N 241.331 2.016 0 40 BEAB CCC(CC)(CC)SCC(=O)NC(=O)NC 191931389 VPUMHXJNTWLJPU-UHFFFAOYSA-N 246.376 2.144 0 40 BEAB Cc1ccnc(NC(=O)c2cscc2C)n1 194647255 QPYXPZPONNONMB-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CC(C)(C)OC(=O)n1ncc2c(CO)cccc21 228916222 ZAIKRESILISGDT-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB CCCNCc1cn(Cc2ccccc2)cn1 233080072 YOQITHZGCAYYSG-UHFFFAOYSA-N 229.327 2.431 0 40 BEAB c1cc2c(s1)CN(CC[C@H]1CCNC1)CC2 334971420 VUUYFNJLVSMYOY-LLVKDONJSA-N 236.384 2.106 0 40 BEAB C[C@H]([C@@H](O)c1ccccc1)[n+]1ccccc1 1712270 YFPQJXQDJMCHQA-TZMCWYRMSA-N 214.288 2.269 0 40 BEAB Cc1ccc2c(c1)s/c(=N/C(=O)C1CC1)n2C 3175376 GGAHELMZYVZGFN-BUHFOSPRSA-N 246.335 2.386 0 40 BEAB Cc1nccn1Cc1ccc(Cl)nc1 4002756 RHQJHHQYHBXODM-UHFFFAOYSA-N 207.664 2.288 0 40 BEAB Nc1ccc(C(=O)N2CCCCCC2)cc1 4245371 OOOXUISFYMTSJI-UHFFFAOYSA-N 218.300 2.285 0 40 BEAB in-vitro C1=NN(c2ccccc2)CNN1c1ccccc1 5574286 WLRYTHBZAWDGSP-UHFFFAOYSA-N 238.294 2.419 0 40 BEAB CN(C)[C@H](CCN)c1ccc(Cl)cc1 11762463 IDNMRNLCEZWGGG-LLVKDONJSA-N 212.724 2.292 0 40 BEAB CC(C)C(=O)Nc1onc2c1C[C@@H](C)CC2 11917224 NWCNUSSKEOORGG-QMMMGPOBSA-N 222.288 2.394 0 40 BEAB O=C(CSc1ccccn1)N1CCCCC1 13285102 UBKQMMLMJWLGIC-UHFFFAOYSA-N 236.340 2.186 0 40 BEAB c1ccc(COC[C@H]2CCCNC2)cc1 14631093 QZQDAWTWOLCCAR-ZDUSSCGKSA-N 205.301 2.203 0 40 BEAB in-vitro CCN(CC)CCN1C[C@@H]2CCCC[C@H]2C1 19366869 LDWNBSDGQACSSP-KBPBESRZSA-N 224.392 2.450 0 40 BEAB CCOC(=O)Nc1ccccc1C(C)=O 19442573 NSJUTXFMYLBGSG-UHFFFAOYSA-N 207.229 2.458 0 40 BEAB O=C(O)c1ccnc(OC2CCCCC2)c1 19812884 FSXGMVHSSOAENQ-UHFFFAOYSA-N 221.256 2.491 0 40 BEAB in-vitro CCN(CC)CCNCc1ccc(C)cc1 19919164 NCVKKZVVOQFWQT-UHFFFAOYSA-N 220.360 2.426 0 40 BEAB CN(CC1CCNCC1)C1CCCCC1 21950017 SVHRLEXHFBEYDF-UHFFFAOYSA-N 210.365 2.251 0 40 BEAB Nc1cccc(OCc2cccnc2)c1 21968041 OBYWDUCMQAJQHD-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB in-vitro CSc1cc(C=O)nn1-c1ccccc1 26897122 DWUXSODBPBHPEY-UHFFFAOYSA-N 218.281 2.407 0 40 BEAB CC[C@H](C)n1c(CO)nc2ccccc21 27587686 SDEMGGPUAXRUTI-VIFPVBQESA-N 204.273 2.500 0 40 BEAB CSc1ccccc1NCC(=O)NC1CC1 28651194 NQYVGPSTVYPCQB-UHFFFAOYSA-N 236.340 2.099 0 40 BEAB O=C(Nc1ccc2c(c1)CCO2)c1ccoc1 31344418 ZNRMVFHPWRRNTF-UHFFFAOYSA-N 229.235 2.467 0 40 BEAB CCCn1nc(C)cc1NC(=O)c1ccco1 32647827 JKAZSRUYHJJNCW-UHFFFAOYSA-N 233.271 2.447 0 40 BEAB CNC(=O)c1occc1-c1ccccc1 32903754 WXJSTIHYCUCRHM-UHFFFAOYSA-N 201.225 2.306 0 40 BEAB C[C@@H]1CN(c2ncnc3ccccc23)[C@H](C)CO1 34870116 AWSDCGJYXVSDQE-GHMZBOCLSA-N 243.310 2.243 0 40 BEAB CC[C@H](N)[C@H](O)c1c(F)cccc1Cl 36779407 FMPJLTYAWDWGDH-WPRPVWTQSA-N 217.671 2.250 0 40 BEAB in-vitro Nc1ccn(CCCc2ccccc2)n1 37418742 ZVCPJYPZMFQVMV-UHFFFAOYSA-N 201.273 2.098 0 40 BEAB COCC(=O)NCc1ccc(Cl)cc1Cl 40160964 GQKVKJHUCLJFNJ-UHFFFAOYSA-N 248.109 2.256 0 40 BEAB COCCCCN[C@@H](C)c1cccnc1 44655507 CUNWIAUSRJQWTR-NSHDSACASA-N 208.305 2.159 0 40 BEAB O=Cc1c[nH]c2c(C(F)(F)F)ccnc12 44700099 KLNSCIDZBUUJFK-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB CO[C@H](CCO)c1nc2ccccc2s1 45237832 LJQNEQDXUHGLHH-SECBINFHSA-N 223.297 2.366 0 40 BEAB CCOc1ccc(F)c(C(=O)O)c1F 45805595 JOQRIDVHSRHQMD-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB in-vitro C[C@@H](Cc1ccco1)NC(=O)Nc1cccnc1 48448090 KUWVSACWAMUYNT-JTQLQIEISA-N 245.282 2.427 0 40 BEAB COc1ccc([C@@H]2CCC(=O)O2)cc1F 49814726 NUBOBWVJTYHWFN-VIFPVBQESA-N 210.204 2.212 0 40 BEAB COc1ccc(C(=O)N(C)C2CCCC2)cn1 53643515 CXOSAJXNJJVQCU-UHFFFAOYSA-N 234.299 2.105 0 40 BEAB O=C(O)c1ccc(Cl)nc1OC1CCC1 71025890 FZLADSJVOIUUHJ-UHFFFAOYSA-N 227.647 2.365 0 40 BEAB in-vitro Fc1ccccc1-c1nc([C@H]2CCCN2)no1 71396693 BFMJKCXOJOFISB-SNVBAGLBSA-N 233.246 2.300 0 40 BEAB NC1CCC(NCc2ccc(Cl)nc2)CC1 72203771 YTPXQNBXWISFIJ-UHFFFAOYSA-N 239.750 2.095 0 40 BEAB C[C@@H](O)c1ccc([C@@H]2CCCNC2)cc1 75905352 SICFBBWCTCWIKC-ZWNOBZJWSA-N 205.301 2.207 0 40 BEAB NC(=O)N1CCC[C@@H]1c1cccc(F)c1 77632513 YSEGTFIIMDFOSD-SNVBAGLBSA-N 208.236 2.041 0 40 BEAB Cc1nn(C)c(C)c1[C@H]1CCCCCN1 83287527 TYEYEGUXCAFYCB-LLVKDONJSA-N 207.321 2.242 0 40 BEAB N[C@H](CCc1ccc(Cl)cc1Cl)C(=O)O 84079272 VSJIELYJPAYOJA-SECBINFHSA-N 248.109 2.338 0 40 BEAB FCCCn1cc(Br)cn1 88026577 SIWKOZQZRQBUPK-UHFFFAOYSA-N 207.046 2.005 0 40 BEAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n1 95401726 XWASLHNPRAFXNR-PHIMTYICSA-N 230.311 2.118 0 40 BEAB CC[C@H](COC)NC[C@@H](O)c1ccccc1C 95422344 ZATPCXWCWOUCTR-TZMCWYRMSA-N 237.343 2.043 0 40 BEAB N[C@@H](CCc1cccc(C(F)(F)F)c1)C(=O)O 95749159 YHEKYBSDNWZYJS-VIFPVBQESA-N 247.216 2.050 0 40 BEAB O[C@@H]1c2ccccc2[C@H](O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104054601 LYMXOOHQUGPBHH-WLLDABJHSA-N 228.291 2.205 0 40 BEAB O=C(O)c1cc2c(O)cc(Cl)cc2[nH]1 107152132 DENGZZURUOLQDK-UHFFFAOYSA-N 211.604 2.225 0 40 BEAB Nc1csc(N2Cc3ccccc3C2)n1 110753853 LBNHTSNDGQOOBH-UHFFFAOYSA-N 217.297 2.246 0 40 BEAB CC(=O)c1c(N)sc2c1C[C@@H]1CC[C@@H]2N1C 114555693 JVVYEWFPMWXSTB-CBAPKCEASA-N 236.340 2.224 0 40 BEAB Nc1ccc2[nH]c(=O)cc(C(F)F)c2c1 117057708 UPVICMMISKUWOL-UHFFFAOYSA-N 210.183 2.048 0 40 BEAB O=C1[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@H]3[C@@H]2C(Cl)(Cl)[C@H]5[C@H]14 195529091 LOPCDUAQBZDNKR-WJMMIMSQSA-N 229.106 2.117 0 40 BEAB CC[C@@H]1CCCCN1CCCNC(=O)C(C)C 201635893 QSTANHPGFFZQMJ-CYBMUJFWSA-N 240.391 2.413 0 40 BEAB CN1C(=O)CC[C@@]12CCCc1ccccc12 220211777 KKYLOLUXEYGOON-CQSZACIVSA-N 215.296 2.470 0 40 BEAB CC(C)C(=O)NCCSCc1ccco1 223199522 SVHCRHMQXKJXMH-UHFFFAOYSA-N 227.329 2.285 0 40 BEAB CNC(=O)c1cc(N)ccc1Nc1ccccc1 225462110 WVNZKCUNTYAOHL-UHFFFAOYSA-N 241.294 2.372 0 40 BEAB CN1[C@H]2CC[C@H]1c1cc(C=O)sc1C2 242592219 OMTQBRDPPGWNJD-XVKPBYJWSA-N 207.298 2.252 0 40 BEAB CC(C)c1noc(-c2cccc(OCCO)c2)n1 248192332 MCRBQNDUNVVLPA-UHFFFAOYSA-N 248.282 2.231 0 40 BEAB Cn1nccc1CNc1cnn(C2CCCC2)c1 256050453 FBFPEPXBDLEPIS-UHFFFAOYSA-N 245.330 2.344 0 40 BEAB NC(=O)c1cccc2c3c([nH]c12)CCCC3 204347 TUPYAMVYMHXIQE-UHFFFAOYSA-N 214.268 2.146 0 40 BEAB CC(C)(C)C1C[C@H](C(=O)O)C[C@H](C(=O)O)C1 345923 XXNPTKXZIXYOFU-JVHMLUBASA-N 228.288 2.234 0 40 BEAB O=C(O)c1ccc2c(c1)nnn2-c1ccccc1 991691 ZRBNFLMTDGWTRA-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB CCCNC(=O)c1cc(Cl)c2c(c1)OCO2 8036232 KHMKRMGASIUIEZ-UHFFFAOYSA-N 241.674 2.209 0 40 BEAB C[C@@H](CN)c1nc2ccccc2n1C(F)F 9477680 SEMHBICJDBOMKL-ZETCQYMHSA-N 225.242 2.494 0 40 BEAB in-vitro C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1F 12979415 NDKGSXPHKMSDJX-ONGXEEELSA-N 221.275 2.440 0 40 BEAB CCCCS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 16971654 PXEQYQVGWPQRRD-GHMZBOCLSA-N 233.377 2.094 0 40 BEAB CC(C)(C)NC(=O)c1cc(-c2ccco2)n[nH]1 20936277 AWNYJTILYUWQCY-UHFFFAOYSA-N 233.271 2.198 0 40 BEAB COC[C@H](O)c1ccc(C(F)(F)F)cc1 22016949 RTAHBTGTKHXJQE-VIFPVBQESA-N 220.190 2.385 0 40 BEAB COCc1noc(N)c1-c1ccc(OC)cc1 26512589 QDPWUODMLGCGAR-UHFFFAOYSA-N 234.255 2.079 0 40 BEAB CSCC(=O)N[C@H]1CCCC[C@H]1C 33028709 WEJVIVQDRMLGCH-BDAKNGLRSA-N 201.335 2.044 0 40 BEAB CNCc1ccc(Br)cc1C 36830343 MHVZVOSJOVHTAC-UHFFFAOYSA-N 214.106 2.477 0 40 BEAB in-vitro O=Cc1c(Br)ccc2c1OCCO2 39151295 IBWRHEPVGJPSBP-UHFFFAOYSA-N 243.056 2.033 0 40 BEAB CC(C)[C@@H](C)NC(=O)CC[C@H]1CCCO1 40506176 ACKJFZLEIUITEQ-GHMZBOCLSA-N 213.321 2.106 0 40 BEAB Brc1cncc(N2CCCCC2)n1 44116745 ZDWFVRMVDWKICQ-UHFFFAOYSA-N 242.120 2.229 0 40 BEAB COc1ccccc1CN1CCCC[C@H]1CN 44421395 VZEUTLYGXODXCP-ZDUSSCGKSA-N 234.343 2.008 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)c1cnccn1 44630034 CDZIAHZBTDHYRV-QMMMGPOBSA-N 223.276 2.062 0 40 BEAB CCOc1ccccc1OCC(=O)N1CCCC1 47078197 KGMTUKYDZNLLHA-UHFFFAOYSA-N 249.310 2.087 0 40 BEAB Clc1ncnc(N2CCc3ccccc3C2)n1 49474255 JTJMWGBFEULIHC-UHFFFAOYSA-N 246.701 2.088 0 40 BEAB O=C(Cc1ccccc1O)NC1CCCCC1 59895383 SJTYDLLAJVJBEK-UHFFFAOYSA-N 233.311 2.384 0 40 BEAB CC(C)Oc1ccc([C@H]2CNCCN2C)cc1 71545104 FFXFMEJLEWIEDE-CQSZACIVSA-N 234.343 2.050 0 40 BEAB CN1CCC[C@@H]1c1cccnc1N1CCCC1 72215967 GCXSQOZSCNDDKG-CYBMUJFWSA-N 231.343 2.449 0 40 BEAB NCc1cc2cc(Br)ccc2[nH]1 82452141 RDXURUGZGUGFNH-UHFFFAOYSA-N 225.089 2.389 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(F)c(C)c1 95731086 BOSNSJWSSWYNLP-UHFFFAOYSA-N 242.271 2.316 0 40 BEAB COC(=O)Cc1cc(Cl)ccc1F 95740120 WWOSVKYMYNEUEP-UHFFFAOYSA-N 202.612 2.195 0 40 BEAB CC(C)n1cc(N)c(OCCC(F)(F)F)n1 95836825 KHALBLATMVRUAX-UHFFFAOYSA-N 237.225 2.377 0 40 BEAB C[C@H](c1ccco1)N(C)C[C@@H]1CCOCO1 95960652 DGVBKZJTIIHEAR-MNOVXSKESA-N 225.288 2.035 0 40 BEAB O=C1OCCN1CCSc1cccs1 96409141 BVEBWLTVWVBJNA-UHFFFAOYSA-N 229.326 2.292 0 40 BEAB c1ccc2c(CN3CCCNCC3)nccc2c1 96523649 ZQJGWJGZBCYIEC-UHFFFAOYSA-N 241.338 2.030 0 40 BEAB CCc1c(C)nn(-c2ccccc2)c1O 100165090 UUOKEWKXBQCYAM-UHFFFAOYSA-N 202.257 2.449 0 40 BEAB CN1[C@@H]2CC[C@@H]1CC1(C2)SCCS1 103992792 VKSXHWATSCYZAH-RKDXNWHRSA-N 215.387 2.419 0 40 BEAB C[C@@H]1[C@@H](O)CCCN1Cc1ccccc1 107242045 ZFJGRVQFTNBLRP-YPMHNXCESA-N 205.301 2.032 0 40 BEAB in-vitro CC(=O)c1ncc(C(F)(F)F)cc1F 168384414 YWXBJOVMOFCKAO-UHFFFAOYSA-N 207.126 2.442 0 40 BEAB CCn1nc(C)cc1C(=O)OCC=C(C)C 195549707 MEKYSTVHNKQACH-UHFFFAOYSA-N 222.288 2.334 0 40 BEAB COCC(=O)c1cccc(F)c1Cl 229179289 XCFQHLLEIPUBKC-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB CCn1ccc(CNc2cc(C3CC3)nn2C)n1 256049802 BMAWBBZZQXUBJN-UHFFFAOYSA-N 245.330 2.126 0 40 BEAB FC(F)(F)C1CCN(Cc2cocn2)CC1 277572261 BEVNGECAHZUHPD-UHFFFAOYSA-N 234.221 2.449 0 40 BEAB N#Cc1cnccc1Oc1ccc(O)cc1 399542330 ZFCPOTSIOIGLPD-UHFFFAOYSA-N 212.208 2.451 0 40 BEAB O=C(Nc1ccccc1)O[C@@H]1CN2CCC1CC2 50683 JEPJAGMRBZWMCT-CYBMUJFWSA-N 246.310 2.329 0 40 BEAB COc1ccc(CC(=O)NC(C)(C)C)cc1 183221 RMKLKZFLYACKGS-UHFFFAOYSA-N 221.300 2.152 0 40 BEAB Cc1ccc(NC(=O)C2CCN(C)CC2)cc1 1594703 MRRCKOQSHOIXLG-UHFFFAOYSA-N 232.327 2.275 0 40 BEAB CCCC[C@H]1SCC(=O)N1c1nncs1 1610839 KTZGPOMJDAHQQH-MRVPVSSYSA-N 243.357 2.134 0 40 BEAB CCN(CC)c1ccc(C(=O)OC)cc1 2556353 NRZLHHHHUNKJOP-UHFFFAOYSA-N 207.273 2.319 0 40 BEAB Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2C)cn1 3559874 QPNVAPBAQNRRPC-ONGXEEELSA-N 233.315 2.094 0 40 BEAB COc1ccc([C@@H](O)Cc2ccncc2)cc1 4046536 XDHAQPAJDNESBV-AWEZNQCLSA-N 229.279 2.366 0 40 BEAB NCCOc1cccc(Cl)c1Cl 4105117 XEKXAEHFMUNHJJ-UHFFFAOYSA-N 206.072 2.331 0 40 BEAB CC(C)(C)Oc1cccc([C@@H](N)CC(=O)O)c1 4284228 VYJNLRQIZFVKBO-NSHDSACASA-N 237.299 2.338 0 40 BEAB COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1O 4720849 JZGHKVCLIIIGNI-HZSPNIEDSA-N 248.322 2.494 0 40 BEAB O=C(O)Cc1ccc(-c2cccc(CO)c2)cc1 5763193 AEUKJKCPZRFKPG-UHFFFAOYSA-N 242.274 2.473 0 40 BEAB Cc1cccc(NC(=O)[C@H]2CCCO2)c1C 6317859 HXJFWRVMTMJXCL-GFCCVEGCSA-N 219.284 2.421 0 40 BEAB CCCO[C@@H](CN)C(Cl)(Cl)Cl 6380671 VDMYOJJPIVHVOE-YFKPBYRVSA-N 220.527 2.111 0 40 BEAB Sc1nnc(Cc2ccc(Cl)cc2)[nH]1 6535788 MOLLSIZVSZCIOU-UHFFFAOYSA-N 225.704 2.338 0 40 BEAB COc1cc(CNc2cn(C)nc2C)ccc1O 20352805 UNZJUDPGFCFAJR-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB Nc1cccc(NC(=O)c2ccoc2)c1 21967580 PJCAHHYYWBCYGX-UHFFFAOYSA-N 202.213 2.114 0 40 BEAB in-vitro C[C@@H](NC(=O)c1ccoc1)c1ccncc1 22622135 ZHEFICOBULQWGQ-SECBINFHSA-N 216.240 2.166 0 40 BEAB C[C@@H](NC(=O)C1CC1)c1ccc2c(c1)OCO2 28305234 WPKIOJRYPYOONF-MRVPVSSYSA-N 233.267 2.003 0 40 BEAB CCOC(=O)/C=C\CC(C)(C)CCOC(C)=O 31853645 RMNXNRFUMFJXDX-SREVYHEPSA-N 242.315 2.475 0 40 BEAB CC(C)(C)n1nc(C2CC2)cc1C(=O)O 32628265 JXKYWJDTUICMIF-UHFFFAOYSA-N 208.261 2.214 0 40 BEAB OCCCSc1ncnc2ccccc12 37485629 OUVCOJABAFOUOG-UHFFFAOYSA-N 220.297 2.104 0 40 BEAB CC(C)C(=O)N[C@@H](C)Cc1cccs1 38935390 UDXUENGTHMUETK-VIFPVBQESA-N 211.330 2.451 0 40 BEAB Cc1ccc(CN2CCC(CC(N)=O)CC2)cc1 40540751 YQKQJVQBJXSANQ-UHFFFAOYSA-N 246.354 2.082 0 40 BEAB CC(C)(C)NC(=O)Cc1noc2ccccc12 47835258 ZADYCJHDPREENA-UHFFFAOYSA-N 232.283 2.285 0 40 BEAB O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1O 52003261 AUDCZNMODKREEO-VXGBXAGGSA-N 234.299 2.112 0 40 BEAB CCSc1ncc(CNC(C)(C)C)cn1 62717280 NHQXOXKLBITUFB-UHFFFAOYSA-N 225.361 2.477 0 40 BEAB Cc1cccc(SCCS(C)(=O)=O)c1 67008414 SKCLDHBYPSFYQQ-UHFFFAOYSA-N 230.354 2.132 0 40 BEAB Cc1ncccc1CN[C@@H](C)[C@H](C)n1cccn1 69350011 ALHJVZMXBWSESZ-AAEUAGOBSA-N 244.342 2.326 0 40 BEAB O=C([C@H]1CCOC1)N1CCCCc2ccccc21 69353539 CWONVLMPDCNPJY-ZDUSSCGKSA-N 245.322 2.392 0 40 BEAB O=C(NC1CC1)c1c[nH]nc1-c1cccs1 71115942 CSMDOJXAAWAEDQ-UHFFFAOYSA-N 233.296 2.030 0 40 BEAB C[C@]1(C(=O)O)CC(c2cccc(Cl)c2)=NO1 71981024 AXLNRVAJFGSQEB-LLVKDONJSA-N 239.658 2.308 0 40 BEAB c1cc(NC2CCC2)ncc1[C@@H]1CCCN1 72213820 AFCZPNIABDNSKA-LBPRGKRZSA-N 217.316 2.471 0 40 BEAB CNCc1ccc(OC)c(OC)c1Cl 82491248 LPBAWHXDFADMAI-UHFFFAOYSA-N 215.680 2.077 0 40 BEAB COc1ccccc1CC1(C(=O)O)CCC1 83570158 LPIMHWXWLZYOIK-UHFFFAOYSA-N 220.268 2.493 0 40 BEAB Brc1cc2cn[nH]c2s1 84308726 OPDHLXVHKVAKBD-UHFFFAOYSA-N 203.064 2.387 0 40 BEAB O=C(O)C[C@H]1CCCN(c2ccccc2)C1 84488132 PRRYOOVUVJZMHA-LLVKDONJSA-N 219.284 2.378 0 40 BEAB Cc1nc2n(n1)[C@H](c1cccs1)C[C@@H](C)N2 95471676 HMXQNWJJFLYVST-APPZFPTMSA-N 234.328 2.442 0 40 BEAB NCc1cccnc1SC(F)(F)F 95918411 BJELTRMIPOOSEW-UHFFFAOYSA-N 208.208 2.152 0 40 BEAB C[C@H]1C[C@H]2CN(Cc3ccoc3)CC[C@@H]2O1 96045892 KALWPCOXOMEFGQ-DRZSPHRISA-N 221.300 2.279 0 40 BEAB NCc1cccc2c1CCCN2CC1CC1 96510241 PTFYFSIBTFLNFA-UHFFFAOYSA-N 216.328 2.308 0 40 BEAB CC[C@](C)(CO)NC(=O)c1cc(C)cc(F)c1 97081758 BFESHWNYPZDLRI-CYBMUJFWSA-N 239.290 2.025 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2n1C 97377806 VHVNIXDJXNEZLR-UWVGGRQHSA-N 243.310 2.192 0 40 BEAB C[C@H](CO)[C@H]1CCCN1C(=O)OC(C)(C)C 214630882 CZGGVYDUTBZKDK-NXEZZACHSA-N 229.320 2.014 0 40 BEAB CC(C)NC(=S)Nc1ccccc1C(=O)O 216930935 PPTUYJFDDIRDEQ-UHFFFAOYSA-N 238.312 2.080 0 40 BEAB Cc1c(N)cc(C(=O)N2CCC[C@H](C)C2)cc1N 226304511 JOWTWTDYSYGQBL-VIFPVBQESA-N 247.342 2.032 0 40 BEAB CCCCNC(=O)[C@H](C)N1CCC=C(Cl)C1 585141453 WBUKZECVGRBZDW-JTQLQIEISA-N 244.766 2.120 0 40 BEAB COC(=O)c1ccc(NC(=O)CC(C)C)cc1 362493 GKJNKMFKODDPST-UHFFFAOYSA-N 235.283 2.458 0 40 BEAB COc1cccc(N2C[C@H]3C[C@@H]4C=C[C@@]3(C2)O4)c1 1611104 KCWAFDRAFBJEFX-UGFHNGPFSA-N 243.306 2.229 0 40 BEAB O=Cc1c(Cl)c2cc(F)ccc2oc1=O 2511162 RHGRRJGYSAYGDK-UHFFFAOYSA-N 226.590 2.398 0 40 BEAB CCCNS(=O)(=O)c1cccc(Cl)c1 6079081 WDAAAUORLGFQKQ-UHFFFAOYSA-N 233.720 2.028 0 40 BEAB CNC(=O)Nc1nc2c(C)cccc2s1 6217812 HFTGYZNVIKLVCA-UHFFFAOYSA-N 221.285 2.356 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(N)cc1OC 8703535 OTSLWBVVLBXRSQ-QMMMGPOBSA-N 222.288 2.262 0 40 BEAB CCOc1oc(-c2ccccc2)nc1C(=O)O 10021436 FKTHAJTWXRSXRZ-UHFFFAOYSA-N 233.223 2.439 0 40 BEAB C[C@H](NC(=O)c1cnccn1)c1cccc(F)c1 12877528 LFGMLIRTFGFSDF-VIFPVBQESA-N 245.257 2.107 0 40 BEAB CSc1ccc(C(=O)NC2CC2)cc1 13019358 ZPEUMWXRXJPJFU-UHFFFAOYSA-N 207.298 2.301 0 40 BEAB in-vitro N[C@@H](CC(=O)O)c1ccc2c(c1)CCCC2 15014662 GPQHIVDSBJLOKO-LBPRGKRZSA-N 219.284 2.040 0 40 BEAB CCOc1ccc(C(=O)OC)c(OCC)c1 15446155 DQRGMRXCQYWPIB-UHFFFAOYSA-N 224.256 2.271 0 40 BEAB O=C(O)Cn1ccc(-c2ccc(Cl)cc2)n1 16123476 JHUHEZPLTUUELM-UHFFFAOYSA-N 236.658 2.288 0 40 BEAB Nc1nc(CN2CCc3ccccc3C2)cs1 17200565 QCSNOZLPWDFADU-UHFFFAOYSA-N 245.351 2.284 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1F 21269933 ZSUNDFGRFWRAHX-SCZZXKLOSA-N 207.248 2.098 0 40 BEAB CC[C@@H](C)NC(=O)c1sc(C)nc1C 21783987 BEEQVCPXJBUVSD-ZCFIWIBFSA-N 212.318 2.288 0 40 BEAB CC(=O)c1c(F)c(F)c(N)c(F)c1F 21989454 OCCQTEQIHYYUKN-UHFFFAOYSA-N 207.126 2.028 0 40 BEAB Cc1ccccc1C(=O)NCCc1cccnc1 32348116 IICXBNVIXZUMEQ-UHFFFAOYSA-N 240.306 2.363 0 40 BEAB O=C(O)c1cc(-c2ccccc2)cc(C(=O)O)n1 39311031 VHENPTPXTMAFOQ-UHFFFAOYSA-N 243.218 2.145 0 40 BEAB CC(C)C(=O)NCCO[C@@H]1CCCC[C@H]1C 40534929 YUMPTQFITLTHSH-VXGBXAGGSA-N 227.348 2.354 0 40 BEAB C=CC(=O)NCCCOC1CCCCC1 40799998 JSFDCQCUNHNTRU-UHFFFAOYSA-N 211.305 2.028 0 40 BEAB CC(C)CNC(=O)Cc1ccccc1F 48090061 UWVRTKRTRTVINN-UHFFFAOYSA-N 209.264 2.140 0 40 BEAB CN[C@H](C)c1nc2cc(Cl)ccc2[nH]1 54052913 YUXAXRSHSXTJQR-ZCFIWIBFSA-N 209.680 2.497 0 40 BEAB NC[C@@H](CO)Cc1cccc(Cl)c1Cl 62711358 RPCBQZHHUFVTPQ-ZETCQYMHSA-N 234.126 2.103 0 40 BEAB COc1ccccc1[C@@H](O)c1ccoc1 68890746 YTRTYOLYYSJETL-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB CC(=O)c1ccc(N)cc1Br 70042570 NEVFEOKSKAIEFS-UHFFFAOYSA-N 214.062 2.234 0 40 BEAB in-vitro CCOC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 71908356 XMQRCXFGLOXKLJ-MRVPVSSYSA-N 248.282 2.500 0 40 BEAB COc1ccc([C@@H]2CCCCN2)c(C)n1 72218088 MUOYZWHKQHKTCB-NSHDSACASA-N 206.289 2.213 0 40 BEAB O=C(O)C1(c2cc(-c3ccco3)on2)CC1 72220584 PDGQUBGWGQSSGD-UHFFFAOYSA-N 219.196 2.051 0 40 BEAB Cc1cc(NC(C)(C)C)ncc1CCO 72223985 DSCUTCHUKDKRCK-UHFFFAOYSA-N 208.305 2.135 0 40 BEAB NC(=O)c1sc2ccccc2c1[C@H]1CCNC1 72344086 WUQWRYHDEDAPDZ-QMMMGPOBSA-N 246.335 2.077 0 40 BEAB CC(C)N1CCC[C@@H](c2nccnc2N(C)C)C1 72348466 PXJBQIKJYZCPNQ-GFCCVEGCSA-N 248.374 2.130 0 40 BEAB CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC=CCC1 75170576 ONCJMTMBEOKBKK-RYUDHWBXSA-N 239.359 2.256 0 40 BEAB Clc1cccc2sc(OC3CNC3)nc12 85554774 PRSVCYLVTIAJCR-UHFFFAOYSA-N 240.715 2.300 0 40 BEAB CC[C@H]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 88343565 AREPFWVWZHSJPD-IUCAKERBSA-N 243.303 2.249 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(F)cc1 95731177 OYGYCARSBLYWSZ-UHFFFAOYSA-N 228.244 2.008 0 40 BEAB Cc1ccc2c(c1)C1(CC2)CCN(CCO)CC1 96241705 OYRAMJNDOQVIFK-UHFFFAOYSA-N 245.366 2.267 0 40 BEAB Cc1cccc(NCc2ccccc2CO)n1 97096611 ALNKSJFCTVIOBN-UHFFFAOYSA-N 228.295 2.494 0 40 BEAB C[C@H]1CCc2cccc3c(O)cc(=O)n1c23 100631079 RIBPAGAFDHWHFK-QMMMGPOBSA-N 215.252 2.214 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H](O)[C@H]2C1 101966141 HNXZTSDGBCYUOE-VWYCJHECSA-N 241.331 2.014 0 40 BEAB C1CC[C@@H]2[C@H](C1)CCN[C@H]2CN1CCCC1 102224563 WYMMZJPKJFWTSS-MCIONIFRSA-N 222.376 2.251 0 40 BEAB CCc1ncc(NC(=O)[C@@H]2CC2(C)C)cn1 152453206 QUKPMCPNCSSNDB-VIFPVBQESA-N 219.288 2.024 0 40 BEAB Cc1cc2c(o1)C[C@H](C(F)F)C[C@H]2O 217646839 GKRRKYGITKISPK-HTRCEHHLSA-N 202.200 2.449 0 40 BEAB CCO[C@H](Cc1ccccc1Cl)C(=O)O 220528507 ZWYJIVFOTZXJNZ-SNVBAGLBSA-N 228.675 2.372 0 40 BEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@H]1c1ccccc1 250527154 PYLHKIJKHJTIMN-QEJZJMRPSA-N 246.306 2.089 0 40 BEAB Cc1nn(C)cc1NCc1ccnn1CC(C)C 256050845 GSELOVSNIHZNKT-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB CCCCNCc1ccnn1CC(C)C 256054943 YLFLYFBDUTYXTR-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB C[C@]12CCCN[C@@H]1CCCN2Cc1ccccn1 257224375 FBOLOFBWKTVUDZ-CABCVRRESA-N 245.370 2.188 0 40 BEAB NC[C@H](Cc1nc2ccccc2[nH]1)C(F)(F)F 575422730 CFUNMTJZYVVVAV-ZETCQYMHSA-N 243.232 2.243 0 40 BEAB N=C(N)[C@H]1C[C@H]1c1ccc(Br)cc1 575423450 NJRWLSBDDNFIKQ-IUCAKERBSA-N 239.116 2.489 0 40 BEAB Cc1cc(NC(=O)[C@@H]2CCC2(C)C)ncn1 622812888 GTSQJYQNZZVZKN-VIFPVBQESA-N 219.288 2.160 0 40 BEAB Cc1nn(CCCF)cc1Br 953063060 MAWWUAKJGSSGLF-UHFFFAOYSA-N 221.073 2.314 0 40 BEAB CC(C)n1c(S)nc2c(F)cccc2c1=O 1775968683 KUNDBBNMRBCJMQ-UHFFFAOYSA-N 238.287 2.405 0 40 BEAB Cc1csc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 1888844171 UBQZSSGJFOPCAG-CMPLNLGQSA-N 238.356 2.050 0 40 BEAB CCC1=C[C@@H](c2ccccc2)NC(=S)N1 60950 ARQAZXZMOHLMOZ-NSHDSACASA-N 218.325 2.499 0 40 BEAB COc1ccc(CSCC(=O)O)cc1C 522943 VGFYGDGYRAPNFH-UHFFFAOYSA-N 226.297 2.321 0 40 BEAB C[C@H]1CCCC[C@]12NC(=S)N(C(C)(C)C)N2 550091 QZZOYHXPHZOAIV-JOYOIKCWSA-N 241.404 2.386 0 40 BEAB COc1cccc(-n2nc3ccc(N)cc3n2)c1 570094 VCBQZIBASXFCRR-UHFFFAOYSA-N 240.266 2.011 0 40 BEAB COC(=O)n1cc2c(n1)-c1ccccc1OC2 1399802 IKITUNCQRZZSFP-UHFFFAOYSA-N 230.223 2.057 0 40 BEAB CCCC[C@@H](CC)CO[C@@H]1CCS(=O)(=O)C1 1565898 QVNCMGGYBIYJIG-VXGBXAGGSA-N 248.388 2.407 0 40 BEAB Cc1cccn2cc(CNC(=O)C(C)(C)C)nc12 2960804 YCJLKBSKBMTBHR-UHFFFAOYSA-N 245.326 2.305 0 40 BEAB CCCN1C[C@@H](COc2ccccc2)OC1=O 3204451 GZIHTPUAKUVTFL-LBPRGKRZSA-N 235.283 2.296 0 40 BEAB CCOc1cc(N2CCCC2)ccc1C=O 4999323 LNRKGHTUBSKKLH-UHFFFAOYSA-N 219.284 2.498 0 40 BEAB CN1CCC[C@](C(=O)O)(c2ccccc2)CC1 5698948 RJTBKADDKPPZOZ-CQSZACIVSA-N 233.311 2.125 0 40 BEAB O=C(c1ccc(Cl)cc1)N1CCSC1 5768205 AMYFRBVAQGXAHU-UHFFFAOYSA-N 227.716 2.487 0 40 BEAB COCCOc1ccc(N)c(C(F)(F)F)c1 14630293 PSBFRGLDOJPXGQ-UHFFFAOYSA-N 235.205 2.313 0 40 BEAB in-vitro CC[C@@H]1CCc2c(sc(N)c2C(=O)OC)N1 15020965 DFWUXLAMAXEFEJ-ZCFIWIBFSA-N 240.328 2.254 0 40 BEAB COc1ccc(OC)c(/C=C(/C)[N+](=O)[O-])c1 16974557 MQFREHNTGKNSRH-VURMDHGXSA-N 223.228 2.341 0 40 BEAB in-vitro CC1=CC(=O)N2Cc3cc(Cl)ccc3N=C2N1 17120015 VNTGHFCUTLWXJS-UHFFFAOYSA-N 247.685 2.177 0 40 BEAB C/C=C\C(=O)N1CCc2ccccc2C1 17376411 PMLBNJNJOBVUNL-DJWKRKHSSA-N 201.269 2.147 0 40 BEAB COc1cc2ccccc2cc/c1=N\O 17379561 UJCPQXFSVCLHRC-ACCUITESSA-N 201.225 2.138 0 40 BEAB COc1ccc(Cl)cc1CN1CCOCC1 20057123 RTVRGDQMOUTXLX-UHFFFAOYSA-N 241.718 2.181 0 40 BEAB CCOC(=O)CC(=O)c1ccc(C)c(C)c1 20475433 OWPLYYUFSYEWBK-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB in-vitro O=c1[nH]cnc2c(-c3ccc(F)cc3)c[nH]c12 21731070 SGNPYIIWIWIFON-UHFFFAOYSA-N 229.214 2.057 0 40 BEAB CC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 22047484 PKWJZPGTKVWEBH-UHFFFAOYSA-N 245.322 2.436 0 40 BEAB in-vitro NCC[C@H]1CCc2ccc3c(c21)CCO3 22066830 BFNUHWYOQCGTCA-SNVBAGLBSA-N 203.285 2.000 0 40 BEAB in-vitro COc1cc(F)ccc1NC(=O)c1ccncc1 25309573 PHOUTWBFQMDDIZ-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CN1CSC(=S)N(Cc2ccccc2)C1 31343370 BFLHJRCTMSBRPJ-UHFFFAOYSA-N 238.381 2.367 0 40 BEAB CSCc1ccc(C(=O)N2CCC2)cc1 32731927 ZOOSPCAYJANETP-UHFFFAOYSA-N 221.325 2.396 0 40 BEAB COCCCNc1nc(-c2ccccc2)no1 33265818 YEUZOSRWNWJBLX-UHFFFAOYSA-N 233.271 2.185 0 40 BEAB Cc1nc(-c2ccccc2F)sc1C(N)=O 33434391 QOVNFXQCSZMDHK-UHFFFAOYSA-N 236.271 2.357 0 40 BEAB Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)s1 40040480 FZJIXCMZJSKCCR-UHFFFAOYSA-N 249.339 2.062 0 40 BEAB CCn1ccc(=O)c2cc(F)cc(F)c21 40164122 FHXBVHZHUHQHKN-UHFFFAOYSA-N 209.195 2.300 0 40 BEAB CCc1ccccc1OC[C@H]1CCNC1 42772600 UIADPBRYEUIULD-NSHDSACASA-N 205.301 2.237 0 40 BEAB CC(=O)c1cnc(-c2ccncc2)s1 43796857 QYGSUBZGHQZGEV-UHFFFAOYSA-N 204.254 2.408 0 40 BEAB CC(C)N1CC[C@H](c2nc3ncccc3[nH]2)C1 49168814 RNKMHLLZGBBRIU-JTQLQIEISA-N 230.315 2.156 0 40 BEAB biogenic,in-vitro c1cc(-c2noc(C[C@H]3CCCNC3)n2)cs1 54301454 HMPMBTJDLOEQDC-SECBINFHSA-N 249.339 2.340 0 40 BEAB OC1(c2cccc3ccccc23)CCNCC1 55193330 UFPWCQRRHUQPFY-UHFFFAOYSA-N 227.307 2.411 0 40 BEAB CN[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207620 MHIYDVMZQYMYAT-ZJUUUORDSA-N 230.352 2.144 0 40 BEAB Cc1cc(=S)[nH]cc1[C@H]1CCCN1C=O 72218308 ILELZHSFIITTDC-SNVBAGLBSA-N 222.313 2.346 0 40 BEAB CN(C)c1ccc([C@H](O)c2ccccc2)cn1 72225145 FRCFRYRYQZHARY-CQSZACIVSA-N 228.295 2.229 0 40 BEAB Cc1nccn1-c1cccc(C2CCNCC2)n1 72344159 AJHQXQOQMNVBOZ-UHFFFAOYSA-N 242.326 2.043 0 40 BEAB CC(C)(C)n1nccc1C1CCNCC1 75869545 URISIILJOZMZDN-UHFFFAOYSA-N 207.321 2.105 0 40 BEAB N[C@@H]1CCCC[C@H]1N1CCc2ccccc2CC1 78814860 GPDIWTKRSWQQLY-HZPDHXFCSA-N 244.382 2.357 0 40 BEAB O=C(O)CCSC(F)(F)C(F)(F)F 80580048 JWJJVCWQVIYVJZ-UHFFFAOYSA-N 224.150 2.349 0 40 BEAB COc1ccc(F)cc1C(=O)c1ccccn1 84511865 POSOXNFUCMZCGO-UHFFFAOYSA-N 231.226 2.460 0 40 BEAB CCN(C)C(=O)NCCc1ccccc1C 84760772 IYOYKGRUHPKFTQ-UHFFFAOYSA-N 220.316 2.199 0 40 BEAB CC1(C)[C@@H](O)C[C@@H]1OCc1ccccc1 85508333 BJKWKWODHKPZTO-RYUDHWBXSA-N 206.285 2.363 0 40 BEAB O=c1cc(C2CCC2)ncn1Cc1nccs1 89702652 JAQFSLBLGNLVPE-UHFFFAOYSA-N 247.323 2.016 0 40 BEAB CC1CC(NC(=O)N[C@H]2C=CCCC2)C1 89920161 OSVZIJSCUPNIBR-YVNMAJEFSA-N 208.305 2.193 0 40 BEAB O=C1Nc2cc(C(F)(F)F)cc(Cl)c2C1=O 91366084 YADKGWVLINRNEB-UHFFFAOYSA-N 249.575 2.494 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](C(=O)O)C(C)(C)C 95836241 YYOSOHHBTSZOOE-MRVPVSSYSA-N 245.319 2.258 0 40 BEAB CC(C)[C@](C)(O)CNC(=O)/C=C/c1ccccc1 96441125 QSRGEKPTMAIQEZ-BOLDSZDNSA-N 247.338 2.223 0 40 BEAB CC(C)/C=C1\N[C@H](c2ccccc2)OC1=O 100083200 GFCWYYFWAQGXPR-KGTBHZDVSA-N 217.268 2.372 0 40 BEAB O=Cc1c[nH]c2c(Br)nccc12 100328537 UYHOVRLAQADKPV-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB COc1ccccc1N1CCN(C2CCC2)CC1 178974473 NDTDQANAODIJMO-UHFFFAOYSA-N 246.354 2.370 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@H](CO)C1 191061052 YLGDVAQFCQCMOB-MELADBBJSA-N 223.360 2.293 0 40 BEAB Cc1cc(F)c(CO)c(Br)c1 307594083 IDDIWMQWHDZJSQ-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB in-vitro Cc1ccc(-c2oncc2CO)cc1C 409424320 YLGQXAFAEFAMNL-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB Cc1cc(CN(C)[C@@H]2CCC[C@H]2F)no1 585386184 UZKNOWWXJMGRMS-GHMZBOCLSA-N 212.268 2.305 0 40 BEAB Cc1csc(O[C@@H]2CCC[C@H]2N(C)C)n1 585651232 BMAPRCKARMANGY-NXEZZACHSA-N 226.345 2.313 0 40 BEAB O=Cc1c(OC[C@H]2CO2)ccc2ccccc12 316618 BAPVEBLAKFNHGN-LLVKDONJSA-N 228.247 2.430 0 40 BEAB O=Cc1cccn1Cc1ccccc1F 808201 WFMSAHWKWXBPRA-UHFFFAOYSA-N 203.216 2.488 0 40 BEAB Cc1nc2ccccc2c(=O)n1C(C)C 1572237 CMKSVJMCGHVTAR-UHFFFAOYSA-N 202.257 2.286 0 40 BEAB NC12CCC(N)(c3ccccc31)c1ccccc12 1611609 IMAIIFPZDXJEDO-UHFFFAOYSA-N 236.318 2.198 0 40 BEAB CC[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 5599382 YDTOHZACIWPXLF-SNVBAGLBSA-N 222.240 2.430 0 40 BEAB CCCNCc1ccc(OC)c(OC)c1 6430891 VPUBSXGNIHAMMI-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB CCCn1c(SCc2ccccc2)n[nH]c1=O 9479732 KDDMJTNCZBDHCM-UHFFFAOYSA-N 249.339 2.274 0 40 BEAB Nc1nc2c(s1)[C@H](c1ccccc1)CC(=O)N2 12376140 NYTDQYAFVXMVKC-QMMMGPOBSA-N 245.307 2.199 0 40 BEAB O=C(O)c1ccnc(NCc2ccccc2)c1 19844758 RIWNMKBVGSKNLC-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB in-vitro CCC(=O)Nc1nc2ccc(N)cc2s1 20134494 KNGSVPLFIIMTEP-UHFFFAOYSA-N 221.285 2.227 0 40 BEAB CCCn1ccc(NCc2ccnn2CC)n1 20351012 NRLHMBYATSVYHI-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB O[C@@H](c1ccncc1)c1ccc(F)cc1 21983384 DKEGHLJMSDFYLF-GFCCVEGCSA-N 203.216 2.302 0 40 BEAB in-vitro Cc1cc(C(=O)NCCc2cccnc2)c(C)o1 23874924 RRLPVJUXOCRFMD-UHFFFAOYSA-N 244.294 2.264 0 40 BEAB Cc1ccc(C(=O)n2cccc/c2=N\C(C)C)o1 28618982 WMDHCFUJEOJOFK-FYWRMAATSA-N 244.294 2.387 0 40 BEAB CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 32859968 SHFCZNOUDFXTLM-UHFFFAOYSA-N 241.294 2.319 0 40 BEAB Cc1nc2ccccc2c(C)c1C(=O)OCCO 32903437 WPIOSLLUHDHOPZ-UHFFFAOYSA-N 245.278 2.001 0 40 BEAB O=C(O)C1(c2cccnc2)CCCCC1 34061621 XIRMOGUBQMRKQG-UHFFFAOYSA-N 205.257 2.368 0 40 BEAB in-vitro CC(C)CCn1cnc2ccc(N)cc2c1=O 35328445 KVSYDCWEOZGBND-UHFFFAOYSA-N 231.299 2.025 0 40 BEAB CCc1cc(=O)[nH]c(-c2ccc(F)cc2)n1 36755162 GZVBBWICNCRRLR-UHFFFAOYSA-N 218.231 2.138 0 40 BEAB CCCC[C@H](C)NCc1nnc2ccccn12 37235835 FYSFHDASWNSUHY-NSHDSACASA-N 232.331 2.398 0 40 BEAB CC(C)(C)c1cccc(OCC(=N)N)c1 37428869 VSJOCVYHLJZVPW-UHFFFAOYSA-N 206.289 2.299 0 40 BEAB COC(=O)Cc1sc(N)nc1-c1ccccc1 38342202 UEALQOSQARFHSD-UHFFFAOYSA-N 248.307 2.108 0 40 BEAB in-vitro C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc[nH]c2=O)C1 40499063 GSOWPRNKBVCIAJ-MNOVXSKESA-N 248.326 2.026 0 40 BEAB CC1(NC(=O)c2ccnc(F)c2)CCCC1 42187882 UKFCZNHHEAOQGA-UHFFFAOYSA-N 222.263 2.283 0 40 BEAB in-vitro COc1cccc2[nH]nc(Br)c12 44184779 NLBWDJBOEFTVDT-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro C[C@H](CNC1CCCC1)C(=O)OC(C)(C)C 47219133 HKHKVMSWNAZYCV-SNVBAGLBSA-N 227.348 2.496 0 40 BEAB CC[C@H](C)[C@H](C)NCCN1CCCCC1 49574645 FVEOGRVZVMUETE-STQMWFEESA-N 212.381 2.497 0 40 BEAB C[C@H]1CCN(c2ccc(F)cc2F)CCN1 49661449 MMIAVFTUGVDXRX-VIFPVBQESA-N 226.270 2.153 0 40 BEAB CCOC(=O)CN1CCc2sccc2[C@H]1C 49900858 KKMBONFQBPBRBN-SECBINFHSA-N 239.340 2.230 0 40 BEAB COC(=O)[C@@H](O)c1cccc(Cl)c1Cl 50974320 PWIYXISMBHIJAU-QMMMGPOBSA-N 235.066 2.200 0 40 BEAB in-vitro COc1ccc(NCc2ncc[nH]2)c(C)c1 61566821 DSVGKNJPCLQAST-UHFFFAOYSA-N 217.272 2.339 0 40 BEAB CCN(CC)CCCN[C@@H]1CCCSC1 61571277 PEOICROGXWQDTK-GFCCVEGCSA-N 230.421 2.204 0 40 BEAB O=C(O)C1(Cc2ccc(F)cc2)CCOCC1 61674713 CPOLLHRJRHXYKR-UHFFFAOYSA-N 238.258 2.250 0 40 BEAB in-vitro Nc1cc(-c2cc(F)c(F)c(F)c2)n[nH]1 63007311 VHTYSEWALCWTAV-UHFFFAOYSA-N 213.162 2.076 0 40 BEAB CN1CCC(=O)Nc2cc(Cl)ccc21 71372553 ANMZLKNIENHOLV-UHFFFAOYSA-N 210.664 2.118 0 40 BEAB in-vitro Cc1cc(Br)ncc1[C@H](C)N 72222959 GNZUOBDXTRYTDP-LURJTMIESA-N 215.094 2.172 0 40 BEAB C=Cc1ccc(N2CCN(C(C)C)CC2)nc1 72225622 KUAKHXFKFGBWQU-UHFFFAOYSA-N 231.343 2.255 0 40 BEAB Nc1ccccc1[C@H]1NC(=O)c2ccccc2O1 72397394 ZULQHFVCMQWLJO-AWEZNQCLSA-N 240.262 2.090 0 40 BEAB C[C@@H](CC(=O)NCCCC(=O)O)C(C)(C)C 82627996 NFDOOUNYLMBHEX-VIFPVBQESA-N 229.320 2.040 0 40 BEAB Cc1ccc(-c2noc(CSC(=N)N)n2)cc1 87464301 KTLIBSLIPCGEMJ-UHFFFAOYSA-N 248.311 2.172 0 40 BEAB Nc1cc(N2CCOCC2)cc(C(F)(F)F)c1 91695942 IVQIGNIDIKGVHH-UHFFFAOYSA-N 246.232 2.124 0 40 BEAB C[C@H](CC(=O)N(C)C)c1ccccc1F 95408239 BTXGSBOSMWEXLY-SECBINFHSA-N 209.264 2.408 0 40 BEAB CN(CC1(O)CCCC1)C(=O)OC(C)(C)C 95435807 DZMQMSTZZKJISQ-UHFFFAOYSA-N 229.320 2.158 0 40 BEAB CC(C)(C)COC(=O)C(=O)c1ccccc1 95884313 UQZYEQXZUOGYDU-UHFFFAOYSA-N 220.268 2.459 0 40 BEAB COC(=O)c1nc2ccccc2cc1C 95929563 QPMSEXVWDWSUNK-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB Cc1noc(C)c1CNC(=O)Nc1ccncc1 95955122 GTJNVHNZGPOQJD-UHFFFAOYSA-N 246.270 2.008 0 40 BEAB C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 95973266 BSFLWGWMCXAUIN-AVGNSLFASA-N 237.343 2.105 0 40 BEAB O=c1c(Cl)nccn1-c1ccccc1F 96516325 FMRHVGZJCKRTTD-UHFFFAOYSA-N 224.622 2.025 0 40 BEAB Cc1cccc(N(C)Cc2cnnn2C)c1C 97166085 SFOIVZXUNANESH-UHFFFAOYSA-N 230.315 2.068 0 40 BEAB O=C(O)[C@@H]1CCN1c1ccc(Cl)cc1 118088450 CIMUKURIXPLKPJ-VIFPVBQESA-N 211.648 2.003 0 40 BEAB CN1CC[C@@H](SCCC(C)(C)C)C1=O 187557691 OIZFMUFPWFUECV-SECBINFHSA-N 215.362 2.387 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CCC(O)CC1 191040267 DXDMRISQCGCOKA-JSGCOSHPSA-N 223.360 2.436 0 40 BEAB COc1ccc2c(NC(=O)C3CCC3)n[nH]c2c1 194827852 IGVDPQNHZSQDOI-UHFFFAOYSA-N 245.282 2.310 0 40 BEAB CC(=O)c1ccc([C@H]2CNC(=O)C2)cc1Cl 199776539 YETFRQLJMNUWSN-SECBINFHSA-N 237.686 2.146 0 40 BEAB Cc1ccc(C)c2c(NCCN)ccnc12 222676923 KRWTWASVNIAGMX-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB CO[C@@H](CNC(C)=O)c1ccc(Cl)s1 225699616 BFBVZDQHZQZJCU-ZETCQYMHSA-N 233.720 2.225 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]12CC[C@H](N)C2 307290076 ZVJHYQSIDJVEIE-GXFFZTMASA-N 240.347 2.267 0 40 BEAB CC(C)=C(F)c1nc(-c2nccn2C)no1 335178897 AXNBLHDGOAIXDO-UHFFFAOYSA-N 222.223 2.191 0 40 BEAB O=C(N[C@H]1C[C@@H]1C(F)F)c1ccccc1 335578566 ZMSAUDXBBRZQEU-IUCAKERBSA-N 211.211 2.070 0 40 BEAB O=c1ccc2[nH]ccc2n1C1CCCC1 641735787 ZZGSNWWVCZSDSC-UHFFFAOYSA-N 202.257 2.445 0 40 BEAB CCOC(=O)C1(c2cc(C)cc(C)c2)CC(=O)C1 685937109 JFKGWXFIPXDDQP-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB NC[C@H](O)c1cc(-c2ccco2)cs1 1775974132 BTHMEQXKGRIRQP-QMMMGPOBSA-N 209.270 2.000 0 40 BEAB Cc1cc(C)nc(O[C@@H]2CCC[C@H]2F)n1 1776009651 VPRWUKRJIXPJRZ-NXEZZACHSA-N 210.252 2.363 0 40 BEAB S=c1[nH]c2ccc3nsnc3c2[nH]1 246374 YLMLEQDRMOMGRM-UHFFFAOYSA-N 208.271 2.230 0 40 BEAB CC(C)Cc1ccc2c(N)c(C(N)=O)sc2n1 550052 VQBYPOJOOUZIOT-UHFFFAOYSA-N 249.339 2.176 0 40 BEAB CC(C)C[C@@H](N)CC(=O)OC(C)(C)C 2572714 WBOPVTYXLFEVGP-SECBINFHSA-N 201.310 2.092 0 40 BEAB in-vitro CCOP(=O)(OCC)c1ccc(O)cc1 2573153 RKDQFNLPHKSPGL-UHFFFAOYSA-N 230.200 2.284 0 40 BEAB biogenic N=c1oc2ccccc2cc1CSN 3850659 HXUSBYHCSYTKGG-UHFFFAOYSA-N 206.270 2.019 0 40 BEAB biogenic O=C(NC1CC1)c1ccc2c(c1)CCCC2 8077177 YDPFFWNAWTZKCQ-UHFFFAOYSA-N 215.296 2.458 0 40 BEAB N[C@H]1COc2c(Cl)cc(Cl)cc21 8699628 OKEOLIUJGZJCIX-ZETCQYMHSA-N 204.056 2.386 0 40 BEAB Cc1noc(C)c1CCC(=O)NCc1ccco1 9316629 IEAXIUYOVIMUCB-UHFFFAOYSA-N 248.282 2.133 0 40 BEAB O=C(O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10021433 YOUOTTVHRHEWFF-UHFFFAOYSA-N 246.241 2.198 0 40 BEAB in-vitro Cn1ccnc1[C@@H](N)c1ccccc1Cl 11735187 FCOWEDHMZHDPIM-JTQLQIEISA-N 221.691 2.122 0 40 BEAB c1ccc(-c2nc3c([nH]2)CCc2nonc2-3)cc1 13125721 BBXBIRVNMAFWMO-UHFFFAOYSA-N 238.250 2.225 0 40 BEAB CNCCC1CCN(Cc2ccco2)CC1 15424039 RZJMXRBLJHNEAU-UHFFFAOYSA-N 222.332 2.101 0 40 BEAB C[C@H](NCc1c(F)cccc1Cl)C(=O)O 19787724 RZDVELFLKLIEGH-LURJTMIESA-N 231.654 2.042 0 40 BEAB in-vitro CCCOC(=O)c1ccc(OCC)c(N)c1 20155544 RTQDHMJETOIMBW-UHFFFAOYSA-N 223.272 2.234 0 40 BEAB CCc1noc(COc2cccc(C=O)c2)n1 20253997 BXSQKEWALANFQL-UHFFFAOYSA-N 232.239 2.024 0 40 BEAB Cn1c(NC(=O)C2CCC2)nc2ccccc21 27924079 ATIAIBYIBFYGSD-UHFFFAOYSA-N 229.283 2.312 0 40 BEAB O=C(NCC1CCCC1)c1ccc2[nH]cnc2c1 29915243 OZFHYYKMGFETFL-UHFFFAOYSA-N 243.310 2.483 0 40 BEAB Nc1cccc2cnn([C@H]3CCCCO3)c12 30677812 VWVNXVCFAWCDRM-LLVKDONJSA-N 217.272 2.318 0 40 BEAB CCOc1ccccc1[C@@H]1C[C@H]1C(=O)O 31829282 VZAUHNCDYIPCJR-VHSXEESVSA-N 206.241 2.273 0 40 BEAB Cn1cc(C(=O)O)c(-c2ccc(Cl)cc2)n1 31885840 UMOGYEIWMBOBTE-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB O=C(NC1CCCC1)c1ccc2c(c1)CCO2 32795524 PGQFILXHELEKTK-UHFFFAOYSA-N 231.295 2.294 0 40 BEAB CC(=O)NCCc1ccccc1Br 34543041 VVSUNRPCFIIDQL-UHFFFAOYSA-N 242.116 2.128 0 40 BEAB CCOc1ccc(/C=C\[N+](=O)[O-])cc1OC 34887880 OHUVDXRCVIKNNH-SREVYHEPSA-N 223.228 2.341 0 40 BEAB CCCOc1ccc(CC(=O)O)cc1C 36193815 QWFIWIRMLLQNTR-UHFFFAOYSA-N 208.257 2.411 0 40 BEAB C=CC(=O)Nc1cccc(N2CCCC2)c1 37790071 CJUUWUOFXGMFOV-UHFFFAOYSA-N 216.284 2.411 0 40 BEAB CC(=O)Nc1ccc2c(c1)C(=O)CCC2 39369616 GWITZVQYQPVXQC-UHFFFAOYSA-N 203.241 2.164 0 40 BEAB CC(C)NC(=O)CSCCc1ccccc1 40018151 FICGJDFPMOSGNO-UHFFFAOYSA-N 237.368 2.487 0 40 BEAB CSCCC(=O)NCc1cccs1 40457620 CRGCQKQXTUUSKZ-UHFFFAOYSA-N 215.343 2.117 0 40 BEAB Cc1ccc(CN(C)[C@H]2C[C@H](C)OC2=O)c(C)c1 40477644 LCGBZLIALHHGHC-JSGCOSHPSA-N 247.338 2.439 0 40 BEAB CCOc1ccc(C(=O)NCc2ccco2)cn1 40553212 RHIIYZSGKOXQIQ-UHFFFAOYSA-N 246.266 2.003 0 40 BEAB CCOc1ccc([C@H](CO)N2CCCC2)cc1 41265939 PMKVULKWGMDLAQ-AWEZNQCLSA-N 235.327 2.215 0 40 BEAB COC(=O)c1ccccc1[C@H]1CCCCN1 44135440 IEQZQZOYCGACDC-GFCCVEGCSA-N 219.284 2.288 0 40 BEAB CCN(CC)C(=O)C(=O)Nc1cc(C)ccc1C 48724697 SCXTWALZSYBNFN-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB CCCCc1cc(NC(=O)c2cccnc2)[nH]n1 49495988 UYFRBFRVYHRNEV-UHFFFAOYSA-N 244.298 2.400 0 40 BEAB CCOc1ccc(Br)c(N)c1 70461206 DOPJZEFNKUPCGP-UHFFFAOYSA-N 216.078 2.430 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC12CCNCC2 71373381 MWGPVHPVWMHJMP-SNVBAGLBSA-N 240.347 2.043 0 40 BEAB c1ccc([C@H]2C[C@H]2CN2CCCNCC2)cc1 71477102 KJWVAYDVQDFQKH-LSDHHAIUSA-N 230.355 2.085 0 40 BEAB CC1(C)[C@@]2(CC(=O)O)CC[C@]1(C)[C@@H](O)C2 72207011 AALGVLMQGQLLPJ-AXTRIDKLSA-N 212.289 2.038 0 40 BEAB OCc1ccc(NCc2ccccc2)nc1 72225341 JBXFJOULOCIQKW-UHFFFAOYSA-N 214.268 2.186 0 40 BEAB Cc1ccsc1CN(CCO)C1CC1 79436117 ONTSKFJEGGFFNF-UHFFFAOYSA-N 211.330 2.013 0 40 BEAB COc1ccc2ncccc2c1C(C)=O 82778862 BPWJKOHQVJTKGC-UHFFFAOYSA-N 201.225 2.446 0 40 BEAB O=C1NC[C@H](c2ccc(C(F)(F)F)cc2)O1 83967374 ZWGMNGIRYITIQN-MRVPVSSYSA-N 231.173 2.486 0 40 BEAB in-vitro COCC(=O)Nc1ccc(OCC2CCC2)cc1 89409666 DBHQFFLDTNOVOT-UHFFFAOYSA-N 249.310 2.450 0 40 BEAB CNC(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 95396871 ZWGPEAZNLXAPGK-CHWSQXEVSA-N 248.326 2.306 0 40 BEAB C[C@@H]1CN(c2ncc(Cl)cn2)CCS1 95406800 GIZQCIWQPSCETD-SSDOTTSWSA-N 229.736 2.072 0 40 BEAB C[C@H](CCO)CNC(=O)CC1(C)CCCCC1 95435532 VZIMZNSMGPQRFM-GFCCVEGCSA-N 241.375 2.482 0 40 BEAB C[C@H](O)C1(c2cccc(N(C)C)c2)CC1 95739151 NVBAQDJNZQJTBP-JTQLQIEISA-N 205.301 2.165 0 40 BEAB COC(=O)c1ccc(C)c2cccnc12 95929764 NEQZIQJSHJZFON-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB Cc1ccc(CN2C[C@H]3COC[C@@H]3C2)cc1 96054902 CNGRAOAKMAGIBK-KBPBESRZSA-N 217.312 2.073 0 40 BEAB Cc1cc(S[C@H]2CCO[C@H]2C)ncn1 96484039 OUSLERQSKDTGFE-IUCAKERBSA-N 210.302 2.055 0 40 BEAB CC(C)CCN1C[C@@]2(C)CNC[C@](C)(C1)C2 100475516 VXEJACCJDQUKSR-ZIAGYGMSSA-N 224.392 2.354 0 40 BEAB c1ccc(CN2C[C@H]3CCC[C@H](C2)N3)cc1 100494577 FYSCXTRDKBSUBL-ZIAGYGMSSA-N 216.328 2.013 0 40 BEAB Nc1c(C(=O)O)sc2ccc(F)cc12 107151386 ABJPPVCFRACXCE-UHFFFAOYSA-N 211.217 2.321 0 40 BEAB c1ccc2c(C[C@H]3COCCN3)cccc2c1 115404359 BWJGHJXEKSAXFU-AWEZNQCLSA-N 227.307 2.371 0 40 BEAB C[C@H]1CCCC[C@H]1N(C)CCn1ccnc1 119999487 ANXANKBEWPXVKS-QWHCGFSZSA-N 221.348 2.394 0 40 BEAB COc1ccc(CN2CCCCC2)cn1 130865101 OJNPYTDHIGDPSQ-UHFFFAOYSA-N 206.289 2.076 0 40 BEAB Cc1cc(C)nc(NC(=O)COCC2CC2)c1 152923555 DRHSJSFUGNMXCL-UHFFFAOYSA-N 234.299 2.064 0 40 BEAB CCN(C(C)=O)[C@H]1CN(C)C2(CCCCC2)C1 205699787 ZQRFNCHVCNWMJA-CYBMUJFWSA-N 238.375 2.262 0 40 BEAB CC(C)c1ccc([C@@H]2CN(C)C[C@@H]2CO)cc1 217671646 OLZNQGPPDNVRMI-CABCVRRESA-N 233.355 2.448 0 40 BEAB CCn1cc(CNCc2ccc(F)s2)cn1 256052606 NZMWCIDQXAFVES-UHFFFAOYSA-N 239.319 2.393 0 40 BEAB COc1cc(CNc2c(C)cnn2C)ccc1O 256052879 PAINPWQIXWSMOJ-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB c1c(C2CCOCC2)n[nH]c1C1CCOCC1 256053688 SKOBCOQOPLUOOT-UHFFFAOYSA-N 236.315 2.198 0 40 BEAB COCCN1CCC(Cc2ccnc(C)c2)CC1 257222442 DTIBYVDKUDQFPS-UHFFFAOYSA-N 248.370 2.291 0 40 BEAB Cn1c(OCC2CCC2)nc2cccnc21 585654981 PJIMMVAYICUZFA-UHFFFAOYSA-N 217.272 2.147 0 40 BEAB C[C@H](C[C@@H](C)C(=O)Nc1ccccc1)C(=O)O 345919 XPYGARPDBLWJQB-NXEZZACHSA-N 235.283 2.372 0 40 BEAB CCCC[C@H]1SC(CC)(CC)C(=O)NC1=O 2035534 DYLJZADGRHHBKQ-SECBINFHSA-N 243.372 2.494 0 40 BEAB Cc1cc(C(=O)n2nnc3ccccc32)cs1 2751782 KIJBGDAKKDRTBM-UHFFFAOYSA-N 243.291 2.490 0 40 BEAB O=CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 3843463 QBRCLMGOKXKHER-CABCVRRESA-N 241.290 2.207 0 40 BEAB biogenic O=C(O)[C@H]1c2cccc3cccc(c23)[C@@H]1C(=O)O 3850367 RWSYNXBHJLTYDC-RYUDHWBXSA-N 242.230 2.190 0 40 BEAB biogenic CCCc1cccc2cc(C=O)c(=O)[nH]c12 4906357 GKKIMHPHTSQNLO-UHFFFAOYSA-N 215.252 2.293 0 40 BEAB CCS(=O)(=O)Nc1ccc(C)cc1C 5392654 TWOKSVUQNKDIIC-UHFFFAOYSA-N 213.302 2.065 0 40 BEAB Cc1ccnc(NC(=O)Cc2c(C)noc2C)c1 9118014 NKVBGIOSHLDTFG-UHFFFAOYSA-N 245.282 2.176 0 40 BEAB CCn1nccc1NC(=O)c1cccc(C)c1 12062762 GNCNMRKODMBKKC-UHFFFAOYSA-N 229.283 2.464 0 40 BEAB Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1F 13012540 CUGDGPRVCBMCBW-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB CN(C)CCCNC(=O)CCC1CCCC1 16970999 IOXRLQMLRUKVBI-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB Fc1cccc(OC[C@H]2CCCCN2)c1 19472723 JNKQOTOZZCIRMG-LLVKDONJSA-N 209.264 2.347 0 40 BEAB COCCN[C@@H]1CCCc2ccccc21 19881794 WTYQEXQUYIQNBQ-CYBMUJFWSA-N 205.301 2.300 0 40 BEAB Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1 20272894 MDRBCQOOJMXHOC-UHFFFAOYSA-N 237.262 2.172 0 40 BEAB CCOC(=O)c1ccc(-c2cncnc2)cc1 22015377 JLVURWFSACDGNK-UHFFFAOYSA-N 228.251 2.320 0 40 BEAB C[C@H]1CCC[C@@H](Nc2ncnc3c2cnn3C)C1 25571758 DRMYJUKLZOQQMY-VHSXEESVSA-N 245.330 2.354 0 40 BEAB CC(C)[C@H](C)NC(=O)c1ccc2c(c1)OCCO2 25975694 CMUINWSSTLVSEG-JTQLQIEISA-N 249.310 2.232 0 40 BEAB CC(C)c1cc2cc(CC(=O)O)ccc2[nH]c1=O 32101977 FUGOWCGMKGKXOT-UHFFFAOYSA-N 245.278 2.279 0 40 BEAB CSCC(=O)Nc1cc(F)ccc1C 33002181 KOUFMQYWBSTNKV-UHFFFAOYSA-N 213.277 2.436 0 40 BEAB CC(C)OC(=O)[C@H]1[C@H](C)C1(Cl)Cl 33414731 JFFYDGAPRCIEIN-NTSWFWBYSA-N 211.088 2.378 0 40 BEAB Cc1cccc(CN[C@@H]2CCC[C@@H](O)C2)c1 37164504 WBCXLTOKDPYIMH-ZIAGYGMSSA-N 219.328 2.388 0 40 BEAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CN1 39477433 PDTLMKLERGEENQ-MRVPVSSYSA-N 229.201 2.309 0 40 BEAB CCCc1nnc(C)n1-c1cccc(O)c1 40537973 VIDVWORNXITSGH-UHFFFAOYSA-N 217.272 2.234 0 40 BEAB Cc1cccc(OC[C@H]2CCNC2)c1C 42772529 RMNREPZXICDJFX-LBPRGKRZSA-N 205.301 2.292 0 40 BEAB CCCc1cc(C(=O)N(C)C2CCCC2)[nH]n1 44228109 SQYUAPPBSZUFLY-UHFFFAOYSA-N 235.331 2.377 0 40 BEAB CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 49708374 STCVCYHAQNLPFA-GXTWGEPZSA-N 218.344 2.259 0 40 BEAB in-vitro Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)O 49831269 QMVGZGWXCPHJFW-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB NC1CCC(NCc2ccccc2F)CC1 51693360 UAPGSJFRRQKPEX-UHFFFAOYSA-N 222.307 2.185 0 40 BEAB CCN1CCC[C@H]1c1cnc(N)c(C)c1 72218432 VMWWWYACWAJDNS-NSHDSACASA-N 205.305 2.129 0 40 BEAB CNCc1ccc(I)cc1 72220716 PKIUBCFWCKZLSV-UHFFFAOYSA-N 247.079 2.011 0 40 BEAB CCC[C@@H]1CN2Cc3ccccc3C[C@@H]2CN1 72233389 AGEZHCYRAHAXFV-HUUCEWRRSA-N 230.355 2.185 0 40 BEAB CCC(=O)N1CCC[C@H]1c1nc(C)cc(C)n1 72361321 UZBAKAVTAVXYGA-NSHDSACASA-N 233.315 2.167 0 40 BEAB CC(C)(C)OC(=O)NC1C(C)(C)C(N)C1(C)C 74942160 JVWUWZXDMXHJTA-UHFFFAOYSA-N 242.363 2.273 0 40 BEAB Cn1c(S)nnc1-c1ccc(F)cc1F 77340802 OSHDTMLJIKNWEZ-UHFFFAOYSA-N 227.239 2.049 0 40 BEAB Cc1nsc(C=O)c1Br 84239164 SOUZBJCWGFFUEI-UHFFFAOYSA-N 206.064 2.027 0 40 BEAB COC(=O)c1nc2cc[nH]c2cc1Cl 89221359 XHUUUJGZKHXSQK-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB COc1ccc2nc(Cl)c(CN)cc2c1 89262004 YKCOULMTNSEYBM-UHFFFAOYSA-N 222.675 2.356 0 40 BEAB C[C@H]1CN(C(=O)Nc2cccnc2)C[C@@H]1C 95403832 QTDBFWOHFVEURP-UWVGGRQHSA-N 219.288 2.201 0 40 BEAB Cn1ccc(-c2ccc(Br)cn2)n1 95629631 ISCOXVDHAKWFHJ-UHFFFAOYSA-N 238.088 2.245 0 40 BEAB Fc1cccc2c1CC[C@]21CCCNC1 95635322 OASOAUKDUNYFHD-ZDUSSCGKSA-N 205.276 2.393 0 40 BEAB in-vitro O=C(CNC(=O)C1CC=CC1)c1cccs1 95977264 IHJZXTCUMAPUTP-UHFFFAOYSA-N 235.308 2.013 0 40 BEAB CCCOC1(CNC(C)=O)CCCCC1 96451832 UOCCAJJJNXIPDY-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB CC[C@H]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228307 KPHBFEWYDGQDKB-ZDEQEGDKSA-N 209.333 2.092 0 40 BEAB N=C(N)c1ccc(Br)cc1Cl 126450912 DWTNSBXAMQKMPP-UHFFFAOYSA-N 233.496 2.387 0 40 BEAB COC(=O)c1cccc(Cc2c[nH]cn2)c1C 169458057 GKPBGZDPDWMPEP-UHFFFAOYSA-N 230.267 2.096 0 40 BEAB in-vitro CC(C)(CN[C@@H]1CCCc2ccccc21)C(N)=O 183643930 KZNMTAQMFOEZDF-CYBMUJFWSA-N 246.354 2.165 0 40 BEAB CCc1cc(N)ccc1NC(=O)C(C)C 226317185 XNVSQBOYXKUANX-UHFFFAOYSA-N 206.289 2.426 0 40 BEAB CCNCc1cn(Cc2ccccc2)cn1 233524981 SFCJLGWVQUVOTP-UHFFFAOYSA-N 215.300 2.041 0 40 BEAB C1CNC[C@H](CN2CC[C@H]3CCCC[C@H]3C2)C1 242649035 RSFGURGCIUVVEK-KFWWJZLASA-N 236.403 2.498 0 40 BEAB CNC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 256050828 GQOXRGPBNSWUJQ-MNOVXSKESA-N 242.363 2.241 0 40 BEAB O=C(NC1CC1)c1cc(F)cc(Cl)c1 268318384 JXVDMGXQWLWQPS-UHFFFAOYSA-N 213.639 2.371 0 40 BEAB Cc1ccccc1-c1nc(CO)c(C)o1 409422415 FQYJAKHITZKPJX-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB CNC(=O)N1CC(C)(C)c2ccc(F)cc21 649495420 QDHLWJCOQCPMIA-UHFFFAOYSA-N 222.263 2.263 0 40 BEAB Cn1cc2c(F)cc(Br)cc2n1 710681189 GWEJUSHUYCLGNR-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB Cc1ncsc1C(=O)N1CCC[C@H](CF)C1 881591996 BODJNAOAIJRXBM-SECBINFHSA-N 242.319 2.273 0 40 BEAB Cc1ccc(Cl)cc1NS(C)(=O)=O 30312 CGOOIJGAUZIHTI-UHFFFAOYSA-N 219.693 2.020 0 40 BEAB CC(C)CC(=O)Nc1cccc(C(=O)O)c1 50332 CYEBTRNKMLBMGS-UHFFFAOYSA-N 221.256 2.369 0 40 BEAB COc1ccc(OC(=O)C2CCC2)cc1 363620 DNZCZKNTHJOOQO-UHFFFAOYSA-N 206.241 2.401 0 40 BEAB OCCCN1CCC(Cc2ccccc2)CC1 1894687 ANVYDPPSXYFBQK-UHFFFAOYSA-N 233.355 2.324 0 40 BEAB NC[C@@H](c1ccccc1Cl)[C@@H]1CCCN1 2513184 CLQOCVWWNBVYJO-JQWIXIFHSA-N 224.735 2.134 0 40 BEAB COC(CNCc1ccc(SC)cc1)OC 6541920 OPMFIDWEJBVKFH-UHFFFAOYSA-N 241.356 2.117 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)n(C)n2)c(C)c1 9280223 JYAQYAAJWHZGLD-UHFFFAOYSA-N 230.267 2.402 0 40 BEAB CNCc1ccc(Oc2cncc(C)n2)cc1 12370737 DAHTXAIQFDPRFK-UHFFFAOYSA-N 229.283 2.297 0 40 BEAB in-vitro COC[C@H](C)NC(=O)Nc1cccc(Cl)c1 18177922 HSNAMDNCUGKZRX-QMMMGPOBSA-N 242.706 2.496 0 40 BEAB CCN(CC)CCNCc1ccc(F)cc1 19919128 OIZOMDRDTYFBKQ-UHFFFAOYSA-N 224.323 2.257 0 40 BEAB CCN1CCC[C@H]1CNCc1cccc(F)c1 19959547 GRNNKDBWUIGPAD-AWEZNQCLSA-N 236.334 2.400 0 40 BEAB Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCO2)c1 20343069 MMCBXFYAODEJAH-JTQLQIEISA-N 240.690 2.040 0 40 BEAB Cc1ccc(N)cc1NC(=O)c1ccccn1 21959426 BSBRRRALNJMPND-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCc1cc(CCCO)cc(CC)c1N 22048305 JEAUOADZGGZCFQ-UHFFFAOYSA-N 207.317 2.319 0 40 BEAB in-vitro Cc1cc(F)ccc1NC(=O)c1cn(C)nc1C 28224973 FWVQRNQPFSZQEN-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB Cc1nc(COc2ccc(C(N)=O)cc2)cs1 32747839 CMNIGJARXQIVDC-UHFFFAOYSA-N 248.307 2.129 0 40 BEAB Cc1cc([C@@H]2CCCN2c2ncccn2)no1 32770061 GYIATOUNOCIWGU-NSHDSACASA-N 230.271 2.115 0 40 BEAB COc1ccc(OC)c([C@@H]2CCCN2C(C)=O)c1 32819172 HUKPYMQSFICYEX-ZDUSSCGKSA-N 249.310 2.387 0 40 BEAB CC(C)Cn1nc(-c2ccc(F)cc2)oc1=O 32823763 CWYDMLZXRSPNEI-UHFFFAOYSA-N 236.246 2.298 0 40 BEAB COC(=O)c1c(Cl)ccc(C(=O)O)c1Cl 34476110 VOLRWDMWBJIQDG-UHFFFAOYSA-N 249.049 2.478 0 40 BEAB CC(C)[C@@H](N)c1nc2ccccc2n1C 36895894 RRJWFRVOKOQSRC-LLVKDONJSA-N 203.289 2.229 0 40 BEAB CC(C)(C)C(=O)N1CCc2cc(C(=O)O)ccc21 37302318 ZZDFRCKSVHUFMF-UHFFFAOYSA-N 247.294 2.320 0 40 BEAB in-vitro CC[C@](O)(C(=O)O)c1cccc(Cl)c1 40733721 UBAZPZJVHDVJLY-SNVBAGLBSA-N 214.648 2.022 0 40 BEAB in-vitro CC(=O)c1ccc(O[C@@H]2CCCNC2)cc1 42775778 AXJYXYASGXNTSS-CYBMUJFWSA-N 219.284 2.020 0 40 BEAB Cc1cc(NN)nc(Nc2ccccc2C)n1 44845937 COFZSZPFMBLPJP-UHFFFAOYSA-N 229.287 2.123 0 40 BEAB NCCCNc1ccc(C(F)(F)F)cc1 52945677 CRGGDQSMXBQQDP-UHFFFAOYSA-N 218.222 2.466 0 40 BEAB CC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1 57218722 JKGLTCBDQLNFEM-UHFFFAOYSA-N 247.294 2.014 0 40 BEAB CN(Cc1ccccc1Cl)[C@H]1CCOC1=O 58203072 RLRBFGDOIBLOEV-NSHDSACASA-N 239.702 2.087 0 40 BEAB Cc1ccc(OCCC(=O)NCC2CC2)cc1 69419898 WQMFRSZQQNYWFH-UHFFFAOYSA-N 233.311 2.290 0 40 BEAB CCOC(=O)c1nc(C2CCCCC2)no1 71009318 WEXCNBIXEVOKSO-UHFFFAOYSA-N 224.260 2.294 0 40 BEAB O=C(C1CCCC1)N1CCC[C@H](c2cc[nH]n2)C1 72187689 MPTRLGLWTNTYEF-LBPRGKRZSA-N 247.342 2.306 0 40 BEAB COCc1nc(C)cc(N2C[C@H]3[C@@H](C2)C3(C)C)n1 80695782 FCSNQOWLKQPSKM-PHIMTYICSA-N 247.342 2.024 0 40 BEAB Cc1ccc(CNC2CCOCC2)c(N(C)C)c1 84958625 WEEWBWWZUUWFBA-UHFFFAOYSA-N 248.370 2.330 0 40 BEAB CSc1nccc(-c2ccc(C(=O)O)o2)n1 85392486 KPTRZWFWBAVGSJ-UHFFFAOYSA-N 236.252 2.157 0 40 BEAB Fc1cncc(-c2noc([C@H]3CCCCN3)n2)c1 95096659 YLWRSEFEVJATMX-SNVBAGLBSA-N 248.261 2.085 0 40 BEAB O=C(Nc1ccccc1)N1CC[C@@H]2OCC[C@@H]2C1 96054947 OCQGTLKSIFYWBR-YPMHNXCESA-N 246.310 2.329 0 40 BEAB CCOC(=O)NC[C@H](OC)c1ccsc1 96097359 BQTUIXISRGZEAL-VIFPVBQESA-N 229.301 2.182 0 40 BEAB CCOC(=O)[C@@H]1C[C@H](C(F)(F)F)CCC1=O 96509634 WUFBIEFFUPMRDQ-RNFRBKRXSA-N 238.205 2.097 0 40 BEAB CCNC(=O)CNc1ccnc2ccc(C)cc12 97102970 BRFJDZAKVBZDQY-UHFFFAOYSA-N 243.310 2.091 0 40 BEAB Cc1ncccc1CN(C)Cc1ccccn1 97113800 IMTQCTDMPPMEPB-UHFFFAOYSA-N 227.311 2.417 0 40 BEAB Cc1ccc2c(c1)OCCN2Cc1csnn1 97379106 PLDLLXKMAZIHTB-UHFFFAOYSA-N 247.323 2.246 0 40 BEAB c1cc(CCN2CC[C@@H]3OCCC[C@@H]3C2)ccn1 98020594 WELWIQXHGYPTLW-CABCVRRESA-N 246.354 2.125 0 40 BEAB CC(C)(C)OC(=O)[C@@H](O)CCc1ccccc1 113936591 BPVGMSZRMOLZLF-LBPRGKRZSA-N 236.311 2.322 0 40 BEAB O=c1[nH]cc(F)c2ccc(Br)cc12 140477542 OCGGCFXJZYMUHC-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB O=C(c1ccsc1)N1CC[C@@H](c2ccn[nH]2)C1 205687742 SSWWOXTWXDOLNG-SECBINFHSA-N 247.323 2.101 0 40 BEAB c1cc(CC2CCNCC2)nc(-c2ccn[nH]2)c1 205691932 WFSMTXTVYCNLOX-UHFFFAOYSA-N 242.326 2.014 0 40 BEAB Cc1ncc(C(=O)Nc2cccc(F)c2)cn1 222588207 YSVRKUTUKKTSOV-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB COc1ccccc1-n1cnc2ncccc21 228927184 IGUVIPISCJSLPJ-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB CCCC1=NN[C@H]2CC(C)(C)CC(=O)[C@@H]12 228929745 DCXXPROQGVEQJV-ONGXEEELSA-N 208.305 2.120 0 40 BEAB CCCn1cc(NCc2ccnn2CC)c(C)n1 256052148 MBMTYQHKEMXVLJ-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB ON=Cc1ccc(Br)c(F)c1 257351057 BWRQWJFKAYMQSH-UHFFFAOYSA-N 218.025 2.396 0 40 BEAB CCCN(c1ccccc1OC)[C@H](C)C(=O)O 260679396 LGVWVEWHSPDPSQ-SNVBAGLBSA-N 237.299 2.385 0 40 BEAB O=Cc1c(Cl)cnc(Br)c1F 261506735 ANHYZQSDPPTTRJ-UHFFFAOYSA-N 238.443 2.449 0 40 BEAB CN1CCCc2c(c3ccccc3n2C)C1=O 407947196 IEWIWTMTEUMDHJ-UHFFFAOYSA-N 228.295 2.197 0 40 BEAB CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CC1=O)C2 1857793615 DQVCKOBFIQDJHQ-QPUJVOFHSA-N 225.288 2.023 0 40 BEAB c1cc(-c2nnc3n2CCCCC3)ccn1 179377 RZQQPARKDTYYBY-UHFFFAOYSA-N 214.272 2.067 0 40 BEAB CC(C)C[C@@H](C)NS(=O)(=O)c1ccccc1 364042 HOTWSKFALOQVGX-LLVKDONJSA-N 241.356 2.400 0 40 BEAB Cc1ccccc1Nc1ncnc2c1cnn2C 838235 HDLMKZFSQQAMKU-UHFFFAOYSA-N 239.282 2.415 0 40 BEAB COc1cccc(-c2nnc(SC)n2C)c1 1332805 LXEFNMZOYBGHPE-UHFFFAOYSA-N 235.312 2.213 0 40 BEAB CCN(CC)C(=O)C1(OC(C)=O)CCCCC1 1711277 BHJNMGSFVLFWAC-UHFFFAOYSA-N 241.331 2.121 0 40 BEAB Nc1ccccc1C(=O)Oc1ccccc1 2015863 ZBFSYQBEXZGTAX-UHFFFAOYSA-N 213.236 2.488 0 40 BEAB in-vitro OCCSc1ncnc2c1oc1ccccc12 2435732 UAJDCIINZLHZAE-UHFFFAOYSA-N 246.291 2.460 0 40 BEAB O=C(c1ccc(CN2CCC2)cc1)C1CC1 2514647 HCHOASKTNXRMIR-UHFFFAOYSA-N 215.296 2.485 0 40 BEAB O=C(NC1=NCCS1)c1ccccc1Cl 3343595 GJEYHEODGYKSEY-UHFFFAOYSA-N 240.715 2.173 0 40 BEAB O=C(O)c1cc(NCc2ccccc2)ccn1 3356977 VCNIHBWVYVCMRK-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB in-vitro O=C1CCC[C@@H]1CNCc1ccccc1 5119404 KWRGIFDKCLUXGK-GFCCVEGCSA-N 203.285 2.145 0 40 BEAB Cc1c2n(c3ccccc13)C[C@@H]1CON(C)[C@H]21 5552339 RCJBKGVIIPIVRD-YGRLFVJLSA-N 228.295 2.498 0 40 BEAB Cc1cc2c(cc1Br)OCO2 5765255 COXSGYIDZGDCAR-UHFFFAOYSA-N 215.046 2.486 0 40 BEAB in-vitro COC(=O)c1ccccc1NC(=O)C1CCC1 8987133 FQALOQUYCBJZQF-UHFFFAOYSA-N 233.267 2.212 0 40 BEAB Cc1cc(NC(=O)NCc2ccccc2F)no1 9218279 AJNNEIGRFUWTTQ-UHFFFAOYSA-N 249.245 2.444 0 40 BEAB CCOC(=O)Cc1cn2cc(Cl)ccc2n1 9238565 JZTURCHIBDOZFO-UHFFFAOYSA-N 238.674 2.093 0 40 BEAB CC(C)CCNc1nc(Cl)nc2[nH]cnc12 9419234 OVOOXYQQLZKLSD-UHFFFAOYSA-N 239.710 2.464 0 40 BEAB O=C1Nc2ccccc2C12O[C@H]1CCCC[C@H]1O2 12409186 BXNQCLJYOVTQDD-ONXXMXGDSA-N 245.278 2.150 0 40 BEAB Cc1ccccc1CCNC(=O)NC(C)C 12984177 WJBFZJSCWQQPRC-UHFFFAOYSA-N 220.316 2.245 0 40 BEAB Cc1ccc(C(=O)N2CCCC[C@@H]2CCO)cc1 16291901 QMYYCSPOMYCUCC-CQSZACIVSA-N 247.338 2.372 0 40 BEAB NCc1cccnc1Oc1ccccc1 19257938 FZHUTEWGNZVBIR-UHFFFAOYSA-N 200.241 2.333 0 40 BEAB COc1ccccc1CNc1cnn(C)c1 20350267 GZSBSXQKEWNUQT-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB NCc1ccc(-c2nc3cnccc3o2)cc1 22124261 ARWZPSFKWSWVPZ-UHFFFAOYSA-N 225.251 2.349 0 40 BEAB O=C(Nc1ccccn1)c1ccc2c(c1)CCO2 24444912 QWVXEDIKALBZIJ-UHFFFAOYSA-N 240.262 2.269 0 40 BEAB C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1 26781758 GEYOICCKNWSVAB-UONOGXRCSA-N 249.354 2.301 0 40 BEAB COc1cc2c(cc1OC)[C@@H](C)CC2=O 32231825 SOCFELMKQMPCFC-ZETCQYMHSA-N 206.241 2.394 0 40 BEAB CC(C)NC(=O)c1ccn(-c2ccccc2)n1 32632743 YYPVTHGJWHRHHL-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB COC(=O)c1cn([C@@H](C)c2ccccc2)cn1 33362787 HLEIWUQTVWLQIB-JTQLQIEISA-N 230.267 2.279 0 40 BEAB in-man CC(=O)CCCCNC(=O)OC(C)(C)C 34410622 YSBSLGMWGAIEEA-UHFFFAOYSA-N 215.293 2.270 0 40 BEAB in-vitro CC[C@@H](N)[C@H](O)c1ccc(C(F)(F)F)cc1 36779489 DBHGTVSFCLFFJL-NXEZZACHSA-N 233.233 2.476 0 40 BEAB in-vitro CC(F)(F)COC(=O)c1ccccc1 39115518 OSISZHAFUYRKPE-UHFFFAOYSA-N 200.184 2.499 0 40 BEAB CC(=O)c1c[nH]c2c(Cl)cccc2c1=O 40176328 VVJZHKKWKZYWNG-UHFFFAOYSA-N 221.643 2.384 0 40 BEAB CCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 41194513 XIYDXOVBCWBWIY-NWDGAFQWSA-N 225.332 2.347 0 40 BEAB CCc1nc2cc(C(=O)OC)cc(OC)c2o1 43827888 MVLOQZFMMCQTLJ-UHFFFAOYSA-N 235.239 2.185 0 40 BEAB O=C(Cc1ccncc1)c1ccc(O)cc1 43830536 IGHCECFXVHADNM-UHFFFAOYSA-N 213.236 2.213 0 40 BEAB in-vitro CCc1ccsc1C(=O)Nc1cnn(C)c1 48891770 QTHNJYMFSIZXJJ-UHFFFAOYSA-N 235.312 2.296 0 40 BEAB Cc1nn(CCC(=O)NC2CC2)c2ccccc12 57279376 ZTCBLGIKXVWEPZ-UHFFFAOYSA-N 243.310 2.013 0 40 BEAB CC(C)(C(=O)NC[C@@H]1CCCO1)c1ccccc1 58289715 NSBXDOVCZFNWLM-ZDUSSCGKSA-N 247.338 2.259 0 40 BEAB O=C(O)C[C@@H]1CCc2cc(F)ccc2C1 60047131 JJRFXMTURKSVLL-MRVPVSSYSA-N 208.232 2.405 0 40 BEAB in-vitro CCONC(=O)C1(c2ccc(C)c(OC)c2)CC1 60324109 UGDCERJTPHUUAX-UHFFFAOYSA-N 249.310 2.103 0 40 BEAB Cc1ccc(C2(C(=O)O)CCOCC2)cc1C 61681179 HKHYWOWHFRQNCZ-UHFFFAOYSA-N 234.295 2.436 0 40 BEAB Clc1ccc2c(c1)N[C@@H]1CCNC[C@H]21 71484566 WYZHKRBFEWYMLL-NXEZZACHSA-N 208.692 2.211 0 40 BEAB O=CN1CCC[C@@H]1c1ccc[nH]c1=S 72217049 JUWKQTQGDKELCS-SECBINFHSA-N 208.286 2.037 0 40 BEAB CC(C)c1ccc2n[nH]c(C(=O)O)c2c1 78066937 DCSHNMUQECGXQL-UHFFFAOYSA-N 204.229 2.385 0 40 BEAB CNCCN(C)Cc1coc2ccccc12 84486333 OFWAFMVGZVSTMD-UHFFFAOYSA-N 218.300 2.084 0 40 BEAB CN(c1cccc2ccccc12)S(C)(=O)=O 89365406 IMLYBXARMWTEJM-UHFFFAOYSA-N 235.308 2.236 0 40 BEAB CC(C)(C)NC(=O)NC1(CCO)CCCCC1 95418435 LUMVSENBJLKYBV-UHFFFAOYSA-N 242.363 2.169 0 40 BEAB COC(=O)c1ccnc(N2CCCC[C@H]2C)c1 95947632 FBZXMEWNGPEFKT-SNVBAGLBSA-N 234.299 2.247 0 40 BEAB CCSCCN1C(=O)C[C@@](C)(C(C)C)C1=O 97046848 WDZRXZFXGQBROW-LBPRGKRZSA-N 243.372 2.161 0 40 BEAB NC1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 103584142 YMIGMRDJEJTYKY-KBPBESRZSA-N 230.355 2.246 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]1[C@H]1C=C[C@H]2C1 103611439 BCXDKAVVMHYQOS-VWDOSNQTSA-N 203.163 2.126 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]12 103611445 BCXDKAVVMHYQOS-DBRKOABJSA-N 203.163 2.126 0 40 BEAB O[C@@H]1[C@@H]2CCC[C@@H]1C[C@H]1CCCC[C@@]21O 104459551 LGLZRUQGFUJOOH-BNDIWNMDSA-N 210.317 2.089 0 40 BEAB COC(=O)c1cccc(C(=O)C(F)(F)F)c1 107778796 KWSFXFPEWHJDFF-UHFFFAOYSA-N 232.157 2.218 0 40 BEAB Brc1ccnn1-c1ccccn1 137310999 NOWKPHLHODDVIA-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB CC[C@H](C)[C@H](NC(=O)CCC1CCC1)C(=O)O 190818833 SKKBIUOFFJATOC-CABZTGNLSA-N 241.331 2.182 0 40 BEAB Cc1cc(=O)c(OCc2ccn(C(C)C)n2)co1 194691471 CCGAPBLRLSNFEA-UHFFFAOYSA-N 248.282 2.305 0 40 BEAB CC(C)[C@@H](CC(=O)NCC(=O)O)c1ccccc1 195541438 RXLPTPGUOVAABK-GFCCVEGCSA-N 249.310 2.017 0 40 BEAB Nc1cnccc1C(=O)c1cc(F)cc(F)c1 199711734 RZWJCLKEQNNXEV-UHFFFAOYSA-N 234.205 2.173 0 40 BEAB Cc1coc2c1[C@@H](O)C[C@H](C(F)F)C2 217646102 VUCZSEHWJVOHSS-BQBZGAKWSA-N 202.200 2.449 0 40 BEAB O=C(Nc1ccn2nccc2c1)c1ccoc1 225595492 RYMWFSQMHPWINR-UHFFFAOYSA-N 227.223 2.180 0 40 BEAB COc1cccc(N(C)C(=O)c2coc(C)n2)c1 225890738 PXQVMXGUADEDCI-UHFFFAOYSA-N 246.266 2.268 0 40 BEAB CC(C)CNC(=O)c1cn(-c2ccccc2)cn1 227116062 SQALIEAQFPMOPV-UHFFFAOYSA-N 243.310 2.258 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)[C@@H](C)[C@@H]21 252527500 CRSCRJHTAPGPGQ-PZWNZHSQSA-N 226.316 2.389 0 40 BEAB Cc1cc(N2C[C@H]3C[C@H]2CS3)nc(C2CC2)n1 585148620 PMUXEQXOUYQUFT-WDEREUQCSA-N 247.367 2.357 0 40 BEAB COc1nc2ccc(Cl)cc2cc1N 685937671 WZXOKJHHAIOSQM-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB Cc1ncc(-c2ccccc2CCO)o1 848952766 CRJCVGIYLNCDFF-UHFFFAOYSA-N 203.241 2.185 0 40 BEAB O=C(O)c1ccc2c(c1)[C@H]1CCC[S@]1(=O)=N2 1565504705 AAJKUOKBOVUNMU-QLJPJBMISA-N 237.280 2.333 0 40 BEAB Nc1ccc(-c2nnc3n2CCCCC3)cc1 189979 IDZQVFCQHCCFCF-UHFFFAOYSA-N 228.299 2.254 0 40 BEAB in-vitro O=C(Nc1nncs1)C1CCCCC1 401803 DDEWEFIIQZZUHJ-UHFFFAOYSA-N 211.290 2.057 0 40 BEAB Cc1ccc(NC(=O)c2cnsn2)c(C)c1 935407 SYNWCPYKGXCELK-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CCc1cc2c(NCCCO)ncnc2s1 2158403 PQKOTNOMXSWDHR-UHFFFAOYSA-N 237.328 2.048 0 40 BEAB COCCOc1ccc(C(F)(F)F)cc1N 3276766 VGEAZFFURBQABD-UHFFFAOYSA-N 235.205 2.313 0 40 BEAB CC(C)Cn1c(=O)c(C=O)cc2ccccc21 3882761 YNUXUYBQJKXQHM-UHFFFAOYSA-N 229.279 2.470 0 40 BEAB biogenic CCCCCC[C@@H]1C[C@@H](C)N(CCO)C1=O 5244876 OGJHQQJFKJKOEB-VXGBXAGGSA-N 227.348 2.186 0 40 BEAB O=C(Nc1cccc(Cl)c1)n1cncn1 5568719 KFNQQFWVTAEWDG-UHFFFAOYSA-N 222.635 2.012 0 40 BEAB O=C(Nc1ccccc1F)c1ccccn1 8289222 JUQOFSCVWHUZLH-UHFFFAOYSA-N 216.215 2.473 0 40 BEAB O=C(O)C1(NCc2ccco2)CCCCC1 8698562 MKLKQNWMADXLGP-UHFFFAOYSA-N 223.272 2.157 0 40 BEAB CCCCCSc1ncc(C(=O)O)cn1 8730887 KNFUCZOMSHOBGT-UHFFFAOYSA-N 226.301 2.457 0 40 BEAB Cc1ccc(-c2ncc(C(=O)O)cn2)cc1 8731010 KPVWREKIPSYZRR-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CC(=O)Nc1nnc(-c2cc3ccccc3o2)o1 9828011 IBEYUZLZZGQMLD-UHFFFAOYSA-N 243.222 2.441 0 40 BEAB CC(C)c1cc([C@H]2CCCN2CC(=O)O)no1 12397347 WSMZWKPHVHUSPF-SNVBAGLBSA-N 238.287 2.020 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1OC 12971311 CDEZZXYETAIBRE-SCZZXKLOSA-N 235.283 2.298 0 40 BEAB CNC(=S)N1CCC[C@H]2CCCC[C@@H]21 16189319 LHMJIHHBJYOSAL-ZJUUUORDSA-N 212.362 2.145 0 40 BEAB Oc1nc(=S)c(Sc2ccccc2)n[nH]1 16927013 RYPQVHLIYDCZEC-UHFFFAOYSA-N 237.309 2.391 0 40 BEAB CCOc1cc(CO)cc(Cl)c1OC 16970178 PMWWLNNPCXKKHQ-UHFFFAOYSA-N 216.664 2.240 0 40 BEAB Cc1ccc(-n2cccc2[C@H](CN)N(C)C)cc1 19795647 GVYFUQYXVRJSPF-HNNXBMFYSA-N 243.354 2.347 0 40 BEAB Cc1ccsc1C(=O)NCc1ccncc1 20068998 LHIZZLAYIDTPKO-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB O=c1ccccn1Cc1cccc2cccnc12 22134465 BLKOKLWHKVMQOG-UHFFFAOYSA-N 236.274 2.445 0 40 BEAB Cc1ccc(C(=O)Nc2ccncc2)cn1 25631895 FDKTWCXEYAIDLN-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CN(C)CCNc1nc2c(F)cccc2s1 26424018 NJHWLHVKPRMIJF-UHFFFAOYSA-N 239.319 2.409 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 29402414 PWMHCCVSNRLGBC-NSHDSACASA-N 243.310 2.401 0 40 BEAB CCCC(=O)c1ccc(C(=O)OCC)o1 31893718 LQCFYHCTIGXFBV-UHFFFAOYSA-N 210.229 2.439 0 40 BEAB Cc1cnc(NCc2cccnc2)s1 34560321 BFTXSZUXBUXATH-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB Cn1cc(C(=O)O)c(-c2ccccc2Cl)n1 34961723 MAQQXURIMHJZOA-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB COc1ccc(-c2cccc(CO)n2)c(OC)c1 35630148 VOCWOVABAXBFJO-UHFFFAOYSA-N 245.278 2.258 0 40 BEAB CCCCC(=O)N1C[C@@H](C)OCC1(C)C 36075947 JHSSYUJNQRTNCJ-SNVBAGLBSA-N 213.321 2.203 0 40 BEAB Cc1ccc(C)c([C@@](C)(C(=O)O)N(C)C)c1 37357721 XDJUELIVGQZGMP-ZDUSSCGKSA-N 221.300 2.165 0 40 BEAB Fc1cc(F)cc(COCC2CCNCC2)c1 42782998 ZAOOEZORHKEIAJ-UHFFFAOYSA-N 241.281 2.481 0 40 BEAB CSc1ccccc1C(=O)CCC(=O)O 43214200 XQAZQKFYUQFHFD-UHFFFAOYSA-N 224.281 2.456 0 40 BEAB CC[C@H]1CCCCN1c1cc(C)nc2ncnn12 48290990 RLVLAZJKBUWOAD-NSHDSACASA-N 245.330 2.202 0 40 BEAB Nc1nccc(-c2ccccc2Cl)n1 49474068 QLBZGYLDBDMHDL-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB in-vitro CCNC(=O)c1ccccc1C(F)(F)F 58872503 GTHIVDIEQVLQIQ-UHFFFAOYSA-N 217.190 2.455 0 40 BEAB CCN1Cc2cc(Cl)ccc2O[C@@H](C)C1=O 64542473 IKFCYGMDWHDCJO-QMMMGPOBSA-N 239.702 2.469 0 40 BEAB O=C(O)C1CCN(Cc2ccc(F)s2)CC1 71792072 DVHZJJKPKBPDKK-UHFFFAOYSA-N 243.303 2.184 0 40 BEAB COC(=O)c1c[nH]cc1-c1cccc(O)c1 72207379 HVZCMJHRFSFNNZ-UHFFFAOYSA-N 217.224 2.174 0 40 BEAB C[C@H]1CCC[C@@H](C(=O)OCc2cnn(C)c2)C1 76871832 HSFNQUKCFDYQPY-CMPLNLGQSA-N 236.315 2.290 0 40 BEAB COc1nc(Cl)ncc1C(F)(F)F 79066981 XXUSEPOFBSZNLR-UHFFFAOYSA-N 212.558 2.157 0 40 BEAB CCCCCNC(=O)N(C)[C@@H](CO)C(C)(C)C 95430557 UOMWTZOQKUTCHW-NSHDSACASA-N 244.379 2.225 0 40 BEAB COc1ccccc1C(=O)Nc1nccc(C)n1 95469888 BXXJHEBTTPZVIH-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB C[C@@H](O)c1c[nH]c2ccc(Cl)cc2c1=O 95534981 ACHKCCUBFQCPFM-ZCFIWIBFSA-N 223.659 2.235 0 40 BEAB CC(C)OCCN[C@@H](C)c1cncc(F)c1 97084106 QCSJEYCTWUKSBN-JTQLQIEISA-N 226.295 2.296 0 40 BEAB CCOC(=O)C(F)(F)Sc1ccccn1 217573003 RCVLVFMUBPHSRF-UHFFFAOYSA-N 233.239 2.330 0 40 BEAB COc1ccccc1C[C@H](OC(C)C)C(=O)O 225098265 YCJYDNFREPNLPP-LBPRGKRZSA-N 238.283 2.116 0 40 BEAB Cc1cc(S(=O)(=O)O)cc(C)c1Cl 226290907 CDPIHEIHYURHOE-UHFFFAOYSA-N 220.677 2.204 0 40 BEAB CC1CC(Cn2nc(N)c3cccnc32)C1 252497708 QNRGZXVIDACDGD-UHFFFAOYSA-N 216.288 2.060 0 40 BEAB C[C@@H](C(=O)O)n1ncc(Cl)c1C(F)F 408717052 VHAXDQIKDWCHQX-VKHMYHEASA-N 224.594 2.120 0 40 BEAB C1=CCC(COc2ccc3nccn3n2)C1 585652357 YAALVYSUQNIQEI-UHFFFAOYSA-N 215.256 2.074 0 40 BEAB Cc1cncc(O[C@@H]2CCCC[C@@H]2N(C)C)n1 585652426 ZPZUKVRAWYZNCA-NWDGAFQWSA-N 235.331 2.037 0 40 BEAB Cc1nccc(OC2CCSCC2)n1 585652770 VXLXEPSZGHOOCS-UHFFFAOYSA-N 210.302 2.059 0 40 BEAB O=C(O)[C@@H](Sc1ncccn1)c1ccccc1 128053 YOENNECCQWXNRA-JTQLQIEISA-N 246.291 2.395 0 40 BEAB COc1ccc(NC(=O)c2cccs2)cn1 128532 KYPSHZCQLRONKR-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB Nc1cccc(C2=N[C@H]3C=CC=C[C@@H]3N=C2)c1 169284 NXWUUVBGDHHZDU-STQMWFEESA-N 223.279 2.006 0 40 BEAB CC(=O)Oc1ccc2c(C)cc(=O)oc2c1C 449411 XTXQJFCCLBPLPU-UHFFFAOYSA-N 232.235 2.335 0 40 BEAB O=C(O)c1ccc([C@H]2CCCC[C@H]2O)cc1 1748061 MNOUEENIDCJOOZ-VXGBXAGGSA-N 220.268 2.403 0 40 BEAB CCCSc1cc(C(N)=O)cc(Cl)n1 2585077 DBVJPTLVZZVTII-UHFFFAOYSA-N 230.720 2.336 0 40 BEAB biogenic Cc1ccc(C(=O)n2nnc3ccccc32)o1 2737640 VAPSWOUHVVVZAG-UHFFFAOYSA-N 227.223 2.021 0 40 BEAB CC(=O)OC[C@@H]1CCC[C@@H](C)[C@H]1COC(C)=O 4353033 NZYGHSMLNBLDBT-JIMOISOXSA-N 242.315 2.165 0 40 BEAB O[C@@H](CNc1ccc(Cl)nn1)c1ccccc1 6582095 SSKXMZLGFZBBOR-JTQLQIEISA-N 249.701 2.276 0 40 BEAB Cc1cnn(-c2ccc(Cl)cc2N)c1 12397687 IKSRYBHOJDVLQI-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB CC(=O)c1cccc(OCCCC(=O)O)c1 19391518 XGZBCEWPYFSMNG-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB in-vitro CCn1ncc2cc(Br)cnc21 19433880 FYPGAFJOOQMJBF-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB in-vitro COC(=O)C[C@@H](N)c1ccc2ccccc2c1 20577590 JFWNNOBLJXSMPG-CYBMUJFWSA-N 229.279 2.403 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@H]2[C@@H](C)N)c1 20594416 DPZMVJPIWKFHMT-DVVUODLYSA-N 221.300 2.155 0 40 BEAB CCCc1c(C)nn(-c2ccccn2)c1N 26512211 DHOQVVQTLFXXBZ-UHFFFAOYSA-N 216.288 2.110 0 40 BEAB c1ccc(CSc2nc(C3CC3)n[nH]2)nc1 32908018 YDKZNGURXMXBIL-UHFFFAOYSA-N 232.312 2.369 0 40 BEAB O=C(O)CCc1cc2ccccc2cn1 35569642 HMQKCTKAHSKQKD-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB C[C@@H](N)c1nc2cc(Br)ccc2[nH]1 37441128 HLIXKZWWISMBDS-RXMQYKEDSA-N 240.104 2.345 0 40 BEAB CC(C)N(CCCO)C(=O)Nc1ccccc1 38057392 PXLGCDDKKKNVEB-UHFFFAOYSA-N 236.315 2.311 0 40 BEAB Cc1c(O)c(=O)ccn1CCc1ccccc1 38433236 CFTXTDMJKJOEMS-UHFFFAOYSA-N 229.279 2.105 0 40 BEAB CCN(CC)[C@@H](CN)c1ccc(C)cc1 38860368 LXTNKNAROJVMBB-ZDUSSCGKSA-N 206.333 2.337 0 40 BEAB COc1ccc([C@@H](O)c2ccoc2)cc1OC 40243620 BHLHXTUKMNXVQK-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB Cc1nc(Cc2ccccc2)ncc1C(=O)O 40447946 QWQWCFIRNKMLGQ-UHFFFAOYSA-N 228.251 2.074 0 40 BEAB CNC(=O)[C@H](C)Sc1ccc(F)cc1 40464745 QYLXOLUWTMUIHV-ZETCQYMHSA-N 213.277 2.052 0 40 BEAB CCN(Cc1ccccc1)C[C@H]1CCNC1 42783439 XGIIETXEBPAGFH-AWEZNQCLSA-N 218.344 2.118 0 40 BEAB CS[C@@H](C)C(=O)N(C)Cc1c(C)noc1C 43038025 DGBWLYPQTZWLTD-VIFPVBQESA-N 242.344 2.001 0 40 BEAB Fc1cncc2[nH]cc(Br)c12 44713275 SXBUMHAQGOZTBK-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB COc1ccccc1Nc1cc(N)nc(C)n1 49467327 JAFVKKPSDFANEK-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB CCNCc1cc(-c2cncnc2)ccc1F 52886632 YIAIAIOREJCOPB-UHFFFAOYSA-N 231.274 2.392 0 40 BEAB CC[C@H](C)C(=O)NCc1ccccc1F 55292567 IWQITZCUTMOZSZ-VIFPVBQESA-N 209.264 2.488 0 40 BEAB COC(=O)c1sc2cccc(F)c2c1CN 58037936 REGOKAMUOYQAOG-UHFFFAOYSA-N 239.271 2.286 0 40 BEAB in-vitro COCCN1CCN(c2cccc(C)c2C)CC1 58452206 WEJUOTFAMMQZLX-UHFFFAOYSA-N 248.370 2.072 0 40 BEAB CCNC(=S)Nc1nc(C)c(C)s1 62716745 BUNQNYADQDYGFT-UHFFFAOYSA-N 215.347 2.066 0 40 BEAB O=C(O)c1cnc2c(F)ccc(F)c2c1 62864103 MYYFNVVSDXUHCL-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB in-vitro Cn1cccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 67502783 ZWVWZXPQMQQUBT-OLZOCXBDSA-N 240.306 2.311 0 40 BEAB COc1cc(CO)c(Br)cc1C 72190667 ROMVGEWQOADZHE-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB Fc1cccc(Cl)c1CN[C@H]1CCCNC1 72203646 QSANLEXIMHKVDT-VIFPVBQESA-N 242.725 2.321 0 40 BEAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C 72750054 ROGQFNHUABXLTC-ZETCQYMHSA-N 245.681 2.335 0 40 BEAB CCCCCNC(=O)CC1CCN(C)CC1 74920973 IKZBJBCWDFWFFM-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB COc1cc(C2CCN(C)CC2)ccc1N 75905984 YAMGYZKPMODVIX-UHFFFAOYSA-N 220.316 2.087 0 40 BEAB CC(C)c1cc(CNC(=O)C2CCC2)on1 78725769 ZIRICONAOLAPBW-UHFFFAOYSA-N 222.288 2.214 0 40 BEAB COC(=O)c1cc2c(F)c(F)ccc2[nH]1 82522874 YACLOQHUFCEVJA-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB in-vitro C/C=C/CCNC(=O)N(CC(C)(C)O)C(C)C 95434922 YNBCWEFSAIUBBH-VOTSOKGWSA-N 242.363 2.144 0 40 BEAB N[C@H](c1ccc(Cl)cc1)c1nc(C2CC2)n[nH]1 95534017 VUCUGCVOYAGKOS-SNVBAGLBSA-N 248.717 2.384 0 40 BEAB O=Cc1occc1-c1cccc(C(=O)O)c1 95935252 QSIYUGYZFYDQHF-UHFFFAOYSA-N 216.192 2.457 0 40 BEAB in-vitro C[C@@H]1C[C@H]2CN(C(=O)C3=CCCCC3)C[C@H]2O1 96045751 CURZYILSLFLMIF-KGYLQXTDSA-N 235.327 2.123 0 40 BEAB C1CCC(CN2CC[C@@]23CCCNC3)CC1 96050968 JCGRMTKNJNLRDB-CQSZACIVSA-N 222.376 2.395 0 40 BEAB CCOC(CN1CCS[C@H](C)[C@@H]1C)OCC 97161642 PQDIKCXDQFUDGQ-WDEREUQCSA-N 247.404 2.211 0 40 BEAB OC12C[C@@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2 100067794 WHGRUDSZQYFNAY-IWMBGFJWSA-N 221.344 2.166 0 40 BEAB CCOC(=O)CC1=Nc2ccccc2NC(=O)C1 100643303 RVBWREBACVKBSV-UHFFFAOYSA-N 246.266 2.055 0 40 BEAB CSCCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101192101 FJPHIDDLQQDJHH-DCAQKATOSA-N 225.357 2.068 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1C(=O)Cc1ccccc1 145029001 CHSDQGAJAHOHNM-RYUDHWBXSA-N 232.279 2.299 0 40 BEAB COCCCN(C)C(=O)N1CCCC[C@@H](C)C1 225539041 LXMKWMOUNLDYSJ-GFCCVEGCSA-N 242.363 2.197 0 40 BEAB Nc1cc(-c2snnc2-c2ccccc2)n[nH]1 225971674 PRCXJKFMWUFWOQ-UHFFFAOYSA-N 243.295 2.177 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc2c(c1)c(O)nn2C 227164877 INJLRXDVIMLDKL-QMMMGPOBSA-N 247.298 2.264 0 40 BEAB Cc1c[nH]c([C@@H]2CCN(c3ccccn3)C2)n1 257276712 NUVRAZTWFRGQGM-LLVKDONJSA-N 228.299 2.107 0 40 BEAB CCOC(=O)C(=O)c1cc(C)ccc1Cl 258378043 IFLGPJCSUYOPMR-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB CN(CCC(=O)O)[C@H]1CCc2ccc(F)cc21 262634621 HTQUGVVLSAJMDS-LBPRGKRZSA-N 237.274 2.220 0 40 BEAB CC[C@@H](C)C(=O)N[C@@H]1CSC1(C)C 306226389 FYXUQIGDIQFUQN-HTQZYQBOSA-N 201.335 2.043 0 40 BEAB CCOC(=O)c1ccccc1C(=O)C(F)F 309280404 GLYJVQBTYOWTDH-UHFFFAOYSA-N 228.194 2.311 0 40 BEAB CC(C)CNC(=O)N1CCC(F)(F)CC1 792764944 ZCFJEUUDIUGTIH-UHFFFAOYSA-N 220.263 2.083 0 40 BEAB OCCc1csc(-c2cccc3c2CCO3)n1 904901299 SUIHSLFOBXHQQZ-UHFFFAOYSA-N 247.319 2.280 0 40 BEAB Cc1csc2c(O)ncc(C(=O)O)c12 953109802 XTNKDJLSAAJNPE-UHFFFAOYSA-N 209.226 2.009 0 40 BEAB CCCn1nnnc1NCc1ccc(C)s1 6139064 AGTQUOMDQAVWRG-UHFFFAOYSA-N 237.332 2.065 0 40 BEAB O=C(O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1 11628836 MAJNVSRIBVPQJP-NSHDSACASA-N 248.278 2.426 0 40 BEAB C[C@@H]1OC(c2ccc3c(c2)OCO3)O[C@@H]1C 12403029 DBRCQKKPPIQWBT-ITGSWZIZSA-N 222.240 2.238 0 40 BEAB O=C(Cn1cccn1)Nc1ccccc1Cl 12908236 KICNHNTWRDABLU-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Cn1ncc2c(Oc3ccccc3F)ncnc21 14204188 VDYVRVJBSDTSGP-UHFFFAOYSA-N 244.229 2.295 0 40 BEAB c1ccc2c(c1)C[C@H](N1CCCCC1)CO2 15064718 MRSVLLCCMXNJPJ-ZDUSSCGKSA-N 217.312 2.476 0 40 BEAB Cc1ccc(CSc2nnc(C)c(O)n2)cc1 17723703 AOBAWNDUVJYVSV-UHFFFAOYSA-N 247.323 2.486 0 40 BEAB Oc1cccc(CNc2cccnc2)c1 19884489 OODCZBUUWQXVSJ-UHFFFAOYSA-N 200.241 2.399 0 40 BEAB N[C@H]1CCCN(Cc2ccccc2Cl)C1 20495011 CKKVFLXFSLUBDB-NSHDSACASA-N 224.735 2.263 0 40 BEAB CC(C)CC(=O)Nc1nnc(C2CC2)s1 23652631 YIURWFRFGBJJTQ-UHFFFAOYSA-N 225.317 2.400 0 40 BEAB CCOC(=O)c1[nH]c(-c2ccccc2)cc1N 29753720 DJUKQRWPMVBJPJ-UHFFFAOYSA-N 230.267 2.441 0 40 BEAB CCCCNC(=O)[C@H](C)Cn1cc(Cl)cn1 32611180 DONFFELTPWZZLT-SECBINFHSA-N 243.738 2.089 0 40 BEAB Cc1nnc(CNc2cc(F)ccc2F)n1C 35695870 MSEDTKJHAOOWTB-UHFFFAOYSA-N 238.241 2.014 0 40 BEAB N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 36988402 WMMPTAKSLQNVBD-GHMZBOCLSA-N 244.260 2.008 0 40 BEAB CCN1CC[C@H](CNCc2ccccc2OC)C1 37643767 ILJDMCMAPJBVRB-CYBMUJFWSA-N 248.370 2.127 0 40 BEAB c1ccc2sc(OC3CCNCC3)nc2c1 40434208 NHNWZAYGGKJMNS-UHFFFAOYSA-N 234.324 2.427 0 40 BEAB CC(C)C[C@H](C)NCCN1CCCCC1 49574534 JPGSFOZLFQPJDB-ZDUSSCGKSA-N 212.381 2.497 0 40 BEAB CC/C=C(/C)C(=O)NC(C)(C)CCC(=O)O 50195114 LBESEUVOVQIMST-TWGQIWQCSA-N 227.304 2.102 0 40 BEAB CNc1ccc(C(=O)NC(C)(C)C)cc1 50724813 WVIKEVKIWDCQIW-UHFFFAOYSA-N 206.289 2.257 0 40 BEAB COCCN(C)Cc1ccccc1N1CCCC1 53420046 IXQVMLDNPIHKCB-UHFFFAOYSA-N 248.370 2.365 0 40 BEAB c1csc(CNCc2ccncc2)c1 57360161 FQIVJKQSUFZNMO-UHFFFAOYSA-N 204.298 2.433 0 40 BEAB Cc1cc(CNc2cc(C(N)=O)ccc2C)no1 60211092 FKALDTSWBUBTPK-UHFFFAOYSA-N 245.282 2.002 0 40 BEAB CC(=O)N[C@@H](c1ccccc1)c1ccncc1 60642943 OMXIOAJKTUUBBI-AWEZNQCLSA-N 226.279 2.307 0 40 BEAB Cc1cc(NC(=O)[C@H]2CCCO2)nc(C(C)C)n1 63441092 AWDGMRBYQMCOIV-SNVBAGLBSA-N 249.314 2.026 0 40 BEAB Nc1cc(C(=O)O)cc(Cl)c1N1CCCC1 70462639 GAVILJIUUSBIPJ-UHFFFAOYSA-N 240.690 2.221 0 40 BEAB Cc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)o1 72324415 UYQGLBTWCVURPF-AAEUAGOBSA-N 234.343 2.257 0 40 BEAB C[C@H]1CC(C)(C)n2c(=O)oc(=O)c3cccc1c32 72416615 UCQHSNLKMBMQKO-QMMMGPOBSA-N 245.278 2.197 0 40 BEAB CC(C)=CC(=O)NC[C@@](C)(O)c1cccs1 80879206 CZFMOISROYDUEV-GFCCVEGCSA-N 239.340 2.038 0 40 BEAB O=Cc1cccc(OCCC2OCCCO2)c1 89064397 ZSAGWFXMQOPPNL-UHFFFAOYSA-N 236.267 2.031 0 40 BEAB Cc1nn(-c2cc(Cl)cc(Cl)c2)nc1N 89261823 DDKBUEQZDRJWDG-UHFFFAOYSA-N 243.097 2.465 0 40 BEAB Cc1cc(F)ccc1[C@H]1CC(=O)CCN1 90659549 LSNSTGMHGQWUFV-GFCCVEGCSA-N 207.248 2.128 0 40 BEAB CC(C)c1nc([C@@H]2CCCCCN2)no1 95348375 KLDPGDMWAJSWFQ-VIFPVBQESA-N 209.293 2.398 0 40 BEAB in-vitro CC(C)(c1cc(=O)cc[nH]1)C(F)(F)F 95627639 CUCGKHLLFAWHAD-UHFFFAOYSA-N 205.179 2.215 0 40 BEAB COC(=O)c1ccc(Br)cc1C=O 95884058 XXGNIICNQUKYLR-UHFFFAOYSA-N 243.056 2.048 0 40 BEAB in-vitro Cc1ccc([C@@H](C)NCc2nnnn2C(C)C)o1 96502743 DYGSMQNASQYATI-SNVBAGLBSA-N 249.318 2.006 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)O 100096853 UJNOLBSYLSYIBM-WRWGMCAJSA-N 228.332 2.371 0 40 BEAB CC/C=C(\C)C(=O)NCC1(N(C)C)CCCC1 101395815 YNQLRGZRKXUBLB-XYOKQWHBSA-N 238.375 2.333 0 40 BEAB CN1C[C@@H]2Cc3ccc(O)cc3[C@](C)(C2)C1 104199564 CGKYCWJVDWFBSM-QMTHXVAHSA-N 217.312 2.158 0 40 BEAB O=C1NCCCc2c(Br)cccc21 107253889 PQALDHKLTCQGDF-UHFFFAOYSA-N 240.100 2.125 0 40 BEAB O=C(O)c1cc(C(F)(F)F)c2[nH]ncc2c1 167346782 RDTKFZONKRNVBL-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB CCCCNc1ccc(C(=O)OC)cn1 169748452 GCOWBQFPDQVYSS-UHFFFAOYSA-N 208.261 2.080 0 40 BEAB Cc1cccc([C@@H](C)NCC(C)(C)C(N)=O)c1 183637733 NXNOMFHTWHWXDB-LLVKDONJSA-N 234.343 2.157 0 40 BEAB COC(=O)[C@H]1Cc2[nH]c3ccccc3c2C1 217912037 RBOVNFIIDBCXMA-MRVPVSSYSA-N 215.252 2.056 0 40 BEAB CCCOC(=O)c1cc(N)ccc1NCC 225451352 AOGQFKBVHJKTKM-UHFFFAOYSA-N 222.288 2.267 0 40 BEAB CN(C)C(=O)c1ccc2nc(Cl)oc2c1 225977598 RVIXEHUYYOPASR-UHFFFAOYSA-N 224.647 2.183 0 40 BEAB CC(C)(C)OC(=O)N1CCCC12CC(CN)C2 261508711 WDACZZFUFAIDOL-UHFFFAOYSA-N 240.347 2.125 0 40 BEAB CCn1[nH]c(=N)cc1CN(C)C1CCCCC1 408717247 XKCISUPUONGMHW-UHFFFAOYSA-N 236.363 2.080 0 40 BEAB CN(C)[C@H]1CCC[C@H]1Oc1nccs1 585650818 FXGMMGSTAFGBDG-DTWKUNHWSA-N 212.318 2.005 0 40 BEAB CCn1ncnc1-c1cccc(OC)c1F 904890673 ZVGJSJPYVASNAH-UHFFFAOYSA-N 221.235 2.113 0 40 BEAB COc1ccc(/C(C)=C\C(=O)O)c(OC)c1 1303 VNLOISSPTMDCIF-VURMDHGXSA-N 222.240 2.192 0 40 BEAB in-man Br[C@@]12CCCC[C@@H]1CNCC2 158431 FPUFEUQHVSBEPE-RKDXNWHRSA-N 218.138 2.304 0 40 BEAB CCCCCC[C@@H]1OC[C@H](COC)O1 1602683 NTOFFMMZFVBZAY-WDEREUQCSA-N 202.294 2.345 0 40 BEAB [O-][n+]1cn(Cc2ccccc2)c2ccccc21 3158756 PDQBWWXQYMHEQU-UHFFFAOYSA-N 224.263 2.323 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@](C)(O)[C@H]1C 5533013 JLIHNYSKRZSBJF-TVQRCGJNSA-N 231.299 2.048 0 40 BEAB Cc1ccc(-n2cnnc2S)c(C)c1 6793109 OFSNDWPHJFKJEV-UHFFFAOYSA-N 205.286 2.173 0 40 BEAB in-vitro CCOc1ccccc1CSc1ncn[nH]1 7603904 KKLHGDKMMFRQCA-UHFFFAOYSA-N 235.312 2.496 0 40 BEAB Cc1ccc(C)c(NC(=O)C2=COCCO2)c1 7608218 AYLFETFTBVAHTQ-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB CC[C@H](Cc1ccc(OC)c(OC)c1)C(=O)O 11976897 HZMMSRSCPZPKDD-SNVBAGLBSA-N 238.283 2.357 0 40 BEAB CN(CC(=O)NC1CCCC1)c1ccccc1 12536910 NRMSHXOFXMSYOK-UHFFFAOYSA-N 232.327 2.182 0 40 BEAB COc1cc(CO)ccc1OCC(C)C 12940387 HJAPVJOMUCQZSW-UHFFFAOYSA-N 210.273 2.222 0 40 BEAB OCCSc1ccc(C(F)(F)F)cn1 15906890 RHKFAPVDPSTHNV-UHFFFAOYSA-N 223.219 2.185 0 40 BEAB COc1ccc(C(=O)NC2CCCCC2)cn1 16202633 JJJMFVGFOITCSZ-UHFFFAOYSA-N 234.299 2.153 0 40 BEAB O=c1[nH]c(-c2ccccc2)nc2c1CCCC2 16855231 UICMJIZPQLNBRS-UHFFFAOYSA-N 226.279 2.316 0 40 BEAB C[C@@H](C1CC1)n1ncc2cc(C(=O)O)cnc21 21968284 VWZIPYZDJWDKQC-ZETCQYMHSA-N 231.255 2.101 0 40 BEAB in-vitro NC[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 26895705 PDXHEQJXLTXTCU-ZCFIWIBFSA-N 234.082 2.120 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)n1C 27407031 ODGSEGCNSHZZNA-NSHDSACASA-N 243.310 2.220 0 40 BEAB O=C(Nc1ccon1)[C@@H]1C[C@@H]1c1ccccc1 28226089 OKPSZZHRDPVFOW-GHMZBOCLSA-N 228.251 2.417 0 40 BEAB CO[C@@H](C)c1ccc(-c2cnc(N)cn2)cc1 32576589 CMYLLCQOUOFQDC-VIFPVBQESA-N 229.283 2.433 0 40 BEAB O=C(c1ccc2c(c1)OCCO2)c1ccco1 35368499 NNDSXRPFIYRSDJ-UHFFFAOYSA-N 230.219 2.282 0 40 BEAB Cc1ccc(Cn2cc(C)c(N)n2)cc1 35655704 NLHKTSMRUSPZMA-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB C[C@H](C(=O)c1ccc(Cl)cc1)N(C)C 37333561 XMBDJBGDUKIOFM-MRVPVSSYSA-N 211.692 2.473 0 40 BEAB CSc1ccc([C@H](C)NCCN)cc1 37712610 XSKGXAONORKXAR-VIFPVBQESA-N 210.346 2.018 0 40 BEAB C[C@@H](OCC(F)(F)F)C(=O)NC1CCCC1 40092956 YZJWRWBGXXKXRJ-SSDOTTSWSA-N 239.237 2.013 0 40 BEAB CC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 41172460 BAOUZUHTPNNJFB-GFCCVEGCSA-N 239.702 2.260 0 40 BEAB CCC[C@@H]1CCC(=O)[C@@H](C(=O)OCC)C1 43651399 XIPCNPGUFDSAMZ-ZJUUUORDSA-N 212.289 2.335 0 40 BEAB CC(=O)OCc1cnc(C)c(C)c1Cl 44135963 FIVAPJHOKMWRGZ-UHFFFAOYSA-N 213.664 2.415 0 40 BEAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 48331674 VZCHIDUJWUEHCE-CMPLNLGQSA-N 241.294 2.467 0 40 BEAB CCn1nc(C)c2ncnc(NCC(C)C)c21 57280119 AGZKAJLHXQIJHL-UHFFFAOYSA-N 233.319 2.223 0 40 BEAB COc1ccc([C@H]2[C@@H](CO)CCCN2C)cc1 68592559 FGKFSGZEKVATDB-OCCSQVGLSA-N 235.327 2.070 0 40 BEAB CCN1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 72217974 VXJSSAGJNZMHDN-LBPRGKRZSA-N 220.316 2.230 0 40 BEAB COc1cc(C)c([C@@H]2CCCN2C(C)=O)cn1 72218009 VPZZOUSUCCXUKV-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB CC(C)(C)[C@H](NC(=O)c1cc[nH]n1)C(F)(F)F 73134963 UHTQQSTUPBZDOQ-QMMMGPOBSA-N 249.236 2.117 0 40 BEAB CN(C)c1ccc(-n2nnc3ccccc32)cc1 73740182 RYQUXGQEMWWZEV-UHFFFAOYSA-N 238.294 2.487 0 40 BEAB CC[C@H](C)C(=O)NCCc1sc(C)nc1C 78571256 QFVLBEJMKVDEGF-QMMMGPOBSA-N 240.372 2.465 0 40 BEAB O=C(N[C@H]1CCSC1)c1cccc(F)c1 81053140 XUKVWHVDLBOHKR-JTQLQIEISA-N 225.288 2.061 0 40 BEAB COc1ccccc1CC1CC(C(=O)O)C1 84012431 WTGHRGFGYAMGJB-UHFFFAOYSA-N 220.268 2.349 0 40 BEAB CC(=O)NC(C)(C)c1noc(C=C2CCC2)n1 88337313 PMRMVYARSWACRL-UHFFFAOYSA-N 235.287 2.008 0 40 BEAB c1cnc(-c2nc(C3CCOCC3)cs2)cn1 92196892 KNMLIKGJSZZZAG-UHFFFAOYSA-N 247.323 2.494 0 40 BEAB Cc1nn(CC(F)(F)C(F)(F)F)c(C)c1N 95094026 HXDDKCIOQRPNOE-UHFFFAOYSA-N 243.179 2.280 0 40 BEAB CC(C)Cc1nc(Br)no1 95098289 MDWDLBXJAJHMLH-UHFFFAOYSA-N 205.055 2.031 0 40 BEAB CCC(C)(C)c1nc(C(C)(C)NC(C)=O)no1 96449323 GYFMPZSXQIXNGY-UHFFFAOYSA-N 239.319 2.128 0 40 BEAB CCCNC(=O)CNc1c(C)cccc1F 96493877 KLHJAPNUSQFAAD-UHFFFAOYSA-N 224.279 2.072 0 40 BEAB Nc1cc(C(F)(F)F)ccc1/C=C/C(=O)O 145672449 LDPSVHTVJJADCZ-DUXPYHPUSA-N 231.173 2.385 0 40 BEAB COC(=O)c1cc2ccccc2nc1OC 166174676 VCNDVHKPEJTUCF-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB CCN(CC)CCN1CCS[C@H](C)CC1 192186221 YEEFFLJLSRDXEK-GFCCVEGCSA-N 230.421 2.156 0 40 BEAB C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCC(=O)N(C)C1 192391431 PFZHNBLYLGWXGI-IJLUTSLNSA-N 238.375 2.022 0 40 BEAB C[C@@]1(c2cncc(Br)c2)CO1 217527660 JGBVRRRATNRAOR-QMMMGPOBSA-N 214.062 2.090 0 40 BEAB CC[C@@H](C)OCc1ccn(CCF)n1 408715500 TYAXQZXAVIGDHJ-SECBINFHSA-N 200.257 2.168 0 40 BEAB Cc1nc2cc(NC(=O)N(C)C)ccc2o1 409130325 HJTGHPDWAQWWJZ-UHFFFAOYSA-N 219.244 2.230 0 40 BEAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1 585319616 JDFVZYCGPAGVQK-FOSCPWQOSA-N 235.283 2.062 0 40 BEAB O=C(OCc1ccccc1)C1(O)CCCCC1 1600655 SXRFYLSUUCGDAH-UHFFFAOYSA-N 234.295 2.425 0 40 BEAB O=C(O)CCCc1ccc2cccnc2n1 2527500 HFBITYXPNVQAGU-UHFFFAOYSA-N 216.240 2.037 0 40 BEAB CNc1ccc2c3c(cccc13)C(=O)N(C)C2=O 4714239 NIHBGKWUSHKFSP-UHFFFAOYSA-N 240.262 2.107 0 40 BEAB CO[S@](=O)c1cc(Cl)cc(Cl)c1O 5812590 WRSNHYQWUHHFLB-CYBMUJFWSA-N 241.095 2.368 0 40 BEAB Cc1cc(C)c2c(-n3cccc3)nn(C)c2n1 6189389 MNAQRWTVZJATSM-UHFFFAOYSA-N 226.283 2.376 0 40 BEAB CSc1nc(=O)c2c3c(sc2[nH]1)CCC3 8684339 YTIANAHQLYDHIU-UHFFFAOYSA-N 238.337 2.195 0 40 BEAB C[C@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)N1 8701191 XMCZSVZCOOYCDS-DTORHVGOSA-N 239.750 2.109 0 40 BEAB CCCNC(=O)c1cc2cc(F)ccc2[nH]1 12977710 NVDCMFOTOCZGNS-UHFFFAOYSA-N 220.247 2.447 0 40 BEAB CO[C@H]1CCCCN1C(=O)OC(C)(C)C 15446226 WZDUMISBAHEPLN-VIFPVBQESA-N 215.293 2.380 0 40 BEAB in-vitro CC(C)=CCC/C(C)=C\Cn1c(=O)cc[nH]c1=O 17025228 NQEQFTFAIHBETC-WQLSENKSSA-N 248.326 2.229 0 40 BEAB CCc1ccc(-c2cc(CN)n[nH]2)cc1 20270436 YEECLXIFZPZHOV-UHFFFAOYSA-N 201.273 2.098 0 40 BEAB COC(=O)[C@H](CN)Cc1ccc2ccccc2c1 20579512 XOPOIMLONUARDX-AWEZNQCLSA-N 243.306 2.130 0 40 BEAB COc1cc(CNC(=O)CC(C)(C)C)ccn1 24987054 KWCJDXYGEQAMHB-UHFFFAOYSA-N 236.315 2.143 0 40 BEAB Cc1cccc(CNC(=O)c2cnc(C)cn2)c1 26020109 PSLYANNRMFYYGZ-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB Cc1nc2ccc(C(=O)NC3CC3)cc2nc1C 28539734 VBBWFMNZVJBLDI-UHFFFAOYSA-N 241.294 2.139 0 40 BEAB O=C(NCC1CC1)c1cc2c(s1)CCC2 29792237 QJGJDNVUULOQFM-UHFFFAOYSA-N 221.325 2.377 0 40 BEAB CC(C)(C)OC(=O)N1C2CCC1(C(=O)O)CC2 32628925 BJFKJHVXBIQTLW-UHFFFAOYSA-N 241.287 2.003 0 40 BEAB O=C(N[C@H]1CCCc2occc21)c1ccccn1 32771118 SFNKKBGDOVZMRI-NSHDSACASA-N 242.278 2.482 0 40 BEAB CC(C)c1cccc(NC(=O)[C@H]2CCC(=O)N2)c1 32986236 RINMTWTVDLRXDY-GFCCVEGCSA-N 246.310 2.027 0 40 BEAB O=C1C[C@@H](c2ccccc2)N=C2SCCN12 33884721 UXZDBCUMONUNIE-JTQLQIEISA-N 232.308 2.063 0 40 BEAB COc1ccc(NC(C)=O)cc1NC(C)C 35036452 KKDVPQVKRIXVMR-UHFFFAOYSA-N 222.288 2.474 0 40 BEAB NCc1cccc(OC(F)(F)F)c1F 36533745 LHGYLAHYSCRENL-UHFFFAOYSA-N 209.142 2.183 0 40 BEAB CCC1(N)CCN(Cc2ccccc2)CC1 39102098 OHOMUNSUEHHNHS-UHFFFAOYSA-N 218.344 2.390 0 40 BEAB O=C(c1ccc(Cl)o1)N1CCSCC1 40542003 AZHOEKYLHCMXKO-UHFFFAOYSA-N 231.704 2.122 0 40 BEAB NC(=O)c1cc(N)ccc1NC1CCCCC1 41079707 UEEXSBPYHRJAPX-UHFFFAOYSA-N 233.315 2.112 0 40 BEAB CCC(=O)N1CCO[C@@H](c2ccc(C)cc2)C1 41171061 MHRGGFFMYVLARX-CYBMUJFWSA-N 233.311 2.305 0 40 BEAB CC(C)CN1CCC(CN2CCCC2)CC1 47971739 PEQDENINDULYLR-UHFFFAOYSA-N 224.392 2.450 0 40 BEAB COc1ncccc1NC(=O)N1CCC[C@H](C)C1 48286101 AWOGDIFALJLRIV-JTQLQIEISA-N 249.314 2.354 0 40 BEAB CN(C)CCCCOc1ccc(C=O)cc1 49538523 WJQBEHIQCILWGF-UHFFFAOYSA-N 221.300 2.220 0 40 BEAB biogenic c1ccc(-c2cn3ccsc3n2)nc1 51951700 WZOAEQMKLXICPO-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB CC[C@@H](C)Nc1ncnc2c(C)nn(CC)c12 57312364 BBCXNRUNTBOLPP-MRVPVSSYSA-N 233.319 2.365 0 40 BEAB CCCOC(=O)C(C)(C)NC(=O)OC(C)(C)C 65214498 HIDJQESIAANEBG-UHFFFAOYSA-N 245.319 2.243 0 40 BEAB Cc1cc(F)cc(CN2CCC(N)CC2)c1 67801083 JWAHFSRGGRLATO-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB Nc1cc(C(F)(F)F)n(-c2ccccc2)n1 71533018 GLIBCBXCCBTZBT-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB COc1ncc([C@H]2CCCCN2)cc1C 72217734 MPUFJIBZIBBTIY-LLVKDONJSA-N 206.289 2.213 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccnc(C)c1 72219491 KPVFITOGRHIKDO-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB Cc1ncc(Cl)c(C(=O)OC[C@@H]2C[C@@H]2C)n1 76090294 GBJQZVCXGQGFRY-XPUUQOCRSA-N 240.690 2.251 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 76939798 MBNFAZWNZIQYFM-PHDIDXHHSA-N 213.639 2.068 0 40 BEAB COCC(=O)N1CC2(CCCC2)c2ccccc21 81578487 MTJNIHNWXQFUEX-UHFFFAOYSA-N 245.322 2.491 0 40 BEAB COc1ccc(C=O)cc1OCCC(C)(C)O 81676560 AHLAPFIKMKIYEP-UHFFFAOYSA-N 238.283 2.048 0 40 BEAB O=Cc1ccc(CN2CCSCC2)cc1 82188757 MZABBVLYJFXWBE-UHFFFAOYSA-N 221.325 2.048 0 40 BEAB COC(=O)[C@@H]1O[C@@]12C[C@@H](C)CC(C)(C)C2 84324279 XTLCHVQRGWXTST-HOTUBEGUSA-N 212.289 2.143 0 40 BEAB Cc1cc(C)c(C[C@H](C(=O)O)N(C)C)c(C)c1 84532316 MCVXTKMNMVFVQX-CYBMUJFWSA-N 235.327 2.169 0 40 BEAB CCOCCNC(=O)N(C)[C@H](C)CC(C)C 84801357 ZYAYHGBWMCHKON-LLVKDONJSA-N 230.352 2.099 0 40 BEAB CCCc1ncc(C(=O)N2CCCC2)s1 89960525 YXBZWQDNIRAMQF-UHFFFAOYSA-N 224.329 2.332 0 40 BEAB CCn1nccc1CNC1CCCCC1 95435676 IGFDHTMXVLYPII-UHFFFAOYSA-N 207.321 2.325 0 40 BEAB Cc1ccc2ccc(N)c([N+](=O)[O-])c2n1 96029311 IRINVSPFFGRSFV-UHFFFAOYSA-N 203.201 2.034 0 40 BEAB CC(C)(C)[C@@H](CCO)NC(=O)c1ccsc1 97046217 XRNLNGZCFRFRHV-SNVBAGLBSA-N 241.356 2.275 0 40 BEAB CCOC(CN1C[C@@H]2CC=CC[C@H]2C1)OCC 97161651 FQVVROVDNSRBAC-STQMWFEESA-N 239.359 2.284 0 40 BEAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C)[C@H]1[C@H]2C 105365634 XECHVXPHGHIOKX-OBPIAQAESA-N 210.317 2.232 0 40 BEAB biogenic CCOC(=O)/C=C/Cc1ccc(OC)cc1 149789877 ZLVORRPESQLNKJ-GQCTYLIASA-N 220.268 2.357 0 40 BEAB Clc1cnccc1N1CCSCC1 175024816 OEDHRSOVNDCFFF-UHFFFAOYSA-N 214.721 2.288 0 40 BEAB Cc1ccc(CN2CC[C@H](c3ccn[nH]3)C2)cn1 205687822 IZMWAZUEQDMLAX-ZDUSSCGKSA-N 242.326 2.103 0 40 BEAB Cc1nc(C2CC2)ncc1C(=O)NCC(C)C 222559947 ZVQNDUDKSPZJQU-UHFFFAOYSA-N 233.315 2.048 0 40 BEAB Cc1ccnc(COc2ccc(C(=O)O)cc2)n1 226105743 BMSMSRVMJWDGJT-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB NCc1cc2cc(F)ccc2nc1Cl 257842530 CCRYLHNEDLPMPS-UHFFFAOYSA-N 210.639 2.486 0 40 BEAB CCOC(=O)c1cccnc1N1CCC=C(C)C1 280832953 WKFVRPXDACGTTK-UHFFFAOYSA-N 246.310 2.415 0 40 BEAB CC(C)c1nccc([C@@H]2C[C@@H]3CCNC[C@H]3O2)n1 306127192 FRHBUHQGGPMDPM-WCFLWFBJSA-N 247.342 2.040 0 40 BEAB O=C(NC1CC(F)(F)C1)C1CC2(CCC2)C1 335519091 VTSICGWHYXQKKO-UHFFFAOYSA-N 229.270 2.481 0 40 BEAB CCCCn1ncc(Cl)c1C(=O)OC 408716930 STFQUOARVLITAE-UHFFFAOYSA-N 216.668 2.123 0 40 BEAB COC(=O)c1cc(O)c2c(C)c(C)[nH]c2c1 2362797702 JHXGKDWJRRXKLF-UHFFFAOYSA-N 219.240 2.277 0 40 BEAB Cc1cccc(NC(=O)c2n[nH]nc2Cl)c1 1417931 RJANAZWRLCEZKN-UHFFFAOYSA-N 236.662 2.019 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccnc2)C1 1456451 DFJFIOBLLXANPJ-GHMZBOCLSA-N 218.300 2.200 0 40 BEAB O=C1CCCCCN1C(=O)c1ccccc1 1683179 FEFQUIPMKBPKAR-UHFFFAOYSA-N 217.268 2.229 0 40 BEAB Cc1cc(C)c(C)c(S(=O)(=O)O)c1C 1727346 KJJMOCUMRBSKTE-UHFFFAOYSA-N 214.286 2.167 0 40 BEAB O=C(NC1CCCC1)c1cc(C2CC2)on1 2497934 BZWUZTHJGHYKCZ-UHFFFAOYSA-N 220.272 2.224 0 40 BEAB CCOc1ccc(OCC)c(CC(=O)O)c1 3750722 WWLQYLSNISZSQQ-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB COc1cccc(C2=NC(=C(C)C)C(=O)O2)c1 5001129 JMXOGTRSSJXODR-UHFFFAOYSA-N 231.251 2.293 0 40 BEAB CCNC(=S)NCCc1c[nH]c2ccccc12 5807709 DTNUOHQIAMEWKG-UHFFFAOYSA-N 247.367 2.194 0 40 BEAB Cc1cc(NC(=O)NC2CCCCC2)n[nH]1 6187830 CCPSPAHMIOAMEG-UHFFFAOYSA-N 222.292 2.172 0 40 BEAB COC(=O)c1c(C=O)c2cc(C)ccc2n1C 8414145 OPDWYEMHABWRJL-UHFFFAOYSA-N 231.251 2.086 0 40 BEAB Cc1ccc(F)cc1NC(=O)C1CCOCC1 8769140 SKXOFUZCDYFEMW-UHFFFAOYSA-N 237.274 2.499 0 40 BEAB CC[C@H](C)NCc1ccc(C(=O)O)cc1 10474944 JWFHVZIMTOCWHA-VIFPVBQESA-N 207.273 2.273 0 40 BEAB Cc1ccc(C(=O)Nc2cc(C)nn2C)cc1 13596259 ZVGXCUJVLWTJAM-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB Cn1cc(Br)c2ccncc21 19290461 KGRPPHQYYHQOFZ-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB CCN(C[C@H]1CCCN1)C1CCCCC1 20073342 KYSMEIDAADLRAM-GFCCVEGCSA-N 210.365 2.393 0 40 BEAB NC[C@H](c1ccco1)N1CCc2ccccc2C1 20225230 NHSIPJWBPBZHNW-CQSZACIVSA-N 242.322 2.338 0 40 BEAB NCc1ccc(-n2ccc(C3CC3)n2)cc1 20352255 ARLUPHAGSNREHD-UHFFFAOYSA-N 213.284 2.208 0 40 BEAB O=C(CCc1ccsc1)Nc1ncccc1O 22264002 MSRCJNIWJCGWDD-UHFFFAOYSA-N 248.307 2.420 0 40 BEAB CCC[C@H](C(=O)OC)N1C[C@@H](C)C[C@@H](C)C1 22538678 NPBBRGNFLTWNPV-GRYCIOLGSA-N 227.348 2.306 0 40 BEAB Cc1ccccc1CN(C)C(=O)NC1CC1 26518620 AIIJTHZHPSEZBD-UHFFFAOYSA-N 218.300 2.299 0 40 BEAB Nc1cccc2cnn([C@@H]3CCCCO3)c12 30677808 VWVNXVCFAWCDRM-NSHDSACASA-N 217.272 2.318 0 40 BEAB CC(C)CCCCCOC(=O)/C=C\C(=O)O 31333041 FDNBQVCBHKEDOJ-FPLPWBNLSA-N 228.288 2.387 0 40 BEAB C[C@@H](c1cccc(-c2cnc(N)nc2)c1)N(C)C 32581767 ZFPARNSQMHQSEQ-JTQLQIEISA-N 242.326 2.348 0 40 BEAB Clc1cccn2c(-c3ccccn3)nnc12 32587079 FJIVTAGSPATYKE-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB C=CC(=O)N[C@@H]1CCCc2ccccc21 35180707 SYTWQUHOEMWOBV-GFCCVEGCSA-N 201.269 2.366 0 40 BEAB Cc1n[nH]cc1CN[C@@H]1CCOc2ccccc21 37074406 YGQOGPHLEPIFOL-CYBMUJFWSA-N 243.310 2.332 0 40 BEAB O=C1OC[C@H](c2ccccc2)N1C(=O)C1CC1 38351331 ZGPUIBZXENOOTL-LLVKDONJSA-N 231.251 2.117 0 40 BEAB CC(C)c1nc([C@H](N)Cc2ccccc2)n[nH]1 41161402 PBNHXEGDTZQTFW-LLVKDONJSA-N 230.315 2.171 0 40 BEAB O=C(c1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 41194601 CVTYJDOOFJNMQB-KBPBESRZSA-N 245.322 2.470 0 40 BEAB O=C(Cc1ccccc1F)NCC(F)(F)F 42236874 DBJIPKAMIQRGSK-UHFFFAOYSA-N 235.180 2.047 0 40 BEAB COCCNC(=O)Nc1ccc(Cl)cc1F 43276395 IKHPPECLANHPMS-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB CC(C)C(=O)Nc1cccc(/C=C/C(=O)O)c1 49591941 YDMHTXNNYAVGMU-VOTSOKGWSA-N 233.267 2.379 0 40 BEAB CCCNC(=O)COc1c(C)cccc1C 49890876 LJCCJZKCDJMJDV-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB COC(=O)c1[nH]cc(-c2cccc(OC)c2)c1N 57519912 YRUZYAZMWWWMAG-UHFFFAOYSA-N 246.266 2.059 0 40 BEAB CCSc1nncn1Cc1ccco1 58635030 ZPPCPMUBSIVWBK-UHFFFAOYSA-N 209.274 2.031 0 40 BEAB NC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21 60061543 SKWDOQRRLDLDNU-AWEZNQCLSA-N 244.338 2.014 0 40 BEAB O=C(O)c1cccc2[nH]c(-c3cccnc3)nc12 62136942 JORAKCUOJBWTKP-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB CCc1nc2ccccc2n1C[C@H]1CCCN1 62807713 CEDKIDADDSYGOD-LLVKDONJSA-N 229.327 2.351 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 65412586 XYQZYGFBKBRIFA-JTQLQIEISA-N 244.298 2.252 0 40 BEAB CCN1CCc2ccc(NC(=O)NC3CC3)cc21 71795664 FLCGLAAUSMUTSE-UHFFFAOYSA-N 245.326 2.353 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccnc(C)c1 72219452 ONKJTTOMVVIQDV-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB O=C(O)c1cncc(C2SCCS2)c1 72220885 PDKHXLKODMUXAU-UHFFFAOYSA-N 227.310 2.258 0 40 BEAB CC[C@@H](O)c1cnc(NC2CC2)cc1C 72223813 ABNCBGAMMBPZIO-LLVKDONJSA-N 206.289 2.408 0 40 BEAB c1nc([C@H]2CCCNC2)cnc1NC1CCCC1 72386459 OSKTYDNUMVMRCC-NSHDSACASA-N 246.358 2.298 0 40 BEAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(N)=O 77538755 PVGVEMIKXIVFLG-WCBMZHEXSA-N 222.263 2.082 0 40 BEAB Cc1ncsc1C(=O)OCC[C@H]1CCCO1 79015952 KHIIVSCPBHJYFY-SECBINFHSA-N 241.312 2.177 0 40 BEAB CCOC[C@H](O)CN1CCCc2ccc(C)cc21 79099934 LYEQANBFWFMJKX-CQSZACIVSA-N 249.354 2.145 0 40 BEAB CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1 82164382 ZLVXMRWSDDVRFP-IUODEOHRSA-N 247.386 2.210 0 40 BEAB in-vitro Cc1ccc(OCC(=O)O)cc1Br 82309235 MMPKCAQTRVSPER-UHFFFAOYSA-N 245.072 2.221 0 40 BEAB Fc1cccnc1NCC1CCOCC1 82545061 RDLLIXJKRKAZRZ-UHFFFAOYSA-N 210.252 2.059 0 40 BEAB COC(=O)Cc1coc2cc(F)c(F)cc12 85399363 WZBBFXBZENWKRA-UHFFFAOYSA-N 226.178 2.427 0 40 BEAB COC(=O)[C@H]1O[C@]1(C)c1cccc(Cl)c1 85657582 DRJTWSSWHQHRLH-MWLCHTKSSA-N 226.659 2.127 0 40 BEAB COc1cc(OC)cc(C(=O)C2CC2)c1 87124013 KELXCAUWSMFQGF-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB C[C@H]1CN(C(=O)C2CCC2)C[C@@H](C)S1 89937056 HNPMPRCBBDFCIN-DTORHVGOSA-N 213.346 2.139 0 40 BEAB CC(C)Oc1cc(C=O)c(Br)cn1 90413116 NXXBYQZTUQBDLE-UHFFFAOYSA-N 244.088 2.444 0 40 BEAB in-vitro CCS[C@H]1CCCC[C@H]1NC(C)=O 95408787 IHDTUDKWHBNSMF-ZJUUUORDSA-N 201.335 2.187 0 40 BEAB COCCOC(=O)/C=C/c1nc2ccccc2o1 95946878 SQHBYGIKDSGYDZ-VOTSOKGWSA-N 247.250 2.031 0 40 BEAB CC(C)=CCC[C@H](C)CN1CCNCC1 96024389 JASACXKTGGBKTB-ZDUSSCGKSA-N 210.365 2.274 0 40 BEAB OCC1([C@H](O)C2CCCCC2)CCCC1 96527332 POUGVQUCZBZJKY-GFCCVEGCSA-N 212.333 2.480 0 40 BEAB CC[C@H](C)[C@H](CO)NC[C@H]1CC=CCC1 97020840 NSRYYTIJSMXDDB-AVGNSLFASA-N 211.349 2.339 0 40 BEAB COCC12C[C@H]3C[C@@H](CC(CO)(C3)C1)C2 100135364 CACIRHJYPOJFFR-ZSVAQUKISA-N 210.317 2.212 0 40 BEAB C1=C[C@H]2C[C@H]1C[C@H]2CN1CCCC2(C1)OCCO2 102214661 HCPMBGQVNPJFSM-IHRRRGAJSA-N 249.354 2.038 0 40 BEAB CN[C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 108480952 HEGQPHRJUUZQNJ-UKRRQHHQSA-N 232.371 2.159 0 40 BEAB N[C@H]1C[C@@H]2C[C@@H]1C1(C2)SCCCS1 217613310 YSKFCZIPASFMFO-CIUDSAMLSA-N 215.387 2.310 0 40 BEAB CC(C)CNCc1ccnn1C(F)F 256052736 OLKSLMAQZVOYMA-UHFFFAOYSA-N 203.236 2.024 0 40 BEAB CN1C[C@H]2CC[C@H]1C[C@]2(C(=O)O)c1ccccc1 257197847 KUIZXVCXWHFUNO-IPYPFGDCSA-N 245.322 2.123 0 40 BEAB CCCn1ccc(COCC(F)(F)F)n1 408716951 TVTAWXZZYXUUPQ-UHFFFAOYSA-N 222.210 2.372 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCC[C@@H]2N)C1 606301682 WECIFHYVUQJQBW-JTQLQIEISA-N 240.347 2.125 0 40 BEAB CCc1[nH]c2cccc(O)c2c(=O)c1CC 685938798 YLTRJLVPOBIQAU-UHFFFAOYSA-N 217.268 2.359 0 40 BEAB Nc1cccc(-c2ncnc3ccoc23)c1 2362804930 UXMLKSAWHVWRLN-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CCc1nc2ccccc2n1C[C@H](C)C(=O)O 316315 CVVGRNCBKTYVCX-VIFPVBQESA-N 232.283 2.319 0 40 BEAB Oc1cnc(Nc2nc3ccccc3o2)[nH]1 492964 NRWAOENQTBAQQU-UHFFFAOYSA-N 216.200 2.000 0 40 BEAB Cc1ccccc1C(=O)NC(=S)NC(C)C 1003826 SNYLFBPGMSTJKV-UHFFFAOYSA-N 236.340 2.008 0 40 BEAB COc1nc(Cl)nc(Cl)c1Cl 1757520 BZTPNKVJZQZTQV-UHFFFAOYSA-N 213.451 2.445 0 40 BEAB in-vitro Nc1nn(COc2ccccc2F)cc1Cl 2534933 ULHCANIKGDFDFW-UHFFFAOYSA-N 241.653 2.294 0 40 BEAB COc1ccc(-n2c(C)cc(=O)cc2C)cc1 3167657 PGGUHASYVJXGTK-UHFFFAOYSA-N 229.279 2.463 0 40 BEAB CCOC(=O)CSc1nncc2ccccc12 4070811 ZHJZKNJNUQWLFU-UHFFFAOYSA-N 248.307 2.285 0 40 BEAB CCc1nnc(SCc2cccc(C)c2)n1N 5413125 IBAGOZOOCRVFAS-UHFFFAOYSA-N 248.355 2.155 0 40 BEAB O=C(O)c1ccc2[nH]c3c(c2c1)CCC3 5865531 HTKITKAJVLQHNT-UHFFFAOYSA-N 201.225 2.355 0 40 BEAB CC[C@H](Sc1ccc(N)cc1)C(=O)O 8702160 AQFDKDTUKOHKGL-VIFPVBQESA-N 211.286 2.224 0 40 BEAB c1cnc(Nc2ccc3c(c2)OCCCO3)nc1 12523150 ITCFKUWBSANREB-UHFFFAOYSA-N 243.266 2.382 0 40 BEAB C[C@@H]1CCCCN1CC(=O)NCc1ccccc1 12945679 WBVDFNHPWQAQRG-CYBMUJFWSA-N 246.354 2.177 0 40 BEAB CC(C)C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13425061 OKDZSBOUVNBQMR-STQMWFEESA-N 239.359 2.450 0 40 BEAB biogenic CCCCCC[C@H](C)NC(=O)CCC(=O)O 13943681 UOMULHPGIOYJNB-JTQLQIEISA-N 229.320 2.326 0 40 BEAB CNC(=O)c1oc2ccc(F)cc2c1C 13987554 ZMGPRVUGMSYTDA-UHFFFAOYSA-N 207.204 2.240 0 40 BEAB Cc1cc(C)cc(O[C@H]2CCCNC2)c1 14631710 PHHJEWDGFQSIJW-LBPRGKRZSA-N 205.301 2.434 0 40 BEAB FC(F)(F)COc1cncc(Cl)n1 19421813 UCAZQUDLXKULAG-UHFFFAOYSA-N 212.558 2.071 0 40 BEAB in-vitro c1ccc2c(c1)CCN(C[C@H]1CCCNC1)C2 19488920 BLKZEYSCTIRNNY-ZDUSSCGKSA-N 230.355 2.044 0 40 BEAB Brc1ccc2c(c1)[C@H]1O[C@H]1C2 19796225 UAGHGQOZRFSNLO-DTWKUNHWSA-N 211.058 2.445 0 40 BEAB O=C(Nc1ccon1)c1ccn(C2CCCC2)n1 32648459 FBPMBZROEUXJHW-UHFFFAOYSA-N 246.270 2.239 0 40 BEAB CSCC(=O)NC1CCC(C)CC1 33029083 FTMHIUPZPPPWJH-UHFFFAOYSA-N 201.335 2.044 0 40 BEAB c1c[nH]c(-c2nccn2Cc2ccsc2)n1 34476512 CUTQMZGIYBKXCH-UHFFFAOYSA-N 230.296 2.383 0 40 BEAB CCOc1ccc(-c2cc(CO)no2)cc1 36159908 XNEZXIPNFNRYJH-UHFFFAOYSA-N 219.240 2.233 0 40 BEAB CC(C)N(CCCC(=O)O)C(=O)OC(C)(C)C 37585791 XBDRNBCYAGWDJX-UHFFFAOYSA-N 245.319 2.497 0 40 BEAB Cn1c(C(=O)Nc2nccs2)cc2occc21 40286549 MIDDMVVRZCJGDL-UHFFFAOYSA-N 247.279 2.480 0 40 BEAB CN(C)c1ccc(NC(=O)C2CCCC2)cn1 44896785 ODGYYCGJTPVOJS-UHFFFAOYSA-N 233.315 2.276 0 40 BEAB C[C@H](NCC(C)(C)O)c1ccc(F)cc1 49506081 MKIXJHMNUABXNU-VIFPVBQESA-N 211.280 2.247 0 40 BEAB Cc1cc(OCCO)c2cccc(C)c2n1 53994801 BVAUVOORCWCNOW-UHFFFAOYSA-N 217.268 2.223 0 40 BEAB COc1cccc(C2CCNCC2)c1OC 62951063 ABPHFZHBWGLVDP-UHFFFAOYSA-N 221.300 2.171 0 40 BEAB Cn1cc([C@@H]2CCNC2)c2ccccc21 71490220 PVOOKVSJLRNITM-SNVBAGLBSA-N 200.285 2.255 0 40 BEAB in-vitro Cc1cc(N(C)C)ncc1[C@@H]1CCCN1C 72218665 FEHBFAWECJCHDF-LBPRGKRZSA-N 219.332 2.223 0 40 BEAB CC[C@@H](N)c1ccc(Br)nc1 72225035 YRLBPLCCTPSXGR-SSDOTTSWSA-N 215.094 2.254 0 40 BEAB Cc1cc(C)cc(-c2nn3cnnc3s2)c1 73638552 HRRYNURUFOUHOI-UHFFFAOYSA-N 230.296 2.470 0 40 BEAB CCc1cc2c(N[C@@H](C)CO)ncnc2s1 75136735 JNCZDNXLXATLCV-ZETCQYMHSA-N 237.328 2.046 0 40 BEAB CC(C)c1nc(CNC(C)(C)C(=O)O)cs1 83644253 ACSHJTZIVHEQMY-UHFFFAOYSA-N 242.344 2.219 0 40 BEAB COc1cccc(C(=O)c2ccc(C(=O)O)o2)c1 85394394 OSBIQUANNFGSAH-UHFFFAOYSA-N 246.218 2.217 0 40 BEAB Cc1cccc(-n2nc(N)c(C(F)(F)F)n2)c1 89262501 LFQHJDPLPLKMRT-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB C[C@H](SC[C@@H]1CCC[C@@H](C)C1)C(N)=O 92338527 IWXFFWPZXPAOCY-KXUCPTDWSA-N 215.362 2.420 0 40 BEAB Cc1cccc(O)c1I 95710988 SQQLELZQLWQUEP-UHFFFAOYSA-N 234.036 2.305 0 40 BEAB C[C@@H](Oc1cccc(OC2CCCC2)c1)C(N)=O 97114995 HNTYFNKXOIQJSB-SNVBAGLBSA-N 249.310 2.261 0 40 BEAB O=C(C[C@H]1C=CCC1)NCC(F)(F)C(F)F 195580150 UHTVBMSQNKHTTE-ZETCQYMHSA-N 239.212 2.359 0 40 BEAB COC(=O)CCc1cc(F)c(F)cc1F 199556959 BQZGJLCVIRQSAQ-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB COc1cc(C2=CCN(C)CC2)ccc1[N+](=O)[O-] 202645133 VPOSIUKVFAZWQD-UHFFFAOYSA-N 248.282 2.322 0 40 BEAB Cn1cc(-c2ccc([C@H]3CCCCN3)cn2)cn1 205677064 RZUNFFQPLXSZQV-CYBMUJFWSA-N 242.326 2.297 0 40 BEAB CC1CCN(c2nsc(Cl)n2)CC1 213181488 HHOJPZYGFKLWOC-UHFFFAOYSA-N 217.725 2.428 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1ccccc1C 224980576 UDKLGYFYDMNUMZ-JTQLQIEISA-N 207.273 2.294 0 40 BEAB C[C@@H]1CNCC[C@]1(O)Cc1ccccc1Cl 229558853 XNNGSDYBPFDYAJ-MFKMUULPSA-N 239.746 2.243 0 40 BEAB FC(F)c1nccnc1Br 256051462 JGIGEWSWTJSYJP-UHFFFAOYSA-N 208.993 2.177 0 40 BEAB O[C@@H]1CC[C@H]1NCc1cccc(C(F)(F)F)c1 424196984 GXHVWHBVWOTBLW-GHMZBOCLSA-N 245.244 2.318 0 40 BEAB COC(=O)C1CCC2(CCC(O)CC2)CC1 575441379 JVEUERSWIGNZOF-UHFFFAOYSA-N 226.316 2.271 0 40 BEAB N[C@H]1C[C]2CC[C@H](C1)N2Cc1ccccc1 1560406746 VRDZRXPTJGBQSB-CHWSQXEVSA-N 215.320 2.304 0 40 BEAB Cc1ccc(OCc2nnc(N)s2)c(C)c1 52489 MZBSWNVTBJDHRC-UHFFFAOYSA-N 235.312 2.316 0 40 BEAB in-vitro c1ccc(SCc2cn3cccnc3n2)nc1 79683 XQBOFUVHPKUYNZ-UHFFFAOYSA-N 242.307 2.417 0 40 BEAB c1nc(N2CCSCC2)c2ccsc2n1 115874 PHOQZCVNCNXLLX-UHFFFAOYSA-N 237.353 2.245 0 40 BEAB CCOCCn1c(=O)cc(C)c2ccccc21 1701901 RHOUBQXUSPAZBH-UHFFFAOYSA-N 231.295 2.346 0 40 BEAB CO[C@@H](C)CCOC(=O)c1ccccc1 1711267 RUGMGYXXKKRBRJ-JTQLQIEISA-N 208.257 2.268 0 40 BEAB Cc1cc(NCc2ccccc2)cc(=O)n1C 2507032 SGVPZKLBQCMZNU-UHFFFAOYSA-N 228.295 2.306 0 40 BEAB CN(CCCc1nc2ccccc2[nH]1)N=O 4772405 LNMNVOMSLNFHTL-UHFFFAOYSA-N 218.260 2.109 0 40 BEAB CC1=Nc2c(cc(C)c3nsnc23)NC(=O)C1 5277131 YDIOVDKUQGSQPR-UHFFFAOYSA-N 246.295 2.434 0 40 BEAB CCCNC(=O)CN1Cc2cc(C)c(C)cc2C1 6879696 JYTFSEIUUXMROJ-UHFFFAOYSA-N 246.354 2.145 0 40 BEAB CN(C)C(=O)COc1ccccc1C(C)(C)C 8041490 LMUIOUYGWKUANR-UHFFFAOYSA-N 235.327 2.451 0 40 BEAB C[C@@H](C(=O)c1ccncc1)c1ccccn1 8582170 RXIQIWCMEYWGSF-SNVBAGLBSA-N 212.252 2.463 0 40 BEAB in-vitro CCNC(=O)CNc1cccc(Cl)c1C 9217425 GLKIXQMAWMLXNJ-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB CN(C)C(=O)N1CCCC[C@@H]1c1cccnc1 11535909 NCJUHIQDGITYSQ-GFCCVEGCSA-N 233.315 2.290 0 40 BEAB biogenic CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 13011747 JWMDRRQNALENEU-SKDRFNHKSA-N 246.310 2.031 0 40 BEAB CNC(=O)Cc1csc(-c2ccc(C)cc2)n1 15480507 LUQQWDWDUXMFGH-UHFFFAOYSA-N 246.335 2.407 0 40 BEAB Nc1cc(CCC(=O)O)ccc1Br 21303784 JOZXCVUOUYMMEU-UHFFFAOYSA-N 244.088 2.049 0 40 BEAB CC(C)CCCNC(=O)c1ccc2[nH]nnc2c1 25314066 PMWNDMDZSNONDJ-UHFFFAOYSA-N 246.314 2.124 0 40 BEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCCC1 33040180 FEEFIBVJWZRKLH-GFCCVEGCSA-N 244.338 2.060 0 40 BEAB O=C(O)/C=C\c1cc(F)c(F)cc1F 33374095 KFVQEUPEGKJFCW-UPHRSURJSA-N 202.131 2.202 0 40 BEAB CCOC(=O)Cc1csc(C(C)C)n1 34415735 WBOKRIJKCMYJJM-UHFFFAOYSA-N 213.302 2.372 0 40 BEAB in-vitro CCOC(=O)[C@@H](C)Oc1cccc(OC)c1 34591242 HZWBLFWDSWTRPC-SECBINFHSA-N 224.256 2.026 0 40 BEAB Cc1c(C(=O)N[C@H](C)CO)sc2ccccc12 35204148 WEQCBXBIAFNFIP-MRVPVSSYSA-N 249.335 2.320 0 40 BEAB Cc1cc(N2CCSCC2)ccc1N 35277567 XEJNWQFAOCDDTQ-UHFFFAOYSA-N 208.330 2.130 0 40 BEAB in-vitro CCCCc1nc(C(=O)O)c(Cl)[nH]1 36437249 FETCESOEGZHHTR-UHFFFAOYSA-N 202.641 2.104 0 40 BEAB CCOC(=O)CCN1CCc2ccccc21 36668764 JMCFJWZCMCEYSN-UHFFFAOYSA-N 219.284 2.002 0 40 BEAB CC(=O)Nc1ccc(C(=O)c2ccncc2)cc1 37356883 XSYXTYUHLPVHEO-UHFFFAOYSA-N 240.262 2.271 0 40 BEAB Cc1cc(NCc2nccs2)nc(C)n1 40444455 YJXCLCLVQLWLKH-UHFFFAOYSA-N 220.301 2.162 0 40 BEAB O=C(CC(F)(F)F)NCc1cccs1 40496628 IWDIJVQCSPYQAA-UHFFFAOYSA-N 223.219 2.317 0 40 BEAB C[C@@H](N)[C@H](c1ccccc1Cl)n1cccn1 43053015 RBFBNXLLMBVAJX-BXKDBHETSA-N 235.718 2.473 0 40 BEAB Cc1cc(C)cc(C(=O)NCC2(O)CCCC2)c1 44158329 NHGRJLWVVFUFNB-UHFFFAOYSA-N 247.338 2.338 0 40 BEAB Cc1cc(C)cc(C[C@H](C(=O)O)N2CCCC2)c1 57536423 XFOJOEYBLHBZBE-CQSZACIVSA-N 247.338 2.395 0 40 BEAB CC(C)[C@H](NCC(N)=O)c1ccc(Cl)cc1 58279967 INOHVGRDDOHTMJ-LBPRGKRZSA-N 240.734 2.112 0 40 BEAB O=C(O)COc1cccc(CNC2CCCC2)c1 62717054 YCJRRMJLCKXTCI-UHFFFAOYSA-N 249.310 2.182 0 40 BEAB CCN(C)c1ncccc1[C@H]1CCCN1C(C)=O 72212770 OZAAMHPOFBAOFW-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB CCc1noc([C@H](C)Sc2ncc[nH]2)n1 78931883 DEBCGJJHNZQYMI-LURJTMIESA-N 224.289 2.208 0 40 BEAB CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 82168596 UIFQDMYKSAIEGV-UHFFFAOYSA-N 219.162 2.369 0 40 BEAB CC(C)c1noc(Cc2nc(C(C)C)no2)n1 85392283 YRZMPFPUXBXGQN-UHFFFAOYSA-N 236.275 2.290 0 40 BEAB C[C@H]1CCNc2cc(Br)cnc2N1 87261250 WSPXRJSKUGJUKY-LURJTMIESA-N 242.120 2.460 0 40 BEAB Cc1ccccc1[C@@H](NCCO)C(C)C 91265624 HXQAWUCRQQRIIM-ZDUSSCGKSA-N 207.317 2.274 0 40 BEAB CCOc1cc(CNC)c(Cl)cc1OC 95094953 RRRVHUVXEBJFTE-UHFFFAOYSA-N 229.707 2.467 0 40 BEAB Cc1ccccc1Sc1nccn(C)c1=O 95403098 BCSXLSQBSFAIFD-UHFFFAOYSA-N 232.308 2.240 0 40 BEAB Clc1cnc(N[C@@H]2CCCc3cn[nH]c32)nc1 95421554 KFIINSNYFFVBCK-SECBINFHSA-N 249.705 2.343 0 40 BEAB CC(C)c1n[nH]c([C@@H](N)c2ccc(F)cc2)n1 95533245 TYFQJSGHGKKBAD-JTQLQIEISA-N 234.278 2.115 0 40 BEAB O=C(Nc1nc(C2CC2)no1)[C@H]1CC=CCC1 96407933 WFVIQRNNAUKCDI-VIFPVBQESA-N 233.271 2.242 0 40 BEAB C1=CNC(Cc2cccc3ccccc23)N1 100223511 XHWLGSOZKMISKI-UHFFFAOYSA-N 210.280 2.372 0 40 BEAB COC(=O)C(=O)c1cc(Cl)ccc1Cl 159213962 OVOKZARCQCGFLX-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB NC1C[C@H]2CC[C@H](C1)C21SCCS1 217637231 ICZVEWGQBDTQPN-HTQZYQBOSA-N 215.387 2.310 0 40 BEAB CCNC(=S)Nc1ncc(C)cc1Cl 223866647 QGPRPZHDSWBKEQ-UHFFFAOYSA-N 229.736 2.350 0 40 BEAB Cc1cccc(NC(=O)c2nonc2C)c1F 225548394 ZKMXEAHDHNOWII-UHFFFAOYSA-N 235.218 2.078 0 40 BEAB O=C(NC1CC1)c1ccc2nc(Cl)oc2c1 225974387 MIXMRBZEIRMLSI-UHFFFAOYSA-N 236.658 2.373 0 40 BEAB CCCn1cc(CNCc2cccn2C)c(C)n1 256054591 WXLNNEUGKFRNJR-UHFFFAOYSA-N 246.358 2.230 0 40 BEAB Cc1cn([C@H](C)CC(=O)O)nc1C(F)(F)F 408717011 UTGJTXFYYYNKTD-ZCFIWIBFSA-N 236.193 2.246 0 40 BEAB CN(C)[C@@H]1CCCC[C@@H]1Oc1ccccn1 585654602 JQTHWLUXDKASSY-NEPJUHHUSA-N 220.316 2.333 0 40 BEAB Cc1ccccc1C(=O)n1nnc2ccccc21 238995 HDHGBFOLLYAZOD-UHFFFAOYSA-N 237.262 2.428 0 40 BEAB Cc1ccn(C(=O)COc2ccccc2C)n1 359015 HFBODWPUAAWDGR-UHFFFAOYSA-N 230.267 2.219 0 40 BEAB O=C(O)c1ccccc1C(=O)Nc1ccncc1 1512611 RLEVXODSFIUNMV-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB C/C=C/C(=O)OCC[C@@H](C)OC(=O)/C=C/C 1598532 ZTVGGPBXWHCVLE-YZABNELQSA-N 226.272 2.004 0 40 BEAB O=C(O)[C@H](O)c1ccc(Cl)cc1Cl 1601870 YBOCBYSVZOREGT-SSDOTTSWSA-N 221.039 2.111 0 40 BEAB c1cc2c(cc1C1CCNCC1)NCC2 2512997 IYKONFXKMZDYFY-UHFFFAOYSA-N 202.301 2.122 0 40 BEAB O=C(Nc1cccnc1Cl)C(F)(F)F 3164693 KBYKMXBOXNFLPD-UHFFFAOYSA-N 224.569 2.236 0 40 BEAB N[C@H](C(=O)O)c1c(Cl)cccc1Cl 3676997 CEAIBRZKLBUDQF-ZETCQYMHSA-N 220.055 2.078 0 40 BEAB biogenic,in-vitro O=C1NC(=O)[C@H](Cc2cc3ccccc3o2)S1 4110183 ZWYUQEXIJUOOOQ-JTQLQIEISA-N 247.275 2.327 0 40 BEAB CC(C)(C)Oc1cccc([C@H](N)CC(=O)O)c1 4284227 VYJNLRQIZFVKBO-LLVKDONJSA-N 237.299 2.338 0 40 BEAB Cc1ccc(NC(=O)CN2CCCCC2)cc1N 8703614 QLNNHEUOGVZZPA-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB CCC[C@H](Oc1ccccc1F)C(=O)O 8730630 KULAXTWCZKMQBG-JTQLQIEISA-N 212.220 2.458 0 40 BEAB O=C(Cc1ccccc1)Nc1onc2c1CCC2 8736910 OQLSLINGSKOECE-UHFFFAOYSA-N 242.278 2.345 0 40 BEAB C1Cc2nc(C3CCNCC3)sc2C1 11632072 INHBPGNNOVNCQK-UHFFFAOYSA-N 208.330 2.099 0 40 BEAB Cc1ccc2c(c1C)OC1(CCNCC1)CC2=O 11849200 UZSDJFINDVVVLT-UHFFFAOYSA-N 245.322 2.391 0 40 BEAB Nc1nnc(-c2ccc(Br)s2)o1 19407926 BZJZZNUHCSAJMC-UHFFFAOYSA-N 246.089 2.143 0 40 BEAB in-vitro CC[C@H](CO)N[C@H](C)c1ccccc1OC 20194863 HTJFCOKMDJSZPA-GHMZBOCLSA-N 223.316 2.117 0 40 BEAB Nc1cc(-c2cccc(OC(F)F)c2)[nH]n1 20475843 PCKTYZPZWTVXCO-UHFFFAOYSA-N 225.198 2.260 0 40 BEAB CN(C)C(=O)c1cccc(NC(=O)C2CCC2)c1 22509905 DMQBYWYIJZGSRN-UHFFFAOYSA-N 246.310 2.127 0 40 BEAB O=C(Nc1cc(F)ccc1F)C1CCOCC1 24636001 MMHGDVWZYONVPE-UHFFFAOYSA-N 241.237 2.330 0 40 BEAB CCCCC(=O)NCc1cnc(C)s1 32611494 LCQNDCSTXOQRLK-UHFFFAOYSA-N 212.318 2.258 0 40 BEAB O=C(Nc1cccc(F)c1)[C@@H](O)c1ccccc1 32876667 RQIUXRAXTOAUOG-ZDUSSCGKSA-N 245.253 2.498 0 40 BEAB COc1ccc(-n2cc(Cl)ccc2=O)cc1 32919139 CPVAYQQAMXFQLP-UHFFFAOYSA-N 235.670 2.500 0 40 BEAB Cc1cccc([C@@H]2CCCN2S(C)(=O)=O)c1 35476425 MSPUTABRSHFLEZ-LBPRGKRZSA-N 239.340 2.092 0 40 BEAB COC[C@H](C)Nc1ncnc2ccsc12 37375086 HQWNKGUTBLKZTM-ZETCQYMHSA-N 223.301 2.138 0 40 BEAB O[C@H](c1cccc(F)c1)c1ccccn1 37464705 SWWDFRDACYVBNF-GFCCVEGCSA-N 203.216 2.302 0 40 BEAB in-vitro NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 37637770 BADNMTZPLBXRAH-UHFFFAOYSA-N 243.237 2.156 0 40 BEAB Nc1ccc(SCCO)c(C(F)(F)F)c1 37754742 UZKAQVWTISXEPT-UHFFFAOYSA-N 237.246 2.372 0 40 BEAB COC(=O)C(C)(C)Nc1ccc(C)cc1 37953347 QKAYKRFSJSDPCH-UHFFFAOYSA-N 207.273 2.359 0 40 BEAB NC(=O)c1ccc(Cl)c(OC(F)(F)F)c1 39712943 HNOZOZSDXUHJCJ-UHFFFAOYSA-N 239.580 2.338 0 40 BEAB CC/C=C(\C)C(=O)Nc1ccc(OC)nc1 42720865 SEVZGSOPCSNEAQ-WEVVVXLNSA-N 220.272 2.385 0 40 BEAB O=C(NCCO)Nc1cc(Cl)cc(Cl)c1 42875152 PAUPCEFAPMPJRR-UHFFFAOYSA-N 249.097 2.107 0 40 BEAB CC(C)C(=O)NCCCN1CCCCCC1 57288841 AXBBFYACDGXWRX-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB C[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 59681454 HYTHUSLXQOXIBJ-ZJUUUORDSA-N 229.320 2.157 0 40 BEAB in-vitro CCCN1Cc2cccc(NC(C)=O)c2C1 66514998 RVDWUHINFIVFDE-UHFFFAOYSA-N 218.300 2.371 0 40 BEAB COc1ccc(-c2nocc2C(=O)O)cc1 71521118 ZXRHWDNLDVEZJT-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 71849608 NNHGIQSEALRYIH-UHFFFAOYSA-N 234.255 2.219 0 40 BEAB CC(C)=CCN1CC(n2nc(C)cc2C)C1 71880746 BKDNQZWYJFBOIB-UHFFFAOYSA-N 219.332 2.323 0 40 BEAB C[C@H](CC(=O)Nc1ccccc1)[C@H]1CCCN1 72208207 VFKXYTDTXIIOOX-DGCLKSJQSA-N 232.327 2.403 0 40 BEAB CCCn1c(C(C)=O)cc(C=O)c1CC 78404389 KFACJXPUMGBFCK-UHFFFAOYSA-N 207.273 2.476 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCC(=O)CC1 83324180 RNYJEXKDUIEGRX-SECBINFHSA-N 227.304 2.413 0 40 BEAB Nc1[nH]nc(C(F)(F)F)c1-c1cccnc1 87617896 NLGSQHXERZYOKD-UHFFFAOYSA-N 228.177 2.073 0 40 BEAB c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccn1 89884957 YCSMPAGHWBMOIM-UONOGXRCSA-N 232.327 2.225 0 40 BEAB COc1cccc(CO)c1C(F)(F)F 91252073 JHIRVPLLKYZKQB-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB O=Cc1ccc(CN2CCSCC2)c(F)c1 95738665 PDIUCRHJPCXUTF-UHFFFAOYSA-N 239.315 2.187 0 40 BEAB CN(Cc1ccncc1)Cc1ccn(C)c1 97113737 ADFOJUDRMLURFB-UHFFFAOYSA-N 215.300 2.052 0 40 BEAB Cc1cc(C(=O)N2C[C@H]3CCCC[C@H]3C2)no1 98018863 MWIOJYUTPGIFQY-PHIMTYICSA-N 234.299 2.245 0 40 BEAB CN1[C@H]2CC[C@@H]1C[C@H](NCc1ccccc1)C2 100243797 IJBWOPMYRYEKGI-QDMKHBRRSA-N 230.355 2.401 0 40 BEAB O=C(CC(=O)c1ccco1)c1ccco1 100477623 KCLJMJPZQAPYOG-UHFFFAOYSA-N 204.181 2.328 0 40 BEAB COC(=O)c1cc2cc(C)c(F)cc2[nH]1 114673766 CIRGVMVVIOKRIP-UHFFFAOYSA-N 207.204 2.402 0 40 BEAB c1nc(N2CCCCCC2)cnc1[C@H]1CCCN1 205698325 NBWBXIWKZORHGO-GFCCVEGCSA-N 246.358 2.282 0 40 BEAB Cc1cc(Br)cc(/C=C/CO)c1O 216783759 JKEDOXQWBSCFOZ-NSCUHMNNSA-N 243.100 2.469 0 40 BEAB CNCC[C@@H](CCO)c1cccc(C)c1 217800839 WKFGAMDHOUIIDV-LBPRGKRZSA-N 207.317 2.071 0 40 BEAB COc1cccc(Nc2ncc(C)c(O)n2)c1 408982435 XWAZFIRQVGOSAC-UHFFFAOYSA-N 231.255 2.243 0 40 BEAB CCNC(=O)/C=C/c1ccccc1Cl 579399 APODBPXFRZHOSY-BQYQJAHWSA-N 209.676 2.489 0 40 BEAB Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1 967913 NLPRAJRHRHZCQQ-UTLUCORTSA-N 208.692 2.343 0 40 BEAB in-vitro C[C@H](NC(=O)c1cccnc1)c1ccc(O)cc1 1445998 PEHOGPOHBDJGKN-JTQLQIEISA-N 242.278 2.278 0 40 BEAB Cc1ccc(C(=O)NN2CCCCC2)cc1 1602511 DOHMWNBHZNXMOW-UHFFFAOYSA-N 218.300 2.126 0 40 BEAB COc1ccc([C@H]2CCC(=O)C[C@@H]2C(=O)O)cc1 1644696 HTPVKBOETCNMAK-OLZOCXBDSA-N 248.278 2.233 0 40 BEAB Cc1ccc(C(=O)CCC(=O)O)cc1F 2378690 UNPBUYAHDGXSID-UHFFFAOYSA-N 210.204 2.182 0 40 BEAB c1ccc(-c2cc[n+]3ccccc3n2)cc1 2556045 PDNNIHKVDKWZQS-UHFFFAOYSA-N 207.256 2.487 0 40 BEAB CN1CCC[C@H](CNC(=O)Nc2ccccc2)C1 9876653 SFBVGSDVKVREGX-GFCCVEGCSA-N 247.342 2.150 0 40 BEAB NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 12395429 XIHDIZKPEKLJTD-UHFFFAOYSA-N 241.216 2.350 0 40 BEAB in-vitro O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(F)cc1 12408889 OJKPJRQHFGDFJW-TXEJJXNPSA-N 245.253 2.281 0 40 BEAB Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 12851160 OXTLOGJRHJQASL-NSHDSACASA-N 234.299 2.248 0 40 BEAB Ic1ccc2cc[nH]c2n1 14984900 MQMMRWCGPSEGFA-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB CC12CN3CC(C)(CN(C1)C3c1ccncc1)C2 19331448 UHPMKINRRZZUNP-UHFFFAOYSA-N 243.354 2.128 0 40 BEAB biogenic C[C@@H]1CCCN(C(=O)Cc2cccc(N)c2)C1 20155030 NIOSJGPVNHXDJM-LLVKDONJSA-N 232.327 2.070 0 40 BEAB Cc1ncc(C(=O)O)c(NCc2ccccc2)n1 20385879 WVOULPIUGLVBCX-UHFFFAOYSA-N 243.266 2.095 0 40 BEAB C[C@@H](Oc1cccc(N)c1)C(=O)N1CCCCC1 20388202 UHBCDGWIZTWTTE-LLVKDONJSA-N 248.326 2.049 0 40 BEAB C[C@H](NC(=O)c1ccoc1)c1ccccn1 28783615 GGWHDDIWSOQNPD-VIFPVBQESA-N 216.240 2.166 0 40 BEAB C[C@H](C(=O)N1CCCC1)N1CCc2ccccc21 32652090 RJHPGMIJYRABOE-GFCCVEGCSA-N 244.338 2.060 0 40 BEAB C[C@@H](Oc1ccccc1F)C(=O)N1CCCC1 32958258 HLIIDRJZVLTBFW-SNVBAGLBSA-N 237.274 2.215 0 40 BEAB Clc1ccc(-c2ccc(Cl)nn2)nn1 33592572 PBGWILRUXNFSGL-UHFFFAOYSA-N 227.054 2.240 0 40 BEAB CCOC(=O)C(=O)c1ccc(Cl)s1 34300872 SAPAEGDTYVIFCE-UHFFFAOYSA-N 218.661 2.147 0 40 BEAB O=C(CC[C@H]1CCCNC1)N1CCCCCC1 36757346 ZYCBNXGIMKDWHW-CYBMUJFWSA-N 238.375 2.169 0 40 BEAB COc1cc([C@H](C)N)ccc1OCC(F)F 37755431 NZMHQACQVIRVTF-ZETCQYMHSA-N 231.242 2.359 0 40 BEAB COc1ccc(-c2ncc[nH]2)cc1OC 37974137 KCDNZLQKAOCNDY-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB Cc1ccc(C(=O)N(C)Cc2ccco2)o1 40160965 JZUGSOZJIOKYNU-UHFFFAOYSA-N 219.240 2.453 0 40 BEAB CC(C)C(=O)N(C)Cc1ccc2c(c1)OCCO2 40457541 WZGAAVNNAGDXAJ-UHFFFAOYSA-N 249.310 2.072 0 40 BEAB Cc1cc(Cl)cnc1NC(=O)C1CC1 41107532 YJLMVOITTXZODS-UHFFFAOYSA-N 210.664 2.392 0 40 BEAB CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 41173401 IFMUENAFBDIBOI-LBPRGKRZSA-N 239.702 2.260 0 40 BEAB O=C(O)/C=C/c1cc(F)cc(Cl)c1O 44214713 CPIJXHVAXGGOBP-OWOJBTEDSA-N 216.595 2.283 0 40 BEAB O=c1[nH]cccc1-c1nc(-c2cccs2)no1 45894012 WAQMIWVBDLGXQG-UHFFFAOYSA-N 245.263 2.153 0 40 BEAB CCN(c1cccc(C)c1)[C@@H](C)C(=O)O 58130167 HFYYOMNOOGZRQE-JTQLQIEISA-N 207.273 2.294 0 40 BEAB CCNC(=O)N[C@@H]1C[C@@H]1c1ccc(C)c(C)c1 58163630 PQLSWSQCWAVIJX-CHWSQXEVSA-N 232.327 2.478 0 40 BEAB c1ccc2sc(CN3CCOCC3)nc2c1 58874575 CJONNVIVNXRRPQ-UHFFFAOYSA-N 234.324 2.129 0 40 BEAB CCc1nc(CCNc2cccc(C)c2)n[nH]1 62719185 SEMZLIJSDHEHEL-UHFFFAOYSA-N 230.315 2.330 0 40 BEAB c1ccc2c(c1)OCC[C@]21CCCNC1 70063842 NUPRVCIVQLXKKK-ZDUSSCGKSA-N 203.285 2.090 0 40 BEAB O=c1[nH]ccc2cc(Br)sc12 71482389 QBRRKBBDPKCJFZ-UHFFFAOYSA-N 230.086 2.352 0 40 BEAB CN(CC(=O)Nc1cccnc1)C1CCCCC1 71794500 JNXPBELJSRVGST-UHFFFAOYSA-N 247.342 2.285 0 40 BEAB CN(C)C(=O)C[C@@H](c1ccccc1)[C@H]1CCCN1 72208321 GMIWDRXKQPCEEO-UONOGXRCSA-N 246.354 2.001 0 40 BEAB c1cc(-c2nnc(-c3ccoc3)o2)ccn1 75149059 ZAGSCSAIYZWBKL-UHFFFAOYSA-N 213.196 2.392 0 40 BEAB O=C(O)Cc1ccc(Cl)nc1Cl 75606920 WRLLMLKAICANMD-UHFFFAOYSA-N 206.028 2.016 0 40 BEAB CCCN(C)[C@@H](C)CNC(=O)OC(C)(C)C 84750239 SQHCSVSQYJFTDJ-JTQLQIEISA-N 230.352 2.241 0 40 BEAB COC[C@H](NC[C@H]1CCCS1)C(C)C 87668210 PTMINOOBNNPDIH-MNOVXSKESA-N 217.378 2.143 0 40 BEAB CN1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 89917910 WAKSRYDKPRPRLH-LBPRGKRZSA-N 240.391 2.016 0 40 BEAB CCOC(=O)/C=C\c1ccccc1C=O 91369083 YTQRPRCIESSITI-FPLPWBNLSA-N 204.225 2.075 0 40 BEAB COc1nnc(-c2ccccc2)cc1C 94993240 CWVWTDQVRHUWPR-UHFFFAOYSA-N 200.241 2.461 0 40 BEAB Cn1cc(NCCOc2ccc(F)cc2)cn1 95467448 YKINJNXDJMKCNP-UHFFFAOYSA-N 235.262 2.050 0 40 BEAB COc1c(C(=O)O)oc2ccc(C)cc12 96515780 MRUAHGSKFKXPNI-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB Cc1cc(C(=O)NCC(C)(C)O)ccc1Cl 97227767 AEAQBSJEAIHBGN-UHFFFAOYSA-N 241.718 2.149 0 40 BEAB Cc1ccnc(NC(=O)Nc2c(C)n[nH]c2C)c1 97372756 OYDMNCCXULIFRD-UHFFFAOYSA-N 245.286 2.374 0 40 BEAB Cc1cc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)[nH]n1 100228112 DTWHVABTAVGVOX-IJLUTSLNSA-N 247.342 2.161 0 40 BEAB c1ccc(CNc2cnc3nccn3c2)cc1 149657304 MVVFLWMNUDKHOV-UHFFFAOYSA-N 224.267 2.341 0 40 BEAB O=S(=O)(c1ccccc1)N1[C@H]2C=CC[C@H]1CC2 208027889 WAHMKAAHDZUTMO-RYUDHWBXSA-N 249.335 2.168 0 40 BEAB C/C=C/CN1C(=O)CCc2cc(O)ccc21 218780899 AVJWNVDYMQGYLK-NSCUHMNNSA-N 217.268 2.248 0 40 BEAB C[C@]1(CCC(=O)O)[C@H]2CC[C@]1(C)[C@H](O)C2 242547873 KXIHOSNFVBVESP-BSJXLVFVSA-N 212.289 2.038 0 40 BEAB C[C@H](CC(=O)c1ccccc1)NC(=O)[C@H]1C[C@H]1C 248163303 MYYFCSUERNVDTI-WZRBSPASSA-N 245.322 2.420 0 40 BEAB COc1cc(C(=O)C(F)F)ccc1F 306393212 DLINSYMNVNQKID-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1 304570 VLHMUTDVVYTQDE-UHFFFAOYSA-N 240.111 2.365 0 40 BEAB CC(C)c1ccccc1NS(C)(=O)=O 383519 CASJONQAGVAUOZ-UHFFFAOYSA-N 213.302 2.182 0 40 BEAB NC(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 406673 XUAFMVHJOMIVRA-UHFFFAOYSA-N 248.069 2.194 0 40 BEAB biogenic COc1ccc(-c2cnc3n2CCOC3)cc1 1509483 DEDRXIOOTMQEKL-UHFFFAOYSA-N 230.267 2.089 0 40 BEAB CCOc1ccccc1C(=O)N1CCCC1 1597440 BFTNVMYODJKDCG-UHFFFAOYSA-N 219.284 2.321 0 40 BEAB c1cn(-c2ccc(-c3csnn3)cc2)cn1 4002488 QDXHANXUOOBFBZ-UHFFFAOYSA-N 228.280 2.391 0 40 BEAB CCCNC(=S)Nc1ccc(C)cn1 7143557 IUINSWSEOXMMSD-UHFFFAOYSA-N 209.318 2.086 0 40 BEAB CCCSc1ncc(/C=C/C(=O)O)cn1 8730877 ZBORQLOCTCWJKD-ONEGZZNKSA-N 224.285 2.077 0 40 BEAB CC(C)CNC(=O)c1cc(Cl)ccn1 12983956 ZJDYIUXKACSGPO-UHFFFAOYSA-N 212.680 2.121 0 40 BEAB O=C(O)COc1cc2ccccc2cc1C(=O)O 13317815 RTQQJRWQRMTKOZ-UHFFFAOYSA-N 246.218 2.001 0 40 BEAB CC[C@@H](NN)c1ccc(Br)cc1 19401500 UKECYAZFTMCOQF-SECBINFHSA-N 229.121 2.364 0 40 BEAB Fc1ccccc1OC[C@@H]1CCCCN1 19435520 YAOXZZZMKNJJAF-JTQLQIEISA-N 209.264 2.347 0 40 BEAB COC(=O)CN[C@H](C)c1cc(C)sc1C 20086463 DRNNCTWUXGVOFA-MRVPVSSYSA-N 227.329 2.189 0 40 BEAB Clc1ccc(-c2[nH]nc3c2CNCC3)cc1 20221833 IKIYYMZYRARVEU-UHFFFAOYSA-N 233.702 2.376 0 40 BEAB Cc1nonc1NC(=O)c1cccc(Cl)c1 27662824 RJALSDSCZDCKMW-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB CC[C@H]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1 31681035 XMNTWIUGQZPVQG-NSHDSACASA-N 248.326 2.480 0 40 BEAB C[C@@H](N(C)c1ncnc2c1cnn2C)C(C)(C)C 32779347 AJZXKNDERCPEPH-SECBINFHSA-N 247.346 2.234 0 40 BEAB CCc1ccc(CN2CCC[C@@H]2C(=O)O)cc1 33584175 PPSPYSDGPOYGED-CYBMUJFWSA-N 233.311 2.298 0 40 BEAB Cc1cc(C)c(CNCC(=O)NC(C)C)c(C)c1 35136088 FJMHZRYUGICVLB-UHFFFAOYSA-N 248.370 2.226 0 40 BEAB O=C(CCc1cccs1)Nc1cn[nH]c1 35237671 HNAMFHORGGYSJP-UHFFFAOYSA-N 221.285 2.043 0 40 BEAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)O 37373854 TWBGRXXJTOHCNT-GUBZILKMSA-N 200.278 2.445 0 40 BEAB in-vitro CN[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425042 QPAPLUQWHCZODB-QMMMGPOBSA-N 234.082 2.339 0 40 BEAB COC(=O)[C@@](C)(N)c1ccc(Cl)c(Cl)c1 37459718 BYWKSTSGBJNLMJ-JTQLQIEISA-N 248.109 2.340 0 40 BEAB biogenic,in-vitro O[C@@H](Cc1ccc(Cl)cc1)[C@@H]1CCCNC1 41282874 WVLIQDBZEYQRSY-YPMHNXCESA-N 239.746 2.243 0 40 BEAB Cc1cc(C)cc(OC[C@H]2CCNC2)c1 42772857 RNVIUUNSGACBGM-LBPRGKRZSA-N 205.301 2.292 0 40 BEAB CCCNC(=O)NCCCN(C)c1ccccc1 43467840 KIGBKZIFIMEIFM-UHFFFAOYSA-N 249.358 2.222 0 40 BEAB Cc1ccc(C(=O)N2CCCC[C@@H]2CN)c(C)c1 44541208 BZTVLYHEMXCOLS-CYBMUJFWSA-N 246.354 2.257 0 40 BEAB O=Cc1cnc2[nH]cc(Br)c2c1 44712786 BZWXYBMHEIUGSF-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Cc1cccc(CN2CCC(CO)CC2)c1 46090806 VUZBVUBHWVRIDI-UHFFFAOYSA-N 219.328 2.199 0 40 BEAB Cc1c([C@H](C)NC(=O)CCC(C)C)cnn1C 47492075 UPOCFTNBFDOIAR-JTQLQIEISA-N 237.347 2.342 0 40 BEAB NCc1cc(-c2cccc(Cl)c2)[nH]n1 50478887 CRBVYYGJGKGVFE-UHFFFAOYSA-N 207.664 2.189 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 58264747 KMEOZQHYWHCJLU-PWSUYJOCSA-N 245.326 2.276 0 40 BEAB COCCN1C[C@@H](c2ccccc2)OCC1(C)C 65613066 NCDQYYCDUPJCLR-AWEZNQCLSA-N 249.354 2.485 0 40 BEAB COc1ccc(C(=O)N2CCCCC2)cc1F 70243050 BIFCNOXAUWMXKL-UHFFFAOYSA-N 237.274 2.460 0 40 BEAB CC[C@@](C)(CO)NCc1cccc(F)c1F 70710336 MIPQPNVWFWOLHT-LBPRGKRZSA-N 229.270 2.215 0 40 BEAB CCOC[C@H](O)CN(C1CCCCC1)C1CC1 71904850 IJDDHXXWYGHNSI-CQSZACIVSA-N 241.375 2.181 0 40 BEAB COc1ccc(-c2ccc(C(=O)O)o2)c(N)c1 73640294 FUDZIMYTDXDDLD-UHFFFAOYSA-N 233.223 2.236 0 40 BEAB COC(=O)Cc1c[nH]c2cccc(C)c12 76487318 WRQKBVCSUVVYGU-UHFFFAOYSA-N 203.241 2.192 0 40 BEAB Brc1ccnc([C@H]2CCCN2)c1 83323805 QJDZPJKDJXHTBP-MRVPVSSYSA-N 227.105 2.269 0 40 BEAB NCc1cnc(C(F)(F)F)c(Cl)c1 95768349 WBGPOGOWYZPGOX-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB CN(C)c1ccccc1N(C)Cc1ccon1 95977671 MBIWUDQEAJENTM-UHFFFAOYSA-N 231.299 2.377 0 40 BEAB CCc1[nH]nc(NC(=O)CCCCOC)c1C 96462541 TWTDUBMRHLHZDS-UHFFFAOYSA-N 239.319 2.036 0 40 BEAB CCCNCc1cnn(CC2CC(C)C2)c1 96509098 OWMKNLUVGQMYJZ-UHFFFAOYSA-N 221.348 2.429 0 40 BEAB CCc1cc(C(=O)Nc2cnccn2)oc1CC 97379863 DQYWWAQWRHZEMP-UHFFFAOYSA-N 245.282 2.447 0 40 BEAB Cc1nc2c(n1C[C@@H]1CCOC1)CCCC2 160730234 JQLXKAYIMDAUCZ-NSHDSACASA-N 220.316 2.107 0 40 BEAB CCC(CC)(CC)SCCC(=O)NC(N)=O 191935033 PZQYPIYEMAVKSZ-UHFFFAOYSA-N 246.376 2.273 0 40 BEAB CC(C)CO[C@H](Cc1ccccc1F)C(=O)O 220776442 HEVXXEPEWZGMHF-GFCCVEGCSA-N 240.274 2.494 0 40 BEAB c1cc(-c2ccc(CC3CCNCC3)cn2)n[nH]1 257293184 QOLSDGFQLKNXAZ-UHFFFAOYSA-N 242.326 2.014 0 40 BEAB FC[C@@H]1CCN(c2cnc3ccccc3n2)C1 407947272 AABFOGZWYGVPSQ-JTQLQIEISA-N 231.274 2.426 0 40 BEAB CN(C)C[C]1CCCC[C@@]1(O)c1cccc(O)c1 1560407655 ZBVZSOGEZOQBGZ-OAHLLOKOSA-N 248.346 2.290 0 40 BEAB CCOc1cc[n+](C)c2ccc(C)cc12 1733145 XGHCXISAWSYAJJ-UHFFFAOYSA-N 202.277 2.371 0 40 BEAB Cc1nn(CSCCC(=O)O)c(C)c1Cl 2537828 QNOWCFNWQYFYPB-UHFFFAOYSA-N 248.735 2.319 0 40 BEAB CC(=O)Nc1nnc(C2CCCC2)s1 4560283 PJCIOENQMXYBEP-UHFFFAOYSA-N 211.290 2.154 0 40 BEAB Nc1ccccc1C(=O)c1ccccc1N 5162233 GSEZYWGNEACOIW-UHFFFAOYSA-N 212.252 2.082 0 40 BEAB CNC(=S)N[C@@H](C)CCc1ccccc1 6332532 SXCBXLSRDQKQFW-JTQLQIEISA-N 222.357 2.102 0 40 BEAB CN(C)C1=CC(=S)N[C@@H](c2ccccc2)C1 6371907 RQAUPAJSEMWJCZ-GFCCVEGCSA-N 232.352 2.494 0 40 BEAB CNc1ncnc2sc3c(c12)CCC3 8147690 ZHBZHOXONRZJDA-UHFFFAOYSA-N 205.286 2.222 0 40 BEAB CCOCC(=O)N1c2ccccc2C[C@H]1C 9095484 FHMYYYAGGYHQER-SNVBAGLBSA-N 219.284 2.001 0 40 BEAB Cc1cccc2c(C[C@@H](C)N)cn(C)c12 9423284 KKCUXUGDMDZXIK-SNVBAGLBSA-N 202.301 2.376 0 40 BEAB CN(Cc1cccnc1)C(=O)c1cccc(F)c1 12545092 TXFJNQMKNMLBTE-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB CCONC(=O)c1ccc2[nH]c(C)c(C)c2c1 12736427 NUONQGBDEYTFPC-UHFFFAOYSA-N 232.283 2.466 0 40 BEAB Cc1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 17975723 QLFMLNSQOPZXGE-TXEJJXNPSA-N 241.290 2.451 0 40 BEAB CCn1nccc1CNCc1cccs1 20351291 MEBJBAFCOVKSPB-UHFFFAOYSA-N 221.329 2.254 0 40 BEAB CCn1cc(NCc2ccccc2)c(C(=O)O)n1 20354135 BVJHUMGDMWDJSY-UHFFFAOYSA-N 245.282 2.213 0 40 BEAB CCC(=O)Nc1ccc(N(CC)CC)nc1 20360217 JPYAXOHPYAGQFV-UHFFFAOYSA-N 221.304 2.276 0 40 BEAB CCN(CC)[C@@H](C)[C@@H](O)c1ccccc1 22057381 JMFCQRKXGIHOAN-WCQYABFASA-N 207.317 2.450 0 40 BEAB in-vitro CCOc1ccc([C@H](CN)N2CCCC2)cc1 32522368 IHSRNHAQSLSZON-AWEZNQCLSA-N 234.343 2.181 0 40 BEAB COc1ccc(C(=O)[C@H]2CCCNC2)cc1F 35424069 MKZQLWACCSHDKQ-JTQLQIEISA-N 237.274 2.017 0 40 BEAB Fc1cccc(-c2noc(C3CCNCC3)n2)c1 35660520 DJKHUMOETDUOMS-UHFFFAOYSA-N 247.273 2.343 0 40 BEAB O=C(N1CCCC1)C1(c2ccccc2)CC1 41501263 ROYIWLBHKRZKKJ-UHFFFAOYSA-N 215.296 2.341 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 44575025 RKDGWGVZONGCQA-LDYMZIIASA-N 243.266 2.331 0 40 BEAB O=C(O)CCn1ncc2c(Cl)cccc21 45921229 GXFYNPYEMVCABE-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB NCc1cc(Oc2ccc(F)cc2)ccn1 51548126 WAVQNEDVXFVTBV-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro Cc1cc(C)cc(OCCNC(=O)C(C)C)c1 55526311 DCPWRNHVQCQHDN-UHFFFAOYSA-N 235.327 2.454 0 40 BEAB CCCOc1ccc2nc(NN)sc2c1 62203249 DUVCEJGPMCMUML-UHFFFAOYSA-N 223.301 2.371 0 40 BEAB Cc1nnc2ccc(NC[C@@H]3CC=CCC3)nn12 68692808 ADYWHHVBNCSJHD-LLVKDONJSA-N 243.314 2.201 0 40 BEAB CCOC(=O)c1ncsc1Nc1cccnc1 71201675 ZOZGEXLXGABQPK-UHFFFAOYSA-N 249.295 2.458 0 40 BEAB OCC[C@H]1CCCN([C@@H]2C=CCCC2)C1 71904900 SSPBMNXIYBHLLL-CHWSQXEVSA-N 209.333 2.190 0 40 BEAB CCC(=O)c1ccc(N2CCCC2)nc1 72225426 DUBORTZGCDCAJE-UHFFFAOYSA-N 204.273 2.275 0 40 BEAB Fc1ccc(Cn2cncn2)c2ncccc12 74284900 GBZXGHIIYQFCCJ-UHFFFAOYSA-N 228.230 2.014 0 40 BEAB CC1CCN(c2cc(C3CC3)nc(N)n2)CC1 78404608 JWWJZGSHLVOVFE-UHFFFAOYSA-N 232.331 2.173 0 40 BEAB OC1CCC(Nc2cccc(Cl)n2)CC1 82460850 HMTPHHCWRAYAOL-UHFFFAOYSA-N 226.707 2.450 0 40 BEAB CC(C)(C)C(=O)NOCc1cnc(Cl)s1 95444805 DSYWKYCSVFTXMI-UHFFFAOYSA-N 248.735 2.390 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(-c2cccc(F)c2)n1 95534789 XUFLMQFHJHQEFO-SNVBAGLBSA-N 234.278 2.267 0 40 BEAB Cc1cc(C)cc(C(=O)/C=C\C(=O)O)c1 95727056 JUFJTDGLJPYCDH-ARJAWSKDSA-N 204.225 2.127 0 40 BEAB Cc1ccc(NC[C@@H](O)Cc2ccccc2)nc1 96429416 MURRIEJTTNHJLO-AWEZNQCLSA-N 242.322 2.406 0 40 BEAB CC(C)(C)C[C@@H](O)C1(CO)CCCC1 96527341 SRUWBBPQBOFGBS-SNVBAGLBSA-N 200.322 2.336 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1n[nH]c(C2CCC2)n1 97376632 KUTCZUFNEXPHKK-VIFPVBQESA-N 246.314 2.367 0 40 BEAB Cc1cscc1C(=O)Nc1cnccn1 97379880 SUSXVNWPVZAQEB-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC(=N)N)C2=O 100928183 JVXRHLUWSSCLBB-QXHCQDJKSA-N 226.345 2.007 0 40 BEAB CCc1cnn(-c2ccc(F)cc2)c1N 220097561 GZWHSABPNIKUBA-UHFFFAOYSA-N 205.236 2.156 0 40 BEAB CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 222973841 LTDZZUZBAZFMPU-JTQLQIEISA-N 233.311 2.079 0 40 BEAB CCCn1cc(CNc2cn(CC)nc2C)cn1 256050604 FSDXAGSZGUQVSA-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB Cc1cc(=O)c2c(o1)C1(CCCC1)CC(=O)O2 1547139047 BUKGYVLXKDEPNL-UHFFFAOYSA-N 234.251 2.069 0 40 BEAB biogenic Nc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 2173538 CUQQZSRDQFQARK-UHFFFAOYSA-N 247.275 2.207 0 40 BEAB CCN1CCSc2sccc2C1=O 4013696 CCTGONYYLHRNRB-UHFFFAOYSA-N 213.327 2.316 0 40 BEAB CCOC(=O)C(CC=C(C)C)C(=O)OCC 5650504 UXBLYMUHQJDAFO-UHFFFAOYSA-N 228.288 2.085 0 40 BEAB CCOC(=O)CCc1c(C)nn(CC)c1C 9305313 LHRFBVYTMCLLEO-UHFFFAOYSA-N 224.304 2.016 0 40 BEAB CSc1nnc(-c2ccccc2NC(C)=O)o1 10434358 ZGFVAXVFKPMFME-UHFFFAOYSA-N 249.295 2.417 0 40 BEAB CC(C)NC[C@H](O)c1ccc(Cl)cc1 12359688 ODPACOSFGOJIQY-NSHDSACASA-N 213.708 2.371 0 40 BEAB in-vitro CCS[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 19765555 UYIBMQXMKYEWFA-NSHDSACASA-N 249.335 2.380 0 40 BEAB COCCNCc1c(C)cc(C)cc1C 19881132 NFXFRXBIGDNXHJ-UHFFFAOYSA-N 207.317 2.348 0 40 BEAB O=C(CNC1CCCC1)Nc1cccc(F)c1 20037070 OZDINFOQIQOMKW-UHFFFAOYSA-N 236.290 2.296 0 40 BEAB Nc1ccc(O)c(-c2nc3cnccc3o2)c1 20158665 DYLNWJYMBSJXEG-UHFFFAOYSA-N 227.223 2.178 0 40 BEAB CC[C@@H](c1ccccc1)N1CCNCC1 20264317 JMCIDTWYFZBDNL-ZDUSSCGKSA-N 204.317 2.043 0 40 BEAB in-vitro Cc1ccc(F)c(N2CCC(N)CC2)c1 20471967 PLMLRRSZHHVSGX-UHFFFAOYSA-N 208.280 2.062 0 40 BEAB in-vitro COc1ccc(NC(=O)c2cncs2)cc1 22073162 VAYXCQXUADRBIY-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB CC(C)NC(=O)CN(C)[C@H]1CCc2ccccc21 29810652 KECXMRHOQPQATE-AWEZNQCLSA-N 246.354 2.130 0 40 BEAB CCCOc1ccc(-c2nc(N)no2)cc1 32622831 XHBFOETYBSRVFA-UHFFFAOYSA-N 219.244 2.108 0 40 BEAB O=C1N=C2C=CC=CN2/C1=C\c1ccccc1 33742424 XCINZXBTHCXLPW-BENRWUELSA-N 222.247 2.352 0 40 BEAB O[C@H]1CC=C[C@H]1COCc1ccccc1 34206534 WACMQXMZXZTKIV-STQMWFEESA-N 204.269 2.140 0 40 BEAB C[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 39042979 LGJNBRYQEIZFMK-DGCLKSJQSA-N 249.310 2.168 0 40 BEAB c1cnc(N2CCc3ccccc3C2)nc1 39265539 AHUKBYQRKVDPDF-UHFFFAOYSA-N 211.268 2.039 0 40 BEAB C[C@H]1CN(Cc2ccc(F)cc2)CCO1 40479463 ZQMFYXFYNGZBDL-JTQLQIEISA-N 209.264 2.046 0 40 BEAB Cc1ncsc1C(=O)NCCc1ccccc1 40529111 UBCZTFJCVBXOJM-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB O=C(NCC1(O)CCCC1)Nc1cccs1 42382746 YJPQECZJNWMLIB-UHFFFAOYSA-N 240.328 2.175 0 40 BEAB Clc1cccc(NC[C@H]2CCCO2)n1 42783998 KYIJOIUDNHQPIL-MRVPVSSYSA-N 212.680 2.326 0 40 BEAB Cc1cc(C)cc(Nc2nc(C)cc(NN)n2)c1 44845950 SNLWEBQDAUOOQB-UHFFFAOYSA-N 243.314 2.431 0 40 BEAB CN(C(=O)c1cn2ccccc2n1)C1CCCC1 48708870 WYVSCXPNDBUUAY-UHFFFAOYSA-N 243.310 2.349 0 40 BEAB CC(C)[C@H](N)CCN1CCc2ccccc2C1 58058354 HLZSQODFLMPYFM-OAHLLOKOSA-N 232.371 2.418 0 40 BEAB CCc1nc2ccccc2cc1C(=O)O 58548754 VTRUZSBNPFFWIO-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB COc1ccccc1[C@H]1CCCN1C(C)=O 68814480 DGDYNAFMGIRUOS-GFCCVEGCSA-N 219.284 2.379 0 40 BEAB COCCSc1nc(-c2cccs2)n[nH]1 71858773 QEUNYLZJEOVYGW-UHFFFAOYSA-N 241.341 2.272 0 40 BEAB O=C(O)c1cn[nH]c1Cc1ccc(Cl)cc1 71980903 LGIUKEWOMBHYQP-UHFFFAOYSA-N 236.658 2.352 0 40 BEAB CNCc1cnc(NC(C)(C)C)c(C)c1 72222939 VNKVJAJMRSEILD-UHFFFAOYSA-N 207.321 2.320 0 40 BEAB CC(C)N1CCC(c2cncn2C)CC1 72356947 MHOYXKIMVZUUOM-UHFFFAOYSA-N 207.321 2.008 0 40 BEAB Cn1nc(-c2cccs2)cc1C(=O)NC1CC1 72405423 ALWSTCIQOZBZHK-UHFFFAOYSA-N 247.323 2.041 0 40 BEAB CC(=O)N[C@@H]1CCCC[C@@H]1OCCC(C)C 89336447 ZIVSWQWCHSQXEC-OLZOCXBDSA-N 227.348 2.496 0 40 BEAB Cc1cc(N[C@@H](C)CO)nc2ccccc12 89600772 RUJXIYLYASMXCR-JTQLQIEISA-N 216.284 2.336 0 40 BEAB Cc1ccc(NC(=O)c2ccc[nH]2)cc1C(=O)O 95389601 IHXXQKMEGBPWSR-UHFFFAOYSA-N 244.250 2.274 0 40 BEAB C[C@@H](CCO)CNC(=O)CC1(C)CCCCC1 95435531 VZIMZNSMGPQRFM-LBPRGKRZSA-N 241.375 2.482 0 40 BEAB Cn1c(C(=O)c2ccccn2)nc2ccccc21 95635243 GLESJZXZYZLPMF-UHFFFAOYSA-N 237.262 2.199 0 40 BEAB in-vitro CC/C=C(\C)C(=O)NCc1ccc(C)n1C 96405878 DGJUTURKLSDXPX-UXBLZVDNSA-N 220.316 2.306 0 40 BEAB O=C(OC[C@@H]1CCOC1)C1=CCCCCC1 97164076 AWIFFHQGTHSVDO-LLVKDONJSA-N 224.300 2.457 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1C[C@]12CCCOC2 98213870 QFLHGDYACTVNSW-CABZTGNLSA-N 227.304 2.080 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C1[C@H]2CNC[C@H]12 100139401 LWULXJSEMSUKBR-KDBYPZKRSA-N 237.387 2.275 0 40 BEAB Cc1cc([C@H]2CNC(=O)C2)ccc1Cl 199779647 SZPUGSDFQFLELE-SECBINFHSA-N 209.676 2.252 0 40 BEAB Cc1ccc(C)c(OCCNC(=O)C2CC2)c1 224050495 QENPRHJZRUTDIV-UHFFFAOYSA-N 233.311 2.208 0 40 BEAB CC(=O)c1cnn(-c2cnccc2Cl)c1C 252496795 PRWDFCKMFYQTET-UHFFFAOYSA-N 235.674 2.432 0 40 BEAB c1cncc(-c2cccc(C3CNC3)c2)c1 385534874 CVCLBFNQGWZOGM-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB CC[C@@H](C)OCc1ccn(CC(F)F)n1 408715494 SVCVSBHVPUMDOH-MRVPVSSYSA-N 218.247 2.463 0 40 BEAB CO[C@@H]1CC[C@H](CO)C[C@H]1C(C)(C)C 613825546 PVCBBUOUYOKAAS-HBNTYKKESA-N 200.322 2.456 0 40 BEAB Cc1nc2c(c(NCC(F)(F)F)n1)CCC2 1153644382 LXCICSPWAAAUJG-UHFFFAOYSA-N 231.221 2.248 0 40 BEAB CCCCCC[C@H](O)[C@H](C)CC(=O)NC 1857787642 YNOBDTRTSUIOMS-MNOVXSKESA-N 215.337 2.090 0 40 BEAB Cc1csc2nc3c(cnn3C)c(=S)n12 1643598 ZQUUVSRWNBLTCP-UHFFFAOYSA-N 236.325 2.320 0 40 BEAB COC(=O)CCc1nc2ccccc2s1 2455579 IUEHZBATGFUWOB-UHFFFAOYSA-N 221.281 2.402 0 40 BEAB C=CC(=O)OCCOCCCCCC 2571964 IGRIPYOESCVPCX-UHFFFAOYSA-N 200.278 2.313 0 40 BEAB C1CCN(CCSC2=NCCS2)CC1 3160707 HIYJVJQNGSGWJP-UHFFFAOYSA-N 230.402 2.308 0 40 BEAB COc1ccccc1CN1CCCC[C@@H]1C(=O)O 3754749 QGAXUFYVQFXXON-GFCCVEGCSA-N 249.310 2.134 0 40 BEAB O=C1c2ccccc2-c2nc3cccnc3nc21 4710802 ZFOFLJOFJPTAMR-UHFFFAOYSA-N 233.230 2.236 0 40 BEAB CCCCC[C@@H](C)NC(=O)CCCC(=O)O 4784106 MOXYXJVRZZUCFY-SNVBAGLBSA-N 229.320 2.326 0 40 BEAB CCCNC(=O)c1ccc(OCC)c(OC)c1 6636199 YZTQJRHTNRXQPO-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB COc1cccc(-c2noc(C)c2C(=O)O)c1 11627976 RLQZALMOGQHUFN-UHFFFAOYSA-N 233.223 2.357 0 40 BEAB C[C@H](CN)Oc1cccc(Br)c1 11946609 ZJNXPQUJTAXHPG-SSDOTTSWSA-N 230.105 2.175 0 40 BEAB in-vitro Cc1ccc(C(=O)N2CCCN(C)CC2)cc1C 13322807 REKHSKQGXMGGNI-UHFFFAOYSA-N 246.354 2.081 0 40 BEAB COc1cccc(OC[C@@H]2CCCCN2)c1 14632439 CWWOJRISFKPSPY-NSHDSACASA-N 221.300 2.216 0 40 BEAB in-vitro c1ncc(-c2ccc(C3CCNCC3)nc2)cn1 19695387 RYPIJYRGBZOSSK-UHFFFAOYSA-N 240.310 2.006 0 40 BEAB COc1ccc(-c2ccc(N)cc2)cn1 21987483 IKOVYXIZFGSIPF-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB Fc1ccc(OC[C@@H]2CCCN2)cc1F 26381054 DNKSRXIDAZGCDB-QMMMGPOBSA-N 213.227 2.096 0 40 BEAB COC(=O)c1cc2cnn(C(C)C)c2nc1C 32860356 WROHEKVTEQWMQW-UHFFFAOYSA-N 233.271 2.107 0 40 BEAB O=C(C1CC1)N1CCC[C@H]1c1ccncc1 32902255 ROHNVXNOPNKUBA-LBPRGKRZSA-N 216.284 2.155 0 40 BEAB COC(=O)[C@H](C)CNCc1ccccc1Cl 35133561 CMAHLTYYUYEYLO-SECBINFHSA-N 241.718 2.239 0 40 BEAB Clc1ccc([C@@H]2CNCCO2)s1 35286457 RGQVPNCDNZFEMX-LURJTMIESA-N 203.694 2.062 0 40 BEAB CCOC(=O)CCNC1CCCCCC1 36667834 VMADHJWOTARVIJ-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB CC(C)[C@H]1COC(c2ccccc2O)=N1 38972217 NHCHOCDSGYNNIS-SNVBAGLBSA-N 205.257 2.194 0 40 BEAB CNc1ccccc1C(=O)C(F)(F)F 39055289 OCBFFMSUNUNWSK-UHFFFAOYSA-N 203.163 2.473 0 40 BEAB in-vitro CCCN(Cc1ccsc1)C(=O)COC 44447050 XVTGYEKXKVLOKZ-UHFFFAOYSA-N 227.329 2.133 0 40 BEAB C[C@H](c1nc(C2CC2)no1)N1CCCC1 44974232 PYUPBRSOQFXKMS-MRVPVSSYSA-N 207.277 2.104 0 40 BEAB CC(C)CSCCC(=O)N1CCSCC1 49215655 NRPUATMIDCCFJN-UHFFFAOYSA-N 247.429 2.341 0 40 BEAB NCCCn1cc(-c2ccccc2F)cn1 49817080 LUJGYRNDMSYLKN-UHFFFAOYSA-N 219.263 2.038 0 40 BEAB CC(C)(C)c1ccc(-n2cc(CO)nn2)cc1 52221248 SDOVKFJBTZHUEG-UHFFFAOYSA-N 231.299 2.057 0 40 BEAB CN(Cc1cccnc1Cl)C[C@@H]1CCCO1 52709433 QQDDZNARCAPBIG-NSHDSACASA-N 240.734 2.346 0 40 BEAB N[C@]1(C(=O)O)C[C@@H]1c1cccc(Cl)c1Cl 62713039 YNZPPWVXHZCNLB-LHLIQPBNSA-N 246.093 2.263 0 40 BEAB COc1ccc([C@H]2[C@H](CN)CCCN2C)cc1 68592365 KCCPEDRPGGXQRU-JSGCOSHPSA-N 234.343 2.037 0 40 BEAB in-vitro CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 69553829 MWOMAVYZRMNVDD-DTWKUNHWSA-N 245.319 2.401 0 40 BEAB O=c1ccc2cc(F)cc(Br)c2[nH]1 70054948 YLOMYPZEHVUMGS-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB Cc1sc(C(=O)O)nc1C(F)(F)F 74150648 WKOZROOWNUINTM-UHFFFAOYSA-N 211.164 2.169 0 40 BEAB CCCCNC(=O)c1ccc2c(c1)nc(C)n2C 74957281 ORZPVJDWQLGWGK-UHFFFAOYSA-N 245.326 2.412 0 40 BEAB Cc1cc(C(=O)NCc2cc(C(C)C)no2)on1 78725763 SQJUVOFMZMAFNS-UHFFFAOYSA-N 249.270 2.024 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1O 95942557 SYCPWHUVXAZZPW-NXEZZACHSA-N 229.320 2.157 0 40 BEAB in-vitro CCC[C@@H](C(=O)N1CC[C@H](CCO)C1)C(C)C 95979545 IBKNEGULTHTECG-CHWSQXEVSA-N 241.375 2.290 0 40 BEAB Cn1cnc2nc(C3CCC3)nc(Cl)c21 96529502 PMFFLGINGBIHHU-UHFFFAOYSA-N 222.679 2.284 0 40 BEAB CCSCCN1C(=O)C[C@](C)(C(C)C)C1=O 97046849 WDZRXZFXGQBROW-GFCCVEGCSA-N 243.372 2.161 0 40 BEAB Cc1nc(SCCC2OCCO2)oc1C 97094752 SKHPZFSDQYNMBV-UHFFFAOYSA-N 229.301 2.147 0 40 BEAB O=C(O)[C@@H]1CCCN[C@@H]1C1CCCCC1 107470334 CBOZOKCIVVNMIY-GHMZBOCLSA-N 211.305 2.020 0 40 BEAB CCOc1ccccc1N[C@H]1CCC[C@H]1N 218878959 BQLSHFWMMQZGTA-MNOVXSKESA-N 220.316 2.377 0 40 BEAB C[C@H](C(=O)O)N(C)c1cccc(Cl)c1 224988055 RBYNTQXIUQYENM-SSDOTTSWSA-N 213.664 2.249 0 40 BEAB C[C@@H](O)c1cccc(C2CCNCC2)c1 258157395 PFQJCTXIBPNITG-SNVBAGLBSA-N 205.301 2.207 0 40 BEAB CC[C@H](C1CCCCC1)N1C(=O)N[C@H](C)C1=O 679137948 VWKVZYALGXTREZ-MWLCHTKSSA-N 238.331 2.286 0 40 BEAB CCc1c(C)[nH]c2cc(OC)ccc2c1=O 685938413 LVRVTRFCYFVSOA-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB CC1(C)CC(O)CC(C)(C)C1CCO 1569985915 PISQKUUGLNKFKD-UHFFFAOYSA-N 200.322 2.192 0 40 BEAB COC(=O)[C@@H]1CC(=O)CC[C@@H]1c1ccccc1 1630448 AXOQDYGCCCXXHG-CHWSQXEVSA-N 232.279 2.312 0 40 BEAB CCCC[C@]1(CC)S[C@H](CC)C(=O)NC1=O 1751837 XTKVQQVNYFVKHI-SKDRFNHKSA-N 243.372 2.494 0 40 BEAB Clc1ccc(Cl)c(-c2nnn[nH]2)c1 2389394 KRNRGRZDMYSIHS-UHFFFAOYSA-N 215.043 2.174 0 40 BEAB COc1ccc2c(CN(C)C)c[nH]c2c1 2572400 MGXIQKFKOYJROW-UHFFFAOYSA-N 204.273 2.238 0 40 BEAB in-vitro COP(=O)(OC)[C@@](C)(O)c1ccccc1 3046244 SGZOBSIMKNHYPM-SNVBAGLBSA-N 230.200 2.338 0 40 BEAB CCCCCNCC(=O)N1CCc2ccccc21 3328011 KGYJZNBGAAAZGR-UHFFFAOYSA-N 246.354 2.356 0 40 BEAB CC(C)C1=NN(c2ccccc2)C(=O)C1 10157330 WGLILDVDMWWTCA-UHFFFAOYSA-N 202.257 2.435 0 40 BEAB in-vitro CC[C@@H](C)NCc1ccc(C(=O)O)cc1 10474943 JWFHVZIMTOCWHA-SECBINFHSA-N 207.273 2.273 0 40 BEAB O=C(O)c1cnn(Cc2ccc(Cl)cc2)c1 12357809 IKIIMRKHGIWFEP-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CCCCNC(=O)c1n[nH]c2ccccc12 12519514 DDWMEFWCWPYCGX-UHFFFAOYSA-N 217.272 2.093 0 40 BEAB CC(C)[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)O 13942057 RAQMKACVSPTXNB-HBNTYKKESA-N 241.331 2.038 0 40 BEAB CC(C)NC(=S)Nc1ccnc(Cl)c1 16575464 UQRTWZQRGKIKBG-UHFFFAOYSA-N 229.736 2.430 0 40 BEAB OC1[C@H]2[C@@H](C(O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]13)[C@H]1CC[C@@H]2C1 17059397 ZLLCWMLUVPYBOZ-LPXXASKSSA-N 248.366 2.046 0 40 BEAB c1ccc(CCOC[C@H]2CCCNC2)cc1 19735445 TYBVHCFOPINRQG-AWEZNQCLSA-N 219.328 2.245 0 40 BEAB CCN(CC)C[C@@H](N)c1ccc(C)cc1 19821190 SNVZAIYZNMGLPC-CYBMUJFWSA-N 206.333 2.337 0 40 BEAB C[C@H](N)c1cc(F)ccc1-n1cccn1 19872813 MPBWZLSWKVZFCU-QMMMGPOBSA-N 205.236 2.031 0 40 BEAB in-vitro c1ccc(CNCCCN2CCCCC2)nc1 20128855 GSORIQZEYJWZLY-UHFFFAOYSA-N 233.359 2.047 0 40 BEAB CCC(=O)N[C@@H]1CCOc2ccccc21 23646783 BHVNNHXVBVFBKC-SNVBAGLBSA-N 205.257 2.036 0 40 BEAB Cc1ccccc1CN1C(=O)N[C@@H](C(C)C)C1=O 25822333 HUDNBJYHKWXCRQ-LBPRGKRZSA-N 246.310 2.071 0 40 BEAB CNCc1cc(-c2ccc(F)cc2)no1 35655521 RUSSAIUOPGIYCW-UHFFFAOYSA-N 206.220 2.200 0 40 BEAB C[C@@H]1NCCO[C@H]1c1cccc(Cl)c1 37405040 BOFUZZAQNVYZFF-GZMMTYOYSA-N 211.692 2.389 0 40 BEAB CCOCCNCc1cc(C)cc(C)c1 38076756 BSUFHWFRCDAXRT-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB CCOC(=O)CCCCC(=O)OC(C)C 39222807 WGXZQONZIBLCSI-UHFFFAOYSA-N 216.277 2.062 0 40 BEAB C[C@H]1COC[C@@H](C)N1C(=O)CCc1ccccc1 40634619 JSZLFDZPTSCBCB-BETUJISGSA-N 247.338 2.255 0 40 BEAB Cc1ccc(Nc2cccc(C(=O)O)c2)nn1 41074681 JBVMDCVLYMARJB-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB in-vitro COc1cccc([C@@H](O)c2ccco2)c1 41212477 GGTUCUAEQJYHHT-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB Fc1cccc(CSc2ncn[nH]2)c1F 45560276 CKDHDKBPROTUNV-UHFFFAOYSA-N 227.239 2.375 0 40 BEAB CONC(=O)c1ccccc1Oc1cccnc1 52027383 GNOZBODSODBZKZ-UHFFFAOYSA-N 244.250 2.165 0 40 BEAB CCOC(=O)CC(=O)c1cc(F)ccc1C 52140011 VGJUIZLAABNBIR-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB CCCOCCNc1cc(Cl)ncc1N 52537262 IZYURYGLXWORMH-UHFFFAOYSA-N 229.711 2.156 0 40 BEAB CC(C)CNC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 52635501 CCXLWFJUQCBFAC-UPJWGTAASA-N 240.391 2.125 0 40 BEAB CCN(CC)c1ncnc2c(C)nn(CC)c12 57280045 NHVCZHMVPGUUKA-UHFFFAOYSA-N 233.319 2.001 0 40 BEAB CC(=O)Nc1nnc(CCc2ccccc2)s1 59498690 FBWLNLVNXYCWLB-UHFFFAOYSA-N 247.323 2.282 0 40 BEAB COc1ccc2cc(C(=O)N3CCC3)[nH]c2c1 65553285 LKYURQXYTBQNDQ-UHFFFAOYSA-N 230.267 2.022 0 40 BEAB Cc1ccc(CNC(=O)c2cccc(C)n2)cn1 69529878 KDZPYMLKQCQSFB-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB CC(C)[C@@](C)(O)CNc1cnc2ccccc2n1 71902768 IRNTVBXWSFQION-AWEZNQCLSA-N 245.326 2.449 0 40 BEAB Cc1c(-c2ccc(F)cc2)n[nH]c1C(=O)O 72220431 ZQYGPVBUPVVTQU-UHFFFAOYSA-N 220.203 2.222 0 40 BEAB CC(C)(C)C(=O)N1CCC[C@H]1c1cc[nH]n1 72350796 ZKXVWSGMOBNETF-JTQLQIEISA-N 221.304 2.119 0 40 BEAB C[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1 74707319 AHNXAAZQEXAZBZ-GFCCVEGCSA-N 246.354 2.206 0 40 BEAB CCc1cccc2c3c([nH]c12)CCNC3 82589113 VYMFZNPXKKETDC-UHFFFAOYSA-N 200.285 2.376 0 40 BEAB C[C@H]1CCC[C@@H]1Nc1cccc(C(N)=O)c1 83389875 IPAFVINMSOCLSX-CABZTGNLSA-N 218.300 2.386 0 40 BEAB CC1CC(CN)([C@H](O)c2ccccc2F)C1 85395998 BSDGLZYPHWFEPA-BKDHPRRPSA-N 223.291 2.234 0 40 BEAB Cc1cnc(N2CCC[C@H](C)C2)c(N)c1 85425104 NCUHGQFGMRDZQU-VIFPVBQESA-N 205.305 2.209 0 40 BEAB CNC(=O)c1cccc(OC2CCCC2)c1 89391974 IRBMXTASDYOFBR-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB Cc1ccc(C)c(OCc2nncn2C)c1 89623938 YFFNXYVWQFKCRV-UHFFFAOYSA-N 217.272 2.011 0 40 BEAB O=C(NCC[C@H](O)c1ccoc1)[C@H]1CC=CCC1 90613061 ZAQSDYXSFSRWBD-AAEUAGOBSA-N 249.310 2.176 0 40 BEAB CC(C)n1cc(Br)c(C=O)n1 96528852 WBDCDCSOCNWESB-UHFFFAOYSA-N 217.066 2.039 0 40 BEAB Cc1cccc(N2CC[C@@H]3OCCC[C@@H]3C2)n1 97096674 KXTCLVQVFQHQEV-OLZOCXBDSA-N 232.327 2.395 0 40 BEAB C[C@@H](Cc1cccs1)C(=O)Nc1cnccn1 97146324 PAXGIVNSXIVDAF-VIFPVBQESA-N 247.323 2.355 0 40 BEAB CCOCC[C@@H]1C(=O)Nc2ccccc21 100262707 MLBPJJVPSVADDH-JTQLQIEISA-N 205.257 2.149 0 40 BEAB COc1cc(F)cc2[nH]c(C(=O)O)cc12 107150039 FMYHJHUNKLAGJB-UHFFFAOYSA-N 209.176 2.014 0 40 BEAB CC(C)(C)OC(=O)[C@H]1C[C@H](C(=O)O)C1(C)C 114928071 SUGWGGXZIXQNDM-HTQZYQBOSA-N 228.288 2.075 0 40 BEAB Nc1c(C(=O)O)cc2ccccc2c1[N+](=O)[O-] 145692745 VWOXDFIGNUTZAK-UHFFFAOYSA-N 232.195 2.028 0 40 BEAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC)cc1 170228943 FNLWHZRUHPMQRW-CYBMUJFWSA-N 237.299 2.449 0 40 BEAB C[C@@H](c1cccnc1)N(C)Cc1ccc(CO)o1 183722826 JULNQDFYQPCWTI-NSHDSACASA-N 246.310 2.360 0 40 BEAB CC(=O)N1CC[C@@H](Cc2ccnc(Cl)c2)C1 205700333 ARLFYUDSQDRRGQ-NSHDSACASA-N 238.718 2.146 0 40 BEAB Cn1cnc2cc(C(=O)NCC(C)(C)C)ccc21 225891546 BURXGFOVAYCJTJ-UHFFFAOYSA-N 245.326 2.349 0 40 BEAB CC(C)c1ccc([C@@H]2CN(C)C[C@H]2CO)cc1 242592196 OLZNQGPPDNVRMI-GJZGRUSLSA-N 233.355 2.448 0 40 BEAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)O 253403986 QTSUEJKYNHAMDW-ZETCQYMHSA-N 233.223 2.093 0 40 BEAB biogenic,in-vitro Cc1cn(C)c([C@@H]2CCCN2C2CCOCC2)n1 257217747 DAKDCPADMDIFSH-ZDUSSCGKSA-N 249.358 2.044 0 40 BEAB O=C(NC(=S)c1ccccc1)N1CCCC1 408733701 ZZRQCAGQPSPMHQ-UHFFFAOYSA-N 234.324 2.168 0 40 BEAB CCOC(=O)c1cc(C(=O)O)c2cc[nH]c2c1 613823756 MQAFFCCVEUSITN-UHFFFAOYSA-N 233.223 2.043 0 40 BEAB CCc1cnn(Cc2ccccc2)c1N 642882899 NHSHJSUWBKRYKL-UHFFFAOYSA-N 201.273 2.076 0 40 BEAB CSc1cccc(NC(=O)CCC(=O)O)c1 72373 UBMWDGPGGWBZJN-UHFFFAOYSA-N 239.296 2.212 0 40 BEAB Cc1cc(NC(=O)c2cc(C)oc2C)no1 355939 HCVXRTMGFNOIFA-UHFFFAOYSA-N 220.228 2.445 0 40 BEAB C[C@@H]1CCCc2sc3ncnc(NN)c3c21 510483 MVMJMLMQRVFYHB-ZCFIWIBFSA-N 234.328 2.417 0 40 BEAB CC(=O)Oc1ccccc1C(=O)NC(C)(C)C 1097925 ZPMMTXKXKHIKLH-UHFFFAOYSA-N 235.283 2.140 0 40 BEAB CCn1nc(N)c2c(C)c(Cl)c(C)nc21 1425732 UNDQIXRYXNULMD-UHFFFAOYSA-N 224.695 2.304 0 40 BEAB CCCN1CCc2cc(OC)c(OC)cc2C1 2009324 BGOHOTUOKDQICG-UHFFFAOYSA-N 235.327 2.472 0 40 BEAB Cc1ccc(C2=NC3(CCCC3)NC2=O)cc1 4891351 YEANQRNIAVOYSI-UHFFFAOYSA-N 228.295 2.184 0 40 BEAB CCCC[C@@H](CC)[C@@H]1N[C@H](C(=O)O)CS1 5575026 ZKYLUEMFTTZGJI-KXUCPTDWSA-N 231.361 2.319 0 40 BEAB CCCC[C@@H]1SCC(=O)N1c1nncs1 5760448 KTZGPOMJDAHQQH-QMMMGPOBSA-N 243.357 2.134 0 40 BEAB CCc1nnc(COc2ccc(C=O)cc2)o1 8731386 HJTSXJQBNDRWIC-UHFFFAOYSA-N 232.239 2.024 0 40 BEAB CCCc1cc(CSCCC(=O)O)on1 12398790 VVGXJTIUXTXDKE-UHFFFAOYSA-N 229.301 2.335 0 40 BEAB CCc1nnc2sc(-c3ccco3)nn12 13945094 RYCQWIXHFROMNA-UHFFFAOYSA-N 220.257 2.008 0 40 BEAB O=C(Nc1ccc(F)c(F)c1F)C1CC1 19935153 QIZCNEZSJWLFLG-UHFFFAOYSA-N 215.174 2.452 0 40 BEAB COC(=O)[C@@H](C(C)C)N1C[C@@H](C)C[C@@H](C)C1 22123341 XGODMWPEWRNOJL-GRYCIOLGSA-N 227.348 2.162 0 40 BEAB CCCCOC(=O)NCc1ccncc1 24494911 DHKSSZBZCXBTEP-UHFFFAOYSA-N 208.261 2.108 0 40 BEAB CC(C)(C)OC(=O)CNCCc1ccccc1 34302510 QDASFECSQYSVMK-UHFFFAOYSA-N 235.327 2.160 0 40 BEAB O=C(O)c1ccoc1Cn1cnc2ccccc21 35432731 LODFTUFCUGUCAJ-UHFFFAOYSA-N 242.234 2.376 0 40 BEAB OCc1cc(Cl)ccc1OC(F)F 36895041 WRCKBMKBPHCJSS-UHFFFAOYSA-N 208.591 2.434 0 40 BEAB in-vitro CN[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 37458419 AUZGIVMULMRHBJ-VIFPVBQESA-N 248.109 2.427 0 40 BEAB biogenic,in-vitro Cc1cc(CSc2nncn2C(C)C)no1 39978577 RBFXNPWVBVRPLD-UHFFFAOYSA-N 238.316 2.448 0 40 BEAB CCCCNC(=O)c1nnc(-c2ccccc2)o1 41124398 PYRVAZVWVWNSON-UHFFFAOYSA-N 245.282 2.267 0 40 BEAB CCCN(CC)C(=O)Cc1cccc(N)c1 52922380 FUPZUIRTTDEARJ-UHFFFAOYSA-N 220.316 2.070 0 40 BEAB C[C@@H](O)[C@@H]1CCCCN1Cc1ccccc1 69563252 GABUHJHKJGAPEA-OCCSQVGLSA-N 219.328 2.422 0 40 BEAB CC[C@@H](c1ccccc1)N(C)C[C@H](O)COC 71899852 IPGPSCIHLCSLRO-KBPBESRZSA-N 237.343 2.077 0 40 BEAB CN[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207679 PRWFSZXEPFDTEG-GHMZBOCLSA-N 242.363 2.241 0 40 BEAB CC(C)N1CCC[C@@H](c2cncc(N(C)C)n2)C1 72348468 LXKPACIODVKUTE-GFCCVEGCSA-N 248.374 2.130 0 40 BEAB COc1ccc(COC(=O)c2ccoc2)cn1 76091002 MNOLLUDUWJEMID-UHFFFAOYSA-N 233.223 2.040 0 40 BEAB Cc1cc(C(=O)O)n(Cc2cccc(F)c2)n1 77367945 KSQQJSFPTVWKJN-UHFFFAOYSA-N 234.230 2.077 0 40 BEAB O=C(O)/C=C/c1ccc(Cl)nc1Cl 82286459 IHIMUJNWAXYWCK-DUXPYHPUSA-N 218.039 2.486 0 40 BEAB O=C(Nc1c(F)cccc1F)c1cnco1 82339064 ZHINLJCRVIDVPY-UHFFFAOYSA-N 224.166 2.205 0 40 BEAB C[C@H]1CNCCN1c1cccc2cnccc12 86177104 BDNZUHNXMWLNHX-NSHDSACASA-N 227.311 2.033 0 40 BEAB in-vitro CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 95394056 ZSTLEZNHZHWPHT-GFCCVEGCSA-N 207.248 2.413 0 40 BEAB O=C1CCCc2ncc(Br)cc21 95642130 UQWUIRUUIMHHEM-UHFFFAOYSA-N 226.073 2.363 0 40 BEAB FC(F)(F)Oc1ccc([C@@H]2COCCN2)cc1 95692814 HBXMNLJLIGPTDU-JTQLQIEISA-N 247.216 2.246 0 40 BEAB Cc1ccnc(SC2C[C@@H]3CC[C@H](C2)N3)n1 95908611 SKPAQGSPHRGUHC-ZACCUICWSA-N 235.356 2.160 0 40 BEAB C[C@@H]1C[C@H]2CN(C(=O)c3ccccc3F)C[C@H]2O1 96045731 UJSRRARMKUMCQZ-GBIKHYSHSA-N 249.285 2.075 0 40 BEAB CS(=O)(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 96510124 IRZSJLFMXFSOGV-VHSXEESVSA-N 230.716 2.241 0 40 BEAB CC[C@@H](C(=O)c1cccc(C)c1)S(C)(=O)=O 96518053 UVVCMHIOCOCLCJ-NSHDSACASA-N 240.324 2.001 0 40 BEAB CCOC(CN1[C@@H](C)CC[C@@H]1C)OCC 97161666 HIGCOTCDNPEBCH-QWRGUYRKSA-N 215.337 2.258 0 40 BEAB Cc1nccc(N2C[C@H]3CC=CC[C@@H]3C2)n1 97212661 YCZQDJZEXXTTIG-VXGBXAGGSA-N 215.300 2.187 0 40 BEAB O=c1ccccn1Cc1ccc2c(c1)CCC2 98010222 VTBAPPURTIGAGJ-UHFFFAOYSA-N 225.291 2.385 0 40 BEAB CC(C)N1CCC[C@H](Cc2ccn[nH]2)C1 205693889 LMXOFVICSIYTLD-LLVKDONJSA-N 207.321 2.073 0 40 BEAB CC[C@@H](C)n1c(CO)ccc1CCOC 226030417 ARPOFWWRELWUEE-SNVBAGLBSA-N 211.305 2.140 0 40 BEAB CCn1nc(C)cc1NCc1c(C)cnn1CC 256051224 IGZXVPBIJWHOGH-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB CSc1cccc(C(=O)N2CC(CF)C2)c1 335427006 GCBHRKOHCBWEIR-UHFFFAOYSA-N 239.315 2.450 0 40 BEAB Cc1ccn2nc(C)c(Br)c2n1 575441543 AJQUAXNMGQRBKR-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB COC(=O)C[C@@]12C[C@H]3CC[C@]1(C)[C@@]3(C)CO2 583929829 PMWSVSSZDYPBHB-MGAJPHDKSA-N 224.300 2.145 0 40 BEAB CCCN(C/C=C/C(=O)O)C(=O)OC(C)(C)C 685936898 BUDXRMKOOJFTTA-VOTSOKGWSA-N 243.303 2.274 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]12CCC[C@H]2O 953091163 CSQRGDKPKDHLEO-MFKMUULPSA-N 241.331 2.301 0 40 BEAB O=C(Nc1cccc(Cl)c1)c1cnsn1 935411 WQDSDBWBOGFVCQ-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CCC[P@](=O)(O)O[P@](=O)(O)CCC 2516975 MNGBGMIBJMKFMJ-UHFFFAOYSA-N 230.137 2.194 0 40 BEAB O=C1CS[C@@H](c2ccccc2)N1C1CC1 4218185 CAQHDFBDKHDMKL-LBPRGKRZSA-N 219.309 2.423 0 40 BEAB in-vitro O=C(NCc1ccccc1)c1cc(O)cc(O)c1 4473154 JRBTZVVRNZHCRH-UHFFFAOYSA-N 243.262 2.028 0 40 BEAB CCc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=S)N1)O2 4484268 IYLSQGMFAWNLIA-GWCFXTLKSA-N 248.351 2.267 0 40 BEAB CCOCc1nnc(NC(=O)CC(C)C)s1 4715244 UDDFQPMUNOBOIA-UHFFFAOYSA-N 243.332 2.059 0 40 BEAB C[C@@H](SCC(=O)c1ccccc1)C(=O)O 6852756 MUKLLYPHTKCERM-MRVPVSSYSA-N 224.281 2.076 0 40 BEAB CC(C)(C)c1ccc(Nc2nncc(=O)[nH]2)cc1 11991077 OZRGPCNNNSNGOE-UHFFFAOYSA-N 244.298 2.206 0 40 BEAB COC(=O)c1nn(-c2ccccc2)c2c1CCC2 15516972 QFWRLHFDXCXQLD-UHFFFAOYSA-N 242.278 2.148 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1 16349095 LDVYEDUJMSLZLB-QWHCGFSZSA-N 233.311 2.028 0 40 BEAB Cc1ccc(NC(=O)CNC2CCCC2)cc1 20037095 OCZNTGXXWRDMIO-UHFFFAOYSA-N 232.327 2.466 0 40 BEAB O=C(O)c1cc(-c2ccc(F)c(F)c2)on1 26423744 GUQAHOANQYNQHL-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB in-vitro CCOC(=O)[C@@H]1CCCN(c2cccc(N)c2)C1 26896357 QUEDYSWENMZWIY-LLVKDONJSA-N 248.326 2.048 0 40 BEAB CC[C@H](C)NC(=O)CCc1cn(CC)nc1C 28576860 BZMTZOHCOUSXBP-JTQLQIEISA-N 237.347 2.059 0 40 BEAB Cc1ccc(C(=O)N2CCC(C)CC2)cn1 32895426 BCQYGTYSGHDVFA-UHFFFAOYSA-N 218.300 2.262 0 40 BEAB CCN(CCO)c1ccc(N)cc1C(F)(F)F 37897208 DNAPYLZPJIROQZ-UHFFFAOYSA-N 248.248 2.106 0 40 BEAB Cc1noc(C(C)C)c1C(=O)N1CCCC1 39984802 FTYXHRPPVZNZJG-UHFFFAOYSA-N 222.288 2.342 0 40 BEAB C[C@H]1CN(Cc2ccccc2F)CCO1 40479432 HEESVUUESWGQJN-JTQLQIEISA-N 209.264 2.046 0 40 BEAB COCCCNc1cnc2ccccc2n1 40489112 CLQKPKIBSBIQSU-UHFFFAOYSA-N 217.272 2.078 0 40 BEAB C[C@H](NC(=O)Nc1nccs1)c1cccnc1 42757366 WQOOTGBQYOQVPB-QMMMGPOBSA-N 248.311 2.421 0 40 BEAB N[C@@H]1CCCN(c2cccc(Cl)c2)C1 44568228 IZNMZGNBNHIULF-SNVBAGLBSA-N 210.708 2.268 0 40 BEAB Cc1cnn(CCNCCc2cccs2)c1 53534862 DDYJXBVAPKGWPP-UHFFFAOYSA-N 235.356 2.085 0 40 BEAB Cc1nc2c(NC3CCCCC3)ncnc2[nH]1 57279835 KLFPAUOHKGLXRI-UHFFFAOYSA-N 231.303 2.406 0 40 BEAB CCc1nc(NC2CC2)c2c(n1)c(C)nn2CC 57355577 RAEARCZDFVNYMZ-UHFFFAOYSA-N 245.330 2.291 0 40 BEAB O=C(/C=C/c1ccccc1)NCC(F)(F)F 58191098 KGIONHWXPLPZDC-VOTSOKGWSA-N 229.201 2.378 0 40 BEAB C[C@H](O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 62713836 NOLYNJCKOXZVCZ-TVYUQYBPSA-N 205.301 2.237 0 40 BEAB COc1cccc(-n2cnc3ccccc32)n1 65396740 NDHNZJJWVJRDAT-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB c1cnc(N2CCC[C@H](c3nccs3)C2)nc1 67448025 ZBQAUNADQKMSKC-JTQLQIEISA-N 246.339 2.317 0 40 BEAB CCOC(=O)c1cc2ncccc2nc1C 71255731 FEYIFXXIHHEWRL-UHFFFAOYSA-N 216.240 2.115 0 40 BEAB CCCN(CCC)c1ccc(CN)c(C)n1 72224325 OJTCXEWFENFUBH-UHFFFAOYSA-N 221.348 2.475 0 40 BEAB CCC(=O)Oc1cnn(-c2ccccc2)c1 72283968 JGHUOELGGJSOSM-UHFFFAOYSA-N 216.240 2.188 0 40 BEAB CCCC(=O)N1CCC(Cc2ncccn2)CC1 72350759 MUTNWUWAGNGBER-UHFFFAOYSA-N 247.342 2.058 0 40 BEAB OCCN[C@H]1CCCSc2ccccc21 89857778 UYIRROMSBXEQBR-NSHDSACASA-N 223.341 2.196 0 40 BEAB O=C1c2ccsc2CN2CCCC[C@H]12 89885344 FFGYTSQUYVDFSD-SECBINFHSA-N 207.298 2.299 0 40 BEAB c1csc([C@@H]2CCCN(Cc3c[nH]cn3)C2)n1 92788692 ILFCFRFSNVJHKM-SNVBAGLBSA-N 248.355 2.246 0 40 BEAB OC[C@@H](NC[C@@H]1CC=CCC1)c1ccco1 95434064 WLAFVRDODRRNAI-VXGBXAGGSA-N 221.300 2.259 0 40 BEAB COc1ccccc1[C@@H](O)c1cccn1C 95727853 LDVCMEQQQHSADQ-CYBMUJFWSA-N 217.268 2.115 0 40 BEAB CCCC[C@H](CCC)NC(=O)N1CCOCC1 96452414 NCNWOQVKVQLTRC-LBPRGKRZSA-N 242.363 2.387 0 40 BEAB COc1ccc([C@@H](C)O[C@@H]2CCNC2)cc1 96529876 LZEIWEBVEJSGNL-ZWNOBZJWSA-N 221.300 2.135 0 40 BEAB CC[C@H](N[C@@H]1CCCSC1)c1noc(C)n1 97370981 PMAVAISMEZLQPN-ZJUUUORDSA-N 241.360 2.314 0 40 BEAB O=C1CCCC[C@H]1C(=O)C(F)(F)Cl 102895924 VVUYGRILYXZMFC-RXMQYKEDSA-N 210.607 2.146 0 40 BEAB N[C@H](C(=O)O)c1c(F)ccc(Cl)c1Cl 199809136 BYZDJCVTQYXVHJ-ZETCQYMHSA-N 238.045 2.217 0 40 BEAB CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccco1 206861856 YJEOZLQIUXOPRM-YPMHNXCESA-N 249.310 2.440 0 40 BEAB CCc1cccc(C)c1-n1nc(C(=O)O)cc1O 217700616 JQGFCAFLPHNHLP-UHFFFAOYSA-N 246.266 2.147 0 40 BEAB O=C(NC1CCCC1)c1cnc(C2CC2)nc1 222592039 QBORAMSWBJVQPH-UHFFFAOYSA-N 231.299 2.026 0 40 BEAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2C=C[C@H]1C2 229028678 GWQWUOBITCOLQH-JBLDHEPKSA-N 214.268 2.232 0 40 BEAB CC(C)N1C[C@H]2CC[C@H]1[C@@H]2Oc1ccccn1 248160239 KUNLZLVLSFDXPC-MBNYWOFBSA-N 232.327 2.332 0 40 BEAB O=C1OCOc2c(Br)cc(F)cc21 258833713 LHUCMBGVSDPLPH-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB CCc1cc(CO)c2c(F)cccc2n1 685937280 MEOVFDLQQILOCD-UHFFFAOYSA-N 205.232 2.429 0 40 BEAB NC(=O)c1cc(-c2ccccc2Cl)no1 266272 OONALVBQGSWPMI-UHFFFAOYSA-N 222.631 2.094 0 40 BEAB Cc1cccc(C)c1OCC(=O)NCC(C)C 364811 ZMZUIHFYODHABM-UHFFFAOYSA-N 235.327 2.454 0 40 BEAB N[C@H](c1ccccc1)[C@H](O)c1ccc(O)cc1 1668349 YQLYRTPHCSXQLY-ZIAGYGMSSA-N 229.279 2.126 0 40 BEAB CC(C)(C)OC(=O)C[C@@H](N)c1ccccc1 2569684 TYYCBAISLMKLMT-LLVKDONJSA-N 221.300 2.418 0 40 BEAB CCCCNC(=O)c1ccc(OC)cc1OC 2807390 KCHRXUYOOLSMST-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB CCOc1ccc(NC2=NC(=O)CS2)cc1 5512019 XOAGWHBBYSSMOR-UHFFFAOYSA-N 236.296 2.127 0 40 BEAB C[C@@H]1Cc2cc(C(=O)CCN(C)C)ccc2O1 5530589 VBYSKZXLNUGJFA-SNVBAGLBSA-N 233.311 2.144 0 40 BEAB CC[C@@H](C)C(=O)Nc1nc(C)cc(C)n1 5593258 HXGZGRXLJLWUTE-SSDOTTSWSA-N 207.277 2.078 0 40 BEAB Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1 16705333 SLWCXTZYGLCBIW-UHFFFAOYSA-N 247.273 2.278 0 40 BEAB COc1cccc2c(CC(C)=O)c[nH]c12 20269430 YPYFBAIZFGSPLG-UHFFFAOYSA-N 203.241 2.308 0 40 BEAB C[C@@H]1CCCN(Cc2ccccc2CN)C1 21953070 IVLIBJFMPDKULN-GFCCVEGCSA-N 218.344 2.377 0 40 BEAB in-vitro COc1cccc([C@@]2(O)CCCC[C@H]2CN)c1 21986241 QNPPIKMBCJUUTG-JSGCOSHPSA-N 235.327 2.032 0 40 BEAB in-vitro Nc1cccc2c(-c3cccnc3)n[nH]c12 31991957 NEQVNKMIHLVEJU-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1ccccn1 32903628 MHDDWPJEIUCCIH-UHFFFAOYSA-N 216.284 2.000 0 40 BEAB CCOC(=O)/C=C\c1ccc(OC)c(OC)c1 33378675 SUFLQJBENWTBOL-VURMDHGXSA-N 236.267 2.280 0 40 BEAB O=C(O)C[C@@H]1CCCN(Cc2ccccc2)C1 34963075 QJHMRAUNAZTRTG-ZDUSSCGKSA-N 233.311 2.373 0 40 BEAB C=CC(=O)N[C@@H](C)c1ccccc1OC 36334406 PVNMEYOQUZDFAU-VIFPVBQESA-N 205.257 2.058 0 40 BEAB C[C@@H](C(=O)O)c1cn(C)c2ccccc12 39118025 BWJKELIYCFNOEB-MRVPVSSYSA-N 203.241 2.366 0 40 BEAB in-vitro Cc1ccc(C[C@@H](C(=O)O)N2CCCCC2)cc1 41299183 ALTMRWRAMBNEEP-AWEZNQCLSA-N 247.338 2.477 0 40 BEAB C[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](C)CO1 45445954 HZLHZGMDFKMALW-CHWSQXEVSA-N 247.338 2.255 0 40 BEAB COCCCN(CCOC)Cc1ccccc1 51375669 VKJUZQOLTTZKFV-UHFFFAOYSA-N 237.343 2.172 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cnn(C)c1C 58283730 GTCRRMDBJUAODQ-LLVKDONJSA-N 235.331 2.133 0 40 BEAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCNC2)c1 62114125 RAVVIBZVHHOFNR-CHWSQXEVSA-N 246.354 2.090 0 40 BEAB CCO[C@H](CNC)c1cc(F)ccc1F 62711577 UARUSPQVDWHIIH-LLVKDONJSA-N 215.243 2.262 0 40 BEAB C[C@@H](C(=O)N(C)C(C1CC1)C1CC1)n1cccn1 64974824 TZIMGHADRAVDRH-JTQLQIEISA-N 247.342 2.091 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(C)on2)c1 69562763 BSHOAKYEHIVCMS-VXGBXAGGSA-N 248.330 2.227 0 40 BEAB O=C(NCC1CCOCC1)Oc1ccccc1 70266605 QUYVWOWSXBFBKM-UHFFFAOYSA-N 235.283 2.202 0 40 BEAB COc1cccc(Nc2cc(=O)[nH]c(=S)[nH]2)c1 72226406 SLRXKZREUGOKEL-UHFFFAOYSA-N 249.295 2.185 0 40 BEAB Cc1ccc(-c2nc(C)cc(NCCO)n2)cc1 73311671 LLHCCKONFPXZJR-UHFFFAOYSA-N 243.310 2.165 0 40 BEAB CC(C)(C)n1nccc1[C@@H]1CCCCN1 75869333 UFZWEBFRVWRJDT-JTQLQIEISA-N 207.321 2.453 0 40 BEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnc[nH]1 76619710 PPIAKDORZGKLCZ-SCVCMEIPSA-N 233.315 2.203 0 40 BEAB Cc1n[nH]c(-c2cccs2)c1CC(=O)O 79124076 KTTZMESPESBVLP-UHFFFAOYSA-N 222.269 2.074 0 40 BEAB CC(C)N(C[C@@H]1CCNC1)C(=O)OC(C)(C)C 79437641 GFOHWUANGLHYFD-LLVKDONJSA-N 242.363 2.241 0 40 BEAB CC(C)c1cc(C(=O)OCc2ccoc2)nn1C 80283359 FLFHKBWDQWVVEJ-UHFFFAOYSA-N 248.282 2.494 0 40 BEAB COc1c(CCN)ccc2sccc12 82321286 VEMJTLIKIKMFPV-UHFFFAOYSA-N 207.298 2.411 0 40 BEAB Fc1ccc(F)c(OCCC2OCCCO2)c1 89064040 BNJFSXFPDAXHLM-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB Cc1cnc(C)c(NCc2c(C)nn(C)c2C)n1 92340142 NSZHMCYHRSGNBY-UHFFFAOYSA-N 245.330 2.056 0 40 BEAB CC(C)[C@H]1OCC[C@@H]1CNCc1cscn1 97165758 XFXDASATPMNGLI-ZYHUDNBSSA-N 240.372 2.294 0 40 BEAB Nc1cc(C(F)(F)F)cc(F)c1C(=O)O 97447220 ZGEVEJFADKGYGZ-UHFFFAOYSA-N 223.125 2.125 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@](O)(CC(=O)O)C2 100271194 HBWSRVTVYLQCPC-XXILOJSOSA-N 212.289 2.038 0 40 BEAB COCc1nc(C)cc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1 101393964 FCSNQOWLKQPSKM-GHMZBOCLSA-N 247.342 2.024 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](O)C1CCCC1 143541464 OCLVPGXOBZWFGM-JTQLQIEISA-N 229.320 2.062 0 40 BEAB CC(=O)c1ccc(NCc2ncc(C)o2)nc1 192735424 DTIRQEJXXLEBLE-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CC(C)(C)[C@H](N)C(=O)N1CCC2(CCCC2)C1 195543446 KXTUAOXDCUOBGQ-LLVKDONJSA-N 238.375 2.153 0 40 BEAB COC[C@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 195550388 RKKDJOJSSLBGMY-TUAOUCFPSA-N 239.359 2.376 0 40 BEAB CSCCn1ccnc1[C@@H](O)c1ccccc1 195570651 JYNNXNTUQKESLF-LBPRGKRZSA-N 248.351 2.328 0 40 BEAB O=C(OCc1ccc(Cl)cn1)c1cccnc1 195574081 PCOKUTMXZLPZHR-UHFFFAOYSA-N 248.669 2.487 0 40 BEAB Cc1ccc(Br)c2c1CC[C@@H]2NN 199544751 RPRZAPBABPQZHF-VIFPVBQESA-N 241.132 2.208 0 40 BEAB CN1CCC(Cc2nccnc2Cl)CC1 205673597 DCUWLWORYRZOFX-UHFFFAOYSA-N 225.723 2.014 0 40 BEAB CSc1ncc2c(n1)C[C@@H](C(F)F)C[C@H]2O 217649112 QPSXIVGKORDZCR-SVGQVSJJSA-N 246.282 2.059 0 40 BEAB CC(C)Cn1ccc(CNCc2cccn2C)n1 256052229 MLXHMBRWOPSSTG-UHFFFAOYSA-N 246.358 2.167 0 40 BEAB CC(C)CCO[C@H]1CCN(c2cnccn2)C1 267621382 IBYRTCIPUOHPAA-LBPRGKRZSA-N 235.331 2.118 0 40 BEAB Cc1nsc(N2C[C@H]3CCC[C@H]3C2)n1 301607773 OAISSMJAJJBJPT-DTORHVGOSA-N 209.318 2.083 0 40 BEAB O=C(NC1CCCC1)N1CCC(F)(F)CC1 404829545 XCYTZCVOBLXQFQ-UHFFFAOYSA-N 232.274 2.370 0 40 BEAB O=Cc1c(Cl)ccn(C2CCCC2)c1=O 575422624 IFURQBKWEMAYCD-UHFFFAOYSA-N 225.675 2.429 0 40 BEAB COc1c(F)c(F)c([C@H](C)O)c(F)c1F 1772490903 UYCSRVMHOHFVTN-VKHMYHEASA-N 224.153 2.305 0 40 BEAB CC(=O)c1cccc(NC(=O)c2cnoc2C)c1 385417 JUOHUQIZSGXFHT-UHFFFAOYSA-N 244.250 2.438 0 40 BEAB O=C(Nc1cccc(F)c1)c1ccc(=O)oc1 551788 OVUGHAQWRDNWKG-UHFFFAOYSA-N 233.198 2.031 0 40 BEAB COc1ccccc1OCCn1cccc1C=O 808198 ZNWNEVWXBZZJJM-UHFFFAOYSA-N 245.278 2.388 0 40 BEAB c1ccc(CSc2ncnc3nc[nH]c23)nc1 1677267 IMNOEUFZITUSSY-UHFFFAOYSA-N 243.295 2.040 0 40 BEAB Nc1ccc2nc(N3CCCC3)sc2c1 9646759 HQWAGLLISXEQGE-UHFFFAOYSA-N 219.313 2.479 0 40 BEAB in-vitro CCc1cc2cc(F)ccc2nc1NN 11634036 HKBLOQAPJMWCNA-UHFFFAOYSA-N 205.236 2.222 0 40 BEAB O=C(NCC1CC1)c1coc(Br)c1 12989680 JGHZCUQPCKJLHX-UHFFFAOYSA-N 244.088 2.182 0 40 BEAB O=C(NCCc1cccs1)c1cccnc1 13010505 VMWNPRLDFTXJRJ-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB CCC1CCC(NC(=O)[C@@H]2CCCO2)CC1 16606039 WPNCXOMNLMPIFI-MCIGGMRASA-N 225.332 2.250 0 40 BEAB O=C(O)[C@H](c1ccccc1F)N1CCCCC1 16771221 JWEVOPISFCSQTI-LBPRGKRZSA-N 237.274 2.437 0 40 BEAB NCCc1nc(-c2c(F)cccc2Cl)no1 20268688 GHHLUABIQYHQQY-UHFFFAOYSA-N 241.653 2.030 0 40 BEAB COc1cc2c(cc1OC)[C@@H](C)CC(=O)O2 21995744 KVCHQKXKFSGHIK-ZETCQYMHSA-N 222.240 2.116 0 40 BEAB c1c(CC2CCCCC2)nnn1C1CCNCC1 23398523 KKMXQCYZFHBMJY-UHFFFAOYSA-N 248.374 2.325 0 40 BEAB CCn1c(=O)n(CC)c2cc(C)ccc21 30836064 BZYSKQPLOPIHED-UHFFFAOYSA-N 204.273 2.151 0 40 BEAB C[C@H]1CC(N)C[C@@H](C)N1Cc1ccccc1 34725289 VVQHCVRZYPYZNW-ONXXMXGDSA-N 218.344 2.387 0 40 BEAB CNCc1ccc(OCC(F)(F)F)c(F)c1 34825738 IRLIBIJCSMTYHC-UHFFFAOYSA-N 237.196 2.486 0 40 BEAB CCCOC(=O)c1cncc(Br)c1 35101604 VMBNMGTZFRFBDJ-UHFFFAOYSA-N 244.088 2.411 0 40 BEAB COC(C)(C)[C@@H](C(=O)O)c1ccccc1 35572375 WIJIRZQPVVFTMY-SNVBAGLBSA-N 208.257 2.280 0 40 BEAB Clc1ccc([C@@H]2CNCCN2)cc1Cl 38531981 PUJZPGUYDJGSAC-JTQLQIEISA-N 231.126 2.227 0 40 BEAB CC(C)CSCC(=O)N1C[C@H](C)O[C@H](C)C1 40456871 GUAKJPKCIFVRPO-PHIMTYICSA-N 245.388 2.011 0 40 BEAB CC(C)CO[C@@H](C)C(=O)NCc1ccccc1 42468925 NXJDLKYOZAJIRX-LBPRGKRZSA-N 235.327 2.364 0 40 BEAB CC1(O)CCC(NC(=O)OC(C)(C)C)CC1 51971855 DZKXFTPOGGFHOX-UHFFFAOYSA-N 229.320 2.205 0 40 BEAB CN(CCNC(=O)C1CCCC1)c1ccccc1 53207001 JHBZUBNSBNIWPB-UHFFFAOYSA-N 246.354 2.429 0 40 BEAB Cc1ccc(C(=O)O)cc1NCc1[nH]cnc1C 54795783 HWJMFNGYTLOLLC-UHFFFAOYSA-N 245.282 2.337 0 40 BEAB in-vitro C[C@H](Cn1ccc2ccccc21)C(=O)O 57531605 VZRQCALDRRWTLU-SECBINFHSA-N 203.241 2.362 0 40 BEAB in-vitro Cc1cc(C(C)(C)C)c(O)c(C)c1CC(N)=O 60057396 SZXVVIYVCJXDSD-UHFFFAOYSA-N 235.327 2.334 0 40 BEAB in-vitro N[C@@]1(C(=O)O)C[C@@H]1c1cc(Cl)cc(Cl)c1 62713269 MFCGDMLSOLLLNU-SCZZXKLOSA-N 246.093 2.263 0 40 BEAB O=C(c1ccc[nH]1)N1CCOc2ccccc21 63770034 OQXGDYNLAOULTC-UHFFFAOYSA-N 228.251 2.054 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67092459 KQRVPAGTJIGPEE-GHORINQJSA-N 233.286 2.454 0 40 BEAB CCc1noc(CN(C)Cc2ccccc2F)n1 69451376 MNQYVHBIQSEQSS-UHFFFAOYSA-N 249.289 2.403 0 40 BEAB Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2)n1 72354372 WNBQWDMFUUQWOL-JTQLQIEISA-N 245.248 2.402 0 40 BEAB CCC[C@@H]1CCCC[C@@H]1NC(=O)COCC 84740613 ISYWTVBTJQEQGZ-NEPJUHHUSA-N 227.348 2.498 0 40 BEAB Brc1ccc(OC2CC2)cn1 91692825 NKSZSMNCNRIAMP-UHFFFAOYSA-N 214.062 2.385 0 40 BEAB CCc1oc(C(=O)OC2CCOCC2)cc1C 97032017 YAHJCFVFTOBXIO-UHFFFAOYSA-N 238.283 2.486 0 40 BEAB O=C1CCC[C@@H]2c3cc(F)ccc3N[C@@H]12 100021633 IHIIJLANCVFABM-PRHODGIISA-N 205.232 2.456 0 40 BEAB CC1(C)C[C@H](O)CCN1Cc1ccccc1 148371718 PQOBJUIKMNOJMP-CYBMUJFWSA-N 219.328 2.422 0 40 BEAB O=[N+]([O-])c1ccc(-c2ncn[nH]2)c(Cl)c1 221628772 LLMDETXWULAHHL-UHFFFAOYSA-N 224.607 2.033 0 40 BEAB COc1ccc2c(c1)NC(=O)CC2(C)C 225811155 MVPBEELAMPEHSH-UHFFFAOYSA-N 205.257 2.315 0 40 BEAB O=C1CCNc2nc(C(F)(F)F)ccc21 238590311 QQRJYNYRQNFJOH-UHFFFAOYSA-N 216.162 2.099 0 40 BEAB CCCC[C@@H](C)C(=O)Nc1cc(C)n(C)n1 252510546 ZNNHGYQTYRVBIG-SECBINFHSA-N 223.320 2.493 0 40 BEAB CCn1ncc(CNCc2ccccc2)c1F 256055269 ZZYPAZBNISQLCM-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB Oc1ccc(C(F)(F)C(F)(F)F)nc1 306145866 UCCMEYHMWQYRKR-UHFFFAOYSA-N 213.105 2.441 0 40 BEAB O=Cc1nccc(OC(F)F)c1Cl 306704196 NIJBUPLCERRYQX-UHFFFAOYSA-N 207.563 2.149 0 40 BEAB CCC1CCN(C(=O)C2(COC)CCC2)CC1 330032166 IZXQHJUXQOUYLK-UHFFFAOYSA-N 239.359 2.452 0 40 BEAB O=C(O)CCCn1cc(Cl)c(C(F)F)n1 408717226 XCATWKXDQTZYEO-UHFFFAOYSA-N 238.621 2.339 0 40 BEAB CC(C)CC(=O)N[C@@H]1CCC12CCOCC2 585409425 RYEGVGDSFXKDRI-LLVKDONJSA-N 225.332 2.108 0 40 BEAB CCOC(=O)C1(c2ccc(C)c(C)c2)CC(=O)C1 685937222 NVUVYIABZFRIKJ-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB COC(=O)c1ccc(C2(N)CC2)cc1Cl 1536198158 KFSHSILAMKWNSI-UHFFFAOYSA-N 225.675 2.074 0 40 BEAB CN1CCc2c(c3ccccc3n2C)C1 36609 JHIOFDRUJGJPFN-UHFFFAOYSA-N 200.285 2.166 0 40 BEAB biogenic COc1ccc(C(=O)NCC(C)C)c(OC)c1 288833 ANQJZAYIBOMBKB-UHFFFAOYSA-N 237.299 2.090 0 40 BEAB C/C=C/CS(=O)(=O)Cc1ccccc1 1758232 VBDZEMXCIHUOHC-NSCUHMNNSA-N 210.298 2.178 0 40 BEAB Fc1ccc(CSC2=NCCN2)cc1 1994447 YQOUAFSQWUOMIC-UHFFFAOYSA-N 210.277 2.018 0 40 BEAB NC[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 2586102 PDXHEQJXLTXTCU-LURJTMIESA-N 234.082 2.120 0 40 BEAB COC(=O)[C@]1(C)CCN(Cc2ccccc2)C1 4203473 HLVDSYQLKFDBGO-CQSZACIVSA-N 233.311 2.072 0 40 BEAB O=c1cc(Cl)nc2ccc(Cl)cn12 4218945 NTUDDGZNPQEOQZ-UHFFFAOYSA-N 215.039 2.001 0 40 BEAB in-vitro Cc1ccccc1Nc1ncnc2[nH]cnc12 4366317 CYJQJCDEPFAYIR-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB S=C1NN=C(c2ccccc2)CS1 5602697 ORJDJOIFXXPACS-UHFFFAOYSA-N 208.311 2.012 0 40 BEAB CCOc1cc2c(cc1C(=O)O)O[C@@H](C)C2 6086120 ODSXOISFTLLYEQ-ZETCQYMHSA-N 222.240 2.107 0 40 BEAB Cn1nc2[nH]c(=S)sc(=S)c2c1O 8648315 NTSCZRJIDASCFT-UHFFFAOYSA-N 231.327 2.127 0 40 BEAB O=C(C1CCC1)N1CCn2c1nc1ccccc12 12534912 PJIMMWUSAHRYAL-UHFFFAOYSA-N 241.294 2.183 0 40 BEAB Fc1ccc(OC[C@@H]2CCCCN2)cc1 19504007 HFUVMKWNXZYIJJ-NSHDSACASA-N 209.264 2.347 0 40 BEAB O=C(O)c1cccn1Cc1cccs1 19802951 ONXQVRCIJMWQJR-UHFFFAOYSA-N 207.254 2.296 0 40 BEAB in-vitro CCOC(=O)Cc1[nH]c2ccccc2c1C=O 20028371 VHRFJTDQOOXWDC-UHFFFAOYSA-N 231.251 2.086 0 40 BEAB Cc1cc(F)ccc1-n1ccc(C(=O)O)n1 20475903 QUPGXFAIRJFVSK-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB in-vitro C[C@@H]1c2cccn2CCN1C(=O)C1CCC1 32753030 JFYNSPLVPRKYGZ-SNVBAGLBSA-N 218.300 2.191 0 40 BEAB O=C(CCc1cccs1)NCc1ccccn1 32896728 FOYXMQHYCZKTIE-UHFFFAOYSA-N 246.335 2.392 0 40 BEAB Nc1cccc(C(=O)NCc2cccs2)c1 36984605 LPHNZBMRZOBHES-UHFFFAOYSA-N 232.308 2.260 0 40 BEAB in-vitro CCCn1c(=O)c(C(=O)O)cc2ccccc21 38953459 LTTGTFBQHLVWMM-UHFFFAOYSA-N 231.251 2.110 0 40 BEAB Cc1noc(C)c1CN(C)C(=O)C(C)(C)C 47643670 WCCCXZYFLBWXDE-UHFFFAOYSA-N 224.304 2.296 0 40 BEAB COc1ccc(CC2(C(=O)O)CC2)cc1 49813387 SQVBYDTVLONLQJ-UHFFFAOYSA-N 206.241 2.103 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)c1csc(N)n1 55177427 VLMAQIPKRMWBRL-HTQZYQBOSA-N 239.344 2.034 0 40 BEAB COCC(=O)N1CCC[C@@H]1c1cccc(F)c1 55864125 YNCNWCRVDXOIFQ-GFCCVEGCSA-N 237.274 2.136 0 40 BEAB Cc1ccc(N[C@@H]2CCN(C(C)C)N2C=O)cc1 59391218 KMCFDQGJZVHGMR-AWEZNQCLSA-N 247.342 2.221 0 40 BEAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2C)cn1 69740699 LMXXWGJAODMAFU-LBPRGKRZSA-N 248.326 2.170 0 40 BEAB NC1CCC(NCc2cnc(Cl)s2)CC1 72203776 FAVMBQGEOHMFTM-UHFFFAOYSA-N 245.779 2.156 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc(C)nc1 72211233 YYDXESIPAUSLNN-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CC[C@H](N)c1cnc(N(C)CC)c(C)c1 72222206 AFYURQCSXRWFML-NSHDSACASA-N 207.321 2.256 0 40 BEAB COc1ccc([C@H](O)c2ccccc2)c(C)n1 72224023 QWTUQRUJERCLCV-CQSZACIVSA-N 229.279 2.480 0 40 BEAB Nc1nc(-c2ccccc2)c2ccccc2nc1=O 85343577 DHFJIKIXEQKITR-UHFFFAOYSA-N 249.273 2.239 0 40 BEAB CCc1noc(CC)c1CNC(=O)C1CC=CC1 87431743 QFWWCDCKYINIDC-UHFFFAOYSA-N 248.326 2.382 0 40 BEAB C[C@H](CCN[C@@H]1CCCC1(C)C)[S@](C)=O 90518188 FLFGCNZVTGTPPD-UEKVPHQBSA-N 231.405 2.312 0 40 BEAB O=C1Nc2cc(Cl)cc(C(F)(F)F)c2C1=O 91368485 CNCGTPCOKUTXNC-UHFFFAOYSA-N 249.575 2.494 0 40 BEAB CC(=O)Oc1ccc(C(=O)C(F)(F)F)cc1 91677905 ZUSQIFOBBBRZIR-UHFFFAOYSA-N 232.157 2.357 0 40 BEAB C[C@H](SC[C@H]1CCC[C@@H](C)C1)C(N)=O 92338525 IWXFFWPZXPAOCY-UTLUCORTSA-N 215.362 2.420 0 40 BEAB FC(F)(F)c1ccc([C@@H]2CCNC2)cn1 95762088 FUUYXYQVNUGYQF-MRVPVSSYSA-N 216.206 2.177 0 40 BEAB Cc1nc2ccc3oc(=O)ccc3c2o1 96346801 WHCYHTWMAMGZRU-UHFFFAOYSA-N 201.181 2.243 0 40 BEAB CCn1cnnc1CNC[C@@H]1C(C)=CCC[C@H]1C 97098594 YUBSXKJSLDQTAC-CHWSQXEVSA-N 248.374 2.380 0 40 BEAB CO[C@@H]1CCCC[C@H]1OC(=O)C1CCC1 97404914 VUTNEPGKFVOBSS-GHMZBOCLSA-N 212.289 2.287 0 40 BEAB COC(=O)/C=C(\C)Nc1ccc(C(C)=O)cc1 104129850 VOZGYNAKPWSDJF-CMDGGOBGSA-N 233.267 2.378 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCC(=O)N(C)C1 248840416 PFZHNBLYLGWXGI-WOPDTQHZSA-N 238.375 2.022 0 40 BEAB Cc1cc(N)c(N2C[C@@H](C)O[C@H](C)C2)cc1C 256053362 RDKHDMXDMFSZCX-VXGBXAGGSA-N 234.343 2.499 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)[C@@H]1[C@H]2CNC[C@H]21 263584194 LWULXJSEMSUKBR-JSLGZRHDSA-N 237.387 2.275 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cccc(F)c1F 575361982 XWXPXRWWWJUTHT-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 50682 JEPJAGMRBZWMCT-ZDUSSCGKSA-N 246.310 2.329 0 40 BEAB CC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 60672 ZPZOHCFZAZHHAQ-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB O=C(Nc1ccncc1)OCCc1ccccn1 67714 OFUVMSGETKFUFN-UHFFFAOYSA-N 243.266 2.268 0 40 BEAB NC(=O)Cc1cccc(Cl)c1Cl 1583751 PYQOCSWUJCVOTR-UHFFFAOYSA-N 204.056 2.021 0 40 BEAB O[C@H]1C=C(Br)C2CCC1CC2 1664467 HSCPMSCIFKVODO-IEIXJENWSA-N 217.106 2.446 0 40 BEAB CCCC[C@H](CC)COC(=O)[C@@H](C)O 1688339 FECDACOUYKFOOP-ZJUUUORDSA-N 202.294 2.127 0 40 BEAB Cn1c(/C=C/C(=O)O)cc2ccccc21 1722167 UEWKUVAAIKIGEJ-VOTSOKGWSA-N 201.225 2.276 0 40 BEAB CCCCCc1nnc(NC(C)=O)s1 2490410 LVZDUHNTRKCSKT-UHFFFAOYSA-N 213.306 2.229 0 40 BEAB c1cc(CN2CCC(N3CCCC3)CC2)ccn1 2733960 XQUUCFFKVKGRIV-UHFFFAOYSA-N 245.370 2.142 0 40 BEAB C[C@]12C[C@H](NC(=O)N1)c1cc(Cl)ccc1O2 4852770 PQEUXWPZCHVGEW-KWQFWETISA-N 238.674 2.193 0 40 BEAB C[C@H]([C@H](O)c1ccccc1)N1CCCC1 5019068 FZVHJGJBJLFWEX-YPMHNXCESA-N 205.301 2.204 0 40 BEAB Cc1cc(C)nc(SC(=O)c2ccncc2)n1 5725064 CTTZCPUCEKIWSV-UHFFFAOYSA-N 245.307 2.421 0 40 BEAB NC1(c2ccc3c(c2)OCCO3)CCCC1 7978582 RNMRBEIQJISETM-UHFFFAOYSA-N 219.284 2.186 0 40 BEAB in-vitro CSCC(=O)Nc1nc2c(s1)CCCC2 9647620 KMWWCYKJBHEJKK-UHFFFAOYSA-N 242.369 2.323 0 40 BEAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2O)o1 9669327 LPQBIFUDGPCYHK-ZDUSSCGKSA-N 243.262 2.235 0 40 BEAB Cc1nn(C)cc1CN(C)C(=O)C1CCCCC1 12064983 FQYPVMYTTOLXJW-UHFFFAOYSA-N 249.358 2.267 0 40 BEAB O=C1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 12506037 TWCUMUDCNSLOTN-OKILXGFUSA-N 229.323 2.488 0 40 BEAB Cc1cc(C)c([C@@H](N)CC(=O)O)c(C)c1 19433096 YNZYUBDMSGOFNW-JTQLQIEISA-N 207.273 2.086 0 40 BEAB OC1CCC(Nc2ncccc2Cl)CC1 20022838 NEBLVAIJOWPIFF-UHFFFAOYSA-N 226.707 2.450 0 40 BEAB CCN1CCC[C@@H](Oc2ccccc2N)C1 20351893 PYOLIBDAFLUYTO-LLVKDONJSA-N 220.316 2.132 0 40 BEAB Nc1ccc(SCCO)c(Cl)c1 30714657 LDLPZXZZUBUNQY-UHFFFAOYSA-N 203.694 2.007 0 40 BEAB COc1cccc(C(=O)c2cccnc2)c1 34116665 PQWLVSWJIRPNTL-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB in-vitro CCNC(=O)N1CC[C@H](c2ccccc2)C1 38567309 DXOMGLSOFUYSJV-LBPRGKRZSA-N 218.300 2.205 0 40 BEAB CN(CC(=O)N1CCCCC1)C1CCCCC1 40161795 NBHMJABGBIBNKS-UHFFFAOYSA-N 238.375 2.263 0 40 BEAB Cc1cc(C)c(-n2cccn2)c(C(=O)O)c1 40449002 STICVYKWOBZMBT-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB C[C@@H]1C[C@H]1C(=O)OCc1nc2ccccc2[nH]1 42369217 RJLWBZXNVWPMOW-RKDXNWHRSA-N 230.267 2.262 0 40 BEAB CC(C)Oc1ncccc1NC1CCOCC1 42392151 ZOJIJDJXAVOSTK-UHFFFAOYSA-N 236.315 2.460 0 40 BEAB Cc1nc2ccccc2n1C[C@H]1CCCNC1 43472085 ZBFZJBXGSRCXMM-LBPRGKRZSA-N 229.327 2.344 0 40 BEAB CCN(Cc1nnc(C(C)(C)C)o1)C1CC1 46058943 QXGAELPGCRLAGZ-UHFFFAOYSA-N 223.320 2.351 0 40 BEAB CCN(Cc1nnc(C)o1)c1ccccc1 62639422 RPWOWCZHWHGLPW-UHFFFAOYSA-N 217.272 2.405 0 40 BEAB CCOC(=O)c1ncoc1-c1ccc(N)cc1 72319687 QJLXIUARLYJCRR-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB CC(C)N1CCC[C@H](c2csc(N)n2)C1 72367738 JGUBKXRVTUYDRL-VIFPVBQESA-N 225.361 2.313 0 40 BEAB N[C@H]1CC2(CCOCC2)Oc2ccccc21 74079743 OTXULXLQTUIVQV-NSHDSACASA-N 219.284 2.018 0 40 BEAB C[C@@H](NCC(C)(C)C)[C@@H](C)n1cccn1 75606801 XNTPMMQBVJNHSQ-GHMZBOCLSA-N 209.337 2.468 0 40 BEAB CCc1noc(-c2ccc(C(=O)OC)cc2)n1 84845499 ZEDYJJCOGRSZFM-UHFFFAOYSA-N 232.239 2.086 0 40 BEAB CC(C)[C@H](NC[C@@]1(O)CCOC1)c1ccccc1 91405808 BDSOMIHMGCWCSD-GJZGRUSLSA-N 249.354 2.125 0 40 BEAB COc1cc2[nH]c(=O)c(C=O)cc2cc1Cl 94992627 CHCQKMBNHJJUGQ-UHFFFAOYSA-N 237.642 2.003 0 40 BEAB Cc1ccnc(F)c1I 95932037 SBPHTKVOGNKNCH-UHFFFAOYSA-N 237.015 2.134 0 40 BEAB CC[C@@H](C)N(C)C(=O)c1ccc(C(=O)OC)cc1 95948671 RJHBQSKWHUVYEB-SNVBAGLBSA-N 249.310 2.344 0 40 BEAB c1cnc(N[C@H]2CCOC3(CCCC3)C2)cn1 95970857 IIJRVOMVFSFVIT-NSHDSACASA-N 233.315 2.380 0 40 BEAB Cc1cccc(F)c1NCc1nccn1C 96493875 ZBQJJRJVTKDSGL-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CC[C@@H](COC)Nc1ccc([S@@](C)=O)cc1 97101627 CVHCIELERLTZPJ-QFYYESIMSA-N 241.356 2.261 0 40 BEAB Cc1noc(NCc2cc(C)oc2C)n1 97231826 GUKAALVDVQVXGD-UHFFFAOYSA-N 207.233 2.200 0 40 BEAB CCN1CCCC[C@@H]1C(=O)N[C@H]1CC=CCC1 98012529 RHVORVWTCXKBGG-QWHCGFSZSA-N 236.359 2.086 0 40 BEAB Cc1cc(O)n2ncc(-c3ccccc3)c2n1 100006610 MWXRUCJYTLLVFT-UHFFFAOYSA-N 225.251 2.410 0 40 BEAB CCc1cccc2c(NCCN)cc(C)nc12 222685806 SLTPSAQVXMWIME-UHFFFAOYSA-N 229.327 2.476 0 40 BEAB C[C@H](NC[C@H]1CCCO1)c1ccccc1N 225817111 HSDABBKNINJUIG-WDEREUQCSA-N 220.316 2.098 0 40 BEAB COC1(CNC(=O)C(C)(C)C)CCSCC1 252536178 HTVMBEGCHLKMLA-UHFFFAOYSA-N 245.388 2.061 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)C[C@@H]21 252551061 TWTPKDUTNOWMNE-DBIOUOCHSA-N 212.289 2.143 0 40 BEAB COc1ccc(-n2cc(C3CC3)nn2)cc1F 888107086 ZANJMFDSELDTRF-UHFFFAOYSA-N 233.246 2.292 0 40 BEAB CN1C(=O)C[C@H]2C[C@]1(C)Oc1ccccc12 27946 LFJWBPVQUSINGS-ZANVPECISA-N 217.268 2.131 0 40 BEAB COC(=O)N[C@@H](C)c1ccc(OC)cc1 50994 HJLQECJBWYRCJE-QMMMGPOBSA-N 209.245 2.112 0 40 BEAB Clc1cccc(OCCn2cncn2)c1 236026 BOFNQLMTFTZKDF-UHFFFAOYSA-N 223.663 2.011 0 40 BEAB COC(=O)c1cccc(N)c1CN1CCCCC1 1390714 FSZZRRLGWBCGBV-UHFFFAOYSA-N 248.326 2.041 0 40 BEAB CC(C)c1nnnn1-c1ccc(Cl)cc1 4041141 UWOKEJKMQNULII-UHFFFAOYSA-N 222.679 2.439 0 40 BEAB Cc1nc(C)c(-c2csc(NN)n2)s1 4293991 FJOFQMXZAIFLLD-UHFFFAOYSA-N 226.330 2.169 0 40 BEAB CC(C)(C)NC(=O)C(Cl)(Cl)Cl 4387433 KHSSPZJNBPLHRP-UHFFFAOYSA-N 218.511 2.271 0 40 BEAB CCc1nnc(S)n1-c1ccc(F)cc1F 6395566 CNJHAMGYJKTNDD-UHFFFAOYSA-N 241.266 2.397 0 40 BEAB CN(C)S(=O)(=O)/C=C/c1ccc(Cl)cc1 7374403 YLXOBRULHDHSPM-BQYQJAHWSA-N 245.731 2.202 0 40 BEAB CC(C)CC(=O)N1CCn2c1nc1ccccc12 12537164 JKAMDWWOXFBIHN-UHFFFAOYSA-N 243.310 2.429 0 40 BEAB COCCNC(=O)Cc1ccc2ccccc2c1 12926522 JFJOLXBDSXWXCZ-UHFFFAOYSA-N 243.306 2.145 0 40 BEAB O=C(NC1CC1)c1cc2cc(F)ccc2[nH]1 12946858 IJUDJNJEHICTQD-UHFFFAOYSA-N 218.231 2.199 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1 19840603 SZFJLDUWPWRMKN-ZJUUUORDSA-N 228.336 2.042 0 40 BEAB in-vitro Nc1cccnc1NCc1ccc(F)cc1 20278651 SMVKMUNFPNCOAV-UHFFFAOYSA-N 217.247 2.415 0 40 BEAB C[C@H]1C[C@H](C)CN(c2ncccc2N)C1 20317224 CWNKGXSVOUKHTA-UWVGGRQHSA-N 205.305 2.146 0 40 BEAB Cc1cccc(C(=O)Nc2nc(C)ns2)c1 27740567 QGUZUDGXIISWKU-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB COC(=O)c1cc(OCc2ccccc2)no1 31776845 RONHWSHWVRBGFV-UHFFFAOYSA-N 233.223 2.040 0 40 BEAB Cc1ccc(C(=O)NCc2ccccc2F)cn1 32895858 LOKDHKRDEGVYNB-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB C[C@H]1CN(C(=O)c2cccs2)C(C)(C)CO1 36075957 HNNJDXUMQBZHAW-VIFPVBQESA-N 239.340 2.388 0 40 BEAB Nc1cc(C(=O)O)ccc1NCc1ccco1 37859644 LNHKFLMCPRUAFS-UHFFFAOYSA-N 232.239 2.172 0 40 BEAB CCC[C@H](CC(=O)O)NC(=O)c1ccccc1 39289773 RPIHURPGNGHLBO-LLVKDONJSA-N 235.283 2.060 0 40 BEAB OC1CCN(c2ncccc2C(F)(F)F)CC1 40433459 VTIAUPQSPPEYHS-UHFFFAOYSA-N 246.232 2.062 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1 40457426 SSVHQJDZKYMPPD-CABZTGNLSA-N 221.275 2.140 0 40 BEAB CCOC(=O)C(=O)c1ccc(OC)cc1Cl 42898835 UHALUIKMZWJWAW-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CCc1cccc(NC(=O)N2CCC[C@H](O)C2)c1 43333821 AGTXHRWZPHSKJY-ZDUSSCGKSA-N 248.326 2.238 0 40 BEAB CCCCNC(=O)CCc1c(C)noc1C 44998009 CQHKSAVQLNCBNK-UHFFFAOYSA-N 224.304 2.140 0 40 BEAB O=C1C[C@H](c2ccc(Br)cc2)CN1 48981154 JHTJSUCXKXNRAX-QMMMGPOBSA-N 240.100 2.053 0 40 BEAB O=C1CCC(CO)(c2ccccc2)CC1 66055206 LNDAAGLXLPQHRH-UHFFFAOYSA-N 204.269 2.060 0 40 BEAB C[C@H]1C[C@H](N(C)CC2CCCCC2)C(=O)O1 69416468 FMQHDMFGLUNFGX-JQWIXIFHSA-N 225.332 2.203 0 40 BEAB O=C1OCC[C@H]1N[C@@H](c1ccccc1)C1CCC1 69492646 IZMJJSKCWHQUQA-KGLIPLIRSA-N 245.322 2.433 0 40 BEAB CS[C@@H]1CCC[C@H]1N(C)C(=O)NC1CC1 76092169 KHIOEEVGRLXWQS-NXEZZACHSA-N 228.361 2.074 0 40 BEAB O=C(O)c1cc(Br)c(Cl)o1 82292728 KPPRJSMXWYQMET-UHFFFAOYSA-N 225.425 2.394 0 40 BEAB c1nc(NC2CCCC2)c2cc[nH]c2n1 82358953 FJIBLUQHUALCKA-UHFFFAOYSA-N 202.261 2.312 0 40 BEAB Cc1nc(-c2nc(C3CC3)n[nH]2)cs1 83575541 VFMKPWZTWVCQAL-UHFFFAOYSA-N 206.274 2.114 0 40 BEAB COC(=O)[C@](C)(c1ccccc1)N1CCCC1 85393483 URPRBXXQUWMKRX-AWEZNQCLSA-N 233.311 2.171 0 40 BEAB CCSC[C@@H](C)N(C)c1nnc(C)s1 89275220 JCGMLLLSZNMGEF-SSDOTTSWSA-N 231.390 2.424 0 40 BEAB Cc1nccn1C[C@H](C)CSc1ncccn1 89735553 FYTKEZKFDROLGA-JTQLQIEISA-N 248.355 2.410 0 40 BEAB COc1ccc2cc(F)c(C(=O)O)nc2c1 90548432 IHHNFZFVXQSZBO-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB COc1ccc([C@@H](O)c2cccn2C)c(OC)c1 95727733 QJUHDKUDCRGIDF-CQSZACIVSA-N 247.294 2.124 0 40 BEAB CCO[C@H]1C[C@@H](Nc2cnccn2)C12CCC2 96429659 LKBVWDNRTBOBSG-MNOVXSKESA-N 233.315 2.236 0 40 BEAB O=Cc1cccn1-c1ncc(Cl)s1 97673641 WQWDJHZTPKXDGL-UHFFFAOYSA-N 212.661 2.400 0 40 BEAB CCOC(=O)/C=C\C1CCC2(CC1)OCCO2 214421957 LBCIUUCNJXGWHX-ARJAWSKDSA-N 240.299 2.039 0 40 BEAB CCOc1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)OC)cc1 217821472 CZERNZFLRWFAKA-NEPJUHHUSA-N 248.278 2.077 0 40 BEAB CCCCNC(=O)c1cc(N)c(N)cc1Cl 225728577 ZQENIKNANOFNAA-UHFFFAOYSA-N 241.722 2.034 0 40 BEAB OC1(Cc2ccc(Cl)c(F)c2)CCNCC1 236469923 LKNDBYZQDXKYOJ-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CCCCCCNCc1c(C)cnn1C 256050962 HEVBUWDWYYSGDO-UHFFFAOYSA-N 209.337 2.398 0 40 BEAB CCCn1cc(CNc2cc(C)nn2C)c(C)n1 256054897 YFYSCRSXGOPRBL-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB Cc1nc(C)c(CN2CCCC[C@H]2CO)s1 336627456 VSRRHHMAYHGKKK-NSHDSACASA-N 240.372 2.107 0 40 BEAB c1ccc2c(c1)CC(Oc1cnccn1)C2 585654071 CJRAUCMVTHXZQN-UHFFFAOYSA-N 212.252 2.023 0 40 BEAB CC(C)(C)CC(=O)N1CC(Oc2ccncc2)C1 589987812 JEZBLKRPCWOENS-UHFFFAOYSA-N 248.326 2.107 0 40 BEAB CC1(C)C(=O)Nc2cnc(Br)cc21 952959252 HXXMGRNVKZMJDV-UHFFFAOYSA-N 241.088 2.074 0 40 BEAB O=C(NC1C[C@H]2CCC[C@H](C1)N2)c1ccccc1 1371938 WYWOKTMOHGMQKP-CHWSQXEVSA-N 244.338 2.090 0 40 BEAB CCOC(=O)C[C@@H](N)c1cnc2ccccc2c1 2511927 LHXLIPYYKOVEJT-GFCCVEGCSA-N 244.294 2.188 0 40 BEAB CCn1nccc1CNCc1ccc(OC)cc1 2536114 QEQYJBANWXWLAI-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB O=C(O)[C@@H](Sc1ccncn1)c1ccccc1 3163594 SMPGUHPUSPHKGC-NSHDSACASA-N 246.291 2.395 0 40 BEAB CCC(C)(C)C1CCC2(CC1)NC(=O)NC2=O 4218978 PTMDUDZKTQCJTN-UHFFFAOYSA-N 238.331 2.191 0 40 BEAB CC(=O)[C@@]1(C)SC(c2ccccc2)=NC1=O 4964085 MIIHWXZPOUSCOB-GFCCVEGCSA-N 233.292 2.054 0 40 BEAB COc1cc2c(cc1O)CCCC[C@H]2O 5369146 JOHVKKWWCVUTAR-SNVBAGLBSA-N 208.257 2.161 0 40 BEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 5415926 IBSOYLYNWMVOEX-LLVKDONJSA-N 241.356 2.318 0 40 BEAB O=C(Nc1cccc2ncccc12)[C@@H]1CCCO1 5770069 GGNKQRLCIGPBLB-ZDUSSCGKSA-N 242.278 2.352 0 40 BEAB COc1cccc(NC(=S)NC(C)C)c1 7521808 RVWQFGKFTUNQCE-UHFFFAOYSA-N 224.329 2.390 0 40 BEAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C2CC2)c1C 8729242 YMIMSKLBCCHNBU-QMMMGPOBSA-N 248.326 2.362 0 40 BEAB O=C(Nc1ccc2c(c1)OCCCO2)C1CC1 10216225 YSYOQQDEKIVNPE-UHFFFAOYSA-N 233.267 2.196 0 40 BEAB CCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 16400551 BKADZQMMFGCDLU-PHIMTYICSA-N 213.321 2.203 0 40 BEAB CCN(CC)CCN1C[C@H]2CCCC[C@@H]2C1 19366868 LDWNBSDGQACSSP-ZIAGYGMSSA-N 224.392 2.450 0 40 BEAB Nc1nn(C2CCCC2)cc1Br 20313662 UBTYDZIXRUQARY-UHFFFAOYSA-N 230.109 2.343 0 40 BEAB O=C(Nc1nccs1)c1noc2c1CCCC2 20534696 NMYUANZKQFRHKJ-UHFFFAOYSA-N 249.295 2.262 0 40 BEAB CC(=O)Nc1c(C(=O)O)[nH]c2cccc(C)c12 22864477 KSHJOWRQVHDLSU-UHFFFAOYSA-N 232.239 2.133 0 40 BEAB Cc1ccc(OCc2ncc(C(=O)O)cn2)cc1 26505774 CBGBJIKUAIWCQH-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB N[C@H]1CCCN(CC2(c3ccccc3)CC2)C1 31993160 DFNMHQPGVJYFLL-AWEZNQCLSA-N 230.355 2.141 0 40 BEAB CN1c2ccccc2C(=O)NC12CCCC2 32666146 XUEVLQNGPFYJCF-UHFFFAOYSA-N 216.284 2.137 0 40 BEAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC1 32731933 LKNNVCFMYKIUKM-UHFFFAOYSA-N 237.274 2.215 0 40 BEAB O=C(CNCC1CCC1)Nc1ccccc1F 37180640 IFXQBAHHUUYTQH-UHFFFAOYSA-N 236.290 2.154 0 40 BEAB CN[C@@H](C(=O)O)c1ccccc1C(F)(F)F 37181109 MXHDCYQZOMUTHP-MRVPVSSYSA-N 233.189 2.051 0 40 BEAB in-vitro CC(C)(C)OC(=O)CN1C=CC(=CN=O)C=C1 38198008 BHOBYIRRWXOBAP-UHFFFAOYSA-N 236.271 2.321 0 40 BEAB COc1ccccc1-c1ocnc1C(=O)O 41232230 PTHBAOOFQQJWPK-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB CCN(CC)C[C@@H](C(=O)O)c1ccccc1 41237468 HCXZTSRVNFVFBL-GFCCVEGCSA-N 221.300 2.197 0 40 BEAB COc1ccc(C(C)(C)C(=O)N(C)C)cc1 41500613 GPIDDFHPWOICAK-UHFFFAOYSA-N 221.300 2.061 0 40 BEAB COc1ncccc1C(=O)NCc1cccs1 44442811 PGEIITUJAUTLSJ-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB Cc1cc(CN(C)C(=O)Nc2cccnc2)no1 44914597 BHHDWKBHFIAESI-UHFFFAOYSA-N 246.270 2.042 0 40 BEAB OC1(c2ccc3ccccc3c2)CCNCC1 55193338 FYBSDMFIETWQGG-UHFFFAOYSA-N 227.307 2.411 0 40 BEAB CN(C(=O)Nc1cccc(F)c1)C1CC1 58393611 SPDWIZZMGFESKW-UHFFFAOYSA-N 208.236 2.452 0 40 BEAB Nc1nc(-c2cccnc2)cc(-c2ccco2)n1 62710310 GVLOVSLTOLNKMM-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB CCc1nc(CCNc2cccc(OC)c2)n[nH]1 62719242 JPIABUQMXDUFBH-UHFFFAOYSA-N 246.314 2.030 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCOC2)cc1F 69314038 FLHZEKIJOBHISU-VIFPVBQESA-N 223.247 2.109 0 40 BEAB N=C(N)SCc1ccc(F)cc1F 71980730 SHCFYUIICQEVGD-UHFFFAOYSA-N 202.229 2.091 0 40 BEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1 72115984 RDILLAQQPURFJL-WCQGTBRESA-N 207.317 2.481 0 40 BEAB CC(=O)Nc1cc(Cl)c(Cl)cn1 72529720 QUCZTMODPVWPBK-UHFFFAOYSA-N 205.044 2.347 0 40 BEAB CC(=O)Nc1cccc([C@@H]2CCCNC2)c1 75905302 KQUGDJVAYUVALZ-GFCCVEGCSA-N 218.300 2.112 0 40 BEAB COc1cc2sc(C(=O)O)nc2cc1F 79047696 XTVNTNKBXWSLTD-UHFFFAOYSA-N 227.216 2.142 0 40 BEAB CCOc1ccc(/C=C/C(=O)O)cc1CN(C)C 83292355 AHENHTSYWMUMEB-SOFGYWHQSA-N 249.310 2.245 0 40 BEAB COc1ccc(C2([C@@H](C)O)CC2)cc1OC 84420468 HCKKQFXSFQCDCT-SECBINFHSA-N 222.284 2.116 0 40 BEAB COC[C@@H](C)Nc1cncc(Br)c1 84640436 IDKPZYGOZMWVBE-SSDOTTSWSA-N 245.120 2.291 0 40 BEAB O=C(O)Cc1cccc(NC(=O)C2CC=CC2)c1 87844766 UMTRGFFSFMVZPF-UHFFFAOYSA-N 245.278 2.218 0 40 BEAB COc1ccc2ncc(Cl)nc2c1OC 95097336 PXFZAQDVDRAFMP-UHFFFAOYSA-N 224.647 2.300 0 40 BEAB Clc1ccccc1CN1CC[C@@H]2O[C@@H]2C1 95097773 YWJBKBIXBSXBHX-NWDGAFQWSA-N 223.703 2.313 0 40 BEAB C[C@H](N[C@H](C)CCn1cncn1)c1ccco1 95419475 UGGJFTJDZVOQAP-MNOVXSKESA-N 234.303 2.001 0 40 BEAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1Cc1ccccc1 95483164 KCSZGLKFTDCMAL-CHWSQXEVSA-N 243.306 2.362 0 40 BEAB S=C1N[C@H]2c3ccccc3O[C@@]3(CCC[C@H]23)N1 106811925 YXZRFJLFCAQZSY-SUZMYJTESA-N 246.335 2.094 0 40 BEAB O=C(OCc1cncs1)c1ccc(F)cn1 122274990 LDZJQLKMULWDCN-UHFFFAOYSA-N 238.243 2.034 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)c1ncc(F)cn1 214731020 HNXHBDFOMABPAW-SSDOTTSWSA-N 241.266 2.201 0 40 BEAB CN(C)c1ccc([Si](C)(C)C)c(Cl)n1 219789896 RUECISRPQNSMLM-UHFFFAOYSA-N 228.799 2.346 0 40 BEAB CCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224826788 JXZQKFQFWFVTEU-LLVKDONJSA-N 247.338 2.469 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@@H]3[C@H]([C@H]12)C3(C)C 225364289 OQKJKCCRSOBXLL-CDWXYHGHSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro COCCc1ccc(C(=O)OC)n1C(C)C 226030683 OKXZTUWTEOTECM-UHFFFAOYSA-N 225.288 2.045 0 40 BEAB CCOc1cccc2c1NC(=O)C2(F)F 242677100 SYPMQJJOMQIWED-UHFFFAOYSA-N 213.183 2.129 0 40 BEAB CN(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257270531 MUQHOHPPNYKXCM-CQSZACIVSA-N 246.354 2.034 0 40 BEAB COC(=O)c1cccc2sc(C(=O)O)cc12 1535640717 UZMZJQNQJIGNEV-UHFFFAOYSA-N 236.248 2.386 0 40 BEAB FC(F)CN1CC(OCc2ccccc2)C1 1775994906 PVFCZTSDOIJJJR-UHFFFAOYSA-N 227.254 2.153 0 40 BEAB CCCc1sc2ncnc(NN)c2c1C 303282 VGOCTLCWPUURNW-UHFFFAOYSA-N 222.317 2.238 0 40 BEAB COc1ccc([C@@H]2N[C@@H]2c2ccccn2)cc1 1611068 VATZVHGGTGXNAX-UONOGXRCSA-N 226.279 2.476 0 40 BEAB Nc1ccc(-c2ccc(C(=O)O)s2)cn1 2458589 LIUNTKAXHWHUDL-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB in-vitro OC1(c2ccc3[nH]ccc3c2)CCOCC1 2526987 BLANPKHHDVIMSA-UHFFFAOYSA-N 217.268 2.166 0 40 BEAB Cc1nc(NC(=O)C(F)(F)F)sc1C 2741545 GTRNVMPYCOJCDN-UHFFFAOYSA-N 224.207 2.261 0 40 BEAB Cc1cc(-c2ccccc2)nc2cc(O)nn12 4218685 YHPLVWUWPHQOAW-UHFFFAOYSA-N 225.251 2.410 0 40 BEAB in-vitro NC(=O)c1cnccc1/C=C\c1ccccc1 4896371 NJYVZKYKDVQUAH-SREVYHEPSA-N 224.263 2.351 0 40 BEAB CC(=O)[C@]1(O)C[C@H]2CCC3=C(CCC(=O)C3)[C@@H]2C1 4991460 NKGSERXUBLTSHZ-DFBGVHRSSA-N 248.322 2.176 0 40 BEAB O=C(O)C[C@H]1CCCc2ccccc2C1=O 5699701 PYYIEBMODWJEII-SNVBAGLBSA-N 218.252 2.297 0 40 BEAB COc1cccc(CN2CCCC2)c1OC 6248766 GJTXGUHDXBKTNT-UHFFFAOYSA-N 221.300 2.300 0 40 BEAB O=C(O)[C@@H](O)c1ccc(Cl)c(Cl)c1 8580263 TZCCKRXYTBHLMH-ZETCQYMHSA-N 221.039 2.111 0 40 BEAB in-vitro CC(C)C(=O)NCCc1ccc(N(C)C)cc1 11693620 NMGOAFVKXAZSTK-UHFFFAOYSA-N 234.343 2.067 0 40 BEAB CCCC[C@](N)(Cc1ccccc1)C(=O)OC 22114019 MTNJHLZOCXMYHU-AWEZNQCLSA-N 235.327 2.290 0 40 BEAB COc1ccc(NC(=O)Nc2ccn(C)n2)cc1 27915656 PNGIYQKELRDPPB-UHFFFAOYSA-N 246.270 2.073 0 40 BEAB CC[C@@H](C)NC(=O)CCc1cn(CC)nc1C 28576859 BZMTZOHCOUSXBP-SNVBAGLBSA-N 237.347 2.059 0 40 BEAB CCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 32768135 WMQZZYADZSJOTQ-MFKMUULPSA-N 233.311 2.295 0 40 BEAB CN(C)c1ccc(C(=O)NC2CCCCC2)cn1 32815616 MDDHCEXRYJPDMH-UHFFFAOYSA-N 247.342 2.210 0 40 BEAB CN(C(=O)[C@@H]1CCCO1)[C@H]1CCc2ccccc21 32905635 VGTZOVPZYUVKOL-KBPBESRZSA-N 245.322 2.311 0 40 BEAB CC(C)(C)c1cc(NC(=O)C2CC2)[nH]n1 34067809 VBFMNGSQOXZLQI-UHFFFAOYSA-N 207.277 2.056 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)C(F)(F)F 34483672 MYNSYJHFPQPYDV-YFKPBYRVSA-N 241.209 2.031 0 40 BEAB CCOC(=O)C1(Br)CCCC1 34527797 HKNNXQUAMZHIER-UHFFFAOYSA-N 221.094 2.257 0 40 BEAB Fc1cnc(Br)c2[nH]ccc12 34853399 SDXWLGHHUDAXOP-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CCOCCNCc1ccc(F)cc1F 36228599 FUMABICQKJOHOR-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB C=CC(=O)N[C@@H](C)Cc1c(F)cccc1F 37790110 ZLCKYHNLGMTHPK-QMMMGPOBSA-N 225.238 2.198 0 40 BEAB CCN(CCO)C(=O)CCC1CCCCC1 37854148 SSJHBUXMPLCBMA-UHFFFAOYSA-N 227.348 2.188 0 40 BEAB Cc1n[nH]cc1CNc1ncnc2ccsc12 38012002 HWZZUVNYPNAANB-UHFFFAOYSA-N 245.311 2.335 0 40 BEAB O=C(CSc1ccc(O)cc1)N1CCCC1 38078738 XRTGEUKUEYZKDX-UHFFFAOYSA-N 237.324 2.107 0 40 BEAB CC[C@H](C(=O)O)N1CCCc2ccccc2C1 62944875 ZOYJSWDLPONMSC-CYBMUJFWSA-N 233.311 2.298 0 40 BEAB NC(=O)c1ccc(C(F)(F)F)c(Cl)c1 71867278 CESRVVBRBOSGJG-UHFFFAOYSA-N 223.581 2.458 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cc(C)ccn1 72211180 YMKWQAFQFZGMKO-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB c1cncc(CN2CCC[C@@H]2c2cc[nH]n2)c1 72381588 DUENQEHXHAPZAA-CYBMUJFWSA-N 228.299 2.142 0 40 BEAB CCN(C[C@@H]1CCCNC1)C(=O)OC(C)(C)C 79437607 LXQBAFPDAGXQOB-LLVKDONJSA-N 242.363 2.243 0 40 BEAB CCOCC(=O)NCC1(CC(C)C)CCC1 89986648 BVGZJSDEOMZWLT-UHFFFAOYSA-N 227.348 2.356 0 40 BEAB CC(C)(C)OC(=O)N1CC(=O)c2ccoc2C1 91304679 PUYNQPOQXPJXPG-UHFFFAOYSA-N 237.255 2.213 0 40 BEAB Cc1ccnc(N2C[C@@H]3CC=CC[C@H]3C2)n1 95403293 LUDGTJPRFHDHSF-RYUDHWBXSA-N 215.300 2.187 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCc1ccccc1 95775701 LATNVBUKYCPGPI-OLZOCXBDSA-N 204.317 2.046 0 40 BEAB O=C1CC[C@H](C(=O)OCc2ccccc2)C1 95936430 UJDODTGHYKJEAA-NSHDSACASA-N 218.252 2.099 0 40 BEAB O=C(c1ccncc1F)N1CCC2(CC1)CC2 96051083 HVUIUXSPDGFQKR-UHFFFAOYSA-N 234.274 2.237 0 40 BEAB CNC(=O)CSC[C@@H](C)c1ccccc1 96496223 ZZWSFJUIYYTLEG-SNVBAGLBSA-N 223.341 2.269 0 40 BEAB CC[C@@H]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228308 KPHBFEWYDGQDKB-YVECIDJPSA-N 209.333 2.092 0 40 BEAB CCOC(=O)c1coc(Cc2ccccc2)n1 138061215 GNJUPYRXOKGCIU-UHFFFAOYSA-N 231.251 2.442 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCC(=O)N(C)C1 192391427 PFZHNBLYLGWXGI-UTUOFQBUSA-N 238.375 2.022 0 40 BEAB CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccco1 206861823 YJEOZLQIUXOPRM-WCQYABFASA-N 249.310 2.440 0 40 BEAB NC[C@@H](F)c1cccc(Br)c1 211947961 CWAHHQSCBWJANH-MRVPVSSYSA-N 218.069 2.418 0 40 BEAB CCOCCCNC(=O)N[C@H]1CCC[C@@H](C)C1 390835628 SSZIPQMAOJWDMK-NEPJUHHUSA-N 242.363 2.291 0 40 BEAB CO[C@@H]1CN(C(=O)CSC(C)C)CC[C@H]1C 527135253 WJJQDDRBGGMCLH-GHMZBOCLSA-N 245.388 2.011 0 40 BEAB O=C(NC[C@@H](O)c1ccccc1)c1cccs1 152705 SODWLFGVFNKBBJ-LLVKDONJSA-N 247.319 2.212 0 40 BEAB O=C(O)c1cccnc1SCc1cccnc1 215843 DNXRXSASNXULIF-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB COc1ccc(-c2c(C)noc2N)cc1OC 333567 IUVRYZMIQWZZNS-UHFFFAOYSA-N 234.255 2.249 0 40 BEAB Cc1ccc(N2NC(C)(C)NC2=S)cc1C 1441816 FOSKZVPFYBOAMF-UHFFFAOYSA-N 235.356 2.239 0 40 BEAB Cc1ccc(C(=O)CCN(C)C)c(C)c1 1591168 JQXIFTSJWSBJSP-UHFFFAOYSA-N 205.301 2.438 0 40 BEAB CCCCCOC(=O)Nc1ncccn1 1656230 NJXRQBWYJKTJGY-UHFFFAOYSA-N 209.249 2.215 0 40 BEAB C[C@@H](CC(=O)O)Cc1ccc2c(c1)OCO2 2043317 QCIUIFDTJVPNHU-MRVPVSSYSA-N 222.240 2.069 0 40 BEAB Cc1ccc(C(N)=O)c(C(F)(F)F)c1 2382164 CPRZFVYISWTZLT-UHFFFAOYSA-N 203.163 2.113 0 40 BEAB Cc1cc(C(=O)NC[C@H]2CCCO2)sc1C 2731324 DUTXUNRWJZUIDB-SNVBAGLBSA-N 239.340 2.274 0 40 BEAB FC(F)(F)c1cccc(N[C@@H]2CCNC2)c1 4245568 DMVUUNJOQCZRGM-SNVBAGLBSA-N 230.233 2.479 0 40 BEAB CC(C)CNC1=CC(=S)NC(C)(C)C1 5715930 SUIGBYAARRQAMV-UHFFFAOYSA-N 212.362 2.215 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O 8473748 LDLKSTRLCYRBDW-IJLUTSLNSA-N 248.278 2.356 0 40 BEAB CCCOc1ccc(Nc2nncc(O)n2)cc1 8997307 JVXWNCNIWCJRRA-UHFFFAOYSA-N 246.270 2.110 0 40 BEAB CCOc1ccccc1OC[C@@H]1CCCNC1 14631171 UQUOUCIJKBLYMF-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB O=C(Nc1cccc(F)c1)Nc1nncs1 27931625 VLFSCZRDCKZSLI-UHFFFAOYSA-N 238.247 2.321 0 40 BEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1F 32983368 OCRYRBJMHLRCEV-BXKDBHETSA-N 237.274 2.182 0 40 BEAB CCc1cc(=O)c2cc(NC(C)=O)ccc2[nH]1 34521575 BHRDCQPYDQMDND-UHFFFAOYSA-N 230.267 2.049 0 40 BEAB CN1CCC=C(c2cccc(Cl)n2)C1 39158080 ZBOFNPQOXYURQT-UHFFFAOYSA-N 208.692 2.454 0 40 BEAB COc1ccc(OC)c(-c2nc(CN)c(C)o2)c1 39321179 MTVJSDAJWAPZJP-UHFFFAOYSA-N 248.282 2.126 0 40 BEAB CC(=O)c1ccc(OC2CCOCC2)cc1 40993293 JMQNESXNIBJRFH-UHFFFAOYSA-N 220.268 2.447 0 40 BEAB in-vitro CC(=O)N1CCO[C@H](c2ccccc2Cl)C1 41172458 BAOUZUHTPNNJFB-LBPRGKRZSA-N 239.702 2.260 0 40 BEAB CC(C)(C)[S@](=O)CC(=O)c1ccccc1 44139383 JIEZAUAAJPHAJV-HNNXBMFYSA-N 224.325 2.417 0 40 BEAB CCc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)o1 46437208 WLRMJTPTUDAEKF-VHSXEESVSA-N 237.299 2.091 0 40 BEAB COC(=O)c1ccoc1CN1CCCC[C@H]1C 55255745 AOENKAQZAYYPAE-SNVBAGLBSA-N 237.299 2.441 0 40 BEAB C[C@H](O)[C@H]1CNc2cc(Br)ccc21 57219133 BERTXOJABVEMKO-IMTBSYHQSA-N 242.116 2.339 0 40 BEAB CCc1noc(CN(CC)C2CCCC2)n1 65564758 DZZNDJWRXKLLSN-UHFFFAOYSA-N 223.320 2.397 0 40 BEAB O=C1OCCN1CCSc1ccc(F)cc1 69453021 OJFDYRWZPHAEAL-UHFFFAOYSA-N 241.287 2.370 0 40 BEAB O=C(O)Cc1ccc(O)c2ccccc12 71450960 KZLJZTJKEGCVJJ-UHFFFAOYSA-N 202.209 2.173 0 40 BEAB NCc1c(Br)ccc(F)c1F 75844818 MUGJYCHTWYPWLZ-UHFFFAOYSA-N 222.032 2.186 0 40 BEAB CNCc1nc2ccc(C(F)(F)F)cc2[nH]1 76043939 PAPGKGQRIPIDJF-UHFFFAOYSA-N 229.205 2.301 0 40 BEAB O=C(O)C1CCC(N2CCCCC2)CC1 79272612 FIPQXTGMVOCSEE-UHFFFAOYSA-N 211.305 2.116 0 40 BEAB O=C1Cc2c(Br)ccc(F)c2N1 84193882 QMTQFUFNWYQCGN-UHFFFAOYSA-N 230.036 2.083 0 40 BEAB Cc1cc(NC(N)=O)c2ncccc2c1 92147906 VOGLZAYYEDUSHI-UHFFFAOYSA-N 201.229 2.034 0 40 BEAB Cc1ccc2c(c1C)OC/C2=C\C(=O)O 94993393 APHWYPTVDBHNQG-WEVVVXLNSA-N 204.225 2.164 0 40 BEAB C[C@@H]1SCCN(C(N)=O)[C@H]1c1ccccc1 95960286 VQTPZQUOSPWKSB-GXSJLCMTSA-N 236.340 2.244 0 40 BEAB Cc1nc(CN2CC[C@@]3(CCOC3)C2)cs1 96051047 NYWZIRJVGCONDF-GFCCVEGCSA-N 238.356 2.064 0 40 BEAB Cc1nsc(C(=O)N(C)Cc2ccccc2)n1 96098435 YWNKNGNXPYFCEK-UHFFFAOYSA-N 247.323 2.119 0 40 BEAB Nc1nc(-c2ccc(F)cc2)ccc1C(=O)O 96517628 NLGMEFGMVGQVES-UHFFFAOYSA-N 232.214 2.168 0 40 BEAB C[C@@H](Nc1cnn(C)c1)c1cccc(CO)c1 97378991 LMRKSPGHLSSHDB-SNVBAGLBSA-N 231.299 2.086 0 40 BEAB COCCN1C[C@@H](C)[C@@H]1c1ccccc1 108093295 SOYYRQOYUDFRHQ-DGCLKSJQSA-N 205.301 2.326 0 40 BEAB COc1ccc(N[C@@H]2CCCC[C@H]2N)cc1 145191785 DHUWBPYQXYJHQL-CHWSQXEVSA-N 220.316 2.377 0 40 BEAB C[C@@H](CS[C@@H]1CCNC1=O)c1ccccc1 183330473 OGOVVNNJGDIFGG-CMPLNLGQSA-N 235.352 2.412 0 40 BEAB Cc1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)cn1 205687844 IZMWAZUEQDMLAX-CYBMUJFWSA-N 242.326 2.103 0 40 BEAB C[C@]1(CCC(=O)O)[C@H]2CC[C@@]1(C)[C@@H](O)C2 216342485 KXIHOSNFVBVESP-QSFUFRPTSA-N 212.289 2.038 0 40 BEAB CC(C)Oc1cc(C(=O)O)n(-c2ccccc2)n1 218292416 SDQKIHMBQHQXQY-UHFFFAOYSA-N 246.266 2.358 0 40 BEAB COc1ncccc1NC(=S)NC(C)(C)C 223881691 DSAKJWAVLDXHRR-UHFFFAOYSA-N 239.344 2.175 0 40 BEAB CC(C)(c1nc(C2CCC2)no1)n1cccn1 664752981 DWXVINZRFDFVET-UHFFFAOYSA-N 232.287 2.317 0 40 BEAB O=S=C1S[C@H]2CCCC[C@@H]2S1 1603980 MRCSZCZWJWNTQV-WDSKDSINSA-N 206.357 2.078 0 40 BEAB CCCCOC(=O)c1ccccc1C=O 1689234 AZWJTZCAPKRKSE-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB biogenic Cc1ccc(NC2(C(N)=O)CCCC2)cc1 1683935 UXXPTFCUOYLRIU-UHFFFAOYSA-N 218.300 2.205 0 40 BEAB C[n+]1ccc(CCC(=O)Nc2ccccc2)cc1 1749640 XZXXXRXTOYVDAD-UHFFFAOYSA-O 241.314 2.082 0 40 BEAB Nc1nn(C(=O)c2ccccc2)c2ccccc12 40513505 JBOAALUZPTYNQP-UHFFFAOYSA-N 237.262 2.307 0 40 BEAB CCCCOC(=O)[C@H](C)OC(=O)OCCC 2041779 PQBXRACZRRKSHV-VIFPVBQESA-N 232.276 2.281 0 40 BEAB Nc1ccc(F)cc1-c1nc(C2CC2)no1 21036284 NWBFUGRXSUCCTO-UHFFFAOYSA-N 219.219 2.335 0 40 BEAB in-vitro CC1=Cc2ccccc2[C@H]1N[C@@H](C)C(=O)O 8730580 MTKZXMLVZXNZJB-CABZTGNLSA-N 217.268 2.207 0 40 BEAB Nc1cc[n+](CCCc2ccccc2)cc1 480070 MJEYHYMOGPGIDV-UHFFFAOYSA-O 213.304 2.189 0 40 BEAB Nc1noc(-c2cccc(Br)c2)n1 82328040 RCCBEGRSMLEUFD-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB Cc1nc2ccccc2n1-c1ccc(N)cn1 12398985 CQIWVCANHIOQBC-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB Cc1c(NC(=O)C(C)C)cccc1C(=O)O 57351981 GWQMXYQWFMLBJH-UHFFFAOYSA-N 221.256 2.288 0 40 BEAB Cc1ccccc1/C=C1/SC(=O)NC1=O 3029884 PWNAVEGPVDNSIM-RMKNXTFCSA-N 219.265 2.319 0 40 BEAB CCn1c(-c2ccc(F)cc2)cnc1N 22130281 SYVOZWRJVMKXLT-UHFFFAOYSA-N 205.236 2.291 0 40 BEAB COc1cc(OC)c([C@H](C)O)cc1Cl 12506383 IMTBCHYABOCEOK-LURJTMIESA-N 216.664 2.411 0 40 BEAB in-vitro CCN(CC)[C@@H](CN)c1cccc(F)c1 22172296 RSVDJBPUBHVGLL-LBPRGKRZSA-N 210.296 2.167 0 40 BEAB O=C(O)CSC[C@H]1CCCN2CCCC[C@H]12 107044978 ILNNSEOHNOANCC-GHMZBOCLSA-N 243.372 2.069 0 40 BEAB CC[C@H]1CCCCN1Cn1ncn(C)c1=S 3258030 JCNYQOWOBBKXFK-JTQLQIEISA-N 240.376 2.173 0 40 BEAB COc1ccc(CNc2ncccn2)cc1OC 3330509 PIUVSHNQWMARJD-UHFFFAOYSA-N 245.282 2.106 0 40 BEAB CC(C)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 16125355 NPZQBWOKRKDZQZ-JTQLQIEISA-N 227.304 2.221 0 40 BEAB O=C(NC1CC1)c1cc(Cl)ccc1F 12973027 VFAFMNLOCWOKPH-UHFFFAOYSA-N 213.639 2.371 0 40 BEAB C[C@@H]([C@@H](O)c1ccccc1)N1CCCC1 5019070 FZVHJGJBJLFWEX-WCQYABFASA-N 205.301 2.204 0 40 BEAB COc1ccc(NC(=O)c2ccccc2)cn1 5199233 AUEUZSXCDHBGAR-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CCCNC(=O)CN(C)[C@H](C)c1ccccc1 66561106 UHDHOWQEZSWZQA-GFCCVEGCSA-N 234.343 2.206 0 40 BEAB Cc1[nH]ncc1CCCN[C@H]1CCC[C@@H]1C 83391135 PAHRWGZBVBGBER-GWCFXTLKSA-N 221.348 2.429 0 40 BEAB CCOC(=O)c1nc(OCC)c2ccccc2n1 96236476 SGVPNIAZAFXJSQ-UHFFFAOYSA-N 246.266 2.205 0 40 BEAB CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 71908046 YKLZPNIUYQIPBG-CHWSQXEVSA-N 239.359 2.450 0 40 BEAB COc1ccnc(CN2CCCSCC2)c1 97086164 TZGHHHJYIJXXOU-UHFFFAOYSA-N 238.356 2.029 0 40 BEAB Clc1cnc(NCc2ccncc2)nc1 95416420 VWORLAGTCJRHDA-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB Cc1cc(F)cc(NCc2nccn2C)c1 85729514 IBKMYBCAIMXYKF-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CCOC(=O)C1=C(N)C=C[C@H]1c1ccccc1 25953060 NLCKMKWFFMMAMM-NSHDSACASA-N 229.279 2.116 0 40 BEAB N=C(N)Sc1ccc(C(F)(F)F)cn1 32191128 ITTNCZLSOPPZPB-UHFFFAOYSA-N 221.207 2.086 0 40 BEAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnoc1 75170839 ADGVNVKGHYNNTP-SECBINFHSA-N 232.239 2.081 0 40 BEAB CC[C@@H]1CCCN(C(=O)c2ccc(CN)cc2)C1 36168634 FYYQMRUODPCXMQ-GFCCVEGCSA-N 246.354 2.408 0 40 BEAB Cc1cc([C@H](N)c2ccccc2)cnc1O 72222723 YZDDVINNUUKRHQ-GFCCVEGCSA-N 214.268 2.144 0 40 BEAB Cn1c(C(=O)n2cccn2)cc2ccccc21 82272227 LZNOMETVOVSOEO-UHFFFAOYSA-N 225.251 2.063 0 40 BEAB Nc1cc(-c2cccc(Br)n2)no1 44608011 IQULUYQVEPNFOD-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB Nc1cnc2[nH]c(C(F)(F)F)cc2c1 85221071 CEANZCNGGYHXCA-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB COCC(C)(C)N(Cc1ccccc1)C(C)=O 195577946 SNAZVXRZPAPEDL-UHFFFAOYSA-N 235.327 2.460 0 40 BEAB CS(=O)(=O)CCCCc1ccccc1 140990117 FMSIGPSIFSNYID-UHFFFAOYSA-N 212.314 2.054 0 40 BEAB NC1(c2cccc(C(F)(F)F)n2)CC1 91691819 QAFABCRJBVXFFJ-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB NC(=O)C(=S)Nc1ccc(Cl)c(Cl)c1 98175475 RGWKSBNICYDPTG-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB CC(C)COc1ccc(C=O)cc1C#N 232585666 AZJBJXSLTOSCGV-UHFFFAOYSA-N 203.241 2.406 0 40 BEAB COC(=O)[C@H](Oc1ccccc1)C(F)(F)F 261829913 YXSACYPPHNXCCL-QMMMGPOBSA-N 234.173 2.169 0 40 BEAB CC[C@@]1(C)CN(c2cc(C)ccn2)CCO1 276046860 ODRMLUGEGVKEBY-ZDUSSCGKSA-N 220.316 2.395 0 40 BEAB COc1ccc([C@H](O)c2cccn2C)cc1 95727868 VQAACIDZSCXVLQ-ZDUSSCGKSA-N 217.268 2.115 0 40 BEAB Cc1noc(CNc2cccc(F)c2F)n1 65207346 MHKGBNULDSXRLQ-UHFFFAOYSA-N 225.198 2.268 0 40 BEAB CC[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 96999803 RVTJDQQQXQUJJM-LLVKDONJSA-N 249.310 2.146 0 40 BEAB COCCNCc1cc(C)n(C(C)C)c1C 223675384 BEGHLUAXAAMMGY-UHFFFAOYSA-N 224.348 2.422 0 40 BEAB COc1ccc(C2(CN)CCC2)cc1OC 11848927 HWNXNLJYEUUWKK-UHFFFAOYSA-N 221.300 2.084 0 40 BEAB Cc1nc2ccccc2n1[C@@H]1CCC[C@H]1O 37489909 BMHILEJFLIAHKZ-CHWSQXEVSA-N 216.284 2.431 0 40 BEAB C[C@H]1c2ccccc2OCCN1CC1(C)COC1 608561342 GUNAHLHMKVMCND-LBPRGKRZSA-N 247.338 2.479 0 40 BEAB O=C(Nc1ccccn1)c1cccc(O)c1 19837356 LXVCGBPQMKHOSH-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB Cc1ccc(CN(C)[C@H]2C[C@H](C)OC2=O)cc1 40023626 JGXXCINWJJLPKY-AAEUAGOBSA-N 233.311 2.131 0 40 BEAB CCc1ncc([C@@H](O)c2ccc(C)cc2)n1C 170138 RLZMGGXEJXZNNS-AWEZNQCLSA-N 230.311 2.373 0 40 BEAB CCC(=O)c1cn(CC(=O)OC)c2ccccc12 560747 KCCPHRCAGDHDCC-UHFFFAOYSA-N 245.278 2.407 0 40 BEAB CCC[C@]1(c2ccccc2)OC[C@H](CO)O1 1696801 WTRULDHVZHPDHC-STQMWFEESA-N 222.284 2.047 0 40 BEAB COc1cccc([C@]2(O)CCCC[C@H]2CN)c1 2525855 QNPPIKMBCJUUTG-GXTWGEPZSA-N 235.327 2.032 0 40 BEAB biogenic,in-vitro CCOc1ccccc1-c1cc(N)on1 3715886 YVGDGVAGPHKKLP-UHFFFAOYSA-N 204.229 2.323 0 40 BEAB O[C@]1(c2ccccc2)CCN[C@@H]2CCCC[C@@H]21 4380981 JENIXYWBDVSBMO-ZNMIVQPWSA-N 231.339 2.426 0 40 BEAB OC[C@H]1CCN(c2ccccc2Cl)C1 11892859 RCAXNMIJWWVADB-VIFPVBQESA-N 211.692 2.159 0 40 BEAB in-vitro O=C(O)Cc1c[nH]c2c(F)cc(F)cc12 11920394 NTDMXSJQNSXGNJ-UHFFFAOYSA-N 211.167 2.073 0 40 BEAB Cc1c(C(=O)NCC(C)C)[nH]c2c1C(=O)CCC2 12923546 MPGYDAWRRUTPQM-UHFFFAOYSA-N 248.326 2.228 0 40 BEAB CCCCCCn1ccc(=O)c(O)c1C 13558676 UJMBXXIGVFMNDN-UHFFFAOYSA-N 209.289 2.443 0 40 BEAB NC(=O)/C(=C/c1ccco1)c1ccccc1 15228239 FGNPZJIAMLNQEB-FMIVXFBMSA-N 213.236 2.306 0 40 BEAB CCC(CC)C(=O)N1CC(=O)Nc2ccccc21 15859056 AFQCUALCBMWQDC-UHFFFAOYSA-N 246.310 2.408 0 40 BEAB COc1cc(CN)ccc1OCC(C)C 20130501 PPGPFRCXLALBEE-UHFFFAOYSA-N 209.289 2.189 0 40 BEAB Cc1cc(C(=O)NC(C)C)cc2sc(N)nc12 20154870 OKUYQOKFVLBRLV-UHFFFAOYSA-N 249.339 2.325 0 40 BEAB CC[C@@H](C)OC(=O)c1cc(N)ccc1OC 20155972 BTTWSTBCNQYDDX-MRVPVSSYSA-N 223.272 2.233 0 40 BEAB CCc1ccccc1NC(=S)NC(C)=O 21596516 XJJGDYAKGFDBRG-UHFFFAOYSA-N 222.313 2.082 0 40 BEAB CCOC(=O)CCC(=O)c1ccc(N(C)C)cc1 34213664 RXVGONBQPPYGOK-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB Cc1csc(CNC(=O)c2cccs2)n1 36391714 MVSNDPVFNKFTKM-UHFFFAOYSA-N 238.337 2.443 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@H]2[C@H](C)N)c1 36922579 SCBRMCDRXPTYCI-AQUOVQTQSA-N 221.300 2.155 0 40 BEAB c1coc(-c2n[nH]c(-c3ccncc3)n2)c1 40169607 BQSYDZDIYLSGSA-UHFFFAOYSA-N 212.212 2.127 0 40 BEAB CN(C(=O)c1cc(N)cc(N)c1)C1CCCCC1 40293302 UFEXQBBCUZOCKH-UHFFFAOYSA-N 247.342 2.256 0 40 BEAB COCCCNC(=O)Cc1ccccc1Cl 47465898 NZJRCNSGOPVHSD-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB CC[C@@H](C)[C@@H](C)NCCN1CCCCC1 49574639 FVEOGRVZVMUETE-CHWSQXEVSA-N 212.381 2.497 0 40 BEAB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1 49661447 MMIAVFTUGVDXRX-SECBINFHSA-N 226.270 2.153 0 40 BEAB CC(=O)c1ccc(N2CCOCC2)cc1Cl 70603066 QIAZDKGVNJAOBG-UHFFFAOYSA-N 239.702 2.379 0 40 BEAB in-vitro CCOC(=O)C[C@@](C)(CC)N(CC)CC 70824220 TYFOWRZLODECRD-GFCCVEGCSA-N 215.337 2.450 0 40 BEAB O[C@H]1CCCc2c1cnn2-c1ccccc1 72206538 LDTYNSSHYDLPGW-ZDUSSCGKSA-N 214.268 2.242 0 40 BEAB CCCC[C@H](N)CNC(=O)OC(C)(C)C 74942050 HDYLLORAJORZCO-VIFPVBQESA-N 216.325 2.029 0 40 BEAB in-vitro Oc1ccc2[nH]cnc2c1Br 75622310 OVZVZJHQYVQXME-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB COc1cc(C(=O)O)sc1Br 83925334 SSZYFNWEXXZETP-UHFFFAOYSA-N 237.074 2.217 0 40 BEAB in-vitro N[C@H](c1cncc(Br)c1)C1CC1 84191781 UTZPXWHGEBKSKC-VIFPVBQESA-N 227.105 2.254 0 40 BEAB in-vitro Cc1cnc(N2CCCC[C@H]2C)c(N)c1 85425097 WZVOZBKADGDIQG-SNVBAGLBSA-N 205.305 2.351 0 40 BEAB Cc1ccc(CCc2nc([C@@H]3CCOC3)no2)o1 89652925 CCCUNAHVYUXITP-SNVBAGLBSA-N 248.282 2.260 0 40 BEAB O=C(O)c1nc(C(F)(F)F)ccc1Cl 90693726 XXLAXZNHHWJHOO-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB CC(=O)Nc1c(F)cccc1NC1CC1 95405674 OHMHOLGFIFFCKX-UHFFFAOYSA-N 208.236 2.358 0 40 BEAB O=C(c1ccnc(Cl)c1)C(F)(F)F 95751751 XVWCXVVUJGNNKE-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB OCCC[C@@](F)(Cl)C(F)(F)Cl 95891392 GMPNCXVCFYUFOC-BYPYZUCNSA-N 211.010 2.495 0 40 BEAB COC(OC)c1cccc(Br)n1 96125853 SZLQAUWIUGRPND-UHFFFAOYSA-N 232.077 2.136 0 40 BEAB CCO[C@@H]1C[C@H](NC(=O)c2ccncc2)C1(C)C 96414161 UKWSCCYCUSBBMX-NWDGAFQWSA-N 248.326 2.015 0 40 BEAB CC[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 96999806 RVTJDQQQXQUJJM-NSHDSACASA-N 249.310 2.146 0 40 BEAB COc1cccc(C(N)=O)c1OC1CCCC1 97114832 PAMZOMAERAOPKV-UHFFFAOYSA-N 235.283 2.116 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@](O)(CC(=O)O)C2 100271185 HBWSRVTVYLQCPC-JFUSQASVSA-N 212.289 2.038 0 40 BEAB CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OC 107350526 MSOSVFHZZBTXDD-QJPTWQEYSA-N 227.348 2.496 0 40 BEAB Cc1noc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1 107490949 BYKQZLNLBXUTIM-GUBZILKMSA-N 235.287 2.143 0 40 BEAB OCc1c(Br)ccc(O)c1Cl 113484388 PLUPZQOUZUDMMM-UHFFFAOYSA-N 237.480 2.300 0 40 BEAB O=[N+]([O-])c1cc(Cl)cc2c1OCCN2 149239977 VMOMEZPYOGPRPF-UHFFFAOYSA-N 214.608 2.053 0 40 BEAB CNc1nc([C@H]2CCCCN2)cn2cccc12 205687002 LNLXNWJISTXQGE-SNVBAGLBSA-N 230.315 2.191 0 40 BEAB Cn1ccc2ccnc(Br)c21 238552115 ZZZDJFDCEFVCLU-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB FC1(F)CCN(Cc2cc(C3CC3)on2)C1 2087120273 WJXJXKDSBZIAHM-UHFFFAOYSA-N 228.242 2.393 0 40 BEAB CCC[C@@H]1NC(=S)N(C2CCCCC2)C1=O 171115 SWORNIHCWGWJHI-JTQLQIEISA-N 240.372 2.205 0 40 BEAB Cc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O 280449 IJPMOOLUWLFNOJ-UHFFFAOYSA-N 245.278 2.093 0 40 BEAB biogenic CC(C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 1456902 DDEQUIASKFRODF-VXGBXAGGSA-N 203.285 2.315 0 40 BEAB O=C(O)C(CO)(c1ccccc1)c1ccccc1 1733988 XENQGGFBIYOFES-UHFFFAOYSA-N 242.274 2.050 0 40 BEAB O[C@]1(c2ccccc2)CCN[C@H]2CCCC[C@@H]21 3684328 JENIXYWBDVSBMO-KKUMJFAQSA-N 231.339 2.426 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)CSc1nc(C)cs1 9450643 QTFWYBUEESSNIS-SSDOTTSWSA-N 244.385 2.458 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(F)c1 13939015 UTOWMFMGBMRCDI-SSDOTTSWSA-N 249.282 2.042 0 40 BEAB Cc1n[nH]c(=S)n1NCc1cccs1 17744278 QWQBBLHACLYYAD-UHFFFAOYSA-N 226.330 2.054 0 40 BEAB O=C1O[C@@H](Nc2ccccn2)c2ccccc21 19375069 ZWWHJIJWPUEHHW-GFCCVEGCSA-N 226.235 2.363 0 40 BEAB c1ccc(CN2CCC[C@H]2c2cc[nH]n2)nc1 19695484 KTJVNEOPQKHVIC-ZDUSSCGKSA-N 228.299 2.142 0 40 BEAB CC[C@H](C)[C@@H](C)NC[C@@H]1CCCN1CC 20092024 XZUSPJIKFBSHMU-XQQFMLRXSA-N 212.381 2.495 0 40 BEAB CCC(=O)CC(=O)c1ccc(OC)cc1 20375365 KLVOEDVKCPIDSW-UHFFFAOYSA-N 206.241 2.247 0 40 BEAB CCC(=O)NC1CCN(Cc2ccccc2)CC1 20572732 HJGLMSPHPRPBCW-UHFFFAOYSA-N 246.354 2.177 0 40 BEAB CCC[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 32668076 MKKREYTWDYEBFD-GARJFASQSA-N 213.321 2.058 0 40 BEAB CCNC(=O)c1cnn(-c2ccccc2F)c1C 32903139 UWNUOTCWCUECLP-UHFFFAOYSA-N 247.273 2.070 0 40 BEAB CCn1c2ccccc2n2c(SC)nnc12 33373503 DIAXMQXVUSGSDU-UHFFFAOYSA-N 232.312 2.426 0 40 BEAB O=C(OCC(F)(F)F)c1ccccc1 39206828 GMYUKHZXDVBIQE-UHFFFAOYSA-N 204.147 2.406 0 40 BEAB CC(C)(C)CNC[C@H](O)COc1ccccc1 40493500 GPDRYYUPHPMIRL-LBPRGKRZSA-N 237.343 2.062 0 40 BEAB O=C(NCCc1ccsc1)c1ccoc1 40509526 WRMUMRFZWRCCQY-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB CC(=O)N1C[C@@H](C)O[C@H](c2ccc(C)cc2)C1 41422258 UNSUUAYHBGLISC-RISCZKNCSA-N 233.311 2.303 0 40 BEAB Clc1cccc(COC[C@@H]2CCNC2)c1 42771914 VCZOMDACJTXWEK-LLVKDONJSA-N 225.719 2.466 0 40 BEAB C[C@H]1CCC[C@H](NC(=O)Nc2nncs2)C1 43127801 BMKWCXUXPXKODD-YUMQZZPRSA-N 240.332 2.238 0 40 BEAB CCc1ccc(NC(=O)c2cccc[n+]2[O-])cc1 46085463 LCTXMDXXTMYFTB-UHFFFAOYSA-N 242.278 2.135 0 40 BEAB CCc1cccc2c(N)c(C(=O)O)cnc12 47913048 JVCZSNZNCDPRSS-UHFFFAOYSA-N 216.240 2.078 0 40 BEAB CCOC(=O)[C@H](O)c1ccc(Cl)c(F)c1 50976377 ZNSRYRUHAPLUPG-SECBINFHSA-N 232.638 2.076 0 40 BEAB in-vitro NC(=O)CCc1ccc(Cl)c(Cl)c1 57498902 MXJSTEGEEJRPOJ-UHFFFAOYSA-N 218.083 2.411 0 40 BEAB S=C(NCC1CCCCC1)NC1CC1 57758390 CEAGQFCUPGLAPK-UHFFFAOYSA-N 212.362 2.193 0 40 BEAB O=C1OCC[C@@H]1N1CCC(c2ccccc2)CC1 69415047 WNEPGPJXCQNPDO-AWEZNQCLSA-N 245.322 2.182 0 40 BEAB O[C@@H]1CN[C@@H](c2ccccc2C(F)(F)F)C1 69970981 MHSWZBHVZZQQLL-OIBJUYFYSA-N 231.217 2.101 0 40 BEAB C[C@@H](c1ccncc1)N1CCSCC1 71893066 OHOWMNQSAMGTQF-JTQLQIEISA-N 208.330 2.191 0 40 BEAB COC(=O)c1ccc([C@@H](N)C(F)(F)F)cc1 72195039 BBPNHHDNFRUHRJ-MRVPVSSYSA-N 233.189 2.035 0 40 BEAB CONC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 75145511 JXGWIUBHSFLJMT-ZJUUUORDSA-N 240.690 2.057 0 40 BEAB CN1CCC(O)(c2ccc(F)c(Cl)c2)CC1 79030374 ITFIQSPSAFTJMN-UHFFFAOYSA-N 243.709 2.392 0 40 BEAB O=C(C[C@H]1CCCN1)c1ccc(F)cc1 82164126 WKHFPFSWNGZMIV-LLVKDONJSA-N 207.248 2.151 0 40 BEAB in-vitro C/C=C/COC(=O)c1ccc(OC)c(OC)c1 84136267 IPWZFVKSMKLVFD-SNAWJCMRSA-N 236.267 2.437 0 40 BEAB OC1(CN2CCc3ccccc3C2)CCCC1 87463793 SXRZNFDAXKGCKB-UHFFFAOYSA-N 231.339 2.350 0 40 BEAB CN(Cc1cnn(C)c1)c1ccncc1Cl 89755731 GYQJKNXJUWISBU-UHFFFAOYSA-N 236.706 2.105 0 40 BEAB O=C(O)C1CC(O)(c2ccc(Cl)cc2)C1 96024017 FLCBXWHHAZRVRQ-UHFFFAOYSA-N 226.659 2.022 0 40 BEAB CCc1nc(Cl)c(C=O)c(Cl)n1 96304597 QTBMELIZOPGENB-UHFFFAOYSA-N 205.044 2.158 0 40 BEAB O=C(Nc1cccs1)N1Cc2cncnc2C1 96366501 AHPAMMSSFZGTAG-UHFFFAOYSA-N 246.295 2.086 0 40 BEAB CCn1cc(-c2cc(Cl)ncn2)c(C)n1 96524151 MLAZOOJXKXKAET-UHFFFAOYSA-N 222.679 2.322 0 40 BEAB O=C(OCc1ccccc1)N1O[C@H]2C=C[C@H]1C2 100004027 MXHWWBNEOOVFRU-RYUDHWBXSA-N 231.251 2.268 0 40 BEAB O=C(NC1CC1)c1cc(-c2ccc(F)cc2)on1 123080078 CTNCWIQXXGYFAY-UHFFFAOYSA-N 246.241 2.373 0 40 BEAB CCCC(=O)NCCNC1CCCCCC1 132817398 DKJFDUQPPTYKGK-UHFFFAOYSA-N 226.364 2.215 0 40 BEAB COc1cc(N2C[C@@H]3CCCC[C@H]3C2)ncn1 133491155 UXBJTBMXYCNBTF-QWRGUYRKSA-N 233.315 2.112 0 40 BEAB Brc1cncc(-c2ncccn2)c1 148196319 RLQBACIDRXTOLB-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB C[C@H]1CN(CC2CC2)C[C@@H](C)N1CC1CC1 187115223 BAJDVGSDCCLXIX-TXEJJXNPSA-N 222.376 2.201 0 40 BEAB Cc1cc(C(F)(F)F)c2[nH]cnc2n1 198572786 GATWOGXFBQIBCA-UHFFFAOYSA-N 201.151 2.285 0 40 BEAB C[C@@H]1Nc2ccccc2[C@H](C)[C@@H]1C(=O)O 225816814 QVQNTCOQTCPKLU-LAEOZQHASA-N 205.257 2.305 0 40 BEAB CC[C@@H](C)n1c(C=O)ccc1CCOC 226030393 ABZFRTDCGYZPJD-SNVBAGLBSA-N 209.289 2.461 0 40 BEAB CCN(CC)c1ccc(NC(C)=O)cc1N 226262657 BWFKRTJFFLBERJ-UHFFFAOYSA-N 221.304 2.073 0 40 BEAB c1cc(C[C@H]2CC3(CCOCC3)CO2)ccn1 257272821 NDZOOWPXBIPDAK-ZDUSSCGKSA-N 233.311 2.210 0 40 BEAB FC1(F)CCN(Cc2ccccn2)CC1 259389851 QVDLWMIPKMKBPP-UHFFFAOYSA-N 212.243 2.313 0 40 BEAB COc1ccc(-c2ccc(OC(C)=O)nn2)cc1 408530596 PNQDAQBEFSQNRZ-UHFFFAOYSA-N 244.250 2.078 0 40 BEAB O=Cc1c(C(F)(F)F)cc(F)nc1F 675050486 KXXWHCPTBGBVEZ-UHFFFAOYSA-N 211.089 2.191 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 715466367 LXRUDDUMTGFTHU-RNFRBKRXSA-N 219.231 2.118 0 40 BEAB O[C@H](c1ccc(-n2cccn2)cc1)C(F)(F)F 1536151675 CMWOVCGHHAXMLQ-SNVBAGLBSA-N 242.200 2.468 0 40 BEAB O=C(Nc1ccc2ccccc2c1)c1nc[nH]n1 52635 XDXBRZKTGRSWGQ-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB N[C@@]1(C(=O)O)CCCC[C@@H]1c1ccccc1 1702667 QAKNRGSEJPUFDI-YPMHNXCESA-N 219.284 2.126 0 40 BEAB CCOC(=O)/C=C/c1ccc(C=O)cc1 2513924 PTLYUOHNLZBHKB-BQYQJAHWSA-N 204.225 2.075 0 40 BEAB O=Cc1ccc(-c2ccc3c(c2)COC3=O)o1 5678262 HAGRGRZYFMHGGE-UHFFFAOYSA-N 228.203 2.430 0 40 BEAB CN(C)CCCOc1c(N)cccc1Cl 14629203 DGNYYDCNGZSSLG-UHFFFAOYSA-N 228.723 2.253 0 40 BEAB CN(C)C(=O)c1ccc(F)cc1Br 19422048 CGUIJOTZYHWBSQ-UHFFFAOYSA-N 246.079 2.290 0 40 BEAB CN(C)C(=O)c1cc(Br)ccc1F 19427633 YTOTUMVHMIXIEZ-UHFFFAOYSA-N 246.079 2.290 0 40 BEAB Cc1cccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1 22214795 CLNKIICQKRMIRN-NFAWXSAZSA-N 248.370 2.104 0 40 BEAB Cc1cc(C(=O)NCc2sccc2C)on1 25718374 CJSDWOJHURVIQP-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB CCOC(=O)[C@@]1(C)CNc2ccccc2C1 26422595 CBGPRWHIGZYREM-CYBMUJFWSA-N 219.284 2.224 0 40 BEAB O=C(CSc1ccc2c(c1)CCC2)N1CCC1 32780928 BJXZVCMYIDOVKB-UHFFFAOYSA-N 247.363 2.500 0 40 BEAB CCCNC(=S)Nc1cccc2cnncc12 33737599 LIIMVDYRBWQENO-UHFFFAOYSA-N 246.339 2.326 0 40 BEAB CCCC[C@@H](CC)C(=O)OC[C@H](C)O 38615292 RCYYLBZELJCFBT-VHSXEESVSA-N 202.294 2.127 0 40 BEAB Brc1nccc2cnccc12 39343427 FLJZODPOGAZBNC-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro Cc1ccc(CC(=O)Nc2ncccn2)cc1C 39404082 MLYPEGYYUXADCL-UHFFFAOYSA-N 241.294 2.275 0 40 BEAB CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H]2C)s1 42047902 PKHAWROBGLPYHN-HTQZYQBOSA-N 239.344 2.331 0 40 BEAB C/C=C/COc1cccc(CC(=O)O)c1 42417289 KYHVQQAMMOHETB-NSCUHMNNSA-N 206.241 2.269 0 40 BEAB CCOC(=O)CN(C)[C@H]1CCc2ccccc21 42635272 NGAUZZFSEGBMCE-ZDUSSCGKSA-N 233.311 2.169 0 40 BEAB CONC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 45013879 HGNFPJRXUCUKNU-UHFFFAOYSA-N 239.319 2.053 0 40 BEAB C1=CC[C@@H](CNc2ncnc3[nH]cnc23)CC1 49281696 LJNUPNKKQIXIRQ-SECBINFHSA-N 229.287 2.121 0 40 BEAB COC(=O)C(Cl)(C(F)(F)F)C(F)(F)F 68574052 SCFPEEUERPSNPO-UHFFFAOYSA-N 244.518 2.262 0 40 BEAB CCCCCCN1CC[S@@](=O)[C@H](C)[C@@H]1C 71920950 JLWBFAJMRNRYPI-ZOWXZIJZSA-N 231.405 2.408 0 40 BEAB CC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 72208668 GDCSPCZJWMQSLC-NSHDSACASA-N 243.347 2.404 0 40 BEAB CC[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208743 BVFMHTQWUQVZBV-QWRGUYRKSA-N 243.347 2.404 0 40 BEAB Cc1cc([C@H]2CCCN2C=O)cnc1Cl 72217768 JYSZQAUGGFSESR-SNVBAGLBSA-N 224.691 2.337 0 40 BEAB Cc1nc(N2CCCCC2)ccc1[C@H](C)N 72224551 ZJZXMKFJLGFPQO-JTQLQIEISA-N 219.332 2.400 0 40 BEAB CCCNC(=O)c1ccc2nc(C)oc2c1 74956043 SZZILQZAZCIPEF-UHFFFAOYSA-N 218.256 2.276 0 40 BEAB O=C(O)c1cc2ccncc2nc1C(F)(F)F 75898680 LHVDYPOMYFMLJA-UHFFFAOYSA-N 242.156 2.347 0 40 BEAB NCc1cncn1Cc1ccccc1Cl 76672036 SAUZYOBVMDTQEF-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB CN1CCC(O)(c2cc(F)c(F)c(F)c2)CC1 79030463 HKAAGGUOMNDBNX-UHFFFAOYSA-N 245.244 2.017 0 40 BEAB C[C@@H](O)CCCc1nc2ccccc2[nH]1 82086992 YPXVMRKDBDPJTN-SECBINFHSA-N 204.273 2.266 0 40 BEAB CC(C)(C)c1cccc2c1OCCNC2 84179577 AYWGRPXLPATOFL-UHFFFAOYSA-N 205.301 2.466 0 40 BEAB CC[C@@H](C)C(=O)NCC(=O)O[C@@H](C)CC(C)C 84721268 GDODYPIUPOBQBO-MNOVXSKESA-N 243.347 2.127 0 40 BEAB CN1CC2(CCN(Cc3ccccc3)CC2)C1 85224237 XHWYWBQBHTXVCE-UHFFFAOYSA-N 230.355 2.214 0 40 BEAB in-vitro C[C@H]1OCC[C@@H]1NCCSC(C)(C)C 89516555 PQDXUVZCUPHFNO-ZJUUUORDSA-N 217.378 2.285 0 40 BEAB COc1ncc(C(F)(F)F)cc1C(C)=O 91692962 LHFULBDACFZZOW-UHFFFAOYSA-N 219.162 2.312 0 40 BEAB COc1ccc([C@H](O)c2cccn2C)c(C)c1 95727843 IATSMRZFXKKPHU-AWEZNQCLSA-N 231.295 2.424 0 40 BEAB COc1c(C)cc(CCOC(C)=O)cc1C 95729931 RUBDKIJPLVADEC-UHFFFAOYSA-N 222.284 2.418 0 40 BEAB CCOC(=O)c1c(N)n[nH]c1-c1ccc(C)cc1 95920271 MPASNNITHWXAJM-UHFFFAOYSA-N 245.282 2.144 0 40 BEAB CCS(=O)(=O)c1cc[nH]c1C(C)(C)C 96532727 UBQMOKHFNFYUJX-UHFFFAOYSA-N 215.318 2.106 0 40 BEAB Cc1ncccc1CN1C[C@H](C)OCC1(C)C 97139426 VEFDGPLWHWDFNT-NSHDSACASA-N 234.343 2.389 0 40 BEAB O=c1cc(O)c2cc(C(F)(F)F)ccc2[nH]1 100045889 FSMFBVONAUAWHF-UHFFFAOYSA-N 229.157 2.253 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 100216492 CZYCREFHHMUIAW-LMLFDSFASA-N 239.315 2.031 0 40 BEAB C[C@H]1C[C@H]1C(=O)N[C@H](C)CCc1ccco1 105882405 CHCUSMVCAWIIQG-HOSYDEDBSA-N 221.300 2.373 0 40 BEAB O[C@@H]1CCCC[C@H]1N1CCc2sccc2C1 216478563 ALWUJNWBDWOKIF-VXGBXAGGSA-N 237.368 2.410 0 40 BEAB CCc1nc2cc(C(=O)NC(C)C)ccc2n1C 225895716 ZOIMKTSWLYNYJT-UHFFFAOYSA-N 245.326 2.274 0 40 BEAB CCc1ccc(CNC[C@H]2CCCO2)n1CC 226019722 GCXHNYCMTFBDNT-CQSZACIVSA-N 236.359 2.339 0 40 BEAB O=C(O)c1c(C2CC2)ccnc1Br 256052741 OLUYSPINBXZAEE-UHFFFAOYSA-N 242.072 2.420 0 40 BEAB CCn1cc(CNCCC(C)C)c(C)n1 256053096 PZQNHSASIPFMKS-UHFFFAOYSA-N 209.337 2.347 0 40 BEAB Cc1cc(C(F)(F)F)nn1[C@H](C)CC(=O)O 408717206 WWHCUHUWODIFML-ZCFIWIBFSA-N 236.193 2.246 0 40 BEAB O=C(O)[C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21 521399596 JZLKUPNAUQTSJI-FKTZTGRPSA-N 208.644 2.310 0 40 BEAB in-vitro Cc1csc(C(=O)NCc2cnoc2C)c1 575607135 XRLUXQGUAZNBKK-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Fc1cnc(OC2Cc3ccccc3C2)nc1 585651442 MYSGLQOLYMUPJZ-UHFFFAOYSA-N 230.242 2.162 0 40 BEAB CCCC(=O)NCCc1ccc([C@@H](C)O)s1 618256578 UOKWYWPBDRKWJR-SECBINFHSA-N 241.356 2.260 0 40 BEAB CCc1c(C)[nH]c2c(O)cccc2c1=O 685938168 DVKVXPGDSXTYNR-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB CCOC(=O)Cn1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 337560 BZXRYLCGBSWIIS-NOZJJQNGSA-N 248.326 2.050 0 40 BEAB biogenic CN(C)Cc1nc2cc(F)ccc2s1 1387840 QTLRRNVACXJGLB-UHFFFAOYSA-N 210.277 2.497 0 40 BEAB CCOC(=O)CCC(=O)c1cccc(OC)c1 2242959 DVJMVEWPRBDHPK-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CCOC(=O)/C=C/c1ccnc(Cl)c1 2547601 CVPOUFVXENKYKW-ONEGZZNKSA-N 211.648 2.311 0 40 BEAB COC[C@H](C)Nc1nc(C)c(C(C)=O)s1 3325113 XDQGEILYHRINOU-LURJTMIESA-N 228.317 2.101 0 40 BEAB C[C@H]1CNCC[C@]1(C)c1cccc(O)c1 3880949 HXZDAOSDNCHKFE-GWCFXTLKSA-N 205.301 2.279 0 40 BEAB in-vitro CC1(C)CCNc2ccc(C(=O)O)cc21 4202445 TZCTXNFOGFCRFV-UHFFFAOYSA-N 205.257 2.478 0 40 BEAB in-vitro CC(C)(C)NCCOC(=O)c1cccc(F)c1 4411926 BEOBZAOVTJGJCP-UHFFFAOYSA-N 239.290 2.371 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)O 5276213 UJNOLBSYLSYIBM-WHOHXGKFSA-N 228.332 2.371 0 40 BEAB CCc1ccc(CCC(=O)N(C)C)cc1 10338994 MOZJTKCXPVFRDL-UHFFFAOYSA-N 205.301 2.270 0 40 BEAB CC[C@@H](C)NC(=O)c1cccc(N(C)C)c1 12540378 GYCHCHKCRMYFSB-SNVBAGLBSA-N 220.316 2.281 0 40 BEAB CCc1ccc(C(=O)NC2CCC(O)CC2)cc1 12973410 VCMLFKMEYKGNDG-UHFFFAOYSA-N 247.338 2.282 0 40 BEAB Oc1c2c(nn1-c1nc3ccccc3o1)CCC2 14607879 LVBFJIVJLAWUBZ-UHFFFAOYSA-N 241.250 2.208 0 40 BEAB CN(C)c1ccc(NN=C2C=CC(=O)C=C2)cc1 17858224 XBCKVYYJXKZISB-UHFFFAOYSA-N 241.294 2.216 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 19409935 RUFPFOPPDAYLJY-LBPRGKRZSA-N 218.300 2.076 0 40 BEAB FC(F)(F)c1ccc(NC2CCNCC2)nc1 19473766 SOMYHXRJSAEQBL-UHFFFAOYSA-N 245.248 2.264 0 40 BEAB c1cc(CNCCCN2CCCCC2)ccn1 20128733 UYLREBUCJQTOSE-UHFFFAOYSA-N 233.359 2.047 0 40 BEAB CO[C@@H](C(=O)Nc1cccnc1)c1ccccc1 20238658 MNIGGDGFKNAQKP-CYBMUJFWSA-N 242.278 2.408 0 40 BEAB CCN(CC)c1ccc(NC(=O)C2CC2)cn1 20371630 ZWFHNGDKOTUAFD-UHFFFAOYSA-N 233.315 2.276 0 40 BEAB CCC(C)(C)OC[C@@H](O)CN1CCCCCC1 28295253 ZNLDNTBPYCJILD-ZDUSSCGKSA-N 243.391 2.429 0 40 BEAB CCC(=O)NCCN1c2ccccc2CC[C@@H]1C 32934723 NWSXCZYVQHMJHU-LBPRGKRZSA-N 246.354 2.354 0 40 BEAB O=C(O)CC[C@H](O)c1c[nH]c2ccccc12 33992553 FPLWKQKTQLUVDW-NSHDSACASA-N 219.240 2.066 0 40 BEAB CCOC(=O)C(F)(F)c1cccc(C)n1 34409010 PQERDYNTMXQQCR-UHFFFAOYSA-N 215.199 2.045 0 40 BEAB CNc1nnc(SCc2cc(C)no2)s1 36879928 NIRFOADRYGTNMN-UHFFFAOYSA-N 242.329 2.169 0 40 BEAB CC[C@@H]1CCCCN1c1ccc(CN)cn1 37082691 RBLHEKJKXLYENT-GFCCVEGCSA-N 219.332 2.309 0 40 BEAB OC1(CNCc2ccccc2)CCCCC1 37859077 HIXGXDDBXDLESN-UHFFFAOYSA-N 219.328 2.471 0 40 BEAB C1CC[C@@H]2[C@@H](C1)CCN[C@@H]2CN1CCCC1 39982818 WYMMZJPKJFWTSS-BFHYXJOUSA-N 222.376 2.251 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@H]2CN)c1C 44540939 BAFLPFPYCZQTQH-ZDUSSCGKSA-N 246.354 2.257 0 40 BEAB O=C(O)Cn1cc(-c2cccc(Cl)c2)cn1 49828349 ANWARXAVECRHAN-UHFFFAOYSA-N 236.658 2.288 0 40 BEAB CSCC(=O)NCCCc1ccccc1 49909645 FAYYVHQLURSAEY-UHFFFAOYSA-N 223.341 2.098 0 40 BEAB COC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 50974711 ZIRDWWNAXJFVAZ-QMMMGPOBSA-N 235.066 2.200 0 40 BEAB in-vitro FC(F)(F)c1cccnc1OC1CCNCC1 51865465 WOFTVSYHHBRRTB-UHFFFAOYSA-N 246.232 2.231 0 40 BEAB c1ccc(CCCCN2CCCNCC2)cc1 71536510 XBDHOVMOYHPENB-UHFFFAOYSA-N 232.371 2.305 0 40 BEAB O=C(Nc1cnn(CC(F)(F)F)c1)C1CCC1 72243840 YZQCNQMLKSXDSP-UHFFFAOYSA-N 247.220 2.184 0 40 BEAB CC(=O)N1CCN(C(C)C)[C@H](c2ccccc2)C1 72366560 GRWKRYOMXMVRKK-HNNXBMFYSA-N 246.354 2.300 0 40 BEAB CN(C)C(=O)c1cc(C2CCCC2)no1 73009597 QYOQNADAZVRFOV-UHFFFAOYSA-N 208.261 2.034 0 40 BEAB COc1ccc(-c2ccccn2)cc1N 75601580 HAADUUDUGSTQQY-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB CCC1(CNCc2ccc(COC)cc2)COC1 79100097 IBRDRGPNTBAVPK-UHFFFAOYSA-N 249.354 2.349 0 40 BEAB CCOC(=O)COc1cc(C)ccc1F 82939342 DYQOCJIESSBNKS-UHFFFAOYSA-N 212.220 2.076 0 40 BEAB Cc1cnc(N2C[C@@H](C)C[C@H](C)C2)c(N)c1 85425126 KVKOJSQHWRZHQZ-QWRGUYRKSA-N 219.332 2.455 0 40 BEAB C[C@H](NC[C@H](C)[S@](C)=O)c1ccsc1 90843534 GNFDVHUPGDNODP-UINNMSKDSA-N 231.386 2.166 0 40 BEAB c1coc(CN2CCOCC23CCCC3)c1 93840495 VHLJHHSXRZDHML-UHFFFAOYSA-N 221.300 2.425 0 40 BEAB OC[C@@H](NC[C@H]1CC=CCC1)c1ccco1 95434062 WLAFVRDODRRNAI-NWDGAFQWSA-N 221.300 2.259 0 40 BEAB Cc1nc(O)c(Br)c(C(F)F)n1 96529360 OUOQJGYXTZWYSF-UHFFFAOYSA-N 239.019 2.191 0 40 BEAB CN(C)[C@H](Cc1cccc2ccccc12)C(=O)O 107843578 DAQWPKILCSFIRY-CQSZACIVSA-N 243.306 2.397 0 40 BEAB C[Si](C)(C)c1ccc(F)c(C(=O)O)c1F 196206336 MUIYZULQLLCQAC-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB C[C@H](C1CC1)n1cc2c(n1)C[C@@H]1CC[C@@H]2N1 216546547 VDOFOLSTKIOEDA-QRTLGDNMSA-N 217.316 2.203 0 40 BEAB Cc1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 301607774 OAISSMJAJJBJPT-IUCAKERBSA-N 209.318 2.083 0 40 BEAB CCOC(=O)c1c(Cl)cnn1CC(C)C 408717388 ZIDKIQSGHJVGKM-UHFFFAOYSA-N 230.695 2.369 0 40 BEAB CO[C@@](C)(CSc1cnn[nH]1)c1ccccc1 521395048 YPUDZLYYVOVIBW-LBPRGKRZSA-N 249.339 2.459 0 40 BEAB Cc1cc(C(=O)NC[C@]2(O)C=CCCC2)c(C)o1 585146648 WUTNWKYDXCIASS-AWEZNQCLSA-N 249.310 2.097 0 40 BEAB COC(=O)[C@@H]1CCC[C@@H](OC(F)(F)F)C1 953033813 ONELURHMQSHRTE-RNFRBKRXSA-N 226.194 2.255 0 40 BEAB CCC(=O)C[C@H]1CCC[C@H](CC(=O)CC)N1 1713141 ICQDSEWZOQKQSL-GHMZBOCLSA-N 225.332 2.236 0 40 BEAB biogenic CCOC(=O)[C@@H](C)CC(=O)c1ccccc1 2046074 BOHBYJCFZWBXOZ-JTQLQIEISA-N 220.268 2.459 0 40 BEAB Cc1cnc(C(=O)N[C@H]2CCCC[C@H]2C)cn1 3559870 QPNVAPBAQNRRPC-KOLCDFICSA-N 233.315 2.094 0 40 BEAB C[C@H](NC(=O)C1CC1)c1ccc2c(c1)OCCO2 5747315 SBKUUNINEYBUAC-VIFPVBQESA-N 247.294 2.045 0 40 BEAB CCc1nnsc1C(=O)NCc1ccccc1 8060385 ZVEOKHVLXJFSAJ-UHFFFAOYSA-N 247.323 2.031 0 40 BEAB CC(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 8447128 KGJZGHHOKMIDIM-NSHDSACASA-N 249.310 2.181 0 40 BEAB COc1ccc(CNC(C)C)c(OC)c1 10436125 RQFBSHALMPPOJT-UHFFFAOYSA-N 209.289 2.202 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(-n2cccn2)nc1 12545902 PFUSTYPLEKPTFU-UHFFFAOYSA-N 244.298 2.252 0 40 BEAB O=C(O)C1CCC(Cn2cccc2)CC1 13624066 AOWZYXIAQXELRD-UHFFFAOYSA-N 207.273 2.379 0 40 BEAB CC(C)[C@@H](N[C@@H](C)CC(N)=O)c1cccs1 13985869 UXYWRECTIXXIAQ-JOYOIKCWSA-N 240.372 2.299 0 40 BEAB COc1ccc(CNCC2CC2)cc1OC 19884605 PRUACGQHORLDSF-UHFFFAOYSA-N 221.300 2.203 0 40 BEAB CN(C(=O)C(C)(C)C)c1ccc(CC(=O)O)cc1 20227116 QBGULFJLGKZOTH-UHFFFAOYSA-N 249.310 2.323 0 40 BEAB Cn1cc(-c2cc(C(F)F)n3nccc3n2)cn1 20617626 SNPGRACKXCLULI-UHFFFAOYSA-N 249.224 2.067 0 40 BEAB CCc1nc(Cl)nn1-c1ccccc1 22125599 XJJDKIXSVQEQQA-UHFFFAOYSA-N 207.664 2.483 0 40 BEAB CC(C)(C)OC(=O)CNc1ccccc1 37488420 MYBNTSLQHDGJFY-UHFFFAOYSA-N 207.273 2.440 0 40 BEAB in-vitro CN1CCc2c(sc3ncnc(Cl)c23)C1 39295039 CNMGTRPOXVYQCC-UHFFFAOYSA-N 239.731 2.333 0 40 BEAB CCOc1ccc(CNCc2cnn(C)c2)cc1 41158519 BPFHZZSILVUICI-UHFFFAOYSA-N 245.326 2.109 0 40 BEAB Clc1ccc(Cl)c(OC2CNC2)c1 42769865 GZYSYZVWBGMCCF-UHFFFAOYSA-N 218.083 2.344 0 40 BEAB OC[C@H]1CCCN1c1cccc(C(F)(F)F)n1 44272030 KCXQKBGDCIUTTD-MRVPVSSYSA-N 246.232 2.062 0 40 BEAB CCN(CC)c1ccc(C(=O)N(C)OC)cc1 47219231 UXWZFWZWNFWISM-UHFFFAOYSA-N 236.315 2.166 0 40 BEAB CCC[C@H](C)NC(=O)Nc1cccnc1OC 48302004 XZXBESVOFCCXBD-VIFPVBQESA-N 237.303 2.400 0 40 BEAB COc1cccc(-c2nc(C(=O)O)co2)c1OC 51075390 QJKQZFHBTZSRLG-UHFFFAOYSA-N 249.222 2.057 0 40 BEAB CNC[C@H]1C[C@@H]1c1cc(OC)ccc1OC 54588803 PJAWTBPNBFIOAB-KOLCDFICSA-N 221.300 2.027 0 40 BEAB O=C(O)c1cnc(C2CCCCC2)nc1 54856934 SSAYKERXMLTQMZ-UHFFFAOYSA-N 206.245 2.223 0 40 BEAB O=C([C@H]1CCCO1)N1CCSc2ccccc21 57337822 IFYUPKGAVRLPJT-LLVKDONJSA-N 249.335 2.304 0 40 BEAB C[C@@H](CN(C)c1ccccc1)NC(=O)C1CC1 66456324 UBEOKMPGXBVCCW-NSHDSACASA-N 232.327 2.038 0 40 BEAB CC(C)C(=O)NCCCN1CCc2ccccc21 70250627 HMTDAMJQPBFJEY-UHFFFAOYSA-N 246.354 2.211 0 40 BEAB CC(=O)N1CCC(c2cccc(C)n2)CC1 72187739 PEZMHTBIIYHNOX-UHFFFAOYSA-N 218.300 2.116 0 40 BEAB Cc1ccc(CN2C[C@H]3CCCN3C[C@@H]2C)o1 72324417 UYQGLBTWCVURPF-WCQYABFASA-N 234.343 2.257 0 40 BEAB FC(F)(F)[C@H]1N[C@H](c2ccccc2)CO1 80443158 KWZQDMRRNOKEII-IUCAKERBSA-N 217.190 2.236 0 40 BEAB CCOC(=O)CC(=O)c1ccc(F)cc1C 84193723 YRDJNVGINCPBAA-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB c1n[nH]cc1CNCc1csc(C2CC2)n1 95093906 PZMKVVKMTGZGQV-UHFFFAOYSA-N 234.328 2.033 0 40 BEAB COc1ccc(OCCn2cc(C)cn2)cc1 96428975 PLXNQLNDHXOKAH-UHFFFAOYSA-N 232.283 2.279 0 40 BEAB CN(Cc1ccncc1)[C@H]1CCSC1 96485545 VZJLOXREWQLJST-NSHDSACASA-N 208.330 2.019 0 40 BEAB Cc1cccc(C)c1C(=O)NC[C@H](C)CC(=O)O 97045156 VZKCGZRMEMTGBL-SECBINFHSA-N 249.310 2.144 0 40 BEAB C[C@H]1CC[C@H](N[C@H](C)CC(N)=O)c2ccccc21 110697863 IBTZBNVEJUCUQT-WDMOLILDSA-N 246.354 2.479 0 40 BEAB C[C@H](NN)c1cccc(OC(F)(F)F)c1 161782589 JXGLOMPXCFZVRI-LURJTMIESA-N 220.194 2.110 0 40 BEAB C[C@H](CS[C@H]1CCNC1=O)c1ccccc1 183330525 OGOVVNNJGDIFGG-PWSUYJOCSA-N 235.352 2.412 0 40 BEAB O=C(O)[C@@H]1Cc2ssc(=S)c2C1 217899496 PKMRJSNGGOPYHZ-VKHMYHEASA-N 218.324 2.338 0 40 BEAB COCC(=O)N[C@H](C)c1cc(C)c(C)cc1C 223494851 IUZABXDTMBTWND-GFCCVEGCSA-N 235.327 2.435 0 40 BEAB C[C@H]1C[C@H]2[C@@H](N)C[C@H](C(F)(F)F)C[C@H]2O1 225763157 DXOFCJWXXLMFIJ-VCQFTWBDSA-N 223.238 2.080 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CCC(=O)O 245239887 MZKZHXRZHFXJPH-MWODSPESSA-N 224.300 2.493 0 40 BEAB CC1CC(CSc2cnn(C)c2)(C(=O)O)C1 256055185 ZPRGOMMVWUUFHM-UHFFFAOYSA-N 240.328 2.013 0 40 BEAB c1ccc(-c2cn(C3CCOCC3)nn2)cc1 585362085 BUYYVRCUJUHBML-UHFFFAOYSA-N 229.283 2.297 0 40 BEAB Cc1ccc(C)n1NC(=O)c1ccccc1O 479722 NBVFQUYAOPQBOU-UHFFFAOYSA-N 230.267 2.194 0 40 BEAB CC1CCN(C(=O)COc2ccccc2)CC1 493246 BBBGFSWBXZMXLA-UHFFFAOYSA-N 233.311 2.324 0 40 BEAB CC(C)C(=O)O[C@@H](C)[C@H](C)OC(=O)C(C)C 1583995 RHWMVKOPNPKKPF-UWVGGRQHSA-N 230.304 2.162 0 40 BEAB COc1ccc([C@@H]2N[C@H]2c2ccccn2)cc1 1611070 VATZVHGGTGXNAX-KBPBESRZSA-N 226.279 2.476 0 40 BEAB Cc1cc(C(=O)Nc2ccn(C)n2)sc1C 2730105 URAOSNKQPHJEHA-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB Cc1ccc(C)c2c1CC(C)(C)NC2=O 3624527 NHXGZDMHACCQAT-UHFFFAOYSA-N 203.285 2.368 0 40 BEAB COc1ccc(Br)c(C)c1C(=O)O 3848133 PZXLGCIJEFUSLH-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB biogenic CCC(=O)O[C@@H](C)COc1ccccc1 5497942 JGTRETARVZPHAI-JTQLQIEISA-N 208.257 2.407 0 40 BEAB Cc1ccc(Cn2c(C)cc(O)cc2=O)cc1 6199367 QVAHEWKIVCYVKP-UHFFFAOYSA-N 229.279 2.219 0 40 BEAB COc1ccc(Cl)cc1-c1nnc(S)[nH]1 6373183 RJPQQJHHHGTVRK-UHFFFAOYSA-N 241.703 2.422 0 40 BEAB C[C@H](Oc1cccc2c1OC(C)(C)C2)C(=O)O 7078267 ALYKTAHHRRYHQO-QMMMGPOBSA-N 236.267 2.252 0 40 BEAB O=C(O)CCN1CCC[C@H]1c1ccc(F)cc1 12398740 RGSICMVVHDDALV-LBPRGKRZSA-N 237.274 2.437 0 40 BEAB O=C(NC1CC1)c1c[nH]nc1-c1ccc(F)cc1 14263008 UZWSTACWYPJQNE-UHFFFAOYSA-N 245.257 2.108 0 40 BEAB C1CCC(N2CCN(C3CCCC3)CC2)C1 19900141 XOYHALUXINCRHX-UHFFFAOYSA-N 222.376 2.489 0 40 BEAB Cc1c(NCc2cccc(F)c2)cnn1C 20350383 IKPXXUTXZOJXEH-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1cccc(C)c1NC(=O)c1c[nH]ccc1=O 22073355 YECJFSOIBMJWFB-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB C[C@@H](NC(=O)c1ccnc(Cl)c1)C1CC1 25595637 LZBXXHXEYKLSBN-SSDOTTSWSA-N 224.691 2.263 0 40 BEAB C[C@H]1CN(c2ccc(N)cc2F)C[C@H](C)O1 26515019 FOXDRQYNTAHYRU-IUCAKERBSA-N 224.279 2.022 0 40 BEAB in-vitro O=C(O)C[C@@H]1CNc2ccccc2S1 32627191 WHXREQRBHITPQZ-SSDOTTSWSA-N 209.270 2.048 0 40 BEAB in-vitro CCN(C(=O)NC1CC1)c1ccccc1 36179001 RFKRMXMWJYXRPW-UHFFFAOYSA-N 204.273 2.385 0 40 BEAB O=C(c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 41194604 CVTYJDOOFJNMQB-UONOGXRCSA-N 245.322 2.470 0 40 BEAB CCNC(=O)c1sccc1Br 47706596 JMARGVGFEIOOOP-UHFFFAOYSA-N 234.118 2.260 0 40 BEAB CN[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 53202628 JRVNLJYLOUMPSP-CYBMUJFWSA-N 246.354 2.127 0 40 BEAB CCCc1nc(CN2CCOC[C@H]2C)cs1 58200945 UBMWJTVEHFTXGW-SNVBAGLBSA-N 240.372 2.316 0 40 BEAB CN(Cc1ccccc1)C(=O)C1CCOCC1 58363720 UFSVFSMUZQIGIE-UHFFFAOYSA-N 233.311 2.072 0 40 BEAB Cc1[nH]c(=S)c(C(N)=O)c2c1CCCC2 67257800 BHXUBVDVMHZHOF-UHFFFAOYSA-N 222.313 2.030 0 40 BEAB CCNCc1cccc(-c2cnccn2)c1 69048797 FMRFWMOGWGIIIX-UHFFFAOYSA-N 213.284 2.253 0 40 BEAB CC(=O)Nc1ccc2nc(NC(C)=O)ccc2c1 69486533 OAGQDSSGDOSINC-UHFFFAOYSA-N 243.266 2.152 0 40 BEAB CC[C@@H](COC)N[C@H](C)c1cccc(O)c1 70624103 APXZVVKEUNQPTN-PWSUYJOCSA-N 223.316 2.468 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CNCC[C@H]2C)c1C 71412514 BXPMLCHPRUILLL-BXUZGUMPSA-N 246.354 2.031 0 40 BEAB O[C@@H]1CCN(c2ccc(Br)cc2)C1 72206483 VXAGQCJOIGKVLU-SNVBAGLBSA-N 242.116 2.020 0 40 BEAB in-vitro CNc1cc(C)c([C@@H]2CCCCN2C=O)cn1 72219072 OUXUIXVXHJILEQ-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB Cc1n[nH]c(-c2ccsc2)c1CC(=O)O 72324058 YYTFEYKCKRKAAV-UHFFFAOYSA-N 222.269 2.074 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)[C@H]2CC=CC[C@H]21 72481883 KDTQUGWQGQHXQF-DTWKUNHWSA-N 223.272 2.099 0 40 BEAB O=C(Nc1cccnc1)N1CCCSCC1 77678409 QVKHXNGKKVEOJS-UHFFFAOYSA-N 237.328 2.052 0 40 BEAB O=C(C1CC=CC1)N1CCO[C@H]2CCCC[C@H]21 77737539 GXSJENUXPIHDHD-OLZOCXBDSA-N 235.327 2.123 0 40 BEAB CC1(C)OC[C@H](COC(=O)c2ccsc2)O1 83772799 FTKMCETYNZBDKS-VIFPVBQESA-N 242.296 2.056 0 40 BEAB CC1CC(C(=O)N2CCS[C@@H](C)[C@@H]2C)C1 84766866 IJDTUOJQTXCTLD-SEQHWMEXSA-N 227.373 2.385 0 40 BEAB c1ccc2c(c1)C[C@H](CN1CCCC1)N2 87655840 UHAZNZBTNMEFAT-GFCCVEGCSA-N 202.301 2.119 0 40 BEAB Cc1cc(-c2nn3c(C4CC4)nnc3s2)on1 95477370 FQGRIAIRMFHTCZ-UHFFFAOYSA-N 247.283 2.027 0 40 BEAB CCOc1ccc(C2([C@H](C)O)CC2)cc1 95739189 WQVRCFYUHSCWKW-JTQLQIEISA-N 206.285 2.498 0 40 BEAB CCSCC[C@H](C)N(C)C(=O)c1cc[nH]n1 96441219 BOOSLWTXOZGIHX-VIFPVBQESA-N 241.360 2.013 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@H]1c1ccc(F)cc1 96510177 RFHCBHCTZIVIBS-QWRGUYRKSA-N 228.288 2.116 0 40 BEAB CC(C)c1noc(-c2cc3n(n2)CCCC3=O)n1 96511749 BCRCMAJOFYDOTM-UHFFFAOYSA-N 246.270 2.033 0 40 BEAB O=C(O)CCNC(=O)c1ccc2sccc2c1 97019340 NULPOZQTQXDHFE-UHFFFAOYSA-N 249.291 2.106 0 40 BEAB CC(=O)O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@H]2C=C[C@H]1C2 100811134 ODYDQOOXSVNMCJ-CLSQCYNNSA-N 218.296 2.396 0 40 BEAB CN(C)C(=O)C[C@H]1CCc2ccccc21 104078795 CVFIGCUFBASMHJ-LLVKDONJSA-N 203.285 2.195 0 40 BEAB COC(=O)c1ccc(OCc2cccnc2)cc1 106181390 OWJGITNBJCLJKI-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB COc1ccc(CSCC(N)=O)cc1Cl 188686487 WMYZSTJOVVZYAD-UHFFFAOYSA-N 245.731 2.067 0 40 BEAB Cc1cc(N2CCCCC2=O)ccc1C=O 199761208 ANBCWGVQWXDHRQ-UHFFFAOYSA-N 217.268 2.324 0 40 BEAB COC(=O)c1c(F)ccc(OC)c1Cl 199820886 OHBLCISPKBEKKP-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB in-vitro Cc1cccc(-c2nnsc2C(=O)O)c1 203560401 OOCISSBCCRKXJB-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB CN1C[C@@H](N)[C@H](c2ccc(Cl)c(Cl)c2)C1 217661372 UIWXGHGHPNUHNF-GZMMTYOYSA-N 245.153 2.350 0 40 BEAB CCN(CC)Cc1cccn1CCCOC 225308893 AEPZDTCYBSMVCY-UHFFFAOYSA-N 224.348 2.366 0 40 BEAB O=C(c1ccccc1)N1CC(C(F)F)C1 585391083 GLYGGJGCWYKLED-UHFFFAOYSA-N 211.211 2.024 0 40 BEAB Cc1cc(=O)n(Cc2ccccc2Cl)cn1 677794732 CEDATRDLPQHGLE-UHFFFAOYSA-N 234.686 2.253 0 40 BEAB c1ccc2c(NCc3cnccn3)ncnc2c1 698091505 GGEYYNDIMBJDEM-UHFFFAOYSA-N 237.266 2.032 0 40 BEAB CSC1=NCCN1C(=O)c1ccc(C)c(C)c1 429369 OJKXXAMWSDFDSV-UHFFFAOYSA-N 248.351 2.478 0 40 BEAB Cc1ccc(-c2csc(NN)n2)cc1 586271 TUIBEKACGWENCI-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB Cc1ccccc1CCCC(C(=O)O)C(=O)O 1594140 HHLGHPPSEJBLIB-UHFFFAOYSA-N 236.267 2.103 0 40 BEAB CCCOC(=O)Cc1ccc(OC)c(OC)c1 1677888 VRRGQPKZPMVHFU-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB COC(=O)c1cccc2cccc(C(=O)OC)c12 2564307 OVPXRLUTUWRYEY-UHFFFAOYSA-N 244.246 2.413 0 40 BEAB CN(C)/C=C/C(=O)Nc1ccc(Cl)cc1 3125087 LDPFBUDMJOEICG-BQYQJAHWSA-N 224.691 2.354 0 40 BEAB CCOc1cc(C=O)ccc1N1CCCC1 4973735 YQVRGSUOHBRGEQ-UHFFFAOYSA-N 219.284 2.498 0 40 BEAB CC/C=C\CC(=O)NCc1ccc(O)c(OC)c1 5062854 FWHHYDSRVPGDCW-PLNGDYQASA-N 249.310 2.373 0 40 BEAB C[C@H]1CCC(=O)CN1Cc1ccccc1 5496395 KZOQTVBEJPFESD-NSHDSACASA-N 203.285 2.240 0 40 BEAB Cc1ccc(F)cc1NC(=O)c1cnn(C)c1C 8757033 NKLOZAQJVFTSMI-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CCCCOC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 8844769 RUFPVBGMFJWXNM-HZSPNIEDSA-N 243.391 2.142 0 40 BEAB c1cc2c(cc1CO[C@H]1CCCCO1)OCO2 17288319 PKIBPPKNRXSIBN-ZDUSSCGKSA-N 236.267 2.459 0 40 BEAB Cc1ccc(NC(=O)C2=NN=CC2)c(C)c1 20033235 XGCZKFWIHLTLFM-UHFFFAOYSA-N 215.256 2.072 0 40 BEAB COc1ccc(C(=O)OC2CCCC2)cc1N 20155876 GZUOHHJMTBLEPP-UHFFFAOYSA-N 235.283 2.377 0 40 BEAB Nc1ccc(N2CCSCC2)c(Cl)c1 20256815 KPESAFMKFLZNBC-UHFFFAOYSA-N 228.748 2.475 0 40 BEAB in-vitro CCNCc1c[nH]nc1-c1ccc(F)cc1 26545910 ISKKBQDGKPBWPF-UHFFFAOYSA-N 219.263 2.325 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1ccc(F)c(C)c1 27530729 MOVSRPSDHAXDHY-VIFPVBQESA-N 245.319 2.211 0 40 BEAB Cc1nsc(NC(=O)c2cccs2)n1 27664477 OKQYABIZUYOZKD-UHFFFAOYSA-N 225.298 2.160 0 40 BEAB O=C1CCCC[C@H]1C(=O)OCc1ccccc1 32151147 UZOGMVJYLSQKCU-GFCCVEGCSA-N 232.279 2.489 0 40 BEAB CC(C)N1CCO[C@H](c2ccccc2)C1 33952660 CHHFZVOTWWUPDQ-ZDUSSCGKSA-N 205.301 2.468 0 40 BEAB CCCN(CCC)Cc1csc(N)n1 36732529 JCRCOHSIXBLSNF-UHFFFAOYSA-N 213.350 2.347 0 40 BEAB Sc1nnc(-c2ccc3c(c2)CCC3)[nH]1 36948332 HDEQKMOSDLXFGE-UHFFFAOYSA-N 217.297 2.249 0 40 BEAB in-vitro OC[C@@H](O)c1ccc(Cl)cc1Cl 38611243 HZAZETJSOZQUJL-MRVPVSSYSA-N 207.056 2.019 0 40 BEAB Cc1cccc([C@H](CO)N2CCCC2)c1 41213740 DRBFZOZCKPPCRT-ZDUSSCGKSA-N 205.301 2.124 0 40 BEAB Cc1cccc(NC(=O)C[C@H]2CCCN2)c1C 42165716 NHECJDWXOOLYLG-GFCCVEGCSA-N 232.327 2.384 0 40 BEAB CC(=O)c1ccccc1OC1CCNCC1 42775754 YWTMFFRGSWLYEQ-UHFFFAOYSA-N 219.284 2.020 0 40 BEAB C[C@@H](NC(=O)NCc1ccccc1)[C@H]1CCCO1 43728369 SYQCDGBJUOGBID-DGCLKSJQSA-N 248.326 2.053 0 40 BEAB Cc1ccnc(SC2CCC(N)CC2)n1 55143864 MIJQWHYQSTWYMM-UHFFFAOYSA-N 223.345 2.147 0 40 BEAB Cc1nc2cc(NC(=O)C3CC3)ccc2[nH]1 65006698 KPNXASAJEYFKQW-UHFFFAOYSA-N 215.256 2.220 0 40 BEAB COC(=O)c1ccc(Nc2cccc(N)c2)nc1 70453850 MFSTXHNFMQJUHL-UHFFFAOYSA-N 243.266 2.194 0 40 BEAB O=C(O)c1cc(-c2cccc(F)c2)on1 71980942 UDWKAAPHEXGBGV-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB CON(C)C(=O)c1ccc(OCC2CC2)cc1 72020508 SANROMNQWCVJIY-UHFFFAOYSA-N 235.283 2.109 0 40 BEAB COc1cccc(OC)c1[C@H]1CCCN1C 72221405 USACXLUEJHRHBS-SNVBAGLBSA-N 221.300 2.471 0 40 BEAB Cc1cc(N)ncc1[C@H](N)c1ccccc1 72223089 BASWNCGTZCHHDV-CYBMUJFWSA-N 213.284 2.020 0 40 BEAB C[C@@H]1CN2CCC[C@H]2CN1CCc1ccccc1 72324611 OWXRKLBEDFCSBI-ZBFHGGJFSA-N 244.382 2.398 0 40 BEAB CCC(=O)N1CCO[C@H](CCc2ccccc2)C1 74754242 OLKFPGBADPLVGB-CQSZACIVSA-N 247.338 2.257 0 40 BEAB Oc1cccc(-c2nnc3ccccn23)c1 79124153 DDKMEZZKGQJPOZ-UHFFFAOYSA-N 211.224 2.102 0 40 BEAB Cc1nc(Cl)c(C(=O)O)c2c1CCC2 82373021 UFBZTVJBWAYAIO-UHFFFAOYSA-N 211.648 2.230 0 40 BEAB C1CC[C@@H](c2nc(C3CCC3)no2)NC1 83120097 ZFPVBLUCIBUVRG-VIFPVBQESA-N 207.277 2.152 0 40 BEAB Nc1cc(F)ccc1NC(=O)N1CCCC1 85960370 SFKJDQSQAMRYRG-UHFFFAOYSA-N 223.251 2.036 0 40 BEAB O=C(c1ccon1)N1CCC[C@H]2CCC[C@@H]21 89885162 CTGCHRKFARXKHM-KOLCDFICSA-N 220.272 2.079 0 40 BEAB CC(=O)c1c(F)cncc1Br 95093370 SBDOOYJADDCOHX-UHFFFAOYSA-N 218.025 2.186 0 40 BEAB c1cn(Cc2noc(-c3ccsc3)n2)cn1 95427797 WMIIVUYOMYSVMU-UHFFFAOYSA-N 232.268 2.043 0 40 BEAB CCOC(=O)CC(=O)c1ccccc1CC 95728855 ISDXYPXRNDAGFM-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB CCCn1cc(NC(=O)[C@@H](C)CSC)cn1 96431434 YSNLSBHMAFUIRX-VIFPVBQESA-N 241.360 2.231 0 40 BEAB CCC[C@@H](NC(=O)C=C1CCCCC1)C(=O)O 97039182 BEHPBIIHOMGGLO-LLVKDONJSA-N 239.315 2.246 0 40 BEAB O[C@@H]1C[C@H]2CC[C@H]1N(Cc1ccccc1)C2 101018538 LSQZRPLAUOVRPZ-MGPQQGTHSA-N 217.312 2.032 0 40 BEAB in-vitro CC1=CCC[C@H](C)[C@@H]1CN1CCC(O)CC1 191040307 DXDMRISQCGCOKA-GXTWGEPZSA-N 223.360 2.436 0 40 BEAB COC(=O)c1cc(NC(C)=O)c(C)cc1C 225561943 XYGIRBIMXZADIX-UHFFFAOYSA-N 221.256 2.048 0 40 BEAB CC(=O)OCC(=O)c1cccc(C)c1C 382711683 ZFJVSRQNTJZMNP-UHFFFAOYSA-N 206.241 2.049 0 40 BEAB CCC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 39065 RKNLMMWOEUJJGA-UHFFFAOYSA-N 230.267 2.185 0 40 BEAB biogenic Nc1ccc2c(c1)C(=O)c1ccc(N)cc1-2 1698873 QQHDRVBDLVUIPP-UHFFFAOYSA-N 210.236 2.062 0 40 BEAB CN[C@@H](CCCC1CCCCC1)C(=O)O 2042742 WDRCCBXCNBGPBV-NSHDSACASA-N 213.321 2.410 0 40 BEAB CNC(=O)NCC12CC3CC(CC(C3)C1)C2 4162885 QAUDGCBEHSQQEV-UHFFFAOYSA-N 222.332 2.132 0 40 BEAB CCOC(=O)c1ccc(-c2noc(C)n2)cc1 4200672 QGJFLYBPBMSNOC-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccn1 6436258 DJHZNCXSQOFNIK-MNOVXSKESA-N 218.300 2.390 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=S)NC1CC1 7522182 MKNUWAZVFTUICI-VIFPVBQESA-N 232.352 2.475 0 40 BEAB Oc1cnnc(Nc2ccc(F)c(Cl)c2)n1 7995027 RECVDTPYERIDSU-UHFFFAOYSA-N 240.625 2.113 0 40 BEAB Cc1n[nH]c2c1C(=O)C[C@H](c1ccco1)C2 8021491 BYFHAZBCRAPDTF-MRVPVSSYSA-N 216.240 2.224 0 40 BEAB COc1cccc(OC[C@H]2CCCCN2)c1 14632440 CWWOJRISFKPSPY-LLVKDONJSA-N 221.300 2.216 0 40 BEAB in-vitro Cc1cc(C)cc(C(=O)Nc2ccn(C)n2)c1 14903635 AHTXDFRWAVGSCJ-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB O=C(O)c1[nH]nc(-c2ccccc2)c1Cl 14988593 NNLLNZASHRANFR-UHFFFAOYSA-N 222.631 2.428 0 40 BEAB COc1cccc2c(=O)c(Cl)c[nH]c12 19721849 QBTBXSAXOFOZIA-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB COc1ccc(CNCC2CC2)c(OC)c1 19884608 TUIICDCIJXSLOC-UHFFFAOYSA-N 221.300 2.203 0 40 BEAB in-vitro Clc1cccc(-c2[nH]nc3c2CNCC3)c1 20221832 ILEYNNQWXGFZLC-UHFFFAOYSA-N 233.702 2.376 0 40 BEAB in-vitro CCCn1ccc(NCc2cnn(CC)c2)n1 20350951 VANYOMMUSGLBOK-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB CCOc1ccccc1O[C@@H]1CCC[C@@H]1N 22563248 OBVRFUXKSGFHQB-WDEREUQCSA-N 221.300 2.344 0 40 BEAB in-vitro C[C@H](Oc1ccccc1F)C(=O)N1CCCC1 32958259 HLIIDRJZVLTBFW-JTQLQIEISA-N 237.274 2.215 0 40 BEAB CCCN(CCC)CC[C@@H]1CCCNC1 34449410 PKRKKEJAJVVWQO-ZDUSSCGKSA-N 212.381 2.498 0 40 BEAB COC(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1 34743180 AUTFVNPUUPHELI-NSHDSACASA-N 221.300 2.157 0 40 BEAB CCONC(=O)[C@@H](C)Sc1ccccc1 36392127 PQYIUCWRTVPXTD-SECBINFHSA-N 225.313 2.235 0 40 BEAB Cn1ccnc1CNc1c(F)cccc1F 36804579 VEBLECPPPOMAJI-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)O 37373850 TWBGRXXJTOHCNT-AEJSXWLSSA-N 200.278 2.445 0 40 BEAB in-vitro CCOc1cccc2c1OCC(C(C)=O)=C2 39100392 RDIRNUBZJLCGMG-UHFFFAOYSA-N 218.252 2.450 0 40 BEAB Clc1nncc(N2CCCC2)c1Cl 39630069 YFYASQGCRWPJKV-UHFFFAOYSA-N 218.087 2.384 0 40 BEAB CC[C@H](C)NC(=O)CN1CCCCCCC1 42975741 XOCRWZUSCBPPBV-LBPRGKRZSA-N 226.364 2.167 0 40 BEAB COc1cnc2[nH]ccc2c1Br 44713372 RZUBLQHBEOAUAQ-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro O=C(Nc1cccc(-n2ccnc2)c1)C1CC1 47514903 OJVJTMDGBPNAGX-UHFFFAOYSA-N 227.267 2.221 0 40 BEAB NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 47843829 STTNIAOMTGSCFK-MRVPVSSYSA-N 239.624 2.049 0 40 BEAB in-vitro CC(C)(C)OC(=O)NC1(C(N)=S)CCCC1 48698419 KZCTWESWQKGOJO-UHFFFAOYSA-N 244.360 2.110 0 40 BEAB Cc1noc(CN(C)CCc2ccccc2)n1 51999923 XPEDXCSGRRXJJN-UHFFFAOYSA-N 231.299 2.053 0 40 BEAB CCCNc1ncc(CNC2CCCC2)cn1 62717677 AUMLWAYFQNZFPM-UHFFFAOYSA-N 234.347 2.331 0 40 BEAB CC[C@H](C)NC(=O)c1n[nH]c2ccccc12 70286965 CUXMEYANNKNRDP-QMMMGPOBSA-N 217.272 2.091 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CCNC2 71373387 HNBZGZYLHSUROS-MFKMUULPSA-N 240.347 2.043 0 40 BEAB CC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208944 ITYCDWJGFHHPIF-UWVGGRQHSA-N 230.352 2.273 0 40 BEAB COC(=O)C[C@@H](C)SCc1cc(C)no1 78813010 YGRNAVYTIKXLOM-MRVPVSSYSA-N 229.301 2.168 0 40 BEAB CC[C@H]1Oc2cc(OC)cc(OC)c2C1=O 82759583 LUIRBFOSNFMWBN-MRVPVSSYSA-N 222.240 2.058 0 40 BEAB CC(C)(C)c1nnc([C@H]2CCCCN2)o1 83289376 FRMHPPFYNMGWHC-MRVPVSSYSA-N 209.293 2.182 0 40 BEAB COC(=O)c1ccc(C(=O)c2ccccc2F)o1 85394301 HHIZUWUUPVBNDT-UHFFFAOYSA-N 248.209 2.436 0 40 BEAB Fc1cc(Br)cc(OC[C@@H]2CO2)c1 88138613 IAYLDVSLWMFGMD-SECBINFHSA-N 247.063 2.366 0 40 BEAB CC(C)[C@H](N)c1nc2cnccc2n1C1CC1 88866288 DODRXJUACMFNOC-LBPRGKRZSA-N 230.315 2.422 0 40 BEAB Fc1ccc(COCc2ncc[nH]2)c(F)c1 95990966 URJNGLGBHGGWSC-UHFFFAOYSA-N 224.210 2.405 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1cccc(F)c1 96529858 RNQHMAAQVMREMW-CABZTGNLSA-N 209.264 2.265 0 40 BEAB C[C@H]1CC[C@@H](NC[C@@]2(O)CCSC2)[C@@H](C)C1 195560715 UOVYKBYSDHCBEG-RVMXOQNASA-N 243.416 2.269 0 40 BEAB Cn1nc(N)c2c(C(F)(F)F)cccc21 199551005 JXLWMHSVDUDVAY-UHFFFAOYSA-N 215.178 2.174 0 40 BEAB CSc1nc(Cl)c2cccnc2n1 206746895 IZBVWTIYHMYEMG-UHFFFAOYSA-N 211.677 2.400 0 40 BEAB N[C@H]1CCCC[C@H]1NCCc1cccs1 218857492 GTUUAWHXFFOHNE-NWDGAFQWSA-N 224.373 2.150 0 40 BEAB CCCn1cc(CNc2cnn(CC)c2C)cn1 256051093 HRDLRUQDHCFASF-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB Fc1ccc(N2C[C@H]3CCC[C@H]3C2)nc1 283706537 DFYJRIGBUAKXKN-AOOOYVTPSA-N 206.264 2.457 0 40 BEAB Cc1cn([C@@H](C)CC(=O)O)nc1C(F)F 408716967 UCQXXSQKWDOEEH-LURJTMIESA-N 218.203 2.165 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2CO 575440846 MOASFGIIEIYFQA-VWYCJHECSA-N 241.331 2.014 0 40 BEAB c1nc(C2CC2)cc(N2C[C@H]3C[C@H]2CS3)n1 585149274 FAYFGAATZKAIHS-VHSXEESVSA-N 233.340 2.048 0 40 BEAB Cc1ccccc1C(=O)N1CC(C(F)F)C1 585391464 MFQNULJLAHENCX-UHFFFAOYSA-N 225.238 2.332 0 40 BEAB Cc1csc(OCC2CCOCC2)n1 585652728 UJSIRBIYSARTIK-UHFFFAOYSA-N 213.302 2.257 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]12CCC[C@@H](N)C2 606301462 DIIOWUSIKPFWQZ-ZWNOBZJWSA-N 240.347 2.267 0 40 BEAB O=C(NC1CCC(n2cccn2)CC1)C1CCC1 618256719 LLFZQPBPEPOOBQ-UHFFFAOYSA-N 247.342 2.283 0 40 BEAB CCOC(=O)C1(c2cccc(C)c2C)CC(=O)C1 685936972 GBEXCSGGPAUCTP-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB Cc1cc(C(=O)N2[C@H](C)COC[C@H]2C)c(C)o1 999812 LPMCJOCJENMJSX-RKDXNWHRSA-N 237.299 2.146 0 40 BEAB COc1ccc(C=O)c(NC(=O)C(C)(C)C)c1 1613168 IQJJVULTAFNFJG-UHFFFAOYSA-N 235.283 2.492 0 40 BEAB Cc1ncc(C(=O)O)n1[C@H](C)c1ccccc1 1732545 BFSWOODTTDXMRA-SECBINFHSA-N 230.267 2.499 0 40 BEAB CCOC(=O)N[C@@H](C)CCCN(CC)CC 2044176 DSNGKTLFGUTLPW-NSHDSACASA-N 230.352 2.243 0 40 BEAB CCOC(=O)[C@@](F)(Cl)C(F)(F)F 2530824 VWBGBOFQVNQGIT-BYPYZUCNSA-N 208.538 2.016 0 40 BEAB CCn1c(S)nc2cc(C(=O)O)ccc21 2641177 IGEXTLPSHQMADO-UHFFFAOYSA-N 222.269 2.043 0 40 BEAB CCCCNC(=O)/C=C/c1ccc2c(c1)OCO2 3306769 ZBIRIFNPWDVHBV-FNORWQNLSA-N 247.294 2.345 0 40 BEAB NCCc1nc(-c2ccc(F)cc2)cs1 3708156 UEERZHVWQHKGRG-UHFFFAOYSA-N 222.288 2.450 0 40 BEAB O=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2 4205063 JNDFDEZJZXAHBU-OWOJBTEDSA-N 240.642 2.209 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 4975622 RSVDRWTUCMTKBV-RKQHYHRCSA-N 248.322 2.333 0 40 BEAB C[C@@H](CN)Oc1cccc(Br)c1 11946606 ZJNXPQUJTAXHPG-ZETCQYMHSA-N 230.105 2.175 0 40 BEAB in-vitro CCc1ccccc1NC(=O)c1cc[n+]([O-])cc1 14710705 SUHHFEKFBUSZDD-UHFFFAOYSA-N 242.278 2.135 0 40 BEAB COc1ccc(/C=C/C=C\C(=O)O)cc1OC 17156620 JRKSVIUQRJEQDF-UZNMPDEFSA-N 234.251 2.358 0 40 BEAB CCOc1ccccc1C1=CCNCC1 19811450 DSKRQIMCCMXDBP-UHFFFAOYSA-N 203.285 2.462 0 40 BEAB in-vitro NC[C@@H](c1c(F)cccc1F)N1CCCC1 22220248 XOVXXQWEUKCKQA-NSHDSACASA-N 226.270 2.060 0 40 BEAB CO[C@@H]1C(C)=C(C)C(=O)N1CCC(C)C 23485024 HTMDXERGRYQFHF-GFCCVEGCSA-N 211.305 2.184 0 40 BEAB O=C(O)Cc1cc(-c2ccc(F)cc2F)on1 26421067 AKTIFKJPWGNOGG-UHFFFAOYSA-N 239.177 2.247 0 40 BEAB Fc1ccccc1Cc1nnc(S)o1 26513876 WOIRXSDXFNPZHX-UHFFFAOYSA-N 210.233 2.088 0 40 BEAB Nc1ccc(OC(F)(F)F)c(F)c1F 34174889 SLBZPAVVVANJBN-UHFFFAOYSA-N 213.105 2.446 0 40 BEAB CCCCN1C(=O)CCc2cc(N)ccc21 34936252 FGNRIFONNUAXBE-UHFFFAOYSA-N 218.300 2.348 0 40 BEAB Cc1nn(Cc2ccccc2F)c(C)c1C(=O)O 36778147 MLCBBFGBOHULFG-UHFFFAOYSA-N 248.257 2.386 0 40 BEAB Cc1ccc([C@@H](O)c2ccc3c(c2)OCCO3)o1 40247365 DCRWQZOKXFGGQZ-AWEZNQCLSA-N 246.262 2.441 0 40 BEAB Cn1c(CCCO)nc2cc(Cl)ccc21 40417038 VBCLUIKALRJRGP-UHFFFAOYSA-N 224.691 2.152 0 40 BEAB COCc1ccc(CNC(=O)C(C)(C)C)cc1 40510108 PKCVARCUMAVREW-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB C[C@H](CO)NC(=O)Nc1cccc2c1CCCC2 40526148 NLGKKKJEQDPJSY-SNVBAGLBSA-N 248.326 2.068 0 40 BEAB O=C(NCC(F)(F)F)c1ccc(F)cc1F 42236865 IAAPKPQEHMAGAS-UHFFFAOYSA-N 239.143 2.257 0 40 BEAB FC(F)(F)c1ccc(OC[C@H]2CCNC2)nc1 42774220 KJOILLXQAMNBDA-QMMMGPOBSA-N 246.232 2.089 0 40 BEAB CC(C)[C@H](C/C=C\Cl)C(=O)N(C)C 45331564 MFPMAEZQAUDONN-PGBBXKAQSA-N 203.713 2.489 0 40 BEAB O=C(O)c1cccc(-c2cc(Cl)ncn2)c1 47476126 LZMSCKKGELDRSY-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB O=C(O)c1ccccc1NCC(F)(F)F 50913062 TYQJCIIATXTPRQ-UHFFFAOYSA-N 219.162 2.359 0 40 BEAB in-vitro C(=C/c1ccccc1)\CNCCn1cccn1 51790185 YPFUDMNZQZABCY-XBXARRHUSA-N 227.311 2.186 0 40 BEAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2O 67665120 PPQHNULBCSHICE-ZDUSSCGKSA-N 227.263 2.156 0 40 BEAB in-vitro Cc1cnn([C@@H](C)[C@H](C)NCC2CC2)c1 69491849 HLRPQDKSASNQIN-QWRGUYRKSA-N 207.321 2.141 0 40 BEAB OCc1cc(-c2cccc(Cl)c2)on1 84194197 BBLDPDOSTBIXLM-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB Fc1cc2c(s1)C1(CCNCC1)OCC2 90397756 JWRJYELIMAXNIL-UHFFFAOYSA-N 227.304 2.039 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)CCC[C@H]21 91301907 GRNSGJOKGICXGO-VHSXEESVSA-N 239.315 2.365 0 40 BEAB in-vitro Cc1csc(COc2ccc(N)cn2)n1 96528184 XHNXPBKFNOZWCU-UHFFFAOYSA-N 221.285 2.008 0 40 BEAB CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(=O)O)o1 97020127 CULVGIKEFCRFHK-SFYZADRCSA-N 239.271 2.142 0 40 BEAB C[C@@H]1CCCN(S(C)(=O)=O)c2ccccc21 97114739 GJVMRFJADUJRRS-SNVBAGLBSA-N 239.340 2.350 0 40 BEAB C[C@]1(c2cccc(C(F)(F)F)c2)CNC(=O)C1 97445573 MVKOURBQOWSGLR-LLVKDONJSA-N 243.228 2.483 0 40 BEAB N[C@H]1C[C@@]12CCc1cc(Br)ccc12 127872691 HPLZQVPAYLSJEZ-WDEREUQCSA-N 238.128 2.364 0 40 BEAB COc1cccc(CCCOc2cnn(C)c2)c1 193525409 GONMUJOOBFFWJH-UHFFFAOYSA-N 246.310 2.440 0 40 BEAB CCOC(=O)c1ccc(C)nc1C1CCNCC1 199568019 RVOIFDPUGSXPFG-UHFFFAOYSA-N 248.326 2.034 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2C(=O)CC[C@H]21 202667240 IEBFVLGHXSDASG-VHSXEESVSA-N 239.315 2.365 0 40 BEAB CCc1ccc2nc(C)cc(NCCN)c2c1 222686088 NTLDFRLQKPAQRV-UHFFFAOYSA-N 229.327 2.476 0 40 BEAB c1ccc(-n2cccc2CN2CCOCC2)cc1 226033285 DQMIHVKIONMMCZ-UHFFFAOYSA-N 242.322 2.310 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](CN)C[C@H](C(F)(F)F)C[C@H]2O1 242495141 FWJZILYJODZJNY-SOYHJAILSA-N 237.265 2.327 0 40 BEAB CCO[C@@H](C)n1nc(C2CC2)cc1C=O 408715587 BXHNTEIZYGLMMH-QMMMGPOBSA-N 208.261 2.128 0 40 BEAB CC[C@@H](C)OCc1nn(C)cc1Br 408716885 SFEGEWVULIBNCY-SSDOTTSWSA-N 247.136 2.498 0 40 BEAB CCCn1ncc(-c2n[nH]c(=N)s2)c1C1CC1 408717492 CSEABWPPZFACJF-UHFFFAOYSA-N 249.343 2.102 0 40 BEAB CC(C)(O)Cn1c(N)nc2cc(Cl)ccc21 675081685 ICDXMMXVSHHOGR-UHFFFAOYSA-N 239.706 2.043 0 40 BEAB COc1nscc1NCc1ccn(C)c1 1560575339 HEQXNOOVIUINBG-UHFFFAOYSA-N 223.301 2.102 0 40 BEAB Cc1cc(=S)cc(C)n1CCN(C)C 73566 ALNBECSKIDHCRZ-UHFFFAOYSA-N 210.346 2.396 0 40 BEAB Cc1cc(C)c(Nc2nc(=O)[nH]nc2C)c(C)c1 114354 YSPHDXODWMEBOP-UHFFFAOYSA-N 244.298 2.142 0 40 BEAB C[C@H](CC(=O)c1cccc(F)c1)C(=O)O 2539851 CHYRXHBVBVPCLF-SSDOTTSWSA-N 210.204 2.119 0 40 BEAB in-vitro CC(=O)c1ccc2[nH]cc(C[C@@H](C)N)c2c1 4029007 ZEOIZSIQVVDMLJ-MRVPVSSYSA-N 216.284 2.260 0 40 BEAB biogenic COC(=O)c1cccc(-n2cccc2)c1 6274748 AORPZPNEEGITMY-UHFFFAOYSA-N 201.225 2.264 0 40 BEAB COc1ccc(N)cc1N1CCCCC1 8701848 YPKMWKJKWUFIRV-UHFFFAOYSA-N 206.289 2.268 0 40 BEAB O=Cc1cnc(-c2ccc(F)cc2)nc1 8731031 SIOJHESLZIPEKQ-UHFFFAOYSA-N 202.188 2.095 0 40 BEAB CC(C)c1ccc(NC(=O)CCN)cc1 8732993 VZBANNPDCDVBQO-UHFFFAOYSA-N 206.289 2.097 0 40 BEAB O=Cc1ccc(OC[C@H]2CCCO2)cc1 9256922 XNNTWUIEFDDWBO-GFCCVEGCSA-N 206.241 2.057 0 40 BEAB in-vitro c1ccc2c(c1)CCCN2C[C@@H]1CCCN1 11805263 VPDTYTXECHNYPG-ZDUSSCGKSA-N 216.328 2.191 0 40 BEAB Cc1ncc(C=O)n1Cc1ccccc1 13281804 OYWXYRRKTGPYJB-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB Cc1ccc(Nc2nc(O)nc(N)c2N=O)cc1 18206074 OOXNMSKPNMYDQY-UHFFFAOYSA-N 245.242 2.214 0 40 BEAB Cn1cc(Cl)c([C@@H]2CCCCCN2)n1 19290016 DIEJLNSTLRNAEK-VIFPVBQESA-N 213.712 2.278 0 40 BEAB O=C(O)c1cccc(COC[C@H]2CCCO2)c1 19507333 FRNXPGZQZKFEQO-GFCCVEGCSA-N 236.267 2.080 0 40 BEAB in-vitro CC[C@H](C)NC1CCC2(CC1)OCCO2 19882731 RESQQBQZEPPVGW-JTQLQIEISA-N 213.321 2.060 0 40 BEAB CCN(CC)C(=O)Cc1cccc(F)c1 19934898 SALQAZNQEFLJCG-UHFFFAOYSA-N 209.264 2.237 0 40 BEAB Cc1cc(C)c2c(CC(=O)O)noc2c1 19946253 YEVPEZKRPWQZDX-UHFFFAOYSA-N 205.213 2.072 0 40 BEAB Cc1ccc(-c2cc(CCN)no2)cc1 20270373 MSXMTHHUUZFTEY-UHFFFAOYSA-N 202.257 2.151 0 40 BEAB Cc1cc(C)n(-c2ccc(F)cc2C=O)n1 20417680 FEVOGDZCLKWFLH-UHFFFAOYSA-N 218.231 2.441 0 40 BEAB CCOc1ncccc1NC(=O)c1cccnc1 27587720 FTNCUFWFAIMBGG-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB Cn1ccc(C(=O)COc2cccc(F)c2)c1 35184067 SSLMTWBBVYLCRT-UHFFFAOYSA-N 233.242 2.426 0 40 BEAB Cc1nc2ccc(C(F)(F)F)cn2c1C(=O)O 36244676 PNGQVDCAPQPCCV-UHFFFAOYSA-N 244.172 2.360 0 40 BEAB O=C(O)c1c(Cl)ncn1-c1ccccc1 36390465 MTNIMCUFPQRNDF-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB CCN1CC[C@H](CN[C@@H](C)c2ccccn2)C1 37643909 BEXFJZHWRAPRDI-QWHCGFSZSA-N 233.359 2.074 0 40 BEAB Cc1ncsc1C(=O)N1CCCC[C@H]1C 40530014 YWRNHBFWWBSTNH-MRVPVSSYSA-N 224.329 2.466 0 40 BEAB CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1F 55004671 HRGPLBXYHZBXQI-IUCAKERBSA-N 225.263 2.038 0 40 BEAB CC1=CS(=O)(=O)c2ccc(Cl)cc2O1 67340784 NNDSQDAAHCDHCX-UHFFFAOYSA-N 230.672 2.367 0 40 BEAB CONC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 71915877 RWRLPWVOSOCGRT-QWHCGFSZSA-N 248.326 2.258 0 40 BEAB Clc1ccccc1CNC[C@@H]1CCCN1 72202834 ZUXQKLVADHYGQM-NSHDSACASA-N 224.735 2.182 0 40 BEAB CC(=O)N1CCC[C@H]1c1cccc(C)n1 72211071 QQIVZKKXWJUKPL-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB O=CN1CCC[C@@H]1c1ccc(Cl)nc1 72211439 DUWOTILZZZBIMI-SECBINFHSA-N 210.664 2.028 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cnc(N)c(C)c1 72218474 GRPQKKMQNBDSGS-LBPRGKRZSA-N 233.315 2.046 0 40 BEAB C[C@@H](Oc1c(F)c(F)cc(F)c1F)C(=O)O 72341364 OKTOGTFKLDRTOB-GSVOUGTGSA-N 238.136 2.095 0 40 BEAB CC(C)=CCN1CCC[C@@H]1c1noc(C)n1 75573185 LTUBQWMHTXVRMT-LLVKDONJSA-N 221.304 2.481 0 40 BEAB C[C@@H](CCC(=O)O)C(=O)c1ccccc1 75613020 CVWMDGKRYGCFTF-VIFPVBQESA-N 206.241 2.370 0 40 BEAB OCc1cc(Br)c(F)c(F)c1F 75925995 PRMLCVWLYPTWAH-UHFFFAOYSA-N 241.006 2.359 0 40 BEAB CC(C)(C)[C@@H](N)C(=O)N1CCCCCCC1 77458842 RIDHUMZIKFOLBX-NSHDSACASA-N 226.364 2.153 0 40 BEAB CCSCCn1nnc(-c2ccccc2)n1 78791721 XYLVWFTUMBGMOF-UHFFFAOYSA-N 234.328 2.093 0 40 BEAB Clc1cccc(Cl)c1N1CCNCC1 83357761 JIJMTXRHRBBARH-UHFFFAOYSA-N 231.126 2.403 0 40 BEAB in-vitro CNc1ccc(Nc2ncc(Cl)cn2)cn1 96449389 CNMUYGWYWZKAEV-UHFFFAOYSA-N 235.678 2.310 0 40 BEAB COC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 98181547 DPBGYIFPFFZPSV-UHFFFAOYSA-N 233.267 2.093 0 40 BEAB in-vitro Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)O 106881227 MFOXKHBPVWPFKJ-MRVPVSSYSA-N 203.241 2.040 0 40 BEAB CC(C)Oc1ccc2nc(N)sc2n1 113271252 UOFLBHHNRQELJM-UHFFFAOYSA-N 209.274 2.061 0 40 BEAB CC(C)=CCN1CCOC[C@H]1c1cccn1C 131641990 QFSICWOUCRZDFM-AWEZNQCLSA-N 234.343 2.365 0 40 BEAB CC(C)(C)CNC(=S)Nc1ccncc1 196648904 GPPJMEYFKVYHIY-UHFFFAOYSA-N 223.345 2.414 0 40 BEAB CCOc1ccccc1N(C)CCCC(=O)O 224998145 WUXTWCLVWULQLD-UHFFFAOYSA-N 237.299 2.386 0 40 BEAB CN(C(=O)c1cc(F)c[nH]1)c1ccccc1 336381281 ZAPZQVIBJFJQFV-UHFFFAOYSA-N 218.231 2.430 0 40 BEAB Cc1cc(C(F)(F)F)nn1[C@@H](C)CC(=O)O 408717205 WWHCUHUWODIFML-LURJTMIESA-N 236.193 2.246 0 40 BEAB COC(=O)c1c(C)[nH]c(C(F)F)c1C 575629357 SBOFNSDGDGRCHZ-UHFFFAOYSA-N 203.188 2.356 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1C[Si](C)(C)CC1=O 584905876 SHOIWRAINOYTDW-QMMMGPOBSA-N 243.379 2.171 0 40 BEAB COc1cnc2c(F)cccc2c1C(=O)O 685937663 WRBLHUBSLIUCBD-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB C[C@H]1CCN(C)c2c(C(=O)O)cccc21 1537958137 RINRGENDUYVXMQ-QMMMGPOBSA-N 205.257 2.328 0 40 BEAB c1csc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)n1 1889061771 PRHRPPBPFVVFSE-GHMZBOCLSA-N 249.383 2.064 0 40 BEAB Cc1ccc([C@@]2(C)NC(=O)CS2)cc1 478086 QYSRSSSHWMIQKT-NSHDSACASA-N 207.298 2.031 0 40 BEAB COC(=O)c1ccccc1C1O[C@H](C)[C@@H](C)O1 1689196 BMVDTVSDUHVMLX-RKDXNWHRSA-N 236.267 2.296 0 40 BEAB Cc1ccc(C(=O)OCC(=O)c2ccc[nH]2)s1 3430336 IHJDQINDTGFENU-UHFFFAOYSA-N 249.291 2.424 0 40 BEAB COCCNCc1ccc(C(F)(F)F)cc1 4700622 KOJPYZVMNIQYAM-UHFFFAOYSA-N 233.233 2.441 0 40 BEAB O=S1(=O)CCC/C1=C\c1ccccc1 5052548 BCCZOOCVWHTLCH-PKNBQFBNSA-N 208.282 2.236 0 40 BEAB C[C@@H]1[C@H](c2ccccc2)OCCN1C(=N)S 6441835 PXHKIOCZVKFUEC-MWLCHTKSSA-N 236.340 2.313 0 40 BEAB Cc1c(N)cnn1Cc1ccc(Cl)cc1 16970535 SLKQURZVRNTRNU-UHFFFAOYSA-N 221.691 2.475 0 40 BEAB O=C(Cc1ccccc1F)Nc1ccncc1 17584943 TYNOTPFBXITTFP-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB NC1CCN(Cc2ccc3ncccc3c2)CC1 20247795 RPQVKKJYFOQEAX-UHFFFAOYSA-N 241.338 2.158 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCc1ccccc1CN(C)C 21938372 IIEYIRRJWJSYKQ-FZMZJTMJSA-N 246.354 2.020 0 40 BEAB CN1CCN(c2nsc3ccccc23)CC1 34120547 YAZXDEHXEQGPPE-UHFFFAOYSA-N 233.340 2.048 0 40 BEAB COc1ccc(Cn2nc(C)c(C=O)c2C)cc1 36868031 MVTAXJHLUMWNBU-UHFFFAOYSA-N 244.294 2.369 0 40 BEAB COC(=O)c1cc2nc(C(F)(F)F)ccc2[nH]1 37593625 UTXWOBGBLLJBQO-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB Cc1c(-c2ccccc2)nn(C)c1C(=O)O 39625866 KNSJVXPEXYYRBS-UHFFFAOYSA-N 216.240 2.094 0 40 BEAB CNc1nccc(OCc2ccccc2)n1 40449140 PPFRAYUPDAVQMT-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB CC1CCN(C(=O)Nc2cccnc2)CC1 40474188 HYFMAKRGIFZRNC-UHFFFAOYSA-N 219.288 2.345 0 40 BEAB C[C@H]1CCCN(CC[C@@H]2CCCNC2)C1 42783358 HWKYDYXTLASTBO-STQMWFEESA-N 210.365 2.108 0 40 BEAB Cc1ccc(N[C@@H]2CCCNC2)cc1C 43324194 SCYFXPDVQIGJTF-CYBMUJFWSA-N 204.317 2.467 0 40 BEAB Cc1ccc(OCc2ccc(C(=O)O)o2)c(N)c1 47474196 MPIGMMFWOITZLC-UHFFFAOYSA-N 247.250 2.447 0 40 BEAB C[C@H]1CN(Cc2cccc(F)c2F)CCO1 54172368 UZISXBYHRQHUDI-VIFPVBQESA-N 227.254 2.186 0 40 BEAB Fc1cccnc1NCc1ccccn1 54700535 AFSQVHAHKXUZON-UHFFFAOYSA-N 203.220 2.228 0 40 BEAB CN(C)C(=O)/C=C/c1cccc(Cl)c1 58059776 WNPFEGIQIMJSGJ-VOTSOKGWSA-N 209.676 2.441 0 40 BEAB O=[S@@](O)Cc1ccc(OC(F)(F)F)cc1 59526981 PGRAVMAFVHJRMA-UHFFFAOYSA-N 240.202 2.307 0 40 BEAB Cc1cccc([C@@H]2CCCN2CCOCCO)c1 69979615 RPNQTJMJUDHERR-HNNXBMFYSA-N 249.354 2.141 0 40 BEAB COC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 71257526 FZOFMKCQDCVJKS-JTQLQIEISA-N 229.320 2.280 0 40 BEAB CC(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1 71902928 FAINOKJHGNPYSO-OLZOCXBDSA-N 219.284 2.123 0 40 BEAB O=CN1CCCC[C@@H]1c1cccnc1Cl 72211530 AUPDGQDOHOFIQA-SNVBAGLBSA-N 224.691 2.418 0 40 BEAB Cn1c(-c2ccc(=O)[nH]c2)nc2cc(F)ccc21 75120262 YSCZILLIOBEQFE-UHFFFAOYSA-N 243.241 2.068 0 40 BEAB COc1ccc(C(=O)OCC2CC2)cc1OC 78411266 BGVWEVFCGSVQCB-UHFFFAOYSA-N 236.267 2.271 0 40 BEAB CC[C@H](C)[C@@](C)(O)CNc1ccccn1 79002730 OBFAPYFPDNKHGS-JQWIXIFHSA-N 208.305 2.291 0 40 BEAB COCC(=O)N(CC1CCC1)c1ccccc1 84243676 XFZNYCOWHKPIMB-UHFFFAOYSA-N 233.311 2.466 0 40 BEAB COC[C@@H](NC1Cc2ccccc2C1)C1CC1 90716695 ARZKJPFKROZFQF-OAHLLOKOSA-N 231.339 2.168 0 40 BEAB Cc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1 91364267 CRJQXLOMFQRQSP-UHFFFAOYSA-N 223.667 2.214 0 40 BEAB C[C@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@@H]2N1 96510250 VDOFOLSTKIOEDA-UISBYWKRSA-N 217.316 2.203 0 40 BEAB Cc1ocnc1C(=O)Nc1ncccc1Cl 97046944 SLFKTNFBMFCDRR-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB Cc1cc([C@@H](C)NCc2nnc(C)o2)c(C)o1 97112016 CVBTZTJDPZGDED-MRVPVSSYSA-N 235.287 2.439 0 40 BEAB C[C@H]1COC[C@@H](C)N1C(=O)CSC(C)(C)C 98012936 YWXFLDBTTFAXPN-AOOOYVTPSA-N 245.388 2.154 0 40 BEAB C[C@H](Cc1c(Cl)cccc1Cl)NN 161777542 BDHRUHANNZTTDR-ZCFIWIBFSA-N 219.115 2.388 0 40 BEAB C[C@@H](NN)c1cc(F)c(Cl)cc1F 161800055 GPLFAOOHQUNTNT-SCSAIBSYSA-N 206.623 2.143 0 40 BEAB CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 221224811 ZZRYPMYWCVOBGA-NXEZZACHSA-N 229.320 2.014 0 40 BEAB CC(=O)c1ccc(-c2cccs2)[nH]c1=O 225815484 SNGFJMODTJRXMY-UHFFFAOYSA-N 219.265 2.306 0 40 BEAB OCc1cnc(NC2CCC2)c(Cl)c1 252493145 NADCHIZKTNAYIT-UHFFFAOYSA-N 212.680 2.192 0 40 BEAB COc1ccc(C(=O)C(F)(F)F)cc1C=O 1504245119 ULDMDTRQLTTWAA-UHFFFAOYSA-N 232.157 2.253 0 40 BEAB COC1=Nc2c(C)ccc[n+]2C=C(O)CC1 491010 LVWGPXWQAQJVDN-UHFFFAOYSA-O 219.264 2.109 0 40 BEAB biogenic CC1=N/C(=C/c2ccccc2F)C(=O)O1 1513608 JIDVSXGXSILSBZ-UXBLZVDNSA-N 205.188 2.142 0 40 BEAB COC(=O)CCC(=O)c1cccc(C)c1 1734339 XONSIBBOGNURFC-UHFFFAOYSA-N 206.241 2.131 0 40 BEAB Nc1cnn(COc2ccccc2Cl)c1 2535033 BVGLCOCXWJCHGX-UHFFFAOYSA-N 223.663 2.155 0 40 BEAB O=C(O)c1ccc(C(F)(F)Cl)nc1 2540174 YFQALOAFAGQMLG-UHFFFAOYSA-N 207.563 2.068 0 40 BEAB O=C(/C=C/c1ccc(F)cc1)Nc1ccon1 2641656 XBKLTLFVJCLJFN-ZZXKWVIFSA-N 232.214 2.466 0 40 BEAB O[C@@H]1[C@H]2CC[C@@H]1CC[C@H]2N1CCCCC1 4336982 OTFFUZVPVSDGHV-XQHKEYJVSA-N 209.333 2.022 0 40 BEAB O=c1nc(SC2CCCC2)nc2ccccn12 4499712 WBOOKHNHGGGDHS-UHFFFAOYSA-N 247.323 2.124 0 40 BEAB COc1cc(C=O)ccc1OCc1ccccn1 8702286 RHPXLDIXJSMPSX-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB C[C@H]1CCC[C@@H](C)N1Cc1cn2cccnc2n1 11535765 CNUIWRNWXOBHGL-TXEJJXNPSA-N 244.342 2.492 0 40 BEAB CCOc1ccc(OC[C@@H]2CCCNC2)cc1 14631251 GXAYXYOWCPRUAQ-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB COC(=O)c1cccc(Cc2cnc(N)s2)c1 22151206 TWGISNRGIQWJDB-UHFFFAOYSA-N 248.307 2.103 0 40 BEAB in-vitro c1ccc2c(c1)CCN2c1ncnc2n[nH]cc12 31807626 LNYVXNLQEVHURX-UHFFFAOYSA-N 237.266 2.047 0 40 BEAB NCC(=O)c1ccc(OCc2ccccc2)cc1 34324808 YHJKYNMAHQSKPP-UHFFFAOYSA-N 241.290 2.407 0 40 BEAB CCOC(=O)CCN[C@H]1CCCC[C@@H]1C 36667561 XKHGOPJHZZPKGU-QWRGUYRKSA-N 213.321 2.108 0 40 BEAB CCN(CC)[C@@](C)(C(=O)O)c1ccc(F)cc1 37360526 BUBOIDHBKWDONM-CYBMUJFWSA-N 239.290 2.467 0 40 BEAB O=CNCc1ccc(Cl)cc1Cl 38534542 RSXOASQFXMIGOZ-UHFFFAOYSA-N 204.056 2.239 0 40 BEAB CCCC(=O)N1CCC[C@@H]1c1cccn1C 40473066 KBLZVTMYOSFSGG-GFCCVEGCSA-N 220.316 2.489 0 40 BEAB C[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 41452835 YSEDDFMFLJVIRO-VIFPVBQESA-N 234.299 2.424 0 40 BEAB O=C(Cc1ccccc1)OCC[C@@H]1CCCNC1 42768754 NHQCVGAXKQZNIH-AWEZNQCLSA-N 247.338 2.162 0 40 BEAB COC(=O)CCC(=O)c1cc(C)cc(C)c1 43393240 ROFWMJXARBFQKI-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB Cc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)[nH]n1 49047182 MUCKZXZPIOWOKL-NEPJUHHUSA-N 241.294 2.004 0 40 BEAB CCC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2C 57280506 IJEHKYQCFXUCLC-UHFFFAOYSA-N 246.310 2.289 0 40 BEAB CCc1cccc(OCC(=O)N2CCCC2)c1 58080539 VZMUESYDIUNXFS-UHFFFAOYSA-N 233.311 2.250 0 40 BEAB CCN(CC)C(=N)Nc1ccc(NC(C)=O)cc1 59497714 KLLPESCZURIBBJ-UHFFFAOYSA-N 248.330 2.333 0 40 BEAB CC(C)(C)OC(=O)Cc1cccc(O)c1 59719485 FATJQJBKBKEGNL-UHFFFAOYSA-N 208.257 2.276 0 40 BEAB in-vitro CCN(CC)CC(=O)N[C@H](C)CCC(C)C 66406280 IDAXKZWZMLTBGU-GFCCVEGCSA-N 228.380 2.269 0 40 BEAB CN1CCC(COc2c(N)cccc2F)CC1 67800858 YHSBXNIFUWJADM-UHFFFAOYSA-N 238.306 2.129 0 40 BEAB COCC(=O)Nc1ccccc1OC(C)C 70255226 PHEFGBGKTRERAF-UHFFFAOYSA-N 223.272 2.059 0 40 BEAB Fc1ccc2c([C@H]3CCNC3)c[nH]c2c1 70453471 BVCGGWSWVISFKH-QMMMGPOBSA-N 204.248 2.384 0 40 BEAB Cc1ncc(C(=O)OCc2ccoc2)s1 71803819 QOJBHERWWPVZKW-UHFFFAOYSA-N 223.253 2.402 0 40 BEAB CC[C@H](O)c1cnc(N(C)CC)cc1C 72223236 YMPGOUCGWWLYSY-NSHDSACASA-N 208.305 2.290 0 40 BEAB COc1ccc(-c2nnc([C@@H](C)N)s2)cc1 75091355 OFQHOTYMDUXNGN-SSDOTTSWSA-N 235.312 2.233 0 40 BEAB CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)C(C)(C)C 78705658 DZNOWXWFDKWZBM-LBPRGKRZSA-N 245.319 2.401 0 40 BEAB O=C1[C@H](SC2CCCC2)CCN1C1CC1 89818168 PIBOISKLYNDWTH-LLVKDONJSA-N 225.357 2.426 0 40 BEAB O=C(O)c1ccc(C(=O)c2cccc(O)c2)cc1 95883986 RFVCNOQBECTQJN-UHFFFAOYSA-N 242.230 2.321 0 40 BEAB O=C(Nc1nc(C2CC2)no1)C1CCCCC1 96407935 HWJZWBXDOXKGSI-UHFFFAOYSA-N 235.287 2.466 0 40 BEAB O=C(Nc1cnccn1)OCc1ccccc1 96509960 NJMLIGKZNNQCAK-UHFFFAOYSA-N 229.239 2.225 0 40 BEAB Cc1cc(Cn2ccc(=O)c3sccc32)on1 97002798 GEPLKZAJKCXEQV-UHFFFAOYSA-N 246.291 2.408 0 40 BEAB CCOCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C 97055463 ASAYBBAIOLSNKU-XHDPSFHLSA-N 247.338 2.381 0 40 BEAB Nc1cc(-c2cc(F)ccc2O)ccn1 98175378 JMNLKCVCTPHIIV-UHFFFAOYSA-N 204.204 2.176 0 40 BEAB Cc1nc(-c2ccccc2F)c(N)n1C 100761188 LPZJMMDEAOHNDC-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB CCCc1nnc(N[C@H]2C[C@@H]3CC[C@@H]2O3)s1 102679839 GUDPVBZZVAGIPZ-CIUDSAMLSA-N 239.344 2.222 0 40 BEAB CC[C@H]1c2ccccc2CCN1C[C@@H](O)COC 106853701 MWEMIJOSGBKUCA-HIFRSBDPSA-N 249.354 2.003 0 40 BEAB CC(C)(C)n1nc(C(=O)O)cc1C(F)(F)F 114905744 QSVVUKAKSJABTQ-UHFFFAOYSA-N 236.193 2.355 0 40 BEAB CC(C)(C)OC(=O)NCC12CCC(CN)(C1)C2 306145375 CTMNBECSEJDJCQ-UHFFFAOYSA-N 240.347 2.030 0 40 BEAB Oc1ccc(-c2cnc(N3CCCC3)nc2)cc1 1241062408 ABWSBGMIXXKOOS-UHFFFAOYSA-N 241.294 2.449 0 40 BEAB COc1ccc(C(=O)Nc2nnc(C)s2)cc1 207324 GDUHPESFPOUUSL-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB O=C(c1cnccn1)N1CCC[C@H]2CCCC[C@H]21 40473446 IDIZFMNUEFVPKB-DGCLKSJQSA-N 245.326 2.271 0 40 BEAB CCN(CC)CCOC(=O)c1ccccc1C 1674084 MQWNELMTEQGJRG-UHFFFAOYSA-N 235.327 2.494 0 40 BEAB CC[C@@]1(C(=O)O)O[C@@]1(C)c1cccs1 1675750 ORVSBSUQWSVTII-UWVGGRQHSA-N 212.270 2.227 0 40 BEAB O=C(O)[C@H]1CCCN(Cc2cccs2)C1 3750162 NNJNATRFOTXJSW-VIFPVBQESA-N 225.313 2.045 0 40 BEAB Cc1oc(C(C)(C)C)c(CO)c1C(=O)O 376463 FDSKGVGFTCCVAG-UHFFFAOYSA-N 212.245 2.076 0 40 BEAB in-vitro CCCC(=O)Nc1nnc(SCC)s1 383521 DOECMAUHDYYEDA-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB C[C@@]1(c2ccccn2)NC(=O)c2ccccc2N1 32666117 DKVAJKLDHDZPMD-AWEZNQCLSA-N 239.278 2.110 0 40 BEAB O=C(NC1CCC1)c1ccc(Cl)nc1 52210573 LGBKJGMARALCST-UHFFFAOYSA-N 210.664 2.017 0 40 BEAB CC[C@H]1N=C(c2ccccc2)SCN1 41124480 QQOYGYGODQFNOS-SNVBAGLBSA-N 206.314 2.463 0 40 BEAB CC(=O)Oc1ccc(C(C)C)cc1C(=O)O 57339553 FNVQEACSDAFBQW-UHFFFAOYSA-N 222.240 2.434 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 103539730 KAVQNCGGFFBHEO-JGPRNRPPSA-N 240.347 2.042 0 40 BEAB CSCC(=O)N(C)c1ccc(F)cc1 55745395 FDMZRWKDEJFVSE-UHFFFAOYSA-N 213.277 2.152 0 40 BEAB CCCCNC(=O)Nc1nc2ccccc2n1C 27923815 RZVGSSRKQDCIOF-UHFFFAOYSA-N 246.314 2.495 0 40 BEAB Cc1ccc(OCCCC(=O)N(C)C)cc1 47651792 RBPQZGIXJYSZLJ-UHFFFAOYSA-N 221.300 2.242 0 40 BEAB COCCNc1ncnc2sc3c(c12)CCC3 12598665 MHXCIBAQQKGOGI-UHFFFAOYSA-N 249.339 2.238 0 40 BEAB CN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 12535414 UFCYACQPYURKPT-UHFFFAOYSA-N 249.701 2.432 0 40 BEAB CC(C)[C@H](C(=O)O)n1cnc2ccccc21 10382587 WOKGHWATADTGIN-LLVKDONJSA-N 218.256 2.318 0 40 BEAB Cc1cnc(C(=O)NCc2ccc(C)s2)cn1 48356600 DNEGZLYFYJKEPY-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB Cc1csc(SCc2noc(C)n2)n1 48309274 YEUNOOVYUCPFRJ-UHFFFAOYSA-N 227.314 2.435 0 40 BEAB CC(C)CN1CCN(C(=O)c2ccccc2)CC1 70242933 CGJYNMOOKCLKNW-UHFFFAOYSA-N 246.354 2.100 0 40 BEAB Cn1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cn1 8095593 JSBKKIAMBYPNQL-VXGBXAGGSA-N 247.342 2.072 0 40 BEAB Cc1ccc(CN(CCO)Cc2ccc(C)o2)o1 4699212 IXKAJFWCCPHEKY-UHFFFAOYSA-N 249.310 2.484 0 40 BEAB CC[C@@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 5576009 MZTIDXRCGRYYCF-YIBTVLSRSA-N 237.343 2.297 0 40 BEAB CC(C)CN1CCC[C@H]1c1cnn(C)c1 71797190 JITXVPRJCLBRQU-LBPRGKRZSA-N 207.321 2.213 0 40 BEAB CC[C@@H](N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208754 KLYQWOXEDGDKEN-GHMZBOCLSA-N 242.363 2.371 0 40 BEAB C[C@H](N)[C@@H](O)c1ccc(Cl)cc1Cl 20216937 MJRZLMVDAYXNBF-SSDLBLMSSA-N 220.099 2.374 0 40 BEAB CCNC(=O)N1CCCC[C@H]1CCOC(C)C 78806327 FMKSZZJFLHCTLD-LBPRGKRZSA-N 242.363 2.386 0 40 BEAB CC(C)(C)C[C@H](O)CN[C@H]1CCCSC1 95454556 SXCCVSNDJSAWEL-QWRGUYRKSA-N 231.405 2.269 0 40 BEAB CCNC(=O)N(Cc1ccccc1)CC(F)F 79068115 MCESHVZIWNXQFM-UHFFFAOYSA-N 242.269 2.483 0 40 BEAB CC(C)C[C@@H](C)NCCC(=O)NC1CCCC1 95967407 PBNAEEWTFKCQNC-GFCCVEGCSA-N 240.391 2.460 0 40 BEAB FC(F)(F)c1cc(-n2cnnn2)ccc1Cl 408720569 VAZXXWMCOAMILD-UHFFFAOYSA-N 248.595 2.335 0 40 BEAB CCOC(=O)[C@H](C)Nc1ccc(OC)cc1 37953077 ZHRAVGUDFQEZHF-VIFPVBQESA-N 223.272 2.059 0 40 BEAB CNc1ccc([C@H](O)c2ccccc2)cn1 72225108 AOVLNSRJRNCEGA-CYBMUJFWSA-N 214.268 2.205 0 40 BEAB CCCNc1ncccc1[C@H]1CCCN1 72213117 XCHRFGZPYMEFFY-LLVKDONJSA-N 205.305 2.328 0 40 BEAB c1cc(CN2CCC[C@@H]2c2cnccn2)ccn1 72357071 HCGBSLBEEZWPGV-CQSZACIVSA-N 240.310 2.209 0 40 BEAB CC/C=C(/C)C(=O)NCc1ccc(C)n1C 79042767 DGJUTURKLSDXPX-POHAHGRESA-N 220.316 2.306 0 40 BEAB c1cnc2nc(CC[C@@H]3CCNC3)ccc2c1 1565504645 XHSGCUKRFWLWSE-LLVKDONJSA-N 227.311 2.172 0 40 BEAB O=Cc1nc(-c2cccc(OC(F)F)c2)no1 89262095 GWCVHQGMXJBRBF-UHFFFAOYSA-N 240.165 2.151 0 40 BEAB NC(=O)/C=C\c1ccc(-c2ccccc2)o1 44260439 RLKKDOYDGJQVLP-CLFYSBASSA-N 213.236 2.445 0 40 BEAB Cc1cc(C)c(OC2CNC2)c(Cl)c1 42769604 MKCPAKZFFOTCED-UHFFFAOYSA-N 211.692 2.307 0 40 BEAB CN(CC(=O)O)c1cccc(C(F)(F)F)c1 82713112 IJKUEFXBUINYRB-UHFFFAOYSA-N 233.189 2.226 0 40 BEAB CC(C)c1noc([C@H](C)N2CCSCC2)n1 47986445 CKMWLWJGLZQPOZ-VIFPVBQESA-N 241.360 2.303 0 40 BEAB N=C(Cc1ccc(F)c(C(F)(F)F)c1)NO 228915165 MXQKEKRNBDWAJT-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB CC(=O)c1ccc(-c2n[nH]c(=S)n2C)cc1 199735602 QZIRTNXGKVFRHH-UHFFFAOYSA-N 233.296 2.347 0 40 BEAB COCCC(=O)Nc1ccc(Cl)cc1O 96484161 LJIKDGDXJJLRLA-UHFFFAOYSA-N 229.663 2.021 0 40 BEAB Cc1ncsc1CN1C[C@@H]2C[C@@H](C)O[C@@H]2C1 96045742 PXIQIYUNNIWEQS-DVVUODLYSA-N 238.356 2.061 0 40 BEAB COc1cc(F)c(Br)cc1CO 90727474 PIQKTQNGUGJNSD-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CC(C)n1ccnc1C(=O)[C@@H]1CCCOC1 242548041 LAOUXJZCFPSTMX-SNVBAGLBSA-N 222.288 2.073 0 40 BEAB Cc1cn(C)nc1NCc1cnn(C(C)C)c1 256052532 NSDKTOAUTYEGMT-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB COc1ccc(C)cc1[C@H](O)c1cccn1C 95727837 PWOLSSUCRVKYSA-AWEZNQCLSA-N 231.295 2.424 0 40 BEAB CC[C@H](C)C(=O)N(CCO)Cc1ccccc1 55470301 XNKGXJIQZQDYSW-LBPRGKRZSA-N 235.327 2.054 0 40 BEAB COc1ccc(C(=O)N(C)c2ccccc2)cn1 53066852 KWZWRGPZBPPDOF-UHFFFAOYSA-N 242.278 2.367 0 40 BEAB C[C@@H](CC(=O)N(C)C)c1ccccc1F 95408238 BTXGSBOSMWEXLY-VIFPVBQESA-N 209.264 2.408 0 40 BEAB Cc1ccccc1OC[C@@H](O)CN1CCCCC1 895918 BVEROKWZMYREBD-AWEZNQCLSA-N 249.354 2.221 0 40 BEAB O=C(CC(=O)C(F)(F)F)Nc1cccc(F)c1 100645376 RYSVTLONGDMNCU-UHFFFAOYSA-N 249.163 2.286 0 40 BEAB Cc1nnc(N(C)Cc2ccc(O)cc2)s1 225536760 IGNMXUIVEZATSR-UHFFFAOYSA-N 235.312 2.189 0 40 BEAB C[C@@H]1CCCC[C@@H]1N(C)CCn1ccnc1 119999091 ANXANKBEWPXVKS-OLZOCXBDSA-N 221.348 2.394 0 40 BEAB CCc1ccccc1OCCCC(=O)O 11797918 VVJCQWSATQVHBQ-UHFFFAOYSA-N 208.257 2.493 0 40 BEAB CC1=NN(C(=S)c2ccccc2)[C@](C)(O)[C@@H]1C 150199719 INXJHTGIABOSIG-NOZJJQNGSA-N 248.351 2.398 0 40 BEAB C(=C\c1nnc2ncccn12)\c1ccccc1 5574642 MARUCCNDODCYDL-FPLPWBNLSA-N 222.251 2.295 0 40 BEAB COc1cccc(OC)c1C1=NC(C)(C)CO1 156362 ROAVQVZZFABISD-UHFFFAOYSA-N 235.283 2.259 0 40 BEAB S=C([C@@H]1COc2ccccc2O1)N1CCCC1 536618 WBWKEVIKBCODCW-LBPRGKRZSA-N 249.335 2.250 0 40 BEAB CC(=O)c1ccc(NC(=O)[C@@H](C)NC(C)C)cc1 3326006 TYIQCXFNQWXYBT-SNVBAGLBSA-N 248.326 2.214 0 40 BEAB O=C(O)c1ccc2c(C(=O)O)cccc2c1 4776027 VAWFFNJAPKXVPH-UHFFFAOYSA-N 216.192 2.236 0 40 BEAB O=C1[C@@H]2CCCCN2C(=S)N1c1ccccc1 6096748 SUDAWXPSCFXQTB-NSHDSACASA-N 246.335 2.173 0 40 BEAB C[C@H](C(=O)N(C)c1ccccc1)n1cccn1 12987491 GHVQVZAJCYTAKH-LLVKDONJSA-N 229.283 2.107 0 40 BEAB CN(C)CC(C)(C)CNC(=O)Nc1ccccc1 13576482 JULQLXOWTGKYMT-UHFFFAOYSA-N 249.358 2.396 0 40 BEAB FC(F)(F)c1ccc(CC2CNC2)cc1 22161039 LKQSQGRQJBWRGK-UHFFFAOYSA-N 215.218 2.467 0 40 BEAB in-vitro Cc1nccn1COCc1ccccc1 34462623 CVZMWXOKPUFNGJ-UHFFFAOYSA-N 202.257 2.366 0 40 BEAB CCOc1ccc2c(c1)O[C@@]1(C=C2)CCNC1 36141894 FUYNGLYUJAKBTP-AWEZNQCLSA-N 231.295 2.223 0 40 BEAB CC(C)(C)c1noc2ncc(C(=O)O)cc12 38342091 KFDBNPDVIQMHPC-UHFFFAOYSA-N 220.228 2.219 0 40 BEAB in-vitro CONC(=O)c1csc(-c2ccccc2)n1 40476701 WKTZUHSAPNDSJH-UHFFFAOYSA-N 234.280 2.101 0 40 BEAB COc1ccc([C@@H](O)CNCC(C)(C)C)cc1 40493373 VRXZEZKFNQWBQL-ZDUSSCGKSA-N 237.343 2.364 0 40 BEAB CCCOc1ccc(OC[C@H]2CCNC2)cc1 42773079 PRGMDVLYAQNRSW-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB Clc1cccc(NC[C@@H]2CCCO2)n1 42783997 KYIJOIUDNHQPIL-QMMMGPOBSA-N 212.680 2.326 0 40 BEAB OCCN(Cc1ccccc1Cl)C1CC1 48065323 BPVYWFWJIDTCEK-UHFFFAOYSA-N 225.719 2.297 0 40 BEAB CC(=O)N1CCCN(CC2CCCCC2)CC1 53457370 GZLMYGQLTCQOGI-UHFFFAOYSA-N 238.375 2.121 0 40 BEAB O=C(NC[C@@H]1CCCNC1)C1CCCCCC1 53713931 YGINFDZEYOAKNX-GFCCVEGCSA-N 238.375 2.073 0 40 BEAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCO1 58402074 SZEUGIHAAVLXED-LBPRGKRZSA-N 242.278 2.352 0 40 BEAB O=C(O)Cc1csc(-c2ccoc2)n1 63046709 AZKWQASCXRSDHI-UHFFFAOYSA-N 209.226 2.030 0 40 BEAB in-vitro CC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 69271697 BRZIDNQMHUVUAM-OLZOCXBDSA-N 233.311 2.229 0 40 BEAB COc1cccc(OC)c1[C@@H]1CCCN1C 72221406 USACXLUEJHRHBS-JTQLQIEISA-N 221.300 2.471 0 40 BEAB COc1ccc(C(=O)c2ccccc2)cn1 72225043 NUGXNQPBORDCFD-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB CCCc1c(C(=O)O)sc(=S)n1C 72408206 HBDADWUVCDDEDO-UHFFFAOYSA-N 217.315 2.467 0 40 BEAB O=C(O)CCCc1c(F)cccc1F 78782539 XHPRQHISRGHFBW-UHFFFAOYSA-N 200.184 2.372 0 40 BEAB CC(C)(C)OC(=O)Nc1nccc2nc[nH]c12 89203063 WUULPJCPVQBJNO-UHFFFAOYSA-N 234.259 2.305 0 40 BEAB C[C@@H]1CN(Cc2ccon2)C[C@@H](C)S1 89937105 NLYZUGFAXNYEPE-RKDXNWHRSA-N 212.318 2.000 0 40 BEAB O=C(c1cccc(Cl)n1)C(F)(F)F 91356137 QERWSIMZVTWIGA-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB CCCC(=O)O[C@@H](C)Cc1cccnc1 95463456 HFGXTMRSKCIVPY-JTQLQIEISA-N 207.273 2.356 0 40 BEAB CCOC(=O)c1cc(Cl)nc(Cl)c1N 95704709 ZBHSEGWPJCOBKP-UHFFFAOYSA-N 235.070 2.147 0 40 BEAB COCc1ccc(Br)c(N)c1 98180734 SHDLYDHKNSHNII-UHFFFAOYSA-N 216.078 2.178 0 40 BEAB N=c1c2ccccc2nc2n1CCCCC2 100429693 SWBGVEITZMQLIH-UHFFFAOYSA-N 213.284 2.242 0 40 BEAB in-vitro BrC1=C[C@H]2CC=CC[C@H](C1)N2 100485353 ZBOJQGQSDVXMFH-RKDXNWHRSA-N 214.106 2.346 0 40 BEAB CC[C@@H](C)C(=O)NCCc1cccc(C(=O)O)c1 104266060 NIJKJYRKKGTJCR-SNVBAGLBSA-N 249.310 2.090 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@H]2[C@H](C)O)c1 108350716 XIQGGSRGDTUMQB-HJIKLVIJSA-N 222.284 2.188 0 40 BEAB Cc1occc1SCc1nnnn1C(C)C 131302157 NPNGPHBMRIONTJ-UHFFFAOYSA-N 238.316 2.448 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](F)CN1Cc1ccccc1 169418896 ALCMKVGJKDMLQH-NEPJUHHUSA-N 237.274 2.074 0 40 BEAB COCCCNCc1ccn(C(C)C)c1 223692308 DUFILSKQYZZQJD-UHFFFAOYSA-N 210.321 2.195 0 40 BEAB CO[C@@H](Cc1cc(Cl)ccc1C)C(=O)O 225078424 MLUOBJMDEUBLJS-JTQLQIEISA-N 228.675 2.291 0 40 BEAB COC(CN1CC[C@H](c2cccc(C)c2)C1)OC 225452269 TVZFKHABADJPKX-AWEZNQCLSA-N 249.354 2.403 0 40 BEAB CCCNCc1cccc(C(=O)OCC)c1 685936927 CPGBVDCUDBRXMQ-UHFFFAOYSA-N 221.300 2.363 0 40 BEAB CSc1nccc(=NCCc2ccccc2)[nH]1 1889136286 RGLHOHPEKDRIFR-UHFFFAOYSA-N 245.351 2.275 0 40 BEAB COC(=O)C[C@@]1(O)C=CCC[C@H]1c1ccccc1 1632468 YTNVBQYOPKQGNS-ZFWWWQNUSA-N 246.306 2.414 0 40 BEAB COc1ccc(CCC2(C)OCCO2)cc1 1666203 MEPBKBTZPPKVTP-UHFFFAOYSA-N 222.284 2.391 0 40 BEAB CC(C)Sc1nnc(NC(=O)C2CC2)s1 4079469 BXUJCWDYZRWVHH-UHFFFAOYSA-N 243.357 2.387 0 40 BEAB CC(=O)N1N=C(C)C[C@@H]1c1ccccc1 4599813 DFKZGQLECGUOJV-GFCCVEGCSA-N 202.257 2.356 0 40 BEAB CCc1ccc(NC(=O)N2CCOCC2)cc1 5471067 LAKDEKVQVRGXFC-UHFFFAOYSA-N 234.299 2.113 0 40 BEAB Cc1ccc(CN(C)C(=O)c2c(C)noc2C)o1 6993494 HYELVLYJFQALEL-UHFFFAOYSA-N 248.282 2.465 0 40 BEAB CNCCOc1ccccc1C(F)(F)F 14628578 LCZNLBWWFAZBTF-UHFFFAOYSA-N 219.206 2.304 0 40 BEAB COC[C@H](C)NC(=S)Nc1ccccc1 16211754 WBFJFZZBHFQHMZ-VIFPVBQESA-N 224.329 2.008 0 40 BEAB Cc1cccc(C(=O)Nc2ncc(C)s2)n1 24601925 KYUFJUMCBQKNRI-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Cc1ccc(CN(C)C(=O)NC2CC2)cc1 26518621 NMWSISQYJLDRIE-UHFFFAOYSA-N 218.300 2.299 0 40 BEAB N[C@H](C(=O)Cc1ccccc1)c1ccccc1 34566575 AVNHUMRHWIRPDF-HNNXBMFYSA-N 225.291 2.498 0 40 BEAB Fc1ccc(CO[C@@H]2CCCNC2)cc1F 35781797 SGKRQQQXDMNSMA-SNVBAGLBSA-N 227.254 2.233 0 40 BEAB COC(=O)CC(=O)Cc1ccc(Cl)cc1 36532650 CAZZOLHYAAIMBN-UHFFFAOYSA-N 226.659 2.015 0 40 BEAB Cc1cc(NC(=O)CCc2cccs2)n(C)n1 40072606 FILMZTLDJRGFRE-UHFFFAOYSA-N 249.339 2.361 0 40 BEAB c1ccc2c(c1)CC[C@]1(C2)NCCS1 43827601 VIZRDYJMUOJXHE-LBPRGKRZSA-N 205.326 2.208 0 40 BEAB NC(=O)/C=C\c1cccc(Cl)c1Cl 44258691 QDCCBUWHPQGTPE-PLNGDYQASA-N 216.067 2.492 0 40 BEAB CC(C)NC[C@H]1CCc2ccccc2O1 51230804 JEZZVJUYDDHQMU-GFCCVEGCSA-N 205.301 2.378 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@@H](C)NC1CC1 64875582 KEJXOCOYNANZNH-LLVKDONJSA-N 232.327 2.382 0 40 BEAB CC(C)(C)NC(=O)c1ccc(C=O)cc1 66607006 DGUSJCIMVOPGQK-UHFFFAOYSA-N 205.257 2.027 0 40 BEAB CCOC(=O)c1cc(C=O)c(Cl)s1 69476367 GJTHZLGIEUAJIM-UHFFFAOYSA-N 218.661 2.391 0 40 BEAB C[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 72275958 VAEJVFIAPXRBMH-GFCCVEGCSA-N 246.358 2.313 0 40 BEAB NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 76939794 MBNFAZWNZIQYFM-RITPCOANSA-N 213.639 2.068 0 40 BEAB COC(=O)c1nc2cc(C)ccn2c1NC(C)C 79485061 HEQPVMHOYVPIEM-UHFFFAOYSA-N 247.298 2.250 0 40 BEAB Nc1noc(-c2ccc(Br)cc2)n1 82328031 ISSOEAGLKNLLTD-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB CCCNC(=O)C[C@H]1OCCc2ccsc21 84756436 JMKFDONXNAUMRC-SNVBAGLBSA-N 239.340 2.278 0 40 BEAB O=C(O)C[C@H]1COc2cc(Cl)ccc21 84773139 UFDNMYNCYATWIB-LURJTMIESA-N 212.632 2.291 0 40 BEAB Cc1ccc(F)c(OCC(=O)N(C)C2CC2)c1 85566164 DCOTZQGOMSPOKL-UHFFFAOYSA-N 237.274 2.134 0 40 BEAB O=C(O)C1(c2cc(C(F)(F)F)ccn2)CC1 95094309 VDBOSOKZPOFASX-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB CCc1ccccc1C(=O)CSCC(=O)O 95634285 BQVKKNAFWAYXPM-UHFFFAOYSA-N 238.308 2.250 0 40 BEAB Cc1ccc([C@H](O)CN[C@H]2CCO[C@H](C)C2)cc1 95983902 PGFTVZIMDQMPJF-VHDGCEQUSA-N 249.354 2.186 0 40 BEAB CON(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 97402927 ITNPKUYNWKBAAX-JGVFFNPUSA-N 239.237 2.375 0 40 BEAB COc1ccccc1CNC(=O)C1[C@H]2CCC[C@H]12 101457552 DLKBMNALTSMEOM-RYUDHWBXSA-N 245.322 2.358 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 102339207 NTFGQJHSPLRJOX-GHMZBOCLSA-N 218.300 2.051 0 40 BEAB CO[C@H](C(=O)O)c1ccc2occc2c1 107199159 VABYUELQWVZEKH-JTQLQIEISA-N 206.197 2.205 0 40 BEAB CCN1CCN(c2cc(C)cc(C)c2N)CC1 223777923 AMJDAHXUZKZCRE-UHFFFAOYSA-N 233.359 2.028 0 40 BEAB CCOC(=O)c1cc2ncn(C)c2cc1Cl 225727453 SKNHZWJKKZXCNN-UHFFFAOYSA-N 238.674 2.403 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@H](C(C)C)CC[C@@H]1C 226336408 QEDHJKYYYBPRDH-DLOVCJGASA-N 226.316 2.437 0 40 BEAB CCCn1cc(CNc2cc(C)n(C)n2)c(C)n1 256051660 KBISJJWTEKOAQB-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB OC[C@@]1(F)CCCN(Cc2cccs2)C1 287029074 SFTHLLXMWAKYNH-LLVKDONJSA-N 229.320 2.045 0 40 BEAB Cc1cc2c(c(=O)n1C)[C@H](CC(C)C)CC(=O)O2 524730241 AVLMRYOKSPUBSC-SNVBAGLBSA-N 249.310 2.133 0 40 BEAB biogenic CC(=O)[C@@]1(O)C[C@@H]2CCC3=C(CCC(=O)C3)[C@@H]2C1 4991458 NKGSERXUBLTSHZ-NILFDRSVSA-N 248.322 2.176 0 40 BEAB CCN(CC)C(=O)c1ccc(OC)c(C)c1 9140078 RWEZWDJYPWEEOC-UHFFFAOYSA-N 221.300 2.486 0 40 BEAB CCCOc1cc(OC)ccc1C(=O)O 11952024 ISQXIGUSUAIWIV-UHFFFAOYSA-N 210.229 2.182 0 40 BEAB in-vitro C[C@H]1C[C@@H](C)CN(Cc2ccc(C(N)=O)cc2)C1 12977810 JXXVXAFESMOPDX-TXEJJXNPSA-N 246.354 2.263 0 40 BEAB Nc1nnc(-c2cc(F)ccc2F)s1 15415933 PASZNIXHBATJNX-UHFFFAOYSA-N 213.212 2.066 0 40 BEAB COc1ccc(N)cc1C(=O)OC1CCCC1 20155985 LMVUKGSUZCHTBR-UHFFFAOYSA-N 235.283 2.377 0 40 BEAB COc1cccc(CNc2cc(C)n(C)n2)c1 20350328 FAHGITYMOZZUFK-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB O=C(O)c1ccc(-c2ccnc(C(=O)O)c2)cc1 26439009 WAYLQVWVRREMCZ-UHFFFAOYSA-N 243.218 2.145 0 40 BEAB Cc1c(Br)cnc2ocnc12 26460289 YXFZMDPHFPADRA-UHFFFAOYSA-N 213.034 2.294 0 40 BEAB Cc1cc(=O)c(C(=O)O)c(C)n1-c1ccccc1 31623516 FYKRDUGPOCSBHL-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)Cc1ccccc1F 35134542 RZLBPWDZINESDU-UHFFFAOYSA-N 247.273 2.347 0 40 BEAB COC(=O)c1nc2cc(C)c(C)cc2nc1C 36373475 RYZLGQSOSIUGOY-UHFFFAOYSA-N 230.267 2.342 0 40 BEAB Cc1cc(C)c2c(c1)c(=O)cc(C)n2C 40164080 IXPLLWZDKIEVRS-UHFFFAOYSA-N 201.269 2.464 0 40 BEAB O=C(CC[C@@H]1CCCO1)NCC1CCCC1 40509775 GVIZWMABSBJHFW-LBPRGKRZSA-N 225.332 2.252 0 40 BEAB CC(C)(C)CNC[C@@H](O)c1ccccc1 42356637 LKMYWXYQLBMNTP-GFCCVEGCSA-N 207.317 2.356 0 40 BEAB in-vitro O=C(O)Cc1cccc(OCc2cccnc2)c1 42417269 FJKRHKFGHZFNJT-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB in-vitro CS[C@@H](C)C(=O)N(C)Cc1ccsc1 42850149 KTUJZLHCMCTIJM-QMMMGPOBSA-N 229.370 2.458 0 40 BEAB CC(C)CCNC(=O)Nc1ccncc1 42905458 RLVSTLWXZNCWHX-UHFFFAOYSA-N 207.277 2.249 0 40 BEAB CCN(C(=O)CCn1cccn1)c1ccccc1 48977949 MKWYOAPLZWTDCO-UHFFFAOYSA-N 243.310 2.326 0 40 BEAB CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 49708377 STCVCYHAQNLPFA-JSGCOSHPSA-N 218.344 2.259 0 40 BEAB in-vitro COc1cc2nc(C)c(C)c(N)c2cc1OC 50870090 GZBZWHZAPXTCLV-UHFFFAOYSA-N 232.283 2.451 0 40 BEAB Cc1cnn(CCNCc2cccs2)c1 53534448 DELBUTOBGBRKDM-UHFFFAOYSA-N 221.329 2.043 0 40 BEAB CCn1cc(NC(=O)c2ccc(OC)cc2)cn1 58328130 MLVXZQKOXHFTHT-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB COCCN1CC[C@@H](c2ccccc2)C1 69874790 KRDQWOHOOYIHKV-CYBMUJFWSA-N 205.301 2.122 0 40 BEAB O=C(C1CCCC1)N1CCC[C@H]1Cn1cccn1 69949855 SRBLCSCYSVMUGQ-ZDUSSCGKSA-N 247.342 2.064 0 40 BEAB O=C(O)c1ccc(OC(F)(F)F)nc1Cl 91364262 PKESEAIWVBVHEB-UHFFFAOYSA-N 241.552 2.332 0 40 BEAB OCc1c(C(F)(F)F)ccnc1Cl 95828980 FNEOFCQITLTNEO-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB O=C1NN[C@@H](c2cccs2)c2ccccc21 96305841 FANBHDBKVQZRMR-LLVKDONJSA-N 230.292 2.086 0 40 BEAB Cc1nccn1CCCC(=O)N[C@H]1CC=CCC1 96412782 BZJWYYOPZRADOH-ZDUSSCGKSA-N 247.342 2.197 0 40 BEAB Cc1ccc2c(n1)OCCN2Cc1nccs1 97109948 PZEAKKFBKGMYCS-UHFFFAOYSA-N 247.323 2.246 0 40 BEAB OC[C@@H]1CCCC[C@H]1NC1CCSCC1 98012726 VGQKLIAGKJEWBB-CMPLNLGQSA-N 229.389 2.023 0 40 BEAB c1c2c(nn1C1CCCC1)C[C@H]1CC[C@H]2N1 110751097 MNUNPCMEPFJAOI-BXKDBHETSA-N 217.316 2.347 0 40 BEAB CCn1ncc(NCc2cccn2C)c1C 256052688 OHNIYDBQPYIZDS-UHFFFAOYSA-N 218.304 2.162 0 40 BEAB Cc1cc(CN2CC[C@H](c3[nH]ncc3C)C2)no1 257295212 QXLFHBWDOBYAGN-NSHDSACASA-N 246.314 2.004 0 40 BEAB Cc1ccsc1C(=O)N1C[C@H]2C[C@H]1CS2 575605204 BMXKQGNNYCKAIU-DTWKUNHWSA-N 239.365 2.386 0 40 BEAB Cn1cc2cc(F)cc(Br)c2n1 575631056 NMNUJFXKKZDEEJ-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB O=C(O)c1cc(-c2ccc(Cl)cn2)on1 695208581 RHQLSWQYAJIOHE-UHFFFAOYSA-N 224.603 2.088 0 40 BEAB O=C1NCCC1(c1ccccc1)c1ccccc1 1675354 JZDPAIGURSZOHS-UHFFFAOYSA-N 237.302 2.493 0 40 BEAB CCCC(=O)N(C)c1ccccc1C(=O)OC 1695490 DPVHDZLQFZURFA-UHFFFAOYSA-N 235.283 2.236 0 40 BEAB Cc1cnn([C@H](C)c2n[nH]c(=S)n2C2CC2)c1 2787826 HWOUXDIAEXABCW-MRVPVSSYSA-N 249.343 2.390 0 40 BEAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 3112114 DUYTUNJNNLBNMT-LBPRGKRZSA-N 249.310 2.004 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1 3382576 SATTYGCLXDRHGG-LLVKDONJSA-N 205.257 2.113 0 40 BEAB Cc1ccc(N[C@@H]2SC(=O)N(C)C2=O)cc1 4450719 PRZVOLCSRRTEFV-SECBINFHSA-N 236.296 2.058 0 40 BEAB C[C@@H](Sc1ccc2ccccc2n1)C(N)=O 5627159 WSNBKADWQCUAES-MRVPVSSYSA-N 232.308 2.201 0 40 BEAB CCOC(=O)[C@@H](CC(C)C)n1cccc1C=O 6658382 UOGWHQSYXABNSF-GFCCVEGCSA-N 237.299 2.451 0 40 BEAB Cc1c(N)cccc1NC(=O)CN1CCCCC1 8703594 WNVOCGLMZITOFR-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11151304 FIXFZWNJNJNKOA-UHFFFAOYSA-N 248.257 2.159 0 40 BEAB O=C(O)/C=C\C=C\c1ccc2c(c1)OCO2 13099346 RHBGITBPARBDPH-TZFCGSKZSA-N 218.208 2.069 0 40 BEAB in-vitro Cc1cccc(NC(=O)[C@H]2CCCCN2)c1 19412120 OVQKJBGABZEIRR-GFCCVEGCSA-N 218.300 2.076 0 40 BEAB CC[C@H](C)NC(=O)Cc1cccc(F)c1 19934860 LCLJLVUPBYOURW-VIFPVBQESA-N 209.264 2.283 0 40 BEAB C[C@H](N[C@@H]1CN2CCC1CC2)c1ccccc1 19946499 YUJLYFFNXJRLDW-SWLSCSKDSA-N 230.355 2.431 0 40 BEAB O=C1NC2(CCCCC2)N=C1c1cccs1 21147496 INLNKWKKHLPLOS-UHFFFAOYSA-N 234.324 2.327 0 40 BEAB Cc1c(N)cccc1NC(=O)c1ccncc1 22147661 VJXSSENPFPBRPN-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCOc1ccccc1NC(=O)C1CCOCC1 24636128 NMULJOJERSHZEU-UHFFFAOYSA-N 249.310 2.450 0 40 BEAB CCn1cc(CCC(=O)NC2CCCC2)c(C)n1 28575460 MGBTZZLNYPSSAM-UHFFFAOYSA-N 249.358 2.203 0 40 BEAB O=C(Nc1nnc2ccccn12)c1ccsc1 30692476 FVCZVBFGAJZDHU-UHFFFAOYSA-N 244.279 2.043 0 40 BEAB O=C(CC1(C(=O)O)CCCC1)Nc1cccnc1 31818924 PITWTFQKZMEVBO-UHFFFAOYSA-N 248.282 2.055 0 40 BEAB Nc1noc2cccc(C(F)(F)F)c12 34450963 VVTGSZRVMRVIEH-UHFFFAOYSA-N 202.135 2.429 0 40 BEAB COc1cc(C)c(Cl)c(OC)c1C=O 34638882 PPTKUHKRSYHRPQ-UHFFFAOYSA-N 214.648 2.478 0 40 BEAB NC(=O)c1ccc(Nc2ccccc2)c(N)c1 35330870 RTDAQYVWEZGAFW-UHFFFAOYSA-N 227.267 2.111 0 40 BEAB C[C@@H](C(=O)O)c1ccc2c(c1)OCCCO2 36160968 FTXKYBBUQHWDKU-MRVPVSSYSA-N 222.240 2.036 0 40 BEAB CCOCCNCc1cc(F)ccc1F 36228493 CJJUYAVKBWIRJL-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB COC(=O)CCCNCc1cccc(Cl)c1 37395170 ADEUAUCBJAGPIF-UHFFFAOYSA-N 241.718 2.383 0 40 BEAB CNC1(CO)CCC(c2ccccc2)CC1 38120972 WNNUKLIJLQARLJ-UHFFFAOYSA-N 219.328 2.295 0 40 BEAB in-vitro CC[C@H](C)[C@H](Nc1nc(C)cc(C)n1)C(=O)O 38548936 GZWOAOZIERMSMZ-XVKPBYJWSA-N 237.303 2.005 0 40 BEAB O=c1[nH]c(-c2cccnc2)nc2ccc(F)cc12 38590733 NHTFMSYUFPAHBT-UHFFFAOYSA-N 241.225 2.124 0 40 BEAB COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1N 39374913 HLIZYJUVYJDBSG-SUNKGSAMSA-N 217.312 2.147 0 40 BEAB O=C(O)c1cc(C2CC2)n2nc(C3CC3)cc2n1 41288288 PUIAHZOOCCYGKT-UHFFFAOYSA-N 243.266 2.182 0 40 BEAB NC(=S)Nc1ccc(Cl)cc1F 42238230 KDVKVMLGEXQVIC-UHFFFAOYSA-N 204.657 2.135 0 40 BEAB in-vitro c1ccc2oc(N[C@@H]3CCN(C4CC4)C3)nc2c1 44411827 GOEGHMKQUMFJAG-SNVBAGLBSA-N 243.310 2.476 0 40 BEAB c1ccc(CN2CCC[C@H]2CNC2CC2)cc1 53649317 CDWNMFBKHYTWNM-HNNXBMFYSA-N 230.355 2.403 0 40 BEAB CNC[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1 54588496 VCUMKLYDJBVZEY-GHMZBOCLSA-N 221.300 2.027 0 40 BEAB O=C1COc2ccccc2CN1Cc1ccco1 65184347 GGVASNFNSZOOSH-UHFFFAOYSA-N 243.262 2.201 0 40 BEAB Cc1cnn(C[C@H](C)NCCC(C)C)c1 71874902 BETWJWNORSATAI-LBPRGKRZSA-N 209.337 2.216 0 40 BEAB CCc1nc(CCNC(=O)C2CCC2)cs1 71924427 QBTCNWCAUYTNKX-UHFFFAOYSA-N 238.356 2.164 0 40 BEAB Cc1cccnc1[C@H]1CCCCN1C=O 72211164 AUFKVMFTOFAZLO-LLVKDONJSA-N 204.273 2.073 0 40 BEAB Cc1cncnc1[C@H]1CCCN(CC2CC2)C1 72361348 CLSYORIRJMMJNO-ZDUSSCGKSA-N 231.343 2.374 0 40 BEAB NCc1ccc([C@H](O)c2cccs2)s1 75468612 JMPVNIPMSRUIQG-SNVBAGLBSA-N 225.338 2.350 0 40 BEAB CCCCc1nc(Cn2nc(C)cc2C)no1 77239805 KPBZEUUFLJWUAO-UHFFFAOYSA-N 234.303 2.274 0 40 BEAB C[C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 82319262 HUFAIJPLJDLZBQ-UWVGGRQHSA-N 213.346 2.141 0 40 BEAB O=C(CC1CCOCC1)Nc1ccccc1 82320553 QJXUREGQTDQSGL-UHFFFAOYSA-N 219.284 2.442 0 40 BEAB C[C@H]1CCC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 91304383 KHAUJGIQMJDINW-DTWKUNHWSA-N 243.303 2.249 0 40 BEAB Nc1cc(Br)cc(C(F)(F)F)n1 95761639 HAHXGHOCCWZKAV-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](F)C1 95933010 BBJACCZSJXCXSE-JGVFFNPUSA-N 203.257 2.402 0 40 BEAB in-vitro Cc1ccc(CN2C(=O)[C@H]3CCC[C@@H]3C2=O)cc1 95945463 UDLOEPVMFDYUQX-STQMWFEESA-N 243.306 2.280 0 40 BEAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)C(C)C 95956568 HQYRWSSQIAMWTK-DTWKUNHWSA-N 237.347 2.291 0 40 BEAB CCCCSCCC(=O)N[C@@H]1CCCOC1 96416457 HHTMORZKPHDORB-LLVKDONJSA-N 245.388 2.205 0 40 BEAB O=C(c1ccccc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]1C2 100521015 JNCDGTXHWIJATK-FPMFFAJLSA-N 245.322 2.062 0 40 BEAB COc1cccc(NC(=O)c2cnc(C)nc2)c1 222589379 DMZLZGMEKZTSAV-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1ccnc(C)c1[C@H](C)O[C@H]1CCNC1 242495972 GWAWNDBDTSHGCH-RYUDHWBXSA-N 220.316 2.138 0 40 BEAB COC(=O)c1cc2ccc(C)cc2nc1OC 252487976 IGCZOIRJSXRXPZ-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB CCCn1ccc(CNCc2cccc(O)c2)n1 256052012 LNQLDQGOPWDARG-UHFFFAOYSA-N 245.326 2.289 0 40 BEAB CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)O 266601036 QZZMQWZZFMQJRD-CYBMUJFWSA-N 235.327 2.333 0 40 BEAB CCCOCc1ccn(CC(F)(F)F)n1 408715319 IKBULXKMQAJRLM-UHFFFAOYSA-N 222.210 2.372 0 40 BEAB CN1CCC[C@H]1COc1nc2ccccc2o1 585655149 UYAGGPVRELXMCY-JTQLQIEISA-N 232.283 2.301 0 40 BEAB COc1c(Cl)nc2ccnn2c1Cl 721341062 VDEJMDJNLDZVOO-UHFFFAOYSA-N 218.043 2.045 0 40 BEAB CC(=O)c1ccc(P(C)(C)=O)s1 1857786188 ACAQUFJMSUKZTN-UHFFFAOYSA-N 202.215 2.199 0 40 BEAB Fc1ccc(N2CC(C(F)(F)F)C2)nc1 2298041260 ZIHWAAHMNDZKKO-UHFFFAOYSA-N 220.169 2.219 0 40 BEAB Cc1cc2ncn(CCC(=O)O)c2cc1C 418161 FJZAJAWTANAPQO-UHFFFAOYSA-N 218.256 2.128 0 40 BEAB in-vitro CN(C)CCc1c[nH]c2ccc(F)cc12 2599104 BXYDWQABVPBLBU-UHFFFAOYSA-N 206.264 2.411 0 40 BEAB Cc1cnc(C(=O)Nc2ccc(F)cc2)cn1 3331900 FIIZROIASXUOFQ-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB Cc1nc2ccccn2c1-c1csc(N)n1 4135701 KJTFHBRMYZHFTR-UHFFFAOYSA-N 230.296 2.348 0 40 BEAB COC(=O)[C@@]1(C(F)(F)F)CC(C)=C(C)CO1 4698302 JXWPSSTYUHCORO-SECBINFHSA-N 238.205 2.217 0 40 BEAB O=[P@@]1(Nc2ccccn2)COc2ccccc21 4709174 OIBTWZDHYIKOCR-KRWDZBQOSA-N 246.206 2.447 0 40 BEAB CCOc1ccc(C=O)cc1Cn1ccnc1 4992625 UDWZPBWWVYGNHS-UHFFFAOYSA-N 230.267 2.143 0 40 BEAB CC(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 5371976 ADGNEELCSHICFB-UHFFFAOYSA-N 231.255 2.312 0 40 BEAB COCCNc1nc(SC)nc2ccccc12 5526507 GHBDUJQDQNMUHJ-UHFFFAOYSA-N 249.339 2.410 0 40 BEAB C[C@@](C(=O)O)(c1ccccc1)C1(O)CCCC1 6482092 CBGJVRRVEACAJP-ZDUSSCGKSA-N 234.295 2.334 0 40 BEAB C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 11230127 NSBRPVRPAFZSHA-JTQLQIEISA-N 245.278 2.294 0 40 BEAB Cc1ccc(Nc2nc(N)nc(O)c2N=O)cc1 13154299 WYINDNYBKUAHRK-UHFFFAOYSA-N 245.242 2.214 0 40 BEAB C=c1/c(=C\C(C)C)c(C)nn1-c1ccccc1 16249001 ZCMCIXSVINRULB-GDNBJRDFSA-N 226.323 2.028 0 40 BEAB O=C(O)C[C@H](C/C=C\c1ccccc1)C(=O)O 17162033 USYIGOSTVXJXHA-IBHLPDHGSA-N 234.251 2.265 0 40 BEAB NNCc1cccc(OCc2ccccc2)c1 19171994 ATASXDMOXSIVPT-UHFFFAOYSA-N 228.295 2.229 0 40 BEAB in-vitro O=C(O)c1ccoc1CSC(F)F 20281595 WGCGYFVAXAWGDY-UHFFFAOYSA-N 208.185 2.434 0 40 BEAB in-vitro O=C(O)[C@H]1CCN(c2cccc(Cl)c2)C1 20357889 AZFUTXZLXVXJSZ-QMMMGPOBSA-N 225.675 2.251 0 40 BEAB in-vitro COc1ccc(-c2cnc(C(=O)O)o2)cc1 20444543 ZXYKFIVEXNHKPO-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB O=C(CCn1cccn1)NC1CCCCCC1 20602898 WWMMJHCPWAQUQW-UHFFFAOYSA-N 235.331 2.112 0 40 BEAB Cn1nc(-c2cccc(Cl)c2)cc1N 26511915 CVGWCFFITRZPLU-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB in-vitro COc1ncccc1CNC(=O)[C@H]1CC=CCC1 31319152 IZUXIVPXDDHUQM-NSHDSACASA-N 246.310 2.063 0 40 BEAB CCSc1nnc2n(C)c3ccccc3n12 33373664 RICGQVGPQWOBLH-UHFFFAOYSA-N 232.312 2.333 0 40 BEAB C[C@H](O)Cn1c(=S)[nH]c2ccccc21 33845624 DMDXJRMUNCFICA-ZETCQYMHSA-N 208.286 2.080 0 40 BEAB O=C(c1cccc2[nH]ccc12)N1CCSCC1 36163412 VMXJUXQWRDPNBW-UHFFFAOYSA-N 246.335 2.357 0 40 BEAB CCNCc1cccc(NC(=O)[C@H]2C[C@H]2C)c1 36281153 NWEZDVJLJHUQHN-MFKMUULPSA-N 232.327 2.391 0 40 BEAB CCN[C@@](C)(C(=O)O)c1cccc(Cl)c1 37181510 DHONCHIWBFHJIG-LLVKDONJSA-N 227.691 2.249 0 40 BEAB CCOC(=O)COc1ccccc1CC 37406242 GVTZEFUSFMIKKH-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB Cc1cc(=O)c(OCc2ccccc2)c(CO)o1 38294336 RMQFOKDLHDGASP-UHFFFAOYSA-N 246.262 2.020 0 40 BEAB Cc1ccc(C(=O)O)c2c1OC(F)(F)O2 38417237 DIWZARZJLGTNFI-UHFFFAOYSA-N 216.139 2.015 0 40 BEAB O=C(O)c1cc(Cc2ccccc2)c[nH]1 39333516 SKCSDKFUORAQCT-UHFFFAOYSA-N 201.225 2.304 0 40 BEAB CN1CCC([C@@H]2NCCc3ccccc32)CC1 40165582 WEDLGMLSWRZSQM-HNNXBMFYSA-N 230.355 2.215 0 40 BEAB CC[C@H](CNC(=O)C1CCCC1)N1CCCC1 40522418 CQJIENNICHHXFO-CYBMUJFWSA-N 238.375 2.167 0 40 BEAB CCc1cccc(NC(=O)N(CCO)C2CC2)c1 40526322 JTZXXYKRXTYTOL-UHFFFAOYSA-N 248.326 2.238 0 40 BEAB OC[C@@H](c1ccc(F)cc1)N1CCCCC1 41242362 SJIFHOMGFFVFOI-ZDUSSCGKSA-N 223.291 2.345 0 40 BEAB COc1ccccc1CN(C)C(=O)C(C)C 45477407 LFGFIKSIHVVFNK-UHFFFAOYSA-N 221.300 2.310 0 40 BEAB COc1ncccc1NC(=O)NCCC(C)C 48285902 LTNUCINIOCLOPW-UHFFFAOYSA-N 237.303 2.258 0 40 BEAB O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2O1 57529543 ZFKUVDSQMJMFOW-AWEZNQCLSA-N 245.322 2.439 0 40 BEAB Cc1cc(NO)nc(-c2ccccc2)n1 58158987 YJRGQTPCSZVXDZ-UHFFFAOYSA-N 201.229 2.253 0 40 BEAB COc1cc([C@@H]2CCCNC2)ccc1F 59440432 VMRATJGZMVJDFO-SNVBAGLBSA-N 209.264 2.301 0 40 BEAB COC(=O)CN1CCCCC[C@H]1c1ccco1 71915037 BZBWBOSVLYJHHU-NSHDSACASA-N 237.299 2.370 0 40 BEAB CCc1ccc2cc(C(=O)O)n(C)c2c1 71976864 UEGFWTYTDOFNEZ-UHFFFAOYSA-N 203.241 2.439 0 40 BEAB O=CN1CCC[C@H]1c1ccc[nH]c1=S 72217048 JUWKQTQGDKELCS-VIFPVBQESA-N 208.286 2.037 0 40 BEAB COc1cc(C)c([C@@H](N)c2ccccc2)cn1 72222988 XMPBQHFJIOGBLF-AWEZNQCLSA-N 228.295 2.447 0 40 BEAB CC(C)C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2C 72373730 UUWYWQKVZJPPOT-NSHDSACASA-N 249.358 2.206 0 40 BEAB Cc1ccc([C@@H](C(=O)O)C2CCNCC2)cc1 82343111 ZWRRFURYYQEANN-CYBMUJFWSA-N 233.311 2.163 0 40 BEAB CC(C)[C@H]1CN(C(=O)C2CCC2)CCS1 89802099 ZUIFXYDMRLNGOH-LLVKDONJSA-N 227.373 2.387 0 40 BEAB COCCn1c(=N)sc2cc(C)ccc21 100969229 IWKPDYFXGZYGMD-UHFFFAOYSA-N 222.313 2.137 0 40 BEAB C[C@H](c1cccnc1)N(C)Cc1csnn1 183718371 ZKYZKNMGCJFXNF-SECBINFHSA-N 234.328 2.126 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)c2ccon2)CC1 188924380 CCIJOPQVZMTSRE-ZJUUUORDSA-N 222.288 2.373 0 40 BEAB O=C(Nc1cnns1)C1CCCCCC1 225578242 PYLURLRTSUIKFM-UHFFFAOYSA-N 225.317 2.447 0 40 BEAB Nc1cccc2ccc(N3CCCC3)nc12 259051904 BLFCULBXDSVOLB-UHFFFAOYSA-N 213.284 2.417 0 40 BEAB O=C(OCC(Cl)(Cl)Cl)C(F)F 307735416 XSRZCJRYUCILOH-UHFFFAOYSA-N 227.421 2.165 0 40 BEAB C[C@]1(C(=O)Nc2ccccc2O)CC1(F)F 335641917 XKVFNADVWWAYFK-SNVBAGLBSA-N 227.210 2.376 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC12CC(=O)C2 606301637 SICOGNDJJMZZND-SECBINFHSA-N 225.288 2.023 0 40 BEAB Cc1ccccc1-c1nnsc1C(=O)N(C)C 929811961 HACMEODYFFQNNX-UHFFFAOYSA-N 247.323 2.215 0 40 BEAB NC[C@H](O)c1ccc(-c2ccsc2)s1 1775974458 GXEUZPMTFKQTCA-QMMMGPOBSA-N 225.338 2.469 0 40 BEAB O=C(C1CCC1)N1[C@H]2CC[C@H]1CC(F)C2 1775995135 DHTPYSUUQXGXNB-QWRGUYRKSA-N 211.280 2.278 0 40 BEAB Cc1ncn(-c2ccccc2OC(F)(F)F)n1 2362801613 LKIQEVHHFZEYGU-UHFFFAOYSA-N 243.188 2.474 0 40 BEAB c1ccc(-c2cc(-c3ncon3)no2)cc1 1245981 ILWPOMUBLRCWPB-UHFFFAOYSA-N 213.196 2.392 0 40 BEAB COc1cc2[nH]cc(CN(C)C)c2cc1OC 1747911 JTWOJYIJQZMOKH-UHFFFAOYSA-N 234.299 2.247 0 40 BEAB C[C@@H](COCc1ccccc1)CC(=O)O 2572570 UGBWZCMPGYFVDL-SNVBAGLBSA-N 208.257 2.314 0 40 BEAB CC[C@H](C)NC(=O)c1cccc(OC)c1 3047771 ABUCJMJPUMOCFG-VIFPVBQESA-N 207.273 2.224 0 40 BEAB CCOc1ccc(Cc2nnc(N)s2)cc1 3716271 ZCDOAKOXYVMZFM-UHFFFAOYSA-N 235.312 2.110 0 40 BEAB Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2 4291310 GVCUYVSDJYMDMA-VDTYLAMSSA-N 201.220 2.202 0 40 BEAB NCc1ccc(Cn2cc(Cl)cn2)cc1 4344228 XUAZPTUZVDPOEK-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB in-vitro CCCC(=O)Nc1c(C(N)=O)oc2ccccc12 4851858 VFGDXVWCCRKIFP-UHFFFAOYSA-N 246.266 2.270 0 40 BEAB CN1c2ccccc2[C@@]2(C)CC(=O)O[C@]12C 5173731 RPVZXOABUDPAMG-OLZOCXBDSA-N 217.268 2.057 0 40 BEAB COC[C@H](C)NC(=O)Nc1c[nH]c2ccccc12 5299852 GDINEBSEGYTQTL-VIFPVBQESA-N 247.298 2.324 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 6647840 AUVAPUVVWIDTTM-SFYZADRCSA-N 215.256 2.157 0 40 BEAB COc1ccc2nc(OC)c(C=O)cc2c1 6677798 QEVPUKVDQCVMGD-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB in-vitro O=C(Cn1ccnc1)Nc1ccccc1Cl 10809228 XCTHLRYFATUTPG-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Fc1ccc(Nc2ncnc3[nH]ncc23)cc1 11856413 YJQDOPOJXOSRQG-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB C[C@@H]1CCCN(Cc2ccc(C(=O)O)o2)C1 11954073 KGXNIYZKBVFNRF-SECBINFHSA-N 223.272 2.210 0 40 BEAB CC[C@H](Oc1ccccc1)C(=O)n1cccn1 13324044 IOKOYARAVJOJPZ-LBPRGKRZSA-N 230.267 2.381 0 40 BEAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)O 19410998 DTOPCFJHOIYCNF-SNVBAGLBSA-N 230.210 2.453 0 40 BEAB in-vitro O=C(O)Cc1nc(-c2ccccc2Cl)no1 20269095 JQRXNEPMBASNHB-UHFFFAOYSA-N 238.630 2.017 0 40 BEAB COc1cccc(CNc2ccn(C)n2)c1 20350238 JIDBGSDMEXOWIJ-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB O=C(Oc1ccc(O)cc1)c1ccc(O)cc1 33949338 OQBPCYUKFSJTDU-UHFFFAOYSA-N 230.219 2.317 0 40 BEAB in-vitro COC(=O)[C@H](Cc1ccccc1)n1cccc1 34613766 WAQVHMLKQJQLKS-ZDUSSCGKSA-N 229.279 2.445 0 40 BEAB CCN[C@H]1CCCN(Cc2ccccc2)C1 34963063 GPRPWGYOLRHPLE-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB COc1ccc(C)cc1CNC[C@@H]1CCCO1 35161739 IZIWMECMESLAIK-ZDUSSCGKSA-N 235.327 2.272 0 40 BEAB CCc1ccc(C(=O)Nc2cn[nH]c2)cc1 35237602 CRSCAHHLJZPVPX-UHFFFAOYSA-N 215.256 2.224 0 40 BEAB CCN(Cc1ccccc1C)C(=O)[C@@H](N)C(C)C 36199750 PZZRURLLBRXBGR-AWEZNQCLSA-N 248.370 2.327 0 40 BEAB Cc1ccoc1-c1nnc2ccc(Cl)nn12 36903776 OACABCVUGSJTGW-UHFFFAOYSA-N 234.646 2.346 0 40 BEAB COC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C 41424142 KVWROTRFKNMNCH-PWSUYJOCSA-N 235.283 2.215 0 40 BEAB CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1 43501787 HDDANDASTDTXOU-UHFFFAOYSA-N 246.184 2.240 0 40 BEAB Cc1[nH]ncc1-c1nn2c(C(C)C)nnc2s1 44900709 LFJAZONCAXHNMY-UHFFFAOYSA-N 248.315 2.008 0 40 BEAB COc1ccc(Cl)cc1C[C@H](C)O 53784413 BUCLPMSSVLIMGC-ZETCQYMHSA-N 200.665 2.272 0 40 BEAB CCN(CC)C(=O)/C=C/c1csc(C)n1 58290894 PPSQXPABLSXXDS-VOTSOKGWSA-N 224.329 2.333 0 40 BEAB CCOc1cccc2c1cc(C(=O)O)n2C 59730793 CNVKKOFMVJAGPI-UHFFFAOYSA-N 219.240 2.275 0 40 BEAB C[C@H]1CN(C[C@@H]2CCCCO2)CC(C)(C)O1 65427208 HUCJBAAPTAWMBT-RYUDHWBXSA-N 227.348 2.055 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccc(N)nc1C 72218594 WHWWMCMLLSEWMA-LBPRGKRZSA-N 233.315 2.046 0 40 BEAB CCOCCC(=O)Nc1cccc(C)c1O 79014459 AJQGNQKTXOIKOC-UHFFFAOYSA-N 223.272 2.066 0 40 BEAB FC(F)Oc1cccnc1Br 83454470 JSKYTOQKHIJDNI-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB in-vitro C[C@H]1[C@@H](C)SCCN1C(=O)C1CCC1 89920009 SSPODGTZOLVENR-DTWKUNHWSA-N 213.346 2.139 0 40 BEAB C[C@](O)(c1ccc2c(c1)OCO2)C1CC1 95738998 WJYBNXLYSXQJNR-GFCCVEGCSA-N 206.241 2.033 0 40 BEAB CCCCN1C(=O)NN[C@H]1c1ccccc1 95917949 VUTFABWFXOHKGE-LLVKDONJSA-N 219.288 2.015 0 40 BEAB CC(F)(F)c1cccc(CC(=O)O)c1 96029644 OYSJTIVJUBLWCL-UHFFFAOYSA-N 200.184 2.425 0 40 BEAB Cc1cnc(Cn2ccnc2-c2ccncc2)o1 96501939 QFINGZZHFRHLPD-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB CCOc1ccccc1-c1n[nH]cc1N 96527531 BIJUBYULTJFSEU-UHFFFAOYSA-N 203.245 2.058 0 40 BEAB CC[C@H](O)Cc1ccc(OC)cc1OC 96543498 BCLPECHFDIGWEH-JTQLQIEISA-N 210.273 2.017 0 40 BEAB Cc1ccn(Cc2ccc(-n3cccn3)cc2)n1 97229731 OVPXPMCRLCYVPL-UHFFFAOYSA-N 238.294 2.426 0 40 BEAB CC(C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100749350 DURSMUSFOOJCSV-ZIAGYGMSSA-N 237.343 2.297 0 40 BEAB Clc1ccccc1CN1CC[C@H]2O[C@@H]2C1 103719314 YWJBKBIXBSXBHX-VXGBXAGGSA-N 223.703 2.313 0 40 BEAB N=C1O[C@H](/C=C/c2ccccc2)C(O)=C1O 104240552 JHBYQMDSFKBYHP-WQIHALJBSA-N 217.224 2.403 0 40 BEAB CC(C)(C)n1nc(C(F)(F)F)cc1O 106385560 HZOHCHXKIGXDGP-UHFFFAOYSA-N 208.183 2.363 0 40 BEAB O[C@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 195575399 BWPFKUINQLEOGW-IUCAKERBSA-N 244.241 2.008 0 40 BEAB c1nc(N2CCCCCC2)cnc1[C@@H]1CCCN1 205698310 NBWBXIWKZORHGO-LBPRGKRZSA-N 246.358 2.282 0 40 BEAB COC(=O)c1ccn2cc(Cl)cc2c1O 217655801 SGORKOPZZULBGD-UHFFFAOYSA-N 225.631 2.085 0 40 BEAB CCO[C@@H](Cc1ccc(C)cc1)C(=O)O 220066619 NDLVBZXESQLLFL-NSHDSACASA-N 208.257 2.027 0 40 BEAB CCc1ccc([C@@H]2NC(=O)C3CCN2CC3)cc1 223813763 GDBZHVPRZWZXHQ-CQSZACIVSA-N 244.338 2.089 0 40 BEAB COC(=O)CCCC(=O)c1ccccc1N(C)C 575358273 OCTSZFKXGSWMNU-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB CC(C)CCN1Cc2cccc(C(=O)O)c2C1=O 575415125 HNJODZJCQDRAIJ-UHFFFAOYSA-N 247.294 2.387 0 40 BEAB FC1(F)CCC(Oc2cnccn2)CC1 585654802 MKOSWWZLOZBRIJ-UHFFFAOYSA-N 214.215 2.433 0 40 BEAB CN(Cc1ccc(F)cc1F)[C@H]1CCC[C@H]1O 708559309 PBTUSIUBOUKAQY-QWHCGFSZSA-N 241.281 2.310 0 40 BEAB COC(=O)NCCc1ccc(Cl)cc1 36024 CJWUAZRMSHUVAT-UHFFFAOYSA-N 213.664 2.239 0 40 BEAB Cc1cccc(OC[C@H](O)CN2CCCCC2)c1 895920 UNJVLELDYUHSIM-CQSZACIVSA-N 249.354 2.221 0 40 BEAB Nc1ccc2nc(-c3ccncc3)[nH]c2c1 1260959 JMXFPJFOKBVPST-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB O=C1NC(=O)/C(=C/c2cccs2)S1 1309935 DOOLJLRRQAYVGK-XQRVVYSFSA-N 211.267 2.072 0 40 BEAB COc1ccc([C@@H]2CCC(=O)C[C@@H]2C(=O)O)cc1 1644697 HTPVKBOETCNMAK-STQMWFEESA-N 248.278 2.233 0 40 BEAB Nc1ncccc1-c1ccc(C(=O)O)s1 2458593 BWSVDLUHEQATHX-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1 2762551 MBFDGPSHOHTRQI-LLVKDONJSA-N 221.300 2.287 0 40 BEAB CCOC(=O)C(=O)Nc1cccc2ccccc12 3895977 XEKONFTWUGSZSC-UHFFFAOYSA-N 243.262 2.341 0 40 BEAB OCCCN[C@H](c1ccccc1)c1ccccn1 4245021 WMBJYODGBWSBMI-OAHLLOKOSA-N 242.322 2.143 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@H](SC(=N)N)C2=O 5426138 JVXRHLUWSSCLBB-FMTFEUNWSA-N 226.345 2.007 0 40 BEAB O=C(NCc1ccncc1)c1cccnc1Cl 5936406 AGUVJWDDWZKLAT-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB CCOc1ccc(N[C@H](CC)C(=O)O)cc1 8702746 RTQHZFCBYHXDRW-LLVKDONJSA-N 223.272 2.360 0 40 BEAB O=C1NCCCC[C@H]1Nc1ccc2c(c1)CCC2 12523396 LRDOLQKBSMAVMO-CQSZACIVSA-N 244.338 2.256 0 40 BEAB Brc1ccccc1-c1nnco1 13608843 CLXZPEZUBVRIIL-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB in-vitro c1ccc(OCC[C@@H]2CCCNC2)cc1 14632360 CRLFSQXWWCULSO-LBPRGKRZSA-N 205.301 2.455 0 40 BEAB in-vitro Cc1nnc(-c2ccc3oc(S)nc3c2)o1 14987538 LUADQOGXQJWBQC-UHFFFAOYSA-N 233.252 2.475 0 40 BEAB CN(CCCCCC(=O)O)c1cccc(O)c1 22054083 DMBQUFNFVJPLMV-UHFFFAOYSA-N 237.299 2.473 0 40 BEAB in-vitro c1ccc(CNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 34409277 LAYCNBGYPRUPJI-BETUJISGSA-N 229.327 2.047 0 40 BEAB Cn1cccc1C(=O)CN1CCc2ccccc21 35018649 BFYFMUVRYJTSSK-UHFFFAOYSA-N 240.306 2.271 0 40 BEAB CC(C)NC(=O)NCCc1ccc(N(C)C)cc1 38585531 ANLMSOZKQMADJA-UHFFFAOYSA-N 249.358 2.003 0 40 BEAB CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O 38998871 QVRMQQOUFDQKIH-QMMMGPOBSA-N 245.319 2.401 0 40 BEAB CC[C@@H]1CCCCN1C(=O)Nc1nncs1 43130604 SGZWMNPWFYAFAH-MRVPVSSYSA-N 240.332 2.335 0 40 BEAB Cc1nc2ccccc2n1C[C@@H]1CCCN1 43495924 JTIXTBNEEVXQSA-NSHDSACASA-N 215.300 2.097 0 40 BEAB Cc1cc(C(=O)N(C)[C@@H](C)CC(C)C)no1 45781425 IEGCLIBZLAPRIW-VIFPVBQESA-N 224.304 2.490 0 40 BEAB CCc1nnsc1C(=O)NCC1CCCC1 46617444 RRHQKEVWLXOSPX-UHFFFAOYSA-N 239.344 2.021 0 40 BEAB COCC(=O)Nc1cccc(-c2nccs2)c1 47408720 RLBMJESQBVBTAN-UHFFFAOYSA-N 248.307 2.395 0 40 BEAB CSC1=N[C@@H](C)C[C@@H](O)N1c1ccccc1 59366419 PUNFJHGYHPNAMG-GXSJLCMTSA-N 236.340 2.323 0 40 BEAB NCc1cc(C(F)(F)F)cnc1Cl 66322915 WIRMOJILHTVRHQ-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB Fc1cccc(CN2CC(n3cccn3)C2)c1F 69417250 MPBJGXLKHKIXGS-UHFFFAOYSA-N 249.264 2.218 0 40 BEAB c1cc([C@H]2CCCN(c3cnccn3)C2)ccn1 72357095 RRMNJGSDYXJVCZ-ZDUSSCGKSA-N 240.310 2.256 0 40 BEAB C[C@](CO)(NCCCCCO)C1CCCCC1 77657043 KVVMPHFPZNPUFX-CQSZACIVSA-N 243.391 2.070 0 40 BEAB COc1ccccc1C1(C(=O)O)CCC(=O)CC1 84572333 JNBFLZXEKVWNNY-UHFFFAOYSA-N 248.278 2.161 0 40 BEAB COC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C 84636740 OQPPEHNTKPKYFM-ZJUUUORDSA-N 215.337 2.210 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CN 89157307 NYPPQRSVUJQKTO-NXEZZACHSA-N 228.336 2.029 0 40 BEAB C1=C[C@H](Nc2cc(-n3ccnc3)ncn2)CCC1 95411600 CWMUCPQENVXARC-NSHDSACASA-N 241.298 2.183 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(-c2cccc(F)c2)n1 95534788 XUFLMQFHJHQEFO-JTQLQIEISA-N 234.278 2.267 0 40 BEAB Fc1cc(OCC2OCCO2)ccc1Cl 95734029 GLZRPRLENIRGJZ-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB COC(=O)CNC(C)(C)c1cccc(Cl)c1 96491942 CIANRWRSWQMJSD-UHFFFAOYSA-N 241.718 2.338 0 40 BEAB CC(C)N1CCC[C@@H]1c1n[nH]c2c1[C@@H](N)CCC2 96515797 DJVXIHARCMXVJD-CMPLNLGQSA-N 248.374 2.291 0 40 BEAB CCOC(=O)c1c(F)ccc(OCOC)c1F 97756603 BIWKZGCZMDNLHC-UHFFFAOYSA-N 246.209 2.124 0 40 BEAB O=C(O)c1cc2cccnc2nc1C(F)F 113173099 AOPBGNSJOWMSEO-UHFFFAOYSA-N 224.166 2.266 0 40 BEAB CCOC(=O)c1coc2cc(O)ccc12 114493524 RXPGUNOYNYVCGK-UHFFFAOYSA-N 206.197 2.315 0 40 BEAB NCC(F)(F)Sc1ccccc1F 131749011 MCUJBMHHVJJYEP-UHFFFAOYSA-N 207.220 2.469 0 40 BEAB N#C[C@H](Cc1ccccc1C(F)(F)F)C(=O)O 148210427 WKJWBZVHAHPTON-QMMMGPOBSA-N 243.184 2.472 0 40 BEAB CCc1[nH]nc(N[C@@H](C)CCn2cccn2)c1C 159302687 XXGRMEKQOKZHNS-JTQLQIEISA-N 247.346 2.368 0 40 BEAB CN1C(=S)S[C@@H]2Cc3ccccc3O[C@H]21 225392802 DJRNZJLDMXIVHT-NXEZZACHSA-N 237.349 2.280 0 40 BEAB Cn1nc(OCC2CC2)c2ccc(C=O)cc21 225773752 CBSLQFWULGCRIO-UHFFFAOYSA-N 230.267 2.175 0 40 BEAB COC(=O)Cc1cc(Cl)nc(Cl)c1 575444746 HWMVMHMJZLTJRA-UHFFFAOYSA-N 220.055 2.104 0 40 BEAB Fc1cccnc1OC1CCSCC1 585653477 FZZVYBFGSCNECF-UHFFFAOYSA-N 213.277 2.495 0 40 BEAB CCCC1CC(c2n[nH]cc2C(=O)O)C1 685937644 MWNNWUGJZDAWHL-UHFFFAOYSA-N 208.261 2.402 0 40 BEAB Clc1cnccc1N1CC(Cn2cccn2)C1 1775965661 IQYAHWCRULJARI-UHFFFAOYSA-N 248.717 2.068 0 40 BEAB Cc1ccnc(NC(=O)Nc2ccccc2)n1 130533 NZCZCUNRNKLQSI-UHFFFAOYSA-N 228.255 2.429 0 40 BEAB C[C@@H]([C@H](O)c1ccccc1)[n+]1ccccc1 1712267 YFPQJXQDJMCHQA-JSGCOSHPSA-N 214.288 2.269 0 40 BEAB O=C1NC(=O)[C@@H](Nc2ccccc2Cl)S1 2486869 SOKRPKNTYSPBLQ-QMMMGPOBSA-N 242.687 2.061 0 40 BEAB CCCCCCNc1ncnc2[nH]cnc12 3871210 SSVCRPKUKBLUMH-UHFFFAOYSA-N 219.292 2.345 0 40 BEAB C=CS[C@@H](COC(=O)CC)OC(=O)CC 5417004 CEGWCDABOAURAO-JTQLQIEISA-N 232.301 2.096 0 40 BEAB Cc1ccc(C)c(Nc2nc(C)cc(=O)[nH]2)c1 5625958 ZRTLWHWITUXSGL-UHFFFAOYSA-N 229.283 2.439 0 40 BEAB Cn1ccnc1SC[C@@H](O)c1ccccc1 6746117 ZFWNNCVHBLUPJL-LLVKDONJSA-N 234.324 2.246 0 40 BEAB CC[C@@H](Sc1ccc(N)cc1)C(=O)O 8702161 AQFDKDTUKOHKGL-SECBINFHSA-N 211.286 2.224 0 40 BEAB OC[C@H]1CCN(c2cccc(Cl)c2)C1 11892866 KVSFIGCLPJFPCQ-VIFPVBQESA-N 211.692 2.159 0 40 BEAB O=C(O)c1cccc(-c2ccc(C(=O)O)o2)c1 16398734 IBQCYMBXLOYXCL-UHFFFAOYSA-N 232.191 2.343 0 40 BEAB Cc1cc2nc(-c3ncccc3C)cc(O)n2n1 19237882 PFDOIAHSSJXVOR-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB N[C@H]1CCCC[C@H]1Oc1ccc(F)cc1 19273130 IOIVLHZNPOACPZ-NWDGAFQWSA-N 209.264 2.474 0 40 BEAB O[C@@]12CCCC[C@@H]1CN(Cc1ccccn1)CC2 19401586 RPRHYUWMVLXVKX-UKRRQHHQSA-N 246.354 2.209 0 40 BEAB Clc1cnc(N2CCNCC2)c2ccccc12 19721592 DYOKLVQRBCYPRI-UHFFFAOYSA-N 247.729 2.298 0 40 BEAB N[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F 19841786 NUQMLXJXZQWPFY-VIFPVBQESA-N 233.189 2.020 0 40 BEAB COCCN[C@H](C)c1ccc(F)c(F)c1 19881615 ZNJHJUNMNLDFBW-MRVPVSSYSA-N 215.243 2.262 0 40 BEAB CC[C@@H](C)n1ncc(Br)c1C(=O)O 20313840 RWRDPCXJERHWDR-RXMQYKEDSA-N 247.092 2.315 0 40 BEAB O=c1cc(O)cc(SCc2ccccc2)[nH]1 20522907 DBVVLPHPLDQLJQ-UHFFFAOYSA-N 233.292 2.373 0 40 BEAB CC(C)CCn1ncc2cc(C(=O)O)cnc21 21958620 GPSAEQTUPDWQME-UHFFFAOYSA-N 233.271 2.176 0 40 BEAB CCC(C)(C)NC(=O)c1cc(C2CC2)[nH]n1 32776833 NDJGDIZWMLZOIH-UHFFFAOYSA-N 221.304 2.206 0 40 BEAB CCCCN1CCCC[C@H]1C(=O)OCC 33609413 OAAXEKNPTNLHID-NSHDSACASA-N 213.321 2.204 0 40 BEAB C[C@@H](OCc1ccccc1)C(=O)N1CCCC1 34285371 TVZLBOSPKGJOTA-GFCCVEGCSA-N 233.311 2.214 0 40 BEAB O=C(c1ccccc1)[C@@H]1O[C@@H]1C(F)(F)F 38212810 BMKVTNQQOLRPNT-IUCAKERBSA-N 216.158 2.199 0 40 BEAB CC1(C)CCNC(=O)C(Cl)(Cl)C1 39118490 TTZKHMJRCOJTDF-UHFFFAOYSA-N 210.104 2.097 0 40 BEAB CCn1c(C)cc(=O)c2cccc(OC)c21 40164102 MJBGFFKZBDJINR-UHFFFAOYSA-N 217.268 2.338 0 40 BEAB CCc1nccn1-c1ncnc2ccccc12 41495755 HOHRLXXPTMATLI-UHFFFAOYSA-N 224.267 2.378 0 40 BEAB CCN(CC(C)C)C(=O)c1cc(C)on1 45530217 JIYQARMDAVPPHZ-UHFFFAOYSA-N 210.277 2.101 0 40 BEAB CC/C=C(\C)C(=O)N(C)Cc1ccncc1 46044161 GZKLIYMMCBCEGY-VZUCSPMQSA-N 218.300 2.396 0 40 BEAB CN(C)c1cnnc2ccc(Cl)cc12 46087296 YPNAFUYRWXOMJA-UHFFFAOYSA-N 207.664 2.349 0 40 BEAB CCC(=O)N(CCOC)Cc1cccs1 52843253 KCXRDBHIKYARNN-UHFFFAOYSA-N 227.329 2.133 0 40 BEAB CCc1nnc(CN(C)Cc2ccc(C)o2)o1 54105373 MHEYTADGWRHLGI-UHFFFAOYSA-N 235.287 2.165 0 40 BEAB NCc1nncn1-c1ccc(Cl)c(Cl)c1 56894969 OPEYNZMIBYNVSP-UHFFFAOYSA-N 243.097 2.033 0 40 BEAB CCOCCS(=O)(=O)c1ccc(C)cc1C 57875966 DOCQVRYMOSNEKJ-UHFFFAOYSA-N 242.340 2.114 0 40 BEAB C[C@H](N)c1nc(-c2cccc(Cl)c2)n[nH]1 61843952 SYZAYAJHEOFDMY-LURJTMIESA-N 222.679 2.145 0 40 BEAB C[C@]12CC[C@H](C[C@@H]1N)[C@@]2(C)CCC(=O)O 72207283 UFZBZBFBJHZVMJ-DMWPJOQESA-N 211.305 2.005 0 40 BEAB CC(C)CNc1ccc([C@H]2CCCN2C=O)cn1 72213302 NFVMETQPFHSRNE-CYBMUJFWSA-N 247.342 2.443 0 40 BEAB C[C@@H](Nc1nccn2cnnc12)c1ccccc1 72287225 MUTJYYGZJYOBJW-SNVBAGLBSA-N 239.282 2.297 0 40 BEAB O=c1ccc(-c2nc(-c3ccsc3)no2)c[nH]1 72333121 SDPLLCQREOLXST-UHFFFAOYSA-N 245.263 2.153 0 40 BEAB CNc1nccnc1[C@@H]1CCCN(CC2CC2)C1 72361355 UMNLONUFXOGMRG-GFCCVEGCSA-N 246.358 2.108 0 40 BEAB COc1ccccc1C(=O)N[C@H](C)C(C)C 72622053 AMEDTLRESGFYKJ-SNVBAGLBSA-N 221.300 2.470 0 40 BEAB CC(=O)NC(C)(C)c1nc(C)c(C)s1 76477525 IXODWJSWANTWHS-UHFFFAOYSA-N 212.318 2.131 0 40 BEAB COC(=O)c1nn(CC(C)C)c2c1CCCC2 89856681 FDLARQFKMUBJBY-UHFFFAOYSA-N 236.315 2.205 0 40 BEAB CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 95394057 ZSTLEZNHZHWPHT-LBPRGKRZSA-N 207.248 2.413 0 40 BEAB Nc1c(Cl)cc(-c2nc[nH]n2)cc1Cl 95726840 HJIBPVUTLSXJJI-UHFFFAOYSA-N 229.070 2.361 0 40 BEAB O[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1 96061565 QPATUZKXEXXOKR-LSDHHAIUSA-N 231.339 2.074 0 40 BEAB CCCCOCC(=O)Nc1ccc(C2CC2)nn1 96410996 SFQLIFDIMDQEBA-UHFFFAOYSA-N 249.314 2.109 0 40 BEAB OCc1cn(-c2cccc(C(F)(F)F)c2)cn1 143753214 OQTZIVTUYOGTEV-UHFFFAOYSA-N 242.200 2.383 0 40 BEAB OCc1ccn(Cc2cccc(Cl)c2)n1 217688395 KMYIOXHVFXLJGK-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB Cc1cc(F)cc(Br)c1CN 228954787 MABRZBBYXKRIFG-UHFFFAOYSA-N 218.069 2.355 0 40 BEAB Oc1ccc(-c2noc(C3CC3)n2)cc1F 336179935 CNRLNHSPAAMTSS-UHFFFAOYSA-N 220.203 2.459 0 40 BEAB CCc1c(C)[nH]c2ccc(O)cc2c1=O 685938805 YZLUBCIBUBSSSX-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB Cc1cc(C)cc(C(=O)NC[C@H]2CCCO2)c1 496692 MGNQSUMUPWDDEG-CYBMUJFWSA-N 233.311 2.212 0 40 BEAB CC(C)C(=O)Nc1nnc(C(C)C)s1 795817 JOPFRASOGPSPIY-UHFFFAOYSA-N 213.306 2.256 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCO1 1054237 UXYQSLYRJLGZGN-MFKMUULPSA-N 231.295 2.143 0 40 BEAB CC1(C)[C@H](CC(=O)O)CCC[C@H]1CC(=O)O 1689114 MKHBBZDYDZDXPP-IUCAKERBSA-N 228.288 2.378 0 40 BEAB in-vitro Cc1nn(C)cc1-c1nnc(-c2ccccc2)o1 2806299 LXJJKBPWRYEXQH-UHFFFAOYSA-N 240.266 2.446 0 40 BEAB CC(C)NC(=S)Nc1ccc(C(=O)O)cc1 5633256 SHZYDHHWFZDAOY-UHFFFAOYSA-N 238.312 2.080 0 40 BEAB O=C1O[C@H](CC(=O)C2CC2)c2ccccc21 5685447 XJUVIDFXJHCFCG-GFCCVEGCSA-N 216.236 2.267 0 40 BEAB biogenic NCCc1cccc(-c2cccc(CO)c2)c1 5763246 GOIHGBRGUXIQHS-UHFFFAOYSA-N 227.307 2.347 0 40 BEAB Cc1c(C)[n+]([O-])c(C2CCCCC2)n1O 6469523 DHSIJMHWNPIUOY-UHFFFAOYSA-N 210.277 2.023 0 40 BEAB COC(=O)c1[nH]c2cc(Cl)ccc2c1N 12417696 XOYUMZOVXXTCSS-UHFFFAOYSA-N 224.647 2.190 0 40 BEAB C[C@](N)(C(=O)O)c1ccc(Cl)c(Cl)c1 19474722 IBUQLJLHWNSERX-SECBINFHSA-N 234.082 2.252 0 40 BEAB Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 20193348 UWFGALDXHXLRQD-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB O=C(O)c1nn(C2CCCC2)cc1Cl 20313806 HHMJPEWGVQCVCK-UHFFFAOYSA-N 214.652 2.350 0 40 BEAB CCOc1ccccc1-c1[nH]ncc1C=O 20439626 XZRRDYRXVWVCMX-UHFFFAOYSA-N 216.240 2.288 0 40 BEAB CCCc1noc(COc2cccc(C=O)c2)n1 22120797 LOJOLDHHJCMWQW-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)NC1CCCC1 31053442 BMIXSCRWBKPPOK-JTQLQIEISA-N 236.315 2.452 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)c1ccccn1 32817678 IIAYHDLICGBBGB-JTQLQIEISA-N 230.267 2.036 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 32907082 CNPUNKIUFHUBDA-YGRLFVJLSA-N 245.322 2.247 0 40 BEAB O[C@@H]1[C@H]2CCC[C@@H]1CC[C@H]2N1CCCCC1 35498286 JFIGMNBDLSGWHQ-RQJABVFESA-N 223.360 2.412 0 40 BEAB O=C1OCc2cccc(C(F)(F)F)c21 38221015 WUECDWAKEXZVBN-UHFFFAOYSA-N 202.131 2.376 0 40 BEAB O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 39247175 HIRBHZHZPSHGQK-MDZLAQPJSA-N 234.320 2.425 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@H]1C 40489320 QFWDOPUHPPMIBJ-SNVBAGLBSA-N 249.310 2.271 0 40 BEAB COCCSCC(=O)N[C@@H]1CCC[C@H](C)C1 40508875 LKFPSBHBQCEICC-WDEREUQCSA-N 245.388 2.061 0 40 BEAB C[C@H](NCCn1cccn1)c1ccccc1F 42538750 ZOPZWCZZPNENGS-NSHDSACASA-N 233.290 2.373 0 40 BEAB c1ccc2c(c1)CCN([C@@H]1CCCNCC1)C2 43214551 ACGIBMDROFXDFQ-OAHLLOKOSA-N 230.355 2.187 0 40 BEAB in-vitro C[C@@H](NCC1CCNCC1)c1ccc(F)cc1 43220470 BKWTXKZYQRFXDV-LLVKDONJSA-N 236.334 2.476 0 40 BEAB COc1ccc(Cl)c(NC(N)=S)c1 43318147 HXUWZZBFOMIUAU-UHFFFAOYSA-N 216.693 2.004 0 40 BEAB CCOC(=O)c1cc(C)c(OC)cc1C 43503501 OSWRRFBCPANVHZ-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C)[C@@H]1[C@H]2C 43736454 XECHVXPHGHIOKX-NJMOYASZSA-N 210.317 2.232 0 40 BEAB c1ccc2nc(NC[C@@H]3CCCNC3)cnc2c1 44029901 WVCMPUROGVKMTA-LLVKDONJSA-N 242.326 2.041 0 40 BEAB Cc1ccc(C(=O)NCc2ccncc2)s1 45051182 TXZLMNZJAMWCMX-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB COCCN(Cc1ccco1)C(=O)CC(C)C 45417017 LXNORKDSAPPPLX-UHFFFAOYSA-N 239.315 2.301 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)CC[C@@H]21 51943432 FAFPNFIAMGOSNB-KOLCDFICSA-N 239.315 2.365 0 40 BEAB COc1ccc(C(=O)N[C@H](C)C(C)C)cc1 57159795 RKIBOGACQDOHDJ-SNVBAGLBSA-N 221.300 2.470 0 40 BEAB O=C(O)c1ccc2cc(F)c(F)cc2n1 62570057 CXQIJNDKZXAUEK-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB Cc1ccccc1CC1(O)CCOCC1 63076833 CXEHFUIHKGTPRR-UHFFFAOYSA-N 206.285 2.079 0 40 BEAB CSc1ccc(O[C@H](C)C(=O)O)cc1 68577313 MEWMSMRFZJJBNA-SSDOTTSWSA-N 212.270 2.260 0 40 BEAB in-vitro C[C@H](C1CC1)N(C)CC(=O)N1CCCCCC1 71836712 UUVRIJBBUAPFMH-GFCCVEGCSA-N 238.375 2.119 0 40 BEAB CC(C)(C)CCCCNC(=O)[C@H]1CCCO1 71847589 XYDWZNKDPUQNAH-LLVKDONJSA-N 227.348 2.498 0 40 BEAB Cc1ccc(CNC[C@@H]2CCCCN2)cc1 72203999 CWFBAQCDOMBJKW-AWEZNQCLSA-N 218.344 2.227 0 40 BEAB CC(C)C(=O)N1CCC[C@H](c2ccccn2)C1 72361230 MXZUARUVSWGQFS-LBPRGKRZSA-N 232.327 2.444 0 40 BEAB Cc1ncc(Cl)c(C(=O)OC[C@H]2C[C@@H]2C)n1 76090297 GBJQZVCXGQGFRY-POYBYMJQSA-N 240.690 2.251 0 40 BEAB CC(C)N(C[C@@H]1CCCN1)C(=O)OC(C)(C)C 79437633 CKOJRNZJECKZBJ-NSHDSACASA-N 242.363 2.384 0 40 BEAB CC(C)CCc1n[nH]c(C(=O)O)c1Cl 85863777 CTRWWACYUHKWBN-UHFFFAOYSA-N 216.668 2.350 0 40 BEAB CN(C(=O)Cc1cccnc1)c1cccc(F)c1 89365402 XCLVUITVSDQRPQ-UHFFFAOYSA-N 244.269 2.426 0 40 BEAB O=C(c1ccccn1)N1CCC[C@H]2CCC[C@@H]21 89878935 CUHFTDHMAGGXSP-YPMHNXCESA-N 230.311 2.486 0 40 BEAB O=c1nc2ccc(O)cc2c(-c2ccccc2)[nH]1 95532059 HTRAHUGVQQCWNJ-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB CCc1ccc(CN(C)Cc2nccn2C)o1 97377037 ULJHSDXTDCLCHX-UHFFFAOYSA-N 233.315 2.208 0 40 BEAB C[C@H]1CN(Cc2cscn2)C[C@H](C)S1 98015858 GTUHFJUZVODZDL-IUCAKERBSA-N 228.386 2.469 0 40 BEAB COC(=O)/C=C(\C)Nc1ccc(NC(C)=O)cc1 104129855 WANPDXWQIWPKQO-CMDGGOBGSA-N 248.282 2.134 0 40 BEAB in-vitro O=C(COCC(F)F)c1ccccc1 130687880 LQQDUCXJRFLMRA-UHFFFAOYSA-N 200.184 2.151 0 40 BEAB C[C@H]1CCC[C@@H](CCn2ncccc2=O)C1 195417890 RZIXIEBXGSTWQJ-RYUDHWBXSA-N 220.316 2.460 0 40 BEAB O=c1[nH]c(C2CC2)nc(Cl)c1Br 217733930 WEMUVFVOSVPBJS-UHFFFAOYSA-N 249.495 2.063 0 40 BEAB COC(=O)[C@H]1C[C@@H]1C(=O)c1ccc2c(c1)CCC2 217818502 DTDYBZPONKCLMU-STQMWFEESA-N 244.290 2.167 0 40 BEAB COc1ccc(C(=O)N2C3CCC2CC3)cc1 223977101 QVSLPAIRGBVHIM-UHFFFAOYSA-N 231.295 2.462 0 40 BEAB CC(C)NC(=O)c1ccc(NC(C)C)c(N)c1 225406281 LBUYGZQLCFOMHS-UHFFFAOYSA-N 235.331 2.227 0 40 BEAB CCOC(=O)[C@@H](CC)Sc1nc(CC)c[nH]1 225443199 IQKMWILULDQJJN-SECBINFHSA-N 242.344 2.406 0 40 BEAB C[C@H](F)[C@H]1CN(Cc2ccccc2)CCO1 261506720 AILCJMUBAAZTJT-WCQYABFASA-N 223.291 2.245 0 40 BEAB Cc1ncc(-c2ccc(N(C)C)cn2)o1 863975344 BTKZSTNBDACMHG-UHFFFAOYSA-N 203.245 2.111 0 40 BEAB COc1nc2ncccc2cc1Br 2298041634 FZGGHFHAAFBCPV-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 200903 GKNSZBXBYJYRPI-MRVPVSSYSA-N 217.272 2.150 0 40 BEAB O[C@@H](c1ccncc1)C(Cl)(Cl)Cl 494995 ILMARCBLNBUSEP-LURJTMIESA-N 226.490 2.485 0 40 BEAB COc1ccc(NC(C)=O)cc1Br 570544 FOMGGBXHSUSZFZ-UHFFFAOYSA-N 244.088 2.416 0 40 BEAB CCOC(=O)CC(=O)CCCC(C)C 2563425 GZUWNFIBFADJNF-UHFFFAOYSA-N 200.278 2.335 0 40 BEAB COc1cc(C)c2c(OC)c(C)c(=O)oc2c1 2585770 ZMEDOYHRMAKLBS-UHFFFAOYSA-N 234.251 2.427 0 40 BEAB biogenic,in-vitro CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(C(C)C)C(=O)[C@@H]21 4142619 QZDGIMJUMMQDQD-LFSVMHDDSA-N 245.322 2.148 0 40 BEAB COc1cccc(C=O)c1OCc1cccnc1 8702313 RMPVHEUGOCPKEY-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB Cc1ccccc1/N=c1\scc(C)n1CCO 9317462 GCJRTDSOHUDMPY-YPKPFQOOSA-N 248.351 2.391 0 40 BEAB CSCC(=O)NC12CC3CC(CC(C3)C1)C2 10219851 JHEBRVPZRDVMCQ-UHFFFAOYSA-N 239.384 2.434 0 40 BEAB Cc1ccc(C(=O)NCC2CC2)cc1F 12907499 VNUBFVRGWNWIQQ-UHFFFAOYSA-N 207.248 2.274 0 40 BEAB Fc1ccc(O[C@H]2CCCNC2)cc1F 14631820 NDRPULUTXCJBDC-VIFPVBQESA-N 213.227 2.096 0 40 BEAB in-vitro Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)O)cc1 19979936 XOKOKKYICGXCKD-NSHDSACASA-N 248.282 2.076 0 40 BEAB O=C(O)C(=O)c1cccc2ccccc12 21993167 ACXGUQLILSWMPT-UHFFFAOYSA-N 200.193 2.107 0 40 BEAB CC(C)n1nccc1NC(=O)c1ccccn1 22288729 NEJKPVYULZNSJF-UHFFFAOYSA-N 230.271 2.111 0 40 BEAB Cc1cnc(C(=O)Nc2ccc(Cl)cn2)cn1 26087384 NQVNQGOOXHDXMJ-UHFFFAOYSA-N 248.673 2.086 0 40 BEAB CCn1nnnc1SCc1cccc(C)c1 32806084 RMUGFNBGIPSDLT-UHFFFAOYSA-N 234.328 2.294 0 40 BEAB C[C@@H](c1ccc(F)cc1)N1CCOCC1 32814512 HOOWODVZLIFDTM-JTQLQIEISA-N 209.264 2.219 0 40 BEAB CCCC(=O)NC[C@@H](c1cccs1)N(C)C 36079470 ZOBLYMJVBQSECC-JTQLQIEISA-N 240.372 2.267 0 40 BEAB C=CC(=O)Nc1cnc2c(cnn2C(C)C)c1 36334783 UIEBLTSRDDTHMK-UHFFFAOYSA-N 230.271 2.137 0 40 BEAB Cn1c(CCCN)nc2cccc(Cl)c21 37443582 UUAOUHOPSPNLDU-UHFFFAOYSA-N 223.707 2.118 0 40 BEAB Nc1ccc(O)c(NC(=O)Cc2ccccc2)c1 38436554 WVZKYIBGZBIVLD-UHFFFAOYSA-N 242.278 2.156 0 40 BEAB Cc1nc2ccccc2nc1SCCO 40050160 FGGKNMAQYBFQTJ-UHFFFAOYSA-N 220.297 2.023 0 40 BEAB CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C 40443133 GDZPWQCQDBQIJJ-JSGCOSHPSA-N 247.338 2.318 0 40 BEAB C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc[nH]c2=O)C1 40499065 GSOWPRNKBVCIAJ-GHMZBOCLSA-N 248.326 2.026 0 40 BEAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)N1 44257034 MFQNCAJDZYYXJU-QMMMGPOBSA-N 215.174 2.266 0 40 BEAB CCN(CC)C(=O)Cc1ccc(F)cc1 46870017 DEZBEPVLNUGBKK-UHFFFAOYSA-N 209.264 2.237 0 40 BEAB Cc1ccc(C)c(-n2ncc(N)c2C)c1 48218381 QIOOXYFXEDLTSJ-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB in-vitro Cc1nc2cc(NC(=O)NC3CC3)ccc2o1 49126927 FKLVDZUORQUEBQ-UHFFFAOYSA-N 231.255 2.420 0 40 BEAB COc1ccc(C)cc1CN1CCO[C@@H](C)C1 54172228 WQTJGKLUXAVLIJ-LBPRGKRZSA-N 235.327 2.224 0 40 BEAB COC(=O)CN1CCC[C@@H]1c1cccc(OC)c1 54992646 ZZERTFOAAKLPRA-CYBMUJFWSA-N 249.310 2.005 0 40 BEAB Cc1c(Br)ccc(C(=O)O)c1N 61674969 HTSCYFVXSZXFFV-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB in-vitro CCN(CCC1CCNCC1)CC1CC1 68947596 NTCMKNDWEWHATO-UHFFFAOYSA-N 210.365 2.108 0 40 BEAB in-vitro C[C@H](NCc1ccncc1)[C@H](C)n1cccn1 69372735 CSIALOJBZURQKV-RYUDHWBXSA-N 230.315 2.017 0 40 BEAB Fc1ccc(/C=C/CN2CCCNCC2)cc1 71544289 KSFKJYBHQKKCMG-HNQUOIGGSA-N 234.318 2.134 0 40 BEAB COCCN(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 71998189 WEVCSVVJYYKSOZ-QJPTWQEYSA-N 242.363 2.099 0 40 BEAB COCCOc1cc(N)cc2occc12 72207442 BVQQWBHDANLVCN-UHFFFAOYSA-N 207.229 2.040 0 40 BEAB CN[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 72207699 LMCCXEPTKNFYKP-SNVBAGLBSA-N 242.363 2.241 0 40 BEAB O=C(NC[C@@H]1COc2ccccc21)c1ccco1 74913457 USKJRGQAWHMVGA-SNVBAGLBSA-N 243.262 2.186 0 40 BEAB COC(=O)c1ccc2sccc2c1O 75629601 RAWQGMFTJYIMMQ-UHFFFAOYSA-N 208.238 2.394 0 40 BEAB in-vitro O=C(O)c1ccccc1CC(F)(F)F 82927067 YMIWLXFZJJCFJH-UHFFFAOYSA-N 204.147 2.490 0 40 BEAB COCCOc1ccc(-c2cn[nH]c2)cc1 85391464 DLHVCUNQXRIYIL-UHFFFAOYSA-N 218.256 2.102 0 40 BEAB CC1(C)CCC[C@H]1N[C@H]1CCc2[nH]ncc2C1 90455939 UPHVXGLVJPZUKY-WCQYABFASA-N 233.359 2.435 0 40 BEAB CNC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 95396869 ZWGPEAZNLXAPGK-OLZOCXBDSA-N 248.326 2.306 0 40 BEAB C[C@H]1CC[C@H](COC(=O)c2ccoc2)O1 95446123 FBKKYUZIFOVWBS-WCBMZHEXSA-N 210.229 2.004 0 40 BEAB CCCCCNC(=O)NCC(C)(C)CCCO 95458692 AQTKCEPMLHWPFG-UHFFFAOYSA-N 244.379 2.275 0 40 BEAB COc1ccc([C@@H](C)N)c(Cl)c1OC 95660228 JDUWSYRBCOAIHQ-ZCFIWIBFSA-N 215.680 2.377 0 40 BEAB Cc1ccc2c(c1)CCC21CCN(CCO)CC1 96100171 WLSQHFZADRFWHV-UHFFFAOYSA-N 245.366 2.267 0 40 BEAB COc1c(N)cc(Br)c(F)c1F 169800896 NMQAMBRDLOAYSV-UHFFFAOYSA-N 238.031 2.318 0 40 BEAB C[C@H](CCN(C)Cc1nnc[nH]1)c1ccccc1 193980800 DOVNWRGDAYRAID-GFCCVEGCSA-N 244.342 2.430 0 40 BEAB CC(C)N1CCCC[C@H]1c1cc(CCO)on1 205700396 FWWLZOMDFQOGFL-ZDUSSCGKSA-N 238.331 2.145 0 40 BEAB NC[C@H]1C[C@@]12CCCN(Cc1ccccc1)C2 212746758 LEMUKCPOVGHJHT-HUUCEWRRSA-N 230.355 2.247 0 40 BEAB CCN(C(=O)OC(C)(C)C)[C@H]1CNCC[C@H]1C 217677661 WQWRYKRMRBWZLF-MNOVXSKESA-N 242.363 2.241 0 40 BEAB CCN(C(=O)c1cccc(C)c1C)[C@H](C)C(=O)O 659773889 VHBUBDRPGYOZSQ-LLVKDONJSA-N 249.310 2.239 0 40 BEAB CC[C@@H](C)N1CCC(NC(=O)C2CCC2)CC1 1257443749 WMEOJDSSUCCSKX-LLVKDONJSA-N 238.375 2.166 0 40 BEAB C/C=C/C=C/C(=O)Nc1nc(C(C)=O)cs1 40490382 OVEQMSFCLAHJPY-VNKDHWASSA-N 236.296 2.417 0 40 BEAB CCOC(=O)[C@@H](C)[C@@H](O)C1CCCCC1 1672473 DHUTYWZACOLLEJ-GXSJLCMTSA-N 214.305 2.127 0 40 BEAB O=C(O)c1ccccc1OCc1cscn1 4218229 MYZZEPDHQMACJH-UHFFFAOYSA-N 235.264 2.420 0 40 BEAB CCCCc1ccc(NC(=O)CCN)cc1 8732967 GCFDZECNVFZPLV-UHFFFAOYSA-N 220.316 2.317 0 40 BEAB C[C@H](CC[S@](C)=O)NCc1ccc(F)cc1 75110424 UVLBVMLALWUWDL-QLJPJBMISA-N 243.347 2.072 0 40 BEAB CCN(CC)c1ccc(C[C@@H](C)O)cc1 58002174 FEAUNXMGZIZPMT-LLVKDONJSA-N 207.317 2.456 0 40 BEAB CNC[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 21981411 MMSWXJSQCAEDLK-AWEZNQCLSA-N 249.354 2.390 0 40 BEAB world CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2C)s1 42047896 PKHAWROBGLPYHN-SFYZADRCSA-N 239.344 2.331 0 40 BEAB CN(Cc1ccccc1)C(=O)c1ccncc1 3159757 YTVHFZGQBLGBMT-UHFFFAOYSA-N 226.279 2.354 0 40 BEAB CN(C)c1nnc(-c2ccc(Cl)cc2)o1 1402524 MYGKAVHQHCUMIZ-UHFFFAOYSA-N 223.663 2.456 0 40 BEAB Cc1cccc2sc(NC(N)=S)nc12 22124864 KZLBPJUQMJQQIP-UHFFFAOYSA-N 223.326 2.260 0 40 BEAB CCCNCc1nc2ccc(C)cc2[nH]1 22122039 UVLJVOPFKHSLIE-UHFFFAOYSA-N 203.289 2.371 0 40 BEAB CCOc1ccc2c(c1)O[C@]1(C=C2)CCNC1 36141893 FUYNGLYUJAKBTP-CQSZACIVSA-N 231.295 2.223 0 40 BEAB CNCCCc1cc(-c2cccc(F)c2)n(C)n1 36379775 RSLDYCRTYJENQL-UHFFFAOYSA-N 247.317 2.378 0 40 BEAB in-vitro Cc1ccc(N)c(-c2nc(C3CC3)n[nH]2)c1 36379449 VARILXNTLVKIIN-UHFFFAOYSA-N 214.272 2.240 0 40 BEAB in-vitro COCCn1cnnc1SCc1ccccc1 39983308 DRCDFKMNUROEHU-UHFFFAOYSA-N 249.339 2.217 0 40 BEAB CC(C)Nc1c(N)c(=O)oc2ccccc12 17780957 YFPGSQGDUNVBMD-UHFFFAOYSA-N 218.256 2.196 0 40 BEAB Cc1nnnn1CCCSCc1ccccc1 90192517 NWMZRILTZIJASE-UHFFFAOYSA-N 248.355 2.305 0 40 BEAB CN1CCCN(c2nc3ccccc3s2)CC1 15583914 YQLQDNKUXMBCEI-UHFFFAOYSA-N 247.367 2.438 0 40 BEAB CNC(=O)c1oc2ccc(OC)cc2c1C 7771525 ZJFZTKBRQMBYEK-UHFFFAOYSA-N 219.240 2.109 0 40 BEAB CCO[C@H]1C[C@H](NC(=O)C2CCC2)C1(C)C 71915419 FMXVPPBHMPIQLY-QWRGUYRKSA-N 225.332 2.106 0 40 BEAB Cc1c(CNCc2cccc(F)c2)cnn1C 20349169 CKBPCBLHVRGPMS-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCc1cccc(N(C)C)c1 84686921 BHOUCIBMVXXFAC-ZWNOBZJWSA-N 232.327 2.025 0 40 BEAB CCc1n[nH]c(S[C@H](C)CCCOC)n1 89279786 CXMDOPBOJDNBKX-MRVPVSSYSA-N 229.349 2.274 0 40 BEAB NCc1ccc(NC(=O)C2CCCC2)cc1 21957999 FRZGMJSUWWWOKF-UHFFFAOYSA-N 218.300 2.274 0 40 BEAB CCCOCc1c(Br)cnn1C 408715238 AAPOIWDPQBLSBO-UHFFFAOYSA-N 233.109 2.109 0 40 BEAB NC(=O)[C@H](Cc1ccccc1)NC1CCCCC1 37969678 AYKKWNCKLXNGQW-AWEZNQCLSA-N 246.354 2.005 0 40 BEAB COc1ccc(-n2nc(C)c(C=O)c2C)cc1 32015891 LPRRTGSYYWBDDW-UHFFFAOYSA-N 230.267 2.310 0 40 BEAB Cc1ccc(N[C@@H]2CCC[C@H]2N)c(F)c1 218884617 BWUPPTTVUKAZBA-ZYHUDNBSSA-N 208.280 2.426 0 40 BEAB CCCNC(=O)/C=C/c1ccccc1OC 40890779 BWZRDTDZGDTZSL-CMDGGOBGSA-N 219.284 2.235 0 40 BEAB CO[P@@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 139731995 YLPDBQHTSLQLRX-OAHLLOKOSA-N 231.144 2.443 0 40 BEAB COc1ccc(Cl)c(CCCO)c1F 199765514 KSCVXPDSJVFXHV-UHFFFAOYSA-N 218.655 2.413 0 40 BEAB COc1ccccc1C(=O)N1C2CCC1CC2 223976702 ZBNYPSXJUCAWLV-UHFFFAOYSA-N 231.295 2.462 0 40 BEAB Cn1cc(N)c(Oc2cccc(Cl)c2)n1 95836593 MHGKMTQZNFUXJG-UHFFFAOYSA-N 223.663 2.448 0 40 BEAB COc1ccc([C@@H](C)O[C@H]2CCNC2)cc1 96529880 LZEIWEBVEJSGNL-MFKMUULPSA-N 221.300 2.135 0 40 BEAB OC[C@@]1(NCc2ccco2)CCc2ccccc21 96483073 CAMDWOBSWPTLLR-HNNXBMFYSA-N 243.306 2.203 0 40 BEAB CN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 93319259 BZOBBNCPEOXAOP-SECBINFHSA-N 246.232 2.183 0 40 BEAB O=C(Nc1ccc(Cl)cc1)c1ncccn1 70642233 ADGAMUOKBJBTKV-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CC[C@H]1C[C@H](C)CN1CCC(=O)NC(C)(C)C 75022782 ZVVZCTWQPFCRHR-RYUDHWBXSA-N 240.391 2.412 0 40 BEAB CO[C@@H]1CCN(Cc2ccnc3ccccc23)C1 669952188 XXLOQKOJJZBNSJ-CYBMUJFWSA-N 242.322 2.456 0 40 BEAB Nc1cccc(OCC(F)(F)F)c1F 147015781 YSFPPDNGAMDLOA-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB Cc1cc(C)nc(NC(=S)NC(C)C)c1 13837822 PJEZSNRCDONQIR-UHFFFAOYSA-N 223.345 2.393 0 40 BEAB CN1c2ccccc2[C@H]2C(=O)CCC[C@H]21 14983602 MOVJGLJCNVYGBE-DGCLKSJQSA-N 201.269 2.342 0 40 BEAB Cc1ccccc1NC(=O)c1cnco1 169952582 MGWDSMMFTYGHHW-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB Cc1nc(C[C@H]2CC2(Cl)Cl)no1 159591 LTIVZCZHXZVVSS-YFKPBYRVSA-N 207.060 2.114 0 40 BEAB O=C(c1ccccc1F)N1CCOC[C@H]1C1CC1 89971467 IQNVWZOUOJEFAQ-ZDUSSCGKSA-N 249.285 2.077 0 40 BEAB Cc1cc(C)n(C(=O)Cc2ccccc2)n1 583414 FNWIWGLBMRVSJR-UHFFFAOYSA-N 214.268 2.383 0 40 BEAB Cc1cc(O)n(-c2nc3ccccc3o2)n1 13611023 BMRHMEKJRQQROO-UHFFFAOYSA-N 215.212 2.028 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@H](C(=O)O)[C@H](C)CC 49601601 ZMDCPOPRSSKMMN-NPUSCGPHSA-N 239.315 2.124 0 40 BEAB biogenic,in-vitro COC(=O)c1ccc(OC(=O)C(C)C)cc1 150326 COBPCLZOYRKADN-UHFFFAOYSA-N 222.240 2.035 0 40 BEAB Cc1nn(C)c(Cl)c1[C@H](O)C(C)(C)C 159506 XRIVZVDONZHQSW-QMMMGPOBSA-N 216.712 2.461 0 40 BEAB Cc1cn2c(-c3ccncc3)nnc2s1 553724 OKFKEOPSEZGKTR-UHFFFAOYSA-N 216.269 2.161 0 40 BEAB COc1cnc2ccc(Br)cc2n1 1020827 JTEXKCGHWIBAIB-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB O=C1O[C@@H]([C@H]2CCCCC2=O)C(Cl)=C1Cl 1028784 BVTPNHNQOIOZQK-CDUCUWFYSA-N 249.093 2.360 0 40 BEAB COc1ccc2c(c1)NC(=O)[C@@]2(C)SC 2041546 SFVZIVXOLLXLNA-NSHDSACASA-N 223.297 2.226 0 40 BEAB CS(=O)(=O)Nc1ccccc1C(F)(F)F 3160519 GXPGKOGAGPTQOO-UHFFFAOYSA-N 239.218 2.077 0 40 BEAB O=C(O)[C@@H]1CCCCN1Cc1cccc(F)c1 3754807 QEHMFYMCFXCQIA-LBPRGKRZSA-N 237.274 2.265 0 40 BEAB CCCSc1nnc(NC(=O)C2CC2)s1 4079411 JLBSKONWHNXHAS-UHFFFAOYSA-N 243.357 2.389 0 40 BEAB CC(=O)c1cccc(NC(=O)C2CCOCC2)c1 8719185 OJFXJMJSNHREIA-UHFFFAOYSA-N 247.294 2.254 0 40 BEAB O=C(O)/C=C/c1cnc(-c2ccccc2)nc1 8727642 ODFFGNQDSZBUHV-VOTSOKGWSA-N 226.235 2.241 0 40 BEAB Fc1ccc(-c2cc(-c3nnco3)n[nH]2)cc1 8740997 GDTRAZUXRGCZAE-UHFFFAOYSA-N 230.202 2.266 0 40 BEAB CC(C)[C@@H](C)NS(=O)(=O)c1ccccc1 9513790 MEBKLVWLMKGVNW-SNVBAGLBSA-N 227.329 2.009 0 40 BEAB CCOc1c(Cl)cc(CN)cc1OC 11799752 HVUKTAJVZURFDP-UHFFFAOYSA-N 215.680 2.206 0 40 BEAB in-vitro CN(C)/C=C1/Sc2ccccc2NC1=O 12408186 TVMPITQTJSREJK-JXMROGBWSA-N 220.297 2.134 0 40 BEAB COc1cccc2c(C)cc3nnc(S)n3c12 12505976 WOJBZTLULQBXOE-UHFFFAOYSA-N 245.307 2.488 0 40 BEAB O=C(Nc1nncs1)c1cc(F)cc(F)c1 12848980 BUAVLWKLUSMDKP-UHFFFAOYSA-N 241.222 2.069 0 40 BEAB COCCCNCc1ccccc1Cl 13718165 FKFSQUREPPJHQK-UHFFFAOYSA-N 213.708 2.466 0 40 BEAB Cc1nnc(NC(=O)CC2CCCC2)s1 14019890 ZSPRMLROBZGJHQ-UHFFFAOYSA-N 225.317 2.365 0 40 BEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(C)C 18067116 UZPPDSZWSKASDE-UHFFFAOYSA-N 212.318 2.330 0 40 BEAB COc1ccc2cc([C@H](C)NN)ccc2c1 19516645 SMPZSDNKCIECTD-VIFPVBQESA-N 216.284 2.373 0 40 BEAB CCCCn1c(S)nnc1[C@H](CC)N(C)C 20267842 BBXXCLXQSSWSIT-VIFPVBQESA-N 242.392 2.380 0 40 BEAB c1ccc(-c2ncc(C3=NCCO3)o2)cc1 22114938 AMXXKKDYJXVVPY-UHFFFAOYSA-N 214.224 2.118 0 40 BEAB COc1ccc(-c2cc(C(=O)O)no2)c(F)c1 22168098 JJOTVYNDKCWFOX-UHFFFAOYSA-N 237.186 2.188 0 40 BEAB C[C@@H]1Oc2c(C(=O)N(C)C)cccc2[C@H]1C 32820093 NSSNZERKLFXAST-IUCAKERBSA-N 219.284 2.273 0 40 BEAB CCNC(=O)c1cc(SC)ccc1C 32906770 BTMVMSFMDWKOER-UHFFFAOYSA-N 209.314 2.467 0 40 BEAB CCn1c(C)c(C(=O)O)c2cc(O)ccc21 33419793 BLNAAGGKSUKFNO-UHFFFAOYSA-N 219.240 2.373 0 40 BEAB O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1F 35237881 YRVSCVNLDHBJNP-UHFFFAOYSA-N 239.637 2.455 0 40 BEAB C[C@@H](NC(=O)c1ccoc1)c1ccco1 36392503 UWTCESBNJAPASR-MRVPVSSYSA-N 205.213 2.364 0 40 BEAB NC1CCN(Cc2ccc(F)c(Cl)c2)CC1 38539760 ALGMTGVLDUQQSJ-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB COCc1ccccc1C(=O)N1CCCCC1 40073294 GKGSDIVGFXDHSK-UHFFFAOYSA-N 233.311 2.459 0 40 BEAB Cc1nnc(NC(=O)NCc2ccccc2)s1 40526547 NFRMGAXZCRFADN-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB C[C@@H](NC[C@H]1CCCN(C)C1)c1ccccn1 44535413 BCQHUTMQYWHWAV-CHWSQXEVSA-N 233.359 2.074 0 40 BEAB CONC(=O)c1cc(C2CC2)nc2ccccc12 48443103 PBYGEGWBKNPAQV-UHFFFAOYSA-N 242.278 2.403 0 40 BEAB CC1(C)Oc2ccc(NC(=O)NC3CC3)cc2O1 48546981 BHTTXYXUXWOZIW-UHFFFAOYSA-N 248.282 2.478 0 40 BEAB O=C(O)CNc1ccc(C(F)(F)F)cc1 54965017 GQTSZOJDWDRDFP-UHFFFAOYSA-N 219.162 2.202 0 40 BEAB COC(=O)CCCc1nnc(-c2ccccc2)o1 58811375 PROCOXSBQZDSPE-UHFFFAOYSA-N 246.266 2.232 0 40 BEAB CC1=CC(=O)N([C@@H](C)c2ccsc2)C1=O 61363989 UNVZTFXPQAANNM-QMMMGPOBSA-N 221.281 2.124 0 40 BEAB Cn1nc2c(Br)cccc2c1C=O 67173960 NSLRTSWDWSKOIE-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C 72208908 NGIVTSQPSSMURS-DTWKUNHWSA-N 231.336 2.307 0 40 BEAB COc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)cc1 72226407 WKBSCXWZLBZFJW-UHFFFAOYSA-N 249.295 2.185 0 40 BEAB Cc1ccc(CN2C[C@H]3CCCN3C[C@H]2C)o1 72324615 UYQGLBTWCVURPF-DGCLKSJQSA-N 234.343 2.257 0 40 BEAB CN1CCC[C@@H]1c1cccc(N2CCCC2)n1 72386403 ITBAWELFJHINFA-CYBMUJFWSA-N 231.343 2.449 0 40 BEAB c1ccc2c(c1)CCN2C[C@@H]1CCCO1 72801291 DQNUUGYWAXZLNE-LBPRGKRZSA-N 203.285 2.228 0 40 BEAB Cc1noc(CNc2cccc(F)c2C)n1 72913261 QFRUYSFKEGJDMI-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB Cc1nnc(-c2ccc(NC(=O)C3CC3)cc2)o1 74827616 CHYRDNVFTMGYEQ-UHFFFAOYSA-N 243.266 2.394 0 40 BEAB N[C@H]1CCCn2cc(-c3ccc(F)cc3)nc21 76028297 HBXAMQFTAKPACU-NSHDSACASA-N 231.274 2.483 0 40 BEAB CC(C)Cn1c(Cn2ccnc2)ccc1C(=O)O 78404702 FOCYYVOFPCGGCP-UHFFFAOYSA-N 247.298 2.087 0 40 BEAB O=C([C@H]1CCCOC1)N1CCCc2ccccc21 82322399 RHDGNOPDDUXQCO-ZDUSSCGKSA-N 245.322 2.392 0 40 BEAB COC(=O)c1ccc(C(=O)C2CCCC2)o1 85394219 NHFOQGSFQFOZLZ-UHFFFAOYSA-N 222.240 2.439 0 40 BEAB Cc1ccn(CCN(C)c2ccccc2)c(=O)c1 89700609 ICGWTJDTHAJFHX-UHFFFAOYSA-N 242.322 2.293 0 40 BEAB CCO[C@@H](C)c1noc([C@@H]2CCCOC2)n1 89984970 BQHWIFQXCJDEAA-DTWKUNHWSA-N 226.276 2.061 0 40 BEAB CS[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 96119994 UBBAVMXIVOGSHT-NSHDSACASA-N 239.315 2.403 0 40 BEAB COc1cc(OCC(C)C)sc1C(=O)O 96510872 AMHNOOZHXIKMBR-UHFFFAOYSA-N 230.285 2.490 0 40 BEAB N[C@H]1CCN(Cc2cc(F)ccc2Cl)C1 96523493 JBZRJLBAMFLCAH-JTQLQIEISA-N 228.698 2.012 0 40 BEAB O=C1C2(C[C@H]3C=C[C@H]2C3)C(=O)C12C[C@H]1C=C[C@H]2C1 104213281 LHVUQOXIEJINII-OTKQKMJRSA-N 240.302 2.303 0 40 BEAB CN(CC(=O)O)c1cccc2ccccc12 224986082 XLWUZVGMYUIMJU-UHFFFAOYSA-N 215.252 2.361 0 40 BEAB O=S1(=O)c2ccccc2CN1C1CCCC1 629399464 HFHHJSOJOQBQMC-UHFFFAOYSA-N 237.324 2.134 0 40 BEAB CCc1cc(C(=O)Nc2nc(C)cs2)ncn1 1888843958 HRKAQKWJTYNAHB-UHFFFAOYSA-N 248.311 2.056 0 40 BEAB CCNS(=O)(=O)c1ccc2ccccc2c1 577361 DDANNVJWHXFIDK-UHFFFAOYSA-N 235.308 2.138 0 40 BEAB c1ccc([C@H]2CSc3cccc[n+]3O2)cc1 1443681 AZPIKZCKKZULAP-GFCCVEGCSA-N 230.312 2.250 0 40 BEAB CN1CCCC[C@@H]1CCN1CCCCC1 1641423 YWMAWIWYSHEARC-CYBMUJFWSA-N 210.365 2.347 0 40 BEAB in-vitro CC(C)(C)N[S@](=O)c1ccsc1 4668715 QYVFYBIJYDHNMQ-LBPRGKRZSA-N 203.332 2.159 0 40 BEAB CCN1C(=O)S/C(=C\c2cccn2C)C1=O 5509699 REJVUDCCHFACHG-CLFYSBASSA-N 236.296 2.081 0 40 BEAB C[C@H]1[C@H]2C[C@H]([C@@H](CN(C)C)C2=O)C1(C)C 5955058 IORDCIHONMRMKU-LNFKQOIKSA-N 209.333 2.045 0 40 BEAB O=Cc1cccn1[C@H](Cc1ccccc1)C(=O)O 12404609 XZAYKRMTIYRFEF-CYBMUJFWSA-N 243.262 2.169 0 40 BEAB CN(C)c1ncc2c(n1)CCC[C@@H]2NC1CCC1 15061877 BVMBMEIAJPYCJN-LBPRGKRZSA-N 246.358 2.062 0 40 BEAB CC(C)Sc1n[nH]c(=O)n1Cc1ccccc1 16801531 DZJPKCWQAGKEHD-UHFFFAOYSA-N 249.339 2.120 0 40 BEAB CC(C)CCNC(=O)c1cccc(N)c1 19395275 GVLBLVWVHCBNSB-UHFFFAOYSA-N 206.289 2.045 0 40 BEAB CNC(=O)C1CCN([C@H](C)c2ccccc2)CC1 24838270 JXCSDZKFBVIUGN-GFCCVEGCSA-N 246.354 2.206 0 40 BEAB Cc1[nH]nc2c1CN(Cc1ccccc1)CC2 26461039 RZSLOJMDEPXRTO-UHFFFAOYSA-N 227.311 2.276 0 40 BEAB Cc1cc(NC(=O)c2sccc2C)n(C)n1 27934155 OHVIWPVFPFRAGI-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 35347419 LIABTWRCSCWKGU-SNVBAGLBSA-N 247.294 2.257 0 40 BEAB CCNc1ccc([C@@H]2CCCN2C)cn1 39039605 AIVCGSKEACPYBS-NSHDSACASA-N 205.305 2.280 0 40 BEAB Cc1ccccc1CC(=S)N1CCOCC1 39125028 QHCOWSSRBVXMRA-UHFFFAOYSA-N 235.352 2.197 0 40 BEAB CC(=O)c1ccc2cc(C(=O)O)[nH]c2c1 39341723 DTAKUXFNRLNAJT-UHFFFAOYSA-N 203.197 2.069 0 40 BEAB in-vitro CC1=C2C(=O)C[C@H](C)[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 43743045 NBGLHQUCXXCSLL-YHMRHEDISA-N 248.322 2.500 0 40 BEAB Cc1cc(CC(=O)O)c(Cl)cc1F 44374559 XPGOIJCIDMBMFA-UHFFFAOYSA-N 202.612 2.415 0 40 BEAB Cc1cc(N)cc(C)c1NC(=O)C(C)C 45888240 DPYUHLUAVFTCEQ-UHFFFAOYSA-N 206.289 2.480 0 40 BEAB CCCN(CCC)C(=O)Cn1nc(C)cc1C 53365794 ZKCPLAKVVIQCNZ-UHFFFAOYSA-N 237.347 2.149 0 40 BEAB Cc1ccc(NC(=O)N2CC(N(C)C)C2)cc1C 59727585 IEWGMOXVOYATMG-UHFFFAOYSA-N 247.342 2.081 0 40 BEAB CCOc1ccc([C@@H](CNC)OCC)cc1 62711548 ANKDXIJKQSGIHK-CYBMUJFWSA-N 223.316 2.382 0 40 BEAB Cc1cnn(CC2CC2)c1NC(=O)[C@H]1C[C@H]1C 69137061 BHPRHTUNUBTSRF-KCJUWKMLSA-N 233.315 2.196 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccccn1 72210998 UHNXDDAOMPMYCW-GFCCVEGCSA-N 204.273 2.155 0 40 BEAB CN1CCC[C@H](C(=O)Nc2ccccc2F)C1 82324146 AQSPRKBXNJCRDX-JTQLQIEISA-N 236.290 2.106 0 40 BEAB CSC[C@@H]1CCCN1CCc1ccncc1 89493462 TYGJWLYKOKKVCD-ZDUSSCGKSA-N 236.384 2.452 0 40 BEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccon1 89922475 ZCAVDMUAONDKEQ-SCVCMEIPSA-N 234.299 2.468 0 40 BEAB CCCCn1cc(-c2nc(CN)cs2)cn1 95093934 ICCAGRGYZPQELW-UHFFFAOYSA-N 236.344 2.265 0 40 BEAB Cn1cc([C@@H]2CCCN2Cc2cscn2)cn1 95349683 BHMVRDZJBUXXHB-LBPRGKRZSA-N 248.355 2.214 0 40 BEAB Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)CC2 95705135 GUYWJUSKLIGOJK-UHFFFAOYSA-N 249.314 2.078 0 40 BEAB CCc1noc(CS[C@H]2CCO[C@@H]2C)n1 95974158 QVMDBWSPKSHBER-SFYZADRCSA-N 228.317 2.043 0 40 BEAB O=C(OCC[C@H]1CCCO1)c1cccs1 96453099 KWKNNKLBWCUDRT-SECBINFHSA-N 226.297 2.474 0 40 BEAB Clc1nccnc1Nc1cccnc1 96530015 WNTSHPDYSLHCMV-UHFFFAOYSA-N 206.636 2.269 0 40 BEAB Cc1ncsc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 102066563 UQECXWWIKIESSX-RKDXNWHRSA-N 236.340 2.180 0 40 BEAB Cc1c(C)c(C)c([C@@H](N)C(=O)O)c(C)c1C 220825786 ACSNAEZQZPSDQM-GFCCVEGCSA-N 221.300 2.313 0 40 BEAB Cc1cc(CO)c(C)n1Cc1ccccn1 223699710 LWTQXJAFYOLRFG-UHFFFAOYSA-N 216.284 2.041 0 40 BEAB COc1cc(C(=O)C(F)(F)F)ccc1C=O 1504244732 DDWZNBHQKWBTSK-UHFFFAOYSA-N 232.157 2.253 0 40 BEAB Nc1ccc(Br)c2ocnc12 2362801599 KYVFKAFQPHKSCF-UHFFFAOYSA-N 213.034 2.173 0 40 BEAB CCSc1cc(C)nc(NC(=O)CC)n1 242584 JDWXJSNIZWVWHV-UHFFFAOYSA-N 225.317 2.246 0 40 BEAB O[C@H](Cc1cccnc1)C(Cl)(Cl)Cl 494685 FPQQQXMBADMPTF-SSDOTTSWSA-N 240.517 2.355 0 40 BEAB C[C@@](N)(C(=O)O)c1ccc2ccccc2c1 3677086 TWZOVALINORIBA-ZDUSSCGKSA-N 215.252 2.098 0 40 BEAB CCC(CC)C(=O)NCc1ccc2c(c1)OCO2 4156403 HHZOLVJKOWONFI-UHFFFAOYSA-N 249.310 2.468 0 40 BEAB CCN1C[C@@H]2CCN[C@@H]2c2ccccc21 4202987 VLWRWRLWJUVOTM-GWCFXTLKSA-N 202.301 2.177 0 40 BEAB CC[C@H](CO)NC/C=C/c1ccccc1 6542123 DFLZFWRORFEHIO-YSKGHYERSA-N 205.301 2.060 0 40 BEAB CN(Cc1ccco1)C(=O)c1ccco1 6675752 ZWSLDSODOLVDEX-UHFFFAOYSA-N 205.213 2.145 0 40 BEAB N[C@@H]1CCCC[C@@H]1OCc1ccccc1 6864220 NTHNRYLIXJZHRZ-OLZOCXBDSA-N 205.301 2.473 0 40 BEAB CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 12408923 GIRVZKMQGSXZKT-YFHOEESVSA-N 249.291 2.409 0 40 BEAB c1ccc(CCCO[C@H]2CCCNC2)cc1 14631568 KALLVCSEBNHPMQ-AWEZNQCLSA-N 219.328 2.388 0 40 BEAB Fc1cc(Cl)ccc1O[C@@H]1CCNC1 14632305 ZSDCLAIAWPOQPG-MRVPVSSYSA-N 215.655 2.220 0 40 BEAB in-vitro O=Cc1ncc(Br)cc1Cl 15684487 VDAHJBCDOAWAQA-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB in-vitro CC[C@@H](C)c1cnc(CC(C)C)c(=O)[nH]1 16928871 NQUCTITVLHEDIU-SECBINFHSA-N 208.305 2.482 0 40 BEAB CCN1CNC(=S)N(c2cccc(C)c2C)C1 20190982 DCADRRFPIYCBTM-UHFFFAOYSA-N 249.383 2.235 0 40 BEAB O=c1ccc(-c2cccc(C(F)(F)F)c2)n[nH]1 26420408 XNYLGZGSUSLBKD-UHFFFAOYSA-N 240.184 2.456 0 40 BEAB O=C(O)c1cc(-c2ccccc2)nnc1Cl 26506920 SPWKYXOBPSZEGK-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB CC[C@H](C)[C@H]1N=C(O)N(C2CCCCC2)C1=O 28117272 GTKOHXKZTJRLKJ-GXSJLCMTSA-N 238.331 2.490 0 40 BEAB CON(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 32779848 XCXLVWOZDFYWFA-UHFFFAOYSA-N 238.674 2.455 0 40 BEAB C[C@@H](O)c1cc(Br)cnc1F 32914800 WWCXWHCEIGTHSO-SCSAIBSYSA-N 220.041 2.037 0 40 BEAB Cn1cc(Nc2ncnc3sccc23)cn1 35781656 ZPIDPMKLIFNYNB-UHFFFAOYSA-N 231.284 2.168 0 40 BEAB C[C@@H](CCc1ccc(O)cc1)NCc1cc[nH]n1 37140296 OWIDFYAKEQOONF-NSHDSACASA-N 245.326 2.226 0 40 BEAB CCOC(=O)[C@@H](C)Nc1ccc(C)cc1 37953578 HCJFOQZMXYHOSU-SNVBAGLBSA-N 207.273 2.359 0 40 BEAB Cc1cccc(C(=O)NCc2cccc(O)c2)n1 38032096 OZIBWPIXFIKZLT-UHFFFAOYSA-N 242.278 2.026 0 40 BEAB C[C@@H](Cc1ccc(F)c(F)c1)C(=O)O 38842973 UBWKSHCOWRUZGP-LURJTMIESA-N 200.184 2.228 0 40 BEAB O=C(O)c1c[nH]cc1-c1ccc(Cl)nc1 39150148 RXHPHZAKBICZQI-UHFFFAOYSA-N 222.631 2.428 0 40 BEAB CN(C)c1ccc2nc(C=O)sc2c1 40538933 IFYZXOCVJIVGRJ-UHFFFAOYSA-N 206.270 2.175 0 40 BEAB O=C(O)CC[C@@H]1CCCN(Cc2ccncc2)C1 43585264 YLAWTFJEIHBEFD-LBPRGKRZSA-N 248.326 2.158 0 40 BEAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C)no1 44633351 KFQKLEKLQVBOBR-XRNSZHNASA-N 234.299 2.303 0 40 BEAB Cc1ccc2c(c1)nc(-c1ccnn1C)n2C 48879949 WXUUYLOTQLIGTH-UHFFFAOYSA-N 226.283 2.282 0 40 BEAB C[C@@H]1CNCCN1Cc1c(F)cccc1Cl 54373012 FJPPQWSCJPFFFT-SECBINFHSA-N 242.725 2.273 0 40 BEAB Fc1cccc(NCc2ncccn2)c1F 54459374 WXAMPXUPZGVJSA-UHFFFAOYSA-N 221.210 2.367 0 40 BEAB Cc1cccc(NCCc2n[nH]c(C)n2)c1 62719179 HMOAQOBSKKNYEI-UHFFFAOYSA-N 216.288 2.076 0 40 BEAB CCCCNC(=O)c1ccc(Cn2cccn2)o1 69454347 JVHVCMMNPNHLGB-UHFFFAOYSA-N 247.298 2.054 0 40 BEAB Cc1ncsc1C(=O)OC[C@@H]1CCCCO1 71970803 UZUNGVMMTVMSIZ-VIFPVBQESA-N 241.312 2.177 0 40 BEAB CSc1ccc([C@@H]2CCCN2C=O)cn1 72216868 CJWBSZRSVBRRNM-JTQLQIEISA-N 222.313 2.097 0 40 BEAB c1ccc2c(C[C@@H]3CCNC3)cncc2c1 72367578 DXFBGDARBALNCX-NSHDSACASA-N 212.296 2.387 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1 72411159 RZBAYURBQUDRQO-OLZOCXBDSA-N 222.307 2.185 0 40 BEAB Cc1sc2nc(-c3ccon3)[nH]c(=O)c2c1C 74797441 BVBAWBKZHMBJDG-UHFFFAOYSA-N 247.279 2.256 0 40 BEAB Cc1ccc(-n2nc(C(C)(C)C)cc2N)cn1 75629362 XCKVJAWYMIZRMF-UHFFFAOYSA-N 230.315 2.455 0 40 BEAB COc1cc(-c2nc(C3CC3)n[nH]2)ccc1O 85384190 MGJNURYQSHXZKV-UHFFFAOYSA-N 231.255 2.063 0 40 BEAB C[C@@H]1C[C@@]1(CN)[C@H](O)c1cccc(Cl)c1 96527188 XBJANVHKFVLHTL-FXAINCCUSA-N 225.719 2.358 0 40 BEAB Cc1cc2c(cc1NC(=O)C1CC1)OCO2 97237582 BIPKXAPKDKORDZ-UHFFFAOYSA-N 219.240 2.072 0 40 BEAB CN(C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 100085730 BAKQGMLJAGYMQC-XYPYZODXSA-N 242.363 2.384 0 40 BEAB CC(=O)c1ccc(N)cc1C(F)(F)F 199544257 UKBUXSRZJBFGMN-UHFFFAOYSA-N 203.163 2.490 0 40 BEAB Nc1cc(-c2nc(C3CC3)cs2)no1 1857794403 YNQACMHVDKOZPV-UHFFFAOYSA-N 207.258 2.258 0 40 BEAB CSc1nc(C)cc(N2CCCCC2)n1 1889070762 FASQLXCPFALWLF-UHFFFAOYSA-N 223.345 2.497 0 40 BEAB CCOc1ccc(CC(=O)O)c(OCC)c1 3750820 PIDDVCPZJQKSBS-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB CO[C@]1(c2ccccc2)C[C@]12C[C@]2(C)C(=O)O 4025342 NEWSMEZTKJNJKD-RDBSUJKOSA-N 232.279 2.413 0 40 BEAB biogenic O=C(NCCNC1CCCC1)c1cccs1 4498184 MRMLAXRSQYZRPS-UHFFFAOYSA-N 238.356 2.010 0 40 BEAB CN(c1ccccc1)c1ncnc2c1cnn2C 8583107 PEKDOBCIWCGMTD-UHFFFAOYSA-N 239.282 2.131 0 40 BEAB CCCCCSc1nnc(C)c(O)n1 8772792 OTFCAKYDZUCINO-UHFFFAOYSA-N 213.306 2.168 0 40 BEAB CC(C)c1cc(C(=O)O)nn1-c1ccccn1 11567051 JBMRPCUQTJIHOR-UHFFFAOYSA-N 231.255 2.089 0 40 BEAB in-vitro CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1O 12902965 BYEDXEPIODQKAI-UHFFFAOYSA-N 232.235 2.318 0 40 BEAB biogenic CSCCC(=O)NCc1ccc(C)cc1 13005038 FNZZYTPYIPUBAW-UHFFFAOYSA-N 223.341 2.364 0 40 BEAB NNc1nc2ccccc2n1Cc1ccccc1 13233909 WOMDKZPPJCZPCR-UHFFFAOYSA-N 238.294 2.370 0 40 BEAB c1ccc2[nH]c(CC3CCNCC3)nc2c1 15423951 AJDJDMWYUXQCIF-UHFFFAOYSA-N 215.300 2.105 0 40 BEAB in-vitro COc1ccccc1C(=O)OC1CCC1 32179634 GMADQDHAPAAUKX-UHFFFAOYSA-N 206.241 2.405 0 40 BEAB COc1cc2c(cc1OC)[C@H](C)CC2=O 32231827 SOCFELMKQMPCFC-SSDOTTSWSA-N 206.241 2.394 0 40 BEAB C[C@@H](CCc1ccccc1)NC(=O)NC1CC1 32843695 PNYGPAAFGRVMNP-NSHDSACASA-N 232.327 2.469 0 40 BEAB CCCN(CC(=O)O)c1ccc(C)cc1 37474221 LVHHWSZUACUJBP-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB OC[C@@H](Cc1ccccc1)NCc1cccs1 38123793 IXTDVPVBHOQIHG-CYBMUJFWSA-N 247.363 2.441 0 40 BEAB CCc1ccc(C2=NO[C@](C)(C(=O)O)C2)cc1 38276666 PLPUQGBFYDWOHI-ZDUSSCGKSA-N 233.267 2.217 0 40 BEAB CC[C@@H](C)[C@H](Nc1nc(C)cc(C)n1)C(=O)O 38548934 GZWOAOZIERMSMZ-XCBNKYQSSA-N 237.303 2.005 0 40 BEAB CC(C)[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 39121915 IJBQVGBVDHATME-PRHODGIISA-N 243.303 2.010 0 40 BEAB Cc1ccc(CN(C)[C@@H]2C[C@H](C)OC2=O)c(C)c1 40477643 LCGBZLIALHHGHC-GXTWGEPZSA-N 247.338 2.439 0 40 BEAB COc1cc(-c2ncc[nH]2)cc(OC)c1OC 41262376 MHNRXWRFZQMYSA-UHFFFAOYSA-N 234.255 2.103 0 40 BEAB CCCNS(=O)(=O)c1ccc(C)c(Cl)c1 42985608 QZFAQQJMCLNHLR-UHFFFAOYSA-N 247.747 2.337 0 40 BEAB Nc1nnc(-c2csc(-c3ccccc3)n2)o1 43830241 YNWHDWDTWQHETN-UHFFFAOYSA-N 244.279 2.442 0 40 BEAB CC[C@@H]1CCCCN1c1cc(Cl)nc(N)n1 45023498 TUJDXKYFRBKGAU-MRVPVSSYSA-N 240.738 2.481 0 40 BEAB COCCN(CCOC)Cc1cccc(C)c1 48368168 OUJGJEXPFBWILW-UHFFFAOYSA-N 237.343 2.090 0 40 BEAB O=C1C[C@H](C(=O)O)c2c(Cl)cccc21 57496371 ZCABVHSHTGBTSM-LURJTMIESA-N 210.616 2.095 0 40 BEAB CCCCCCNCc1cnc(NC)nc1 62717449 HLFJNEZAMWTSKB-UHFFFAOYSA-N 222.336 2.188 0 40 BEAB CNc1ncc(CNC2CCCCCC2)cn1 62717465 QSFPCCQPHXUBJP-UHFFFAOYSA-N 234.347 2.331 0 40 BEAB C[C@H]1CN(CCOC(C)(C)C)CC(C)(C)O1 68334104 VBVQZNZPMSHXTG-NSHDSACASA-N 229.364 2.301 0 40 BEAB Fc1cccc(Cl)c1CN[C@@H]1CCCNC1 72203645 QSANLEXIMHKVDT-SECBINFHSA-N 242.725 2.321 0 40 BEAB Cc1cnn(C2CN(Cc3ccc(F)cc3)C2)c1 72253837 ORBAGOQBHNEGTI-UHFFFAOYSA-N 245.301 2.388 0 40 BEAB Cc1noc(C)c1CN[C@@H]1CCCSC1 75153014 WOBACIKNXYVYTD-SNVBAGLBSA-N 226.345 2.277 0 40 BEAB COC(=O)c1cc(C(C)=O)ccc1Cl 75852228 YMIRUDJJFHTLRE-UHFFFAOYSA-N 212.632 2.329 0 40 BEAB CNCc1ccc(Br)c(C)c1 82533920 SVPWYIIREAOWLM-UHFFFAOYSA-N 214.106 2.477 0 40 BEAB COC(CNc1cccc(Cl)c1)OC 82534366 NEWOFKMBVRJISN-UHFFFAOYSA-N 215.680 2.371 0 40 BEAB O=C(O)c1ccc([C@H]2CCCCC2=O)nc1 85400065 GPWJZASFCVWWAY-SECBINFHSA-N 219.240 2.007 0 40 BEAB COc1ccc([C@@H](O)c2ccccn2)c(C)c1 87753983 SXHYICABJMOZGX-CQSZACIVSA-N 229.279 2.480 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 89536774 UDWXGBZWWAUWHC-QWHCGFSZSA-N 248.326 2.107 0 40 BEAB Cc1c(Cl)cnn1Cc1noc(C2CC2)n1 89544849 XOFKQQMEGFXXCL-UHFFFAOYSA-N 238.678 2.154 0 40 BEAB CN1CC[C@H](SCCc2ccccc2)C1=O 95431612 QXNBQLSURQZRNU-LBPRGKRZSA-N 235.352 2.193 0 40 BEAB Cn1ccs/c1=N\C(=O)C=C(C1CC1)C1CC1 95953169 FURXBXLUMOXNSJ-YPKPFQOOSA-N 248.351 2.260 0 40 BEAB Cc1ncnc2ccnc(C(F)(F)F)c12 96336481 BCICKVIGGRKXAL-UHFFFAOYSA-N 213.162 2.352 0 40 BEAB CCS(=O)(=O)/C=C/c1cccc(F)c1 96510046 VNEPXQDQBDVOEO-VOTSOKGWSA-N 214.261 2.231 0 40 BEAB CO[C@@H]1CCC[C@@H]1OC(=O)c1c(C)noc1C 97094955 AMQCBVRGVVVTRK-ZJUUUORDSA-N 239.271 2.016 0 40 BEAB CCCNC(C)(C)C(=O)Nc1ccccc1 148511058 GGCXQDUESLFXOM-UHFFFAOYSA-N 220.316 2.403 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@H](O)C1 191050306 FOLWJPWTGNESSN-RWMBFGLXSA-N 209.333 2.045 0 40 BEAB O=C(NCCCc1ccco1)c1cccnc1 225433077 NYMFVGUNCQFPEZ-UHFFFAOYSA-N 230.267 2.037 0 40 BEAB COC(=O)c1cc(Br)cc(O)c1F 307439941 WMCBZNMXWZCPRM-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB CSCCC(=O)c1ccc(C#N)cc1 388789940 JXYKAMZUPMSQFI-UHFFFAOYSA-N 205.282 2.494 0 40 BEAB N#Cc1cnccc1Oc1cccc(C(=O)O)c1 399101064 VRXDYLVSPOWASE-UHFFFAOYSA-N 240.218 2.444 0 40 BEAB Cc1ocnc1C(=O)N[C@@H]1C[C@H]1c1ccsc1 529998654 GDAQPEOESUVNTH-VHSXEESVSA-N 248.307 2.330 0 40 BEAB CCc1cc(C(=O)Nc2ccc(F)cc2)ncn1 1888860119 GPQINTKPEUPTPW-UHFFFAOYSA-N 245.257 2.430 0 40 BEAB Cn1cnc(-c2ccc3cnccc3c2)n1 2362801763 SDAIZYJPMRJAEM-UHFFFAOYSA-N 210.240 2.030 0 40 BEAB CNc1ccccc1C(=O)NCc1ccncc1 145231 TWAKDKSYECSOGB-UHFFFAOYSA-N 241.294 2.053 0 40 BEAB COc1ccc(CC(=O)n2ccc(C)n2)cc1 215362 ZPHQIZFNJPCLJF-UHFFFAOYSA-N 230.267 2.083 0 40 BEAB CSc1nnc(NC(=O)CC(C)C)s1 364128 KMDSKHSBAJTSGT-UHFFFAOYSA-N 231.346 2.245 0 40 BEAB CC(C)NC[C@H](O)COc1ccccc1C1CC1 1567464 RTAGQMIEWAAKMO-ZDUSSCGKSA-N 249.354 2.302 0 40 BEAB in-man CCOC(=O)/C=C/c1ccc(OC(C)=O)cc1 1672365 IFUFLGMRDPXNFA-RMKNXTFCSA-N 234.251 2.188 0 40 BEAB O=C(CSCCO)Nc1cccc(Cl)c1 2143858 UVCAKPBQFXMWQC-UHFFFAOYSA-N 245.731 2.004 0 40 BEAB O=C(O)CCCC(=O)c1ccccc1F 2378735 JLWPLUVEHPUZJI-UHFFFAOYSA-N 210.204 2.263 0 40 BEAB in-vitro O=C(O)c1cncc(C(=O)O)c1-c1ccccc1 4015429 BVVVPGYTZTWFBW-UHFFFAOYSA-N 243.218 2.145 0 40 BEAB CC(=O)C(Cl)(Cl)C(=O)Nc1ccccc1 4576894 STYLOIFXMPTTDR-UHFFFAOYSA-N 246.093 2.388 0 40 BEAB CN(C)C[C@@H](O)COc1cccc2ccccc12 4951879 NRIDRINPRIUAKP-CYBMUJFWSA-N 245.322 2.141 0 40 BEAB CCSc1ccccc1C(=O)NCCOC 6439966 KQSHJXIQZZAIIR-UHFFFAOYSA-N 239.340 2.175 0 40 BEAB O=C(O)c1ccc(OCc2ccccn2)cc1 9239053 FONKVXGQOAAQSQ-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro S=c1[nH]nc(C2CC2)n1Cc1ccco1 12484591 YXIWUVAHHVRXPH-UHFFFAOYSA-N 221.285 2.459 0 40 BEAB in-vitro Cc1c(O)c2cc(Cl)ccc2oc1=O 12505623 MXIUFZMCZDNDJG-UHFFFAOYSA-N 210.616 2.460 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 12978795 VMXFEYGUMZFKSB-SECBINFHSA-N 244.294 2.056 0 40 BEAB C[C@H](O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1 14490838 AEPMKZIOUKHDOO-SRVKXCTJSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro COC(=O)CNc1ccc(OC(F)(F)F)cc1 20047583 RKOGBPKLVXNTSE-UHFFFAOYSA-N 249.188 2.170 0 40 BEAB COC(=O)c1ccc2ccccc2c1C(=O)OC 34581458 JGJWEXOAAXEJMW-UHFFFAOYSA-N 244.246 2.413 0 40 BEAB CC(C)(C)OC(=O)c1ccccc1CC(=O)O 36533231 FVHGXAUPJLPAKC-UHFFFAOYSA-N 236.267 2.269 0 40 BEAB CCONC(=O)c1cc(-c2ccc(C)cc2)no1 40513501 XWNKLOGDABATGU-UHFFFAOYSA-N 246.266 2.331 0 40 BEAB CNc1ccccc1C(=O)N1CCCCC1 41636009 UUWCBYCDJVXAJY-UHFFFAOYSA-N 218.300 2.354 0 40 BEAB O=C(O)Cc1cc(F)c(Cl)c(F)c1 44374554 DSNDWLRWEGZWDG-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB COC[C@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 53195953 FEWADIVOGIYACD-VIFPVBQESA-N 246.314 2.227 0 40 BEAB COc1ccc(/C=C/CC(=O)O)c(OC)c1 62710430 XXFSLPQHPKDAAY-ONEGZZNKSA-N 222.240 2.192 0 40 BEAB CCC(CC)CN1CCC(CNC)CC1 63158959 ZCCQPXOYVWQLHB-UHFFFAOYSA-N 212.381 2.354 0 40 BEAB Cc1cc(Cn2ccnc2-c2ccccn2)no1 71888745 SKLAACBEWODXGB-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB O=C(O)C[C@H](c1ccccc1)[C@H]1CCCNC1 72208313 RVDWLXJKVABGBV-QWHCGFSZSA-N 233.311 2.245 0 40 BEAB Cc1cc([C@@H]2CCCCN2C=O)ccn1 72219489 WNRZJQXXIJWCAP-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB O=C(NCc1nccs1)c1cc(Cl)c[nH]1 72271191 NKRWQBUSVLWRIB-UHFFFAOYSA-N 241.703 2.055 0 40 BEAB CC(C)C(=O)NC[C@H](C)Oc1ccccc1F 80759216 AZBFWTXQRYBCMP-JTQLQIEISA-N 239.290 2.365 0 40 BEAB O=c1[nH]cnc2scc(-c3ccncc3)c12 84846930 DUWHOSMEYMIDKJ-UHFFFAOYSA-N 229.264 2.047 0 40 BEAB O=C(O)c1ccc(OCCF)c(Cl)c1 87774166 HEOLGIFCPGCJMT-UHFFFAOYSA-N 218.611 2.387 0 40 BEAB CN(C)CC1CCC(NC(=O)C(C)(C)C)CC1 89621279 HQOCLXYCEHYRDZ-UHFFFAOYSA-N 240.391 2.269 0 40 BEAB C[C@H](O)CN[C@@H](C)Cc1ccc(Cl)cc1 91261344 WTMYRZFEAKUNDJ-UWVGGRQHSA-N 227.735 2.241 0 40 BEAB C[C@H](NC[C@@H]1CCCNC1)c1ccc(F)cc1 95147658 QOLAVFJYNHHXEP-NWDGAFQWSA-N 236.334 2.476 0 40 BEAB C[C@@H](SC[C@H](O)CO)c1ccccc1Cl 95407560 CBFZXGWCUUALQN-RKDXNWHRSA-N 246.759 2.487 0 40 BEAB CC[C@H](C)N(C)C(=O)c1ccc(C(=O)OC)cc1 95948672 RJHBQSKWHUVYEB-JTQLQIEISA-N 249.310 2.344 0 40 BEAB N[C@H](N=O)c1ccc(C(F)(F)F)cc1 96125879 NLPGNDUQTKHACF-SSDOTTSWSA-N 204.151 2.429 0 40 BEAB CCc1ccccc1NC(=O)C(=O)N(CC)CC 170390497 MAVCWBMZWLUGBJ-UHFFFAOYSA-N 248.326 2.056 0 40 BEAB CN1CCC[C@@H](c2cc(-n3ccnc3)ccn2)C1 205695445 VPKKDFOUDFAMMT-GFCCVEGCSA-N 242.326 2.077 0 40 BEAB CCCCCNc1ccc(C(=O)NC)cc1N 212239626 FLXPPWNHBCGJCN-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB C[C@H](NC(=O)c1cnco1)c1ccc(F)cc1 224063316 PLEFMFGYEIJYOR-QMMMGPOBSA-N 234.230 2.305 0 40 BEAB CCCO[C@H](Cc1cccc(OC)c1)C(=O)O 225100734 CKOIIWBKTDYSTP-GFCCVEGCSA-N 238.283 2.118 0 40 BEAB Cn1nc(O)c2cc(NC(=O)C3CCC3)ccc21 227164009 SSALEMGTHHHMNN-UHFFFAOYSA-N 245.282 2.018 0 40 BEAB C1CCC(N2CCN[C@H]3CCC[C@@H]32)CC1 242495520 GHGZLQZVXKLYNC-STQMWFEESA-N 208.349 2.145 0 40 BEAB CCCN1CC[C@@H](N)[C@@H](Cc2ccccc2)C1 242722760 XUDDQMRVXJSXHV-LSDHHAIUSA-N 232.371 2.288 0 40 BEAB CCOC(=O)[C@H]1CCN[C@H]1c1ccccc1F 257197794 JMCPIUDWVVPLKP-JQWIXIFHSA-N 237.274 2.039 0 40 BEAB NCC1(c2ccc3c(c2)OC(F)(F)O3)CCC1 258372488 UEBRGXDULKIZTF-UHFFFAOYSA-N 241.237 2.389 0 40 BEAB CCCCOCc1nn(C)cc1Br 408717431 ZWVXZUGYTSYUEG-UHFFFAOYSA-N 247.136 2.499 0 40 BEAB OC[C@H]1CN(Cc2ccccc2)CC12CCC2 1535642681 XLVOOPVDGINFQF-CQSZACIVSA-N 231.339 2.281 0 40 BEAB c1oc([C@@H]2CNCC23CCOCC3)nc1C1CC1 1908512010 KEXTVSARVCGLDJ-NSHDSACASA-N 248.326 2.036 0 40 BEAB CC(=O)N[C@@H]1c2ccccc2-c2ncccc21 1387097 UMYMSTJQBUWJAN-CQSZACIVSA-N 224.263 2.288 0 40 BEAB CC[C@]1(C(=O)O)O[C@@]1(C)c1cccs1 1675749 ORVSBSUQWSVTII-VHSXEESVSA-N 212.270 2.227 0 40 BEAB Cc1n[nH]c(C)c1CCNC1CCCC1 2565507 JGEAEMXHVQOQMG-UHFFFAOYSA-N 207.321 2.101 0 40 BEAB CCC[C@@H](C)N[C@@H](C)C(=O)NC1CCCC1 3338032 HZNSQZSYXOESAW-MNOVXSKESA-N 226.364 2.212 0 40 BEAB Nc1c(-c2cccs2)nc2ncccn12 6740885 ILBJBKAVDGYVEI-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB N[C@@H]1COc2c(Cl)cc(Cl)cc21 8699627 OKEOLIUJGZJCIX-SSDOTTSWSA-N 204.056 2.386 0 40 BEAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(C)n1 13596491 BSJNOAIHVFQYTO-UHFFFAOYSA-N 247.273 2.049 0 40 BEAB O=Cc1c[nH]c2ccc(-c3cncnc3)cc12 16946120 YOKLOOXZQHWPIE-UHFFFAOYSA-N 223.235 2.437 0 40 BEAB O=C1CCN(CCCc2ccccc2)CC1 19423698 YNDYIKOBCFEDAW-UHFFFAOYSA-N 217.312 2.284 0 40 BEAB COCc1nc(Cl)n(-c2ccccc2)n1 22125139 XZLWPQGKEZFSHG-UHFFFAOYSA-N 223.663 2.067 0 40 BEAB CCc1ccc(C(=O)Nc2cccnc2)o1 24962823 HXUQLTRWOSXDQR-UHFFFAOYSA-N 216.240 2.489 0 40 BEAB O=C(NCCc1ccc(F)cc1)NCC1CC1 24968689 HWJBJTUIOZVMDL-UHFFFAOYSA-N 236.290 2.077 0 40 BEAB Cc1ccc(OCc2ncc(C=O)cn2)cc1 26505777 PGUUTQWHIQGCBW-UHFFFAOYSA-N 228.251 2.177 0 40 BEAB CCCC[C@@H](O)CNCc1ccccc1 26897779 HQBWWSLWQZDYQM-CYBMUJFWSA-N 207.317 2.327 0 40 BEAB Cc1nn(-c2cccc(F)c2)c(C)c1C=O 32013242 YTXDWSBTEUPRHG-UHFFFAOYSA-N 218.231 2.441 0 40 BEAB CCOc1ccc(C2=NN=C(N)S[C@@H]2C)cc1 32502411 TWNCBMIQVZKXID-MRVPVSSYSA-N 249.339 2.239 0 40 BEAB COc1ccc([C@H]2CCCN2C(C)=O)cc1OC 32904675 FUKMPIJOBJEHBJ-GFCCVEGCSA-N 249.310 2.387 0 40 BEAB CCN(CC)[C@H](CN)c1ccccc1C 38827558 OWQIRLVOUXXGRO-CYBMUJFWSA-N 206.333 2.337 0 40 BEAB CC(C)(Br)C(=O)NC1CCCC1 41694473 HUWMDZZZJXREGC-UHFFFAOYSA-N 234.137 2.219 0 40 BEAB O=C(O)Cc1ncc(Cl)cc1Cl 44375714 DZMNCSKJMQTCMJ-UHFFFAOYSA-N 206.028 2.016 0 40 BEAB Cc1cc(CN(C)C(=O)C[C@@H]2C=CCC2)no1 47665377 YOSUZNYNMDHULQ-LLVKDONJSA-N 234.299 2.298 0 40 BEAB CCN(CC)C(=O)C(=O)Nc1cc(C)cc(C)c1 48724773 HHEHCCRNDNQUIN-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB CC(C)NC(=O)c1ccn(-c2cccc(F)c2)n1 49031393 IICHQSXGHIJWGJ-UHFFFAOYSA-N 247.273 2.150 0 40 BEAB CCN(CC(C)C)C(=O)Cc1cccc(N)c1 52922393 DCUCWFUDMJKKOJ-UHFFFAOYSA-N 234.343 2.316 0 40 BEAB CCC(=O)c1cc(OC)c2c(c1OC)OCO2 65336640 ULIALFNCJGGZBT-UHFFFAOYSA-N 238.239 2.025 0 40 BEAB Cc1cn([C@H](C)c2ccccc2)nc1N 69901993 ZIPICRBLGVTJKQ-SNVBAGLBSA-N 201.273 2.383 0 40 BEAB in-vitro O=C(O)c1nnn(C2CCCCC2)c1Cl 72220895 NHRDZJYDOCUSMI-UHFFFAOYSA-N 229.667 2.135 0 40 BEAB Cc1csc(COC(=O)c2ccccn2)n1 76093138 RCIDRGARGITLSD-UHFFFAOYSA-N 234.280 2.204 0 40 BEAB CC(=O)Nc1ccc2cc(C=O)cnc2c1 78404173 WKOACUPLDNIAMI-UHFFFAOYSA-N 214.224 2.006 0 40 BEAB O=C(O)C1CC(Cc2ccc(F)cc2)C1 83986976 GBYDJTINMVVFTO-UHFFFAOYSA-N 208.232 2.479 0 40 BEAB Cc1ccc(F)cc1C(=O)CSCC(=O)O 95634384 WSFAWPWSBVAUHO-UHFFFAOYSA-N 242.271 2.135 0 40 BEAB CCC[C@H](C(=O)N1CC[C@@H](CCO)C1)C(C)C 95979546 IBKNEGULTHTECG-STQMWFEESA-N 241.375 2.290 0 40 BEAB O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCCO1 96484157 KLGNXSWHPGNCED-JTQLQIEISA-N 241.674 2.163 0 40 BEAB O=C(Cc1cccnc1)Nc1ncccc1Cl 97046929 VFSMPRYUMHXDHK-UHFFFAOYSA-N 247.685 2.311 0 40 BEAB O=C1c2ccccc2C[C@@H]1C(=O)C(F)(F)F 100085618 PNRJZXFAWRYLHE-QMMMGPOBSA-N 228.169 2.173 0 40 BEAB C1CC[C@@H]2[C@@H](C1)CCN[C@H]2CN1CCCC1 102224558 WYMMZJPKJFWTSS-MJBXVCDLSA-N 222.376 2.251 0 40 BEAB CC(C)c1nsc(N[C@@H]2C[C@H]3CC[C@H]2O3)n1 107518551 NMIMMIDJVAQSDO-IWSPIJDZSA-N 239.344 2.393 0 40 BEAB OCc1ccc2ncc(Br)cc2c1 118158658 CZOMMVHVPHQZMP-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB COc1ccccc1-c1noc(-c2cnco2)n1 216621166 YXVWJNOGTAUUGC-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB CCNc1ncnc(Cl)c1-n1cccc1 217468173 LMIVXKNVCDGQTN-UHFFFAOYSA-N 222.679 2.353 0 40 BEAB COCCSc1cc(C(=O)O)ccc1C 218301247 ADWCKPXNVLCUGR-UHFFFAOYSA-N 226.297 2.432 0 40 BEAB CC(C)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224085076 ZUYPESQMYNAILG-KFWWJZLASA-N 234.387 2.225 0 40 BEAB Brc1nsc(C2CCOCC2)n1 230109812 FSIMUSKSELUXEI-UHFFFAOYSA-N 249.133 2.195 0 40 BEAB COc1nn(C)cc1NCc1ccc(F)cc1 256052626 OBWLWHYXEMLCRA-UHFFFAOYSA-N 235.262 2.180 0 40 BEAB Cc1cn[nH]c1[C@@H]1CCN(Cc2cscn2)C1 257247565 IZNGAFXVDWAWEQ-SNVBAGLBSA-N 248.355 2.164 0 40 BEAB CCCN1C(=O)S/C(=C\c2ccc[nH]2)C1=O 409129928 SUKFWJNGGVMCOP-CLFYSBASSA-N 236.296 2.461 0 40 BEAB COC(=O)CC(=O)n1c(C)cc2ccccc21 521395826 IEENQVYNWKQNBS-UHFFFAOYSA-N 231.251 2.153 0 40 BEAB Clc1cnc(OCC2CC=CC2)nc1 585651663 OZDYFSKXIVSQHU-UHFFFAOYSA-N 210.664 2.475 0 40 BEAB CCc1[nH]c2c(O)cccc2c(=O)c1C 685938747 VTYGFJCKKRRDPX-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB Cc1c(-c2ccccc2)nc(N(C)C)oc1=O 1610042 KMJUTRLCWWBGFH-UHFFFAOYSA-N 230.267 2.076 0 40 BEAB CN(C)c1nc(Cl)cc2nc(Cl)cn12 1719427 SFEZLNNIQQUFMD-UHFFFAOYSA-N 231.086 2.102 0 40 BEAB CC(C)[C@H](C(=O)NCCN(C)C)c1ccccc1 1900175 BVSYVNIQWHRVIB-AWEZNQCLSA-N 248.370 2.104 0 40 BEAB CCn1cc(CNCc2ccccc2)cn1 2536061 XSCIKDBVIWSHPH-UHFFFAOYSA-N 215.300 2.193 0 40 BEAB CC1(C)CC(=N)C=C(N2CCOCC2)C1 3885446 NTIXHOXCCITANS-UHFFFAOYSA-N 208.305 2.042 0 40 BEAB C1CC[C@@H]2C[C@H](NC3=NCCO3)CC[C@@H]2C1 5046317 GEUSRXMGTZSERI-QJPTWQEYSA-N 222.332 2.321 0 40 BEAB CC(=O)OCC(=O)Nc1c(C)cc(C)cc1C 6825431 LWVMLLHHEDTCDE-UHFFFAOYSA-N 235.283 2.113 0 40 BEAB CCOc1ccc(O[C@H](CC)C(=O)O)cc1 8729623 ZUYNVKYBZLGKMH-LLVKDONJSA-N 224.256 2.327 0 40 BEAB CCN(CCC(=O)O)c1ccc(F)cc1 14001753 NAVXIVMADDWGEM-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB O=C1NC(=O)/C(=C/c2ccccc2F)S1 17028451 HWSHSFNYTZXIGL-YVMONPNESA-N 223.228 2.150 0 40 BEAB CC12CCC(CC1)C(C)(C)N[C@@H](N)S2 19319455 UDKIVQHZRWSEDP-INWMGODYSA-N 214.378 2.293 0 40 BEAB COC[C@@H](C)NCc1ccccc1Cl 19904327 RTLDKPIWHYVMQN-SECBINFHSA-N 213.708 2.465 0 40 BEAB O=C(O)c1ccccc1OC[C@H]1CCCCO1 20080563 SHEUEBYUHDTOKH-SNVBAGLBSA-N 236.267 2.333 0 40 BEAB CC(C)(C)OC(=O)Cc1cccc(N)c1 20154990 SCZSWYDHGXBSOV-UHFFFAOYSA-N 207.273 2.153 0 40 BEAB in-vitro Cc1ccc(Oc2ncccc2C(=O)O)cn1 21948215 QUIUMNCOKVAQER-UHFFFAOYSA-N 230.223 2.276 0 40 BEAB Cc1cccc([C@@H](CN)N2C[C@H](C)O[C@H](C)C2)c1 22214804 CLNKIICQKRMIRN-VNHYZAJKSA-N 248.370 2.104 0 40 BEAB CC(C)(C)OC(=O)NC1CCN(C2CC2)CC1 31829543 QHPWESLNMUXZMX-UHFFFAOYSA-N 240.347 2.138 0 40 BEAB CNS(=O)(=O)c1ccccc1-c1ccccc1 32755074 PZJGGOCORIRXBR-UHFFFAOYSA-N 247.319 2.262 0 40 BEAB O=C(NCC1CCCC1)c1cccnc1 36112756 CGRNFBMOUZPAFH-UHFFFAOYSA-N 204.273 2.002 0 40 BEAB Cn1nccc1CNCCC1=CCCCC1 36901146 KCOSPWNSIXIPSI-UHFFFAOYSA-N 219.332 2.400 0 40 BEAB CN(C(=O)COCC(F)(F)F)c1ccccc1 40533829 PLIGIBNFJSONQJ-UHFFFAOYSA-N 247.216 2.228 0 40 BEAB CC(C)c1ccc(C[C@@H](C(=O)O)N(C)C)cc1 41265856 VPIMCZFKFFNXTO-ZDUSSCGKSA-N 235.327 2.367 0 40 BEAB O=C(O)c1cnn(-c2ccc3ccccc3n2)c1 43299385 QSEDUWIDAWSDLJ-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB Cc1nn(Cc2ccccc2)c2cn[nH]c12 45921156 AVBHAMXJAMBAFM-UHFFFAOYSA-N 212.256 2.116 0 40 BEAB in-vitro CC(C)(C)[C@H]1CCCC[C@H]1NS(C)(=O)=O 46801570 NPEKXVTWBDQQLV-VHSXEESVSA-N 233.377 2.141 0 40 BEAB NC(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21 60061544 SKWDOQRRLDLDNU-CQSZACIVSA-N 244.338 2.014 0 40 BEAB C[C@@H](NN)c1ccc(F)c(Br)c1 61689240 QNEIHOKLGNQKSN-RXMQYKEDSA-N 233.084 2.113 0 40 BEAB Nc1nc(-c2ccccn2)cc(-c2ccco2)n1 62710308 PHODDLFWMJMOQS-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB COc1ccc(OC)c(-c2cncc(O)c2)c1 65339349 CKKWKCMRLUYCDZ-UHFFFAOYSA-N 231.251 2.471 0 40 BEAB CCCCNCCNCc1ccccc1 66184120 VPGBCOLYZXVUJU-UHFFFAOYSA-N 206.333 2.166 0 40 BEAB CCNc1nc(SCCO)nc2ccccc12 69452934 YKBQKBMNROSDHO-UHFFFAOYSA-N 249.339 2.146 0 40 BEAB Cc1ccc(C(=O)N2C[C@H](C)N[C@H](C)C2)c(C)c1 70075822 SVWZBLKGFIOGCX-BETUJISGSA-N 246.354 2.126 0 40 BEAB Cc1ccc2oc(C(=O)N(C)C)cc2c1 70263945 JTZICDIOYPRMED-UHFFFAOYSA-N 203.241 2.443 0 40 BEAB Cc1nc2c(C)cccn2c1C(=O)N1CCCC1 71468507 HTCFIMODLXKOFP-UHFFFAOYSA-N 243.310 2.187 0 40 BEAB CN(C(=O)CSc1ncc[nH]1)c1ccccc1 79003940 YHZIPBNSZFACDV-UHFFFAOYSA-N 247.323 2.165 0 40 BEAB Cn1nc(C2CCNCC2)c2cc(F)ccc21 79033411 FXKACEZAVFYQDH-UHFFFAOYSA-N 233.290 2.179 0 40 BEAB O=C(c1cccc2cc[nH]c12)N1CCCC1 82300710 FHIRABLKIAARAL-UHFFFAOYSA-N 214.268 2.404 0 40 BEAB COC(=O)c1ccc(O)c(-c2cscn2)c1 85390073 AUPNSYSQPMMBHR-UHFFFAOYSA-N 235.264 2.302 0 40 BEAB Cc1nsc(N2CCc3sccc3C2)n1 89721404 OYTBJCDDIYLHFM-UHFFFAOYSA-N 237.353 2.471 0 40 BEAB O=Cc1ccc(N2CCCCC2=O)cc1 90669188 HOPYBEJCFWHHNX-UHFFFAOYSA-N 203.241 2.016 0 40 BEAB Nc1cc(C(F)(F)F)cnc1NC1CC1 95096665 AUCJTNKXQZZITP-UHFFFAOYSA-N 217.194 2.257 0 40 BEAB C[C@@H](O)C1(c2ccccc2N(C)C)CC1 95739193 PPEVUKSTCMFTNY-SNVBAGLBSA-N 205.301 2.165 0 40 BEAB O[C@@H]1CCC[C@H]1Nc1ccncc1Cl 97104654 QIQBHGUBPIHVQU-NXEZZACHSA-N 212.680 2.060 0 40 BEAB O=C(Nc1ccccn1)[C@H]1C[C@@H]2CC[C@@H]1C2 102084868 ICUGUWHKSGQUFZ-MXWKQRLJSA-N 216.284 2.456 0 40 BEAB Cc1cccc(N(C)CCCn2ccnc2)n1 158063323 MJECPHTWJWPGHW-UHFFFAOYSA-N 230.315 2.113 0 40 BEAB Cc1nc(NN)c2c3c(sc2n1)CCCC3 78271 IAVYMPZJWVYGJY-UHFFFAOYSA-N 234.328 2.164 0 40 BEAB OCc1c(-c2ccccc2)nc2n1CCS2 1104918 JEMLMFTXXQAHGJ-UHFFFAOYSA-N 232.308 2.148 0 40 BEAB biogenic CCC1(CC)NC(=S)N(c2ccccc2)N1 1302120 MJCTZGPFYYZDSK-UHFFFAOYSA-N 235.356 2.402 0 40 BEAB CCCC(=O)OCCOc1ccccc1 1596143 OOZDRLVUFHSKIQ-UHFFFAOYSA-N 208.257 2.409 0 40 BEAB CCCC1(c2ccccc2)CNC(=O)NC1 1751901 FRILZTDBWIGTHA-UHFFFAOYSA-N 218.300 2.037 0 40 BEAB O=C1c2ccccc2N[C@H]2CCCCCN12 3645792 KNPFCIQCLDTMEY-GFCCVEGCSA-N 216.284 2.454 0 40 BEAB Cc1nc(Cl)nc2c1ncn2C(C)C 4243292 JSCNEGBFMQTSPQ-UHFFFAOYSA-N 210.668 2.369 0 40 BEAB CCOC(=O)c1sc(NC(C)C)nc1C 4294235 UBPBGCZFCHQGBW-UHFFFAOYSA-N 228.317 2.449 0 40 BEAB O=C(c1cccc(Cl)c1)n1cccn1 6331043 COLMYRVYHVKEEX-UHFFFAOYSA-N 206.632 2.225 0 40 BEAB CC[C@H](C)NC(=O)c1cccnc1SC 8267808 GATYYXWOAKWESC-QMMMGPOBSA-N 224.329 2.332 0 40 BEAB Nc1c(-c2cccc(Cl)c2)cnc2ncnn12 8730797 VKKUITOPVVFLEE-UHFFFAOYSA-N 245.673 2.027 0 40 BEAB CCOc1ccc(NC(=O)c2csnn2)cc1 9250913 RBXVBKZXLLXQOC-UHFFFAOYSA-N 249.295 2.189 0 40 BEAB Cc1nc(C)c(-c2nnc(S)o2)s1 14248121 PKPQBNRJCZXHIG-UHFFFAOYSA-N 213.287 2.099 0 40 BEAB in-vitro COc1cccc(NC(=O)CNC(C)(C)C)c1 16473487 HTKLCTGCRXWLHI-UHFFFAOYSA-N 236.315 2.022 0 40 BEAB CC1CCC(OCCCC(=O)O)CC1 19429399 BYCOZERDGLJZIQ-UHFFFAOYSA-N 200.278 2.447 0 40 BEAB COc1ccc(NC(=O)C2CCC2)c(N)c1 20157221 RGMXORQKJKNJLY-UHFFFAOYSA-N 220.272 2.016 0 40 BEAB CN(C)[C@H](CN)c1ccc(OC(F)(F)F)cc1 22220653 TVGWGARVOMTGOM-SNVBAGLBSA-N 248.248 2.147 0 40 BEAB CCN(CC)c1ccc2c(c1)OCC2=O 32224241 TXHWKXWJMVVPTG-UHFFFAOYSA-N 205.257 2.108 0 40 BEAB C[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 32668124 WFGRONVVJDCEIK-CYBMUJFWSA-N 238.375 2.121 0 40 BEAB Cc1nc(C)c(C(=O)Nc2ccncc2)s1 32726403 WCZGOICNCYKACA-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C[C@@H]1C[C@@H](C)CN([C@@H](C(N)=O)c2ccccc2)C1 32865940 FJKQDJPBSGECLK-YRGRVCCFSA-N 246.354 2.191 0 40 BEAB Cc1nc(-c2cccnc2)sc1C=O 34936271 KHHZRQVJLBGSNM-UHFFFAOYSA-N 204.254 2.326 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1N 36379511 LXUOCDHGKNYESJ-ZJUUUORDSA-N 228.336 2.171 0 40 BEAB COC(=O)C(Cl)(Cl)c1ccccc1 36405297 GDAHHMVRQKNSSZ-UHFFFAOYSA-N 219.067 2.490 0 40 BEAB CC[C@H]1CCCCN1CC1CCNCC1 37083508 YMMDTACRTPLXLJ-ZDUSSCGKSA-N 210.365 2.251 0 40 BEAB CCC(=O)c1ccc(-n2cccn2)cc1 38350748 UNOPAXZCGUOULN-UHFFFAOYSA-N 200.241 2.465 0 40 BEAB Cc1cc(C)cc(CN2CCOCC2)c1 40465715 PRMNXQOPWXJFHJ-UHFFFAOYSA-N 205.301 2.136 0 40 BEAB COc1ccc([C@H](O)CNCC(C)(C)C)cc1 40493374 VRXZEZKFNQWBQL-CYBMUJFWSA-N 237.343 2.364 0 40 BEAB CCCNC(=O)C(=O)Nc1ccccc1C(C)C 42646344 COANYRCJLXFDJO-UHFFFAOYSA-N 248.326 2.275 0 40 BEAB Cc1ccc(-c2[nH]nc(C)c2CC(=O)O)cc1 44901406 IVKUROUAMFNIQW-UHFFFAOYSA-N 230.267 2.321 0 40 BEAB Nc1cccc(OCC2CCOCC2)c1 52170992 HVZQKDPASDKATD-UHFFFAOYSA-N 207.273 2.074 0 40 BEAB COC(=O)c1cc(C)cc(Cl)c1OC 57339126 XEKYTHIERLZDTJ-UHFFFAOYSA-N 214.648 2.444 0 40 BEAB Cc1ccc(CN)c(Br)c1 57937780 CUAWKONXRGUEIR-UHFFFAOYSA-N 200.079 2.216 0 40 BEAB CSC1=N[C@H](C)C[C@H](O)N1c1ccccc1 59366416 PUNFJHGYHPNAMG-KOLCDFICSA-N 236.340 2.323 0 40 BEAB COc1ccc(CCCC(=O)NC2CC2)cc1 61341995 OVYQFDCXQDVVSE-UHFFFAOYSA-N 233.311 2.297 0 40 BEAB COC(=O)c1oc(CN2CCCCC2)cc1C 65516391 YJFNRFJCUNNKKD-UHFFFAOYSA-N 237.299 2.361 0 40 BEAB CC(C)CC(=O)N1CCCc2ncccc21 69378367 FXUHCAXHLBHQGJ-UHFFFAOYSA-N 218.300 2.407 0 40 BEAB c1ccc2oc(N3CCSC3)nc2c1 69663418 PJZQDBZVLRGJOD-UHFFFAOYSA-N 206.270 2.339 0 40 BEAB C[C@@H]1Cc2cc(Br)ccc2CN1 70653032 RMWFLRDIGQIIEJ-SSDOTTSWSA-N 226.117 2.483 0 40 BEAB in-vitro C[C@H](c1ccco1)N(C)C(=O)C1CCOCC1 71867151 HQNWXPVWYMPIRO-SNVBAGLBSA-N 237.299 2.226 0 40 BEAB CCn1nc(C)c(Br)c1CN(C)C 72220840 DNHBFAQNULILJI-UHFFFAOYSA-N 246.152 2.036 0 40 BEAB O=C(Nc1cnoc1)c1cc(-c2ccco2)on1 75170854 PPNGDUYZIFBTHT-UHFFFAOYSA-N 245.194 2.175 0 40 BEAB O=C(Oc1ccc2cn[nH]c2c1)c1ccco1 79064946 DFXHOCWDEPAZHG-UHFFFAOYSA-N 228.207 2.375 0 40 BEAB COc1cc(C)c2[nH]c(C(=O)O)c(C)c2c1 82597638 WYOLVXSKXCAACM-UHFFFAOYSA-N 219.240 2.492 0 40 BEAB O=C(O)c1coc(-c2ccccc2)c1C(=O)O 85385840 PTEUSHMOGXTIIZ-UHFFFAOYSA-N 232.191 2.343 0 40 BEAB Cc1nn(CCF)c(C)c1Br 87776866 MMXWALCKQHQPFH-UHFFFAOYSA-N 221.073 2.232 0 40 BEAB Cn1cc(OCc2ccc(F)cc2)cn1 89756574 LDXUGPUXUKEFGL-UHFFFAOYSA-N 206.220 2.138 0 40 BEAB CC[C@H](NC1CCSCC1)[C@H]1CCCO1 90858828 KZZQTSGQTMSMCD-NWDGAFQWSA-N 229.389 2.429 0 40 BEAB CCSCCSc1nnc(C)n1CC 95960316 XJATXXUZCIBFKA-UHFFFAOYSA-N 231.390 2.452 0 40 BEAB CC(C)(C)CNC(=O)CC[C@H]1CCCOC1 95963432 UETSHTRXWPBBDU-LLVKDONJSA-N 227.348 2.356 0 40 BEAB CS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 96510110 DSGGSQLUTHOFJP-NXEZZACHSA-N 230.716 2.241 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366267 ONOBKWFGSCHVER-NRUUGDAUSA-N 224.300 2.191 0 40 BEAB COCC(=O)c1ccc(Br)cc1F 166080406 NHLOPPOSDHQGPZ-UHFFFAOYSA-N 247.063 2.417 0 40 BEAB COc1cccc(OC)c1-c1ccnn1C 219704733 SEKFQUYLJUMIAA-UHFFFAOYSA-N 218.256 2.104 0 40 BEAB COCOc1cc(F)c([Si](C)(C)C)c(F)c1 219796267 ZSCYTYCBEFMQIU-UHFFFAOYSA-N 246.329 2.493 0 40 BEAB COC1CCN(Cc2ccsc2)CC1 271046565 RIQLJQQSKVTJRK-UHFFFAOYSA-N 211.330 2.359 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]2(CO2)C(C)(C)C1 390822167 NXYFKJCZVXPERN-ZDUSSCGKSA-N 241.331 2.422 0 40 BEAB O=C(c1cccc2[nH]ncc12)C(F)(F)F 1504244744 DWJNDFAWMIMDFP-UHFFFAOYSA-N 214.146 2.308 0 40 BEAB O=C1c2ccc(F)cc2C(=O)N1c1cccnc1 246846 BHOQDBKPOVZVDK-UHFFFAOYSA-N 242.209 2.021 0 40 BEAB CCCOC(=O)C(Cl)(Cl)Cl 1682284 QWWBZHDIGCDTLY-UHFFFAOYSA-N 205.468 2.310 0 40 BEAB CCCCCCOC[C@@H](O)CN(CC)CC 1785046 OBPCRGNMWTVSSI-ZDUSSCGKSA-N 231.380 2.286 0 40 BEAB CCNC(=S)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 2099567 FWWZFUCBOADTRX-LDYMZIIASA-N 249.383 2.230 0 40 BEAB biogenic CSc1nnc(-c2ccc(F)cc2)n1C 2383066 SYFJFFXWGOBEDF-UHFFFAOYSA-N 223.276 2.343 0 40 BEAB O=C(O)/C=C/c1ccc(O)c(Br)c1 2504974 HOZXBZABAJSGDX-DUXPYHPUSA-N 243.056 2.253 0 40 BEAB in-vitro COCc1cc(C)nc2scc(N)c12 3164635 GLSKGXINUDDRII-UHFFFAOYSA-N 208.286 2.333 0 40 BEAB COc1ccccc1OCc1csc(N)n1 3885559 DTPRZLWFPUQMST-UHFFFAOYSA-N 236.296 2.313 0 40 BEAB C[C@H]1CN(C(=O)n2ccnc2)c2ccccc2O1 6751617 JTILRCTUZDOOFC-JTQLQIEISA-N 243.266 2.139 0 40 BEAB CC(C)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 8502391 OCBXXFBQDKYXHA-AWEZNQCLSA-N 246.310 2.110 0 40 BEAB COC(=O)c1ccccc1C1O[C@@H](C)[C@@H](C)O1 12402987 BMVDTVSDUHVMLX-PHXKMMTBSA-N 236.267 2.296 0 40 BEAB CC(C)Cn1c(=S)[nH]c2ncccc2c1=O 12505290 BVQXDHCDCMQKHQ-UHFFFAOYSA-N 235.312 2.110 0 40 BEAB CNC(=O)c1ccccc1NC(=O)CC(C)C 12921848 ZRUOJBLGLSHVJI-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB O=C(NCCc1ccc(F)cc1)c1ccoc1 16640408 FYWVLLJVAPHEGM-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB c1ccc2c(c1)CCN2C[C@@H]1CCCCN1 19432494 UBKQHQUWTRMBHE-ZDUSSCGKSA-N 216.328 2.191 0 40 BEAB Cn1cc(CNCCC2=CCCCC2)cn1 20093752 TZGIOUORZBUWHS-UHFFFAOYSA-N 219.332 2.400 0 40 BEAB CCCCNC(=O)c1cnn(-c2ccccc2)c1 26939346 YEWAJDXJKQXSQA-UHFFFAOYSA-N 243.310 2.402 0 40 BEAB NCCOCc1ccc(Cl)c(Cl)c1 28522046 JZJDICZTVZMHES-UHFFFAOYSA-N 220.099 2.469 0 40 BEAB N[C@@H]1C[C@H]1c1cccc(Br)c1 32012642 CFVKOAMEQVZCAM-DTWKUNHWSA-N 212.090 2.264 0 40 BEAB Cc1ccccc1[C@H]1CCCN1CCN 32553279 CEDPLZOCGRVWOY-CYBMUJFWSA-N 204.317 2.091 0 40 BEAB Cc1ccc(C(C)C)c(O[C@@H](C)C(N)=O)c1 33433532 MRCQWUYCKMYELL-JTQLQIEISA-N 221.300 2.371 0 40 BEAB c1ccc2sc(NC3CCNCC3)nc2c1 34320603 WUUOUFAOQYLHQK-UHFFFAOYSA-N 233.340 2.460 0 40 BEAB C[C@@]1(CC(=O)O)C=Cc2ccccc2O1 34478144 VVRCAEMWFDOQJA-LBPRGKRZSA-N 204.225 2.326 0 40 BEAB O=Cc1c[nH]nc1-c1c(F)cccc1F 34956918 ZYJVTZVRZMCKMI-UHFFFAOYSA-N 208.167 2.167 0 40 BEAB in-vitro Fc1cccc(-c2noc([C@H]3CCCN3)n2)c1 35660495 HCAVFZXIOHWWFK-SNVBAGLBSA-N 233.246 2.300 0 40 BEAB O=C(O)c1cnn(-c2ccccc2Cl)c1 37295141 OUBSTFOBVYTGNO-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro O=C(c1ccccn1)N(Cc1ccco1)C1CC1 40060341 VZEKTOAZQYWVKL-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB COCCN(Cc1cccs1)C(=O)C(C)C 40473036 YLIJZXFPCAHCEW-UHFFFAOYSA-N 241.356 2.379 0 40 BEAB C[C@@H](SC(F)(F)F)C(=O)NCC1CC1 40514066 HZXSHVCAPXIBQZ-RXMQYKEDSA-N 227.251 2.154 0 40 BEAB CC(C)(C)CNC1CCN(C(=O)C2CC2)CC1 41120776 FPVIDNICYLRUSA-UHFFFAOYSA-N 238.375 2.023 0 40 BEAB CC[C@H](C)[C@H](C)Nc1ncnc2c1cnn2C 42417217 VRGQQBLIBHVYMT-IUCAKERBSA-N 233.319 2.210 0 40 BEAB COc1ccc(OC[C@H]2CCNC2)c(Cl)c1 42770946 CBUKTTLEGAOJPG-VIFPVBQESA-N 241.718 2.337 0 40 BEAB O[C@@]1(C(F)(F)F)CCc2ccccc2C1 43367989 SNJAOOHYPMEKLH-JTQLQIEISA-N 216.202 2.469 0 40 BEAB C[C@H](NC(=O)OCC(F)(F)F)c1ccccn1 44980722 VVTCRTCLEHAXSX-ZETCQYMHSA-N 248.204 2.431 0 40 BEAB Cc1ccc(C)c(C[C@@H](C(=O)O)N2CCCC2)c1 57536418 HAQDUMFJZJBDNW-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB Cc1ccc(CN(C)CC(=O)NC(C)C)c(C)c1 58062889 ZGRZWHVVLFKJLG-UHFFFAOYSA-N 248.370 2.260 0 40 BEAB Nc1cc(Cc2ccc3c(c2)OCCCO3)no1 62710592 OTJAFRKVSUOJIC-UHFFFAOYSA-N 246.266 2.009 0 40 BEAB Cc1cc(C(=O)O)c2c(CC(C)C)noc2n1 62710616 IIXTUBIWZNUKHH-UHFFFAOYSA-N 234.255 2.428 0 40 BEAB CC(C)c1ccccc1N1C[C@H](C(=O)O)C[C@@H]1O 64038011 WUHLHTXBWLRYKD-MFKMUULPSA-N 249.310 2.039 0 40 BEAB N[C@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1 70460110 FXJHEPSVKMCFDN-LBPRGKRZSA-N 242.326 2.004 0 40 BEAB CN1CCCC[C@@H]1c1ccc(-n2ccnc2)nc1 72386559 RGXXBCYZOKBQQT-CYBMUJFWSA-N 242.326 2.424 0 40 BEAB Cc1ccc(-c2nn3cnnc3s2)c(C)c1 73638550 QREIZURSERXMBZ-UHFFFAOYSA-N 230.296 2.470 0 40 BEAB O=C(O)C(=O)c1cc(Cl)cc(Cl)c1 75865895 MMCOTMRRXSOFLF-UHFFFAOYSA-N 219.023 2.261 0 40 BEAB c1ccc(COc2ccc3c(n2)CCN3)nc1 76914393 YLSNSALITSKOHY-UHFFFAOYSA-N 227.267 2.024 0 40 BEAB Cc1cc(C=O)ccc1I 79720477 MSOMUMGPCHBUKG-UHFFFAOYSA-N 246.047 2.412 0 40 BEAB Cc1ccnc2ccc(CC(=O)O)cc12 82770120 HNDDCZUXZGDMOX-UHFFFAOYSA-N 201.225 2.170 0 40 BEAB O=C(c1ccc2sccc2c1)N1CCOCC1 89195335 VMXJXGSPJRNMQX-UHFFFAOYSA-N 247.319 2.374 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)CCOCc1ccccc1 89920367 HZJACYYELBSWER-GXTWGEPZSA-N 247.338 2.318 0 40 BEAB Cc1nc(C)c(CSc2cn[nH]n2)s1 95411478 HQBBEULEYGWAOY-UHFFFAOYSA-N 226.330 2.170 0 40 BEAB Cn1nc(CNC(=O)C2CCCC2)cc1C1CC1 96099268 GYGJWZAHHXTTKY-UHFFFAOYSA-N 247.342 2.104 0 40 BEAB Ic1cnn(C2CCC2)c1 96286976 SDORWWNUKLHEGH-UHFFFAOYSA-N 248.067 2.213 0 40 BEAB CCOC(CN1C[C@H]2CC=CC[C@H]2C1)OCC 97161649 FQVVROVDNSRBAC-BETUJISGSA-N 239.359 2.284 0 40 BEAB COc1cc(F)ccc1-c1ccnc(N)c1 98175307 STHOIJJMTQMOLD-UHFFFAOYSA-N 218.231 2.479 0 40 BEAB CCC1=C[C@@H](c2ccccc2)N2NC=NC2=N1 100522426 BRCOZBAVMNZGPF-LBPRGKRZSA-N 226.283 2.240 0 40 BEAB C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccn1 102267407 RZMSCKRNXLDYMH-MROQNXINSA-N 242.322 2.471 0 40 BEAB O=C(O)CCCc1cc(F)cc(F)c1 106877760 FMZHTBFPHVJOKY-UHFFFAOYSA-N 200.184 2.372 0 40 BEAB CC(=O)c1cccnc1NC(=O)C(C)(C)C 116567708 VSQIBTHKSDKEPR-UHFFFAOYSA-N 220.272 2.269 0 40 BEAB CC(C)(C)NC(=O)C1(c2ccc(N)cc2)CC1 125940281 KUQHKWFPBAXUSJ-UHFFFAOYSA-N 232.327 2.215 0 40 BEAB C[Si](C)(COC(N)=O)Cc1ccccc1 195760991 CWVZGJORVTZXFW-UHFFFAOYSA-N 223.348 2.111 0 40 BEAB CN(CC[C@H]1CCCNC1)C(=O)OC(C)(C)C 199825879 ITIYZLUUEXVVJM-LLVKDONJSA-N 242.363 2.243 0 40 BEAB CCOc1nn(C)c2cc(C(C)=O)ccc12 225773261 VKPPIOVCNYINKQ-UHFFFAOYSA-N 218.256 2.175 0 40 BEAB CCCCCNCc1cn(CC)nc1C 256049939 CAEVFGYEUQULTE-UHFFFAOYSA-N 209.337 2.491 0 40 BEAB CCCn1nc(C)cc1CNc1cnn(C)c1C 256050669 GBHWTGRTSVJSQH-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB Cc1cccnc1OCC1CCOCC1 585655112 RXFGLKKAYFSDFM-UHFFFAOYSA-N 207.273 2.195 0 40 BEAB Cc1cnc(OC2CCN(CC3CC3)CC2)nc1 653800223 JZEDZKLBAQDWRS-UHFFFAOYSA-N 247.342 2.038 0 40 BEAB Oc1ncncc1Oc1cccc(F)c1 685936183 JCVHYGJGFGGOSK-UHFFFAOYSA-N 206.176 2.114 0 40 BEAB CN(C)c1nc2cccc(F)c2cc1C=O 685937584 SJMREKVQZWTFKB-UHFFFAOYSA-N 218.231 2.252 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)c1ncccn1 735876949 SLAKJQJNBGOSGS-JTQLQIEISA-N 239.278 2.068 0 40 BEAB O=C([C@@H]1CCCSC1)N1Cc2ccncc2C1 848383505 VEZHRXAQDMNXPS-LLVKDONJSA-N 248.351 2.067 0 40 BEAB C[C@@H]1CCCCN1c1cc(-n2cccn2)ncn1 1888853933 BDSXUHBWQXRKBD-LLVKDONJSA-N 243.314 2.041 0 40 BEAB CC(C)(C)OC(=O)NC1CN(c2ccccc2)C1 1889099152 WEHZMEAQSJOPBV-UHFFFAOYSA-N 248.326 2.400 0 40 BEAB Cn1cnc(-c2ccc(F)cc2Cl)n1 2362801703 NOMOSROTWPDNFM-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB CCS(=O)(=O)c1nc2ccccc2s1 39828 ZYGPCLHWVYJMPA-UHFFFAOYSA-N 227.310 2.090 0 40 BEAB CCN1C(=O)[C@@](F)(CC)C(=O)c2ccccc21 344058 SKAVWCIZFKTYDC-CYBMUJFWSA-N 235.258 2.354 0 40 BEAB CCOC(=O)Cn1ccc2ccccc21 582787 DKMSTBXXTNPNPU-UHFFFAOYSA-N 203.241 2.204 0 40 BEAB CC(=O)C[C@@]1(O)C(=O)c2cccc3cccc1c23 2044746 ZPQXEABZGWHBCR-HNNXBMFYSA-N 240.258 2.203 0 40 BEAB Cc1cnc(NC(=O)COc2ccccc2)s1 3555844 RQYMOHHUJIALMX-UHFFFAOYSA-N 248.307 2.469 0 40 BEAB O=P(O)(O)OC12CC3CC(CC(C3)C1)C2 4530637 QVQOTPZLFNCCIR-UHFFFAOYSA-N 232.216 2.065 0 40 BEAB Cc1cc(OCC(C)C)ccc1S(=O)(=O)O 4543474 BEMLEJFIJIWZBD-UHFFFAOYSA-N 244.312 2.277 0 40 BEAB COc1ccc2c(c1)C(=O)[C@@H](n1ccnc1)CC2 5400595 YJKMDICXRKMSFW-ZDUSSCGKSA-N 242.278 2.262 0 40 BEAB CCOc1ccc2[nH]c(C(=O)O)c(C=O)c2c1 8325013 GSHVQBDSKSXUII-UHFFFAOYSA-N 233.223 2.077 0 40 BEAB Clc1ccc(-c2n[nH]cc2-n2cncn2)cc1 13545046 CNXNXPQJIKJAGY-UHFFFAOYSA-N 245.673 2.311 0 40 BEAB COc1ccccc1OCC1CCNCC1 14631423 CCZZNPBXUZCPEZ-UHFFFAOYSA-N 221.300 2.074 0 40 BEAB COc1cccc([C@H](C(=O)O)N2CCCCC2)c1 16718821 VMXXUGIFXZDINA-CYBMUJFWSA-N 249.310 2.307 0 40 BEAB Cc1ccc(C)c([C@@H]2CN[C@@H](C)CO2)c1 36986460 UPQRMTDTWIYURA-AAEUAGOBSA-N 205.301 2.353 0 40 BEAB in-vitro C=CC(=O)N[C@@H](C)c1c(F)cccc1F 37789947 VOSGBVJZCRCOIF-ZETCQYMHSA-N 211.211 2.328 0 40 BEAB C[C@@H](N)[C@H](c1ccccc1)N1CCCC1 38338641 CNACIQJCVBJSFL-DGCLKSJQSA-N 204.317 2.171 0 40 BEAB CCN(CC)C(=O)c1cccc(Cl)n1 51072524 FGCMQANIPVXFJM-UHFFFAOYSA-N 212.680 2.217 0 40 BEAB CCOc1ccc(-c2ccnc(N)n2)cc1 52811994 ZVNORKVKJFLZLR-UHFFFAOYSA-N 215.256 2.125 0 40 BEAB O=C1N[C@@H](c2ccco2)Sc2ncccc21 59490076 ANYJGDUXLCDTEK-LLVKDONJSA-N 232.264 2.209 0 40 BEAB CCOc1cccc2c1O[C@@H](C)C(=O)N(CC)C2 64542507 OBCWWCWCUCWMSU-JTQLQIEISA-N 249.310 2.215 0 40 BEAB O=C(O)COc1cc2ccccc2cc1O 65742961 OOGCFMROXXUWPZ-UHFFFAOYSA-N 218.208 2.009 0 40 BEAB in-vitro Cc1nc(C(=O)Nc2ccc(F)cc2)c[nH]1 69618391 OKPQZJSGYJMPBF-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB Cc1ccc([C@@H]2OCCC[C@H]2CN)cc1 70621994 GIHZZIZFMMONAF-STQMWFEESA-N 205.301 2.421 0 40 BEAB in-vitro Cc1cc(CN2CCC[C@H]2c2noc(C)n2)no1 75573193 VBXCJTZFYRMBFP-NSHDSACASA-N 248.286 2.012 0 40 BEAB COC(=O)c1ccc(C(=O)OCC2CC2)s1 78411263 SPSZGQBNGXFBFQ-UHFFFAOYSA-N 240.280 2.102 0 40 BEAB CCc1cnc([C@H](C)NCc2ccn[nH]2)s1 79020359 MXEWGUAYJZFMPF-QMMMGPOBSA-N 236.344 2.279 0 40 BEAB CC(C)c1nsc(N2C[C@@H](C)O[C@H](C)C2)n1 80761454 CVRHXKPGAQDJNR-RKDXNWHRSA-N 241.360 2.275 0 40 BEAB Cc1nc(COC(=O)C[C@H](C)CC(C)C)no1 84281369 XJULOTKFAKWCBX-SECBINFHSA-N 240.303 2.494 0 40 BEAB CCOC(=O)c1cc2cnc(Cl)cc2[nH]1 95919917 PEKJGVITUPPRET-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB Cc1nc(CSc2ncc[nH]2)cs1 98013840 ONWCIFBDZPVJHK-UHFFFAOYSA-N 211.315 2.467 0 40 BEAB CN1C[C@H](N)[C@H](c2ccc(Cl)c(Cl)c2)C1 217661465 UIWXGHGHPNUHNF-KWQFWETISA-N 245.153 2.350 0 40 BEAB COc1ccc([C@H](C)N[C@H]2CCC[C@H]2N)cc1 242495502 GFXBIRRVJPEUAA-GDLCADMTSA-N 234.343 2.226 0 40 BEAB Cc1cc(N2CCN(C3CCC3)CC2)ccn1 274742030 AIMAJHWXVSOIJF-UHFFFAOYSA-N 231.343 2.065 0 40 BEAB Cn1cc(CN2CCc3cc(F)ccc32)cn1 330032569 PFYBRQVCRPLCBL-UHFFFAOYSA-N 231.274 2.122 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]3O[C@@H]3C[C@H]2C1 521399244 FQAOKXBZPVNBJE-CKIJPRSSSA-N 239.315 2.031 0 40 BEAB Cc1nc([C@@]2(C)CCCN(C)C2)cc2cncn12 585261104 LLGNLBKMUKLEPT-AWEZNQCLSA-N 244.342 2.021 0 40 BEAB Clc1cccnc1N1CC(Cn2cccn2)C1 1775965836 LPKVFKWUWGJIIT-UHFFFAOYSA-N 248.717 2.068 0 40 BEAB Cc1ccc(N2C(=O)[C@H]3CCCN3C2=S)cc1 217514 CAJVJVBMUUICPN-LLVKDONJSA-N 246.335 2.091 0 40 BEAB O=C(Oc1ccc(Cl)cc1)N1CCOCC1 325101 ZQDIQOWSBXBLGH-UHFFFAOYSA-N 241.674 2.171 0 40 BEAB Cc1cccc(NC(=O)c2cnsn2)c1C 935406 YRLGVQQHEPCBTD-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Oc1nc(-c2ccccc2)c[n+]2ccccc12 984007 OAHCSIJNQDNJIJ-UHFFFAOYSA-O 223.255 2.193 0 40 BEAB Cc1ccc(CNC(=O)c2ccc[nH]2)cc1 1404028 QNGNTDZXTCCSEP-UHFFFAOYSA-N 214.268 2.253 0 40 BEAB N[C@H](Cc1ccccc1)c1nccs1 1627665 ADXGZQRJIYRSGK-SNVBAGLBSA-N 204.298 2.386 0 40 BEAB CN1CCC2(CC1)COCc1ccccc12 1869813 LEPFMVWNSAYAHT-UHFFFAOYSA-N 217.312 2.180 0 40 BEAB CCOCCN(C=O)c1c(C)cccc1C 2272683 GOEJGANLWCQHEP-UHFFFAOYSA-N 221.300 2.303 0 40 BEAB O=C1OCCC/C1=C\c1ccc2c(c1)OCO2 4974756 HEQIRHGTZBKRNY-UXBLZVDNSA-N 232.235 2.136 0 40 BEAB CCOC(OCC)C(=O)Cc1ccccc1 5650706 LFYMGSKZVOVUKZ-UHFFFAOYSA-N 222.284 2.197 0 40 BEAB CCOC(=O)CC/C=C/[C@H]1COC(C)(C)O1 8700003 RRSJYUBUPNAAFL-STUBTGCMSA-N 228.288 2.037 0 40 BEAB COc1ccc2c(=O)c3ccoc3[nH]c2c1OC 8740327 PREIMPRRBOZNAY-UHFFFAOYSA-N 245.234 2.292 0 40 BEAB biogenic COc1ccc(C(=O)Nc2cccc(C)n2)cn1 8747516 IJZUUCJWHCZDMI-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cn1ncc2c(NC3CCCCCC3)ncnc21 9532000 VVHJDSGQBBQDLD-UHFFFAOYSA-N 245.330 2.498 0 40 BEAB Cc1cc(C(=O)Nc2ccn(C)n2)c(C)s1 12978149 OTULHZKGIARYCQ-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB CCc1cccc(NC(=S)NCCOC)c1 13789202 ZXGMIUFQPDVCIQ-UHFFFAOYSA-N 238.356 2.182 0 40 BEAB CCCC[C@H](CC(F)(F)F)C(O)O 14628468 ZAEIQOLUTRNIRG-ZCFIWIBFSA-N 200.200 2.056 0 40 BEAB COc1ccc(C2CCNCC2)cc1OC 14629026 JLSDYCZGSJHQSV-UHFFFAOYSA-N 221.300 2.171 0 40 BEAB CCNC(=O)[C@@H](CC)Oc1ccccc1C 19931995 GSUGPAATPFVWHB-LLVKDONJSA-N 221.300 2.289 0 40 BEAB CC1CCN(CCCNCc2cccnc2)CC1 20146242 PYQRLXZOQLHSEH-UHFFFAOYSA-N 247.386 2.293 0 40 BEAB Nc1cc(Cl)ccc1C(=O)N1CCCC1 20156127 CJFVHCYKPYDKIG-UHFFFAOYSA-N 224.691 2.158 0 40 BEAB in-vitro CCCCn1ncc(Cl)c1C(=O)O 20313823 YYJWVBYOXFPULG-UHFFFAOYSA-N 202.641 2.035 0 40 BEAB CCC[C@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 22122651 WEUHQCHOHUHRTR-OUAUKWLOSA-N 213.321 2.218 0 40 BEAB Cc1nn(C)c2c(Cl)nc(C(C)C)nc12 26467633 YHRMDYCTOBUEIB-UHFFFAOYSA-N 224.695 2.449 0 40 BEAB Cc1sc(-c2ccco2)nc1C(=O)N(C)C 30575824 LZBMFSVBFGFOOU-UHFFFAOYSA-N 236.296 2.413 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)n2ccnc2)[C@@H]1C 32628631 SYZSJULANIBEEQ-MXWKQRLJSA-N 221.304 2.266 0 40 BEAB Cc1ccc(C(=O)NCC2CC2)c(C)c1 32909803 CWWWKMLDSCIOIY-UHFFFAOYSA-N 203.285 2.443 0 40 BEAB CCOC(=O)c1cccn1Cc1ccccc1N 34478007 OPBIASRBPYNMMH-UHFFFAOYSA-N 244.294 2.295 0 40 BEAB Cc1cccc(-c2ccc(C(=O)O)o2)n1 34924649 KHWBJRCBQCONSQ-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB Nc1ccnn1-c1cccc(C(F)(F)F)c1 37245383 BWFGNKXQAXLSSM-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB CCn1ccnc1SCc1cc(C)no1 40034465 KETIBXUAQSLLRR-UHFFFAOYSA-N 223.301 2.492 0 40 BEAB Cn1nnnc1S[C@H]1CCCc2ccccc21 40114177 RKTLIHCAMPGNCJ-NSHDSACASA-N 246.339 2.380 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCCCCC1 42467300 IYDQKYHYRBBHEO-LBPRGKRZSA-N 227.348 2.450 0 40 BEAB COc1ncccc1NC(=O)CC(C)(C)C 47553892 LLJJMQYMDWFLFV-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB Cc1cc(CN(C)C(=O)CC(C)(C)C)no1 47665446 WSFYAHHGXDJJOY-UHFFFAOYSA-N 224.304 2.378 0 40 BEAB CC[C@@H](C)NC(=O)Nc1ccc(N(C)C)nc1 48092038 CJRCVBIPTAINQH-SECBINFHSA-N 236.319 2.068 0 40 BEAB CCc1ccc(Cc2nnc(S)[nH]2)cc1 48508634 AMLCNEXVRURGLP-UHFFFAOYSA-N 219.313 2.247 0 40 BEAB COc1ccc([C@H]2CCCN2C(C)=O)c(OC)c1 52955870 ZLTQVLFROICHMF-CYBMUJFWSA-N 249.310 2.387 0 40 BEAB CC(C)c1ccc(CN2C[C@H](CN)CC2=O)cc1 70493324 RRXDDBICOJKRSD-ZDUSSCGKSA-N 246.354 2.117 0 40 BEAB CCOC(=O)C[C@@H](C(C)C)N(CC)CC 70824211 WERXDZAZESUFLQ-NSHDSACASA-N 215.337 2.306 0 40 BEAB CCOC(=O)[C@@H]1CCCCN1c1ccccc1N 71257544 CMHGXMMGCCZKNH-ZDUSSCGKSA-N 248.326 2.191 0 40 BEAB O=C1CCc2c(O)ccc(Br)c21 71260656 RUUDIHNJAIWYIR-UHFFFAOYSA-N 227.057 2.284 0 40 BEAB CC(C)CC(=O)CNC(=O)c1ccccc1 72206815 YTSQYDLXHIBNFG-UHFFFAOYSA-N 219.284 2.032 0 40 BEAB CNc1ncc([C@H](N)c2ccccc2)cc1C 72222027 SODZQLXOGCIWCJ-CYBMUJFWSA-N 227.311 2.480 0 40 BEAB CC(C)CN1CC(c2n[nH]c3ncccc23)C1 72361126 ONJRFMRWWYCQHV-UHFFFAOYSA-N 230.315 2.013 0 40 BEAB CC(C)(C)C(=O)NC[C@@](C)(O)c1cccs1 75155802 RUUAKJAZMWDFOH-GFCCVEGCSA-N 241.356 2.118 0 40 BEAB CCOC(=O)C1(c2csc(C)n2)CC1 78404163 ZLFKEXZSKWNIAO-UHFFFAOYSA-N 211.286 2.046 0 40 BEAB Cn1c(C(F)F)nc2cc(C(=O)O)ccc21 82675446 HRZJHNXUTLDVKP-UHFFFAOYSA-N 226.182 2.209 0 40 BEAB in-vitro C[C@H](Oc1ccccc1C(N)=O)C(F)(F)F 84139729 IRSTUQFWAGUUKP-LURJTMIESA-N 233.189 2.115 0 40 BEAB O=C(NC[C@@H]1CO1)c1ccc(Cl)cc1Cl 95096874 IJUYRVYLXBFPMT-SSDOTTSWSA-N 246.093 2.122 0 40 BEAB CN(C)C(=O)Sc1cccc(C=O)c1 95347675 GPYGYQYUCJSPOI-UHFFFAOYSA-N 209.270 2.273 0 40 BEAB in-vitro COc1ccc([C@H](O)c2cccn2C)cc1F 95727792 IUDKEUQXRIWGNB-ZDUSSCGKSA-N 235.258 2.255 0 40 BEAB Cc1sc(N(C)C)nc1Br 95830057 FSFACAZJZFAYRM-UHFFFAOYSA-N 221.123 2.280 0 40 BEAB CN(Cc1ccncc1)[C@@H]1CCSC1 96485544 VZJLOXREWQLJST-LLVKDONJSA-N 208.330 2.019 0 40 BEAB Cc1cccc(-c2[nH]ccc2S(C)(=O)=O)c1 96532690 WETPPEZDINIOTG-UHFFFAOYSA-N 235.308 2.394 0 40 BEAB CCN(C)C(=O)CCN[C@H](C)c1ccc(C)o1 97111300 LVVDHDZPIMTZIK-LLVKDONJSA-N 238.331 2.107 0 40 BEAB CC(C)=CC/C=C1\CC[C@@H]2C(=O)NC(=O)[C@H]2C1 100244568 XPGHNXMVHVOVHW-AMYKANGRSA-N 233.311 2.342 0 40 BEAB C[C@H]1C[C@H](C)CN(c2nc(N)cs2)C1 103693823 ODHVKMGMWUBVOX-YUMQZZPRSA-N 211.334 2.208 0 40 BEAB CON(C)C(=O)c1ccccc1OC(F)(F)F 179935520 HDAJWQBHKBIWFE-UHFFFAOYSA-N 249.188 2.219 0 40 BEAB Cc1csc(CN(C)c2nc(C)cnc2C)n1 195563847 FZFPKZHVJZPVOL-UHFFFAOYSA-N 248.355 2.495 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 209156105 MXJROZHGXBUKBW-JGVFFNPUSA-N 203.257 2.211 0 40 BEAB COc1ccccc1N1CCN[C@@H]2CCC[C@@H]21 225716465 MRRFDVJNTZLNCG-NEPJUHHUSA-N 232.327 2.026 0 40 BEAB CC(C)(C)OC(=O)N1CCNc2cnccc21 256055264 ZZFSKWJDXARZQW-UHFFFAOYSA-N 235.287 2.249 0 40 BEAB Cc1c[nH]c([C@H]2CCCN2Cc2cccnc2)n1 257287748 PRJAOAVIIUGSJH-CYBMUJFWSA-N 242.326 2.450 0 40 BEAB Cc1nc2[nH]ncc2cc1Br 307304557 CFJGHKQYQZEXJG-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CC(C)C[C@H](C)CC(=O)N1CC[C@H](N)C[C@H]1C 521394651 VCDKJZNMVRTTMU-XQQFMLRXSA-N 240.391 2.397 0 40 BEAB Cc1cc(C(=O)N(C)C2(C)CCCC2)ncn1 562358439 PALUUEXMQZTIQT-UHFFFAOYSA-N 233.315 2.190 0 40 BEAB CN1CCOCCCCc2ccccc2OCC1 2037978338 QVVURGKADVBXKZ-UHFFFAOYSA-N 249.354 2.350 0 40 BEAB Cc1nn(Cc2ccccc2)c(C)c1CC(=O)O 795457 BYCNUIJLVUTOPG-UHFFFAOYSA-N 244.294 2.175 0 40 BEAB CC(=O)NC(=S)Nc1cc(C)cc(C)c1 1003710 DONCQOZJUBNHPC-UHFFFAOYSA-N 222.313 2.136 0 40 BEAB CC(=O)CSc1nnc(C)n1-c1ccccc1 1333008 WNYZUGYJFWUMAC-UHFFFAOYSA-N 247.323 2.257 0 40 BEAB O=C(O)Cc1nc(Cl)ccc1Cl 1557907 KFDPEKUWLJEGHI-UHFFFAOYSA-N 206.028 2.016 0 40 BEAB CCC[C@@]1(C)OC[C@H](CCCCO)O1 1671368 BULLPQFXXZMYPP-QWRGUYRKSA-N 202.294 2.081 0 40 BEAB COc1ccccc1NCc1ccnn1C 2536377 HUWQRDBLUCQZOM-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB CC(C)(C)NC[C@@H]1CO[C@@H](c2ccccc2)O1 3010047 IWFPJSASCSZFCH-CHWSQXEVSA-N 235.327 2.489 0 40 BEAB CCCCCC(=O)Nc1nnc(C)s1 3045098 UORYIBWIZZBUSL-UHFFFAOYSA-N 213.306 2.365 0 40 BEAB CCOC(=O)N[C@@H](OCC)c1ccccc1 4671482 LJNNZSRYFSUNMJ-NSHDSACASA-N 223.272 2.468 0 40 BEAB Cc1nnc(SC(=O)C(F)(F)F)s1 5669879 NARHIDCFBVXLEN-UHFFFAOYSA-N 228.220 2.028 0 40 BEAB O=C(O)/C=C1/CCCc2ccccc2[C@H]1O 6117211 UADPGHINQMWEAG-KJJQSCHISA-N 218.252 2.067 0 40 BEAB in-vitro COc1ccc([C@H](C)NC(=O)C2CC2)cc1F 7076290 SYGXWJBLZQSADD-QMMMGPOBSA-N 237.274 2.422 0 40 BEAB C[C@@H](Sc1ccccc1F)C(=O)N(C)C 12987307 VITLSTIHEYXQAK-MRVPVSSYSA-N 227.304 2.395 0 40 BEAB CCCCS(=O)(=O)N[C@H](C)c1ccccc1 13938119 AWQHLHWGFPWMMM-LLVKDONJSA-N 241.356 2.467 0 40 BEAB Nc1ccc(OC[C@@H]2CCCCO2)c(F)c1 14630639 RNQWPNNARUETMX-JTQLQIEISA-N 225.263 2.356 0 40 BEAB COCCn1c(-c2ccoc2C)n[nH]c1=S 16972321 ZLGDONZHFARIOC-UHFFFAOYSA-N 239.300 2.156 0 40 BEAB O=C(Nc1ccccc1O)c1ccoc1 22024283 ZPNQBVZLNASBTA-UHFFFAOYSA-N 203.197 2.238 0 40 BEAB CC[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 27338995 JUTJXYWUVVAZDK-ZETCQYMHSA-N 247.298 2.368 0 40 BEAB CCOc1ncccc1NC(=O)CC(C)C 27587545 RMARHYORKCNLTL-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB COC(=O)[C@]1(C)CCCc2ccccc21 34172410 WPQDZEYPGYMDAI-CYBMUJFWSA-N 204.269 2.454 0 40 BEAB in-vitro O[C@H]1CCC[C@H]1N1CCCc2ccccc21 37489604 QUKWNFUUTBVFCD-KGLIPLIRSA-N 217.312 2.353 0 40 BEAB CCn1c(SCCO)nc2ccccc21 39311558 ITJRQTIUNCEXNR-UHFFFAOYSA-N 222.313 2.141 0 40 BEAB CCc1cccc(C)c1NC(=O)N[C@H](C)CO 40525490 SSEBFDPRGGXPHA-SNVBAGLBSA-N 236.315 2.060 0 40 BEAB OCCc1ccc(NCc2ccncc2)cc1 40737916 FNDZSSIBVKIQOF-UHFFFAOYSA-N 228.295 2.229 0 40 BEAB CN(Cc1nc(-c2ccco2)no1)CC1CC1 52106372 MMYPYHPGJRDRPM-UHFFFAOYSA-N 233.271 2.171 0 40 BEAB CN[C@@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 53202244 XAACBXMQRQUNFS-CYBMUJFWSA-N 246.354 2.127 0 40 BEAB COc1ccc(C)cc1[C@H](O)c1ccccn1 55262813 LJKOBDOALNOJQD-AWEZNQCLSA-N 229.279 2.480 0 40 BEAB Cc1ccc(NC(=N)NC#N)cc1Cl 58836453 HJVBANOLNQMESE-UHFFFAOYSA-N 208.652 2.066 0 40 BEAB NC[C@]1(CO)C[C@H]1c1ccc(Cl)cc1Cl 62713466 RGVYVANDZZIXKK-ONGXEEELSA-N 246.137 2.418 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1cc(Cl)cc(Cl)c1 62713766 VNCYDWKHUUKZGP-MNOVXSKESA-N 246.137 2.418 0 40 BEAB CNc1ncc(CNCCC2=CCCCC2)cn1 62717486 MRBVHDIXJNRIEC-UHFFFAOYSA-N 246.358 2.498 0 40 BEAB CNc1cc(C)c([C@@H]2CCCN2C)cn1 72219025 KRQZAJVVAQLFEE-NSHDSACASA-N 205.305 2.198 0 40 BEAB COc1cc(Cn2cncn2)ccc1SC 78869087 BDGDHAPGLUKEDY-UHFFFAOYSA-N 235.312 2.057 0 40 BEAB Cc1[nH]ncc1CCCN[C@@H]1CCC[C@@H]1C 83391133 PAHRWGZBVBGBER-GXFFZTMASA-N 221.348 2.429 0 40 BEAB C[C@@H](Cc1ccoc1)NC(=O)c1ccoc1 84835332 BDURHRXQEMKCKT-VIFPVBQESA-N 219.240 2.234 0 40 BEAB Cc1c(Cl)cccc1C(=O)/C=C\C(=O)O 95727021 LRFOSMFSOWLQTM-WAYWQWQTSA-N 224.643 2.472 0 40 BEAB CC(C)n1nnnc1CSCc1ccccn1 96494696 IAAMFWOJBJYKLP-UHFFFAOYSA-N 249.343 2.082 0 40 BEAB Cc1nc(Cl)cc(-c2cn(C)nc2C)n1 96524152 GKBQGKRSQIUJMZ-UHFFFAOYSA-N 222.679 2.147 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1=NCCS1 101734379 SLASPNXQIQKRCL-LPEHRKFASA-N 238.356 2.032 0 40 BEAB CC1(C)[C@@]2(CC(=O)O)CC[C@@]1(C)C(=O)C2 103611296 OOKLLGFRJXQVEU-RYUDHWBXSA-N 210.273 2.247 0 40 BEAB CCCC(=O)N[C@@H]1[C@@H]2[C@@H]3C[C@H]4[C@H]5C[C@H]([C@@H]42)[C@]1(C)[C@H]53 104122364 PBKXDKBOHVPXKQ-QZWYEULKSA-N 245.366 2.439 0 40 BEAB Cc1ccccc1N1CCN[C@H]2CCC[C@H]21 218843603 IOMBDNVJKDTDRM-GXTWGEPZSA-N 216.328 2.326 0 40 BEAB CCOc1cc(C(=O)O)c(Cl)cc1O 225284730 NYIRBRADJBWFFW-UHFFFAOYSA-N 216.620 2.143 0 40 BEAB C[C@@H]1O[C@@H]2CCC[C@H](CC(=O)O)[C@H]2[C@H]1C 242554695 MTYHLPGWADWHSZ-DSPMHBFJSA-N 212.289 2.301 0 40 BEAB CC(=O)Oc1ccccc1C(=O)C1CC1 389384682 RVYFBDHDIUSNKU-UHFFFAOYSA-N 204.225 2.205 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CC2CC1(C(F)(F)F)C2 662220904 BDAOKPJZFRLWNH-HHMRDVHBSA-N 233.233 2.196 0 40 BEAB CN(Cc1ccc(F)cc1F)[C@H]1CCC[C@@H]1O 708559310 PBTUSIUBOUKAQY-STQMWFEESA-N 241.281 2.310 0 40 BEAB O=c1c2ccccc2cnn1Cc1ccccc1 144111 VNZBEMQOBGYHTK-UHFFFAOYSA-N 236.274 2.445 0 40 BEAB Cc1cccc([C@@H]2NC(=O)c3ccccc3N2)n1 1438257 DAIKVIYFWDNQDB-ZDUSSCGKSA-N 239.278 2.244 0 40 BEAB CCC(O)(Cc1ccccn1)Cc1ccccn1 1675595 AIIXGVSAQDKAGN-UHFFFAOYSA-N 242.322 2.403 0 40 BEAB COP(=O)(OC)[C@](C)(O)c1ccccc1 3046245 SGZOBSIMKNHYPM-JTQLQIEISA-N 230.200 2.338 0 40 BEAB COC(=O)[C@@H]1CC[C@@](C)(C(C)=O)C1(C)C 3845936 WOEAGAZKQHACRT-CABZTGNLSA-N 212.289 2.191 0 40 BEAB biogenic CC[C@@H]1Cc2ccc(OCCN(C)C)cc2C1=O 4777918 BPUDGFCZEXQFIV-LLVKDONJSA-N 247.338 2.392 0 40 BEAB Cc1n[nH]c2c1[C@H](c1ccccc1F)N(C)C2=O 4909068 XDWKEJOBAMPAEY-LBPRGKRZSA-N 245.257 2.032 0 40 BEAB CC[C@H](C)NC(=O)Cc1ccccc1OC 5468551 IABSGBGYRVCGSK-JTQLQIEISA-N 221.300 2.152 0 40 BEAB CC(C)CNC(=S)NCc1ccccc1 5497950 QDCOUAFZLQAXQV-UHFFFAOYSA-N 222.357 2.307 0 40 BEAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 5675986 QMACGMRTSBRYQY-JTQLQIEISA-N 247.294 2.287 0 40 BEAB O=C(O)c1cc(-c2ccc(F)cc2F)[nH]n1 6849496 LRDOJMOGOIKYLF-UHFFFAOYSA-N 224.166 2.053 0 40 BEAB in-vitro O=C(CSc1ccccn1)Nc1cccnc1 7456544 YMOSDMIVRQUFKU-UHFFFAOYSA-N 245.307 2.207 0 40 BEAB C[C@@H](Nc1ccc(Br)cc1)C(=O)O 8702709 WZOJQKSLTMPDCN-ZCFIWIBFSA-N 244.088 2.334 0 40 BEAB COc1ccc(C(=O)Nc2ccnc(C)c2)cn1 9367697 BWVPKCFOICARHN-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1nn(C)cc1CN(C)C(=O)CC(C)(C)C 12064978 OUQPXTNGCDXXPO-UHFFFAOYSA-N 237.347 2.123 0 40 BEAB CNS(=O)(=O)c1ccc(C)c2ccccc12 12291172 MFJMOKJJBKMNTB-UHFFFAOYSA-N 235.308 2.056 0 40 BEAB Nc1cc(C2CC2)nn1-c1ccc(F)cc1 12355462 UXTDYQOCRWENFL-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1Cc1ccccc1 12408742 KCSZGLKFTDCMAL-STQMWFEESA-N 243.306 2.362 0 40 BEAB CCC(C)(C)OC[C@H](O)CN1CCC[C@@H](C)C1 12420009 STCBZPONCVZIMZ-CHWSQXEVSA-N 243.391 2.284 0 40 BEAB Cc1nc(-c2ccccc2)[nH]c(=O)c1C 12653800 JZKBFYMLSCHWIN-UHFFFAOYSA-N 200.241 2.054 0 40 BEAB Nc1ccccc1OC[C@@H]1CCCCO1 13483546 AGQGPCQKCZTQJO-JTQLQIEISA-N 207.273 2.217 0 40 BEAB in-vitro CC(C)CC(=O)N1CC(=O)Nc2ccccc21 15912171 VFEJRPCEEANZGL-UHFFFAOYSA-N 232.283 2.018 0 40 BEAB CCONC(=O)COc1ccc2ccccc2c1 17821462 ZSGQGOPRLVQIMR-UHFFFAOYSA-N 245.278 2.286 0 40 BEAB COc1ccc(N)cc1C(=O)N1CCC(C)CC1 20156020 BAOORWFXHVJVLT-UHFFFAOYSA-N 248.326 2.150 0 40 BEAB Cc1cc(C(=O)NC2CCCC2)ccc1N 20195094 RTMCPXKOVLXCEO-UHFFFAOYSA-N 218.300 2.250 0 40 BEAB in-vitro O=C(c1cc(Cl)c[nH]1)N1CCCCC1 28649348 PTIQVSUEGIMPIM-UHFFFAOYSA-N 212.680 2.294 0 40 BEAB Cc1csc(CCNC(=O)C(C)(C)C)n1 31848990 JUGSXLBUIXMVFC-UHFFFAOYSA-N 226.345 2.156 0 40 BEAB Brc1cncc2c1CCCN2 35270066 WBDFPECBTFVBDX-UHFFFAOYSA-N 213.078 2.202 0 40 BEAB CC[C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2 36730045 FCLBELVJVJPIBP-SNVBAGLBSA-N 249.310 2.120 0 40 BEAB Cc1nn(C)c(Nc2c(F)cccc2F)c1N 36749234 GGFIXCJRDBADGX-UHFFFAOYSA-N 238.241 2.333 0 40 BEAB CCOc1c(F)cc(C(=O)O)cc1F 38529870 QCPWRWTXAQDVSY-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB Cc1ccc(OCCN(C)C(=O)[C@H]2C[C@H]2C)cc1 40001081 NIIFKDHUSNQLMD-OCCSQVGLSA-N 247.338 2.488 0 40 BEAB CSc1nc(O)c2cc(F)ccc2n1 49068637 VKOGKJDGAKXNMD-UHFFFAOYSA-N 210.233 2.196 0 40 BEAB CN(C)c1nc2ccc(C(=O)O)cc2s1 49453499 BDSWKTFJNPQYCX-UHFFFAOYSA-N 222.269 2.061 0 40 BEAB COC(=O)CCc1csc(-c2ccccn2)n1 49836253 NPBZCBKHOXZEBS-UHFFFAOYSA-N 248.307 2.311 0 40 BEAB c1ccc2oc(OCC3CCNCC3)nc2c1 51869945 VUMPDJMGXIGCDN-UHFFFAOYSA-N 232.283 2.206 0 40 BEAB CC(=O)c1cccc[n+]1Cc1ccccc1 60227740 AJQLKUTXBDYBDT-UHFFFAOYSA-N 212.272 2.225 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@@H](O)[C@@H](N)CCO2 62617667 FXSIZWRFJHHEIR-WCQYABFASA-N 235.327 2.127 0 40 BEAB CC[C@H](C)N(C)CCNC(=O)c1ccccc1C 66137575 HKXAPPSGEYWAQK-ZDUSSCGKSA-N 248.370 2.455 0 40 BEAB CC(=O)Nc1ccc(-c2cnco2)cc1 70262480 OTOBEDSXYBTKEZ-UHFFFAOYSA-N 202.213 2.300 0 40 BEAB O=c1[nH]c(C2CCC2)nc2ccccc12 72192255 JTUMAGYJLBCQIP-UHFFFAOYSA-N 200.241 2.191 0 40 BEAB Cc1cc(Br)c2nc(CO)[nH]c2c1 72219697 DVUCUWXATJDJGN-UHFFFAOYSA-N 241.088 2.126 0 40 BEAB CCOC(=O)[C@H]1C(=O)C2C[C@@H]3CC1C[C@H](C2)C3 72233420 YKVJWMKLQRKVNG-FESBJMALSA-N 236.311 2.191 0 40 BEAB CCCC[C@@H](N)CNC(=O)OC(C)(C)C 74942051 HDYLLORAJORZCO-SECBINFHSA-N 216.325 2.029 0 40 BEAB in-vitro Cc1ccc(Br)c(CO)c1F 75844579 MZVNLFREODQUQU-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB COc1ccc2c(CO)cc(C)nc2c1 82778985 ICXMZDAAOGGHAH-UHFFFAOYSA-N 203.241 2.044 0 40 BEAB CCOC(=O)[C@@H]1N=NC[C@@H]1c1ccc(OC)cc1 85389858 TWEQXAIFXJNBKL-VXGBXAGGSA-N 248.282 2.176 0 40 BEAB Cc1ccc2ccc(C(=O)O)nc2c1F 85399923 GMSXLRBSDQCLPA-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(CCC2=O)C1 95707259 WHJLPRVITSVHFJ-CYBMUJFWSA-N 239.315 2.367 0 40 BEAB CCc1ccc(Oc2nn(C)cc2N)cc1 95836609 GKGYVSAUGYSKTR-UHFFFAOYSA-N 217.272 2.357 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CNCCn1ccnc1 97098514 HYQGDGLMTBINIF-UONOGXRCSA-N 233.359 2.465 0 40 BEAB CC1CCC(O)(CN[C@H](C)[C@@H]2CCCO2)CC1 97111577 HQHBSGXGKQVBFK-DKNRTOFZSA-N 241.375 2.085 0 40 BEAB CC(C)n1c([C@H]2CCCNC2)nc2ccncc21 97673560 PUKXUZLGXHSGOX-NSHDSACASA-N 244.342 2.479 0 40 BEAB Cn1c(S)nnc1-c1ccnc2ccccc12 116937313 FVCXYXXKPBNSTL-UHFFFAOYSA-N 242.307 2.319 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)CCN 195542430 UZUBWYDNMRWJJB-RYUDHWBXSA-N 226.364 2.008 0 40 BEAB CCN1CCn2c(nc3cc(C)ccc32)C1 226251762 NRXAGXRFRFMUCF-UHFFFAOYSA-N 215.300 2.180 0 40 BEAB CCC(=O)Nc1cc(N)ccc1N(CC)CC 226260473 YARVPHNNWVFVKV-UHFFFAOYSA-N 235.331 2.464 0 40 BEAB O=Cc1c(Br)ccc2c1OCOC2 238019050 RDCAJOKGBCDQKD-UHFFFAOYSA-N 243.056 2.128 0 40 BEAB CCc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)o1 252584671 CCDWWHCZIYLKSA-NWDGAFQWSA-N 237.343 2.435 0 40 BEAB Cc1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 301607775 OAISSMJAJJBJPT-RKDXNWHRSA-N 209.318 2.083 0 40 BEAB Fc1ccc(C(=S)NC[C@H]2CCCO2)cc1 408572265 HUKQCOVMQJZFGT-LLVKDONJSA-N 239.315 2.270 0 40 BEAB FCCn1cc(Cl)c(COCC(F)F)n1 408716096 IUHNLUFAKCLTCB-UHFFFAOYSA-N 242.628 2.288 0 40 BEAB CC(C)n1ncc(NC(=O)OC(C)(C)C)c1N 1548918905 OKDXJZVYJKMPRL-UHFFFAOYSA-N 240.307 2.393 0 40 BEAB c1cc[n+](CC2OCc3ccccc3CO2)cc1 319414 YWYZCBYEYBHEQE-UHFFFAOYSA-N 242.298 2.047 0 40 BEAB CCC(=O)NCCCCCN1CCCCC1 1646508 LBEMAANNWBZKDW-UHFFFAOYSA-N 226.364 2.169 0 40 BEAB CO[C@@H](C)CCOC(=O)Cc1ccccc1 1768519 OIUOZCYEDMSSFU-NSHDSACASA-N 222.284 2.197 0 40 BEAB C[C@H]1CCC[C@H](C)N1Cc1cn2cccnc2n1 2636222 CNUIWRNWXOBHGL-RYUDHWBXSA-N 244.342 2.492 0 40 BEAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CC1 4027782 ZZDCBARIGIEBBD-QWHCGFSZSA-N 237.343 2.204 0 40 BEAB biogenic CCn1c(-c2ccc(N)cc2)n[nH]c1=S 4161708 CGFXKNBCWOALKK-UHFFFAOYSA-N 220.301 2.210 0 40 BEAB CSc1ccccc1-c1nnc(NC(C)=O)o1 4585546 PSZSOWGHEPIVLW-UHFFFAOYSA-N 249.295 2.417 0 40 BEAB CC(=O)c1cnn(-c2ccc(C(=O)O)cc2)c1C 4870006 BDLYUVJVVVAZSK-UHFFFAOYSA-N 244.250 2.082 0 40 BEAB O=C(O)[C@@H](Cc1ccccn1)c1ccccc1 11570612 NFTPZFXXVNZGAD-ZDUSSCGKSA-N 227.263 2.493 0 40 BEAB in-vitro Cc1cc(OCC(=O)N2CCC2)ccc1Cl 12926123 ARAUNNSZJFPQDB-UHFFFAOYSA-N 239.702 2.260 0 40 BEAB Cc1cc(OCCN2CCCCC2)ccc1N 14630793 UEAXHNYDRAPDOU-UHFFFAOYSA-N 234.343 2.442 0 40 BEAB O=C(CNC1CC1)Nc1cccc(Cl)c1 19386384 HQCUXZAWXJMAAS-UHFFFAOYSA-N 224.691 2.031 0 40 BEAB Cc1oc(-c2cccs2)nc1C(=O)O 19387282 OEGSXMHEARRXEI-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB in-vitro COC[C@H](C)NCc1ccccc1Cl 19904328 RTLDKPIWHYVMQN-VIFPVBQESA-N 213.708 2.465 0 40 BEAB O=C(O)[C@@H]1CCN(Cc2cccc(Cl)c2)C1 20357910 CSUXSPUXCRBQIF-SNVBAGLBSA-N 239.702 2.247 0 40 BEAB CN1CCN(CCSc2ccccc2)CC1 22593690 HSZPYOIGRMEUKI-UHFFFAOYSA-N 236.384 2.026 0 40 BEAB CCCc1c(C)nn(-c2nc(C)cc(C)n2)c1N 26512333 PMNLROGPKPJGDI-UHFFFAOYSA-N 245.330 2.122 0 40 BEAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCO1 31036695 OVPSWWHKGXDZRQ-KGLIPLIRSA-N 245.322 2.433 0 40 BEAB C[C@@H]1Sc2nncn2N=C1c1ccccc1 33737638 DSDMCHWFBNYULG-QMMMGPOBSA-N 230.296 2.025 0 40 BEAB c1ccc2c(c1)CCN2CCC1CCNCC1 34972516 VAOVRCPJICZGDA-UHFFFAOYSA-N 230.355 2.439 0 40 BEAB CCC[C@](C)(NC(=O)CC(C)(C)C)C(=O)O 36339496 XMIYWTBLGWWFAQ-LBPRGKRZSA-N 229.320 2.182 0 40 BEAB COC(CNCc1cccc(Cl)c1)OC 37388239 RALNVYXUXLMWKC-UHFFFAOYSA-N 229.707 2.049 0 40 BEAB in-vitro COc1ncccc1NC(=O)c1ccccc1F 37991328 YDQQCMCDGKMTSY-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB COc1ccc(-n2ccc(C=O)c2)cc1 39018423 LTHOBNHCLJNXEL-UHFFFAOYSA-N 201.225 2.298 0 40 BEAB C[C@@H](c1ccccc1)N1C[C@@H]2C[C@H](O)[C@H]1C2 39075989 ZQUNYTSMUVIALC-VTPLQMEGSA-N 217.312 2.203 0 40 BEAB Cc1cccc(-c2nc(CN)c(C)o2)c1 41211085 ISPBCBBZYAKIFX-UHFFFAOYSA-N 202.257 2.417 0 40 BEAB Cc1ccc(C[C@@H](C(=O)O)N2CCCC2)cc1 41260673 MWNAQBRGDJBYLG-ZDUSSCGKSA-N 233.311 2.087 0 40 BEAB Cc1csc(CNC(=O)Nc2cccnc2)n1 48405852 LAOFZPOKGRJYSP-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB CCc1nc(CCNc2ccc(C)cc2)n[nH]1 48630829 LITBUSIMQHZQJX-UHFFFAOYSA-N 230.315 2.330 0 40 BEAB CONC(=O)c1cc(Cl)cc(Cl)c1 58167330 DBZMKKVAQSZDPS-UHFFFAOYSA-N 220.055 2.285 0 40 BEAB O[C@@H](Cn1cccn1)c1ccc(Cl)cc1 62702413 NHYRDZUFSXUHDC-NSHDSACASA-N 222.675 2.270 0 40 BEAB O=C(O)C12[C@H]3CCC[C@@H]1C32c1ccccc1 71792715 SZNPNJRDELWFSX-WHCAJBEMSA-N 214.264 2.439 0 40 BEAB CN[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207622 MHIYDVMZQYMYAT-UWVGGRQHSA-N 230.352 2.144 0 40 BEAB COC[C@H](C)NC(=O)N1C[C@H](C)c2ccccc21 79115522 FPTWLSMDSHDHRM-QWRGUYRKSA-N 248.326 2.355 0 40 BEAB O=C(O)C1(c2cc(F)ccc2F)CCC1 82964582 AOOXECYNGJSYAV-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB CCOC(=O)Cc1ccc(Cl)c(OC)c1 84193157 FYHRIDNUCHIWQD-UHFFFAOYSA-N 228.675 2.454 0 40 BEAB in-vitro Brc1cncc2cnccc12 85344559 AZSTZKZCZFRDHB-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB CCNc1nc(C)c(C(=O)N2CCCC2)s1 95406691 XQDYYJRYJGIXSN-UHFFFAOYSA-N 239.344 2.119 0 40 BEAB COC(=O)C(=O)c1ccc(Cl)cc1C 95729603 APWJHGSWHMASDB-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB COc1cc(F)ccc1C1([C@H](C)O)CC1 95739176 YSBCAGYIEPANPY-QMMMGPOBSA-N 210.248 2.247 0 40 BEAB O=C1OC2=C(c3ccccc3)CCC[C@@H]2C1=O 104072476 JNPPJDSJNWSZNF-LLVKDONJSA-N 228.247 2.324 0 40 BEAB CC[C@@H](C)N(C)CCNC(=O)N(C)[C@H](C)CC 107320411 GNAIUIWBOFSJLF-VXGBXAGGSA-N 243.395 2.157 0 40 BEAB O=C(c1ccsc1)N1CC[C@H](c2ccn[nH]2)C1 205687750 SSWWOXTWXDOLNG-VIFPVBQESA-N 247.323 2.101 0 40 BEAB CCCNC(=S)Nc1ccccc1C(=O)O 225154288 HCVXFIXBTNFPLF-UHFFFAOYSA-N 238.312 2.081 0 40 BEAB CC1=NN(c2nc3ccccc3[nH]2)C(=O)CC1 256055645 OJVKRIIRECNUTN-UHFFFAOYSA-N 228.255 2.066 0 40 BEAB CCOc1ccccc1N(C)[C@H](CC)C(=O)O 260679475 OQEXSHKWCQLYQZ-SNVBAGLBSA-N 237.299 2.385 0 40 BEAB N#Cc1c(F)ccc(N)c1Br 260706194 BCWCGOHWOQKTDL-UHFFFAOYSA-N 215.025 2.042 0 40 BEAB CC[C@H](C)N1CCC[C@H](COc2ncccn2)C1 1849204553 XXJIFBNHHCLLBU-STQMWFEESA-N 249.358 2.366 0 40 BEAB C[C@H]1CN(C(=O)c2ccccc2F)C[C@H](C)O1 29748 WIRZYKIFMJGHTQ-UWVGGRQHSA-N 237.274 2.075 0 40 BEAB CCN(CC)c1nc(Cl)nc(Cl)n1 88010 HYWCPNMPNFJCMD-UHFFFAOYSA-N 221.091 2.025 0 40 BEAB NC(=S)Cc1ccc(-c2csnn2)cc1 165081 FFXNUUZEYJHLNE-UHFFFAOYSA-N 235.337 2.034 0 40 BEAB Cc1cc(C(=O)NC2CC2)c2ccccc2n1 217267 FMLMQWZXCRIBLI-UHFFFAOYSA-N 226.279 2.435 0 40 BEAB COCc1ccnn1-c1ccccc1C 1610777 RGNDILRPXNBHJJ-UHFFFAOYSA-N 202.257 2.327 0 40 BEAB Clc1nc(Cl)c2ncnc(Cl)c2n1 1626917 AQHKGPWUIOAPHJ-UHFFFAOYSA-N 235.461 2.380 0 40 BEAB CCCN1CNc2nc3ccccc3n2C1 2447163 MGWFNYBXCGGCJW-UHFFFAOYSA-N 216.288 2.089 0 40 BEAB CC(C)C/C=C/C(=O)Nc1ccccc1C(N)=O 2543383 VWRDKPKMEXJAMI-WEVVVXLNSA-N 246.310 2.326 0 40 BEAB CCCC(=O)Nc1nnc(CCC)s1 3016567 DADAZYKDTQLIAR-UHFFFAOYSA-N 213.306 2.229 0 40 BEAB CNC(=S)Nc1cc(C)nc2ccccc12 6275740 NUDHKQWLNUKKAH-UHFFFAOYSA-N 231.324 2.459 0 40 BEAB CCOc1ccccc1NC1=NC(=O)CS1 11637991 ZIHUXCKOBAODIL-UHFFFAOYSA-N 236.296 2.127 0 40 BEAB Nc1ccc2c(c1)CCN2C(=O)c1ccccc1 11847727 LOFAPHIXVJRFAQ-UHFFFAOYSA-N 238.290 2.472 0 40 BEAB COc1ccccc1CN1CCC(CCN)CC1 15423996 BDOJKOPBQKITKD-UHFFFAOYSA-N 248.370 2.256 0 40 BEAB CC(C)N1CCC(NCc2ccncc2)CC1 20189008 FVKHYHLVAGGABT-UHFFFAOYSA-N 233.359 2.044 0 40 BEAB CCC(=O)Nc1ccc(N2CCCC2)nc1 20360226 RULBWFSTABSKLD-UHFFFAOYSA-N 219.288 2.030 0 40 BEAB CCn1nccc1CN(C)C(=O)c1cccs1 28219041 RUHVRHLFDDQPIU-UHFFFAOYSA-N 249.339 2.237 0 40 BEAB Nc1cc(Cc2ccccc2)cc(CO)c1O 30714827 CIMVLQBLYSKPEI-UHFFFAOYSA-N 229.279 2.058 0 40 BEAB CCn1cncc1-c1nnc2c(Cl)cccn12 32592905 ATVNHRUXEJVLGQ-UHFFFAOYSA-N 247.689 2.266 0 40 BEAB CC1CCC(NC(=O)n2ccnc2)CC1 32628555 TVODXQSDXHVHAN-UHFFFAOYSA-N 207.277 2.020 0 40 BEAB O=C(Cn1cccn1)N1CCC[C@@H]2CCCC[C@@H]21 32903896 CUXQUDCXAPCFDD-STQMWFEESA-N 247.342 2.064 0 40 BEAB CN(Cc1cccnc1)C(=O)c1ccccc1F 32967308 YTRFOLJOCBQKMQ-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB O=C(O)CC(=O)c1ccc2ccccc2c1 33966714 QZRKIGAZHXSODT-UHFFFAOYSA-N 214.220 2.497 0 40 BEAB CSc1ncc(-c2ccccc2)nn1 34588390 DRNGUFZHTOCVQB-UHFFFAOYSA-N 203.270 2.261 0 40 BEAB OCc1coc(-c2ccc(Cl)cc2)n1 35149569 OAHOGFAVNUIRGV-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB in-vitro Cc1nc(-c2c[nH]cc2C(=O)O)cs1 37245236 BJUBKZBRKKYOHV-UHFFFAOYSA-N 208.242 2.145 0 40 BEAB in-vitro CSc1cc(C(=O)O)cc(Cl)n1 38063449 HHHZIJIOJMURLW-UHFFFAOYSA-N 203.650 2.155 0 40 BEAB Nc1cccc(-c2ccc3c(c2)OCCO3)n1 38069115 SETWGKKLYIRCBH-UHFFFAOYSA-N 228.251 2.102 0 40 BEAB in-vitro Cc1cc(=O)c(OCc2ccccc2)c[nH]1 38321623 KUXLNQVLYVVIJK-UHFFFAOYSA-N 215.252 2.262 0 40 BEAB CCc1ccc(C(=O)N2CCO[C@@H](C)C2)s1 40477918 WJLMEEZUUOPPRC-VIFPVBQESA-N 239.340 2.171 0 40 BEAB CCC[C@H](N)CN(CC)Cc1ccncc1 42516913 GDQFDTOBHQYZQZ-ZDUSSCGKSA-N 221.348 2.031 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 48056634 BBMPPFABSXELKV-GWCFXTLKSA-N 241.331 2.016 0 40 BEAB Cc1cc(NC(=O)N[C@H](C)C(C)C)no1 48469442 QYZATZOSQYVPAX-MRVPVSSYSA-N 211.265 2.149 0 40 BEAB CN[C@@H](CN)c1cccc(Cl)c1Cl 50269920 AWDHXXBQVMIWJJ-QMMMGPOBSA-N 219.115 2.213 0 40 BEAB c1ccc2c(CNCC3CC3)n[nH]c2c1 51666687 XCBBUAIPAQJEHE-UHFFFAOYSA-N 201.273 2.063 0 40 BEAB Cc1ccc(C[C@H](C(=O)O)N(C)C)cc1Cl 57533807 YRQWLEPVYFPIGB-LLVKDONJSA-N 241.718 2.206 0 40 BEAB C1CCC(OCCCN[C@H]2CCCOC2)CC1 70463908 PTXCHVACWRBWMI-ZDUSSCGKSA-N 241.375 2.494 0 40 BEAB CSc1nc(=O)c2cc(C)sc2[nH]1 71514706 CZQUUIORHKLQRX-UHFFFAOYSA-N 212.299 2.015 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cccc(C)n1 72211072 QQIVZKKXWJUKPL-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CCN1CCCC[C@@H]1c1cccnc1N 72212432 DWEHNGWAWWDYMG-LLVKDONJSA-N 205.305 2.211 0 40 BEAB CCNc1ccc(C2=NCCCC2)cn1 72213085 RWCGXSUCMKZKON-UHFFFAOYSA-N 203.289 2.486 0 40 BEAB CSc1ccc([C@@H]2CCCN2C(C)=O)cn1 72216875 WRQZKRWBXDIGFW-NSHDSACASA-N 236.340 2.487 0 40 BEAB CC[C@@H](O)c1cnc(NC2CC2)c(C)c1 72222769 KKPFBEUGHAEZEJ-LLVKDONJSA-N 206.289 2.408 0 40 BEAB CC[C@H](N)c1cnc(N2CCCC2)cc1C 72223481 QFUJZJLYQDNLJD-LBPRGKRZSA-N 219.332 2.400 0 40 BEAB C=Cc1ccc(I)nc1 72225940 QQJVDFZFBQYREL-UHFFFAOYSA-N 231.036 2.329 0 40 BEAB Cn1c(Cc2ccccc2)ccc1C(=O)O 72324041 LWXSZWQPIRUCGZ-UHFFFAOYSA-N 215.252 2.314 0 40 BEAB c1cnc(-n2cccn2)c(CNC2CCCC2)c1 75775140 ZTESMNYTBNHEHZ-UHFFFAOYSA-N 242.326 2.300 0 40 BEAB O=C(O)CCC1(n2ccnc2)CCCC1 81217836 JVKATCZTFWUAAG-UHFFFAOYSA-N 208.261 2.017 0 40 BEAB COC(=O)c1c(C(=O)O)sc2ccccc12 82302014 AORRGDHGHTZMHD-UHFFFAOYSA-N 236.248 2.386 0 40 BEAB COc1cc(/C=C/C(=O)O)c(Cl)cc1O 83259900 RQBUWKBJAHSDPC-NSCUHMNNSA-N 228.631 2.152 0 40 BEAB C[C@H]1CCc2[nH]nc(C(=O)NC3CCCC3)c2C1 85951734 INRQTIVCFDDBII-VIFPVBQESA-N 247.342 2.207 0 40 BEAB O=[N+]([O-])c1ccc(N/N=C/[C@H]2CCOC2)cc1 95946970 OISYWDYMPKCYKT-SZJBZFAYSA-N 235.243 2.029 0 40 BEAB O[C@H]1Cc2ccccc2[C@H]1NC1CCSCC1 95969138 ZUBDGDRMDNVQLO-UONOGXRCSA-N 249.379 2.130 0 40 BEAB Nc1nc(-c2ccc3nsnc3c2)cs1 96124475 BHQMUSWEEJMJAR-UHFFFAOYSA-N 234.309 2.397 0 40 BEAB COc1ccc(CN2CCC(CN)CC2)c(C)c1 96523628 CCVHPAXCNCBYGR-UHFFFAOYSA-N 248.370 2.174 0 40 BEAB COc1ccccc1OCCn1cc(C)cn1 97082537 VKUQVIBQWQVWBS-UHFFFAOYSA-N 232.283 2.279 0 40 BEAB CCOC(=O)[C@@H]1CS[C@H](c2ccsc2)N1 98072890 LRDCRUIGTYLONY-DTWKUNHWSA-N 243.353 2.015 0 40 BEAB CC[C@H](C)Oc1ccc(/C=C/C(N)=O)cc1OC 216883920 BERAFTVDDKKLHM-PCGIRMHASA-N 249.310 2.371 0 40 BEAB CCCN1CCC[C@@H]1CCCNC1CC1 218328249 FRUNNUFRMISXBV-ZDUSSCGKSA-N 210.365 2.393 0 40 BEAB CC[C@H](C(=O)O)N(C)c1ccc(F)cc1 224987023 ZGSJDVWRAQYQTD-SNVBAGLBSA-N 211.236 2.125 0 40 BEAB CCO[C@H](Cc1ccccc1CC)C(=O)O 225041570 RATBBPFBCFUKHO-GFCCVEGCSA-N 222.284 2.281 0 40 BEAB Cc1cc(F)ccc1N1CCN[C@@H]2CCC[C@@H]21 225717406 PDPKXEVVDGTIIZ-OCCSQVGLSA-N 234.318 2.465 0 40 BEAB CCOC(=O)c1cc(N)c(OCC)cc1Cl 225732554 OKRZSOGJQYWTDM-UHFFFAOYSA-N 243.690 2.498 0 40 BEAB Cc1ccc([C@H](C)O[C@H]2CCNC2)c(C)n1 252488752 IXXRNOQIHCRCST-RYUDHWBXSA-N 220.316 2.138 0 40 BEAB Cn1c(OCC2CC=CC2)nc2cccnc21 585655245 YPKZWGLAWPYPTK-UHFFFAOYSA-N 229.283 2.313 0 40 BEAB C[C@@H]1CCC[C@@]2(C1)NC(=S)N(C(C)(C)C)N2 139821 IARFFTLYQWSPOS-BXKDBHETSA-N 241.404 2.386 0 40 BEAB Cc1nc2cc(C(=O)O)c(C(=O)O)cc2s1 379458 AKWZJSDZVFSBOW-UHFFFAOYSA-N 237.236 2.001 0 40 BEAB O=C1O[C@@H]([C@@H]2CCCCC2=O)C(Cl)=C1Cl 1028786 BVTPNHNQOIOZQK-ANLVUFKYSA-N 249.093 2.360 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 1358401 OQEHWTXUAOJROD-UHFFFAOYSA-N 249.314 2.415 0 40 BEAB C[C@H](O)c1ccc[n+](Cc2ccccc2)c1 1630757 HBPPUEWELDEJTA-LBPRGKRZSA-N 214.288 2.076 0 40 BEAB CC(=O)CCN1CCc2ccccc2C1 1675930 XNDPPXXLNZOULZ-UHFFFAOYSA-N 203.285 2.024 0 40 BEAB CCC(=O)C[C@@H]1CCC[C@@H](CC(=O)CC)N1 1713140 ICQDSEWZOQKQSL-QWRGUYRKSA-N 225.332 2.236 0 40 BEAB biogenic CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2CCC(=O)O 3846441 MZKZHXRZHFXJPH-KKFJDGPESA-N 224.300 2.493 0 40 BEAB CCn1c(S[C@H](C)C(N)=O)nc2ccccc21 4484508 YQOXMPCQHKNUOR-MRVPVSSYSA-N 249.339 2.022 0 40 BEAB CC(=O)O[C@@H]1CCc2ccccc2[C@H]1OC(C)=O 4667596 PWDTYDXUIYVSGG-ZIAGYGMSSA-N 248.278 2.169 0 40 BEAB Cc1ccc(N2C(=O)c3ccccc3C2=O)nc1 4915411 ZCZPLRYTBRYPGQ-UHFFFAOYSA-N 238.246 2.191 0 40 BEAB OC[C@@H]1COc2cc(Cl)c(Cl)cc2O1 5940986 YSKZPQPJOWLVSP-RXMQYKEDSA-N 235.066 2.126 0 40 BEAB COC(=O)c1cc(Cl)cc2[nH]ncc12 14983219 SBYBKVQDMAREOM-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB in-vitro CCOC(=O)c1c(Cl)c(C)nn1CC 14985124 BXVLWBAKRHSBAN-UHFFFAOYSA-N 216.668 2.042 0 40 BEAB CCCCNC(=S)C(=S)NCCCC 16034519 XEHMWDJXQOCWDM-UHFFFAOYSA-N 232.418 2.421 0 40 BEAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 16230374 RDWZVHFFXXDROT-CMPLNLGQSA-N 248.326 2.399 0 40 BEAB c1ccc2c(CN3CCNCC3)csc2c1 20268562 ALTRVAXFQNIGFL-UHFFFAOYSA-N 232.352 2.307 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2C(C)=O)c(OC)c1 20392299 XSDYVJPZXXGBHN-NEPJUHHUSA-N 220.268 2.396 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCCCCC1 22538613 UAXGEFPROGRJKY-LBPRGKRZSA-N 213.321 2.204 0 40 BEAB CN[C@]1(CN2CCCC2)CCc2ccccc2C1 22927774 UBDASNATHZNUNT-MRXNPFEDSA-N 244.382 2.229 0 40 BEAB COc1ccc(CNC(=O)NCC(C)C)cc1 25052667 LOVYBGQNFPMDIU-UHFFFAOYSA-N 236.315 2.150 0 40 BEAB Nc1nnc(COc2ccc3ccccc3c2)o1 26443181 YGPJWTMEQOEURZ-UHFFFAOYSA-N 241.250 2.384 0 40 BEAB CCC(CC)C(=O)N(C)Cc1ccnn1CC 28219321 DTHJBZNCRPCVCW-UHFFFAOYSA-N 237.347 2.298 0 40 BEAB CCOc1ccc2c(c1)N1CCCN=C1N2C 30822787 FCJMZXQYJUOBOP-UHFFFAOYSA-N 231.299 2.101 0 40 BEAB Nc1cccc(CC(=O)c2ccccc2)n1 31670162 ITSXNXLMFLZYKB-UHFFFAOYSA-N 212.252 2.089 0 40 BEAB COC(=O)c1cccc2c(F)c(O)ccc12 31777154 RWVOYPPMMOPPSZ-UHFFFAOYSA-N 220.199 2.471 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cnn(C)c1 32537883 KZHNUUCEZWRKEN-GPTOWFIXSA-N 247.342 2.128 0 40 BEAB CC1(C)COCCN1C(=O)c1cccc(F)c1 36101959 ZJKNOYCZMHBVIR-UHFFFAOYSA-N 237.274 2.077 0 40 BEAB CCCc1c(C(=O)O)[nH]c(C)c1C(C)=O 36379485 DAQAQWGFAZEZLJ-UHFFFAOYSA-N 209.245 2.176 0 40 BEAB in-vitro CC(C)COCCC(=O)Nc1nccs1 36394587 KIARBLHONOIULB-UHFFFAOYSA-N 228.317 2.144 0 40 BEAB CN(C)C(=O)CCc1ncc(-c2ccccc2)o1 42012389 SQNCSHXNSUMYJS-UHFFFAOYSA-N 244.294 2.362 0 40 BEAB CCCN(C)Cc1ccccc1N1CCOCC1 47704412 ASRIZSFIQSYAIF-UHFFFAOYSA-N 248.370 2.365 0 40 BEAB COc1ccc(OCCN[C@@H](C)C2CC2)cc1 49900174 FNPGMYLSTLGYAH-NSHDSACASA-N 235.327 2.462 0 40 BEAB CCOC(=O)CN1CC[C@@H](c2ccccc2)C1 50266843 DVJWCHSKTBDJOO-CYBMUJFWSA-N 233.311 2.039 0 40 BEAB Cc1cc(F)ccc1CNCCn1cccn1 50577429 FTXGPGCCGRMAJG-UHFFFAOYSA-N 233.290 2.120 0 40 BEAB Cc1c(Cl)cc(C(=O)O)c(O)c1C 57339449 UEHNCEGCNMCFCE-UHFFFAOYSA-N 200.621 2.361 0 40 BEAB CN(Cc1ccno1)Cc1ccccc1F 66562690 XFWOWWCJOPIJHS-UHFFFAOYSA-N 220.247 2.446 0 40 BEAB C[C@](CN)(c1cccs1)N1CCCCC1 70453218 LTHWKBJZIGQDIN-LBPRGKRZSA-N 224.373 2.408 0 40 BEAB CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@@H]21 72210182 URXTVALAEXFDQW-QWRGUYRKSA-N 240.347 2.138 0 40 BEAB N=C1N=NC(=N)C1=C1C(O)=Nc2ccccc21 72422436 FYWKCHIAWPLPLB-UHFFFAOYSA-N 225.211 2.462 0 40 BEAB CC[C@H](Cc1ccc(C)cc1)NC(C)=O 81070085 NLNZMPIIYDRIBS-CYBMUJFWSA-N 205.301 2.452 0 40 BEAB CN1CCC[C@@H](C(=O)Nc2ccccc2F)C1 82324147 AQSPRKBXNJCRDX-SNVBAGLBSA-N 236.290 2.106 0 40 BEAB O=C(O)Cc1ccsc1Br 82364853 CGQRDVQJIXQIRB-UHFFFAOYSA-N 221.075 2.138 0 40 BEAB CC(C)[C@@]1(O)CCN(Cc2ccccc2)C1 84400580 JKKGYJZRDNQMOF-CQSZACIVSA-N 219.328 2.279 0 40 BEAB COc1cc(OC)c2c(c1)[C@@H](C)CC2=O 85223661 ZMSPOUREAWGXSO-ZETCQYMHSA-N 206.241 2.394 0 40 BEAB CCOC(=O)c1ccc(Br)nc1C 88190216 LKSLXVLEXKSTEI-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB C[C@H](CO)NC(=O)C=C1CCC(C)(C)CC1 95433552 RGOGSRLFMDKHIX-SNVBAGLBSA-N 225.332 2.010 0 40 BEAB CO/C=C(/F)C(=O)Nc1ccccc1F 96171770 SVGBVJUJYOVTCT-SOFGYWHQSA-N 213.183 2.222 0 40 BEAB CC(C)(C)CN(CCCO)Cc1ccncc1 96424635 ZHJZGEVYVIKZPH-UHFFFAOYSA-N 236.359 2.312 0 40 BEAB Cc1nc(NCc2cc(F)cc(F)c2)n(C)n1 97147973 ISDPTFMSYAORSY-UHFFFAOYSA-N 238.241 2.014 0 40 BEAB Cc1noc(Cl)c1CC(=O)N1CCCCC1 98009343 MWDVDTWKTMHODY-UHFFFAOYSA-N 242.706 2.191 0 40 BEAB CC1(C)O[C@]2(C)CC[C@@H]1C(=O)OC2(C)C 100365207 VDPXXZOIXVYKMK-PRHODGIISA-N 212.289 2.286 0 40 BEAB COc1cc2ccccc2cc/c1=N/O 102888344 UJCPQXFSVCLHRC-QBFSEMIESA-N 201.225 2.138 0 40 BEAB CCOC(=O)C1(C2=NC(C)(C)C[C@@H](C)O2)CC1 196311943 SIERTOJMFJCEMB-SECBINFHSA-N 239.315 2.316 0 40 BEAB Cc1cc2c(cc1C)[C@]1(CCO2)C[C@@H]1C(=O)O 217037304 SRXIHLBTCDMUHL-RISCZKNCSA-N 232.279 2.428 0 40 BEAB Cc1cccc(N2CCN[C@H]3CCC[C@H]32)c1 218843803 IRQBARHHMZTBRJ-UONOGXRCSA-N 216.328 2.326 0 40 BEAB Fc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1F 225717824 APKZMGFTMSSXLC-STQMWFEESA-N 238.281 2.296 0 40 BEAB CCn1cnc2c(N3CCC[C@@H](C)C3)ncnc21 299668848 ZPPGWQIFDTZWRB-SNVBAGLBSA-N 245.330 2.083 0 40 BEAB Cc1ncnc(C(=O)NCC2CCCCC2)c1C 1888833993 CZHPYGUZZYVTQS-UHFFFAOYSA-N 247.342 2.404 0 40 BEAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCO1 1466454 MFKOLTMRWOPOMZ-LBPRGKRZSA-N 235.283 2.121 0 40 BEAB CCOC(=O)[C@H](C(=O)CC(C)C)C(C)C 1555518 OTGHQCUPQMXJRO-NSHDSACASA-N 214.305 2.437 0 40 BEAB O=C(Nc1ccc(Cl)cc1)Nc1nc[nH]n1 1722099 KVGIHHVYSFSMNO-UHFFFAOYSA-N 237.650 2.102 0 40 BEAB COC(=O)CCC(=O)c1ccccc1C 1734338 YAHOPCAPQXOADV-UHFFFAOYSA-N 206.241 2.131 0 40 BEAB CCOc1ccc(C(=O)C2CCNCC2)cc1 4784509 QSBHEDZPDXUREN-UHFFFAOYSA-N 233.311 2.268 0 40 BEAB in-vitro Cc1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1 12526563 KSEPDTCKJCJYGY-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB O=C(O)c1ccc(OCc2ccccc2)cn1 13450967 FQSOASDQLNSXJQ-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro CC(=O)Nc1cccc(OCC2CCNCC2)c1 14631443 NHMASDKELHJZSN-UHFFFAOYSA-N 248.326 2.023 0 40 BEAB CCC(CC)C(=O)N1CCCc2c(cnn2C)C1 19500198 DAVAIMXOYSNFBC-UHFFFAOYSA-N 249.358 2.131 0 40 BEAB CCN(CCC(=O)O)c1cccc(C)c1 20133799 ZNTIXLHQPKPOBO-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB CCOc1ccc2[nH]c(N(C)C)nc2c1 22170947 GLUQNIGNQUXEJM-UHFFFAOYSA-N 205.261 2.028 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cccnc1OC 32755111 XJQFFKRGGQZTPL-LLVKDONJSA-N 248.326 2.495 0 40 BEAB CC(C)(CC(=O)N1CCOCC1)c1ccccc1 36139833 FKSWQRJYRLCGHU-UHFFFAOYSA-N 247.338 2.213 0 40 BEAB N[C@@H](c1cccc(F)c1)c1ccccn1 37466336 KQZYFGZSUCYGSD-LBPRGKRZSA-N 202.232 2.269 0 40 BEAB in-vitro C[C@@H](C1CC1)N(C)C(=O)COCc1ccccc1 40490151 PVWMRIDLGXBCCP-LBPRGKRZSA-N 247.338 2.460 0 40 BEAB CC[C@H](C)NC(=O)Cc1ccccc1C 44715386 WQCGCGYJHOVMKE-NSHDSACASA-N 205.301 2.452 0 40 BEAB CCOC(=O)[C@H](C#N)c1ccc(OC)c(F)c1 49828429 RUVPAFDZMNWPSQ-SECBINFHSA-N 237.230 2.005 0 40 BEAB NC[C@H](CO)Cc1cccc(Cl)c1Cl 62711361 RPCBQZHHUFVTPQ-SSDOTTSWSA-N 234.126 2.103 0 40 BEAB O=C(CCC(=O)c1ccccc1)Nc1cc[nH]n1 65542692 DVLYDIQSTJMBSW-UHFFFAOYSA-N 243.266 2.011 0 40 BEAB O=C1CCn2c1ccc2C(=O)c1ccccc1 67665122 NFKBMHXYCKRXPQ-UHFFFAOYSA-N 225.247 2.306 0 40 BEAB in-vitro CC(C)c1ccc([C@@H]2CNC[C@H]2C(=O)O)cc1 69272489 STLUYUGBFMPPSI-QWHCGFSZSA-N 233.311 2.198 0 40 BEAB CC(C)[C@@H](C)C(=O)NCc1cccc(C(=O)O)c1 70122259 NLFZMTUIFBFEFX-SNVBAGLBSA-N 249.310 2.293 0 40 BEAB CC(C)c1ccc(NC(=O)c2cc(N)n[nH]2)cc1 72338317 LMEGVBWROUUWRO-UHFFFAOYSA-N 244.298 2.368 0 40 BEAB Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)c(C)c1 89612089 HEFOIPFXMMPPML-CYBMUJFWSA-N 246.354 2.080 0 40 BEAB CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2 100078505 HWPHWBRCRWNTLX-UWVGGRQHSA-N 240.347 2.184 0 40 BEAB C[C@H](C1CC1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1 107498714 GBZNTMMKSBRLSK-ICGCDAGXSA-N 249.354 2.343 0 40 BEAB CCN(CC)CCN1CCS[C@@H](C)CC1 192186217 YEEFFLJLSRDXEK-LBPRGKRZSA-N 230.421 2.156 0 40 BEAB CO[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccco1 206861900 YJEOZLQIUXOPRM-DGCLKSJQSA-N 249.310 2.440 0 40 BEAB CCOC(=O)[C@@H]1CNc2ccc(Cl)cc2C1 217524227 WNLMQSWJHAJYKP-VIFPVBQESA-N 239.702 2.487 0 40 BEAB CCOc1c(Cl)cc(OC)cc1C(=O)O 225279792 TYYVCMOHDVRIKR-UHFFFAOYSA-N 230.647 2.446 0 40 BEAB CCCC[C@H](C)C(=O)NCC[C@@H]1CCCO1 225725150 GCEISURFGCZGHV-RYUDHWBXSA-N 227.348 2.498 0 40 BEAB CCC(=O)Nc1c(Cl)cc(N)cc1OC 227146179 IUCCSDSFJCTRTP-UHFFFAOYSA-N 228.679 2.279 0 40 BEAB CC(C)(C)OC(=O)[C@@]1(N)CC2CCC1CC2 253186034 RDVZRSSJLUROFT-SRHKJQAYSA-N 225.332 2.236 0 40 BEAB c1ccc([C@H]2CCCN2C2CCOCC2)nc1 257229163 FWXTYTRXDOOXHX-CQSZACIVSA-N 232.327 2.398 0 40 BEAB c1cnc([C@@H]2CCCN2Cc2cncs2)cn1 257311566 UKBGVGIYIXLNOI-LBPRGKRZSA-N 246.339 2.270 0 40 BEAB CC(=O)N1CC[C@H](c2cccc(F)c2)C1 264315550 UERXIFUAQCAOJP-NSHDSACASA-N 207.248 2.162 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 521399597 JZLKUPNAUQTSJI-FXBDTBDDSA-N 208.644 2.310 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CCC[C@]12CCC[C@H]2N 953091175 XVRVHDJIMVKBLB-MFKMUULPSA-N 240.347 2.267 0 40 BEAB c1ccc(CCN2CCC3(CC2)OCCO3)cc1 477415 MSJXHJSJKPGTSI-UHFFFAOYSA-N 247.338 2.068 0 40 BEAB NC(=O)/C(=C\c1ccco1)c1ccccc1 1100206 FGNPZJIAMLNQEB-XFXZXTDPSA-N 213.236 2.306 0 40 BEAB Cn1nnnc1-c1cc(Cl)cc(Cl)c1 1405251 PQTZIWNDBBWLNV-UHFFFAOYSA-N 229.070 2.184 0 40 BEAB COc1ccc(NC2=NCCO2)c2c1CCCC2 1639069 SFQNHUGBLWODEZ-UHFFFAOYSA-N 246.310 2.372 0 40 BEAB CCN(CC)C(=O)c1cc2ccccc2[n+](C)c1 1665422 LKAGPMKTAAPNAK-UHFFFAOYSA-N 243.330 2.146 0 40 BEAB COC(=O)[C@@H]1Cc2ccc3c(c2C1=O)CCCC3 1855456 QYIDDALBUVDWRH-GFCCVEGCSA-N 244.290 2.093 0 40 BEAB Cc1nn(C(C)(C)C)c(C)c1/C=C/C(=O)O 2387830 VDLNFVMVEXTABV-VOTSOKGWSA-N 222.288 2.353 0 40 BEAB Cc1cc(C(=O)CCC(=O)O)cc(C)c1O 4519860 KKCAMFSPJNWASG-UHFFFAOYSA-N 222.240 2.057 0 40 BEAB in-vitro O=c1cc(-c2ccccc2)nc(C2CC2)[nH]1 6694713 WTUMFJZFOIWNCB-UHFFFAOYSA-N 212.252 2.314 0 40 BEAB NC(=O)CSCc1cccc(Cl)c1 7094184 UOBYHVDZFPDKBZ-UHFFFAOYSA-N 215.705 2.059 0 40 BEAB CNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7538994 HYVPHAALKJWOOQ-UHFFFAOYSA-N 245.278 2.453 0 40 BEAB CSc1ncccc1C(=O)NC(C)(C)C 8316020 HYWCDCAMCWXTOF-UHFFFAOYSA-N 224.329 2.332 0 40 BEAB Clc1cccc(O[C@H]2CCCNC2)c1 12359729 NWSVPHFHSAJMEZ-NSHDSACASA-N 211.692 2.471 0 40 BEAB COc1ccc(C)cc1O[C@H]1CCCNC1 12359837 MCMAGBFGCYIOQN-NSHDSACASA-N 221.300 2.134 0 40 BEAB O=C(Nc1ccccc1)c1ccc2[nH]nnc2c1 12535220 QGJUFKXPWDTDEX-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12902786 NVDVFLBEVFYGCA-UHFFFAOYSA-N 244.294 2.132 0 40 BEAB biogenic CC1CCC(NC(=O)c2cccnc2)CC1 12949250 KEDYJPOPSAKWJF-UHFFFAOYSA-N 218.300 2.390 0 40 BEAB CSc1ccc2cc(C=O)c(=O)[nH]c2c1 13495522 WHTPQVGRZBWWFK-UHFFFAOYSA-N 219.265 2.063 0 40 BEAB in-vitro C[C@@H](Nc1ncnc2c1cnn2C)c1ccco1 14266518 VPGQDYPJSSEPRN-MRVPVSSYSA-N 243.270 2.129 0 40 BEAB CCN(CC)CCOc1cc(C)ccc1N 14629676 GKPAFKQMZHAJCG-UHFFFAOYSA-N 222.332 2.298 0 40 BEAB Cc1nc2ccccc2nc1C(=S)N(C)C 16265099 OGODPTVLUWCOJM-UHFFFAOYSA-N 231.324 2.175 0 40 BEAB Nc1cccc(C(=O)NCc2ccccc2F)c1 19255252 OMTIMLNUDSUWPU-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB CCCCN(C)c1cc(C(=O)O)ccn1 19844924 ICBHWWAWCPDMAL-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB C[C@@H]1CCCCN1C(=O)Cc1cccc(N)c1 20155026 NYBACNUQLFUMLJ-LLVKDONJSA-N 232.327 2.212 0 40 BEAB Cc1cc(C)cc(OCCNC(=O)C2CC2)c1 22479995 SAEXPCODGXCOCK-UHFFFAOYSA-N 233.311 2.208 0 40 BEAB NC(=O)c1cc2ccc(Br)cc2[nH]1 22864076 JSCKWINVIDGYFR-UHFFFAOYSA-N 239.072 2.029 0 40 BEAB Cc1ccccc1OCc1ncc(C=O)cn1 26505751 UCJJPDBMTDUCBD-UHFFFAOYSA-N 228.251 2.177 0 40 BEAB Cc1cccc(OCc2ncc(C=O)cn2)c1 26505765 AQKUKYFPPMTIIJ-UHFFFAOYSA-N 228.251 2.177 0 40 BEAB CCOCC(=O)N1CCCc2cccc(C)c21 32905125 GWEPLAYIDUNUCY-UHFFFAOYSA-N 233.311 2.311 0 40 BEAB Cc1ccc(N2CC[C@H](N)C2)cc1Cl 33427017 VDWJKKWVORJVSP-VIFPVBQESA-N 210.708 2.186 0 40 BEAB Fc1cccc(Cl)c1CO[C@@H]1CCNC1 36142143 QTPQDTNSVDVUQB-MRVPVSSYSA-N 229.682 2.358 0 40 BEAB O=c1cc[nH]c2c(F)ccc(Br)c12 36753190 GZLLDRWYEUNPGR-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB Cc1ccccc1CNCc1c[nH]nc1C 37502778 ZBJFXUKAXNAJLA-UHFFFAOYSA-N 215.300 2.316 0 40 BEAB CCOC(=O)C(F)(F)c1ncccc1C 40448011 ZWAAEMKHDYQJCM-UHFFFAOYSA-N 215.199 2.045 0 40 BEAB O=C(c1cnccn1)N1CCC[C@@H]2CCCC[C@@H]21 40473443 IDIZFMNUEFVPKB-AAEUAGOBSA-N 245.326 2.271 0 40 BEAB CNC(=O)c1cccc(NC(=O)C=C(C)C)c1C 40516498 IUGDAZMIPPIVFR-UHFFFAOYSA-N 246.310 2.259 0 40 BEAB C[C@@H](CC(=O)c1ccccc1F)C(=O)O 41219207 SDBOBCHEALYEEF-ZETCQYMHSA-N 210.204 2.119 0 40 BEAB in-vitro NC1CCC(NCc2ccccc2)CC1 51693007 GORHIXPUNZTGMZ-UHFFFAOYSA-N 204.317 2.046 0 40 BEAB COC[C@H](C)NC(=O)c1ccc(F)cc1Cl 58163520 KFENKVCMKYLSLH-ZETCQYMHSA-N 245.681 2.244 0 40 BEAB O=C(CC1CCCC1)NCC(F)(F)F 58331057 PASGELIRGQBHIH-UHFFFAOYSA-N 209.211 2.245 0 40 BEAB CCCCOc1ccc(C(=O)OC)cn1 70453860 PUTBWHQUHOMSAI-UHFFFAOYSA-N 209.245 2.047 0 40 BEAB C[C@H]1CN[C@H](Cc2ccc(Cl)cc2)CO1 71532524 QUPLJPIJRLSDFC-JOYOIKCWSA-N 225.719 2.259 0 40 BEAB CN1CCC[C@H]1c1cccnc1N1CCCC1 72215968 GCXSQOZSCNDDKG-ZDUSSCGKSA-N 231.343 2.449 0 40 BEAB Cc1ccc2oc(=O)c(CCC(=O)O)cc2c1 72226548 ODZPJBZJHAEUPD-UHFFFAOYSA-N 232.235 2.119 0 40 BEAB C[C@H]1CCCN(C(=O)c2cscn2)CC1 78482923 ORSJIQSXTAJDMZ-VIFPVBQESA-N 224.329 2.405 0 40 BEAB CCc1cccc(C)c1NC(=O)c1cc(N)n[nH]1 80634786 XAKPULNBIBYYOR-UHFFFAOYSA-N 244.298 2.115 0 40 BEAB C[C@H](CSCc1cccnc1)C(=O)O 83051068 VEMSDKOJSQOPCG-MRVPVSSYSA-N 211.286 2.036 0 40 BEAB CC(C)(N)c1cc(Br)ccn1 83298930 HDVQXVGHUGJOOK-UHFFFAOYSA-N 215.094 2.038 0 40 BEAB Cc1cc([C@@H](O)CNC(C)(C)C)ccc1O 83308759 GELQRPHSNNCPNQ-LBPRGKRZSA-N 223.316 2.122 0 40 BEAB in-vitro Cc1ccc(C)c2sc(N3CC(O)C3)nc12 85436313 XGNSQUFSFJXBLS-UHFFFAOYSA-N 234.324 2.094 0 40 BEAB C1CCC(N[C@H]2CCN(CC3CC3)C2)C1 95394095 GNAXGVUFVGSBNZ-ZDUSSCGKSA-N 208.349 2.003 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ncsc2C1 95725471 QYXDOKDBQSQORZ-UHFFFAOYSA-N 226.301 2.394 0 40 BEAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC 96125666 DXTBLEGYEIFCHI-CQSZACIVSA-N 247.338 2.469 0 40 BEAB O=C(OCC[C@@H]1CCCO1)c1cccs1 96453098 KWKNNKLBWCUDRT-VIFPVBQESA-N 226.297 2.474 0 40 BEAB O=C1CC(C(F)(F)F)=NN1c1ccc(F)cc1 100407085 KJISPJWJOHTVSC-UHFFFAOYSA-N 246.163 2.481 0 40 BEAB O=C(/C=C/c1ccccc1)N1[C@@H]2CC[C@@H]1COC2 101466753 NXMWHRRFOFGVPF-VAIDBEGPSA-N 243.306 2.090 0 40 BEAB CC(C)C(=O)CNC(=O)c1ccc2[nH]ccc2c1 135125972 NGIWIJFSSIYSDJ-UHFFFAOYSA-N 244.294 2.123 0 40 BEAB CCCNCc1cc(C)n(CCOC)c1C 223660247 LINLJCLEIVURQU-UHFFFAOYSA-N 224.348 2.251 0 40 BEAB COC(=O)CCC(=O)c1cc(F)cc(F)c1 234685822 QJIQFAIUZSEONA-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB CC(C)CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 245229982 JGQDLHJNVVLPJJ-GARJFASQSA-N 226.389 2.295 0 40 BEAB C[C@@H]1CC[C@H](NCCc2ccnn2C)C[C@H]1C 253370952 YRFQWWUPZJCZGW-UPJWGTAASA-N 235.375 2.377 0 40 BEAB Cc1nn(C)c(F)c1CNCCc1ccccc1 256051918 LBNWNNXSLZEKQP-UHFFFAOYSA-N 247.317 2.200 0 40 BEAB Cc1ccnc(SC[C@H]2CCCO2)n1 269149808 RPGNDHVIBCNTKS-SECBINFHSA-N 210.302 2.056 0 40 BEAB c1nc(N2C[C@H]3C[C@H]2CS3)c2sccc2n1 585149290 GNDKDUAEKCVASS-JGVFFNPUSA-N 249.364 2.385 0 40 BEAB OCc1c(F)cc(OC(F)(F)F)cc1F 1083811015 MGZJXYXXIDSHIO-UHFFFAOYSA-N 228.116 2.356 0 40 BEAB N[C](c1ccccc1)[C@@H](N)c1ccccc1 1560408637 DQARJSNIHJRGIK-ZDUSSCGKSA-N 211.288 2.225 0 40 BEAB CCOC(=O)CCCCC(=O)C(C)C 2580285 KWMYXLOGIIOZHQ-UHFFFAOYSA-N 200.278 2.335 0 40 BEAB Cc1ccc(Nc2nc(N)nc(N)c2N=O)cc1 4706873 LJSHITQNMFKQFI-UHFFFAOYSA-N 244.258 2.091 0 40 BEAB Sc1nnc(COc2ccccc2Cl)[nH]1 8732764 ATLPLNKTTWHRRM-UHFFFAOYSA-N 241.703 2.326 0 40 BEAB COc1cccc(NC(=O)c2ccccn2)c1 12892286 PAMVKTILGQPDRQ-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CC(C)NC(=O)NCc1ccccc1F 12893083 HJBVUTUYGKCZRJ-UHFFFAOYSA-N 210.252 2.033 0 40 BEAB COc1ccc(NC(=O)NCC2CC2)cc1 12927401 DSTLPXAOXQCGGK-UHFFFAOYSA-N 220.272 2.227 0 40 BEAB Cc1cccc(CN2C(=O)N[C@H](C(C)C)C2=O)c1 12984083 UPOOBQUMTKZHRJ-GFCCVEGCSA-N 246.310 2.071 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 13019331 ZTPCUNRIPJRXME-GXFFZTMASA-N 242.322 2.483 0 40 BEAB Nc1ccc(F)c(NC(=O)c2ccco2)c1 19736563 IABXLXRZHNDODH-UHFFFAOYSA-N 220.203 2.253 0 40 BEAB CCOC(=O)CNc1ccc(CC)cc1 20053776 OLYBAEMPKZDLLY-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB O=C(O)c1ccccc1OCC(F)F 20348857 NLJCHMVRCMBKLY-UHFFFAOYSA-N 202.156 2.029 0 40 BEAB C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCO1 24014494 WTRJNXUHKZCGHT-SECBINFHSA-N 238.262 2.078 0 40 BEAB CCC(=O)c1c(C)c2ccc(O)cc2oc1=O 26476316 ANMSJFNXLUPIRR-UHFFFAOYSA-N 232.235 2.400 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 33000202 FXFOWOCDQSUHIW-CABZTGNLSA-N 221.275 2.440 0 40 BEAB C[C@@H](CNC(=O)C1CCCCC1)N1CCCC1 36076925 AHKNJCGVIBWPRP-LBPRGKRZSA-N 238.375 2.167 0 40 BEAB CCOC(=O)[C@@H](C)c1ccc(C=O)cc1 39385697 KQPWKBOJHTURNH-VIFPVBQESA-N 206.241 2.166 0 40 BEAB in-vitro COc1ccc([C@@H](O)C(F)(F)F)cc1F 40262857 BVVRAFNBWJQLHV-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB CC(=O)c1nc2cc(Cl)ccc2n1C 40980194 WAHYUUVIMUBVPB-UHFFFAOYSA-N 208.648 2.429 0 40 BEAB in-vitro CCc1ccc2ncc(C(=O)O)c(N)c2c1 47913046 REBGQANCUHTUMH-UHFFFAOYSA-N 216.240 2.078 0 40 BEAB O[C@@H]1CCCC[C@@H]1N1Cc2ccccc2C1 50911829 SYBQYINEYVTRKR-UONOGXRCSA-N 217.312 2.306 0 40 BEAB C[C@H](Nc1ccccc1)C(=O)N1CCCCC1 55420903 RHOCBAMVOIYEOD-LBPRGKRZSA-N 232.327 2.500 0 40 BEAB CSCC(=O)Nc1cc(F)ccc1F 58251660 RSODCCLLJZZLNF-UHFFFAOYSA-N 217.240 2.266 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCCCC1=O 71372436 URNWDOSTYDPAKR-SECBINFHSA-N 227.304 2.270 0 40 BEAB in-vitro CCCC[C@H](CC)C(=O)N1CCN[C@H](C)C1 71978902 SEWVWPDQTJUGNR-NEPJUHHUSA-N 226.364 2.023 0 40 BEAB Cc1ccc(CC(=O)NC2CC2)c(C)c1 74960061 PLAVFZNXMAKHFX-UHFFFAOYSA-N 203.285 2.125 0 40 BEAB C[C@@H](C(=O)O)N(C)c1ccc(Cl)cc1 77921254 NRKZLIIOFUCFIY-ZETCQYMHSA-N 213.664 2.249 0 40 BEAB CC(C)(C)OC(=O)N1CC(F)(F)CCC1=O 79033744 LABALBOTTXVJFN-UHFFFAOYSA-N 235.230 2.179 0 40 BEAB O=C1CCc2oc(Br)cc21 82382379 DSLXGANXQHNJKP-UHFFFAOYSA-N 201.019 2.171 0 40 BEAB CN(C)[C@H]1CCC[C@@H](NC2CCSCC2)C1 89314031 NUTHTPKRXBMKEF-OLZOCXBDSA-N 242.432 2.344 0 40 BEAB OCCCCCCN1CCOc2ccccc2C1 89865487 GANICZDYZNTDKU-UHFFFAOYSA-N 249.354 2.434 0 40 BEAB O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 95423936 OVWFFFYONVDXQF-GFCCVEGCSA-N 241.294 2.217 0 40 BEAB C[C@H](CO)SCc1ccnc(Cl)c1 96430349 FLDIBZLRXYYCCV-SSDOTTSWSA-N 217.721 2.349 0 40 BEAB CC[C@@](C)(CO)CNCc1cc(F)cc(F)c1 97021713 SXIHLTBBCCNHDD-CYBMUJFWSA-N 243.297 2.463 0 40 BEAB Fc1ccccc1CN1CCn2ccnc2C1 97201141 LXMGIXSHEKSXRD-UHFFFAOYSA-N 231.274 2.038 0 40 BEAB O=C(Nc1ncccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 106523159 ZPVYJUHXCQWSIK-LPEHRKFASA-N 232.283 2.162 0 40 BEAB O=Cc1cc(N2CCCC2=O)ccc1Cl 199754453 QBCWSXVFLGDGEE-UHFFFAOYSA-N 223.659 2.279 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)C2(F)F 715466361 LXRUDDUMTGFTHU-BQBZGAKWSA-N 219.231 2.118 0 40 BEAB CC(C)(C)OC(=O)Nc1ccnc2c1CCO2 1857793872 NAINMFJRWMVJBT-UHFFFAOYSA-N 236.271 2.364 0 40 BEAB Cc1cnc(OC2CCN(C3CCC3)CC2)nc1 1888834086 DZVYLNQOXLOUHW-UHFFFAOYSA-N 247.342 2.181 0 40 BEAB O=C(COC(=O)c1ccco1)c1ccc(F)cc1 276959 LWDYKIGXQGWWED-UHFFFAOYSA-N 248.209 2.458 0 40 BEAB O=C(NCc1ccccc1)c1ccccc1CO 346887 CYMDYUHOPAWQJF-UHFFFAOYSA-N 241.290 2.109 0 40 BEAB COC(=O)c1cc([C@H](C)O)nc2ccccc12 1720853 PCNNTSJDISWBRZ-QMMMGPOBSA-N 231.251 2.075 0 40 BEAB COc1cccc(CC(=O)C(F)(F)F)c1 2518009 CFXRVYZFEKPHSO-UHFFFAOYSA-N 218.174 2.369 0 40 BEAB CCn1cc(C(=O)N2CCC[C@@H](C)C2)c(C)n1 2781569 HULBBYRNEHKHII-SNVBAGLBSA-N 235.331 2.084 0 40 BEAB CN1C[C@H]2Cc3ccc(O)cc3[C@](C)(C2)C1 5492770 CGKYCWJVDWFBSM-IINYFYTJSA-N 217.312 2.158 0 40 BEAB CCCCc1ccc(-n2nnnc2S)cc1 6172966 NWIVURKKUPQJOZ-UHFFFAOYSA-N 234.328 2.294 0 40 BEAB in-vitro CC(C)(C)CC(C)(C)NC(=O)c1cnsn1 6298271 HZQXGBMAIKAFFT-UHFFFAOYSA-N 241.360 2.483 0 40 BEAB O=[S@@](CC1(O)CCCCC1)c1ccccc1 6575807 KVRLJSGGZODSGI-MRXNPFEDSA-N 238.352 2.489 0 40 BEAB CCOc1ccccc1O[C@@H](CC)C(=O)O 8729618 GFOGXNDKJDRDAD-VIFPVBQESA-N 224.256 2.327 0 40 BEAB O=C(O)c1cccc(Cn2cccc2)c1 17744696 BQFGUUUHTDBULR-UHFFFAOYSA-N 201.225 2.235 0 40 BEAB COc1ccc(N)cc1C(=O)N1CCCC[C@H]1C 20156014 AKOKOHSRDJXDGL-SNVBAGLBSA-N 248.326 2.292 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1N 20194879 PUNIZWUJZKVNDM-JTQLQIEISA-N 232.327 2.449 0 40 BEAB COC(=O)Cc1ccc(OCC(F)(F)F)cc1 20348976 YGRMEWVUYCFYSX-UHFFFAOYSA-N 248.200 2.343 0 40 BEAB COc1cccc(-c2ncc(C(=O)O)c(C)n2)c1 22124120 UUGLMFSZZNDMIW-UHFFFAOYSA-N 244.250 2.159 0 40 BEAB CCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 28575772 HIXPLQJMNKWAHQ-QWRGUYRKSA-N 235.331 2.021 0 40 BEAB CCC/C=C/C=C/C[C@@H](CC(=O)O)NC(C)=O 31163441 BSATYPPYQRYOBE-GZURTZSOSA-N 239.315 2.268 0 40 BEAB biogenic,in-vitro CC(=O)[C@H](CCC(=O)O)c1ccccc1 39255329 IOWZXZAFYLFVTA-NSHDSACASA-N 206.241 2.224 0 40 BEAB CCC(C)(C)NC(=O)CC[C@H]1CCCO1 40506092 ZLZNWDRIUCUERB-SNVBAGLBSA-N 213.321 2.250 0 40 BEAB CCCN(CCC)[C@H](C)C(=O)OCC 43638470 DBKOAMIGSHZPIS-SNVBAGLBSA-N 201.310 2.060 0 40 BEAB COC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 50974102 YBDIORLSIOSUGA-JTQLQIEISA-N 248.200 2.086 0 40 BEAB COc1ccc(OC)c([C@](C)(O)C2CC2)c1 55234353 PDONEVNGIYCOIJ-CYBMUJFWSA-N 222.284 2.321 0 40 BEAB CSCCCN1C(=O)c2ccccc2C1=O 59352219 VOMKYOKPFWVCME-UHFFFAOYSA-N 235.308 2.036 0 40 BEAB CSCCC(=O)NCCc1cccc(F)c1 61241950 QCAPMLBTCXVHIN-UHFFFAOYSA-N 241.331 2.238 0 40 BEAB C[C@H](CCO)Nc1ncccc1C(F)(F)F 77226196 AVWHYQALTJTPDU-SSDOTTSWSA-N 234.221 2.283 0 40 BEAB CCOC(=O)C(F)(F)[C@H](F)C(F)(F)F 80440429 NRYRDKRQQXUDBX-VKHMYHEASA-N 224.100 2.085 0 40 BEAB CC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 82160676 VXPCTIGKKLFXIH-SNVBAGLBSA-N 227.304 2.365 0 40 BEAB in-vitro C[C@@H](N)c1ccc(Br)c(O)c1 83593104 QGPZGYDKUXDREC-RXMQYKEDSA-N 216.078 2.174 0 40 BEAB Cc1n[nH]c(N)c1-c1ccc(F)c(F)c1 84933200 XCYRAMOUQUXWRG-UHFFFAOYSA-N 209.199 2.246 0 40 BEAB CC(=O)c1nc(-c2ccc(O)cc2O)cs1 95462125 LLHQMUAJAFNADA-UHFFFAOYSA-N 235.264 2.424 0 40 BEAB COc1ccc(Cl)cc1C(=O)/C=C\C(=O)O 95727018 GFNQOFHNXMJBKD-HYXAFXHYSA-N 240.642 2.172 0 40 BEAB CC[C@@H](O)Cc1cc(F)c(F)c(OC)c1 96543549 ZTVBOYFFRYIBFV-MRVPVSSYSA-N 216.227 2.287 0 40 BEAB Cc1cccc(N2CCC[C@@H](n3cccn3)C2)n1 97163284 QYZIGWACRQDPPW-CYBMUJFWSA-N 242.326 2.428 0 40 BEAB CCNC(=O)c1cc2cccc(OC)c2o1 113942307 MBJSVKQEUQLUCT-UHFFFAOYSA-N 219.240 2.191 0 40 BEAB NC1C[C@@H]2CC[C@H](C1)C21SCCS1 217637139 ICZVEWGQBDTQPN-JVHMLUBASA-N 215.387 2.310 0 40 BEAB O=C(O)[C@H]1C[C@@H]1Cc1ccc(F)c(F)c1 217824427 CJMOSIYQNXZRLV-YUMQZZPRSA-N 212.195 2.228 0 40 BEAB CCCC[C@@H](C)C(=O)NCC[C@H]1CCCO1 225725226 GCEISURFGCZGHV-VXGBXAGGSA-N 227.348 2.498 0 40 BEAB CCCc1ccc(CNC[C@H]2CCCO2)[nH]1 226020544 ZSAWJAGTMIRBLS-CYBMUJFWSA-N 222.332 2.236 0 40 BEAB CCn1nc(N)cc1COc1ccc(C)cc1 257877407 GKYTXUHSXNTBIW-UHFFFAOYSA-N 231.299 2.373 0 40 BEAB CCN[C@H](C)C(=O)c1cccc(C)c1C 299817221 MXBQQSYOKGUCTH-LLVKDONJSA-N 205.301 2.484 0 40 BEAB in-vitro CC[C@H](C)OCc1ccn(CCF)n1 408715501 TYAXQZXAVIGDHJ-VIFPVBQESA-N 200.257 2.168 0 40 BEAB CC[C@H](C)OCc1ccnn1CC(F)F 408717193 WTAWKNUQADMRMT-QMMMGPOBSA-N 218.247 2.463 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC12CC(=O)C2 606301638 SICOGNDJJMZZND-VIFPVBQESA-N 225.288 2.023 0 40 BEAB O=C(O)CCn1c(=S)oc2ccccc21 73723 QUSAZJGKDUUSPZ-UHFFFAOYSA-N 223.253 2.438 0 40 BEAB biogenic O=C1c2cccnc2C(=O)N1c1ccccc1F 212403 UKGMXXVEOFMBIA-UHFFFAOYSA-N 242.209 2.021 0 40 BEAB CC(C)CCN1C(=S)S[C@@H](NO)C1(C)C 1272597 LBEPUIODXHRRTC-MRVPVSSYSA-N 248.417 2.450 0 40 BEAB Cc1ccc(-n2cnn(C)c2=S)cc1 1403677 MCXQIHVLMGGFBH-UHFFFAOYSA-N 205.286 2.249 0 40 BEAB CC(C)OC(=O)CCC(=O)N(C(C)C)C(C)C 1694356 XCCJHTUANVHLEA-UHFFFAOYSA-N 243.347 2.364 0 40 BEAB CCO[C@]1(C)C(=O)C(C)(C)[C@@]1(C)Cl 1722295 JONJCNNNZLUUAY-NXEZZACHSA-N 204.697 2.388 0 40 BEAB CSC(=S)NCCc1ccccc1 2018564 CHQKWKSZGCZEQE-UHFFFAOYSA-N 211.355 2.467 0 40 BEAB CC(C)(C)Nc1nc(Cl)nc(NC2CC2)n1 2530784 FHDFJPIRJCWFNA-UHFFFAOYSA-N 241.726 2.310 0 40 BEAB in-vitro Cc1nc(C(F)(F)F)c(-c2nc[nH]n2)s1 2557485 WGGLFBHKWDZGCX-UHFFFAOYSA-N 234.206 2.255 0 40 BEAB Cc1cc(N)n(-c2nc3ccccc3s2)n1 3172635 MAVWAUNAOWRFBW-UHFFFAOYSA-N 230.296 2.373 0 40 BEAB in-vitro C[C@@H](SCc1ccc(Cl)cc1)C(N)=O 7483521 HKHSQQUGCAINBW-SSDOTTSWSA-N 229.732 2.447 0 40 BEAB C/C=C\C=C1/C=Cc2c(C(=O)OC)coc(=O)c21 8652709 RFUJEBHESHKXKW-XBURUKCPSA-N 244.246 2.413 0 40 BEAB Cc1cnc(C2OCCO2)c2cccc(N)c12 13207842 CHTFMVQQJMQEST-UHFFFAOYSA-N 230.267 2.171 0 40 BEAB N#CNc1nnc(-c2ccc(Cl)cc2)o1 16429746 XEGPDWDNKFVSQL-UHFFFAOYSA-N 220.619 2.283 0 40 BEAB Nc1ccn(-c2ccc(Br)cc2)n1 19732212 GZDIUHKAZLMQFJ-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CSc1nccc(-c2c(C)noc2C)n1 20783237 CXJNTWDINDTASA-UHFFFAOYSA-N 221.285 2.470 0 40 BEAB CCOC(=O)c1ccc(C(=O)C(F)F)cc1 22004334 QYLCGOPGENPNRG-UHFFFAOYSA-N 228.194 2.311 0 40 BEAB C[C@H]1C(=O)NCCc2ccc(Cl)cc21 22011746 GWMXBSJNHZORGS-SSDOTTSWSA-N 209.676 2.116 0 40 BEAB in-vitro Cc1cccc(CNC(=O)c2ccccn2)c1 31107424 PWZYZDZREGHOCS-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB COc1ccccc1-c1nc(CO)cs1 32013843 WCLAEGSNLWNZQA-UHFFFAOYSA-N 221.281 2.311 0 40 BEAB CCCn1nccc1C(=O)N1CCC(C)CC1 32648433 JLTHUZFPBJZLSO-UHFFFAOYSA-N 235.331 2.165 0 40 BEAB Cc1ccc(C(C)C)c(O[C@H](C)C(N)=O)c1 33433533 MRCQWUYCKMYELL-SNVBAGLBSA-N 221.300 2.371 0 40 BEAB CCO/C=C/C(=O)C(F)(F)Br 34550283 IJKFVLQFHXEEEK-ONEGZZNKSA-N 229.020 2.093 0 40 BEAB O=C(NC1CCCCC1)N1CCSC1 35585841 KXZKTJIDVUDJLQ-UHFFFAOYSA-N 214.334 2.035 0 40 BEAB CC(C)c1nc(C(=O)O)nn1-c1ccccc1F 36879359 SXTVMFVDIXCXFW-UHFFFAOYSA-N 249.245 2.228 0 40 BEAB in-vitro O=C(O)[C@@H]1CCCN1Cc1cccc(F)c1F 36889029 JAFLOKLZEDKDEK-JTQLQIEISA-N 241.237 2.014 0 40 BEAB CC(=O)O[C@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2 38193324 HZJHUAKXMXQRMD-KKUMJFAQSA-N 245.322 2.037 0 40 BEAB CCCCNc1ccc(N)cc1C(=O)NC1CC1 39073019 PSVIRZWIWPBCSM-UHFFFAOYSA-N 247.342 2.373 0 40 BEAB CC[C@@H](C)C(=O)N[C@@H](C)Cc1ccco1 40074693 WMPBOUCRBQIJKZ-ZJUUUORDSA-N 209.289 2.373 0 40 BEAB Cc1cc(CN(C)C(=O)c2ccc(C)o2)no1 40087881 IMRINWMHQNIMEI-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB C[C@@H]1CN(Cc2cccc(F)c2)CCO1 40479423 SURLLSFQMZLPCF-SNVBAGLBSA-N 209.264 2.046 0 40 BEAB CC[C@@H](C)C(=O)Nc1nc(C(C)=O)cs1 41907517 MKOMCBPZMGLPJG-ZCFIWIBFSA-N 226.301 2.330 0 40 BEAB Cc1n[nH]c(C)c1CNCCc1ccsc1 42351577 UXMSIYMBWADYEY-UHFFFAOYSA-N 235.356 2.420 0 40 BEAB Fc1cc(F)cc(COC[C@H]2CCNC2)c1 42774029 ANMNCCYMSHEYKW-VIFPVBQESA-N 227.254 2.091 0 40 BEAB CCCS(=O)(=O)Nc1cccc(Cl)c1 45929349 ASSFDXDXTIRABA-UHFFFAOYSA-N 233.720 2.492 0 40 BEAB FC(F)=C(F)I 56961655 PZVZTKFRZJMHEM-UHFFFAOYSA-N 207.920 2.457 0 40 BEAB in-vitro CC(C)n1cc(Cl)nc(Cl)c1=O 62714130 NVTHHNOQMWSCIM-UHFFFAOYSA-N 207.060 2.131 0 40 BEAB O=C(O)c1cnc(/C=C/c2cccnc2)s1 65522432 NGLRLBSEJJCXGN-ONEGZZNKSA-N 232.264 2.407 0 40 BEAB O=C(O)c1nn2cc(-c3ccccc3)nc2s1 71559628 LXAWWKBZZWWYTB-UHFFFAOYSA-N 245.263 2.156 0 40 BEAB CC(=O)N1C[C@@H](C)CNc2ccccc21 71790377 WMBHINWRJXGBIE-VIFPVBQESA-N 204.273 2.101 0 40 BEAB in-vitro CCO[C@H]1CCCN(Cc2ccccn2)C1 71915720 QVJGVDQKZXUTAK-ZDUSSCGKSA-N 220.316 2.083 0 40 BEAB Nc1ccc(COC2CCCC2)c(C(=O)O)c1 72209177 MJBYYYNHMXEVCL-UHFFFAOYSA-N 235.283 2.426 0 40 BEAB CSCC[C@H](C)N(C)c1ccnc(C)n1 74770147 MSZQJHRZKKJWOY-VIFPVBQESA-N 225.361 2.363 0 40 BEAB CC(C)(C)OC(=O)NCCC(F)(F)F 74941780 GCJVFCJZMWUURS-UHFFFAOYSA-N 213.199 2.464 0 40 BEAB in-vitro CC(=O)Nc1ccc(Cn2ccnc2C)cc1 76637812 ZLZXIJWHTVKWNT-UHFFFAOYSA-N 229.283 2.198 0 40 BEAB CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@@H]1C 78441174 DHDRLWQEOCDJCH-YUMQZZPRSA-N 238.253 2.379 0 40 BEAB CC(C)C[C@H](CO)Nc1cccc(F)n1 78661357 LUINXYVQUTXEND-SECBINFHSA-N 212.268 2.040 0 40 BEAB Cc1ccc(CN(CC(=O)O)C(C)C)s1 82717661 DNAVDVSWKTXDCI-UHFFFAOYSA-N 227.329 2.352 0 40 BEAB CC(C)(C)OC(=O)NCCCC1CCNCC1 83749803 BCVMKVMKZSEQIX-UHFFFAOYSA-N 242.363 2.291 0 40 BEAB NC1(CC(=O)N2CCCCCCC2)CCC1 86853125 MTRHAUUDABBUSS-UHFFFAOYSA-N 224.348 2.051 0 40 BEAB COC(=O)C(=O)c1cc(Cl)ccc1C 95729562 OWCYKGSKKHNMRJ-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB Cc1noc(C)c1[C@@H](C)CNc1ncccn1 95973078 DGKOHINNKKJFNI-QMMMGPOBSA-N 232.287 2.297 0 40 BEAB CSC[C@@](C)(O)CNc1ccc(Cl)cn1 96453688 HMISSGGCCKLHCV-JTQLQIEISA-N 246.763 2.261 0 40 BEAB CC[C@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1 97047196 DYIZHOFSGISING-KGLIPLIRSA-N 247.338 2.067 0 40 BEAB NN[C@H](c1ccccc1)c1cccs1 161792849 GRAZDOLBKVQHBC-LLVKDONJSA-N 204.298 2.301 0 40 BEAB CC[C@](C)(OC)C(=O)Nc1ccc(OC)cc1 170228945 FNLWHZRUHPMQRW-ZDUSSCGKSA-N 237.299 2.449 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@@H]3[C@@H]([C@H]12)C3(C)C 225364252 OQKJKCCRSOBXLL-ITTXBHIMSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro COC1(CNCCc2ccccc2)CCOCC1 225616132 ZHORKSMMKXYHPS-UHFFFAOYSA-N 249.354 2.014 0 40 BEAB CN1[C@H]2CC[C@H](C[C@@H]3CCCNC3)[C@H]1CC2 242648917 RKQLJGHQRKPBDW-RFQIPJPRSA-N 222.376 2.249 0 40 BEAB COCc1nn(CC(C)C)cc1Cl 408715127 AQYNYBQQPXFETJ-UHFFFAOYSA-N 202.685 2.339 0 40 BEAB FC(F)c1ccc(N2CCNCC2)s1 575629318 QBNPZMXGEOAKHF-UHFFFAOYSA-N 218.272 2.095 0 40 BEAB c1ccc2c(OC3COC3)ccnc2c1 585651495 OQRLWDNPGMKDJC-UHFFFAOYSA-N 201.225 2.012 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1 60674 UZVRBGFSWNVIHK-VIFPVBQESA-N 234.299 2.173 0 40 BEAB Cc1cc(C)c2c(c1)c(C)cc1nnnn12 87181 KDLJROGXNGODEI-UHFFFAOYSA-N 212.256 2.203 0 40 BEAB CCCCSc1nnc(-c2ccco2)n1N 2695882 LHVANHIUXXAMKF-UHFFFAOYSA-N 238.316 2.144 0 40 BEAB CCC(=O)N[C@H](C)c1cc(OC)ccc1OC 6263696 FCYSWMIJCRNHIE-SECBINFHSA-N 237.299 2.291 0 40 BEAB Cc1ccccc1CN1CCC[C@H](C(=O)O)C1 6451548 PMQYQFAXHRNQCW-ZDUSSCGKSA-N 233.311 2.292 0 40 BEAB in-vitro CCOCCSc1ncn(-c2ccccc2)n1 6783956 QKXXTTLBRCSTBX-UHFFFAOYSA-N 249.339 2.396 0 40 BEAB CCCn1nnnc1NCc1sccc1C 7263292 JQPQVLGVTQSPQJ-UHFFFAOYSA-N 237.332 2.065 0 40 BEAB Cc1cc(NC(N)=S)ccc1Br 12505970 AXOOLCWORPVHEQ-UHFFFAOYSA-N 245.145 2.413 0 40 BEAB C[C@H](NC(=O)c1ccoc1)c1ccncc1 22622138 ZHEFICOBULQWGQ-VIFPVBQESA-N 216.240 2.166 0 40 BEAB O=C(NCC1CC1)[C@@H]1Cc2ccccc2S1 23174990 OLZCYHGGPAGNKZ-LBPRGKRZSA-N 233.336 2.230 0 40 BEAB CC(C)[C@@H](CNC(=O)Nc1ccccc1)N(C)C 24830455 MWKXLBOQIGWIIJ-CYBMUJFWSA-N 249.358 2.394 0 40 BEAB CN(C(=O)n1ccnc1)[C@H]1CCc2ccccc21 32779445 ORAJYHYOCZDAOF-ZDUSSCGKSA-N 241.294 2.471 0 40 BEAB CCc1noc(CSc2ccccn2)n1 36396559 AGJJXURIHMILHU-UHFFFAOYSA-N 221.285 2.319 0 40 BEAB CCCCN1C(=O)CN(c2ccccc2)C1=O 37606654 CLNYWSHRAVOKCW-UHFFFAOYSA-N 232.283 2.255 0 40 BEAB Clc1ccc([C@@H]2CNCCN2)c(Cl)c1 38531984 JXVBZOZKDYDRMX-JTQLQIEISA-N 231.126 2.227 0 40 BEAB N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 41028828 DZNJNOBGGIJDJQ-LLVKDONJSA-N 242.725 2.402 0 40 BEAB in-vitro NCC1CCN(c2nc3ccccc3s2)CC1 44514815 HCJHYIPKWYXQCB-UHFFFAOYSA-N 247.367 2.471 0 40 BEAB CC(C)CCN(Cc1nnnn1C1CC1)C1CC1 47912077 PVKMRJGXWPAINN-UHFFFAOYSA-N 249.362 2.019 0 40 BEAB O=C(O)/C=C/c1nc(C2CC2)n2ccccc12 49597246 OWUHNOOVJOSGKU-VOTSOKGWSA-N 228.251 2.310 0 40 BEAB CCOc1ccccc1CNC(=O)CC 53163100 IVAWCJGBYZGNPK-UHFFFAOYSA-N 207.273 2.112 0 40 BEAB COC[C@H](C)NC(=O)Nc1cc(F)ccc1C 58282839 SIFHBGDUXKAHAB-VIFPVBQESA-N 240.278 2.291 0 40 BEAB N#CNC(=N)Nc1ccc(Cl)c(Cl)c1 58836456 MJYKOMQXUSXXRM-UHFFFAOYSA-N 229.070 2.411 0 40 BEAB COC(=O)CCSCc1csc(C)n1 58850304 CIQQMPZSNIVTIK-UHFFFAOYSA-N 231.342 2.248 0 40 BEAB FC(F)(F)c1cccc(CNC2COC2)c1 71792164 HTWHDWQYMWLUND-UHFFFAOYSA-N 231.217 2.194 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C(C)(C)C 72208912 VUWSUDMNWJUZAL-DTWKUNHWSA-N 230.352 2.273 0 40 BEAB Cc1[nH]c(=S)ccc1[C@@H]1CCCN1C=O 72218367 SJCZUIJRQSSCLT-JTQLQIEISA-N 222.313 2.346 0 40 BEAB Cc1cc(NC(=O)[C@H]2CCCN2)ccc1Cl 72328592 UBSCXHRCZMXSJJ-LLVKDONJSA-N 238.718 2.339 0 40 BEAB CCc1cc(C)n(CCCOC)c1C=O 78405119 MADAKFNVVJHXRZ-UHFFFAOYSA-N 209.289 2.208 0 40 BEAB CN(C[C@@H]1CCOC1)c1cnc2ccccc2n1 79017276 LFWRFYAVLYVUGN-NSHDSACASA-N 243.310 2.103 0 40 BEAB CS(=O)(=O)c1ccc(C=O)c2ccccc12 85391000 PRQJKHJYFXTZIL-UHFFFAOYSA-N 234.276 2.056 0 40 BEAB COc1c(F)cc(Br)cc1CO 91297242 YGMACJKTPMUUGR-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CC[C@@H](O)CN1CCCC[C@@H]1CCOC(C)C 95415733 ZIBLZWALEBXVSQ-ZIAGYGMSSA-N 243.391 2.427 0 40 BEAB COc1ccc([C@H](O)c2cccn2C)c(OC)c1 95727736 QJUHDKUDCRGIDF-AWEZNQCLSA-N 247.294 2.124 0 40 BEAB COc1ccc([C@@H](O)c2cccn2C)cc1F 95727788 IUDKEUQXRIWGNB-CYBMUJFWSA-N 235.258 2.255 0 40 BEAB CN(C)c1ccccc1N(C)C[C@H]1CCOC1 95975841 XPBUUYWOVCOHQQ-GFCCVEGCSA-N 234.343 2.225 0 40 BEAB CC[C@H](C[C@@H](C)CO)Nc1cccc(F)n1 96436786 GTTOLSAKFIFOCH-NXEZZACHSA-N 226.295 2.430 0 40 BEAB Cc1cs/c(=N/c2ccccc2)n1CCO 101050604 LOXFKQXUZQDMGR-OUKQBFOZSA-N 234.324 2.083 0 40 BEAB Brc1cccc([C@]23CNC[C@@H]2C3)c1 103642756 SGZGYHORYYBOLQ-ONGXEEELSA-N 238.128 2.310 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 103892525 VUPXFCMAVVIOEV-XZFDJGEYSA-N 244.334 2.463 0 40 BEAB CC(C)Oc1cncc(NCc2ccncc2)n1 130624483 CYNIBKMLINAKMQ-UHFFFAOYSA-N 244.298 2.271 0 40 BEAB COc1ccc2oc(CN(C)C[C@H](C)O)cc2c1 130809894 PLXHGMORVUGBRZ-JTQLQIEISA-N 249.310 2.254 0 40 BEAB CC[C@H](C)N1CCN(c2cc(C3CC3)n[nH]2)CC1 192832327 WZHDNTHRYNERQR-NSHDSACASA-N 248.374 2.208 0 40 BEAB COC[C@@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 195550385 RKKDJOJSSLBGMY-UTUOFQBUSA-N 239.359 2.376 0 40 BEAB CCCc1ccc(CNC[C@@H]2CCCO2)[nH]1 226020535 ZSAWJAGTMIRBLS-ZDUSSCGKSA-N 222.332 2.236 0 40 BEAB CCNCCO[C@H]1CC[C@]12CCC21CC1 242437344 BZVWUBCXQPNHJR-AAEUAGOBSA-N 209.333 2.335 0 40 BEAB O=C1C[C@@H]2[C@@H]3C=C(Br)[C@H]4[C@H]3C[C@H]2[C@@H]14 245285147 WAWOSPOONYNJAN-DHEQPETQSA-N 239.112 2.366 0 40 BEAB Cc1ccc([C@@H](C)O[C@H]2CCNC2)c(C)n1 252488750 IXXRNOQIHCRCST-NEPJUHHUSA-N 220.316 2.138 0 40 BEAB CC(C)OC(=O)c1cccnc1OC(C)C 341836686 SFRXZPKBJWCOQT-UHFFFAOYSA-N 223.272 2.434 0 40 BEAB CCCCC/C=C(/C(=O)OC)[C@@H](C)C(=O)O 2048392577 HNHQCIXRJRJOHM-NCXKZPMSSA-N 228.288 2.387 0 40 BEAB Cc1noc2c1CC(=O)c1ccccc1OC2 1613439 ZNASYAWUXVEESX-UHFFFAOYSA-N 229.235 2.301 0 40 BEAB O=C(O)Cc1ccc(C2CCC(O)CC2)cc1 1747998 XUPRBRZHWIMBRP-UHFFFAOYSA-N 234.295 2.332 0 40 BEAB CC(C)N(Cc1ccccc1)C(=O)/C=C/C(=O)O 2272744 MBTRRCSFQMFEPP-CMDGGOBGSA-N 247.294 2.064 0 40 BEAB O=C(c1ccc(Cl)nc1)c1ccccn1 2392666 HEVOJFGATKQKNS-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB COC(=O)CC(=O)c1ccc(C)c(C)c1 2574188 NPYPTOMABNEIIV-UHFFFAOYSA-N 206.241 2.049 0 40 BEAB CCN(CC)C(=O)COc1ccc(C(C)=O)cc1 3374746 HVIBYRYGXOHRIT-UHFFFAOYSA-N 249.310 2.136 0 40 BEAB O=C(Nc1nnc(S)s1)c1ccccc1 4072051 AUMOOOLWZQSMNH-UHFFFAOYSA-N 237.309 2.079 0 40 BEAB CSc1ccc(-c2nnc(NC(C)=O)o2)cc1 4585606 WMAJKURIYWZTOX-UHFFFAOYSA-N 249.295 2.417 0 40 BEAB CC(=O)[C@@]1(O)C[C@H]2CCC3=C(CCC(=O)C3)[C@@H]2C1 4991461 NKGSERXUBLTSHZ-KCPJHIHWSA-N 248.322 2.176 0 40 BEAB CN(C)c1cccc(C(=O)NC(C)(C)C)c1 5260891 MVZGOYNIRNNJHD-UHFFFAOYSA-N 220.316 2.281 0 40 BEAB Cc1csc(NC(=O)c2ccccc2N)n1 5615787 SCXWLJBIZKSOAS-UHFFFAOYSA-N 233.296 2.286 0 40 BEAB CCOc1ccc2[nH]c(C(=O)OC)c(C=O)c2c1 8325029 CHYUNWGEUQNNKL-UHFFFAOYSA-N 247.250 2.166 0 40 BEAB CC/C=C(/C)C1(CCC)C(=N)NC(=O)NC1=N 8637533 SOEOMFYZBWZTAX-VURMDHGXSA-N 236.319 2.397 0 40 BEAB C[C@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)N1 8702475 QESTVEVMZBMELA-IUCAKERBSA-N 239.750 2.109 0 40 BEAB Cc1ccccc1Nc1ncc(C(=O)O)cn1 8702901 QSDDCDAATPCVLJ-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB CC(C)[C@@H](C(=O)O)n1cnc2ccccc21 10382584 WOKGHWATADTGIN-NSHDSACASA-N 218.256 2.318 0 40 BEAB O=C(Sc1ncc[nH]1)c1ccccc1 11535756 ZIDJGRCIVFELJW-UHFFFAOYSA-N 204.254 2.342 0 40 BEAB CCN(CC)CCOc1ccc(C(=O)O)cc1 11957989 RFZUHDIOOUSIQT-UHFFFAOYSA-N 237.299 2.105 0 40 BEAB Cc1nc(NC(=O)[C@@H]2C[C@@H]2C)sc1C 13021333 FIRYCVGSZAANRZ-YLWLKBPMSA-N 210.302 2.354 0 40 BEAB Fc1ccc(OC[C@H]2CCCCN2)cc1 19504008 HFUVMKWNXZYIJJ-LLVKDONJSA-N 209.264 2.347 0 40 BEAB O=C(Cc1cccc(F)c1)N1CCCCC1 19934906 RPVCIKSAGUQBSZ-UHFFFAOYSA-N 221.275 2.381 0 40 BEAB COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1N 20155906 CAMJHPOHLHDUFE-JTQLQIEISA-N 248.326 2.292 0 40 BEAB CN(CCCN)c1ccc(Br)cc1 20239257 YCJHCUPHRBHAEW-UHFFFAOYSA-N 243.148 2.234 0 40 BEAB Cc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)O 21951219 CQNZFMNCMRSHAK-GFCCVEGCSA-N 247.294 2.074 0 40 BEAB in-vitro COC(=O)c1[nH]c2cccc(C)c2c1NC(C)=O 22864656 FGAUIJJTORBEBA-UHFFFAOYSA-N 246.266 2.221 0 40 BEAB COC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1 30769219 BADJSPVKQVQEBK-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB COCCCNc1nc(Cl)cc(Cl)n1 34113580 AHKFTFLEGLFRIE-UHFFFAOYSA-N 236.102 2.232 0 40 BEAB CN(C)[C@H](C(=O)O)c1cccc(C(F)(F)F)c1 37358414 HAPWJZPZKWIJFS-VIFPVBQESA-N 247.216 2.393 0 40 BEAB COc1ccc(C=O)c(OCc2cccnc2)c1 40432878 IKZAIOIDPHCEFB-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB in-vitro Fc1ccc2ncnc(NC3CC3)c2c1 41470856 MASZTMRCUWDKKM-UHFFFAOYSA-N 203.220 2.343 0 40 BEAB COc1cccc([C@@H](N)C(F)(F)F)c1 43463899 SAIVQMCRUQATAG-MRVPVSSYSA-N 205.179 2.257 0 40 BEAB Brc1ccnc(N2CCCC2)c1 44118476 POSHCKSYISAKHI-UHFFFAOYSA-N 227.105 2.444 0 40 BEAB in-vitro CCOC(=O)CCCc1ccccc1O 45328543 PMAGNPUYRNUCQU-UHFFFAOYSA-N 208.257 2.278 0 40 BEAB CC(=O)Cc1nc(-c2cccc(C)c2)no1 45918720 SKQBFNVAHFRZMJ-UHFFFAOYSA-N 216.240 2.177 0 40 BEAB CCNC(=O)Cc1nc(-c2ccccc2)oc1C 49088654 KMEAUTGAZXYJHK-UHFFFAOYSA-N 244.294 2.329 0 40 BEAB C[C@H]1CN(c2ncc(Cl)cc2Cl)CCN1 52783336 HQXVJMLVRKCXPJ-ZETCQYMHSA-N 246.141 2.187 0 40 BEAB CCc1noc(CN2CCCC[C@@H]2CC)n1 58283194 RPKPDZWWELXKDR-JTQLQIEISA-N 223.320 2.397 0 40 BEAB O=C(O)CCc1csc2nc(C3CC3)cn12 61968124 FCCDIAWXVKMIMN-UHFFFAOYSA-N 236.296 2.290 0 40 BEAB in-vitro CSCC[n+]1c(N)sc2cc(F)ccc21 61968166 KOUZQPHVWFXLGJ-UHFFFAOYSA-O 243.352 2.273 0 40 BEAB Nc1cnn(Cc2ccc(Cl)c(F)c2)c1 71978758 AXVVPKFPGSPZGW-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB CNCc1cnc(N2CCCCC2)c(C)c1 72222470 NYVJUUOSGVZSJE-UHFFFAOYSA-N 219.332 2.100 0 40 BEAB COc1ccc(OCC2CCN(C)CC2)cc1 72367683 JVCROIHPRAVFMF-UHFFFAOYSA-N 235.327 2.416 0 40 BEAB CC[C@](C)(NCCCO)c1nc(C)cs1 72863359 HMOVWNYLYNWACB-NSHDSACASA-N 228.361 2.049 0 40 BEAB C[C@@H](CO)CSCc1nnc(C(C)(C)C)o1 75148447 VSGBEDGHDFBZCN-QMMMGPOBSA-N 244.360 2.229 0 40 BEAB Nc1cccc(COc2ccccc2)n1 78723060 XHPUJNMKLIDQHH-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB CNCCc1c(C)[nH]c2ccc(OC)cc12 82597240 JUQZIJHTZDIOFC-UHFFFAOYSA-N 218.300 2.247 0 40 BEAB O=C(O)CCc1ccc2c(c1)OC(F)(F)O2 83071133 MQYASWNSYMYWRG-UHFFFAOYSA-N 230.166 2.025 0 40 BEAB O=C(c1cnccn1)N1CCC2(CCCCC2)C1 89884818 ANLSFDUMUIRJMP-UHFFFAOYSA-N 245.326 2.273 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 91304486 AEHTXFBIDXJCIR-ZACCUICWSA-N 241.331 2.014 0 40 BEAB O=c1o[nH]c2c1cnc1c(Cl)cccc12 100889153 JQHUBJQUWGLGJK-UHFFFAOYSA-N 220.615 2.323 0 40 BEAB Cc1nc(C)c(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)o1 102036220 OZLBVOGJMVJMBC-UWVGGRQHSA-N 234.299 2.019 0 40 BEAB CCN(CC)CCN(C)[C@@H]1C[C@H]2CC[C@H]1C2 104835427 OVTHEYGGMFSAIR-MELADBBJSA-N 224.392 2.449 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@H](CO)C1 195575818 YLGDVAQFCQCMOB-BFHYXJOUSA-N 223.360 2.293 0 40 BEAB CNC(=S)N(C[Si](C)(C)C)C(C)C 195893927 UTRYGLIIUXNVFK-UHFFFAOYSA-N 218.442 2.079 0 40 BEAB O=C(O)c1nc2c(F)cc(F)cc2s1 199772584 ULBYPXJQIXDVAP-UHFFFAOYSA-N 215.180 2.273 0 40 BEAB Cc1ncc(-c2noc(-c3ccco3)n2)cn1 216619947 GPLUNCRHEIRLAF-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB Cc1cc(C)n2nc(-c3ccccn3)cc2n1 219781702 DXGVTCXUQFXYNY-UHFFFAOYSA-N 224.267 2.408 0 40 BEAB Cc1ccc(OCC2CC(F)(F)C2)nn1 585651002 IBGQWUIAZKSLBR-UHFFFAOYSA-N 214.215 2.209 0 40 BEAB CCOC(=O)c1cc(N)c(OC)c(Cl)c1 1083805125 ZRKSOIUBGZNSES-UHFFFAOYSA-N 229.663 2.108 0 40 BEAB O[C@@]1(C(F)(F)F)CCCc2ncccc21 1772715306 SXVFVSWRZWJESD-VIFPVBQESA-N 217.190 2.168 0 40 BEAB Cc1ncnc(C(=O)Nc2ccc(F)cc2)c1C 1888857250 UMFJEYDZTQISSL-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB N#CNc1nc(Cl)nc(Nc2ccccc2)n1 270855 IJGIIYCSHNQMCA-UHFFFAOYSA-N 246.661 2.162 0 40 BEAB CCOP(=O)(CC(=O)C1CC1)OCC 1642208 MEOUMIDMNOIQIQ-UHFFFAOYSA-N 220.205 2.232 0 40 BEAB CCCCN(CCCC)C(=O)CC(C)=O 1684784 QYIYWUBFHJEWPO-UHFFFAOYSA-N 213.321 2.394 0 40 BEAB c1ccc2c(CCNC3=NCCC3)c[nH]c2c1 4211278 UMHAKQRJJKMJOY-UHFFFAOYSA-N 227.311 2.492 0 40 BEAB C[C@H]1CCCN(C(=O)COc2ccccc2)C1 5529189 ADEMQGDTKYROSC-LBPRGKRZSA-N 233.311 2.324 0 40 BEAB COCCCCOc1ccc(C)cc1N 8702585 UMYOPMLIOCQPSV-UHFFFAOYSA-N 209.289 2.383 0 40 BEAB O=C(C1CCCCC1)N1CCCC[C@H]1CCO 11639138 HMPPGLMLUIZMRM-ZDUSSCGKSA-N 239.359 2.330 0 40 BEAB CC(C)[C@H](C(=O)O)N1C[C@H](C)C[C@@H](C)C1 11864820 GOUFZXZRYVCGNY-GMTAPVOTSA-N 213.321 2.074 0 40 BEAB O=C(O)c1cn(CC(F)(F)F)nc1C1CC1 12395176 TVPKQBSBOOLIDY-UHFFFAOYSA-N 234.177 2.021 0 40 BEAB O=C(O)CN1CCC[C@H]1c1ccc(F)cc1 12397281 YHHQVPJUXBGVQB-NSHDSACASA-N 223.247 2.047 0 40 BEAB CN(Cc1ccc(C(N)=O)cc1)c1ccccc1 12539526 RKULLBOPVYCKDU-UHFFFAOYSA-N 240.306 2.422 0 40 BEAB CCCNC(=O)c1ccc(-n2cccn2)cc1 12861811 ZDOYYZRZQPEAKX-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB ClC1(Cl)C[C@H]1CSc1ncn[nH]1 17971912 PYPBYLSMSOWIFU-BYPYZUCNSA-N 224.116 2.091 0 40 BEAB CN(Cc1ccccc1)c1ncccc1CN 19279039 PRKJIFJPSQDOMC-UHFFFAOYSA-N 227.311 2.177 0 40 BEAB Nc1ccccc1CC(=O)Nc1ccccc1 20186383 APUJLXFMSZXCOL-UHFFFAOYSA-N 226.279 2.450 0 40 BEAB CCNc1nc(-c2cccc(OC)c2)no1 21922467 IYUKQOQVJVUFFT-UHFFFAOYSA-N 219.244 2.177 0 40 BEAB Cc1csc(CNC(=O)/C=C/c2ccco2)n1 29888036 IKXRATJTLRCFAF-SNAWJCMRSA-N 248.307 2.374 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)c2cccnc2)o1 32721737 XYKQKEJGDCYQIX-SNVBAGLBSA-N 230.267 2.474 0 40 BEAB Cc1cccc(C(=O)N2CCC(C)CC2)n1 32909213 KIHZVVSRNFFDHI-UHFFFAOYSA-N 218.300 2.262 0 40 BEAB O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1 34214951 NHXPAMGWDIVOJR-IUCAKERBSA-N 224.643 2.243 0 40 BEAB COC(=O)[C@H](O)c1c(Cl)cccc1Cl 34511152 YTXDYJZMRKNVTQ-MRVPVSSYSA-N 235.066 2.200 0 40 BEAB C=CC(=O)Nc1ccc(OC)c(Cl)c1 36334184 LUDGSODUXQZARC-UHFFFAOYSA-N 211.648 2.473 0 40 BEAB C[C@@H](O)c1nc2cc(Cl)ccc2n1C 40417035 STBMZERUSIPFTB-ZCFIWIBFSA-N 210.664 2.280 0 40 BEAB in-vitro CC1CCN(C(=O)C(C)(C)Br)CC1 41698029 NESQEHCYSBCTJO-UHFFFAOYSA-N 248.164 2.418 0 40 BEAB Cc1cc(NC(=O)c2ccc(F)cc2F)[nH]n1 42651935 CHDNXDFKOJJYDQ-UHFFFAOYSA-N 237.209 2.249 0 40 BEAB O=C(O)c1cc(F)cc(OC(F)F)c1 47203368 IAUOGCKRYWZGMC-UHFFFAOYSA-N 206.119 2.125 0 40 BEAB CCCN(CCC)CC(=O)OC(C)C 49750786 QDFSAWYUMXCSIP-UHFFFAOYSA-N 201.310 2.060 0 40 BEAB CCOC(=O)Cc1cc(Cl)ccc1OC 49821272 LZWYTJLQTXARCN-UHFFFAOYSA-N 228.675 2.454 0 40 BEAB CN1C(=O)CCc2cc(Br)ccc21 49830014 NJZZUBLIVYKUJM-UHFFFAOYSA-N 240.100 2.358 0 40 BEAB in-vitro C1=CC[C@@H](CNCCCn2ccnc2)CC1 49947050 PNJMXWRDRVOQKU-CYBMUJFWSA-N 219.332 2.219 0 40 BEAB CC(C)c1nnc(-c2ccccc2N)o1 50308845 KTZNOCVUHQZJMQ-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB NCc1cc(OCc2ccccc2)ccn1 51523241 AHSTYWKFBZIPLI-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB COc1ccc([C@H]2CCC[C@@H]2O)cc1F 55264942 XFUKOCCOUGAMSU-KOLCDFICSA-N 210.248 2.463 0 40 BEAB CNC(=O)c1ccc(Nc2ccc(C)cc2)nc1 57529721 BOFNXZNGEGIICV-UHFFFAOYSA-N 241.294 2.493 0 40 BEAB Cc1ccc(C(=O)Nc2ccn(C)n2)c(C)c1 57536158 HZSDPECNJUZKCC-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CN(CCOc1ccccc1)C[C@@H]1CCCO1 57993724 POMCSCBFLFPALE-AWEZNQCLSA-N 235.327 2.176 0 40 BEAB Cc1nc(/C=C/C(=O)N2CCCC2)cs1 58296038 CJIPSSTWELJHBN-SNAWJCMRSA-N 222.313 2.087 0 40 BEAB FC(F)(F)c1cccc(C2=CCNCC2)n1 60015336 IQNPGWQUCDKRIY-UHFFFAOYSA-N 228.217 2.477 0 40 BEAB NC[C@@H](CO)Cc1ccc(Cl)cc1Cl 62711352 RMAMWSSMTRIQPG-ZETCQYMHSA-N 234.126 2.103 0 40 BEAB CC(=O)Nc1cnc(Oc2ccccc2F)nc1 75172122 XKDWWAIIIIRCMU-UHFFFAOYSA-N 247.229 2.366 0 40 BEAB CC(=O)[C@H]1C[C@H](c2cccc(F)c2)OC1=O 77333128 CFOCFKDZKICAPN-GHMZBOCLSA-N 222.215 2.019 0 40 BEAB CCS(=O)(=O)c1cccc(Cl)c1 78978786 VQCQFHGGMQHIKU-UHFFFAOYSA-N 204.678 2.134 0 40 BEAB Cc1cccc(CN)c1Br 83343316 ULOIPAJCWMRHIW-UHFFFAOYSA-N 200.079 2.216 0 40 BEAB CC(C)n1c([C@H](C)N)nc2cnccc21 84132686 HJAMHJUOVAXGMO-QMMMGPOBSA-N 204.277 2.032 0 40 BEAB C[C@H]1C[C@@H]1c1ccc(CNC(=O)C2CC2)o1 84688991 IQMZEYDKCVLGQZ-KWQFWETISA-N 219.284 2.429 0 40 BEAB Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)oc1C 89606837 GHFILLIQJLFBQR-AWEZNQCLSA-N 249.310 2.149 0 40 BEAB O=C(Nc1ncc(Cl)s1)C1=CCCCO1 89764833 FVFHKTRAEXJDRZ-UHFFFAOYSA-N 244.703 2.429 0 40 BEAB O=C1NCCC[C@H]1Cc1ccccc1Cl 96300653 XKDPJVJYJGYBLU-JTQLQIEISA-N 223.703 2.409 0 40 BEAB in-vitro CCOc1cccc(CS[C@H](C)[C@H](C)O)n1 96501861 RTIVVQCNMHZMME-VHSXEESVSA-N 241.356 2.483 0 40 BEAB Cc1cc(O)ccc1NC(=O)Nc1cnn(C)c1 97104716 UWYRFBQMIDBDPZ-UHFFFAOYSA-N 246.270 2.078 0 40 BEAB O=C(COCC1CC1)OC1CCCCC1 97363918 BROAYOSSURBRAT-UHFFFAOYSA-N 212.289 2.289 0 40 BEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCCC1)CC2=O 100640153 DYEOYMXPFGTZNY-HUUCEWRRSA-N 249.354 2.394 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC[C@H](C)O 131758100 YPLFTNWYFSSQHA-YVECIDJPSA-N 213.365 2.418 0 40 BEAB CCOC(=O)c1snnc1-c1cccs1 223844676 ICWBMTHHVJILPV-UHFFFAOYSA-N 240.309 2.443 0 40 BEAB COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccn1 225427585 XILYHENRCOTOGI-WZRBSPASSA-N 248.326 2.074 0 40 BEAB Nc1ccc(Cl)nc1OCC(F)(F)F 228448430 FLEQZVCGXZZXTI-UHFFFAOYSA-N 226.585 2.258 0 40 BEAB COC(=O)c1cccc(C(=O)C2CC2)c1 257822328 DQJCEYGXMAUYGP-UHFFFAOYSA-N 204.225 2.066 0 40 BEAB N=c1[nH]cnc(Cl)c1-c1ccc(F)cc1 382739961 HKAAUVDRVFXXCM-UHFFFAOYSA-N 223.638 2.349 0 40 BEAB c1cnc(CNc2nc3cnccc3s2)nc1 703279294 AJGPENWQKIFHFH-UHFFFAOYSA-N 243.295 2.093 0 40 BEAB Cc1cc(C)nc(N2CCC[C@H](CF)C2)n1 882800619 HASMFLAXUJDCOA-LLVKDONJSA-N 223.295 2.279 0 40 BEAB C[C@H]1N(CCC(N)=O)c2ccccc2C1(C)C 52128 KHEWCDYWAJRYGB-SNVBAGLBSA-N 232.327 2.048 0 40 BEAB biogenic CC[C@@H](C)NC(=O)c1cccc(OC)c1OC 496426 IGPIGTFEMKOINB-SECBINFHSA-N 237.299 2.232 0 40 BEAB CN(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 519780 WHXFRZFXDOAEFB-MISXGVKJSA-N 239.359 2.306 0 40 BEAB Oc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1 1562353 UOVJTKPKLLKRDE-UHFFFAOYSA-N 244.279 2.184 0 40 BEAB CC(=O)O[C@@H]1CCC[C@@H](OCC(C)C)O1 1677131 ZKOSHQJCKQMIQJ-QWRGUYRKSA-N 216.277 2.075 0 40 BEAB CCOC(=O)[C@H](OCC)c1ccccc1 1707352 PDXJOUJGAZJMKA-LLVKDONJSA-N 208.257 2.327 0 40 BEAB biogenic Clc1cc(NCc2ccco2)ncn1 1736381 STRGJGAQEVTISA-UHFFFAOYSA-N 209.636 2.335 0 40 BEAB in-vitro [O-][n+]1c(-c2ccccc2)cn2ccccc21 1866260 CCAKTJGKEMGVLS-UHFFFAOYSA-N 210.236 2.240 0 40 BEAB Cc1cc(C)nc(SC(=O)c2cccnc2)n1 3074232 VRDTUVWQCHUJBC-UHFFFAOYSA-N 245.307 2.421 0 40 BEAB N=C(N)SCc1cc2c(cc1Cl)OCO2 4777616 YLDCOWBPDHFRIF-UHFFFAOYSA-N 244.703 2.195 0 40 BEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)CS1 4893324 BIXRBYVMLQQWKE-JTQLQIEISA-N 227.716 2.376 0 40 BEAB CC(=O)Oc1cc2c3c(c1)CCCN3CCC2 5138071 GPVVHKXOTQDZOK-UHFFFAOYSA-N 231.295 2.311 0 40 BEAB O=C(O)/C=C\c1ccc(OC(F)F)cc1 6132666 OWLKYWTYLFJOGX-UTCJRWHESA-N 214.167 2.386 0 40 BEAB NC(=O)[C@H](Sc1ccccn1)c1ccccc1 11334999 RCASSAXPHBGWPA-GFCCVEGCSA-N 244.319 2.400 0 40 BEAB COc1ccc(/C=C2\SC(=O)N=C2N)cc1 12732455 CTVHFEWYCVIRFB-TWGQIWQCSA-N 234.280 2.260 0 40 BEAB Cc1cc(C)cc(NC(=O)Cn2cccn2)c1 12888395 KMCKYGYPFPRGAO-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB CNC(=O)c1ccc(-c2ccccc2)nc1 13466589 NAEYGPOLCURQPN-UHFFFAOYSA-N 212.252 2.108 0 40 BEAB Cc1ccc(N[C@H]2C[C@@H](C)NC(S)=N2)cc1 13686457 DTYOZCJJILFVHX-MWLCHTKSSA-N 235.356 2.401 0 40 BEAB COc1cccc2[nH]cc(CCC(=O)O)c12 20269223 PWDUYZGLPFELQC-UHFFFAOYSA-N 219.240 2.194 0 40 BEAB CN(c1ncccc1N)C1CCCCC1 20317327 IIKQGZSXPXKCQU-UHFFFAOYSA-N 205.305 2.433 0 40 BEAB Cc1csc(CNC(=O)c2ccc(C)n2C)n1 21482991 HMRDMGZPEPSLIU-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB NCC1(c2ccc3c(c2)OCO3)CCCC1 26514627 SBSKIHXCZWXAHH-UHFFFAOYSA-N 219.284 2.186 0 40 BEAB CCn1nc(C)cc1NC(=O)c1ccoc1C 28305669 HOHKMCMXFQFGJA-UHFFFAOYSA-N 233.271 2.365 0 40 BEAB Cc1ccoc1C(=O)N1CCC(C)CC1 32843940 WENSPKBNIHZYFG-UHFFFAOYSA-N 207.273 2.460 0 40 BEAB O=C(COc1cccc(F)c1)N1CCCCC1 32942961 KIRRZLGMOKJSEQ-UHFFFAOYSA-N 237.274 2.217 0 40 BEAB Cn1cccc1C(=O)Nc1ccc2c(c1)CCO2 40068279 RBYTXNMDJNWYLM-UHFFFAOYSA-N 242.278 2.212 0 40 BEAB O[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 40460797 UZLUUALBTKRABY-SNVBAGLBSA-N 248.351 2.253 0 40 BEAB COCC(=O)Nc1ccc(OC(C)C)cc1 40870128 LJEZFFUJDYFVGC-UHFFFAOYSA-N 223.272 2.059 0 40 BEAB CCOC(=O)CC(=O)c1cccc(OCC)c1 43501775 UNZNZISUORKJOS-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1O 52000851 NTZKHITWYBDGJJ-UONOGXRCSA-N 247.338 2.039 0 40 BEAB COC1CCN(Cc2ccccc2)CC1 53906844 IABRWNCNXNVZKF-UHFFFAOYSA-N 205.301 2.297 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)N[C@H](C)CO 58342198 WRQQVRLYKNFSKJ-MRVPVSSYSA-N 242.706 2.151 0 40 BEAB C[C@H](O)[C@@H](CCCc1ccccc1)C(=O)O 59705277 LXZZBKVFUSJZKV-CMPLNLGQSA-N 222.284 2.091 0 40 BEAB in-vitro OC[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 62720286 MABXRCHMDRJYEJ-SCZZXKLOSA-N 214.211 2.384 0 40 BEAB CC[C@@H](C(=O)N1CCN[C@H](C)C1)c1ccccc1 67800413 MORJXNXBCOPEET-TZMCWYRMSA-N 246.354 2.001 0 40 BEAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cnccn1 72187586 YRNPTINPQLYNBM-LLVKDONJSA-N 233.315 2.186 0 40 BEAB Clc1ccc(CN[C@H]2CCNC2)cc1Cl 72203644 QQGBVEVFLBEWKI-VIFPVBQESA-N 245.153 2.445 0 40 BEAB Cc1cc(N2CCCCC2)ncc1[C@@H](C)N 72223503 VMYKZNSLHJFKDM-LLVKDONJSA-N 219.332 2.400 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@H](C)N 72224524 HLYRKPZWHQMBGA-VIFPVBQESA-N 205.305 2.010 0 40 BEAB CCc1nccn1-c1cccc([C@@H]2CCCN2)n1 72344155 ZITNPSJKKCBAJO-NSHDSACASA-N 242.326 2.254 0 40 BEAB CC(C)(C)C(=O)Nc1ccccc1C=O 75606287 DCEAFUXGCPVNSW-UHFFFAOYSA-N 205.257 2.484 0 40 BEAB CCOCCC(=O)NCCc1cc(C)cc(C)c1 76368826 KJTTVIMATHDZTI-UHFFFAOYSA-N 249.354 2.389 0 40 BEAB CCC[C@@](C)(NC1CCSCC1)C(=O)O 83404415 NBKIQEFANCSMMH-LLVKDONJSA-N 231.361 2.115 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCc1cc(F)ccc1F 84686909 GYWCRMAOCIDPNC-XCBNKYQSSA-N 225.238 2.237 0 40 BEAB CCCCOc1cc(C(N)=O)ccc1C 85262540 DFCXNSHFPKQIFB-UHFFFAOYSA-N 207.273 2.273 0 40 BEAB CCOC(=O)[C@H](C)C(=O)c1ccccc1OC 85396777 GIPVEPYDGKDABQ-SECBINFHSA-N 236.267 2.077 0 40 BEAB CO[C@@H](C(=O)O)c1ccccc1C(F)(F)F 87493456 VXDPCJPQYLKGFL-MRVPVSSYSA-N 234.173 2.478 0 40 BEAB CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 89721546 QXWDGDNNAWYGOM-JTQLQIEISA-N 224.329 2.307 0 40 BEAB FC(F)c1nnc(N2CCCCC2)s1 89819169 LKVJLZRQOUZNLB-UHFFFAOYSA-N 219.260 2.466 0 40 BEAB O=C(O)Cc1ccc(F)cc1OC(F)(F)F 91252021 FXCYHVBZPAWHHJ-UHFFFAOYSA-N 238.136 2.351 0 40 BEAB CCOc1cccc(C2([C@@H](C)O)CC2)c1 95739185 SFRNYIZIMOIBKH-SNVBAGLBSA-N 206.285 2.498 0 40 BEAB COc1ccc(F)cc1[C@@](C)(O)C1CC1 96543381 HTIBOEDSJRFFJL-LBPRGKRZSA-N 210.248 2.452 0 40 BEAB CC(=O)C[C@H]1C(=O)N(c2ccccc2)N=C1C 100988305 FYEJDZMCBMJDAK-GFCCVEGCSA-N 230.267 2.004 0 40 BEAB FC(F)(F)c1ccn(Cc2cccnc2)n1 129146174 IONJKIVWOKSDDE-UHFFFAOYSA-N 227.189 2.345 0 40 BEAB CCc1[nH]nc(N[C@H](C)CCn2cccn2)c1C 159302802 XXGRMEKQOKZHNS-SNVBAGLBSA-N 247.346 2.368 0 40 BEAB C[C@H]1CCC[C@H](CCn2ncccc2=O)C1 195417879 RZIXIEBXGSTWQJ-NWDGAFQWSA-N 220.316 2.460 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 225449444 BCXDKAVVMHYQOS-WNJXEPBRSA-N 203.163 2.126 0 40 BEAB CC(C)(C)OC(=O)NC1[C@H]2CC=CC[C@@H]12 225753823 XLYHXOPCEVMQKC-ULKQDVFKSA-N 209.289 2.476 0 40 BEAB CC(=O)Oc1cccc2occ(C(=O)O)c12 225759057 DURSMZCZIREHJP-UHFFFAOYSA-N 220.180 2.056 0 40 BEAB c1ccc([C@H]2COC3(CCNCC3)C2)cc1 238098683 GNVPYMIJYSFKIB-CYBMUJFWSA-N 217.312 2.313 0 40 BEAB C[C@H]1CC[C@H]1Cn1cc(Br)c(N)n1 242463776 DLDLHUVIVGWEBV-BQBZGAKWSA-N 244.136 2.274 0 40 BEAB CC(=O)OCC(=O)c1ccc(F)c(Cl)c1 382697729 LWLZNWNLKIGBSG-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB Cn1c2ccc(Cl)cc2c2ncnc(NN)c21 408712437 DDUPYQSUAFHMOE-UHFFFAOYSA-N 247.689 2.061 0 40 BEAB COc1cc(F)ccc1[C@@H](O)C(F)(F)F 1536101985 GEBYGTZGZLDPHT-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB COC(=O)c1cc(-c2ccccc2OC)no1 266338 CAFSWSWTZSSWHY-UHFFFAOYSA-N 233.223 2.137 0 40 BEAB c1ccc2c(CCNC3CCNCC3)c[nH]c2c1 271523 YQVNQTZYBJFIKT-UHFFFAOYSA-N 243.354 2.052 0 40 BEAB CC1CCN(C(=O)Cc2ccccc2)CC1 510937 RTLLKOZQVFYGRU-UHFFFAOYSA-N 217.312 2.488 0 40 BEAB O=C(/C=C/c1ccco1)NCc1ccco1 546556 ZTAOSUGWSJDISW-AATRIKPKSA-N 217.224 2.202 0 40 BEAB C[C@H]1COCO[C@H]1c1ccc2c(c1)OCO2 1599423 VSBPRBXTUAKKSY-QPUJVOFHSA-N 222.240 2.097 0 40 BEAB CCCC[C@](CC)(SCCN)C(=O)O 1751554 JGFCDCONYCUWDR-JTQLQIEISA-N 219.350 2.102 0 40 BEAB CCOCn1c(=O)oc2cc(Cl)ccc21 2274102 UFNDUPDGWRQJQC-UHFFFAOYSA-N 227.647 2.242 0 40 BEAB Sc1nnc(Sc2ccccn2)s1 2511414 FXHXRTGUKWMIIZ-UHFFFAOYSA-N 227.339 2.373 0 40 BEAB c1cncc(-c2nnc3n2CCCCC3)c1 3226124 XCNFBPXYJPORHD-UHFFFAOYSA-N 214.272 2.067 0 40 BEAB CC(C)=CC/C=C1\CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 4718871 XPGHNXMVHVOVHW-RGEGJOEESA-N 233.311 2.342 0 40 BEAB CCOC(=O)[C@@H]1Cc2ccccc2C(=O)[C@H]1C 4974556 DJRIVYVNVWOOAQ-JOYOIKCWSA-N 232.279 2.241 0 40 BEAB Fc1ccc(NC(=S)NC2CC2)cc1F 7571435 OTQGVJXKHPCRBS-UHFFFAOYSA-N 228.267 2.414 0 40 BEAB CCCCn1nc2[nH]c(=O)cc(C)c2c1C 12397831 ZTKOSKLZIZEHOK-UHFFFAOYSA-N 219.288 2.142 0 40 BEAB CC(C)CCNC(=O)c1n[nH]c2ccccc12 12519515 JLSKBRCVZONBCW-UHFFFAOYSA-N 231.299 2.339 0 40 BEAB Fc1ccccc1-c1nnc([C@H]2CCCNC2)o1 32102800 SOMLLHTWKDKVKX-VIFPVBQESA-N 247.273 2.343 0 40 BEAB COc1ccc([C@H](CN)N2CCCCC2)cc1 32509081 AJXUGVNIFNKCNF-AWEZNQCLSA-N 234.343 2.181 0 40 BEAB CN(C)Cc1cccc(C2CCNCC2)c1 33487515 LHTPHXXCCHWUOA-UHFFFAOYSA-N 218.344 2.215 0 40 BEAB CC[C@H]1CCCN(C(=O)c2ccc(CN)cc2)C1 36168635 FYYQMRUODPCXMQ-LBPRGKRZSA-N 246.354 2.408 0 40 BEAB c1cc2[nH]ncc2cc1N[C@H]1CN2CCC1CC2 36989643 JHKAKBRKPHFNAU-AWEZNQCLSA-N 242.326 2.069 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1cnn(-c2ccccc2)c1 37380675 HRUXUHQNXUDJEP-RYUDHWBXSA-N 228.251 2.060 0 40 BEAB Nc1ccc2c(c1)CCN2CC(F)(F)F 37499036 OUYXUTBXNPFDRH-UHFFFAOYSA-N 216.206 2.194 0 40 BEAB O=C(O)c1ccc(OCC(=O)c2ccco2)cc1 38478300 XCGDCZVGHPWAGB-UHFFFAOYSA-N 246.218 2.240 0 40 BEAB CCOC(=O)N1CCO[C@H](c2ccccc2)C1 38569720 UAHRRCXTBVMZEY-LBPRGKRZSA-N 235.283 2.216 0 40 BEAB O=C(NCc1cc(-c2ccco2)on1)C1CCC1 38754536 PISYAOWGNXLZGP-UHFFFAOYSA-N 246.266 2.351 0 40 BEAB CN(CCCO)Cc1ccc(Cl)cc1 42213363 ZGQJWYATGCLRAG-UHFFFAOYSA-N 213.708 2.154 0 40 BEAB Cc1noc(C)c1C(=O)NCc1ccsc1 42937348 RBHILPFOXSIQOP-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB CCN(c1ccccc1)c1nnc(N)s1 45796090 ZWAIPLQBOOHEMM-UHFFFAOYSA-N 220.301 2.278 0 40 BEAB CN[C@H]1CCCN(Cc2ccc(C)cc2)C1 53201460 HQLQBBYPEOLREE-AWEZNQCLSA-N 218.344 2.179 0 40 BEAB COCCN(C)Cc1ccc(Cl)cc1 53403384 PYMCZPWXEKZDEI-UHFFFAOYSA-N 213.708 2.418 0 40 BEAB CCOCCc1nc(-c2ccccc2)n[nH]1 53733397 QWVWQHMESIHANJ-UHFFFAOYSA-N 217.272 2.051 0 40 BEAB c1cc(-c2noc(C[C@@H]3CCCNC3)n2)cs1 54301451 HMPMBTJDLOEQDC-VIFPVBQESA-N 249.339 2.340 0 40 BEAB CC(C)(C)CC(=O)NCCCN1CCCC1 54460455 XKJHMLRFMOZWIF-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB CCc1cc(Cl)c(OC)c(C(N)=O)c1 57339196 PYAAKFPYQLHAAA-UHFFFAOYSA-N 213.664 2.010 0 40 BEAB Cc1nc(N)sc1Cc1ccc(C(=O)O)cc1 62714040 BUKBCUAMMQDRQU-UHFFFAOYSA-N 248.307 2.323 0 40 BEAB O=C(c1ccc2c(c1)COC2)N1CCCCC1 64479416 XDBDYHXMFDGTON-UHFFFAOYSA-N 231.295 2.343 0 40 BEAB CONC(=O)c1ccc(-c2ccsc2)nc1C 69485140 LFKYOWDFCUPKOX-UHFFFAOYSA-N 248.307 2.410 0 40 BEAB CC[C@H]1c2ccccc2CCN1C[C@H](O)COC 71907950 MWEMIJOSGBKUCA-ZFWWWQNUSA-N 249.354 2.003 0 40 BEAB Cc1cnc(CN2CCC[C@H](c3ccn[nH]3)C2)o1 72299799 WNRGMAOMXPTFAI-NSHDSACASA-N 246.314 2.086 0 40 BEAB Cc1ccc(-c2noc([C@H](C)N)n2)cc1C 74110308 XTTOJAALNMNILG-VIFPVBQESA-N 217.272 2.373 0 40 BEAB CN(C)[C@@H](CCC(=O)O)c1ccccc1 74181514 PSNMTLWWWOSUDP-NSHDSACASA-N 207.273 2.154 0 40 BEAB CCCCNC(=O)c1ccc2c(c1)ncn2C 74705393 SUFJLTPDSIDAJP-UHFFFAOYSA-N 231.299 2.103 0 40 BEAB C[C@@H](c1ccccc1)N(CC(N)=O)CC1CCC1 77372238 FEJQEEHJALKAPM-LBPRGKRZSA-N 246.354 2.335 0 40 BEAB O=C1c2cccnc2CN1c1ccccc1 80443259 GYOAAIHGHIQWPM-UHFFFAOYSA-N 210.236 2.242 0 40 BEAB in-vitro CC(C)c1nsc(N2C[C@H](C)O[C@H](C)C2)n1 80761450 CVRHXKPGAQDJNR-DTORHVGOSA-N 241.360 2.275 0 40 BEAB c1cnc2c(C3CCNCC3)c[nH]c2c1 82237727 LOIIYTWETPAJMB-UHFFFAOYSA-N 201.273 2.030 0 40 BEAB NCC(=O)c1ccc2c3c(cccc13)CC2 85391531 UVEWLCKSGNMQGL-UHFFFAOYSA-N 211.264 2.080 0 40 BEAB Nc1cc(-c2cnc3ccccc3c2)ncn1 88675899 YYTOBNVYSCGYCW-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB Brc1ccc(COC[C@@H]2CO2)cc1 95096159 MNCVQNPZGWOVMA-SNVBAGLBSA-N 243.100 2.365 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1NC1Cc2ccccc2C1 95423320 VTUGGFUQZCLTCX-HOTGVXAUSA-N 245.366 2.295 0 40 BEAB CCCCNC(=O)N(C)[C@@H](C)CSC 96413449 OTIAHAMGIMNAJG-VIFPVBQESA-N 218.366 2.179 0 40 BEAB CCCCCCOC1CC(C(=O)O)C1 96509140 NSSDQJHQNDRING-UHFFFAOYSA-N 200.278 2.447 0 40 BEAB O[C@H]1CC[C@H](NCc2ccc(Cl)nc2)CC1 100173924 ZZOVELABKXLUOC-PHIMTYICSA-N 240.734 2.128 0 40 BEAB O=C(NC1CC1)c1cccc(OC(F)(F)F)c1 122044313 KUDBPOOMWZZYIQ-UHFFFAOYSA-N 245.200 2.477 0 40 BEAB CC[C@H](c1ccccc1)[C@H]1CNCCC1=O 168636225 CBFVDTFNCYHRAB-CHWSQXEVSA-N 217.312 2.359 0 40 BEAB CC(C)C[C@H](NC(=O)CCC1CCC1)C(=O)O 185317597 YDUGBBWMTXDYDL-NSHDSACASA-N 241.331 2.182 0 40 BEAB CCSCCCNC(=O)C1CCCC1 190914611 KJYROBMBGIFZEZ-UHFFFAOYSA-N 215.362 2.436 0 40 BEAB CC[C@@]1(c2cncc(Br)c2)CO1 217527880 KIRYGPXXXZRYHK-VIFPVBQESA-N 228.089 2.480 0 40 BEAB CN(C)C(=O)OC(C(F)(F)F)C(F)(F)F 218398912 DZEMMWXCJCYPKF-UHFFFAOYSA-N 239.115 2.178 0 40 BEAB O=C(O)/C=C/NC(=O)Nc1ccccc1Cl 222695965 NSFHSNROMSJQBY-AATRIKPKSA-N 240.646 2.060 0 40 BEAB CCS(=O)(=O)N(C)c1ccc(C)c(C)c1 223025585 OACLLLSRHCSAAP-UHFFFAOYSA-N 227.329 2.089 0 40 BEAB CCNC(=S)Nc1ncc(Cl)cc1C 223867288 CBHQVUSDVYEDKX-UHFFFAOYSA-N 229.736 2.350 0 40 BEAB Cc1cncc(N2CCc3ccccc3C2)n1 302130200 GNAMJOQAOJFPFK-UHFFFAOYSA-N 225.295 2.348 0 40 BEAB CSc1cccc(C(=O)COC(C)=O)c1 382674480 KLJJAXNLECTCGB-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB CCOC(=O)CC(=O)c1cccc(F)c1C 382699391 NEQNMIRDUJFHRQ-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB CCOC(=O)c1ccc(C(=O)CCSC)o1 390120254 FGUMKJNNYXIAJZ-UHFFFAOYSA-N 242.296 2.392 0 40 BEAB COC(=O)NCc1ccc(-c2ccco2)o1 575607967 GGKFRWAUMQPXSB-UHFFFAOYSA-N 221.212 2.396 0 40 BEAB Cc1ccc(-c2nn(C)c(=O)n2CC2CC2)s1 585651802 SWTNCHBHFLBVJO-UHFFFAOYSA-N 249.339 2.029 0 40 BEAB Cc1nc(C)c(COc2ccncc2)o1 853691541 XCCJEYMTDPZOGJ-UHFFFAOYSA-N 204.229 2.265 0 40 BEAB COCCOCC(F)(F)[C@@H](F)C(F)(F)F 1083807942 GIVJUMQSUKLHDH-RXMQYKEDSA-N 240.143 2.185 0 40 BEAB O=C(Cc1ccccc1)N1CCCCC1 1471500 FKDXAVZBHJWLEM-UHFFFAOYSA-N 203.285 2.242 0 40 BEAB COC(=O)n1c(C)c(C=O)c2ccc(OC)cc21 1647562 SNHMEHSOGVTAFK-UHFFFAOYSA-N 247.250 2.385 0 40 BEAB CC(C)Oc1ccccc1OC(=O)N(C)C=O 1719892 NAMSSRVUMCZUDI-UHFFFAOYSA-N 237.255 2.061 0 40 BEAB CC(C)N1C[C@@H](C)C(=O)N(c2ccccc2)C1=O 2045115 WSQAOYQGVWQUDL-LLVKDONJSA-N 246.310 2.500 0 40 BEAB CCn1nccc1CNCc1ccc(F)cc1 2536115 BOINEZOPZGHRCR-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB Cc1ccc(C)c(S[C@H](C)C(N)=O)c1 3499248 QKTMMDKRXKNHSN-SECBINFHSA-N 209.314 2.269 0 40 BEAB CC(C)[C@H](C)NC(=O)Cc1ccccc1 5285000 ZIEJSEMUACQFOC-NSHDSACASA-N 205.301 2.390 0 40 BEAB CN(C(=O)c1ccccc1)c1ccccn1 5328834 WUXNIYVPMJTJRZ-UHFFFAOYSA-N 212.252 2.358 0 40 BEAB Cc1ccc2ncnc(NCCCN(C)C)c2c1 6216578 HAHYDNZUWSJCMW-UHFFFAOYSA-N 244.342 2.302 0 40 BEAB CCc1ccc(OC)c(-c2cc(C(=O)O)n[nH]2)c1 6848725 ITMKPBFWMDVZJO-UHFFFAOYSA-N 246.266 2.346 0 40 BEAB CC[C@@H](C)C(=O)Nc1cc(N)ccc1OC 8703550 PRRRSIZCENCYHZ-MRVPVSSYSA-N 222.288 2.262 0 40 BEAB CCCCC(=O)NC[C@H](c1ccco1)N(C)C 9483430 KPIGIKXUCUILKY-LLVKDONJSA-N 238.331 2.189 0 40 BEAB Cc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1N 9737697 JAJYERYIDWIJGK-UHFFFAOYSA-N 249.310 2.349 0 40 BEAB CC(C)C(=O)N[C@H](C)Cc1ccccc1 12346310 NCRGPXPYOYEXQT-LLVKDONJSA-N 205.301 2.390 0 40 BEAB Cc1cccc(O[C@H]2CCCNC2)c1C 14631645 ASENSQCMNLUDAX-LBPRGKRZSA-N 205.301 2.434 0 40 BEAB Cc1cc(C(=O)O)c(C)n1-c1nccs1 20282475 MMRRNHQDDPKVFA-UHFFFAOYSA-N 222.269 2.249 0 40 BEAB in-vitro Cc1ccc(NC(=O)c2cccnc2)c(N)c1 20344194 HKUJHXJGWCTNHQ-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB NC(=S)Nc1nc2ccc(F)cc2s1 22124988 WCZHXTICFWATHD-UHFFFAOYSA-N 227.289 2.091 0 40 BEAB CCCC(=O)Nc1ccc(-n2ccnc2)nc1 28093170 LSTIZRGVNKZERG-UHFFFAOYSA-N 230.271 2.006 0 40 BEAB CCN(C(=O)C1=Cc2ccccc2OC1)C1CC1 32760932 GMRDOUQMERDTKQ-UHFFFAOYSA-N 243.306 2.473 0 40 BEAB O=C(NCC1CC1)N[C@H]1CCc2ccccc21 32909457 BOLNATMITDWSSH-ZDUSSCGKSA-N 230.311 2.383 0 40 BEAB C=COC(=O)c1ccc(C(=O)OC=C)cc1 34541404 IHXBXGHGYCSRAP-UHFFFAOYSA-N 218.208 2.287 0 40 BEAB CCCN1C(=O)C(C)(C)COc2cc(N)ccc21 34936219 SXJIXSNYELSPTL-UHFFFAOYSA-N 248.326 2.430 0 40 BEAB Cc1cc(C)nc(NCc2ccccn2)n1 35122066 BKLCOOWABKTJFJ-UHFFFAOYSA-N 214.272 2.101 0 40 BEAB C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 36383203 OERBUQKWFDTHOF-PSASIEDQSA-N 233.233 2.260 0 40 BEAB C=CC(=O)N(CC)Cc1ccc(OC)c(F)c1 37828795 LRNDBODXCBYVGC-UHFFFAOYSA-N 237.274 2.369 0 40 BEAB CC(C)(C)Nc1ccc(N)cc1C(=O)O 37930141 SMKCKBLKABHCSL-UHFFFAOYSA-N 208.261 2.177 0 40 BEAB Nc1cccc(COc2cccnc2)c1 39090742 TZJJRSFAVSRPKP-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB CNC(=O)c1cc(Cl)c(OC)c(Cl)c1 44870545 NTOWVFCTDUCHBY-UHFFFAOYSA-N 234.082 2.362 0 40 BEAB CC(C)c1noc2nc(C3CC3)cc(C(N)=O)c12 44919614 XEJSPPQQJNLDBZ-UHFFFAOYSA-N 245.282 2.323 0 40 BEAB in-vitro N[C@H](C(=O)OC1CCCC1)c1ccccc1 48632255 WXGVMWCVLJRTIC-LBPRGKRZSA-N 219.284 2.172 0 40 BEAB CC[C@@H](NCCN1CCCCC1)C(C)C 49574918 DZFOWRRBJIYFKQ-CYBMUJFWSA-N 212.381 2.497 0 40 BEAB COC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1 50974099 YBDIORLSIOSUGA-SNVBAGLBSA-N 248.200 2.086 0 40 BEAB O=C(O)[C@H]1CCN(CCCc2ccccc2)C1 62133732 GLNYANBVNHNEMU-ZDUSSCGKSA-N 233.311 2.026 0 40 BEAB C[C@H]1CC[C@@H](Nc2cccc(C(N)=O)c2)C1 70642840 ILTUXUDMLIPUIS-JOYOIKCWSA-N 218.300 2.386 0 40 BEAB C[C@H](CN1CCNC[C@@H]1C)c1ccccc1 71978859 PFCGFSCWLYDURJ-OLZOCXBDSA-N 218.344 2.084 0 40 BEAB Cc1nc(N)ccc1[C@H]1CCCCN1C 72218575 UEKDFUSKQWKHJN-LLVKDONJSA-N 205.305 2.129 0 40 BEAB C[C@@H]1C[C@H](CCN)CN1Cc1ccccc1 83254961 MNHIPMWKEKKGBU-OCCSQVGLSA-N 218.344 2.246 0 40 BEAB in-vitro COc1ccc2[nH]c3c(c2c1)CC(=O)CC3 83722951 CISGDMAISVQRCV-UHFFFAOYSA-N 215.252 2.234 0 40 BEAB CCO[C@@H]1C[C@@H](N(C)C(C)=O)C12CCCC2 84800822 YBYWZUVNRBPVRD-VXGBXAGGSA-N 225.332 2.203 0 40 BEAB Cc1cc(F)c2nc(C(=O)O)ccc2c1 85399941 UOIAXNDNPRPVEA-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB O=C(O)c1cccc2c1CCCN2CCF 87776285 NAGCVMMMHULEJD-UHFFFAOYSA-N 223.247 2.107 0 40 BEAB CSCc1nc2ccc(C)cc2c(=O)[nH]1 89657466 WRDPMHAHELJFRD-UHFFFAOYSA-N 220.297 2.095 0 40 BEAB O=C(NC[C@@H]1CCCS1)C1CCCC1 89818026 CBZYWHMMWNBDDB-JTQLQIEISA-N 213.346 2.188 0 40 BEAB CC[C@H](c1ccc(F)cc1)N1CC[C@@H](O)C1 89947817 PHDUHBDXQQNBJM-CHWSQXEVSA-N 223.291 2.343 0 40 BEAB CCc1ccc(C(=O)O)cc1OCCCOC 90556115 DDQYAYQMPNSQLQ-UHFFFAOYSA-N 238.283 2.363 0 40 BEAB C[C@H]1CN(c2cccc3ccoc23)CCN1 95092941 RSZBUIKPGYWRPJ-JTQLQIEISA-N 216.284 2.231 0 40 BEAB CC(=O)NCc1ccc(Br)cc1C 95394732 AYRAAZYQKXJDKP-UHFFFAOYSA-N 242.116 2.394 0 40 BEAB COc1cccc(CCCN2CCC[C@@H](N)C2)c1 96523534 ARZQKFUEFMDIOE-CQSZACIVSA-N 248.370 2.051 0 40 BEAB COc1cccc([C@@H](C)O[C@@H]2CCNC2)c1 96529884 GUMLMPMDKMAAMN-ZWNOBZJWSA-N 221.300 2.135 0 40 BEAB N[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@@H]3[C@@]12c1ccccc1 103275838 OPWWFTVBORMGFH-AVPXRVEASA-N 237.346 2.413 0 40 BEAB Cc1ncc(N)cc1NC(=O)OC(C)(C)C 200012432 FFKYIERZHFXSHA-UHFFFAOYSA-N 223.276 2.319 0 40 BEAB Nc1cc(Br)cc(/C=C\C(=O)O)c1 216775750 AXHSUAHCRJQDQZ-UPHRSURJSA-N 242.072 2.129 0 40 BEAB CCn1cc(CNc2ccn(C(F)F)n2)cn1 256051171 IAEIPEGVEXXGQY-UHFFFAOYSA-N 241.245 2.107 0 40 BEAB Cc1cncnc1N1CC(Cc2ccoc2)C1 897348812 MUMGTNGNBZJPBU-UHFFFAOYSA-N 229.283 2.057 0 40 BEAB O=C(O)c1ccc2c(c1)[C@@H]1CCC[S@]1(=O)=N2 1565504703 AAJKUOKBOVUNMU-MGPLVRAMSA-N 237.280 2.333 0 40 BEAB COc1ccc2nccc(C(=O)N3CCC3)c2c1 1889138795 BAYOWADLHFRISK-UHFFFAOYSA-N 242.278 2.089 0 40 BEAB CCCC(=O)Nc1n[nH]c2nc(C)cc(C)c12 89280 SEQKTDLBYQHPOX-UHFFFAOYSA-N 232.287 2.313 0 40 BEAB CN(C)C(=O)Oc1cccc2cccnc12 152090 VCSGVHPHQVIBAP-UHFFFAOYSA-N 216.240 2.295 0 40 BEAB CC1=N/C(=C\c2ccccc2C)C(=O)O1 1624769 UMESNHVJZFCGBV-XFFZJAGNSA-N 201.225 2.311 0 40 BEAB CC(C)CCn1cnc2c(=S)[nH]c(N)nc21 1682104 NGROSKCTGSWRLB-UHFFFAOYSA-N 237.332 2.117 0 40 BEAB CC(C)C(=O)[C@H](CCN(C)C)c1ccccn1 2045653 PNLVBCYMNFQAOQ-GFCCVEGCSA-N 234.343 2.342 0 40 BEAB CNc1ncc(-c2nc3ccccc3o2)cn1 3174186 UWDHHQNJEGCADC-UHFFFAOYSA-N 226.239 2.327 0 40 BEAB COC(=O)c1c(CC(C)C)csc1N 4218250 XVYAEAXXDWJBDM-UHFFFAOYSA-N 213.302 2.315 0 40 BEAB CC(=O)NCc1cc2cc(Cl)ccc2n1C 4973494 LGQUXFTZXTYMRZ-UHFFFAOYSA-N 236.702 2.468 0 40 BEAB C1CCN2C[C@H]3CCCN4CCC[C@H]([C@@H]2C1)[C@H]34 5085266 UENROKUHQFYYJA-KBXIAJHMSA-N 234.387 2.345 0 40 BEAB CC(C)C(=O)N1CCc2ccccc2C1 5380270 MPCRQRGOXQYTQR-UHFFFAOYSA-N 203.285 2.227 0 40 BEAB CC(=O)N[C@@H](C(=O)Nc1cccc(C)c1)C(C)C 5704006 GSLXXUCVJCSWIZ-CYBMUJFWSA-N 248.326 2.094 0 40 BEAB CC1(C)N=NC2([S@@]1=O)C(C)(C)C(=O)C2(C)C 6263392 VXPWBFXELIXDQW-INIZCTEOSA-N 242.344 2.268 0 40 BEAB O=C(C[C@@H](O)c1ccncc1)c1ccccc1O 15884424 JIBFZVZYHKPKKW-CYBMUJFWSA-N 243.262 2.094 0 40 BEAB CCCCNC(=O)c1ccc(OCC)c(N)c1 20155582 LTJSSKHKMDQCTG-UHFFFAOYSA-N 236.315 2.197 0 40 BEAB C[C@H]1c2cccn2CCN1C(=O)c1ccco1 30267179 BJKBMNFRGFKSDB-JTQLQIEISA-N 230.267 2.298 0 40 BEAB CC[C@@H](C)CN[C@H](C)c1nnc2ccccn12 36968856 PJJNLTPHDNPZOP-GHMZBOCLSA-N 232.331 2.426 0 40 BEAB C[C@H](N)c1nc2cc(Cl)ccc2n1C 37440191 SSSJJDCWEDVSTP-LURJTMIESA-N 209.680 2.246 0 40 BEAB CC(=O)c1ccc2c(C)cc(=O)oc2c1 39953722 XWCHSHBZNAHHAK-UHFFFAOYSA-N 202.209 2.304 0 40 BEAB CO[C@@](CN)(c1ccccc1)C(F)(F)F 44236400 OMZTYGQMHOTWRA-VIFPVBQESA-N 219.206 2.049 0 40 BEAB COc1ccc(C(=O)O)cc1COC(C)C 50131797 XNYWWFYHXHFKIZ-UHFFFAOYSA-N 224.256 2.318 0 40 BEAB CNC[C@H]1C[C@@H]1c1ccc(OC)cc1OC 54588573 FKZTUXUPAFVPSV-SKDRFNHKSA-N 221.300 2.027 0 40 BEAB COc1ccc(-c2n[nH]c(Cl)n2)cc1 59386664 WKKZJJZLMYVUSK-UHFFFAOYSA-N 209.636 2.134 0 40 BEAB COCC(=O)NCc1cccc2ccccc12 70250847 XNLUBGSFWUWLNP-UHFFFAOYSA-N 229.279 2.102 0 40 BEAB Cc1ccc(-c2nnc(/C=C/C(=O)O)o2)cc1 71534525 IPJRKLACRJSNIY-VOTSOKGWSA-N 230.223 2.143 0 40 BEAB CCN1CCC[C@H]1c1c(C)nn(C)c1C 71876696 RGPXRSJFVSJAPT-NSHDSACASA-N 207.321 2.194 0 40 BEAB CC[C@@H](NC)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207649 WWMPDIOQYHCOOR-MNOVXSKESA-N 242.363 2.384 0 40 BEAB Cc1cc([C@H]2CCCN2C=O)c[nH]c1=S 72218248 MHFHDDXSDGHROO-SNVBAGLBSA-N 222.313 2.346 0 40 BEAB CN(C(=O)c1ccccc1)c1cccnc1 74026579 QSAJIHDDFMPVMG-UHFFFAOYSA-N 212.252 2.358 0 40 BEAB O=C(C[C@@H]1CCCCCN1)c1ccco1 75092829 ZXAFFBXMXPQGPF-JTQLQIEISA-N 207.273 2.385 0 40 BEAB in-vitro Brc1cnc(OCC2CC2)nc1 82663843 IPOGGNFPMGFIFL-UHFFFAOYSA-N 229.077 2.028 0 40 BEAB O=C1C[C@H](c2cccc(Br)c2)N1 82762343 UGKCNPSBLTUIHR-MRVPVSSYSA-N 226.073 2.010 0 40 BEAB Fc1cccc(OCCC2OCCCO2)c1 84192570 XTWNFEVDBLQJCE-UHFFFAOYSA-N 226.247 2.358 0 40 BEAB COC(=O)[C@H]1O[C@@]1(C)c1cccc(Cl)c1 85657580 DRJTWSSWHQHRLH-KOLCDFICSA-N 226.659 2.127 0 40 BEAB CCc1ccc([C@@H](C)NCCc2nc(C)no2)o1 89518420 HEQUJWHRVHFUGS-SECBINFHSA-N 249.314 2.427 0 40 BEAB NCC1(CCOCc2ccccc2)CC1 95883606 YRPVBOFNNBBPAJ-UHFFFAOYSA-N 205.301 2.332 0 40 BEAB in-vitro CC(C)=CCC[C@@H](C)N[C@@H](C)Cn1cncn1 95967508 JJUJHALAQQTGJS-OLZOCXBDSA-N 236.363 2.391 0 40 BEAB Nc1nccc(Cl)c1-c1ccncc1 96134721 RZSAMHLRUKYLDY-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB Cc1ccc(OCCOCC(F)(F)F)cn1 96501077 JOPAYQPLWXDZCH-UHFFFAOYSA-N 235.205 2.348 0 40 BEAB CC[C@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 97033035 DMEPGCHETNRYHJ-KOLCDFICSA-N 241.306 2.256 0 40 BEAB COc1ccc(NC(=O)N2CCCC2)c(C)n1 98019344 JYXMZMCHHZHFRT-UHFFFAOYSA-N 235.287 2.026 0 40 BEAB O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 100084036 YQXJBYAQGPMUEP-FGRABYKZSA-N 238.283 2.132 0 40 BEAB CC[C@H](C)NC(=O)C1(c2ccc(N)cc2)CC1 125943481 KJYCOESRCPFCIR-JTQLQIEISA-N 232.327 2.215 0 40 BEAB COC(=O)c1cnc2ccc(F)cc2c1 179064306 RCEMALLZHCNGOH-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB CSC[C@H]1Cc2cc(C=O)ccc2O1 218743858 CFGGIYWNIKMWES-SNVBAGLBSA-N 208.282 2.166 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1ccc(Cl)nc1 252479942 BQKOJNOSEHXUHY-PSASIEDQSA-N 226.707 2.175 0 40 BEAB C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C[C@@H](C)S1 531135498 UYWPEYIDKMHZRM-JCIQBVFBSA-N 239.384 2.385 0 40 BEAB OCc1c(F)cc(OCC(F)(F)F)cc1F 1776010739 PJJBPWNWCFKUPX-UHFFFAOYSA-N 242.143 2.398 0 40 BEAB CCCc1cc(=O)[nH]c(NCc2ccccc2)n1 138482 ZELYVFPYCWIMCR-UHFFFAOYSA-N 243.310 2.335 0 40 BEAB CCC[C@H]1NC(=S)N(C2CCCCC2)C1=O 171117 SWORNIHCWGWJHI-SNVBAGLBSA-N 240.372 2.205 0 40 BEAB C[C@H]1c2ccccc2C(=O)C[C@H]1C(=O)O 1712795 WRZNZBDUIVUZNV-OIBJUYFYSA-N 204.225 2.077 0 40 BEAB O=c1nc2n(c3ccccc13)Cc1ccccc1C2 1781028 RCJXSFGOJQQFRA-UHFFFAOYSA-N 248.285 2.349 0 40 BEAB O=C(/C=C/c1cccs1)OC[C@H]1CCCO1 3411537 LYXPODAIQMTOLT-BRAIEQGRSA-N 238.308 2.484 0 40 BEAB CCC[C@@H](O)[C@](O)(CC)c1ccc(OC)cc1 3845074 MIOADXDWQIJHDT-KGLIPLIRSA-N 238.327 2.454 0 40 BEAB biogenic CCCC[C@@H](CC)[C@H]1OC(=O)[C@@H](C)O1 4578857 OXGGCDPISRUOIL-FXPVBKGRSA-N 200.278 2.491 0 40 BEAB CCCCNS(=O)(=O)c1ccc(F)cc1C 5234382 OQZYJADDWRBVRZ-UHFFFAOYSA-N 245.319 2.213 0 40 BEAB Cc1noc(C)c1CSc1nnc(N)s1 9834601 HYUOQXXGVSLACY-UHFFFAOYSA-N 242.329 2.017 0 40 BEAB Cc1ccc([C@@H](O)C2CCNCC2)cc1 11630771 GDGAWVYEBYVDJL-CYBMUJFWSA-N 205.301 2.028 0 40 BEAB Cc1ccc(O[C@H]2CCCNC2)c(C)c1 14631652 IBRHPKNLJPWLKO-LBPRGKRZSA-N 205.301 2.434 0 40 BEAB in-vitro COc1ccc(CCNCC(F)(F)F)cc1 20044582 MZNDYLGTOPHTIR-UHFFFAOYSA-N 233.233 2.390 0 40 BEAB CCCN1CN(C2CCCCC2)CNC1=S 20171384 FMEGXORUZHHNME-UHFFFAOYSA-N 241.404 2.136 0 40 BEAB CN(C)Cc1noc(N)c1-c1ccccc1F 26512537 CVBRUZKDRDOKPZ-UHFFFAOYSA-N 235.262 2.125 0 40 BEAB Nc1nsc(-c2ccccc2Cl)n1 32238111 KJPOZCDBQPBPLS-UHFFFAOYSA-N 211.677 2.441 0 40 BEAB in-vitro O=C(Nc1ccccn1)[C@@H]1Cc2ccccc2O1 32843892 ASIROXQZKHSAFK-LBPRGKRZSA-N 240.262 2.024 0 40 BEAB Cc1ccc(CN2CC=C(C(=O)O)CC2)cc1 32918658 YVBQMEGTGKSVAT-UHFFFAOYSA-N 231.295 2.212 0 40 BEAB Nc1nc(Cl)nc(Cl)c1Br 35576753 XBTHOTVRUMBOMO-UHFFFAOYSA-N 242.891 2.128 0 40 BEAB CCONC(=O)c1cccc(CSC)c1 36393320 JLDILLHNDFFAFN-UHFFFAOYSA-N 225.313 2.231 0 40 BEAB NCc1ccc(-c2nnc3n2CCCCC3)cc1 36896189 UMKMDAHLKBDNCM-UHFFFAOYSA-N 242.326 2.130 0 40 BEAB CCOC(=O)COc1cccc2ccc(C)nc12 37406317 ROVDXTXQQDHERO-UHFFFAOYSA-N 245.278 2.485 0 40 BEAB CCN(CC)C[C@H]1Cc2ccccc2N1 39018585 UDJRUPMXBYPCAW-GFCCVEGCSA-N 204.317 2.365 0 40 BEAB O[C@H]1CCCN(c2ccnc3ccccc23)C1 41721653 DCJLAPBITYLMRV-NSHDSACASA-N 228.295 2.196 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2cccc(C)c12 42898790 FPZWUELKYBKBLJ-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB C[C@@H](NC(=O)NCc1ccco1)c1ccncc1 48455461 ADOPHLVSQRANQL-SNVBAGLBSA-N 245.282 2.235 0 40 BEAB Cc1cc(NC(=O)N[C@@H](C)C(C)C)no1 48469441 QYZATZOSQYVPAX-QMMMGPOBSA-N 211.265 2.149 0 40 BEAB O=C(O)c1nnc(Cc2cccc(Cl)c2)o1 57529492 ZZBABRYNCRECBQ-UHFFFAOYSA-N 238.630 2.012 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@@H](C)N 72224523 HLYRKPZWHQMBGA-SECBINFHSA-N 205.305 2.010 0 40 BEAB COc1ccc(OC)c(C(=O)NCC2(C)CC2)c1 72311353 GELLGJAQRAHTHW-UHFFFAOYSA-N 249.310 2.234 0 40 BEAB O=C(Oc1ccc2[nH]ncc2c1)c1cscn1 79075467 JSJNDWLRTGHBTH-UHFFFAOYSA-N 245.263 2.239 0 40 BEAB O=C1NC[C@@H](c2ccccc2Br)O1 83254028 PUKUZZNKOSNMBV-QMMMGPOBSA-N 242.072 2.230 0 40 BEAB in-vitro CCc1ccc(C(=O)O[C@@H](C)Cn2cccn2)o1 83796744 ADGPKMLBPIKPIM-JTQLQIEISA-N 248.282 2.284 0 40 BEAB NCc1ccc(C(=O)c2ccsc2)s1 90397614 FIJWNBRMTBKCFS-UHFFFAOYSA-N 223.322 2.499 0 40 BEAB O=C(O)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 91305006 YMEAOEVSZUNFGF-DLOVCJGASA-N 217.268 2.449 0 40 BEAB CC(C)Cc1nc([C@H]2CCCCCN2)no1 96001557 XRNCNZDFNPEGIR-SNVBAGLBSA-N 223.320 2.473 0 40 BEAB Cc1nn(C)c(C)c1CNc1nnc(C(C)C)o1 97045372 IYHUSSSMGSYREV-UHFFFAOYSA-N 249.318 2.155 0 40 BEAB CC1(C)[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 98013441 LZVKEEQQPLTASF-PHIMTYICSA-N 207.317 2.291 0 40 BEAB Cc1cccc2nc(CSc3cnn[nH]3)cn12 98019226 UAXPEWKAERVGGC-UHFFFAOYSA-N 245.311 2.053 0 40 BEAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(=O)C2 100002517 MENILFUADYEXNU-RKDXNWHRSA-N 225.288 2.117 0 40 BEAB CC(C)(C)OC(=O)CC(=O)C1CCCC1 115887837 JMPCUQTYJXPBOI-UHFFFAOYSA-N 212.289 2.478 0 40 BEAB Cc1nccc(N2CCC(N(C)C(C)C)CC2)n1 195531009 PAIAOJAZLLFZJY-UHFFFAOYSA-N 248.374 2.094 0 40 BEAB Cn1cc(-c2cccc(Cl)c2)nc1N 199560237 BSOJGGSPHWHVPV-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB CC(C)CC(=O)[C@H]1CCCC[C@@H]1C(=O)O 216124665 ZYFDYPBWSMIQAU-UWVGGRQHSA-N 212.289 2.493 0 40 BEAB Cc1c(F)cccc1N[C@H]1CCC[C@H]1N 218882342 QKAYBOXPNVFHOI-PWSUYJOCSA-N 208.280 2.426 0 40 BEAB CCOC(=O)c1n[nH]c([C@@H](C)c2ccccc2)n1 221446341 XTPXZEBKBUAMES-VIFPVBQESA-N 245.282 2.133 0 40 BEAB Cc1cn2c([C@H](C)O)c(Cl)nc2s1 256053207 QMWQPMRXXRVZRM-YFKPBYRVSA-N 216.693 2.411 0 40 BEAB F[C@@H]1CCC[C@H]1Nc1ncc(Cl)cn1 585386131 SVYKAMAZQYWQEG-HTQZYQBOSA-N 215.659 2.433 0 40 BEAB Cc1ncnc(C(=O)NCc2ccccc2)c1C 1880341646 QGEBAUWGJGKDDL-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB COc1cc(Br)c(C)c(C(=O)O)c1 409735 PYVLOORQWWPGCY-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@H]1O 1480994 YEDFEBOUHSBQBT-GJZGRUSLSA-N 240.258 2.364 0 40 BEAB biogenic,in-vitro CCOP(=O)(OCC)[C@@H]1CCCCN1 1876575 ZJEBPGBWAOXZPZ-SECBINFHSA-N 221.237 2.352 0 40 BEAB Cc1cc(C)cc(C(=O)CCC(=O)O)c1 2378651 WDDSSQHQVXZHCA-UHFFFAOYSA-N 206.241 2.351 0 40 BEAB CC(C)(O)[P@@](=O)(O)CCc1ccccc1 2440255 SUULYVDQJWYYAQ-UHFFFAOYSA-N 228.228 2.228 0 40 BEAB Brc1cccc(CC2OCCO2)c1 2529047 KCGZEZMTTSJESB-UHFFFAOYSA-N 243.100 2.365 0 40 BEAB CC[C@H](C)NC(=O)c1cc(OC)cc(OC)c1 2736248 VOSLSQFQTWAFOL-VIFPVBQESA-N 237.299 2.232 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21CCC(=O)O1 3845425 NAQMCLGSTRGHTN-BZHVJNSISA-N 222.284 2.087 0 40 BEAB biogenic Cn1cc(/C=C\C(=O)O)c2ccccc21 4982840 YEDWQKRESZUTAZ-SREVYHEPSA-N 201.225 2.276 0 40 BEAB CCCC[C@H](CC)[C@H]1N[C@H](C(=O)O)CS1 5575031 ZKYLUEMFTTZGJI-GUBZILKMSA-N 231.361 2.319 0 40 BEAB O=c1[nH]c(/C=C/c2cccnc2)nc2ccccc12 8738871 DDIHOIBFSBKMLO-BQYQJAHWSA-N 249.273 2.489 0 40 BEAB CC(C)C(=O)Nc1noc2ccccc12 9667585 XUOYZGXWMVRKLY-UHFFFAOYSA-N 204.229 2.422 0 40 BEAB CC(C)(O)c1cn(-c2ccc(Cl)cc2)nn1 14988359 DVDVWCDVWANNCD-UHFFFAOYSA-N 237.690 2.148 0 40 BEAB c1ccc(CNNCc2ccccc2)cc1 19167529 GXNVARTZYHDDNN-UHFFFAOYSA-N 212.296 2.481 0 40 BEAB O=C(O)[C@@H]1CCCN(c2ncccc2Cl)C1 19392975 SNIJJDOFXHTRLC-MRVPVSSYSA-N 240.690 2.036 0 40 BEAB in-vitro CC(C)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19789999 ZKNGMOFSLSZLST-BFHYXJOUSA-N 222.376 2.201 0 40 BEAB Cc1ccc2c(c1)nnn2C(=O)c1cccs1 19909264 ZZXNCTHQTGFRLJ-UHFFFAOYSA-N 243.291 2.490 0 40 BEAB CNCc1ccc(N2CCCCC2)s1 26340381 IYCFKHSEOVLIPK-UHFFFAOYSA-N 210.346 2.458 0 40 BEAB O=C(O)[C@@H]1CCCCN1c1nc2ccccc2o1 34924857 WXTUPZCUXANAJB-JTQLQIEISA-N 246.266 2.271 0 40 BEAB COC(=O)c1cccc(OC(F)F)c1 35100079 HXUJGRNSCPFZBL-UHFFFAOYSA-N 202.156 2.075 0 40 BEAB Nc1ccnn1-c1cccc(Br)c1 35778651 WKMVSXMVWPUGOY-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CCOC(=O)c1cnn(C)c1-c1ccccc1 36467766 BQHQFYSVCNWZJH-UHFFFAOYSA-N 230.267 2.264 0 40 BEAB in-vitro CCOC(=O)CCN[C@@H]1CCCC[C@@H]1C 36667559 XKHGOPJHZZPKGU-WDEREUQCSA-N 213.321 2.108 0 40 BEAB COCCNC(=O)c1ccccc1C(F)(F)F 39975540 MISTZQSEHYCNQK-UHFFFAOYSA-N 247.216 2.082 0 40 BEAB Cc1ccc2c(N3CCNCC3)ccnc2c1C 40175313 QDVQUWBNLAWYSL-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB CCC[C@H](C)C(=O)NCc1cccnc1N(C)C 40534590 LNSXWPXVVDSIQC-NSHDSACASA-N 249.358 2.200 0 40 BEAB Cc1ccsc1CNC(=O)[C@H](C)n1cccn1 45536675 CCPVDMOSTXWBJG-JTQLQIEISA-N 249.339 2.130 0 40 BEAB CCCSCC(=O)N[C@H](C)c1ccccn1 48678672 GESZTCKHDOZGGH-SNVBAGLBSA-N 238.356 2.402 0 40 BEAB O=C(O)c1cnc(Cc2ccc(Cl)cc2)nc1 49468341 WXRSOURUIFWDPA-UHFFFAOYSA-N 248.669 2.419 0 40 BEAB Cc1ccnc(SC[C@@H]2CCCCN2)n1 51332212 JSTBHKFBHTUHCO-JTQLQIEISA-N 223.345 2.019 0 40 BEAB CCC(CC)(CO)NCc1ccccc1F 53047255 FQGSUQHCEFCUNA-UHFFFAOYSA-N 225.307 2.466 0 40 BEAB Cc1cc(C)cc(-n2nc(N)cc2C)c1 54404743 TUNQMGFBBLTUQR-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB in-vitro O=C(O)c1nccnc1NCC1CCCCC1 54527752 YJOHLYVJVDSHQD-UHFFFAOYSA-N 235.287 2.167 0 40 BEAB CCCN1c2ccccc2CC[C@@H]1CN 60394255 UCLZWKXAZZUQPM-GFCCVEGCSA-N 204.317 2.177 0 40 BEAB COc1cc(C)cc2c(=O)cc(C)[nH]c12 64874672 IETOXFPWIRWHMJ-UHFFFAOYSA-N 203.241 2.154 0 40 BEAB Cc1cccc(NS(=O)(=O)CCCF)c1 72307274 YTCVRZZVQFJALG-UHFFFAOYSA-N 231.292 2.096 0 40 BEAB CC(C)N(Cc1ccccc1)[C@H]1CCNC1 79437956 CPSVIPMHUOWCOQ-AWEZNQCLSA-N 218.344 2.259 0 40 BEAB Cc1nn(-c2ccccc2)c2cc[nH]c(=O)c12 80443289 URXIKHNNXWSXRE-UHFFFAOYSA-N 225.251 2.022 0 40 BEAB c1cc[n+](CC2=NCCc3ccccc32)cc1 85409934 AFZPWXMQKAXOSP-UHFFFAOYSA-N 223.299 2.020 0 40 BEAB Cc1cnc(C(=O)N2CC[C@H]3CCCC[C@H]32)cn1 89702226 RAXNGXYFVSWNKJ-DGCLKSJQSA-N 245.326 2.190 0 40 BEAB COc1cccc(C(=O)O)c1C(F)(F)F 91252098 UOBKAUNYVVOXMY-UHFFFAOYSA-N 220.146 2.412 0 40 BEAB CCOc1ccccc1N(C)C(=O)[C@H]1CCOC1 95438316 ZKGHNCUQKDKKIZ-NSHDSACASA-N 249.310 2.085 0 40 BEAB O=Cc1ccc(F)cc1CN1CCSCC1 95738680 MGVFUJHTOKXSAI-UHFFFAOYSA-N 239.315 2.187 0 40 BEAB CCCCC(=O)Nc1cc(CC)nc(C)n1 96425636 SJRJHHREHFMSBV-UHFFFAOYSA-N 221.304 2.476 0 40 BEAB c1cc([C@H]2CCCCN2)n(C2CCC2)n1 96509762 OELCYGHWPKGZGG-LLVKDONJSA-N 205.305 2.423 0 40 BEAB C[C@@H](c1ccncc1)N(C)Cc1csnn1 97113685 PYEGVRTWCXSPHJ-VIFPVBQESA-N 234.328 2.126 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](CN)C(C)(C)C1 217442162 KILFTHXFTRTDPJ-SNVBAGLBSA-N 242.363 2.228 0 40 BEAB c1ccc2c(c1)CN1CCO[C@H]1c1cccn1-2 225377093 PYYNTGBLLXXTRP-AWEZNQCLSA-N 226.279 2.322 0 40 BEAB CN1C[C@@H](CO)[C@@H](c2cccc3ccccc23)C1 225608886 ZNNSSQQNZDAPMD-BBRMVZONSA-N 241.334 2.477 0 40 BEAB Cc1csc(NC(=O)C2CC(F)(F)C2)n1 335212611 NISDIOFAFXQRFM-UHFFFAOYSA-N 232.255 2.435 0 40 BEAB Cc1cc(C)c2c(c1)CC[C@H]2NC[C@@H](C)O 655680508 NJDUAEICUSZFQR-DGCLKSJQSA-N 219.328 2.261 0 40 BEAB CCn1nc(C)cc1-c1cn2c(n1)CCCC2 906179579 VOFMSLWBGGKZQA-UHFFFAOYSA-N 230.315 2.411 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CCC[C@H]2O 953091164 CSQRGDKPKDHLEO-ZWNOBZJWSA-N 241.331 2.301 0 40 BEAB CC(=O)c1c(C)nn(C(=O)c2cccs2)c1C 105674 XLSZSMPHMZYMTA-UHFFFAOYSA-N 248.307 2.453 0 40 BEAB C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]2C1 157025 SLRCCWJSBJZJBV-KBUPBQIOSA-N 234.387 2.345 0 40 BEAB biogenic Nc1ccc(C(=O)NCc2cccs2)cc1 873673 DRESFVGIWUNALR-UHFFFAOYSA-N 232.308 2.260 0 40 BEAB NC(=O)c1ccccc1SC(F)F 2382139 JTEUGWWGGDKERE-UHFFFAOYSA-N 203.213 2.100 0 40 BEAB Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)o1 4108202 HTIWQIPVCIRJKO-LBPRGKRZSA-N 228.251 2.442 0 40 BEAB c1ccc(N2CCC3(CCNCC3)CC2)nc1 4238135 WAXJEURRWLTWEC-UHFFFAOYSA-N 231.343 2.052 0 40 BEAB COCc1c(C)[nH]c2ccc(N(C)C)cc2c1=O 4771926 HYMPQMSSBWQTSZ-UHFFFAOYSA-N 246.310 2.049 0 40 BEAB CC(=O)Nc1ccc(O[C@H]2COCC=C2C)cc1 5241702 QBTYIGJIFZDSDG-AWEZNQCLSA-N 247.294 2.369 0 40 BEAB CCN(CCO)C(=O)Nc1c[nH]c2ccccc12 5299779 RKOYYKJRYNGFEO-UHFFFAOYSA-N 247.298 2.014 0 40 BEAB CCCC(=O)Nc1ccccc1N1CCOCC1 5501746 AQEYBABQSBLQIX-UHFFFAOYSA-N 248.326 2.262 0 40 BEAB C[C@H](NC(=O)c1cnccn1)c1ccccc1F 12900504 NTHNZHKQSKKVQV-VIFPVBQESA-N 245.257 2.107 0 40 BEAB C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCO1 16970907 ZTHUFHDZSOTLRE-JQWIXIFHSA-N 225.332 2.250 0 40 BEAB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccccc1F 19575786 NZRKNMWYVXNMMZ-GXTWGEPZSA-N 248.345 2.494 0 40 BEAB Cc1ccccc1CN[C@@H](C(=O)O)C(C)C 19787734 GYQBUPQNQJAUQR-GFCCVEGCSA-N 221.300 2.194 0 40 BEAB Cc1cc(O)c(NC(N)=S)c(C)c1Cl 20154621 RAQLOKLVIZVZHL-UHFFFAOYSA-N 230.720 2.318 0 40 BEAB CC(=O)c1cccc(NCc2nc(C)no2)c1 24661893 LLLZMNGMLFRRHC-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CNc1cc(Cl)nc(C(F)(F)F)n1 26440912 SAGGJJYJLWSBIG-UHFFFAOYSA-N 211.574 2.191 0 40 BEAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C1CC1 26898133 JBLUXZWVKSRNJN-KGLIPLIRSA-N 245.322 2.229 0 40 BEAB Cc1cccc(C(=O)NCCCn2cccn2)c1 28573370 OJPYCVNYYCLKLP-UHFFFAOYSA-N 243.310 2.012 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@H]2C(C)=O)c1 32013592 MOYSPIFFPCNUDW-QWRGUYRKSA-N 220.268 2.396 0 40 BEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)s1 32548577 KUBVQTGUUQATJS-UHFFFAOYSA-N 233.358 2.133 0 40 BEAB CC(C)CC(=O)CNC(=O)OC(C)(C)C 34590788 WLTURHNCCBMIOQ-UHFFFAOYSA-N 215.293 2.126 0 40 BEAB O=C(Nc1nncs1)c1c[nH]c2ccccc12 35149518 NDAXOYDNOGVULX-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB Cc1ccc(C(=O)N(C)C2CCNCC2)cc1C 36283216 GOZXRTHHOIUBHN-UHFFFAOYSA-N 246.354 2.127 0 40 BEAB C[C@@H](CN)c1ccc(OC(F)F)cc1 37246289 YGOUGGYHHXFORW-ZETCQYMHSA-N 201.216 2.350 0 40 BEAB Cc1cccc([C@@H](CN)N2CCCC2)c1 38808841 BBSLVZVOUQMTNI-CYBMUJFWSA-N 204.317 2.091 0 40 BEAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)no1 40462812 AXDYZJBCDDBNHB-SECBINFHSA-N 206.245 2.278 0 40 BEAB COc1ccc(-c2onc(C(=O)O)c2C)cc1 41260292 YAWVTDJJBKSDTD-UHFFFAOYSA-N 233.223 2.357 0 40 BEAB O[C@H](c1cnn(-c2ccccc2)c1)C(F)(F)F 42268742 FFYRLQHGYWNWAI-SNVBAGLBSA-N 242.200 2.468 0 40 BEAB in-vitro COc1ccccc1COC[C@H]1CCCNC1 42775986 PWMUSBJLRJBNCY-LBPRGKRZSA-N 235.327 2.211 0 40 BEAB COc1cccc(COC[C@@H]2CCCNC2)c1 42782990 LYIYYJPFWJYZHT-CYBMUJFWSA-N 235.327 2.211 0 40 BEAB COc1cc(C(F)(F)F)ccc1CCN 44398002 NVQMGFPZIKSOPR-UHFFFAOYSA-N 219.206 2.215 0 40 BEAB COCC(=O)N1CCC[C@H]1c1ccsc1 46913986 BZDQKEMGWPFMAL-JTQLQIEISA-N 225.313 2.058 0 40 BEAB CCOC(=O)c1ccnc(Cl)c1F 47203083 LEDJRPLIHUMFFL-UHFFFAOYSA-N 203.600 2.051 0 40 BEAB CC(C)O[C@@H](CN)c1c(F)cccc1F 62711811 DJHWTFSINYGMKK-JTQLQIEISA-N 215.243 2.390 0 40 BEAB Cc1ccc(CNC(=O)c2ccc(F)nc2)cc1 69704260 QKRGNSPFHXLCPB-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB CCO[C@H](C)c1ccc(CC(=O)OC)cc1 72220186 SUZYQAXUXYRCOT-SNVBAGLBSA-N 222.284 2.500 0 40 BEAB CC(=O)c1c(F)cccc1N[C@@H](C)CCO 77226349 MPTAEAYQHLJSKQ-QMMMGPOBSA-N 225.263 2.211 0 40 BEAB COCCN(C)[C@H](C)Cc1cccs1 81572991 FXGLBYMJWCCFTG-SNVBAGLBSA-N 213.346 2.257 0 40 BEAB COCCN1C[C@@H](C)[C@H]1c1ccccc1 81575123 SOYYRQOYUDFRHQ-YPMHNXCESA-N 205.301 2.326 0 40 BEAB Brc1cccc([C@H]2CCN2)c1 84178948 RBMKGJLVXVPZFJ-SECBINFHSA-N 212.090 2.484 0 40 BEAB in-vitro CCN(C)C(=O)/C=C/c1ccnc(Cl)c1 84760718 CFINDMLFVHTVOP-SNAWJCMRSA-N 224.691 2.227 0 40 BEAB N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 86249723 ILGZVSPVFCLHES-ZJUUUORDSA-N 215.655 2.268 0 40 BEAB C[C@@H]1SCCN(C(=O)C2CCC2)[C@H]1C 89920007 SSPODGTZOLVENR-IUCAKERBSA-N 213.346 2.139 0 40 BEAB FC(F)Oc1ncccc1Br 91365425 NBQNVZVXSBNLGN-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB NC1(c2ncccc2C(F)(F)F)CC1 91691823 LGYYGGWLIRRCRY-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CC(=O)SCC(F)(F)C(F)(F)F 95347625 ADIIXGLZIWCYND-UHFFFAOYSA-N 208.151 2.464 0 40 BEAB in-vitro CCNc1ncc(C(=O)NOC(C)(C)C)s1 95977859 XJAPKVXZYCBSHQ-UHFFFAOYSA-N 243.332 2.035 0 40 BEAB C[C@H]1C[C@H]2CN(Cc3ccncc3)CC[C@@H]2O1 96070511 PDXDTMUYPGKYHA-UBHSHLNASA-N 232.327 2.081 0 40 BEAB CN(C(=O)[C@H](N)c1ccccc1)C1CCCCC1 96301045 DETAUKPVRFXKJM-CQSZACIVSA-N 246.354 2.478 0 40 BEAB in-vitro CO[C@H](C)c1nc(N)cc(C2CCCC2)n1 96529224 BCNBHDUHOCCQEJ-MRVPVSSYSA-N 221.304 2.424 0 40 BEAB CCSCCOc1cc(C(N)=O)ccc1C 97046844 NJNOAFGFOJBJJU-UHFFFAOYSA-N 239.340 2.226 0 40 BEAB CCn1cnnc1CNC[C@H]1C(C)=CCC[C@@H]1C 97098596 YUBSXKJSLDQTAC-STQMWFEESA-N 248.374 2.380 0 40 BEAB Cc1ccc2cc(C(=O)N3CCCO3)[nH]c2c1 97163159 ZLSRLTSEWUIEDT-UHFFFAOYSA-N 230.267 2.254 0 40 BEAB C[C@@H](C(=O)Nc1cnccn1)c1cccs1 97379872 SLUKBNIUPZPROP-MRVPVSSYSA-N 233.296 2.280 0 40 BEAB C[C@@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CCC(=O)O 103612228 KXIHOSNFVBVESP-RBLKWDMZSA-N 212.289 2.038 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@H]([C@@H](CN)CO)C2 103635619 OCNAGPQNZVNTGV-SRRSOLGSSA-N 211.349 2.016 0 40 BEAB Cc1ccc(C)c(Cc2cc(C)n[nH]c2=O)c1 199773347 KAHIZDBZOZCBEO-UHFFFAOYSA-N 228.295 2.286 0 40 BEAB CCn1ncc2nc(Cl)nc(Cl)c21 222537110 AANGWRILLZTMJI-UHFFFAOYSA-N 217.059 2.153 0 40 BEAB Cc1noc(COc2c(F)cccc2F)n1 336333564 NNWWYSVIFCCOJH-UHFFFAOYSA-N 226.182 2.235 0 40 BEAB Cc1cc(C)nc(OC2CCSCC2)n1 585651493 OQKFQPCWZXJWOU-UHFFFAOYSA-N 224.329 2.368 0 40 BEAB Cn1ncc2c1CN(C[C@]1(C)CCCS1)C2 639319291 FOECKGBJFJNACW-LBPRGKRZSA-N 237.372 2.021 0 40 BEAB COc1cc2c(cc1OC)C(C)=[N+](C)C(C)(C)C2 178873 PGABDXKTZMUXMZ-UHFFFAOYSA-N 248.346 2.490 0 40 BEAB O=C(N1CCSc2ccccc21)n1ccnc1 45795959 QFDVCQYIAJQTKP-UHFFFAOYSA-N 245.307 2.464 0 40 BEAB CCOC(=O)C(F)(F)C(=O)c1ccccc1 1496847 DCGGVYJJQIYTNH-UHFFFAOYSA-N 228.194 2.068 0 40 BEAB O=C(O)c1ccccc1C(=O)c1ccco1 1613560 LOQBQVAJOUMEIG-UHFFFAOYSA-N 216.192 2.209 0 40 BEAB CC(=O)OCC1(C(=O)c2ccccc2)CC1 1717775 CZQWWSJFVDFWON-UHFFFAOYSA-N 218.252 2.213 0 40 BEAB N[C@@H](C(=O)O)c1cc(Cl)ccc1Cl 3676799 GIXVDSMZGIUWPA-SSDOTTSWSA-N 220.055 2.078 0 40 BEAB O=C1C[C@@H](c2ccccc2O)Cc2[nH]ncc21 8021434 IKVWLVAHRJOKTB-QMMMGPOBSA-N 228.251 2.028 0 40 BEAB CC[C@H](N[C@@H]1C=Cc2ccccc21)C(=O)O 8730596 IQHUSHSXPCEVKW-NWDGAFQWSA-N 217.268 2.207 0 40 BEAB Cc1ccnc(NC(=O)c2ccco2)c1 326853 HOXYHBBSTSWWKC-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C1CC1 102183031 WANGUCMOSQJJHM-JBLDHEPKSA-N 205.301 2.210 0 40 BEAB CC(C)CNC(=O)[C@H](C)Sc1ccccn1 32774304 RVUPUEWPXNMPOF-JTQLQIEISA-N 238.356 2.334 0 40 BEAB CCOc1ccc([C@H]2C[C@H]2CNC)cc1 54588791 NIFATAJCKVXGJO-WCQYABFASA-N 205.301 2.408 0 40 BEAB CN(C(=O)c1ccncc1)C1CCCC1 32845556 XIDLECRGKXHVBD-UHFFFAOYSA-N 204.273 2.096 0 40 BEAB C[C@H]1Oc2c(C(=O)N(C)C)cccc2[C@H]1C 32820095 NSSNZERKLFXAST-DTWKUNHWSA-N 219.284 2.273 0 40 BEAB Nc1ccccc1-c1nnc(C2CC2)o1 50309042 QACSLKNQZKITPN-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB CCOc1cc(Cl)c(C(=O)OC)cc1N 117107464 OYSFYRBWOJAGHW-UHFFFAOYSA-N 229.663 2.108 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)C(=O)C2 103866338 YYCAGVRICFXYHB-NRPADANISA-N 243.278 2.065 0 40 BEAB in-vitro Cc1cc(C(=O)O)c(C)n1Cc1ccccn1 12526558 JUKMTKLRGDLEGF-UHFFFAOYSA-N 230.267 2.246 0 40 BEAB in-vitro CCCc1c(C)nc(N)nc1OCC(F)(F)F 1237278 ODGBRFAHLLZIJL-UHFFFAOYSA-N 249.236 2.261 0 40 BEAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C)[C@H]1[C@@H]2C 2094990 XECHVXPHGHIOKX-JZRPKSSGSA-N 210.317 2.232 0 40 BEAB biogenic Cc1cc(C)c(S(=O)(=O)NC2CC2)cc1C 28577466 ZQNOYPSXDNGVIL-UHFFFAOYSA-N 239.340 2.053 0 40 BEAB Cc1noc(C)c1CN[C@@H](C)[C@H](C)n1cccn1 69368799 NFPKGUAXOXIWSV-ONGXEEELSA-N 248.330 2.227 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCC2CC2)c1 69491848 HLRPQDKSASNQIN-GHMZBOCLSA-N 207.321 2.141 0 40 BEAB CN(C)c1cccc2c([S@](=O)O)cccc12 13526788 LKTFTQORKJPRNB-UHFFFAOYSA-N 235.308 2.486 0 40 BEAB CC(=O)NCc1ccc2c3c(cccc13)C(=O)N2 4284086 NHSKWJKZCSJKHB-UHFFFAOYSA-N 240.262 2.042 0 40 BEAB O=C(Nc1ccc2nn[nH]c2c1)NC1CCCC1 89807616 IHRWVXPLRRUKKT-UHFFFAOYSA-N 245.286 2.022 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 5560000 VVBRWFBHPKUVOI-GZMMTYOYSA-N 205.257 2.290 0 40 BEAB Cc1cc([C@H]2CCCN2CCN)sc1C 22763080 WANDVQYSFFJOEI-LLVKDONJSA-N 224.373 2.461 0 40 BEAB Cc1cc(-c2nnc3ccccn23)ccc1N 19505100 WTOVBGFEPYHXQZ-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB in-vitro COc1ccccc1CCNCc1c[nH]nc1C 97159234 SNBGXUZFAHLBOG-UHFFFAOYSA-N 245.326 2.059 0 40 BEAB CCCCNC(=O)NCC(CC)(CC)CCO 72305568 SOFCWOHBPOFFAT-UHFFFAOYSA-N 244.379 2.275 0 40 BEAB CCOc1cccc(NC(=O)[C@H]2C[C@@H]2C)n1 76093327 JPUURTLIXAVHNS-IUCAKERBSA-N 220.272 2.075 0 40 BEAB C[C@@H]1C[C@H](CNC(=O)Nc2cccnc2)CCO1 95457620 KBLYHTUHHRWCNZ-GHMZBOCLSA-N 249.314 2.018 0 40 BEAB Cc1c(CCNC[C@H]2CC=CCC2)cnn1C 95434130 UBNCMUSIGUAEDI-ZDUSSCGKSA-N 233.359 2.217 0 40 BEAB CCC[C@](C)(O)C(=O)Nc1cccc(C)c1O 95443694 IVCZCKHHZBRMQF-ZDUSSCGKSA-N 237.299 2.190 0 40 BEAB O=C(O)C1CCN(CCC2CCCC2)CC1 78526336 UBFOOUGSRGMZSN-UHFFFAOYSA-N 225.332 2.363 0 40 BEAB COC(=O)c1cccnc1NCc1ccccc1 34252802 STKKLYQFDLIXRG-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB O=CN1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213825 PHQCUSXHQXWHAB-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB CCOCC(=O)N1CCC[C@H]2CCCC[C@@H]21 32819546 FPCXYDXSFSIYAL-NEPJUHHUSA-N 225.332 2.204 0 40 BEAB O=C(CCCn1cccc1)NCc1ccco1 49030968 DBLZCTKOHQNYQJ-UHFFFAOYSA-N 232.283 2.178 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](N)CC1(C)C 84506517 XEDCFYKXFOXJOD-VIFPVBQESA-N 228.336 2.123 0 40 BEAB CC(C)(C)Nc1ccc(C(=O)NC2CC2)cc1N 225408440 CXVSWOKSNRDRME-UHFFFAOYSA-N 247.342 2.371 0 40 BEAB Cc1nc2ncnc(N3C[C@H](C)C[C@@H](C)C3)c2[nH]1 41123974 DZSKCVMHJWQCMH-RKDXNWHRSA-N 245.330 2.144 0 40 BEAB NCc1cnn([C@@H]2C[C@H]2c2ccc(F)cc2)c1 514264587 KOZJAARUXDZAIJ-QWHCGFSZSA-N 231.274 2.210 0 40 BEAB CCCOCCOC(=O)[C@@H](CC)N(CC)CC 95943894 UDHRTZNKWAMXBV-GFCCVEGCSA-N 245.363 2.077 0 40 BEAB C[C@@H]1CC[C@@H]1COc1ncccc1C(=O)O 96526358 VJBNKAQYQMCIFQ-RKDXNWHRSA-N 221.256 2.205 0 40 BEAB O=C(O)[C@@H]1CCc2ccccc2N1CC1CC1 96510397 SKGHRIZPRKMFMF-ZDUSSCGKSA-N 231.295 2.302 0 40 BEAB COC(=O)c1cnn(CC(C)C)c1C(F)F 95097680 ILWMPTLTHJCKEO-UHFFFAOYSA-N 232.230 2.263 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1cccnc1Cl 242750729 ZXXKJEMOKZMKSL-DTWKUNHWSA-N 226.707 2.175 0 40 BEAB Clc1cccc(CNCCn2ccnc2)c1 41041717 BAJPUQGATIEMHV-UHFFFAOYSA-N 235.718 2.326 0 40 BEAB in-vitro CCCn1nc(C)cc1CNc1c(C)cnn1C 256054773 XSBNYURKXLXWQQ-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CCCN1B(C)N(CCC)B(C)N(CCC)B1C 261508188 QHUMZDYVHLFPNK-UHFFFAOYSA-N 248.829 2.490 0 40 BEAB CC1(C)Cc2cccc(O[C@@H]3CC[C@H]3O)c2O1 704095269 PASAMCAXUVWFRQ-GHMZBOCLSA-N 234.295 2.302 0 40 BEAB c1cc(CNc2ncnc3c2CCCC3)ccn1 94871852 NXPXNHBOYCCPCF-UHFFFAOYSA-N 240.310 2.363 0 40 BEAB CCN(CC)CCS[C@H]1CCO[C@H]1C 97139666 MBLKRZTUPPYNSH-QWRGUYRKSA-N 217.378 2.239 0 40 BEAB CCc1ncnc(N2C[C@H]3CCC[C@H]3C2)c1F 271131922 VPSZGVKRKFNXOY-AOOOYVTPSA-N 235.306 2.414 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2NCCC[C@H]21 257962647 DVZCLSHSZDQPBD-GMTAPVOTSA-N 240.347 2.042 0 40 BEAB CCCCCNC(=O)C(=O)Nc1ccccc1C 5184305 IBRDTUASEWVHCO-UHFFFAOYSA-N 248.326 2.240 0 40 BEAB CCC(CC)C(=O)N[C@H]1CCCc2c1cnn2C 13566654 UJHFECYAEAZZSI-LBPRGKRZSA-N 249.358 2.350 0 40 BEAB COc1ccc2[nH]c([C@@H]3CCCNC3)nc2c1 19737155 YHICTPQUHTWILB-SECBINFHSA-N 231.299 2.039 0 40 BEAB C[C@H](Cn1cccn1)NCCCc1ccccc1 35272248 LENIYDOYZXIUBH-CQSZACIVSA-N 243.354 2.494 0 40 BEAB COCC(=O)N[C@@H](C)c1ccc(SC)cc1 40089050 GHMLWSYRQQIHMA-VIFPVBQESA-N 239.340 2.232 0 40 BEAB FC(F)(F)c1ccc(N2CCC2)nc1 298072931 CTEQQYWFHNSBEV-UHFFFAOYSA-N 202.179 2.311 0 40 BEAB CCN(CC)C(=O)c1[nH]c(C)c(C)c1C 132505 BJFUEJMWVBADGW-UHFFFAOYSA-N 208.305 2.422 0 40 BEAB Cc1cccc(CSc2nccc(=O)[nH]2)c1 142203 KMWUBAOLSNGBHI-UHFFFAOYSA-N 232.308 2.371 0 40 BEAB C1=CC2=NN=C(c3ccccc3)CN2C=C1 1247118 JGJCQHODPYSQEG-UHFFFAOYSA-N 209.252 2.188 0 40 BEAB COC(=O)[C@@H]1CC(C)(C)[C@H]1CCC(C)=O 1718199 NVBQKDWBPLOTBN-ZJUUUORDSA-N 212.289 2.191 0 40 BEAB CNc1ccccc1C(=O)Nc1nccs1 6714501 OMPPQQPISSPRBA-UHFFFAOYSA-N 233.296 2.437 0 40 BEAB C/C=C\CSc1ncnc2[nH]cnc12 8616120 ZQOKFVHJLMNORK-IHWYPQMZSA-N 206.274 2.021 0 40 BEAB C[C@H](NC(=O)NCc1ccc(F)cc1)C1CC1 9256955 OEPHAXLYXFYEPE-VIFPVBQESA-N 236.290 2.423 0 40 BEAB O=C(O)CCc1nc(C2CC2)n2ccccc12 11569879 LTNAJDSVLRDZBE-UHFFFAOYSA-N 230.267 2.229 0 40 BEAB Cc1onc(-c2ccc(N(C)C)cc2)c1C(=O)O 11627979 ANXNUJWZSOZDKY-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB CC(=O)N[C@H]1CCSc2ccccc21 12879118 JMNCBCYPWNFXHQ-JTQLQIEISA-N 207.298 2.360 0 40 BEAB C[C@@H](CNC(=O)c1cnccn1)c1ccccc1 12931374 UMELTQPCLVEGAE-NSHDSACASA-N 241.294 2.010 0 40 BEAB Cc1c(C[C@@H](C)N)c2ccccc2n1C 13693681 CLZHWBQVJZPBRH-SECBINFHSA-N 202.301 2.376 0 40 BEAB c1ccc(COC[C@@H]2CCCNC2)cc1 14631094 QZQDAWTWOLCCAR-CYBMUJFWSA-N 205.301 2.203 0 40 BEAB in-vitro COC(=O)[C@]1(C)CC(F)(F)[C@@]1(F)Cl 15442377 VGWGXHZRSLQQGI-CAHLUQPWSA-N 216.586 2.109 0 40 BEAB Cc1ccc(NC(=S)NC2CC2)c(O)c1 16970592 MFNPMJVBCDISKE-UHFFFAOYSA-N 222.313 2.149 0 40 BEAB O=C(Nc1ccc(Cl)cc1)C1CCNCC1 19412575 BWHUGLBSNCRSPC-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB Fc1ccc(-c2onc3c2CNCC3)cc1 19723237 USYUVJOLONFMHW-UHFFFAOYSA-N 218.231 2.126 0 40 BEAB FC(F)(F)c1nc2cc3c(cc2[nH]1)OCCO3 31943951 OLSZKLHMBQCERH-UHFFFAOYSA-N 244.172 2.353 0 40 BEAB Cc1cccc(C)c1[C@@H](O)c1c[nH]cn1 33876211 OCHDQYRNWAVERA-LBPRGKRZSA-N 202.257 2.108 0 40 BEAB O=C(O)Cc1ccccc1-c1ccncc1 34617944 WIXBAKSNYQTPOT-UHFFFAOYSA-N 213.236 2.376 0 40 BEAB Cc1n[nH]cc1CN[C@H](C)c1ccco1 36901756 SAUSLNOXKQUZJE-SECBINFHSA-N 205.261 2.162 0 40 BEAB CC[C@H](C)CN[C@H](C)c1nnc2ccccn12 36968858 PJJNLTPHDNPZOP-WDEREUQCSA-N 232.331 2.426 0 40 BEAB C=CC(=O)Nc1cc2c(cc1Cl)OCCO2 37002464 WIXIMIANLOKFGF-UHFFFAOYSA-N 239.658 2.236 0 40 BEAB COc1ccccc1C[C@@H](C)NC1CC1 37183801 PPBVRGUGIVSBGR-SNVBAGLBSA-N 205.301 2.378 0 40 BEAB N[C@H]1C[C@H]1c1ccccc1Br 37381667 AMHNTDLMRMXDEC-CBAPKCEASA-N 212.090 2.264 0 40 BEAB O[C@H]1CCCC[C@@H]1n1cc(Cl)cn1 38053934 HUSKQOMRXWIBPN-IUCAKERBSA-N 200.669 2.013 0 40 BEAB CCc1ccccc1NC(=O)NCCCOC 40526472 GQPPBKCSHIHNNY-UHFFFAOYSA-N 236.315 2.407 0 40 BEAB Fc1ccc(COC[C@@H]2CCCNC2)c(F)c1 42782975 KFYNKGMGLFUPSP-SNVBAGLBSA-N 241.281 2.481 0 40 BEAB Cc1ccc(CO)c(Br)c1 44198604 RAJNCYHWPIQECA-UHFFFAOYSA-N 201.063 2.250 0 40 BEAB in-vitro C[C@H]1C[C@@H](C)CN(C(=O)CC(F)(F)F)C1 44596466 KNHIFHPPHBRRKU-OCAPTIKFSA-N 223.238 2.443 0 40 BEAB COc1cccc(CNC(=O)CC(F)(F)F)c1 44598628 QCWLZTUJSDZDRH-UHFFFAOYSA-N 247.216 2.264 0 40 BEAB OCCN(Cc1ccccn1)C1CCCCC1 50106442 MFVGEDHLPRKKBY-UHFFFAOYSA-N 234.343 2.209 0 40 BEAB Cc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1F 61120439 BIUCUTMTNNFBLM-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB CCCNC(=O)c1c[nH]nc1-c1ccccc1 70193542 MAWNIOGMPSDPQS-UHFFFAOYSA-N 229.283 2.217 0 40 BEAB CC(=O)c1c(F)cccc1NC[C@H](O)C1CC1 80678120 LVKCHJMXYBOARY-LBPRGKRZSA-N 237.274 2.211 0 40 BEAB N[C@]1(C(F)(F)F)CCOc2ccccc21 82670681 FHCGDLYJLFWABY-SECBINFHSA-N 217.190 2.185 0 40 BEAB CCCCOC(=O)C[C@@H](CN)CC(C)C 83862701 OGRKAVNDQXSMDT-NSHDSACASA-N 215.337 2.341 0 40 BEAB COc1ccc([C@H](O)c2ccccn2)c(C)c1 87753981 SXHYICABJMOZGX-AWEZNQCLSA-N 229.279 2.480 0 40 BEAB C[C@]1(CO)CCC[C@@H]1NC1CCSCC1 89919264 AXDXLOYECWKQME-NWDGAFQWSA-N 229.389 2.023 0 40 BEAB O=C1OCc2ccc(C(F)(F)F)cc21 95803763 GKNSPAIMGVILDM-UHFFFAOYSA-N 202.131 2.376 0 40 BEAB CCN1CCC(c2nc3ccc(C)cn3n2)CC1 96260696 BYMOXGNKBYNQBC-UHFFFAOYSA-N 244.342 2.237 0 40 BEAB Cc1nn2c(c1C(=O)O)N[C@H](c1ccccc1)C2 96530333 JDUQHGKLVIXIBT-JTQLQIEISA-N 243.266 2.057 0 40 BEAB Cc1cc(CNCc2c[nH]nc2C)ccc1F 97159491 DITPQEVPBHTBKU-UHFFFAOYSA-N 233.290 2.455 0 40 BEAB COC(=O)[C@H](C)SCc1ncccc1C 97165354 SIEBRYRRQKUEKH-VIFPVBQESA-N 225.313 2.185 0 40 BEAB CCc1cc(CC)n(-c2ncncc2Cl)n1 97848844 GUOLOWNZGIPRKF-UHFFFAOYSA-N 236.706 2.441 0 40 BEAB CCc1cnc(NC(=O)N2CCCC2)s1 98014277 AUTZFUGAGBYBRZ-UHFFFAOYSA-N 225.317 2.333 0 40 BEAB N[C@H]1CC[C@H](NCc2cccc(F)c2)CC1 100173867 ZNVUEOTZVJJFLE-BETUJISGSA-N 222.307 2.185 0 40 BEAB O[C@H]1C[C@@H]2CC[C@@H]1N(Cc1ccccc1)C2 100469215 LSQZRPLAUOVRPZ-IHRRRGAJSA-N 217.312 2.032 0 40 BEAB CC1=CC[C@]23O[C@]2(C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]13 103947192 CBRKCJOSZHRKFH-MDFWMIKMSA-N 248.322 2.452 0 40 BEAB O=C(c1ccc(N2CCOCC2)cc1)C1CC1 115634189 KMYJDXQMDJPVHC-UHFFFAOYSA-N 231.295 2.116 0 40 BEAB COC(=O)c1ccc(N2CCCCC2=O)c(C)c1 116299107 BQGYGRAPLFRUMU-UHFFFAOYSA-N 247.294 2.299 0 40 BEAB CC1(C)OCc2cc([C@H]3CNC(=O)O3)ccc2O1 117759693 JUEBDVANOFZMMX-LLVKDONJSA-N 249.266 2.113 0 40 BEAB in-vitro CNc1cncc([C@H]2CCCN(C(C)C)C2)n1 257242019 IARWSECSANASDI-NSHDSACASA-N 234.347 2.106 0 40 BEAB CCO[C@H](C)n1nc(C(F)(F)F)cc1C=O 408715694 CNJNAFJOWDGHKU-ZCFIWIBFSA-N 236.193 2.269 0 40 BEAB O=C(O)CSc1ccc2ccccc2n1 324466 WOZJGFBFMIWEGN-UHFFFAOYSA-N 219.265 2.412 0 40 BEAB Brc1ccc2ncccc2n1 331045 BKYZLQUIVDRXKW-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro CCC(=O)Oc1cccc(OC(=O)CC)c1 1684737 UKDWCDFYKUAITL-UHFFFAOYSA-N 222.240 2.317 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1ccncc1 3079268 CVWXSKOMZXTDAA-GFCCVEGCSA-N 218.300 2.486 0 40 BEAB CC[C@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 3187345 MZTIDXRCGRYYCF-WSMDXJOWSA-N 237.343 2.297 0 40 BEAB O=C1NC2(CCCCC2)N=C1c1ccc(F)cc1 4077873 MINSANSNCSFRBU-UHFFFAOYSA-N 246.285 2.405 0 40 BEAB COc1cc2c(c([N+](=O)[O-])c1OC)C[C@@H]1C[C@H]21 4593368 QEIJOZIJVWLNGV-BQBZGAKWSA-N 235.239 2.272 0 40 BEAB CC[C@@H](C)NC(=O)c1ccccc1NC(C)=O 5467757 YGTRKDSGZSHMIK-SECBINFHSA-N 234.299 2.173 0 40 BEAB COc1ccc2nc(C(F)(F)F)nc(O)c2c1 5800153 CCFVEOOUBBFZNV-UHFFFAOYSA-N 244.172 2.363 0 40 BEAB CCc1ccc(-c2nnc(S)[nH]2)cc1 6496983 MQZUQQWBBMVHFY-UHFFFAOYSA-N 205.286 2.323 0 40 BEAB in-vitro CCC(=O)NCCc1ccc2c(c1)CCCN2C 13006700 SJEGLQDFLAWPSL-UHFFFAOYSA-N 246.354 2.138 0 40 BEAB Cn1ccc(NC(=O)c2cccc(Cl)c2)n1 14857422 OPXVRECCWLWERE-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB CCC(=O)Nc1cccc2nsnc12 17083466 DVVHICJERPRXIY-UHFFFAOYSA-N 207.258 2.040 0 40 BEAB Cc1ccc([C@@H](C)N2CCNCC2)c(C)c1 19735299 ASFKAOFDNOMVHD-CYBMUJFWSA-N 218.344 2.270 0 40 BEAB COc1ccc(OC)c([C@H](N)C(F)(F)F)c1 19967657 XZMHLDHBTUYWEX-VIFPVBQESA-N 235.205 2.266 0 40 BEAB CC(C)c1noc(-c2ccc(N)cc2)n1 19988372 PFZLIKCCNILMDK-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20488086 PFQQYWKDKAOBLN-NSHDSACASA-N 221.300 2.125 0 40 BEAB CCOP(=O)(OCC)[C@@H](N)C(F)(F)F 20840877 BPFUBLZRCYWAEB-RXMQYKEDSA-N 235.142 2.100 0 40 BEAB Cc1cc(-n2cccn2)c2cccc(O)c2n1 21984891 CGFXFJLDDGWLRC-UHFFFAOYSA-N 225.251 2.435 0 40 BEAB COc1ccc(Oc2ccc(CN)cn2)cc1 22210109 ZOXMLFBPKXJGBJ-UHFFFAOYSA-N 230.267 2.341 0 40 BEAB S=c1[nH]ccn1Cc1ccc2c(c1)OCO2 26422959 IMWXIXGERSIQHM-UHFFFAOYSA-N 234.280 2.323 0 40 BEAB CCn1ccc(NC(=O)Cc2ccc(F)cc2)n1 27930084 FKDVZNYZCMNTBZ-UHFFFAOYSA-N 247.273 2.223 0 40 BEAB CC(C)(C)C1=NO[C@H]([P@](C)(=O)O)C1 33901761 GXUPUFYVANJJEN-SSDOTTSWSA-N 205.194 2.035 0 40 BEAB Brc1ccccc1-c1cn[nH]n1 34027814 FMNFGAAZKHHVAD-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1 34157342 NGWCOXQDKOTBDE-UHFFFAOYSA-N 246.266 2.058 0 40 BEAB CC[C@](C)(C(=O)OC)N1C[C@@H](C)C[C@H](C)C1 35655767 IMWNBBNBQVEZCR-GMXVVIOVSA-N 227.348 2.306 0 40 BEAB CC[C@H](C)CN[C@@H](C)c1nnc2ccccn12 36968854 PJJNLTPHDNPZOP-QWRGUYRKSA-N 232.331 2.426 0 40 BEAB CN(C)C(=O)CN[C@H]1CCCC[C@H]1C(C)(C)C 37207477 DDIOPXRIDRCGHI-NEPJUHHUSA-N 240.391 2.269 0 40 BEAB NC(=O)[C@@H](NC1CCCCC1)c1ccccc1 37855722 XGWSOHUPUKOODX-ZDUSSCGKSA-N 232.327 2.135 0 40 BEAB COc1ccc([C@@H]2CCCNC2)cc1F 38539159 BHMIZWOGDWEVOB-SNVBAGLBSA-N 209.264 2.301 0 40 BEAB Cc1ccccc1CN(C)[C@H]1C[C@H](C)OC1=O 40477634 UTEPJJPZARQIRX-AAEUAGOBSA-N 233.311 2.131 0 40 BEAB CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C 41174392 XKDIIOVLCBFMFF-ZDUSSCGKSA-N 233.311 2.385 0 40 BEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC1 60633582 SWVAOXPYZLCMIS-UHFFFAOYSA-N 245.200 2.431 0 40 BEAB CC(=O)OCC(=O)c1ccc2c(c1)CCCC2 61574797 JPCKEMOQAJHNRD-UHFFFAOYSA-N 232.279 2.311 0 40 BEAB CCOC(=O)c1cnc(OCC)cc1OCC 71256169 QMUGTTKTIVEUSM-UHFFFAOYSA-N 239.271 2.056 0 40 BEAB CCOc1ccccc1-c1cnc(CN)o1 72220121 LKTQKMOARHNIRK-UHFFFAOYSA-N 218.256 2.199 0 40 BEAB CCCN1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O 72233468 QHWWDUVUCNSWNF-OLZOCXBDSA-N 249.310 2.003 0 40 BEAB Cn1cnnc1[C@@H]1CCCN1C1CCCCC1 72356843 UNLRHPGKUCFNLU-LBPRGKRZSA-N 234.347 2.285 0 40 BEAB CC(C)(C)n1nccc1[C@@H]1CCCNC1 75869864 ALGBEHHQUQHNGO-SNVBAGLBSA-N 207.321 2.105 0 40 BEAB CCN(CC(=O)O)c1ccc(C)cc1C 76583966 MLUPWBKCOXMAIC-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB Cc1cc(C)c(C[C@@H](C(=O)O)N(C)C)c(C)c1 84532313 MCVXTKMNMVFVQX-ZDUSSCGKSA-N 235.327 2.169 0 40 BEAB CCO[C@@H]1C[C@H](N(C)C(C)=O)C12CCCC2 84800818 YBYWZUVNRBPVRD-NWDGAFQWSA-N 225.332 2.203 0 40 BEAB CCc1nsc(NCc2c(C)noc2C)n1 86113258 GWRBYVARNRHKLX-UHFFFAOYSA-N 238.316 2.317 0 40 BEAB COCCCn1ccc(NCc2ccco2)n1 89410414 CFSOHSARYJJKMR-UHFFFAOYSA-N 235.287 2.125 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 91692169 AULAXUOXHOEPKW-MNOVXSKESA-N 208.232 2.492 0 40 BEAB C[C@H]1OCC[C@H]1Sc1ccc2nccnc2n1 97021245 AGQPHFRTFSHPNK-PSASIEDQSA-N 247.323 2.294 0 40 BEAB Cc1nsc(NC(=O)C2(C)CCCC2)n1 98015954 HTQMWXGHDHXBFB-UHFFFAOYSA-N 225.317 2.365 0 40 BEAB Nc1cc(F)c(OC(F)(F)F)cc1O 98211056 RFBOAUBDRCJOFH-UHFFFAOYSA-N 211.114 2.012 0 40 BEAB OCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 225604439 OVVBWEHDEHIPHK-VHSXEESVSA-N 226.279 2.487 0 40 BEAB O=C(Nc1ccnc(Cl)c1)[C@H]1CCCOC1 236048070 AVQNJGVIGJBGMN-QMMMGPOBSA-N 240.690 2.100 0 40 BEAB CN(C)[C@H]1[C@H]2CC[C@@](C)([C@H]1N(C)C)C2(C)C 245241065 WWHMPEUSLLXFGZ-UHXUPSOCSA-N 224.392 2.303 0 40 BEAB COC(=O)c1cc(Cl)nc2cc[nH]c12 260439954 OTWYNDMHBARUBD-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB C[C@H](Cn1ncc(Cl)c1C(F)F)C(=O)O 408715270 AJVPCUXZMTUEOQ-SCSAIBSYSA-N 238.621 2.195 0 40 BEAB COc1cc(N)cc(C(F)(F)F)c1C=O 585672997 XMIRFQDAXUTRQA-UHFFFAOYSA-N 219.162 2.109 0 40 BEAB Fc1nccc2[nH]c(Br)cc12 952959039 ZMAUKLYAKONZPL-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CC1(C)C(=O)Nc2c(Br)cncc21 953104856 XSFJWCZTSHEONL-UHFFFAOYSA-N 241.088 2.074 0 40 BEAB CCN1CCCc2cc(C(=O)OC)ccc21 1525632366 QDESNHYANQBONP-UHFFFAOYSA-N 219.284 2.246 0 40 BEAB COC(=O)c1cnc2cccc(F)c2c1 1857788515 NEKHLFFCQWXKEJ-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB Brc1cnccc1OC[C@H]1CCO1 1889061976 ADCNXEQOCTWGSY-SSDOTTSWSA-N 244.088 2.012 0 40 BEAB CO[C@@H]1CCc2c1cc1c(c2N)CCC1 2088617609 BVEZCWMJNYITNF-GFCCVEGCSA-N 203.285 2.391 0 40 BEAB Nc1c(C(=O)O)sc2cccc(F)c12 2548573 XLPZZIAXJMTVIV-UHFFFAOYSA-N 211.217 2.321 0 40 BEAB Nc1nc(SC2CCCCC2)c2[nH]cnc2n1 4430601 TXAKYYUGDONDLS-UHFFFAOYSA-N 249.343 2.360 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1Cc2ccc(N)cc2C1 2599348 FIZZCNCGJUVFEU-LBPRGKRZSA-N 248.326 2.261 0 40 BEAB COc1cc(OC)c2cccc(OC)c2n1 68705127 WHRSSLDKQLHKIM-UHFFFAOYSA-N 219.240 2.261 0 40 BEAB O=C(NC1CCN(C2CC2)CC1)c1ccccc1 32752797 WVUVJUOBWPENHJ-UHFFFAOYSA-N 244.338 2.043 0 40 BEAB O=C(CCc1ccco1)N1CCCCC1 32819987 TZUNPEYJILVWFS-UHFFFAOYSA-N 207.273 2.225 0 40 BEAB C=CC(=O)Nc1cccc(Cl)c1-n1cncn1 37008440 WEIOLGHMSZHFCQ-UHFFFAOYSA-N 248.673 2.045 0 40 BEAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccn1 477660 YQTXMNCGPWCMHN-LLVKDONJSA-N 242.278 2.488 0 40 BEAB CCSc1nnc(NC(=O)[C@@H]2C[C@@H]2C)s1 2648647 BLVUYYRLEVJVSH-NTSWFWBYSA-N 243.357 2.245 0 40 BEAB CN(Cc1ccccc1)CC1CCNCC1 11953340 RKONUTWCBKFEFZ-UHFFFAOYSA-N 218.344 2.118 0 40 BEAB in-vitro CN[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1 37181013 WUNPURZYXCZCPK-MRVPVSSYSA-N 233.189 2.051 0 40 BEAB biogenic,in-vitro Cc1ccc(N)cc1NC(=O)c1cnoc1C 22142834 SZIDDSLAXOGIRL-UHFFFAOYSA-N 231.255 2.126 0 40 BEAB CC(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 53641635 QGNMSFNLHNDRCY-GZMMTYOYSA-N 207.273 2.381 0 40 BEAB COC[C@H](C)NCc1ccc(F)cc1C 50569034 PSCBPOAUNZFXNR-JTQLQIEISA-N 211.280 2.259 0 40 BEAB CC(=O)N1C[C@H](C)C(=S)Nc2ccccc21 4127470 SEKLLXUEKZGXLL-QMMMGPOBSA-N 234.324 2.429 0 40 BEAB CC1=NNC(=O)O[C@@]1(C)Cc1ccccc1 6668609 UOXCSMYSSVNXJD-LBPRGKRZSA-N 218.256 2.104 0 40 BEAB Fc1ccc(CN[C@H]2CN3CCC2CC3)cc1 19334692 ODXHPSVOSUKGKP-AWEZNQCLSA-N 234.318 2.010 0 40 BEAB CC[C@@H](C)CN(C)C(=O)c1ccc2[nH]nnc2c1 71896641 RTQCZZXCVMGWHE-SECBINFHSA-N 246.314 2.076 0 40 BEAB CCc1ccc(CN[C@H](C)COC)cc1 19904374 FLOFDWLGTHSQHV-LLVKDONJSA-N 207.317 2.374 0 40 BEAB C[C@H](CCO)NC(=O)CCC1CCCCC1 84637373 UJGRJPFIKSNSCI-LLVKDONJSA-N 227.348 2.234 0 40 BEAB O=C1CCCc2nn(-c3ccccc3)cc21 98210115 ULXFYCXXERDSNV-UHFFFAOYSA-N 212.252 2.391 0 40 BEAB in-vitro O=C(Nc1cc(-c2ccncc2)n[nH]1)C1CCC1 72256124 NYUXBFPOSQEIGB-UHFFFAOYSA-N 242.282 2.210 0 40 BEAB Nc1c[nH]c2c(OC(F)(F)F)cccc2c1=O 1535639506 IYXPKRUTNHDXLL-UHFFFAOYSA-N 244.172 2.009 0 40 BEAB CCCNC(=O)c1cccnc1SCC 72332511 NMBZNYHHYNSQML-UHFFFAOYSA-N 224.329 2.333 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2O1 32907084 CNPUNKIUFHUBDA-QMTHXVAHSA-N 245.322 2.247 0 40 BEAB C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1 36076066 BWBOLIDGHJDZKG-SECBINFHSA-N 239.702 2.201 0 40 BEAB CCSc1ncccc1[C@H]1CCCN1C=O 72217169 JLHSOFHHJBGTDQ-LLVKDONJSA-N 236.340 2.487 0 40 BEAB CN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 49155369 QTOWBYXJSJZEJQ-JTQLQIEISA-N 248.261 2.037 0 40 BEAB biogenic,in-vitro c1ccc2nc(NC[C@H]3CCCNC3)cnc2c1 44029902 WVCMPUROGVKMTA-NSHDSACASA-N 242.326 2.041 0 40 BEAB O=C(O)Cn1cnc2cccc3cccc1c32 85391441 OQJLCVWGWUHKDT-UHFFFAOYSA-N 226.235 2.274 0 40 BEAB CC(C)OC(=O)c1cncc(OC(C)C)c1 93246557 APDOADAQOCEMIG-UHFFFAOYSA-N 223.272 2.434 0 40 BEAB Cc1ncsc1Cn1cnc(C(C)(C)C)n1 335595478 HDRNVQAZEMFBAP-UHFFFAOYSA-N 236.344 2.389 0 40 BEAB Fc1ccc([C@H]2NCCn3cccc32)cc1F 95618452 MFICLFNZXYXVGW-CYBMUJFWSA-N 234.249 2.459 0 40 BEAB O=c1cn[nH]c2c(Cl)cc(Cl)cc12 149706261 FOSMXOORQBYANW-UHFFFAOYSA-N 215.039 2.230 0 40 BEAB CCCN1CC[C@@H](N)[C@H](Cc2ccccc2)C1 242722759 XUDDQMRVXJSXHV-HUUCEWRRSA-N 232.371 2.288 0 40 BEAB CCC(=O)N(C)Cc1ccc(OC)c(OC)c1 49930989 RYJFVPYXQKBGIP-UHFFFAOYSA-N 237.299 2.072 0 40 BEAB Clc1cncc2ncc(Br)n12 66322894 DXUIOWWBZICVCQ-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CCOC(=O)/C=C/c1ccc(OC)c(OC)c1 163464 SUFLQJBENWTBOL-SOFGYWHQSA-N 236.267 2.280 0 40 BEAB CNC(=S)N1CCC(c2ccccc2)CC1 5879384 XSHDQXNHWCSSFK-UHFFFAOYSA-N 234.368 2.370 0 40 BEAB O=C(O)[C@@H](c1ccccc1F)N1CCCC1 16771219 FUZSFRBKGZDGBE-LLVKDONJSA-N 223.247 2.047 0 40 BEAB c1csc(-c2nnc(C3CCNCC3)o2)c1 19780348 MAMOXRRYRPRWGB-UHFFFAOYSA-N 235.312 2.265 0 40 BEAB Cc1cc(Cl)nc(NC(=O)C(C)(C)C)n1 164178 KTXBPDICPVIQGD-UHFFFAOYSA-N 227.695 2.423 0 40 BEAB C[C@H]1COC(c2ccc(C(F)(F)F)cn2)=N1 1942112084 UITFYNBEZIIWCV-LURJTMIESA-N 230.189 2.266 0 40 BEAB CCOC(=O)c1cc(F)c(F)cc1OC 43503487 AFKDZIOYBCZJGA-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB O=C(O)CCN1CCC(c2ccccc2)CC1 20417280 FSFBEIXCOOOWIU-UHFFFAOYSA-N 233.311 2.341 0 40 BEAB CSc1nnc(Cc2csc(C)n2)o1 40456791 OCWVEDRXRZKDCK-UHFFFAOYSA-N 227.314 2.147 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)s1 31391305 PVDJQHWSAQVESR-SECBINFHSA-N 249.339 2.072 0 40 BEAB Cc1nonc1NC(=O)OCc1ccccc1 40363 BUCFPEPEOMXHDD-UHFFFAOYSA-N 233.227 2.127 0 40 BEAB O=S(=O)(c1ccccc1)c1ccc(O)cc1 1593163 JSUKRBMPOXGCPR-UHFFFAOYSA-N 234.276 2.225 0 40 BEAB CC(C)(C)C[C@](C)(O)COC(=S)S 1661148 NECCIJMBYKCCKV-VIFPVBQESA-N 222.375 2.405 0 40 BEAB CCCC(=O)NCCCc1nc2ccccc2[nH]1 2721562 XWSXQEPMLHHNST-UHFFFAOYSA-N 245.326 2.412 0 40 BEAB CCn1nc(C)c(C(=O)n2nc(C)cc2C)c1C 2779312 AGYSRZJEKCWEMA-UHFFFAOYSA-N 246.314 2.022 0 40 BEAB C[C@@H]1Cn2c(Cc3ccccc3)nnc2S1 5760721 OXSIOMYHMIOJAN-SECBINFHSA-N 231.324 2.363 0 40 BEAB Cc1ccc(C)c2c3c([nH]c12)C(=O)NCC3 7518933 SMQHOOKKKFXZGX-UHFFFAOYSA-N 214.268 2.071 0 40 BEAB O=C(/C=C\c1ccccc1)NN1CCCCC1 12417015 FOTGLNLCAHKSQF-KTKRTIGZSA-N 230.311 2.217 0 40 BEAB C[C@H]1CN(c2nc3ccccc3o2)C[C@H](C)O1 12936346 YQNNYXSTVAYHMT-UWVGGRQHSA-N 232.283 2.441 0 40 BEAB O=C(Oc1ccc[nH]c1=O)c1cccc(Cl)c1 13597758 TVVVIJDMLMSZOM-UHFFFAOYSA-N 249.653 2.248 0 40 BEAB COC(=O)c1ccc(-n2cccc2C=O)cc1 13633447 FWTQPUKJGKHTBS-UHFFFAOYSA-N 229.235 2.076 0 40 BEAB in-vitro NC1=Nc2ccccc2Oc2ncccc21 19770029 GTYQGHKBYIWNNF-UHFFFAOYSA-N 211.224 2.224 0 40 BEAB Cc1cc(NC2CCCCC2)nc(N)n1 24775753 QEHUAGMKJBICSZ-UHFFFAOYSA-N 206.293 2.112 0 40 BEAB Nc1ccc(-c2nc3n(n2)CCCCC3)cc1 28047690 MJWDPGZSIHQYRR-UHFFFAOYSA-N 228.299 2.254 0 40 BEAB Cc1ccsc1C(=O)NCCCn1ccnc1 28225862 OMNJFHFKQPHXPM-UHFFFAOYSA-N 249.339 2.073 0 40 BEAB CCC[C@H](C)N(C)C(=O)c1ccc2[nH]nnc2c1 32064896 FTXNMAKQUMLVAZ-VIFPVBQESA-N 246.314 2.219 0 40 BEAB Cc1c(Cl)c(=O)c(Cl)c(C)n1C 32236304 LPOBRZOJBGJACA-UHFFFAOYSA-N 206.072 2.309 0 40 BEAB Cc1cccc(C(=O)Nc2ccncc2)n1 32726497 SDNQCYPLKWGQJW-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCc1ccc(C(=O)NCc2ccncc2)o1 32824504 LPPSWEXMQMZZIG-UHFFFAOYSA-N 230.267 2.167 0 40 BEAB Cc1ccccc1[C@@H]1CCCN1S(C)(=O)=O 35476429 LLPRRNHAGDEQRB-LBPRGKRZSA-N 239.340 2.092 0 40 BEAB COC(=O)[C@H](N)c1cc(Cl)cc(Cl)c1 35629898 MQVMYVLIKSGCBH-MRVPVSSYSA-N 234.082 2.166 0 40 BEAB COCC(=O)c1cc(OC)ccc1Cl 36181656 ZTEZWSAXCVYFBS-UHFFFAOYSA-N 214.648 2.178 0 40 BEAB CC(C)[C@H](N)c1nc2ccccc2n1C 36895893 RRJWFRVOKOQSRC-NSHDSACASA-N 203.289 2.229 0 40 BEAB CN(C)[C@](C)(C(=O)O)c1ccc(Cl)cc1 37357864 CYKHMICFOPJKFO-NSHDSACASA-N 227.691 2.201 0 40 BEAB in-vitro O=C1CCNc2cc(Br)ccc2N1 38998609 JFCIBVBVEVBLKR-UHFFFAOYSA-N 241.088 2.203 0 40 BEAB C[C@H](NS(C)(=O)=O)c1ccc(Cl)s1 39971765 OAGPVEHSINSXOA-YFKPBYRVSA-N 239.749 2.012 0 40 BEAB CCONC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 40476694 VKSQOZWFRYXPCR-MWLCHTKSSA-N 237.299 2.403 0 40 BEAB CC[C@@H](NC(=O)[C@@H](N)C(C)C)c1ccccc1 51628314 SJKGDKJVMHLPIT-OLZOCXBDSA-N 234.343 2.237 0 40 BEAB Cc1cn(-c2ccc(Cl)cc2)nc1N 54404839 CTXMJVLARGENOG-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB in-vitro C[C@@H](C1CC1)N(C)C(=O)CSC(F)(F)F 58266625 VVIWXMAHNPFCNU-LURJTMIESA-N 241.278 2.496 0 40 BEAB Cc1cc(CC(=O)N(C)Cc2ccccc2)no1 62075252 BMIPGAMSDRDLJQ-UHFFFAOYSA-N 244.294 2.184 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@H](O)[C@@H](N)CCO2 62617665 FXSIZWRFJHHEIR-AAEUAGOBSA-N 235.327 2.127 0 40 BEAB CCO[C@H](CN)c1cc(F)ccc1F 62711907 CMTLUWBAVRYCDS-SNVBAGLBSA-N 201.216 2.001 0 40 BEAB Cc1cc(C)cc(NCCc2n[nH]c(C)n2)c1 62719014 ZSNBTGXNTCONRE-UHFFFAOYSA-N 230.315 2.385 0 40 BEAB Cc1cc(NC(=O)c2ccc3c(c2)COC3)no1 64486730 NRMHIODZIPKXLK-UHFFFAOYSA-N 244.250 2.266 0 40 BEAB CCOCCN1C[C@@H](O)C[C@@H]1C1CCCCC1 71907942 RNKSYNIRFYVVBW-UONOGXRCSA-N 241.375 2.038 0 40 BEAB CCNCc1cc(O)ccc1Br 72117948 UONXBOPVWZAMKU-UHFFFAOYSA-N 230.105 2.264 0 40 BEAB O=C1N[C@@H](c2cc(Br)cs2)CO1 72417703 HBTAFFZMAKCCLZ-RXMQYKEDSA-N 248.101 2.292 0 40 BEAB Cc1cc(CN2CCOc3ccccc32)no1 73614762 HPRARMQSBHEKKY-UHFFFAOYSA-N 230.267 2.382 0 40 BEAB CCCCS(=O)(=O)CC(=O)c1ccccc1 81908461 OBTOQSASKQKGRK-UHFFFAOYSA-N 240.324 2.084 0 40 BEAB Cc1[nH]c(-c2ccncc2)cc1C(=O)O 83221996 NGHAENOTAMOHBC-UHFFFAOYSA-N 202.213 2.083 0 40 BEAB in-vitro C[C@H](SC[C@@H](O)CO)c1c(F)cccc1F 89904504 OAYPLTBJUMHENG-YUMQZZPRSA-N 248.294 2.112 0 40 BEAB CC(C)Cc1noc([C@H]2CCCNCC2)n1 95095440 QJEDNHXFDQTFBB-JTQLQIEISA-N 223.320 2.125 0 40 BEAB [O-][n+]1cc(Cl)c(Br)cc1Cl 95836976 RBCGLABZWSPLMV-UHFFFAOYSA-N 242.887 2.389 0 40 BEAB FC(F)Cn1ccc(N[C@H]2CCSC2)n1 95991520 VEMLEVXGOBKVJB-ZETCQYMHSA-N 233.287 2.066 0 40 BEAB N[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 96523535 VYFQPYRYGNABJO-NSHDSACASA-N 242.725 2.402 0 40 BEAB Cc1ccc(Br)c2c1CC[C@H]2NN 199544768 RPRZAPBABPQZHF-SECBINFHSA-N 241.132 2.208 0 40 BEAB CCCNC(=O)Nc1nnc(SCC)s1 225776300 YTLARZAWTTUAOP-UHFFFAOYSA-N 246.361 2.182 0 40 BEAB N=C(Cc1c(F)cccc1C(F)(F)F)NO 228913469 KXFRNEMITJBVRT-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB CCn1nc(C)cc1NCc1ccco1 256049478 ACGYIZQEXGZTIW-UHFFFAOYSA-N 205.261 2.417 0 40 BEAB CC(C)C[C@H](Sc1cnn(C)c1)C(=O)O 256050057 CMBHSHILZFFWBF-VIFPVBQESA-N 228.317 2.012 0 40 BEAB COC(=O)[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 409431643 RRJBIWLHSMLLKD-DZGCQCFKSA-N 245.322 2.072 0 40 BEAB COCCOCC(C)(C)C(F)(F)F 1083807012 PCPXDZQRQULCKQ-UHFFFAOYSA-N 200.200 2.238 0 40 BEAB CCO[C@H](CN(C)C)C(Cl)(Cl)Cl 2031766 FZCUAQVZBBAPEK-ZCFIWIBFSA-N 234.554 2.323 0 40 BEAB O=C(c1ccco1)n1nnc2cc(Cl)ccc21 3670115 AQHFMOQQOWASMK-UHFFFAOYSA-N 247.641 2.366 0 40 BEAB C1=NC[C@H](c2ccc([C@H]3CN=CC=N3)cc2)N=C1 3844851 NSNHRZYMHZIUON-ZIAGYGMSSA-N 238.294 2.079 0 40 BEAB biogenic Nc1nc2cc3c(cc2s1)OCCCO3 3888719 XZTYDDXBQFZSDM-UHFFFAOYSA-N 222.269 2.040 0 40 BEAB in-vitro O=c1ccnc(Nc2ccccc2Cl)[nH]1 4368101 FVCXDADDGPPLNF-UHFFFAOYSA-N 221.647 2.167 0 40 BEAB CC(C)c1ccc(CN(C)[C@H](C)C(N)=O)cc1 7292114 CTAXUALWWMOCNK-LLVKDONJSA-N 234.343 2.116 0 40 BEAB CN[C@@H](c1ccc(Cl)cc1)c1nccn1C 8390493 KZPXLWBEPOVTGV-NSHDSACASA-N 235.718 2.382 0 40 BEAB CCCNC(=S)Nc1ncccc1C 13837334 BKUDHOUKWHTVNE-UHFFFAOYSA-N 209.318 2.086 0 40 BEAB Nc1cc(-c2ccc(Cl)cc2F)n[nH]1 19515355 UEQXJCMGMASTAY-UHFFFAOYSA-N 211.627 2.451 0 40 BEAB CC1=C(O)C(=O)O[C@@H]1C(Cl)(Cl)Cl 19851772 BCWOXLUSWLFSPU-BYPYZUCNSA-N 231.462 2.114 0 40 BEAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CC1 20105472 BVHFVZRXRMPKCF-CYBMUJFWSA-N 233.311 2.431 0 40 BEAB COc1ccccc1[C@H](O)c1ccccn1 37464709 RYTMGNRIMAHOFD-ZDUSSCGKSA-N 215.252 2.172 0 40 BEAB CCN(CC(=O)O)c1cccc(Cl)c1 37474518 XAZHQVDCKDZHFJ-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB Brc1cnc(N2CCCCC2)cn1 38540599 SXASQQOKUXUBLI-UHFFFAOYSA-N 242.120 2.229 0 40 BEAB CCN(CC)[C@H](CN)c1ccccc1F 38901294 IPHWARRUKJJLTB-GFCCVEGCSA-N 210.296 2.167 0 40 BEAB COC(=O)c1ccc(C)c2ncccc12 39347522 SWLCMALWIAJZDZ-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB CCOC(=O)C(=O)c1cc(C)c(OC)cc1C 41269208 ADGJMIPMEPKAPK-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB CCOC(=O)c1cccc(-c2noc(CC)n2)c1 42684343 YKLAIEJAARWSHQ-UHFFFAOYSA-N 246.266 2.476 0 40 BEAB COc1ccccc1COC[C@@H]1CCCNC1 42775981 PWMUSBJLRJBNCY-GFCCVEGCSA-N 235.327 2.211 0 40 BEAB COC(=O)CCC(=O)c1cc(F)ccc1F 43368560 VQTFRRHQPVCEPJ-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB CC[C@@H](C)CN[C@@H](CC(C)C)C(=O)O 43432829 SMPOLFVHBCTPIZ-ZJUUUORDSA-N 201.310 2.121 0 40 BEAB CN[C@H]1CCN(Cc2ccccc2)C[C@H]1C 49708355 IHQIWSDHRQUUHL-OCCSQVGLSA-N 218.344 2.116 0 40 BEAB in-vitro FC(F)(F)c1ccc(OC[C@@H]2CCCN2)nc1 51866257 VCVDDSKWQIVXEI-VIFPVBQESA-N 246.232 2.231 0 40 BEAB CCC(=O)NCCCN(C)c1ccccc1 57288327 CVYNJGHMNIBDDH-UHFFFAOYSA-N 220.316 2.039 0 40 BEAB CCS(=O)(=O)Nc1ccc(Cl)cc1C 70223791 RSWVXMBUCJTXQN-UHFFFAOYSA-N 233.720 2.410 0 40 BEAB Cn1nc(-c2cc(F)ccc2F)cc1C(=O)O 71548612 MLDPVIHHQPPLQW-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB CC[C@@H](C[C@H](C)CO)Nc1cncc(Cl)n1 76084086 JHMSHMTTZASCRA-IUCAKERBSA-N 243.738 2.339 0 40 BEAB CO[C@H](C)CCOC(=O)c1cc(C(C)C)[nH]n1 76091094 FZOWHLRDZLUIKF-SECBINFHSA-N 240.303 2.115 0 40 BEAB c1ccc(O[C@H]2COCCN(CC3CC3)C2)cc1 77265849 YOCZCMUUYGYRJI-OAHLLOKOSA-N 247.338 2.176 0 40 BEAB biogenic,in-vitro COC(=O)Cc1ccc(C(F)(F)F)cc1N 91301590 XJMXSWFKZFNAIV-UHFFFAOYSA-N 233.189 2.003 0 40 BEAB CC(=O)O[C@H](C)C(F)(F)[C@@H](F)C(F)(F)F 95864327 CBTVHNOBDMIRTL-NQXXGFSBSA-N 238.127 2.474 0 40 BEAB CCOc1c(Cl)cccc1CC(=O)O 96300646 QQBLIHKAWVVJNI-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB in-vitro Cc1cc(NC(=O)NCc2ccco2)ccn1 96489206 KASSQYLXWVNMTG-UHFFFAOYSA-N 231.255 2.305 0 40 BEAB CCCCn1cnc(C)c1C(=O)OCC 96524060 POHSKFZOLXBYDK-UHFFFAOYSA-N 210.277 2.168 0 40 BEAB COC(=O)c1ccc(OC)c(-n2cccc2)c1 144906644 JTVHAWONAJKCPY-UHFFFAOYSA-N 231.251 2.273 0 40 BEAB CCn1cc(C(=O)OCC=C(C)C)cn1 181462329 HNPZOQNITXJNKL-UHFFFAOYSA-N 208.261 2.026 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2CO)O1 242390171 ABUHJJZZXMNMQT-KBDSZGMXSA-N 238.249 2.361 0 40 BEAB CC[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C)c1ccccc1 385168409 VFNBFPIPWRDAIK-UBHSHLNASA-N 247.338 2.162 0 40 BEAB O=C(c1ccc2cnncc2c1)N1CCCCC1 408978229 LSHMECZMUADGGS-UHFFFAOYSA-N 241.294 2.256 0 40 BEAB CC[C@@H](C)n1ncc(Br)c1C=O 685936583 IHPGUBUNQZQNRV-ZCFIWIBFSA-N 231.093 2.429 0 40 BEAB C[C@H]1CCN(C)c2ccc(C(=O)O)cc21 1531862487 XYIRWAHCIFCQPO-QMMMGPOBSA-N 205.257 2.328 0 40 BEAB O[C@]1(C(F)(F)F)CCc2ccc3c(c21)CCO3 1772715249 HSYDVMDPGDHFKP-LLVKDONJSA-N 244.212 2.318 0 40 BEAB COc1ccc2[nH]c(C)c(C(=O)CN(C)C)c2c1 117548 FOHUFBDYHGPCAD-UHFFFAOYSA-N 246.310 2.229 0 40 BEAB O=C(O)[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)O 3850364 RWSYNXBHJLTYDC-TXEJJXNPSA-N 242.230 2.190 0 40 BEAB biogenic COC1=CC(=O)O[C@H]([C@@H]2CC=CCC2)C1 4429983 CPFJREYMKODRII-KOLCDFICSA-N 208.257 2.189 0 40 BEAB CC(=O)O[C@H]1c2ccccc2CC[C@H]1OC(C)=O 4667594 PWDTYDXUIYVSGG-KGLIPLIRSA-N 248.278 2.169 0 40 BEAB S=C(NC1CC1)N1CCc2ccccc21 6332497 CZKRUSVRLIEDPF-UHFFFAOYSA-N 218.325 2.086 0 40 BEAB COc1ccccc1OCC(C)(C)C(=O)O 8730684 LWBBBJGPJLLCFU-UHFFFAOYSA-N 224.256 2.185 0 40 BEAB CNC[C@@H](O)COc1cc(C)ccc1C(C)C 9970642 QHTMNRCPLRGNEZ-GFCCVEGCSA-N 237.343 2.078 0 40 BEAB OC[C@H]1CCCN1Cc1ccccc1Cl 11727388 BFYLBYRGTUNXPO-LLVKDONJSA-N 225.719 2.297 0 40 BEAB in-vitro Cc1ccc(OCc2nc(CN)cs2)cc1 11850521 PAMWKDSOKWLPBO-UHFFFAOYSA-N 234.324 2.489 0 40 BEAB COc1ccc(C2(N)CCC2)cc1OC 11883646 ZHWFCLITMZZRGG-UHFFFAOYSA-N 207.273 2.042 0 40 BEAB CC[C@H](Cc1cc(OC)ccc1OC)C(=O)O 11976929 PBYPSVKDXZCNMX-SECBINFHSA-N 238.283 2.357 0 40 BEAB C[C@H](Oc1ccccc1)C(=O)NCC(F)(F)F 13004211 VEGWBYHSTUWCAM-QMMMGPOBSA-N 247.216 2.132 0 40 BEAB CCOc1cccc(OC2CCNCC2)c1 14631973 WVHUPARZWQVCJL-UHFFFAOYSA-N 221.300 2.216 0 40 BEAB in-vitro CN1CCC(CNCc2cccs2)CC1 16124125 KBIMBEKNTLFQHH-UHFFFAOYSA-N 224.373 2.180 0 40 BEAB in-vitro O=Cc1cc2cc3c(cc2[nH]c1=O)CCCC3 16789839 YCMXEWNMGXLNAG-UHFFFAOYSA-N 227.263 2.219 0 40 BEAB c1ccc(CN2CCN(CC3CC3)CC2)cc1 19366694 YKSRZPBILWBLSW-UHFFFAOYSA-N 230.355 2.214 0 40 BEAB O=C1CCCN1CC[C@H]1CNc2ccccc21 19480265 PPAZUSXZKKRWGI-NSHDSACASA-N 230.311 2.208 0 40 BEAB in-vitro O=C1O[C@H](C2CC2)c2cc3c(cc21)OCCO3 20096390 OJSBNDOPSHXWQM-GFCCVEGCSA-N 232.235 2.079 0 40 BEAB CC(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 21203095 DBKSSMHSJOZPGI-UHFFFAOYSA-N 248.326 2.307 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1cccc2cn[nH]c12 26870907 SBJOFOGALWNRTD-CBAPKCEASA-N 215.256 2.157 0 40 BEAB CCCc1cc(C(=O)N2CCC[C@H](C)C2)[nH]n1 29510528 DKEPYVGACXRFFG-JTQLQIEISA-N 235.331 2.234 0 40 BEAB CCc1ncc(C(=O)O)c(-c2ccccc2)n1 32918578 RVZONKHMIVJARE-UHFFFAOYSA-N 228.251 2.404 0 40 BEAB CCN(CC)C(=O)c1cc(=O)[nH]c2ccccc12 33023623 NVCUBSFCEGERNM-UHFFFAOYSA-N 244.294 2.010 0 40 BEAB COc1c(Cl)cc(Cl)cc1CN 35661839 FFNJRSKFZOUBLN-UHFFFAOYSA-N 206.072 2.461 0 40 BEAB O=C(Nc1cccc2cnccc12)c1cn[nH]c1 37373321 YFRFBLDTDYHCKW-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB COC(=O)[C@@](C)(N)c1ccc(C(F)(F)F)cc1 37514662 YLEREJIVAJYLLU-JTQLQIEISA-N 247.216 2.052 0 40 BEAB Cc1ccc(CNCc2cc[nH]n2)cc1C 41015482 PWXNZYWRCFTEGG-UHFFFAOYSA-N 215.300 2.316 0 40 BEAB COc1ccc(CCCO)cc1Cl 44383000 GXENENMAHSGQFY-UHFFFAOYSA-N 200.665 2.274 0 40 BEAB OC1CCN(Cc2nc3ccccc3s2)CC1 47874155 ADODLVCBBMGFQC-UHFFFAOYSA-N 248.351 2.253 0 40 BEAB NC(=O)[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 49283084 JFKHXPUEBHNNOM-TZMCWYRMSA-N 244.338 2.159 0 40 BEAB COC[C@@H](C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 58283591 RKKDJOJSSLBGMY-GRYCIOLGSA-N 239.359 2.376 0 40 BEAB c1ccc(CN2CCC[C@@H](c3ccn[nH]3)C2)nc1 72187692 OKLKRMMFDLHIAK-GFCCVEGCSA-N 242.326 2.184 0 40 BEAB CC(C)(C)[C@@H](O)CCNC(=O)c1cccs1 72242736 ACHIINIUGVBCJN-JTQLQIEISA-N 241.356 2.275 0 40 BEAB CC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 72369586 VDRUGXIVIJPDKM-GFCCVEGCSA-N 243.310 2.289 0 40 BEAB Cn1c(S)nnc1-c1ccc(F)c(F)c1 77340799 KJRXLEVFUAHUEU-UHFFFAOYSA-N 227.239 2.049 0 40 BEAB CC(C)CNCc1ccn(CC(C)C)n1 80094994 BZINEPQVZVWZJZ-UHFFFAOYSA-N 209.337 2.285 0 40 BEAB COc1cnc(Br)c2[nH]ccc12 89213114 SSEKUWDRHZZSFH-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB CN1CC[C@H](SC2CCCCC2)C1=O 89375046 PRWLYDLXCDSJGF-JTQLQIEISA-N 213.346 2.283 0 40 BEAB NC(=O)c1cccc(CSc2ccncc2)c1 89774464 DKQDZYKJIAGVOT-UHFFFAOYSA-N 244.319 2.473 0 40 BEAB COc1ccc(Oc2cccc(CNN)c2)cc1 90613328 RCTNQDZXEGWXII-UHFFFAOYSA-N 244.294 2.451 0 40 BEAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CC1 95453699 DSCAPUXXJHIVKL-LLVKDONJSA-N 248.330 2.035 0 40 BEAB FC(F)(F)c1conc1Br 95635371 OYOSUPWUVOHYNZ-UHFFFAOYSA-N 215.956 2.456 0 40 BEAB in-vitro CCCCC(=O)NCc1cc(C2CC2)n(C)n1 96099266 CLTWYYDUGIBGCD-UHFFFAOYSA-N 235.331 2.104 0 40 BEAB CC[C@H](C)CN(CC)Cc1cc(=O)c(O)co1 96452046 AGPLSIZLPZCXFV-JTQLQIEISA-N 239.315 2.213 0 40 BEAB CCC(=O)N(Cc1ccccc1)CC(C)(C)O 96493091 QTBUFJCLBWBIHU-UHFFFAOYSA-N 235.327 2.196 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CNCCCn1ccnn1 97098866 DKALXIQHFOUXMQ-KGLIPLIRSA-N 248.374 2.250 0 40 BEAB OCC12CC3C[C@H](C1)C(F)(F)[C@H](C3)C2 100079610 FUGCZPLJOOCMNN-DSAQSWLYSA-N 202.244 2.440 0 40 BEAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1 100525904 RVTANKMKMMBUOZ-VXGBXAGGSA-N 229.279 2.366 0 40 BEAB COC(=O)[C@@H](C)SCCN1CCC[C@@H](C)C1 195570633 DGIBNBGMRYYOJE-GHMZBOCLSA-N 245.388 2.013 0 40 BEAB Cc1cc2cnc(C)n2c([C@@H]2CCCCN2)n1 205694230 ILIJKHPFQDMZOD-LBPRGKRZSA-N 230.315 2.161 0 40 BEAB CC(C)OC(=O)c1cc(N)ccc1N1CCCC1 225485259 RBRUMRIRTUILBZ-UHFFFAOYSA-N 248.326 2.434 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@]12CCCNC2 306778321 OOQKLUARVRMVMW-MFKMUULPSA-N 240.347 2.043 0 40 BEAB O=C(c1ccccc1)N1Cc2cccnc2C1 555536217 ADMQONNKSPZYCL-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB COc1ccc(CCN(C)c2ncccn2)cc1 1166824966 NNUUFSCNQKFEJW-UHFFFAOYSA-N 243.310 2.164 0 40 BEAB CCOC(=O)Nc1cncc(Br)c1 171168 BFWDDTLTJVTQHZ-UHFFFAOYSA-N 245.076 2.413 0 40 BEAB CCOC(=O)[C@H]1C[C@H]1OCc1ccccc1 1681274 FCQGKIBPYZALNB-NWDGAFQWSA-N 220.268 2.155 0 40 BEAB CNCC(=O)Nc1c(Cl)cccc1Cl 1855817 MOLOEKGEOUFCMA-UHFFFAOYSA-N 233.098 2.151 0 40 BEAB in-vitro CN1CCC(O)(c2ccc3[nH]ccc3c2)CC1 2526993 JMNMBGOOOAEWLE-UHFFFAOYSA-N 230.311 2.081 0 40 BEAB COc1ccccc1CC(=O)NC(C)(C)C 2744607 RAIQEEIDHDPJMW-UHFFFAOYSA-N 221.300 2.152 0 40 BEAB CCSc1nc2c(c(=O)n1CC)SCC2 4339332 MAADETFXNIJJNH-UHFFFAOYSA-N 242.369 2.023 0 40 BEAB COc1cccc(Nc2ncc(C=O)cn2)c1 8702922 ZYIFFUVUSMLEPX-UHFFFAOYSA-N 229.239 2.041 0 40 BEAB Cc1ccccc1Oc1ncccc1C(N)=O 8716884 BRQQXCAJZCWSEC-UHFFFAOYSA-N 228.251 2.281 0 40 BEAB CC1=Cc2ccccc2[C@@H]1N[C@@H](C)C(=O)O 8730579 MTKZXMLVZXNZJB-JOYOIKCWSA-N 217.268 2.207 0 40 BEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]2C)c1 9908501 CSXKFQVJPQVANQ-PSASIEDQSA-N 235.283 2.298 0 40 BEAB COC[C@H](C)NC(=O)Nc1cccc(C)c1 12850933 YNYNVDCUXOKBEY-JTQLQIEISA-N 222.288 2.151 0 40 BEAB COCCCNC(=O)c1c(C)[nH]c2ccccc12 16249745 ZZSAZXUBYPCZRL-UHFFFAOYSA-N 246.310 2.243 0 40 BEAB O=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 17057339 YRPCEGFPKMQCHL-BJMVGYQFSA-N 244.275 2.492 0 40 BEAB COCCCN[C@H]1CCc2ccccc21 20142425 ZVIRYVZSWWSCRI-ZDUSSCGKSA-N 205.301 2.300 0 40 BEAB O=C(CO)Nc1ccc(Oc2ccccc2)cc1 21951695 ZATKSUUOVIAFPA-UHFFFAOYSA-N 243.262 2.410 0 40 BEAB CCCNCc1nc2ccc(OC)cc2[nH]1 22122088 RKJJCYNCLRRQSN-UHFFFAOYSA-N 219.288 2.071 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 25713183 YSCCLECAUBVEPF-UWVGGRQHSA-N 248.326 2.335 0 40 BEAB CN(C)c1ncccc1C(=O)NC1CCCCC1 31662936 VUWGPYUVVCFNDA-UHFFFAOYSA-N 247.342 2.210 0 40 BEAB CCCCOc1ccc(-c2nc(N)no2)cc1 32624371 LAQWULFNVMCVEP-UHFFFAOYSA-N 233.271 2.498 0 40 BEAB O=C1NCCCC[C@@H]1Sc1ccc(O)cc1 37995830 RDDKVWATRCGXTO-NSHDSACASA-N 237.324 2.153 0 40 BEAB O=C1[C@H]2CCC[C@@H]1C[C@@H]1CCCC[C@@]12O 38545475 PDLKQXJZJXLNBA-LSCVPOLPSA-N 208.301 2.297 0 40 BEAB CC1CCC(N(C)C(=O)[C@H](C)n2cccn2)CC1 40496979 OXKWASQCJJSRRH-CPCZMJQVSA-N 249.358 2.481 0 40 BEAB COc1ccc([C@@H](O)[C@@H](C)n2cccn2)cc1 44182796 GDISAVSZXXPIDU-MFKMUULPSA-N 232.283 2.186 0 40 BEAB in-vitro CCC(=O)NCCSC1CCCC1 46450200 FEJWNBBPXPMKLT-UHFFFAOYSA-N 201.335 2.188 0 40 BEAB CNC(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 58161673 VRQUGBDTCWXJDW-SECBINFHSA-N 244.298 2.067 0 40 BEAB Nc1cc(Cl)c(CC(=O)O)cc1Cl 59569018 WMKFIATVNPEJFG-UHFFFAOYSA-N 220.055 2.203 0 40 BEAB CCCCC(=O)N1CCC[C@@H](COCC)C1 62108246 BDBOLPPDBXVHSC-GFCCVEGCSA-N 227.348 2.452 0 40 BEAB Cc1ccc(Cc2cc(N)on2)cc1C 62710589 NUXKNXQFQWOSLS-UHFFFAOYSA-N 202.257 2.464 0 40 BEAB COc1ccc([C@@H](O)[C@H]2CCCCCN2)cc1 70193632 MZVOWTORNJFDSP-ZIAGYGMSSA-N 235.327 2.261 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CNCC[C@H]2C)c(C)c1 71412552 WNJIJOSNQSMENH-RISCZKNCSA-N 246.354 2.031 0 40 BEAB COC[C@@H](C)OC(=O)c1sccc1C 71905098 LVHHKBCFYREXHH-MRVPVSSYSA-N 214.286 2.248 0 40 BEAB CCOCCC(=O)N1c2ccccc2OC[C@@H]1C 72532191 BMBKMIPPLJFUPR-NSHDSACASA-N 249.310 2.227 0 40 BEAB COc1cccc(C2(N)CCC2)c1OC 75068793 VHOPAWCFJIBVPU-UHFFFAOYSA-N 207.273 2.042 0 40 BEAB CSCC[C@@](C)(O)CNC(=O)CC(C)(C)C 75157387 WEWWUFZFLLCNIN-GFCCVEGCSA-N 247.404 2.043 0 40 BEAB CCOC(=O)COc1ccc(F)c(F)c1F 75880754 VMAVODFAWDLYOI-UHFFFAOYSA-N 234.173 2.046 0 40 BEAB COc1ccc(Br)c(F)c1C(=O)O 75914862 WVIPJDXUWXKCBU-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB in-vitro CCNC(=O)NC[C@@H](C)Sc1ccccc1 80621562 YXXNELIBSAUIHZ-SNVBAGLBSA-N 238.356 2.486 0 40 BEAB Nc1ccc(-c2nnc([C@@H]3CCCO3)o2)cc1 85386033 YSWGWFFWXVBSEJ-JTQLQIEISA-N 231.255 2.170 0 40 BEAB COc1ccc2c(c1)[C@](O)(C(F)(F)F)CC2 86244749 NSWPLACUKUJTAN-JTQLQIEISA-N 232.201 2.391 0 40 BEAB O=C(Nc1cc(F)cc(F)c1)Nc1cc[nH]n1 89765108 AEXJQHDDQFVJGG-UHFFFAOYSA-N 238.197 2.332 0 40 BEAB Fc1cccc(Cl)c1COC[C@@H]1CO1 95096181 BBGALFCNCLGYRI-SSDOTTSWSA-N 216.639 2.395 0 40 BEAB CCO[C@H]1C[C@@H](NC(=O)c2ccncc2)C1(C)C 96414164 UKWSCCYCUSBBMX-NEPJUHHUSA-N 248.326 2.015 0 40 BEAB COCc1ccc(SCCn2cncn2)cc1 96447841 GSIYSDKXYOVSFC-UHFFFAOYSA-N 249.339 2.217 0 40 BEAB Cc1cc(N2CCCC2)nc(C2CC2)n1 98009578 QXCRZCAKSBZFJF-UHFFFAOYSA-N 203.289 2.263 0 40 BEAB Cc1noc(C)c1COc1c(C)nn(C)c1C 98019214 IDRZKWQJQFLKEA-UHFFFAOYSA-N 235.287 2.221 0 40 BEAB CCOC(=O)Cn1nc(C)c2c1C[C@H]1[C@H]2C1(C)C 100740863 BZXRYLCGBSWIIS-TVQRCGJNSA-N 248.326 2.050 0 40 BEAB biogenic CCOC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 106931642 PJGRLHKICHVEIJ-RYUDHWBXSA-N 220.268 2.362 0 40 BEAB C[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2)C[C@@H]1C 129544581 QNBVJVUNGNGMDR-OBJOEFQTSA-N 246.354 2.191 0 40 BEAB Cc1cc(C)n(C[C@H](O)CCc2ccccc2)n1 146643265 XLKXBZWJWXDQNP-OAHLLOKOSA-N 244.338 2.494 0 40 BEAB NCCc1ccc(Cc2ccccc2)o1 219927843 UZTBGOFNFNYFES-UHFFFAOYSA-N 201.269 2.372 0 40 BEAB Cc1n[nH]c2cc(Br)ncc12 307459956 IDEGMQSTUKVUBK-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB C[C@]1(O)CC[C@@H]1N1C[C@H]2CCCC[C@@H]2C1 1775996215 BQXCUCUPRFJTIO-NDBYEHHHSA-N 209.333 2.022 0 40 BEAB CC(=O)C(C)(C)OC(=O)Nc1nccs1 51496 JQBKJGINNFVZTA-UHFFFAOYSA-N 228.273 2.059 0 40 BEAB COC(=O)CCn1ccc2ccccc21 410169 ILAGLZFPDDPGEI-UHFFFAOYSA-N 203.241 2.204 0 40 BEAB OCc1cccn1CCc1ccc(F)cc1 2527307 HAFLNGXBEWOHCF-UHFFFAOYSA-N 219.259 2.362 0 40 BEAB O=C(O)/C=C/c1c(Cl)nc2ccccn12 2654623 CPOFUPGJZDFDDC-SNAWJCMRSA-N 222.631 2.086 0 40 BEAB CN(C)C(=N)COc1ccc(Cl)cc1 3163867 YGBYEJLZXKYUIU-UHFFFAOYSA-N 212.680 2.258 0 40 BEAB CC(C)OC(=O)[C@@H]1C=CCc2c(O)ccc(O)c21 4934186 PLAYSQWDAJXWHV-SNVBAGLBSA-N 248.278 2.245 0 40 BEAB O=C(O)c1ccc2nnc(-c3ccccc3)n2c1 14987820 PSZVQTSHDZGTBX-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB NNc1ncc(C(F)(F)F)cc1C(F)(F)F 15906901 YMXQTDKQYMHWPF-UHFFFAOYSA-N 245.126 2.405 0 40 BEAB CC(=O)Nc1ccc(S[C@H](C)C(=O)O)cc1 19257916 OLWFGPQNJWSRSA-SSDOTTSWSA-N 239.296 2.210 0 40 BEAB CC(C)CCOc1ncccc1C(=O)O 19280732 HNJJSPNOHKOWEB-UHFFFAOYSA-N 209.245 2.205 0 40 BEAB in-vitro Cc1ccc(N2CCCCC2=O)cc1N 19485469 ANEIEEZQQSMVMZ-UHFFFAOYSA-N 204.273 2.094 0 40 BEAB COc1ccc(C)cc1NCc1cc[nH]n1 20350784 PIOMVGREJXMXFW-UHFFFAOYSA-N 217.272 2.339 0 40 BEAB OCc1cc2ccccc2nc1N1CCCC1 20467926 BEUDWSOJEAWRAH-UHFFFAOYSA-N 228.295 2.327 0 40 BEAB C/C=C(/SC(=N)c1cccnc1)C(=O)O 21982651 FAHPVPSNQSNWTE-WDKBVKRQSA-N 222.269 2.129 0 40 BEAB Cc1cccc(N2C(=O)c3ccncc3C2=O)c1 22073217 NNNDIJULLGKCPF-UHFFFAOYSA-N 238.246 2.191 0 40 BEAB C/C=C/[C@H]1NCCc2cc(OC)c(OC)cc21 22113451 UOCYGISMICKYAI-ZYOFXKKJSA-N 233.311 2.467 0 40 BEAB CCC[C@@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 22122655 WEUHQCHOHUHRTR-AXFHLTTASA-N 213.321 2.218 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1CN(C)C 24809710 JWAIKRXJJRYWQJ-JQWIXIFHSA-N 232.327 2.343 0 40 BEAB COc1ncccc1CNC(=O)C[C@H]1C=CCC1 30306352 FWVKAKSBJJXPNV-NSHDSACASA-N 246.310 2.063 0 40 BEAB CC[C@@H](CO)Nc1nc2ccccc2s1 35111877 BGWKSVRBXJMGOF-QMMMGPOBSA-N 222.313 2.479 0 40 BEAB O=Cc1c(Cl)cc(CO)cc1Cl 38416841 PLSBLWXOKQLJFA-UHFFFAOYSA-N 205.040 2.298 0 40 BEAB in-vitro CNC(=O)c1nc(-c2ccco2)sc1C 40493760 PRFAHDCFFVMEPZ-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB CC/C=C(\C)C(=O)NCc1cn2ccccc2n1 42720921 DNTHUIYXGWNXJF-IZZDOVSWSA-N 243.310 2.307 0 40 BEAB Cc1ccc(O[C@H]2CCNC2)c(Cl)c1 42775129 IRBMMZALAHZPEL-VIFPVBQESA-N 211.692 2.389 0 40 BEAB C[C@@H]1CCCN(CC[C@@H]2CCCNC2)C1 42783357 HWKYDYXTLASTBO-OLZOCXBDSA-N 210.365 2.108 0 40 BEAB CNCCC(=O)N1CCC[C@@H]1c1ccccc1C 43605241 WUERIDNXEZRFCC-CQSZACIVSA-N 246.354 2.268 0 40 BEAB COc1ccc(F)cc1[C@@H](O)C(F)(F)F 44353404 LKCCHQVMESHNSM-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB CC(C)(C)NC(=S)Nc1cccnc1 47583537 NAMHJZDHCHSGAX-UHFFFAOYSA-N 209.318 2.167 0 40 BEAB O=C(Nc1ccccc1-n1ccnc1)C1CC1 48698135 SOENAZOEYGSJFP-UHFFFAOYSA-N 227.267 2.221 0 40 BEAB O=C(NCCCn1cccc1)c1ccsc1 49028582 CFCJDOIPYTVMPG-UHFFFAOYSA-N 234.324 2.370 0 40 BEAB Cc1c(NC(=O)[C@H]2C[C@H]2C)cccc1C(=O)O 57351901 TYGGYUZQLBNKGD-XCBNKYQSSA-N 233.267 2.288 0 40 BEAB Cc1ccc2nc(N3CC(C(=O)O)C3)sc2c1 61957911 NYQYJCHZDRIXHA-UHFFFAOYSA-N 248.307 2.126 0 40 BEAB Nc1ncccc1C(=O)NCCC1=CCCCC1 67292119 DLKIGMPUHKGUEB-UHFFFAOYSA-N 245.326 2.284 0 40 BEAB c1ccc2c(c1)OCC[C@@]21CCCNC1 70063843 NUPRVCIVQLXKKK-CYBMUJFWSA-N 203.285 2.090 0 40 BEAB c1ccc(N2CC(c3ccncn3)C2)cc1 72187513 VHVRIMRPQFPKHI-UHFFFAOYSA-N 211.268 2.080 0 40 BEAB CC(C)c1ccccc1NC(=O)N(C)CCO 78800588 ANGGOQBFRPUWIA-UHFFFAOYSA-N 236.315 2.266 0 40 BEAB OCCCN(Cc1cccnc1)c1ccccc1 84549142 TYHHHPMNNHPSKX-UHFFFAOYSA-N 242.322 2.471 0 40 BEAB CCOC(=O)C(=O)Sc1cc(F)cc(F)c1 95731124 OFLIKOYEKCRYPY-UHFFFAOYSA-N 246.234 2.147 0 40 BEAB Fc1cc(F)cc(OCCC2OCCO2)c1 95733826 FUKLJWYBAVRUFU-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)O)cc1 95970760 LPTMWLGCTBLPHL-SKDRFNHKSA-N 247.294 2.298 0 40 BEAB O=C(CO)Nc1ccccc1Nc1ccccc1 95992149 YTQKBRYTIVNUTH-UHFFFAOYSA-N 242.278 2.361 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1Nc1ccccn1 98013796 DOBSILVWMKGTTF-JQWIXIFHSA-N 206.289 2.045 0 40 BEAB Cc1cc(Cn2ccc(C3CC3)n2)no1 98020671 GSSFXIXODMXJGZ-UHFFFAOYSA-N 203.245 2.105 0 40 BEAB CN1[C@H]2CCC[C@@H]1C[C@H](OC(=O)c1ccco1)C2 100745142 GGHICGWVZFRCPF-GDNZZTSVSA-N 249.310 2.452 0 40 BEAB Cc1c(Cl)cccc1-n1cc([C@@H](C)O)nn1 163366076 VXGQVAOXHFWACE-MRVPVSSYSA-N 237.690 2.282 0 40 BEAB O=C1COc2cc(C(F)(F)F)cc(F)c21 169797296 GUOISFFLSZIIJU-UHFFFAOYSA-N 220.121 2.420 0 40 BEAB Cc1ncc(C(=O)Nc2ccc(F)cc2F)cn1 222588914 NGWDVIWETOVEFG-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB c1ccc2c3c([nH]c2c1)CNCCS3 1535642683 XSUOERYDINGTND-UHFFFAOYSA-N 204.298 2.363 0 40 BEAB Nc1cc(-c2cncc(Br)c2)no1 1536020277 FSTATCXALCGUFU-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB Cc1ccccc1OCC(=O)Nc1cccnc1 191601 MUOTYWWZYLNCGX-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB c1csc(-c2cn3cccnc3n2)c1 1454651 JZCAAAHWCAATEC-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB in-vitro C1CC[C@@H](OCCO[C@@H]2CCCCO2)OC1 1632772 YUAPGYIENVWPIK-VXGBXAGGSA-N 230.304 2.073 0 40 BEAB CCCCCc1ccc(C(=O)O)c(=O)o1 2099919 NYCDSJNKGZMFSX-UHFFFAOYSA-N 210.229 2.071 0 40 BEAB biogenic,in-vitro O=C(NCc1ccccc1Cl)c1cnccn1 2753910 XJTBRRODSMDDRP-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB O=C(CSC1CCCC1)N1CCCC1 3287082 SRCUEVADXHRLTI-UHFFFAOYSA-N 213.346 2.285 0 40 BEAB C[C@H]1C(=O)CCN(Cc2ccco2)[C@@H]1C 4127236 JTDIADXWGUFCRY-NXEZZACHSA-N 207.273 2.079 0 40 BEAB CCC(=O)[C@@H](C)C(=O)Nc1ccccc1 5498018 CNOVGQUKNBMXKK-SECBINFHSA-N 205.257 2.240 0 40 BEAB C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)O 6437022 LDFOTDZVZJTBRL-ZETCQYMHSA-N 210.204 2.119 0 40 BEAB in-vitro CC[C@H](CO)NC(=S)Nc1cccc(C)c1 7526410 OEYQNLAIZPQLSK-SNVBAGLBSA-N 238.356 2.052 0 40 BEAB CCCNCc1cc(OC)cc(OC)c1 19840849 IWTDUOVPDFRHBT-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1N 20155584 MAPZEORCYZOGJK-VIFPVBQESA-N 236.315 2.196 0 40 BEAB O=C(NCc1cccc(Cl)c1)C1CC1 21310651 ZMHJKGPETGNZDX-UHFFFAOYSA-N 209.676 2.366 0 40 BEAB C[C@H]1CNC[C@H](C)N1CCc1ccc(F)cc1 22911499 YHEJSJMRHMGUTB-RYUDHWBXSA-N 236.334 2.050 0 40 BEAB COc1ccccc1-c1noc(N)c1C 26512451 CXFXBZPWWNTWOJ-UHFFFAOYSA-N 204.229 2.241 0 40 BEAB CCCNc1nn2cnnc2c2ccccc12 27913260 ADWNZRAEVCLQBV-UHFFFAOYSA-N 227.271 2.099 0 40 BEAB CCOCCCNC(=O)c1cc(F)ccc1F 28210773 KMVQGBKHPAIGIW-UHFFFAOYSA-N 243.253 2.121 0 40 BEAB Cc1cccc(CNC(=O)[C@H]2C[C@H]2C)c1 32760756 JXKCBEJQWITBPW-PWSUYJOCSA-N 203.285 2.267 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@@H]2C(C)=O)c1 34972950 DNDDIBPBVGGZAD-CHWSQXEVSA-N 220.268 2.396 0 40 BEAB O=C(CN1CCc2ccccc2C1)c1ccc[nH]1 34981422 KDWIBFVUGPAAFQ-UHFFFAOYSA-N 240.306 2.256 0 40 BEAB Cc1c(N)cccc1CN1CCSCC1 35649096 PVNZJSSCDHVCQR-UHFFFAOYSA-N 222.357 2.126 0 40 BEAB in-vitro O=C(NCCCc1ccccc1)NC1CC1 36178947 UDODEGXSCHPQER-UHFFFAOYSA-N 218.300 2.081 0 40 BEAB O[C@H](c1cccnc1)c1ccccc1F 41211486 NEXWRNHLCALCJW-GFCCVEGCSA-N 203.216 2.302 0 40 BEAB COc1cccc(N/N=C2/CN3CCC2CC3)c1 47951163 OQJQXJQUTPGKLU-PEZBUJJGSA-N 245.326 2.189 0 40 BEAB CNC(=O)Nc1ccccc1N1CCCC1 48475123 NKYAVDWYKPEBOA-UHFFFAOYSA-N 219.288 2.038 0 40 BEAB CC[C@@H](C)c1noc([C@H]2CCCCN2)n1 57340794 VRWPVXKKPDTGPK-RKDXNWHRSA-N 209.293 2.398 0 40 BEAB CC(C)(C)N1C[C@@H](CO)O[C@@H]1c1ccccc1 57599266 JERBWURCWWHQBK-QWHCGFSZSA-N 235.327 2.177 0 40 BEAB COc1cc2c(cc1Br)CNCC2 71494752 WHHDAOAVGDCKCV-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@@H](C)N 72223479 AXHZTJHZLOUICX-SNVBAGLBSA-N 205.305 2.010 0 40 BEAB Cc1cnn(-c2cccc(Cl)c2)c1N 77301083 FLGXAUMTPSVVNT-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB COC[C@H](C)NC(=O)C[C@H](C)C(C)(C)C 84636738 OQPPEHNTKPKYFM-UWVGGRQHSA-N 215.337 2.210 0 40 BEAB O=C(c1ccon1)N1CCC[C@@H]2CCC[C@H]21 89885165 CTGCHRKFARXKHM-GXSJLCMTSA-N 220.272 2.079 0 40 BEAB CCN(C(C)=O)c1ccc(Br)cn1 89969468 DGKHMKNVCCYOMA-UHFFFAOYSA-N 243.104 2.217 0 40 BEAB CC(C)Oc1c(F)ccc(C(=O)O)c1F 90411332 NHOAPOQTLPZFMW-UHFFFAOYSA-N 216.183 2.450 0 40 BEAB CCCCN(CCNC)Cc1ccco1 96523941 MFBBRMPPBJXJQU-UHFFFAOYSA-N 210.321 2.101 0 40 BEAB CC(=O)Nc1cc(CCc2ccccc2C)n[nH]1 97108312 YKHLHEDAUQMHDB-UHFFFAOYSA-N 243.310 2.462 0 40 BEAB CCOC(CN1CC[C@H](C)[C@@H]1C)OCC 97161656 PWSCTTMEOITLFC-QWRGUYRKSA-N 215.337 2.116 0 40 BEAB COc1ccc(C(=O)CC(=O)C(F)F)cc1 100042242 IHLFDMHYDXVXHM-UHFFFAOYSA-N 228.194 2.102 0 40 BEAB C[C@H]1C[C@H]1C(=O)N[C@H](C)CC(=O)c1ccccc1 110680312 MYYFCSUERNVDTI-DMDPSCGWSA-N 245.322 2.420 0 40 BEAB COc1cc2c(cc1OC)CN(CC1CC1)CC2 155480206 RJNPKXCIPRCFLV-UHFFFAOYSA-N 247.338 2.472 0 40 BEAB Cc1cnc([C@H]2CCN(Cc3cccnc3)C2)[nH]1 205688655 FJJJJDCTLXNOIO-ZDUSSCGKSA-N 242.326 2.103 0 40 BEAB COc1ccc(CCC(=O)O)c2c1NCCC2 217607961 SOHMLMKKMXIBDD-UHFFFAOYSA-N 235.283 2.071 0 40 BEAB Nc1cc(-c2ccc(-n3ccnc3)cc2)no1 258394375 JZUPCUVDQXPTIV-UHFFFAOYSA-N 226.239 2.110 0 40 BEAB C[C@@H]1[C@@H](O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 575447694 GRGUTZRHELOISE-NRUUGDAUSA-N 241.331 2.014 0 40 BEAB COc1cc(C(F)(F)F)nc(SC)n1 1390161 ZGHVHUYAPUOSMA-UHFFFAOYSA-N 224.207 2.226 0 40 BEAB COc1cccc(Oc2cc(C)nc(N)n2)c1 1512829 QSZZWWOCPAPNCJ-UHFFFAOYSA-N 231.255 2.168 0 40 BEAB Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 1725922 GUAGHTDLIMFQDF-UHFFFAOYSA-N 220.659 2.481 0 40 BEAB in-vitro NC(=O)NOCc1c(Cl)cccc1Cl 2508422 XWNNHEXUENWLNK-UHFFFAOYSA-N 235.070 2.093 0 40 BEAB Nc1c(Cl)ncnc1NC1CCCCC1 4243243 AUOMJRAPTGJJQB-UHFFFAOYSA-N 226.711 2.457 0 40 BEAB Cc1noc(C)c1Cn1nnc2ccccc21 5109937 GSUCIRABYRFTSB-UHFFFAOYSA-N 228.255 2.084 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 5555643 IUNLWISKZNCPQG-APPZFPTMSA-N 219.240 2.010 0 40 BEAB Cc1ccc(CSc2nncn2C)cc1 6211942 NDOLTFDRNDOOCJ-UHFFFAOYSA-N 219.313 2.416 0 40 BEAB COC(=O)c1c(N)c2cc(Cl)ccc2n1C 8417089 QUZDFZBDUOGSPW-UHFFFAOYSA-N 238.674 2.201 0 40 BEAB COc1ccc(Nc2ncc(C=O)cn2)cc1 8702937 XTFOGRLQTPJTST-UHFFFAOYSA-N 229.239 2.041 0 40 BEAB CCc1nc2cc(S(=O)(=O)CC)ccc2o1 8781885 BYEIKHNNWWDXKI-UHFFFAOYSA-N 239.296 2.184 0 40 BEAB O=C1COc2ccc(Cl)c3c2N1CCC3 12428609 CCNOKRSKRDRWEA-UHFFFAOYSA-N 223.659 2.012 0 40 BEAB c1cnc2c(O[C@@H]3CCCNC3)cccc2c1 14631805 PVTJSCGZTCOODV-GFCCVEGCSA-N 228.295 2.366 0 40 BEAB CCOc1ccc([C@@H](C)NCCOC)cc1 19881551 PIEIRCXDEORZFC-LLVKDONJSA-N 223.316 2.382 0 40 BEAB Nc1nc2cc3c(cc2s1)OC(F)(F)O3 20432677 HJFWUSQQWRARDW-UHFFFAOYSA-N 230.195 2.200 0 40 BEAB in-vitro COCc1nc(Cl)n(-c2ccc(F)cc2)n1 22125376 DDFSLMNTRKWSFE-UHFFFAOYSA-N 241.653 2.206 0 40 BEAB CCCCC(=O)NCCc1nc(C)cs1 31848986 FLMLNDSYRXYJRM-UHFFFAOYSA-N 226.345 2.300 0 40 BEAB CC[C@@](O)(CN)c1ccc(Br)cc1 32101492 GNIAPFFSZYMARL-SNVBAGLBSA-N 244.132 2.005 0 40 BEAB in-vitro C[C@@H]1Cc2ccccc2N1C(=O)N(C)C 36644293 FZCJAUHUIMNICA-SECBINFHSA-N 204.273 2.119 0 40 BEAB c1cc2c(cc1CNCC1CCC1)OCO2 37179320 YCHWJPZTNBFAMW-UHFFFAOYSA-N 219.284 2.305 0 40 BEAB CCc1noc(CSc2nccn2CC)n1 40049453 ZDJWVLLUOLZZJZ-UHFFFAOYSA-N 238.316 2.141 0 40 BEAB CC(C)CC(=O)OCC[C@H]1CCCCN1 42769136 AMFHBTDICUKGTJ-LLVKDONJSA-N 213.321 2.108 0 40 BEAB CCc1cccc(OC[C@H]2CCNC2)c1 42772890 QAKPUEMOQFUCPZ-LBPRGKRZSA-N 205.301 2.237 0 40 BEAB COc1cc(C[C@H]2CCCNC2)cc(OC)c1 42784237 SZUZYVZKOXQCCR-LLVKDONJSA-N 235.327 2.246 0 40 BEAB O[C@@H]1C(Br)=C[C@@H]2CC[C@H]1C2 43761783 DPZZTZLILXNWSC-CHKWXVPMSA-N 203.079 2.056 0 40 BEAB CC(C)c1ccc(N(C)CC(=O)O)cc1 49813908 WAQAEFDQCZMSQR-UHFFFAOYSA-N 207.273 2.331 0 40 BEAB C[C@@H]1C[C@H]1NC1CCN(c2ccccn2)CC1 52273503 HIEZULJZBHYDOO-DGCLKSJQSA-N 231.343 2.048 0 40 BEAB c1ccc(C[C@@H]2COC3(CCNCC3)C2)cc1 63110793 FWMGBFZKJKFKCR-AWEZNQCLSA-N 231.339 2.388 0 40 BEAB O=C(O)c1ccc(-c2ccc(O)cc2)nc1 65347120 OSDLQWLUHYXQKU-UHFFFAOYSA-N 215.208 2.152 0 40 BEAB Cc1ccc(C(=O)NCCCCC(=O)O)cc1C 70198090 CMPWRIYZVQVIED-UHFFFAOYSA-N 249.310 2.288 0 40 BEAB Cn1nc(C=O)c2cc(Br)ccc21 72220002 XJZXIHIEUIQGRD-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB C=Cc1ccc(N2CCN(CC)CC2)nc1C 72224684 FKPDGGZOBOJPAF-UHFFFAOYSA-N 231.343 2.175 0 40 BEAB O=C(O[C@H]1CCOC1)c1coc2ccccc12 73532519 SGWDWNLEQWBNCE-VIFPVBQESA-N 232.235 2.379 0 40 BEAB O=C(O[C@H]1CCSC1)c1ccncc1Cl 75028727 WCRFWLGFKOJDFK-ZETCQYMHSA-N 243.715 2.397 0 40 BEAB Cc1cc(C)cc(N(C)[C@H](C)C(=O)O)c1 82259495 ZRWMEIZENPBGJQ-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB C[C@@H](N)COCc1ccc(Br)cc1 82551205 XVJOTGRMLPRKQA-MRVPVSSYSA-N 244.132 2.313 0 40 BEAB COCSc1nnc(C2CC2)s1 88501070 SPOPFTIVHLRYFT-UHFFFAOYSA-N 202.304 2.112 0 40 BEAB Cc1nc(C)n(Cc2ccc3c(c2)CCC3)n1 89718025 WCTXDEDTGPTKKB-UHFFFAOYSA-N 227.311 2.432 0 40 BEAB O=C(O)CN1CCC[C@H]1CCc1ccccc1 89830471 RDXOCCLKEJWZMX-ZDUSSCGKSA-N 233.311 2.168 0 40 BEAB C[C@H](NC[C@@H](C)[S@](C)=O)c1cccc(F)c1 90843527 ZUVSKCDNNYUXKJ-KCWFYHRYSA-N 243.347 2.243 0 40 BEAB Cc1nc(Cl)c2c(ncn2C2CC2)n1 96529525 MTNRZEIBHWIRDL-UHFFFAOYSA-N 208.652 2.123 0 40 BEAB O=Cc1c(F)ccc(C2OCCO2)c1Cl 98095406 LYMDICROKQTMLL-UHFFFAOYSA-N 230.622 2.337 0 40 BEAB in-vitro COc1cccc([C@@H]2C[C@H]2[C@H](C)N)c1OC 108019151 NRMIRCUHNDPXEF-LSJOCFKGSA-N 221.300 2.155 0 40 BEAB O=C(Nc1cccc(F)c1F)[C@@H]1CCCO1 134519687 IFRNHBFFLMBYIC-VIFPVBQESA-N 227.210 2.082 0 40 BEAB CC1(C)C[C@]2(C(=O)O)CC[C@@]1(C)[C@@H](O)C2 216577217 LEQOOBIITMGKPW-UWJYBYFXSA-N 212.289 2.038 0 40 BEAB COC[C@@]1(c2ccccc2)CC[C@H](N)C1 217812627 XSPOKWJVSZYKEQ-QWHCGFSZSA-N 205.301 2.082 0 40 BEAB CCOc1ccc(C(N)=O)cc1COC(C)C 224712479 SFFKKSLHBHCRRW-UHFFFAOYSA-N 237.299 2.109 0 40 BEAB CC[C@@H](C)NC(=S)Nc1ncccc1OC 225274345 HLDHVHFQKFXJSG-MRVPVSSYSA-N 239.344 2.175 0 40 BEAB CCn1cc(C=O)c2cccc(C(=O)OC)c21 228946679 RQDGOSHWEJDWJG-UHFFFAOYSA-N 231.251 2.260 0 40 BEAB COc1ccc(NN=C2CCCC2=O)cc1 309499439 GGTOHLNETSXOPG-UHFFFAOYSA-N 218.256 2.216 0 40 BEAB COC(=O)[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 409431645 RRJBIWLHSMLLKD-HIFRSBDPSA-N 245.322 2.072 0 40 BEAB COc1cccc(-c2nnc3n2C[C@H](C)S3)c1 105186 YVYDUGDAGWPUGC-QMMMGPOBSA-N 247.323 2.448 0 40 BEAB C[C@H]1CN=C(Nc2cccc(O)c2)S1 333213 WAICHRCMCQSSEP-ZETCQYMHSA-N 208.286 2.295 0 40 BEAB c1cncc(CNc2ccc3c(c2)OCCO3)c1 516860 RTIAQNPAVACRHE-UHFFFAOYSA-N 242.278 2.465 0 40 BEAB C[C@H]1CCCC[C@@]12NC(=S)N(C(C)(C)C)N2 550093 QZZOYHXPHZOAIV-CABZTGNLSA-N 241.404 2.386 0 40 BEAB CCC(CC)[C@H](O)[C@H]1CCCC[C@@H]1O 1319305 PKYNNTVDTHYWOQ-SRVKXCTJSA-N 200.322 2.335 0 40 BEAB CC(=O)OCc1ccc(C)c(COC(C)=O)c1 1600798 KEOAZMHPOAPILU-UHFFFAOYSA-N 236.267 2.121 0 40 BEAB C[C@@H]1C[C@H](OC(=O)CCN2CC2)CC(C)(C)C1 1614823 FIZYQWPPYSBTPE-NEPJUHHUSA-N 239.359 2.450 0 40 BEAB CCC(=O)O[C@H]1CCCC[C@@H]1OC(=O)CC 1684782 AKXRYWQJYQZENW-UWVGGRQHSA-N 228.288 2.204 0 40 BEAB CCOc1ccc(OCCCC(=O)O)cc1 3276916 ZXZNQXICNJXQOQ-UHFFFAOYSA-N 224.256 2.329 0 40 BEAB in-vitro CC(C)OC(=O)[C@@H]1CCN[C@@H]1c1ccccc1 4993873 RWQUVOWLQIPGFC-CHWSQXEVSA-N 233.311 2.289 0 40 BEAB C[C@H](OC(=O)[C@@H]1C[C@H]1C)C(=O)Nc1ccccc1 5699792 MTMNVCRGENNVIW-JFGNBEQYSA-N 247.294 2.213 0 40 BEAB CCn1nccc1C(=O)N[C@@H](C)c1ccccc1 28230781 KYYPMAIXEXNNLB-NSHDSACASA-N 243.310 2.394 0 40 BEAB CCOC(=O)[C@H](N)Cc1cccc2ccccc12 33615156 GPRJPDYNXGVBNC-CQSZACIVSA-N 243.306 2.273 0 40 BEAB C[C@]1(CC(=O)O)C=Cc2ccccc2O1 34478143 VVRCAEMWFDOQJA-GFCCVEGCSA-N 204.225 2.326 0 40 BEAB C[C@H](N)[C@H](OC1CCOCC1)c1ccccc1 42904325 HIUSWVFHVDKMEN-FZMZJTMJSA-N 235.327 2.271 0 40 BEAB in-vitro COc1cc(Cl)ccc1C(=O)CCC(=O)O 43214164 WQZKXFVXISXWGB-UHFFFAOYSA-N 242.658 2.396 0 40 BEAB O=C(O)c1c[nH]c2cncc(Br)c12 44713235 WAMHBVSIFGETND-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB in-vitro CCCCCCN[C@@H](C)CC(=O)OC 47219170 FPVYOYUZEHRLDK-JTQLQIEISA-N 201.310 2.108 0 40 BEAB C[C@H](O)[C@@H]1CNc2cc(Br)ccc21 57219131 BERTXOJABVEMKO-RCOVLWMOSA-N 242.116 2.339 0 40 BEAB CCCN(CCC)CC[C@H](N)C(C)C 58058301 FENIVXFVCBWLBC-LBPRGKRZSA-N 200.370 2.482 0 40 BEAB Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)no1 58307066 YPOSZVKSJYSVFG-SECBINFHSA-N 224.304 2.490 0 40 BEAB CC(C)O[C@H](CN)c1c(F)cccc1F 62711814 DJHWTFSINYGMKK-SNVBAGLBSA-N 215.243 2.390 0 40 BEAB O=C(Nc1ncccc1O)c1cc(Cl)c[nH]1 65517594 YUWMLEHIBZCAAO-UHFFFAOYSA-N 237.646 2.021 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1F 69314034 FLHZEKIJOBHISU-SECBINFHSA-N 223.247 2.109 0 40 BEAB CCNC[C@H]1CCCCN1C(=O)OC(C)(C)C 72194523 DNPZZKUZHMYHOZ-LLVKDONJSA-N 242.363 2.386 0 40 BEAB COC[C@H](OC)c1ccc(C(C)=O)cc1 72219876 DKRTZLOHBZWRJM-LBPRGKRZSA-N 208.257 2.223 0 40 BEAB CCn1nc(C)c2nc(C(C)C)nc(NC)c21 72238356 VYVVVMPSFOVZPG-UHFFFAOYSA-N 233.319 2.320 0 40 BEAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC1 73521581 WPHDUOMDQIAIKA-UHFFFAOYSA-N 218.231 2.153 0 40 BEAB Cc1ccc(C(=N)N)cc1Br 75842730 AESSQVPLSCJPIN-UHFFFAOYSA-N 213.078 2.042 0 40 BEAB C[C@H]1COc2ccccc2N1Cc1ccno1 78950527 QQDUYUJFASIVLF-JTQLQIEISA-N 230.267 2.462 0 40 BEAB Brc1nccc2ccncc12 82046519 XBFXXISYRBBBJF-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB Cn1ncc2ccc([C@H]3CCCCN3)cc21 82969372 JKFNAXSZWIUAKO-GFCCVEGCSA-N 215.300 2.388 0 40 BEAB C[C@@H](N)COCc1ccccc1Br 89262682 XIEXXUIVIYMMGM-MRVPVSSYSA-N 244.132 2.313 0 40 BEAB OCC1(Nc2ncnc3ccsc23)CCC1 89885398 KORDFYLRYIYSCG-UHFFFAOYSA-N 235.312 2.018 0 40 BEAB Oc1cnn(-c2ccc(Cl)c(F)c2)c1 96510728 KNAVCUUIMGRGBW-UHFFFAOYSA-N 212.611 2.370 0 40 BEAB OC[C@H](NCCc1ccccc1)c1ccco1 97374520 YSTLNGSUMKAHLC-ZDUSSCGKSA-N 231.295 2.145 0 40 BEAB CC(C)CNc1cnn(CC(F)F)c1 122479917 UVFJYSQBKKOHEN-UHFFFAOYSA-N 203.236 2.216 0 40 BEAB Fc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1 218844561 SILOSBBKHXSDGL-QWHCGFSZSA-N 220.291 2.156 0 40 BEAB Cc1cc(C)c(N)c(NCCCC(=O)O)c1 223776364 KBXGYXSGPLHKQU-UHFFFAOYSA-N 222.288 2.162 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1cncc(Cl)c1 252483217 DXKABCCNKZTURV-KWQFWETISA-N 226.707 2.175 0 40 BEAB Cc1nnccc1C(=O)Nc1cc(Cl)ccn1 533577367 QNXYZAVUFDYDPF-UHFFFAOYSA-N 248.673 2.086 0 40 BEAB CC1=CC(C)(C)N2C(=O)[C@H](O)c3cccc1c32 1857657200 AUYZCUXSHPSCRL-GFCCVEGCSA-N 229.279 2.262 0 40 BEAB CN1C(c2cccnc2)=NCC12CCCC2 1611077 OPVYZDHEXVHXAB-UHFFFAOYSA-N 215.300 2.086 0 40 BEAB COc1ccc([C@@]23CCC(=O)N2CCS3)cc1 1644176 XXNJQBWEJWUSNM-ZDUSSCGKSA-N 249.335 2.217 0 40 BEAB Cc1ccc(NC(=O)c2ccccc2)c(=O)o1 1652856 HFYINARTXACANJ-UHFFFAOYSA-N 229.235 2.201 0 40 BEAB CC(=O)OCc1ccc(O)c2ncccc12 1717602 USZNMYUVICAVDO-UHFFFAOYSA-N 217.224 2.004 0 40 BEAB FC(F)(F)c1cccc(-n2nnnc2Cl)c1 4105433 CEIULIRBKKDLLT-UHFFFAOYSA-N 248.595 2.335 0 40 BEAB Cc1cc(COC(=O)c2cccc(O)c2)no1 7746802 NKNPOQZCYLCPBE-UHFFFAOYSA-N 233.223 2.046 0 40 BEAB CCN(Cc1nc(C2CC2)no1)CC(C)C 46064751 VSCFOTDJRWABRK-UHFFFAOYSA-N 223.320 2.425 0 40 BEAB Oc1nc(-c2ccccn2)nc2ccccc12 8579987 QLWDRAMFFJADEJ-UHFFFAOYSA-N 223.235 2.397 0 40 BEAB CC(=O)N[C@H]1CCC[C@H]1Oc1ccccc1 71902931 FAINOKJHGNPYSO-QWHCGFSZSA-N 219.284 2.123 0 40 BEAB Nc1cc(-c2ccc(Br)o2)no1 11851100 MTDQAANDQCLXHZ-UHFFFAOYSA-N 229.033 2.279 0 40 BEAB in-vitro Cc1cc(C)c2c(c1)C(=O)CC1(CCNCC1)O2 11849199 QFEJDBMNINICCV-UHFFFAOYSA-N 245.322 2.391 0 40 BEAB CC(C)COC(=O)N1CC(=O)Nc2ccccc21 15671546 MPOLHVCSINJJDM-UHFFFAOYSA-N 248.282 2.238 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCc2ccccc2C1 32975421 UPIKJVYTQDOKCW-GWCFXTLKSA-N 215.296 2.227 0 40 BEAB O=C(NCc1ccncc1)[C@@H]1CC=CCC1 32998112 FQWXACGOQBEYKS-GFCCVEGCSA-N 216.284 2.054 0 40 BEAB C[C@@H](CNC(=O)C1CC1)N(C)c1ccccc1 46950959 JDWXLABXSUTCGU-NSHDSACASA-N 232.327 2.038 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@H](C)N)cc1OC 108019107 HYRHCZXUDHOWNL-LSJOCFKGSA-N 221.300 2.155 0 40 BEAB COc1cccc(/C=C/CC(=O)O)c1OC 62710428 GCYOJJMTMPZVLH-GQCTYLIASA-N 222.240 2.192 0 40 BEAB O=C(O)[C@H]1Cc2ccc(Cl)cc2S1 20285449 CDZHZOSUCIBINM-MRVPVSSYSA-N 214.673 2.441 0 40 BEAB Cc1[nH]c(-c2cccc(F)c2)nc1C(=O)O 20445628 KXNDWARHJYIGKB-UHFFFAOYSA-N 220.203 2.222 0 40 BEAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](C)CO1 58324170 ONGFIMHMTAZHPB-TYDXBBDOSA-N 245.322 2.336 0 40 BEAB CCc1nnsc1C(=O)Nc1ccccc1O 12733825 ZNWMKBIKCRPVMY-UHFFFAOYSA-N 249.295 2.058 0 40 BEAB CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 12869789 FWRWIVFNGAFEPI-UHFFFAOYSA-N 206.220 2.009 0 40 BEAB c1ccc(CN2CCC[C@]3(CCNC3)C2)cc1 64034162 OFLZQYXCNCHXGP-OAHLLOKOSA-N 230.355 2.262 0 40 BEAB in-vitro Cc1csc(NC(=O)c2ccc(N)cc2)n1 5740683 IHBUFHLBJVDDOY-UHFFFAOYSA-N 233.296 2.286 0 40 BEAB CCOc1ccc2c(c1)c(C=O)c(C(=O)O)n2C 6870554 PHMJDOBYSQFKSY-UHFFFAOYSA-N 247.250 2.088 0 40 BEAB Cc1ccoc1C(=O)Nc1nccs1 16959537 GRUIUJNJYFYWHU-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB CN(Cc1c[nH]cn1)[C@@H]1CCc2ccccc2C1 93438703 LQDIAZJLWSFCDX-OAHLLOKOSA-N 241.338 2.399 0 40 BEAB CC(C)(C)C(=O)NC[C@H](O)C1CCCCC1 69494413 MEMFNBRMCHBAMW-NSHDSACASA-N 227.348 2.090 0 40 BEAB CN(CC(F)(F)F)C1CCC(CO)CC1 95975869 LSDSGLONMDGKSS-UHFFFAOYSA-N 225.254 2.032 0 40 BEAB CN(C)c1cc(C(=O)OCC(C)(C)C)ccn1 95942862 KLIRPGHHCSIEQR-UHFFFAOYSA-N 236.315 2.351 0 40 BEAB O=C(CCc1cscn1)O[C@@H]1CCSC1 95959363 MRNIACBDISLBGN-SECBINFHSA-N 243.353 2.124 0 40 BEAB CCn1nccc1CNc1cnn(C(C)C)c1 124168700 CMHPPNKJDVCKCN-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB COc1ccc(N(C#N)C[C@@H]2CCCOC2)cc1 530315522 NTFRSSRPLZEPFV-LBPRGKRZSA-N 246.310 2.409 0 40 BEAB O=C(NCCNC1CCCCCC1)C1CCC1 122239480 QOXCAPIECPVOFN-UHFFFAOYSA-N 238.375 2.215 0 40 BEAB c1cc2cc(CN3CCOCC3)ccc2[nH]1 34623286 HVUNVAQCFZYESC-UHFFFAOYSA-N 216.284 2.000 0 40 BEAB Cc1[nH]c2cc(C(=O)N(C)C)cc(O)c2c1C 2362797708 LPPJZTZWPDBMQF-UHFFFAOYSA-N 232.283 2.192 0 40 BEAB CC[C@@H](Cc1ccc(C)cc1)NC(C)=O 81070084 NLNZMPIIYDRIBS-ZDUSSCGKSA-N 205.301 2.452 0 40 BEAB CCC(=O)N1CC[C@@H](NC2CCCCCC2)C1 89941608 MQNIEGMORVAPPB-CYBMUJFWSA-N 238.375 2.310 0 40 BEAB O=C1[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@H]([C@@H]1[C@@H]5C3(Cl)Cl)[C@@H]24 195529092 LOPCDUAQBZDNKR-HFDOXYLASA-N 229.106 2.117 0 40 BEAB CCCN(C)C[C@@H]1Cc2ccccc2N1 87655862 LAIZUVWRYCXFGQ-LBPRGKRZSA-N 204.317 2.365 0 40 BEAB Fc1ccc(CN2CCN[C@H]3CCC[C@@H]32)cc1 225715986 LBRLCNDADHUNML-KBPBESRZSA-N 234.318 2.152 0 40 BEAB O=C(c1ncccc1Br)C1CC1 140031669 CZISFOYCBJQMLI-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](CN)[C@H]12 242687530 ULMGXBABGMHAEG-IGORNWKESA-N 237.265 2.185 0 40 BEAB C[C@H]1CC[C@@H](N[C@H](C)Cn2cncn2)C[C@H]1C 252586973 UVRGJFLYRFVXHE-UMSGYPCISA-N 236.363 2.081 0 40 BEAB Cc1nn(C)cc1CNc1ccnn1C(C)C 256050670 GBLUDHWEWWOETI-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB O=Cc1cncc(-c2ccc(F)cc2)c1O 263617726 PIESSIUPAKPQDM-UHFFFAOYSA-N 217.199 2.406 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C2(F)F 100444770 RYCLZPJKWUKFKM-RNFRBKRXSA-N 219.231 2.261 0 40 BEAB COC(=O)CN1CCC[C@@H]1c1cccs1 53096023 FODZDDIUETWJOE-SECBINFHSA-N 225.313 2.058 0 40 BEAB O=C(O)[C@H]1CCCCN1c1ccc(F)cc1 84497290 PUPGAKPDIOQNNZ-LLVKDONJSA-N 223.247 2.269 0 40 BEAB CC(C)(C)c1cc(=O)[nH]c(C2(N)CCCCC2)n1 71398248 XLAPGAZVIANPBK-UHFFFAOYSA-N 249.358 2.186 0 40 BEAB CCC[C@@H]1CCCC[C@@H]1NC(=O)COC 71796114 GEFMBXWDCJMAFY-MNOVXSKESA-N 213.321 2.108 0 40 BEAB Cc1cccc(N(C)Cc2nccs2)n1 97163345 UJDMFGRQUJAORM-UHFFFAOYSA-N 219.313 2.483 0 40 BEAB OCc1ccc([C@@H]2NCCc3ccccc32)cc1 83693664 OZHONUGJWHPOHV-INIZCTEOSA-N 239.318 2.414 0 40 BEAB COc1ccc(NC(=O)c2cc(C)no2)cc1 5537858 VERNONMBMAGKQP-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB O=C1c2ccccc2CC[C@H]1[C@@H]1CCCN1 19375175 HDNRBVRWENYZLC-STQMWFEESA-N 215.296 2.184 0 40 BEAB CCCNC(=O)c1c(N)sc2c1CCCC2 100102699 ZLCUOPHISIDURH-UHFFFAOYSA-N 238.356 2.349 0 40 BEAB COc1ccc(N)cc1OCC(F)(F)F 20283314 VBQUAQKNJDNXLR-UHFFFAOYSA-N 221.178 2.219 0 40 BEAB in-vitro Cc1ccc([C@H](C)NC(=O)c2cnn(C)c2C)o1 40487848 UCOAZCHFYMTJLD-VIFPVBQESA-N 247.298 2.121 0 40 BEAB CN(C)Cc1nc(Cl)c2ccccc2n1 3887549 FOYZORGYMUFUBD-UHFFFAOYSA-N 221.691 2.345 0 40 BEAB CCN(CC)S(=O)(=O)c1ccc(C)cc1C 5672201 NPWMBRJAXOMJRU-UHFFFAOYSA-N 241.356 2.334 0 40 BEAB CCOC(=O)[C@@H](C)N1CCCCCCC1 6403279 SONFEJOFNQXGFB-LLVKDONJSA-N 213.321 2.204 0 40 BEAB Nc1cccnc1Oc1ccc(C(=O)O)cc1 6828773 IVQWVHDHYYEXHT-UHFFFAOYSA-N 230.223 2.154 0 40 BEAB C[C@H]1CCc2c(c3ccccc3[nH]c2=O)O1 8579904 GOUGXEZJGPPHNS-QMMMGPOBSA-N 215.252 2.242 0 40 BEAB Cc1ccc2oc(=O)cc(Cn3ccnc3)c2c1 11535815 QGBSTUSTJCVXPO-UHFFFAOYSA-N 240.262 2.346 0 40 BEAB biogenic CCc1cc(C(=O)O)c2c(C3CC3)noc2n1 12399130 YVDFKUCHGLCKEB-UHFFFAOYSA-N 232.239 2.361 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1nccs1 12872723 DEDWOJGGNGNSBV-QMMMGPOBSA-N 208.286 2.438 0 40 BEAB CCOc1c(Cl)cc(CO)cc1OC 13007120 KMGNRJSCXJRIMB-UHFFFAOYSA-N 216.664 2.240 0 40 BEAB CCc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 15914046 FAAAMOPSEHBJJW-UHFFFAOYSA-N 242.278 2.190 0 40 BEAB CC(C)[C@@H](N)CN(C)Cc1ccccc1 20072519 KNGBJSXFCBIQGY-ZDUSSCGKSA-N 206.333 2.102 0 40 BEAB in-vitro N[C@H]1CCCc2c1cnn2Cc1ccccc1 20283127 PDNVNRNGDGDHST-ZDUSSCGKSA-N 227.311 2.268 0 40 BEAB in-vitro OC1=Nc2n[nH]cc2[C@@H](c2cccnc2)SC1 20720472 QZDVMNAZZOUMRA-SNVBAGLBSA-N 246.295 2.229 0 40 BEAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)C 21768288 FVSAJXYTZQQZIN-UHFFFAOYSA-N 242.322 2.482 0 40 BEAB COc1ccc(NC(=O)C2CCOCC2)cc1 25131955 YGQICOYTAFIKNB-UHFFFAOYSA-N 235.283 2.060 0 40 BEAB Cc1nn(C)c(OCc2ccccc2)c1C=O 26513539 BHLPTJOOSXVWMX-UHFFFAOYSA-N 230.267 2.120 0 40 BEAB C[C@H](NC(=O)N[C@H](C)C1CC1)c1ccccn1 29728982 LCSKDHAOQPQIAV-ZJUUUORDSA-N 233.315 2.240 0 40 BEAB CC[C@H](C)N(CC(=O)O)Cc1ccccc1 32013860 GYCZQGPHLREAJS-NSHDSACASA-N 221.300 2.372 0 40 BEAB O=C(c1ccc(O)cc1O)c1ccccc1F 32502191 PFRNIAXGPNTGEG-UHFFFAOYSA-N 232.210 2.468 0 40 BEAB Cc1ccc(C(=O)N2CCOCC2(C)C)cc1 36101956 PELCNTPLSPIYAV-UHFFFAOYSA-N 233.311 2.246 0 40 BEAB CNCc1ccc(Br)cc1F 36923363 KTZKPKRLQCZXOX-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB in-vitro C[C@@H](CN)c1ccccc1OC(F)F 37245656 VMHWBKCGBFBOQU-ZETCQYMHSA-N 201.216 2.350 0 40 BEAB COC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)nn1 37527385 WHKNFVUBXVJIEX-ZJUUUORDSA-N 249.314 2.254 0 40 BEAB C[C@@H](NCCn1cccn1)c1cccc(F)c1 42538971 GSXDVPRURKKHAQ-LLVKDONJSA-N 233.290 2.373 0 40 BEAB CC(C)C(=O)N(C)CCOc1ccccc1F 44874030 MUAQSARGXHMHIM-UHFFFAOYSA-N 239.290 2.319 0 40 BEAB CCn1nc(C)c(CNCC2CC2)c1C 45795991 PXMNBNSNKMRICV-UHFFFAOYSA-N 207.321 2.019 0 40 BEAB Cc1cccc(CNc2cccc(C(=O)O)n2)n1 51577173 BIEAMGZKHNUIKR-UHFFFAOYSA-N 243.266 2.095 0 40 BEAB CCC(=O)Nc1cc(-c2ccccc2OC)n[nH]1 58289692 GTMXJVHHKKJIDO-UHFFFAOYSA-N 245.282 2.434 0 40 BEAB CSc1ncc(CNCCC(C)C)cn1 62717255 CZAFLNRIZQIHES-UHFFFAOYSA-N 225.361 2.334 0 40 BEAB OCc1nc2cc(C(F)(F)F)ccc2[nH]1 66347754 UHYXPZNNZRASOQ-UHFFFAOYSA-N 216.162 2.074 0 40 BEAB CCn1cc(NC(=O)c2ccccc2)cn1 69349766 HHVYRNGEQNLSHX-UHFFFAOYSA-N 215.256 2.155 0 40 BEAB NC[C@@H]1CCCCN1CCc1ccsc1 69764953 QTAZYVFVJVAXCV-LBPRGKRZSA-N 224.373 2.104 0 40 BEAB C[C@@H](CC(=O)N1CCN[C@H](C)C1)CC(C)(C)C 71978899 MAIZCWMVHAYQEK-NWDGAFQWSA-N 240.391 2.269 0 40 BEAB C[C@@H](C(=O)O)c1ccc(N)c(Br)c1 72207315 XNNSUUSTGGEJDY-RXMQYKEDSA-N 244.088 2.219 0 40 BEAB CC[C@@H](N)[C@H]1CCCN1C(=O)OC(C)(C)C 72208644 VXVKOWIGVDIUNF-NXEZZACHSA-N 228.336 2.123 0 40 BEAB O=CN1CCC[C@H]1c1ccc(Cl)nc1 72211438 DUWOTILZZZBIMI-VIFPVBQESA-N 210.664 2.028 0 40 BEAB c1csc(CN2CCCSCC2)n1 89982497 MCJZVLVWRCGBAC-UHFFFAOYSA-N 214.359 2.082 0 40 BEAB CCn1ncc2c(Cl)nc(SC)nc21 91302206 GJICGEFYYJMUBA-UHFFFAOYSA-N 228.708 2.222 0 40 BEAB CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1OCC[C@H]1C 95458857 NURBPORBKLKRHB-KXNHARMFSA-N 225.332 2.201 0 40 BEAB CC(C)=CCC[C@H](C)N[C@@H](C)Cn1cncn1 95967507 JJUJHALAQQTGJS-STQMWFEESA-N 236.363 2.391 0 40 BEAB C[C@@H](CO)SCc1ccnc(Cl)c1 96430348 FLDIBZLRXYYCCV-ZETCQYMHSA-N 217.721 2.349 0 40 BEAB CCOC(=O)C(=O)CC(=O)c1ccc(C)cc1C 100407705 XYVHEIVBAQRIGE-UHFFFAOYSA-N 248.278 2.008 0 40 BEAB in-vitro OC1C[C@H]2CC[C@H](C1)N2c1ccccc1 102233563 AZQPQDSVAJMYQD-VXGBXAGGSA-N 203.285 2.179 0 40 BEAB Cc1csc(C2=C(O)CN(C(C)C)C2=N)n1 102243234 HCVQFHCCFANAMH-UHFFFAOYSA-N 237.328 2.422 0 40 BEAB O=C1[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@@H]3[C@H]2C(Cl)(Cl)[C@H]5[C@H]14 102942827 LOPCDUAQBZDNKR-KZXQSNAFSA-N 229.106 2.117 0 40 BEAB CCOC(=O)CCc1cc(F)cc(F)c1OC 199566091 GNYQKSIDBQFUEX-UHFFFAOYSA-N 244.237 2.469 0 40 BEAB Cc1ccc([C@@H](CCO)CCN(C)C)cc1 217800351 LXVFMXIBNVLYLF-CQSZACIVSA-N 221.344 2.413 0 40 BEAB CN1[C@H]2CC[C@H]1[C@@H](Cc1ccccc1)[C@H](N)C2 252515177 HTVQMHPPOYWTJI-XQLPTFJDSA-N 230.355 2.039 0 40 BEAB CCCn1ccc(CNCCC(C)C)n1 256054534 WSLUIZDCZIPCDK-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB Nc1nc(O)c2cc(-c3cccc(F)c3)[nH]c2n1 257197632 FGSMVXCSFXIRQQ-UHFFFAOYSA-N 244.229 2.052 0 40 BEAB Cc1cc(C)cc(NC(=O)Cn2cncc2C)c1 527646968 STGGVDRKLHLWOB-UHFFFAOYSA-N 243.310 2.447 0 40 BEAB C[C@H](C(=O)N1CC2CC1(C)C2)c1ccncc1 630085496 MLJSZDIKZMFLEP-IFQILLTASA-N 230.311 2.196 0 40 BEAB Cn1cc(CNc2ccc(F)cc2)cn1 2536132 QZRGNKJGNZIGRI-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB in-vitro O=C(Nc1cccc(Cl)c1)C1=COCCO1 5560119 CLFXNPWQBDUJQT-UHFFFAOYSA-N 239.658 2.167 0 40 BEAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCO1 5768789 QUVWWDSLHJTWPZ-SNVBAGLBSA-N 225.675 2.458 0 40 BEAB CCOC(=O)Oc1ccc(C=O)cc1OC 5856438 BMQGIGJVGVCXGC-UHFFFAOYSA-N 224.212 2.043 0 40 BEAB C[C@@H](NC(=O)CCCC(=O)O)c1ccccc1 6253039 FHYJUEYRHAKUMQ-SNVBAGLBSA-N 235.283 2.119 0 40 BEAB CCOC(=O)c1cc(C2(O)CCCCC2)on1 6668865 PJVJDYVNULCLGS-UHFFFAOYSA-N 239.271 2.003 0 40 BEAB CC(C)NC(=O)c1ccc(Cn2cccn2)cc1 8748280 MWHCJAMZMAJHIA-UHFFFAOYSA-N 243.310 2.070 0 40 BEAB O=C(Nc1nccs1)c1n[nH]c2ccccc12 9156774 CKFZZOIPOYAUQY-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB Cc1ccc2nc3c(cc2c1)c(N)nn3C 11727740 QPCJEEFTACUKBP-UHFFFAOYSA-N 212.256 2.012 0 40 BEAB O=C(O)c1cncc(Cl)c1C(F)(F)F 11919473 RIJPVCHVTGJIJX-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB COc1ccc(-c2csc(N)c2C(N)=O)cc1 12398448 BLSALEXXCUOPOI-UHFFFAOYSA-N 248.307 2.105 0 40 BEAB C[C@@H](C(=O)N(C)c1ccccc1)n1cccn1 12987490 GHVQVZAJCYTAKH-NSHDSACASA-N 229.283 2.107 0 40 BEAB CCc1cccc(C)c1NC(=S)NC(C)=O 14001555 QXHWWLVWJDKWEJ-UHFFFAOYSA-N 236.340 2.390 0 40 BEAB CCN(CC)CCOc1ccc(N)cc1C 14630449 ZAEKMFPFNPVTMX-UHFFFAOYSA-N 222.332 2.298 0 40 BEAB COc1nccc2[nH]cc(Br)c12 14986173 ALOHKXVQDVMENU-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro Nc1cc(F)ccc1OCc1ccncc1 15937421 LLDRXMIRGZIOKU-UHFFFAOYSA-N 218.231 2.382 0 40 BEAB CCOCCN(CC)c1ccc(C=O)cc1 21999891 VPQDJWZOKQGORL-UHFFFAOYSA-N 221.300 2.362 0 40 BEAB Cc1ccc(C(=O)NCc2cccs2)n1C 23239021 JLMGKSNQHVMPEM-UHFFFAOYSA-N 234.324 2.325 0 40 BEAB COC(=O)[C@H](c1ccc(N)cc1)C(C)C 26507027 IFGSXBYORYHZCP-NSHDSACASA-N 207.273 2.181 0 40 BEAB O=c1cc(O)[nH]c2c(C(F)(F)F)cccc12 28707375 WXNKDTMOZSFSAB-UHFFFAOYSA-N 229.157 2.253 0 40 BEAB O=C(NC[C@H](O)c1ccccc1)[C@H]1CC=CCC1 32845119 IWEHXKKMCRZEBO-KBPBESRZSA-N 245.322 2.193 0 40 BEAB C[C@H]1CCCN(CCNC2CCCC2)C1 37482380 JFZJSDCWURQJJA-LBPRGKRZSA-N 210.365 2.251 0 40 BEAB CCN(CC)[C@H](CN)c1ccccc1OC 38808903 FTKHTUNOIFYGLO-GFCCVEGCSA-N 222.332 2.037 0 40 BEAB O=C(O)c1cc(O)cc(OCC(F)(F)F)c1 39947482 CNCAOTMTYQULPP-UHFFFAOYSA-N 236.145 2.032 0 40 BEAB in-vitro CCc1ccc([C@H](CO)N2CCCC2)cc1 41232820 RNLYAXLYDFTOIE-AWEZNQCLSA-N 219.328 2.378 0 40 BEAB CCn1c(SC2CC2)nnc1C1CC1 41360430 SQITVDXTBNYTEI-UHFFFAOYSA-N 209.318 2.430 0 40 BEAB CC(C)Oc1ccc(C(=O)NCC2CC2)cn1 43011275 VZBVZSVXNMIDKP-UHFFFAOYSA-N 234.299 2.009 0 40 BEAB CCOC(=O)Cc1cc(F)c(F)c(F)c1 43503700 PVWOHMJDENMVMZ-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB CCCCN(C)C(=O)Nc1ccc(OC)nc1 48019143 RHEMDNRLYUHCSJ-UHFFFAOYSA-N 237.303 2.354 0 40 BEAB c1ccc2oc(OC[C@H]3CCCNC3)nc2c1 51883212 DSVBPJYOOQCDBM-JTQLQIEISA-N 232.283 2.206 0 40 BEAB C=CC(=O)NCc1ccc(F)c(Cl)c1 53155701 NWGWNDONSWTREI-UHFFFAOYSA-N 213.639 2.281 0 40 BEAB O=C(O)C1(Cc2cccc(F)c2)CCOCC1 61674711 RXNSIWMZXKBHEH-UHFFFAOYSA-N 238.258 2.250 0 40 BEAB in-vitro NC(=O)c1cc(Cl)ccc1OC(F)(F)F 71867305 NRAWYPLVPCUXOA-UHFFFAOYSA-N 239.580 2.338 0 40 BEAB Cc1cc(Cn2ccnc2-c2ccccn2)on1 71888749 NNWURPWCNVHQSQ-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB c1cc(NC2CC2)ncc1[C@@H]1CCCCN1 72213790 GKPRFMCAHAATNL-LBPRGKRZSA-N 217.316 2.471 0 40 BEAB O=C(Nc1ccccc1F)c1ccc[nH]1 74701556 WZIKDXINSRDYBJ-UHFFFAOYSA-N 204.204 2.406 0 40 BEAB C[C@H](CC[S@@](C)=O)NCc1ccc(F)cc1 75110427 UVLBVMLALWUWDL-HWPZZCPQSA-N 243.347 2.072 0 40 BEAB COc1cc(SC)sc1C(=O)O 75604696 ZQBXCXJXRBMCLT-UHFFFAOYSA-N 204.272 2.177 0 40 BEAB CC(=O)N1CCc2cc(C3CCNCC3)ccc21 75869457 VEGMHZVXIUNAGY-UHFFFAOYSA-N 244.338 2.063 0 40 BEAB CCn1cc(C(=O)Nc2cc(F)ccc2O)cn1 79014387 BDGUOYLGSBJKIZ-UHFFFAOYSA-N 249.245 2.000 0 40 BEAB Nc1ccc(Cl)cc1-c1cnccn1 88123410 RXFINSIMTWJTKI-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB Nc1cn(Cc2cccc(Cl)c2Cl)nn1 95097707 OWNAMTDPMYQQSE-UHFFFAOYSA-N 243.097 2.215 0 40 BEAB CC[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 95932438 LEFBERMUUFOGBV-BDAKNGLRSA-N 243.303 2.107 0 40 BEAB in-vitro COCCCOc1ccc(OC)c(F)c1 95939535 BRZBGDMICYCDCE-UHFFFAOYSA-N 214.236 2.250 0 40 BEAB CCOC(=O)c1c(C)ncn1C1CCCC1 96524062 VWWKLYVNIXOERA-UHFFFAOYSA-N 222.288 2.483 0 40 BEAB C[C@H](c1ccccn1)N(C)Cc1csnn1 97375254 QVBCRSSFTNCKQI-SECBINFHSA-N 234.328 2.126 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC12CCOCC2 98213967 IKKMVYIICQQNHL-VIFPVBQESA-N 227.304 2.080 0 40 BEAB CN(C)[C@@H]1[C@H](N(C)C)[C@H]2CC[C@@]1(C)C2(C)C 100364833 WWHMPEUSLLXFGZ-HKUMRIAESA-N 224.392 2.303 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)c1nnc(S)nc12 100956418 UJACBIJGKMHVFB-KGFZYKRKSA-N 221.329 2.335 0 40 BEAB CCN(CC)C(=O)c1cn(-c2ccccc2)cn1 227115859 LSTNDLHTGVRJIT-UHFFFAOYSA-N 243.310 2.354 0 40 BEAB CN(CC1CC1)[C@H]1CCCN(c2ccccn2)C1 257225629 FHBWFWJZDLFLIS-AWEZNQCLSA-N 245.370 2.392 0 40 BEAB CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2O 258346012 UJGCUAKGWBJCRJ-IXBNRNDTSA-N 241.331 2.061 0 40 BEAB COc1cc2c(cc1C(F)F)OCO2 575628948 GYWAJWNZPAOSIZ-UHFFFAOYSA-N 202.156 2.362 0 40 BEAB Cc1nc(Cn2cc(C(C)C)cn2)co1 580725074 OBIPGKUPLNLZLW-UHFFFAOYSA-N 205.261 2.351 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCCC2=O)C1 953089928 BRQJEJXSBHAVDE-UHFFFAOYSA-N 239.315 2.367 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](CO)C[C@@H]21 953119708 DJGRWWPSKGQVAE-MXWKQRLJSA-N 241.331 2.014 0 40 BEAB CC(C)C=C(NC(=O)c1ccccc1)C(=O)O 2049250033 ISSHWTGIRNIHQM-UHFFFAOYSA-N 233.267 2.041 0 40 BEAB COc1ccc(/C=C2/N=C(C)OC2=O)cc1OC 70584 ABAKBSGPUNJZIZ-UXBLZVDNSA-N 247.250 2.020 0 40 BEAB CC(=O)N(C)c1ccc(NC(=O)C2CC2)cc1 142441 RDZMJFLKKOERAF-UHFFFAOYSA-N 232.283 2.018 0 40 BEAB O[C@H](CSc1cccs1)CN1CCCC1 160145 IRUHWTMTUBNYIU-JTQLQIEISA-N 243.397 2.297 0 40 BEAB CCC[C@H]([C@H](CC)CN(C)C)N(C)C 1662277 SJLKSOZBYOLBNB-VXGBXAGGSA-N 200.370 2.305 0 40 BEAB CCCCOCCOC(=O)c1cccnc1 2020020 IZJRISIINLJVBU-UHFFFAOYSA-N 223.272 2.055 0 40 BEAB world Cn1ccnc1SCc1ccccn1 6188099 NCQORZHLZMDUIU-UHFFFAOYSA-N 205.286 2.107 0 40 BEAB Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C)cc1 6641508 LHJUXZWAVZHIDP-PWSUYJOCSA-N 247.294 2.133 0 40 BEAB COc1ccc2[nH]c(=O)c(C)c(C)c2c1 8642469 KGENJCDSQVLJKB-UHFFFAOYSA-N 203.241 2.154 0 40 BEAB FC(F)(F)c1nc(=S)c2[nH]cnc2[nH]1 13212673 NVRHELPZQYUXMX-UHFFFAOYSA-N 220.179 2.034 0 40 BEAB Cc1ncc(CO)c(COCCC(C)C)c1O 13281644 ICCCQDLVQBRWGH-UHFFFAOYSA-N 239.315 2.151 0 40 BEAB CC[C@H](C)C(=O)NCCc1ccc(O)cc1 13531082 GHWNXVWVLOGWPT-JTQLQIEISA-N 221.300 2.097 0 40 BEAB biogenic CCC(CC)C(=O)N[C@@H]1CCCc2c1cnn2C 13566653 UJHFECYAEAZZSI-GFCCVEGCSA-N 249.358 2.350 0 40 BEAB NNCc1ccc(OCc2ccccc2)cc1 19386329 HWQQPPNUPGCDRL-UHFFFAOYSA-N 228.295 2.229 0 40 BEAB Cc1cc(NCc2cccc(F)c2)nn1C 20350324 POMWOUSERCPJCQ-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB COC(=O)[C@@H]1CC(=S)N(c2ccccc2)C1 20358010 UUSBHARQPISLSU-SECBINFHSA-N 235.308 2.013 0 40 BEAB Cc1n[nH]c(=S)nc1NNc1ccccc1 27562809 JZRAFCHJIIJWIO-UHFFFAOYSA-N 233.300 2.282 0 40 BEAB Fc1ccc(-c2nnc([C@@H]3CCCNC3)o2)cc1 32102803 YLUHXSXRRDTDAX-SNVBAGLBSA-N 247.273 2.343 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](O)C1CCCCC1 33994634 KCTVOLJZORBLPX-NSHDSACASA-N 243.347 2.452 0 40 BEAB COc1ccc(C=O)c(OC)c1Br 34227366 QXSWWYIZFZHXNS-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB NC(=S)c1cc(Br)cs1 34961463 NCTSBNPWZRWXBI-UHFFFAOYSA-N 222.132 2.145 0 40 BEAB in-vitro Fc1ccccc1CNC1CCOCC1 36304052 VJDVDWXYFZNXLH-UHFFFAOYSA-N 209.264 2.094 0 40 BEAB in-vitro CCONC(=O)c1cc(CC)c(C)s1 36392398 OURYJFNHZCZSCS-UHFFFAOYSA-N 213.302 2.300 0 40 BEAB O=c1[nH]c2c(cc1Br)CCCC2 39651050 UTAVWZJIPPDSAU-UHFFFAOYSA-N 228.089 2.016 0 40 BEAB CN(c1ccc(N)cc1C(N)=O)C1CCCCC1 41081266 YGGTUJAOTYCCOM-UHFFFAOYSA-N 247.342 2.137 0 40 BEAB CNC(=O)C[C@H]1CCCc2ccccc21 41212038 SCVPVDOBZDUAPT-LLVKDONJSA-N 203.285 2.243 0 40 BEAB CCC(=O)NCCCOc1ccccc1F 44889189 KJEJLDRMQYHLDD-UHFFFAOYSA-N 225.263 2.121 0 40 BEAB CC(C)C(=O)N1CCN(C)[C@H](c2ccccc2)C1 62108905 KAWJAHNOISOICP-AWEZNQCLSA-N 246.354 2.158 0 40 BEAB CCOC(=O)C[C@](C)(CC)N(CC)CC 70824219 TYFOWRZLODECRD-LBPRGKRZSA-N 215.337 2.450 0 40 BEAB CC[C@H](O)c1cnc(N2CCCC2)c(C)c1 72222436 QMFFZEKMFKOEMD-LBPRGKRZSA-N 220.316 2.434 0 40 BEAB Cc1oc(-c2ccsc2)nc1Cn1cncn1 72292449 RZLWONJBUFHEIN-UHFFFAOYSA-N 246.295 2.351 0 40 BEAB CCS(=O)(=O)[C@@H](C)C(=O)c1ccc(C)cc1 81907142 FWTKJJVJRMGIOD-JTQLQIEISA-N 240.324 2.001 0 40 BEAB CC(=O)c1cnc2ccc(Br)cn12 82328927 DDVXKYXTMIQMPV-UHFFFAOYSA-N 239.072 2.299 0 40 BEAB COc1ccc(/C=C/[C@H](C)N)cc1OC 83592249 QCOGFGGEQMCAEH-MOVJSRMASA-N 207.273 2.064 0 40 BEAB Cn1cc(CCNc2nccc3occc23)cn1 91453890 ZUPSRLKWPKNIKA-UHFFFAOYSA-N 242.282 2.216 0 40 BEAB CSc1cccc(Cl)c1C(N)=O 95347690 WKRGXFXDWBBOGE-UHFFFAOYSA-N 201.678 2.161 0 40 BEAB in-vitro Cc1c(CN2CCc3ccccc32)cnn1C 95424157 RLCJBCWJRJBORK-UHFFFAOYSA-N 227.311 2.291 0 40 BEAB Cc1cnc(NCCOCC(C)C)nc1C 95978495 NQNMUUBFYFXAGX-UHFFFAOYSA-N 223.320 2.178 0 40 BEAB CCC(CC)CN[C@H]1CCCn2ncnc21 96493686 GOEJATNWGOIUMU-NSHDSACASA-N 222.336 2.139 0 40 BEAB Cc1cc(C(=O)Oc2c(C)nn(C)c2C)c(C)o1 98013249 MMKLHYKJRYTKFP-UHFFFAOYSA-N 248.282 2.466 0 40 BEAB O=C(O)c1cc(OCc2cccnc2)ccc1O 216846046 JNWDNMSNXRCJDJ-UHFFFAOYSA-N 245.234 2.064 0 40 BEAB COc1ccc(CCN[C@@H]2CCCC[C@@H]2N)cc1 218856410 PHQGZTBHYWLDBZ-LSDHHAIUSA-N 248.370 2.097 0 40 BEAB N[C@@H]1CCC[C@@H]1Nc1c(F)cccc1F 218882792 NAFSIPKLEYJQMA-ZJUUUORDSA-N 212.243 2.257 0 40 BEAB CCO[C@@H](Cc1ccccc1Cl)C(=O)O 220528447 ZWYJIVFOTZXJNZ-JTQLQIEISA-N 228.675 2.372 0 40 BEAB Cc1ccccc1C(=O)c1ccncc1N 228938873 KXNQXESLABOGFK-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB O=C(c1cnc2ccccc2n1)N1CC=CCC1 238845324 IEFDKEMDCDPHNV-UHFFFAOYSA-N 239.278 2.032 0 40 BEAB N[C@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1 252517002 YSKFCZIPASFMFO-HLTSFMKQSA-N 215.387 2.310 0 40 BEAB CCn1nccc1CNc1cc(C)nn1CC 256054890 YFCVZTWXCBTMAU-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 264315548 UERXIFUAQCAOJP-LLVKDONJSA-N 207.248 2.162 0 40 BEAB COc1c(F)cc(F)cc1C(=O)C(F)F 382361866 PUVKWPNCDMSESX-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB CN(C(=O)c1cscn1)[C@@H]1CCC[C@@H]1F 585298966 XAQJNBSTFQEHSA-IONNQARKSA-N 228.292 2.106 0 40 BEAB CC[C@H](NC)C(=O)N1CC(C)(C)c2ccccc21 662499055 YJCYKQFGEZOXFY-LBPRGKRZSA-N 246.354 2.309 0 40 BEAB CC(C)[C@H](C)N(C)c1nccn2cncc12 892010537 WDXOCOYENNTFLL-JTQLQIEISA-N 218.304 2.210 0 40 BEAB C[C@@H]1CCC[C@]2(C1)NC(=S)N(C(C)(C)C)N2 139825 IARFFTLYQWSPOS-SKDRFNHKSA-N 241.404 2.386 0 40 BEAB CC(=O)Nc1nc(C)c2c(n1)C[C@@H]1[C@H]2C1(C)C 519374 BESMNXKBNDKJBW-LDYMZIIASA-N 231.299 2.039 0 40 BEAB biogenic CC(C)(C)CC(=O)NC(=S)N1CCCCC1 950473 BYRDSSNEQOIMLI-UHFFFAOYSA-N 242.388 2.310 0 40 BEAB S=C(S)N1CCN(c2ccccc2)CC1 1648058 IZXGXPRKFJRXRR-UHFFFAOYSA-N 238.381 2.023 0 40 BEAB Cc1sc2ccnc(C)c2c1S(=O)(=O)O 6143899 YNJSFOQZBPZGLI-UHFFFAOYSA-N 243.309 2.160 0 40 BEAB O=C(C[C@H](O)c1ccncc1)c1ccccc1 8581339 GMYRGNADPRBJJK-AWEZNQCLSA-N 227.263 2.388 0 40 BEAB C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)N1 8701193 XMCZSVZCOOYCDS-RKDXNWHRSA-N 239.750 2.109 0 40 BEAB O=Cc1ccc(OCc2ccncc2)cc1 19439010 NJWQYDUYMAMRAT-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB in-vitro CN(C[C@H]1CCCCN1)c1ccccc1 19485297 IWLZJGQBGKKYCM-GFCCVEGCSA-N 204.317 2.265 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@@H](C)N)c(OC)c1 20392311 RRLUYITYNNJRHP-FXAINCCUSA-N 221.300 2.155 0 40 BEAB O=C(Cn1ccnc1)c1ccc(F)cc1F 21986354 SOZGBQIEPMIPHN-UHFFFAOYSA-N 222.194 2.044 0 40 BEAB CCCn1nccc1NC(=O)c1ccco1 31770637 WLTPNDIULVQHOF-UHFFFAOYSA-N 219.244 2.138 0 40 BEAB Nc1cccc(-c2cn3c(n2)CCCC3)c1 32625285 ZXLBIMVZQQUVFW-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB in-vitro CCC(C)(C)OC[C@@H](O)CN1CCC[C@H](C)C1 35354119 STCBZPONCVZIMZ-STQMWFEESA-N 243.391 2.284 0 40 BEAB C=CC(=O)Nc1ccc2oc(C)nc2c1 36334734 PGHLZBZHBNXPNV-UHFFFAOYSA-N 202.213 2.261 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](O)CCC[C@H]21 38526312 MRMYRYLVMIZVQM-MXWKQRLJSA-N 241.331 2.157 0 40 BEAB c1ccc(OCCC[C@@H]2CCNC2)cc1 42784175 UCBQZFAIQDCRDU-GFCCVEGCSA-N 205.301 2.455 0 40 BEAB O=Cc1c[nH]c2c(Br)ccnc12 44713001 BNYSDPYZNHPBJU-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB O=C(O)c1ccc(OC(F)F)c(F)c1 47203367 BDTNUJKTIBXNOC-UHFFFAOYSA-N 206.119 2.125 0 40 BEAB Cc1c2c(nc3cc4c(cc13)OCO4)CCC2=O 48607393 VFKIFBZEHGIRRR-UHFFFAOYSA-N 241.246 2.401 0 40 BEAB Cc1nn(-c2cccc(F)c2)cc1C(=O)O 49668244 WPHZWRNCRXEJOB-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB Cc1cc(C(F)(F)C(=O)O)ccc1F 52232654 HIAKETUZNHMVSX-UHFFFAOYSA-N 204.147 2.311 0 40 BEAB COC1CCN(Cc2ccccc2F)CC1 53906787 OURRIWNYBHNGLG-UHFFFAOYSA-N 223.291 2.437 0 40 BEAB OC(=C\C1=NCCN1)/C=C/c1cccc(F)c1 62716139 MJMRWCFRDPGTJO-RBCGRJENSA-N 232.258 2.283 0 40 BEAB CCn1cc(NC(=O)c2cccs2)cn1 69350879 SIEHARKBVPWYKE-UHFFFAOYSA-N 221.285 2.217 0 40 BEAB O=C(C1CCC1)N1CCCC[C@H]1c1ccncn1 72187554 ACKPTLWRXDLZOU-ZDUSSCGKSA-N 245.326 2.330 0 40 BEAB CNCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 72311433 FQPICDIBZAXAKU-SNVBAGLBSA-N 230.352 2.145 0 40 BEAB in-vitro Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)no1 75895263 AWXRIOMPXPSWGE-NXEZZACHSA-N 226.345 2.309 0 40 BEAB COc1ccc(-c2n[nH]c(=S)n2C)cc1F 77384528 VTDYPYIUZWRHAK-UHFFFAOYSA-N 239.275 2.292 0 40 BEAB NC1(c2cc(Cl)ccc2Cl)COC1 84398354 UKTLZGIMWBLAOJ-UHFFFAOYSA-N 218.083 2.178 0 40 BEAB Cc1ccc2nc(-c3nonc3N)sc2c1 85930147 GCYCUHGMCQIICT-UHFFFAOYSA-N 232.268 2.237 0 40 BEAB Cc1cc(C)nc(N2C[C@H]3CCC[C@H]3C2)n1 89599439 NOMODSJDPNITDZ-TXEJJXNPSA-N 217.316 2.330 0 40 BEAB CCOC(=O)CCc1ccc2[nH]ncc2c1 90471154 YGKUOQIKXOFOJV-UHFFFAOYSA-N 218.256 2.059 0 40 BEAB C[C@H](NC[C@H](C)[S@](C)=O)c1cccc(F)c1 90843526 ZUVSKCDNNYUXKJ-XQJJYNOISA-N 243.347 2.243 0 40 BEAB COCc1ccc(SCC(=O)N(C)C)cc1 96447845 NRPXHCKCZJQVBN-UHFFFAOYSA-N 239.340 2.013 0 40 BEAB OCC[C@H](NCC(F)(F)F)C1CCCCC1 97138155 SGZBAGGEEIKZOD-JTQLQIEISA-N 239.281 2.470 0 40 BEAB COC(=O)c1cc(-c2ccc(C)cc2OC)n[nH]1 106679498 AETCECJZSARDIB-UHFFFAOYSA-N 246.266 2.180 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@H](C)O)c(OC)c1 108350644 CULABQLGBWDNOG-UWJYBYFXSA-N 222.284 2.188 0 40 BEAB Cc1occc1SCCCN1CCOCC1 131472198 UIDWUDUWQORTHP-UHFFFAOYSA-N 241.356 2.402 0 40 BEAB CC(=O)c1c(C)cccc1NC(=O)[C@@H]1CCCO1 157641313 GLUYENRKFKSDDU-LBPRGKRZSA-N 247.294 2.315 0 40 BEAB C[C@@H](CCc1ccccc1)NC(=O)c1cnco1 224062590 JMGSYYWQUQBHTG-NSHDSACASA-N 244.294 2.426 0 40 BEAB CCOc1ccc(C(=O)NC2CC2)cc1COC 224681839 JIFDPTKTHAVEJH-UHFFFAOYSA-N 249.310 2.124 0 40 BEAB CCOc1ccccc1N(C)[C@@H](CC)C(=O)O 224998210 OQEXSHKWCQLYQZ-JTQLQIEISA-N 237.299 2.385 0 40 BEAB Cc1nc(N2CCNCC2)c2ccccc2c1C 225747948 ALUAQVQXKDRLRA-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB NC1C(c2ccccc2)C(N)C1c1ccccc1 225749755 OFCIZBDOJOHGIO-UHFFFAOYSA-N 238.334 2.222 0 40 BEAB CCC[C@H](Oc1nn(C)c2ccccc12)C(=O)O 225770761 FFBJOEBBPJFIQQ-NSHDSACASA-N 248.282 2.205 0 40 BEAB COc1ccc(C(=O)C(F)F)cc1C 234880836 OLXVRKUARRZQBQ-UHFFFAOYSA-N 200.184 2.451 0 40 BEAB CCOc1ccc2nc(O)c(C(=O)OC)cc2c1 253535999 ALJIEEAUHTUAOB-UHFFFAOYSA-N 247.250 2.126 0 40 BEAB CC[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCC[C@H]2O1 257270553 MURYVDXOJKTPJB-WUHRBBMRSA-N 239.359 2.495 0 40 BEAB Cc1nnc(N2CC(C)(C)C[C@@H]2C)s1 334714793 IPRAKLBDSMXUDA-ZETCQYMHSA-N 211.334 2.471 0 40 BEAB CC(C)OCc1ccn(CC(F)F)n1 408715331 JJGGUVICOWRHKA-UHFFFAOYSA-N 204.220 2.073 0 40 BEAB CC1(NC(=O)OC(C)(C)C)C[C@@H]2CC[C@H](C1)N2 575441363 HARRTJTXPGGUIH-HWYHXSKPSA-N 240.347 2.184 0 40 BEAB Cn1ccc(C(=O)N2CCCc3ccccc32)n1 483455 KZTOYRSLHATIRH-UHFFFAOYSA-N 241.294 2.013 0 40 BEAB CC(C)OC(=O)[C@H]1C=CCc2c(O)ccc(O)c21 1609700 PLAYSQWDAJXWHV-JTQLQIEISA-N 248.278 2.245 0 40 BEAB Clc1ccc([C@H]2C[C@H]3CC[C@@H]2N3)cn1 2565794 NLPRAJRHRHZCQQ-BBBLOLIVSA-N 208.692 2.343 0 40 BEAB in-vitro CC(C)(C)NC[C@@H]1CO[C@H](c2ccccc2)O1 3010054 IWFPJSASCSZFCH-OLZOCXBDSA-N 235.327 2.489 0 40 BEAB Cc1cc(-n2c(C)cc(/C=C/C(=O)O)c2C)no1 3357019 KNWXGLFNPYEIDZ-SNAWJCMRSA-N 246.266 2.488 0 40 BEAB CCOC(=O)c1ccn(C2CCCC2)n1 4294249 ONRAKOLPWHMJAK-UHFFFAOYSA-N 208.261 2.175 0 40 BEAB C[C@@H]1[C@H]2CC(=O)N(C)[C@]1(C)Oc1ccccc12 4511915 QAJBXYNHEPDHHV-GLXFQSAKSA-N 231.295 2.377 0 40 BEAB O=C(CN1CCCCC1)Nc1ccccc1F 5022687 WVCLWGNWJXMAIT-UHFFFAOYSA-N 236.290 2.250 0 40 BEAB CCCC[C@H]1CN1P(=O)(OC)OC 5554577 OSPFUUYPZHQJSG-IENPIDJESA-N 207.210 2.262 0 40 BEAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)O 6306498 MJOSQGRPLTUAHR-LLVKDONJSA-N 241.331 2.182 0 40 BEAB CCNC(=O)c1ccc(N2CCCC2)cc1 7383463 FPEHZXMTFUIJSK-UHFFFAOYSA-N 218.300 2.037 0 40 BEAB CC(C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12118572 CHWXREKXXBWKGQ-MRVPVSSYSA-N 248.282 2.001 0 40 BEAB Clc1cccc(O[C@@H]2CCCNC2)c1 12359728 NWSVPHFHSAJMEZ-LLVKDONJSA-N 211.692 2.471 0 40 BEAB CC[C@H](C)C(=O)NCc1ccc(C(=O)O)cc1 19396564 HFQQXURPZWKEPF-VIFPVBQESA-N 235.283 2.047 0 40 BEAB CCNC(=O)Nc1ncc(-c2cccnc2)s1 19529369 QIYDMEWOLFOXHP-UHFFFAOYSA-N 248.311 2.347 0 40 BEAB Nc1cccc(-c2nc(-c3ccncc3)no2)c1 19771944 DOXWWZNQWSDGDM-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)Cc2cccc(N)c2)C1 20155038 MRPMDDJLSOHFFY-RYUDHWBXSA-N 246.354 2.316 0 40 BEAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCCO2)o1 27852435 PGNUEFAODSLBII-HOVLTTNMSA-N 249.310 2.285 0 40 BEAB C[C@@H]1CCN[C@@H](C(=O)OCc2ccccc2)C1 34017461 MEVXXXMYNKWKDQ-DGCLKSJQSA-N 233.311 2.118 0 40 BEAB COC(=O)[C@@]1(C)CCCc2ccccc21 34172408 WPQDZEYPGYMDAI-ZDUSSCGKSA-N 204.269 2.454 0 40 BEAB in-vitro CCOC(=O)C[C@@H]1CCc2cc(O)ccc21 35259720 KCIMHLFQVFKWQS-JTQLQIEISA-N 220.268 2.375 0 40 BEAB CC(C)[C@H](NCC1CCCCC1)C(=O)O 35391147 UIZOFHYSVUAIKV-NSHDSACASA-N 213.321 2.266 0 40 BEAB C=CC(=O)N[C@H](C)c1ccc(F)cc1F 37003408 WEZGVIRSOOAGLF-SSDOTTSWSA-N 211.211 2.328 0 40 BEAB CC1(C)COC2(C[C@@H]3CC(=O)C[C@H]3C2)OC1 39434335 DPGJBUWFVDJWGF-UWVGGRQHSA-N 224.300 2.145 0 40 BEAB Cc1cc(C(=O)N(C)Cc2ccsc2)on1 40464706 RFLSJADZZMCFAN-UHFFFAOYSA-N 236.296 2.317 0 40 BEAB C[C@H]1CCC[C@H](N(C)C(=O)c2ccc[nH]c2=O)C1 40499064 GSOWPRNKBVCIAJ-QWRGUYRKSA-N 248.326 2.026 0 40 BEAB Cc1cc(C(=O)NC2CCCC2)c(C)[nH]1 40510368 ZFSUFUCYPQDCKH-UHFFFAOYSA-N 206.289 2.304 0 40 BEAB CSCC(=O)N[C@@H](C)c1cccs1 43545123 GOUSDQDHAXUCAE-ZETCQYMHSA-N 215.343 2.288 0 40 BEAB O=C(O)c1ccc(NCCc2ccncc2)cc1 50913162 OQPSADIBIBJPAP-UHFFFAOYSA-N 242.278 2.434 0 40 BEAB CCC(=O)Nc1ccnn1Cc1ccc(C)o1 60441138 YNBGARYRKQCGDY-UHFFFAOYSA-N 233.271 2.181 0 40 BEAB c1cncc(CN2CCC([C@@H]3CCCN3)CC2)c1 63197791 SJMBBIZZQRMMKC-HNNXBMFYSA-N 245.370 2.046 0 40 BEAB CC(C)c1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1 69272482 STLUYUGBFMPPSI-STQMWFEESA-N 233.311 2.198 0 40 BEAB CCCNC(=O)CSC1CCCC1 69322141 GETNZZZZBUKXBA-UHFFFAOYSA-N 201.335 2.188 0 40 BEAB Cc1cn(Cc2ccc(Cl)cc2)nc1N 69606283 ZLAUQWCXTIYAKB-UHFFFAOYSA-N 221.691 2.475 0 40 BEAB CNc1ccc([C@@H]2CCCCN2)c(C)n1 72219112 KPQMUSMIGUCFTA-NSHDSACASA-N 205.305 2.246 0 40 BEAB COc1ccc(N(C)C(=O)C2CC2)cc1 81561772 ZPMQPIMAZYOMMY-UHFFFAOYSA-N 205.257 2.068 0 40 BEAB COc1ccccc1NC(=O)NOCC(C)C 84544445 ISSBIQKPBRXUPU-UHFFFAOYSA-N 238.287 2.404 0 40 BEAB Cn1cncc1CNc1c(F)cccc1F 85168003 PFNJOXFYHMHADM-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB COC(=O)[C@H]1O[C@]1(C)c1ccccc1Cl 85657576 JOIFRFLAWONKLV-MWLCHTKSSA-N 226.659 2.127 0 40 BEAB Brc1cnc2ncsc2c1 89229285 VQWHWLWLUBJOJW-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB Cc1cc(N[C@H](C)CO)nc2ccccc12 89600774 RUJXIYLYASMXCR-SNVBAGLBSA-N 216.284 2.336 0 40 BEAB C[C@H](O)[C@H]1CCCN(CCc2ccccc2)C1 89927849 NSYYHZYMLTXWKM-ZFWWWQNUSA-N 233.355 2.322 0 40 BEAB C[C@H](NC[C@H]1CCCNC1)c1ccc(F)cc1 95147660 QOLAVFJYNHHXEP-RYUDHWBXSA-N 236.334 2.476 0 40 BEAB CNC(=O)c1sc(C2CCCC2)nc1C 95364769 UITDKBOHRXWUHR-UHFFFAOYSA-N 224.329 2.469 0 40 BEAB N[C@H](c1ccc(Cl)nc1)C(F)(F)F 95641823 GPBZCFDSOKVWFP-ZCFIWIBFSA-N 210.586 2.297 0 40 BEAB O=C(O)Cc1cc(C(F)(F)F)ccc1C(=O)O 95775349 AGFBOMFRBHFAFJ-UHFFFAOYSA-N 248.156 2.031 0 40 BEAB CC(C)c1nc(NCc2cscn2)n(C)n1 97094797 JYRPPUJKQLXTEZ-UHFFFAOYSA-N 237.332 2.007 0 40 BEAB Cc1nccn1CCCNC[C@@H]1C[C@@H]2C=C[C@@H]1C2 195537157 BKLYYGDFUQLEKM-KFWWJZLASA-N 245.370 2.383 0 40 BEAB Cc1cc(Cc2c[nH]c3ccccc23)c(=O)[nH]n1 199772988 JYGJGSGNUWMJRY-UHFFFAOYSA-N 239.278 2.150 0 40 BEAB O=C(O)c1cc2ccc(Cl)cc2oc1=O 206627265 ATWKNGBPIMPABJ-UHFFFAOYSA-N 224.599 2.145 0 40 BEAB CCn1cnc2c(C(F)F)nc(Cl)nc21 217640283 ACFGTOZSALCKOZ-UHFFFAOYSA-N 232.621 2.437 0 40 BEAB CN1CCC[C@H](c2cccc3nccn23)C1 257326720 WYHSVWHQSPTQPP-NSHDSACASA-N 215.300 2.144 0 40 BEAB COc1ccc(-c2ncn(C)n2)cc1Cl 2362801919 YFENENVEBDKSNM-UHFFFAOYSA-N 223.663 2.144 0 40 BEAB Cc1onc(-c2ccccc2Cl)c1C(N)=O 137347 OZFANALXKZFARG-UHFFFAOYSA-N 236.658 2.402 0 40 BEAB Cc1occc(=O)c1OC(=O)c1ccccc1F 1098173 JAKOBEXKEFQSDA-UHFFFAOYSA-N 248.209 2.307 0 40 BEAB CNC(=O)Oc1c(C(=O)O)ccc2ccccc12 1686310 LORITPXNOJUAQI-UHFFFAOYSA-N 245.234 2.256 0 40 BEAB C[C@]1(CSc2ccccc2)CC(=O)N1 1871723 HWNBODVECSTPNY-LLVKDONJSA-N 207.298 2.057 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 5559998 VVBRWFBHPKUVOI-KWQFWETISA-N 205.257 2.290 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=S)NC1CC1 6330468 ANMZJIXUPYVJMT-PSASIEDQSA-N 212.362 2.192 0 40 BEAB CNCC1(c2cccs2)CCOCC1 12370712 DBLNZQVTWSJQDY-UHFFFAOYSA-N 211.330 2.016 0 40 BEAB in-vitro COC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 12894020 BDZXERTZRHEVKQ-UHFFFAOYSA-N 235.283 2.265 0 40 BEAB COc1cc2ccc(C(=O)O)nc2cc1F 13831342 DSVBEMBCERDWSQ-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB Nc1cc(F)ccc1OCCN1CCCCC1 14629858 JIBROCBMTQIAKT-UHFFFAOYSA-N 238.306 2.273 0 40 BEAB O=C(Nc1cccc(Cl)c1)C1CCNCC1 19409386 DOXSTJMBRRXDDV-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB O=C(NC1CCCCCCC1)C1CCNCC1 19410916 VQSHNTRSQZMDCT-UHFFFAOYSA-N 238.375 2.215 0 40 BEAB C[C@@H]1CCCCN1c1ncccc1C(=O)O 19844578 DVTJGKUPQDZSGT-SECBINFHSA-N 220.272 2.159 0 40 BEAB COCCN[C@@H](C)c1cc(F)ccc1F 19881662 BNEDYDPYDDRZFF-QMMMGPOBSA-N 215.243 2.262 0 40 BEAB Nc1ccccc1CC(=O)NC1CCCCC1 20155716 HQVOMGMICGGNKW-UHFFFAOYSA-N 232.327 2.260 0 40 BEAB O=C(O)c1ccc(OCC(F)F)cc1 20348860 JPXVLMHHANYKKW-UHFFFAOYSA-N 202.156 2.029 0 40 BEAB in-vitro Nc1ccc(OCc2ccncc2)c(F)c1 20352214 OZJMUNLTHBORMB-UHFFFAOYSA-N 218.231 2.382 0 40 BEAB COc1ccc(F)cc1C(=O)CCCC(=O)O 20470416 PXRBYPXKWQJDGD-UHFFFAOYSA-N 240.230 2.272 0 40 BEAB Cc1ccc(Cn2cccc2CN)cc1 21782417 OKFBBARXYIYEOW-UHFFFAOYSA-N 200.285 2.304 0 40 BEAB CCSCN1CCN(CSCC)[C@H](C)C1 22586903 LQOFYFNFLYNRLK-LLVKDONJSA-N 248.461 2.414 0 40 BEAB Cc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 24014585 MPYHNMVMBBWECH-NSHDSACASA-N 234.299 2.248 0 40 BEAB CCCCC(=O)Nc1ccc(NC(N)=O)cc1 25881527 ZLXQLQMYSLMTPB-UHFFFAOYSA-N 235.287 2.306 0 40 BEAB O=Cc1coc2c(Cl)cccc2c1=O 33495160 QSKXZKLGRXOECB-UHFFFAOYSA-N 208.600 2.259 0 40 BEAB in-vitro Cc1cc2c(cc1Br)CNCC2 39110947 GLMATKSWEICTPR-UHFFFAOYSA-N 226.117 2.403 0 40 BEAB Cc1ccc(C(=O)N2CCSCC2)cc1F 40542092 WZJGGSCBGWHWJZ-UHFFFAOYSA-N 239.315 2.323 0 40 BEAB Clc1ccccc1OC[C@H]1CCCN1 43496850 UEVSIPVDOOIGLY-SECBINFHSA-N 211.692 2.471 0 40 BEAB C[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 43999569 OBZSMPALSFDFJB-VIFPVBQESA-N 221.304 2.179 0 40 BEAB CCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466548 ZRMONEDUYHHAAX-YPMHNXCESA-N 247.294 2.071 0 40 BEAB CC(C)[C@H](C)NC(=O)COc1ccccc1 49535420 LLQQCEKCHIGHGI-NSHDSACASA-N 221.300 2.226 0 40 BEAB COC(=O)[C@H](O)c1cccc(Cl)c1Cl 50974317 PWIYXISMBHIJAU-MRVPVSSYSA-N 235.066 2.200 0 40 BEAB in-vitro COCCN(C)Cc1nc2ccccc2s1 53402556 JOWZBICFIJMKSQ-UHFFFAOYSA-N 236.340 2.375 0 40 BEAB COCCN(CC(C)C)C(=O)c1ccoc1 65517457 HJVCJAIQZSTDEO-UHFFFAOYSA-N 225.288 2.024 0 40 BEAB C[C@@H](c1ccccc1)N1CC[C@@H](CO)C1 66348656 RQTYGPRJDFTUGU-NWDGAFQWSA-N 205.301 2.062 0 40 BEAB c1cnc2c(C[C@@H]3CCNC3)cccc2c1 70627838 DGKSINURLRRTQL-NSHDSACASA-N 212.296 2.387 0 40 BEAB Cc1nc(S)ccc1[C@@H]1CCCN1C 72218365 SQHFUSWYIIBCTA-JTQLQIEISA-N 208.330 2.445 0 40 BEAB CCOc1ccc(OCC)c(CC(=O)OC)c1 82724189 ZOWAVYXRUKSVHL-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB CSc1oc(C(=O)O)cc1Br 85395552 YJEMGJSZAYQWID-UHFFFAOYSA-N 237.074 2.462 0 40 BEAB O[C@@H]1CCC[C@H]1CNc1cnc2ccccc2n1 89167357 QBPBPYDTDATWNA-GXFFZTMASA-N 243.310 2.203 0 40 BEAB Cc1cccn(CCN(C)c2ccccc2)c1=O 89700357 FSGQRQVOKVNITI-UHFFFAOYSA-N 242.322 2.293 0 40 BEAB COc1ccc(CC(=O)O)cc1OC(C)C 96024932 VVFFPBRYRUBHHX-UHFFFAOYSA-N 224.256 2.110 0 40 BEAB CCOC1CC(C(=O)O)(c2ccccc2)C1 96509101 ZBSUWMYQWZONRC-UHFFFAOYSA-N 220.268 2.208 0 40 BEAB CCCN(CCC)C(=O)NCCCOCC 96996427 LJTIFHBWULLUFW-UHFFFAOYSA-N 230.352 2.245 0 40 BEAB CC[C@H]1CN(Cc2ccncc2)CCS1 98015875 RXIUVBWRBOXVNB-LBPRGKRZSA-N 222.357 2.409 0 40 BEAB COc1ccc([C@H]2C=C(C)Nc3ncnn32)cc1 100730927 BVJUIDZVIIIWNO-GFCCVEGCSA-N 242.282 2.205 0 40 BEAB COc1ccc2nccc(NCCCN)c2c1 212770601 RJZOTUAURIVFGQ-UHFFFAOYSA-N 231.299 2.004 0 40 BEAB C[C@@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C[C@H]1O 242687733 UTINLICILIBKRJ-KBVBSXBZSA-N 229.320 2.061 0 40 BEAB Cc1cccnc1OCc1ccncc1 585654595 JKHOCIIFQZFBNU-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB CCOC(=O)c1c(CN)c(C)n(C2CC2)c1C 161946 RZBPGFYMRLTVFT-UHFFFAOYSA-N 236.315 2.075 0 40 BEAB O[C@H]1/C(=C\c2ccc(F)cc2)N2CCC1CC2 480593 HSEHKBPZCDLUHZ-KADHNRKRSA-N 233.286 2.253 0 40 BEAB O=C(NCCC1=CCCCC1)c1ccc(=O)oc1 528497 IEEHZEAGMMCYHS-UHFFFAOYSA-N 247.294 2.260 0 40 BEAB O=C(OCCN1CCCCC1)c1cccs1 808178 NZMLPEYCYFDVCF-UHFFFAOYSA-N 239.340 2.391 0 40 BEAB CC(=O)NC(=S)Nc1ccccc1Cl 1480405 ZXPBYEMJLABZFO-UHFFFAOYSA-N 228.704 2.173 0 40 BEAB CC1(C)Cc2c(oc3ncnc(N)c23)CS1 1630919 IUZVEGWNJWSLRB-UHFFFAOYSA-N 235.312 2.373 0 40 BEAB Brc1n[nH]c2nc3ccccc3nc12 3852654 BMRFASPWLHORNE-UHFFFAOYSA-N 249.071 2.269 0 40 BEAB C=CCc1cc(C(=O)O)cc(OCC)c1O 7604060 SKEDSUSJVGOSDZ-UHFFFAOYSA-N 222.240 2.218 0 40 BEAB C/C(=C/C(=O)O)C(=O)Nc1ccc(Cl)cc1 8766917 VPRXFPRQOVSPAO-SREVYHEPSA-N 239.658 2.309 0 40 BEAB Cc1ccc(-c2nnc([C@@H](C)N)o2)cc1 11586090 AQKMPBWENKHDTO-MRVPVSSYSA-N 203.245 2.065 0 40 BEAB CN(C(=O)C1CC1)c1nc2ccccc2o1 12908884 KBVYTFFVMGJYML-UHFFFAOYSA-N 216.240 2.201 0 40 BEAB CNCc1ccccc1OC(F)(F)F 12926561 VAWOGSOUTCITNL-UHFFFAOYSA-N 205.179 2.305 0 40 BEAB in-vitro Cc1cc(N)c(NC(=O)C(C)C)cc1C 20157511 JFZFASBDBRJJFP-UHFFFAOYSA-N 206.289 2.480 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cccc(N)c2)C1 20193151 QVNYGFFOAHVHHC-SNVBAGLBSA-N 218.300 2.141 0 40 BEAB N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 20285977 IFQRFSKEHYUZAT-ZNMIVQPWSA-N 230.355 2.246 0 40 BEAB Nc1cnccc1C(=O)Nc1ccc(F)cc1 22073251 VUCUUHAZKJVQDY-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCN(C(=O)c1cnn(C)c1)c1ccccc1C 32753807 CFCJHEPMDIXVCL-UHFFFAOYSA-N 243.310 2.395 0 40 BEAB C=CC(=O)Nc1cccc(-c2cnco2)c1 37790263 UEFQFJJKDVQPEJ-UHFFFAOYSA-N 214.224 2.466 0 40 BEAB Cc1ccccc1[C@H](CN)N1CCCC1 38638680 YNHQWQAKKVJUNM-ZDUSSCGKSA-N 204.317 2.091 0 40 BEAB CCN(CC)[C@H](C)[C@H](O)c1ccccc1 39188972 JMFCQRKXGIHOAN-YPMHNXCESA-N 207.317 2.450 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1 40457427 SSVHQJDZKYMPPD-BXKDBHETSA-N 221.275 2.140 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1 58393760 WHYVVYQRRWBCCY-GXFFZTMASA-N 230.311 2.229 0 40 BEAB CCOc1ccc2cc(C(=O)O)n(C)c2c1 59730794 LTAMZVHOPHDCQN-UHFFFAOYSA-N 219.240 2.275 0 40 BEAB Nc1ncccc1CSC1CCOCC1 62056662 LQZTUGZPFWLZDB-UHFFFAOYSA-N 224.329 2.076 0 40 BEAB N[C@@]1(C(=O)O)C[C@@H]1c1ccc(Cl)c(Cl)c1 62712939 CEPAFJXWXPXGOY-LDWIPMOCSA-N 246.093 2.263 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C(C)(C)C 72208911 VUWSUDMNWJUZAL-BDAKNGLRSA-N 230.352 2.273 0 40 BEAB CCC(C)(C)NC(=O)Nc1cc(C)on1 72318881 WFMDSMBIVXWFNX-UHFFFAOYSA-N 211.265 2.293 0 40 BEAB COc1cc(Br)c2c(c1)NCCO2 72319839 VZZDNGDAYDBDAE-UHFFFAOYSA-N 244.088 2.262 0 40 BEAB CN1CCC[C@@H]1c1nccnc1-c1cccnc1 72386810 GDRXEGFFTQQORY-GFCCVEGCSA-N 240.310 2.305 0 40 BEAB Cc1cc(NC(=O)NC(C)(C)CO)ccc1F 75109193 FYMOWHHGQFXUIG-UHFFFAOYSA-N 240.278 2.027 0 40 BEAB O=C1NCC[C@H]1Cc1ccc(C(F)(F)F)cc1 75172890 KRSOZISQAWZHPG-VIFPVBQESA-N 243.228 2.384 0 40 BEAB C[C@H](C(=O)N[C@H]1CC=CCC1)C(F)(F)F 80382520 LAIBLDWERGDKBW-SFYZADRCSA-N 221.222 2.410 0 40 BEAB NC[C@H](NCc1ccccc1)c1ccco1 83764335 LWDALBLPFPHENJ-LBPRGKRZSA-N 216.284 2.069 0 40 BEAB in-vitro COC(=O)C1(Oc2cc(C)cc(C)c2)CC1 85393152 CXSYBELUHPRJPS-UHFFFAOYSA-N 220.268 2.388 0 40 BEAB C[C@H](COC(F)(F)F)NC(=O)OC(C)(C)C 96308353 DEPPUDRHUVAZQW-ZCFIWIBFSA-N 243.225 2.436 0 40 BEAB in-vitro COCCNC(=O)N1CC[C@H](C)c2ccccc21 96998316 OUWPEUKGJLIYCM-NSHDSACASA-N 248.326 2.356 0 40 BEAB CC[C@H](NCC1OCCO1)c1cccs1 97110492 MTQCIPYNPKJRCN-VIFPVBQESA-N 227.329 2.162 0 40 BEAB CC(C)(C)OC(=O)/C=C(/O)C(=O)OC(C)(C)C 101660152 GCEVOJBGWYSVDX-BQYQJAHWSA-N 244.287 2.112 0 40 BEAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(C)=O)(C3)C2 108424471 DBYLPWRGOWUBGW-IWMBGFJWSA-N 235.327 2.051 0 40 BEAB CC(C)O[C@@H](Cc1ccccc1)C(=O)O 136273105 DWMNSDZTKBJXFA-NSHDSACASA-N 208.257 2.107 0 40 BEAB FC(F)COCCn1cnc2ccccc21 189154761 BHXMVOUWGSHCFF-UHFFFAOYSA-N 226.226 2.318 0 40 BEAB Cn1nc2c(c1NC(=O)c1ccco1)CCCC2 223810508 XXPCPURDPYQEHU-UHFFFAOYSA-N 245.282 2.144 0 40 BEAB Cc1ccc(CCC(=O)N(C)C)cc1C 224238624 CMVVYNNCBJWEMT-UHFFFAOYSA-N 205.301 2.324 0 40 BEAB Cc1cnc(Br)c(Cl)n1 238495660 GITYNTCJEZVXBP-UHFFFAOYSA-N 207.458 2.201 0 40 BEAB CN(CC1CC1)[C@@H]1CCCN(c2ccccn2)C1 257225630 FHBWFWJZDLFLIS-CQSZACIVSA-N 245.370 2.392 0 40 BEAB Cc1ccc(N[C@@H]2C=CS(=O)(=O)[C@H]2C)cc1 575419519 BLZAVRNYUJVOKP-CMPLNLGQSA-N 237.324 2.106 0 40 BEAB CCNC(=O)NCc1ccc(-c2ccco2)o1 575611831 XZCRZCPRQWCWRT-UHFFFAOYSA-N 234.255 2.359 0 40 BEAB CN1CCCC[C@H]1COc1nccs1 585651789 QHJLJOKAKXJFKE-VIFPVBQESA-N 212.318 2.006 0 40 BEAB O=C1CCCc2sc(NC(=O)C3CC3)nc21 1519123312 TXGNKJBJHWWIKF-UHFFFAOYSA-N 236.296 2.011 0 40 BEAB C[C@@H]1[C@@H](c2ccccc2)N(C)CC[C@H]1O 270728 VPGJNXCGHFUNEJ-UHTWSYAYSA-N 205.301 2.060 0 40 BEAB CN(c1cccc2ccccc12)[N+](=O)[O-] 348044 RXTJPFOQHOSJOT-UHFFFAOYSA-N 202.213 2.468 0 40 BEAB CCCCOn1nnc2cc(Cl)ccc21 1566392 YJUPZGZVGPFZEC-UHFFFAOYSA-N 225.679 2.313 0 40 BEAB CC(=O)NCCCCCCN1CCCCC1 1646510 LJLDWLPCNBUWJD-UHFFFAOYSA-N 226.364 2.169 0 40 BEAB CNC(=O)Nc1ccc(OC)cc1Cl 1738724 VPSKVAOQZPTJCT-UHFFFAOYSA-N 214.652 2.100 0 40 BEAB COCNC(=O)Nc1ccc(Cl)cc1 3176908 NJPPSDVWQSJTRC-UHFFFAOYSA-N 214.652 2.065 0 40 BEAB CN(c1ncnc2[nH]cnc12)C1CCCCC1 4225170 OZPJIMVEOOWKCR-UHFFFAOYSA-N 231.303 2.122 0 40 BEAB CCn1/c(=N/C(C)=O)sc2cc(C)ccc21 6356819 NKDIFCIOEWNOLQ-SEYXRHQNSA-N 234.324 2.478 0 40 BEAB C[C@H](CNC(=S)NC1CC1)c1ccccc1 7621165 SICAEYXBKBWVDK-SNVBAGLBSA-N 234.368 2.417 0 40 BEAB Cn1ccnc1[C@@H](N)c1cccc(Cl)c1 11735199 JEEXKQBWDDVXNT-JTQLQIEISA-N 221.691 2.122 0 40 BEAB CC1=NNC(=O)O[C@]1(C)CCc1ccccc1 12416851 XQPUETWVLCRNFJ-CYBMUJFWSA-N 232.283 2.494 0 40 BEAB CN(Cc1ccccc1F)C(=O)c1cccnc1 12984578 BNJDRFFVXHLQFV-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB Cc1ccc(O[C@@H]2CCCNC2)c(C)c1 14631650 IBRHPKNLJPWLKO-GFCCVEGCSA-N 205.301 2.434 0 40 BEAB in-vitro Cc1cc(C)cc(O[C@@H]2CCCNC2)c1 14631708 PHHJEWDGFQSIJW-GFCCVEGCSA-N 205.301 2.434 0 40 BEAB CCS[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 16899591 PWWQZWAMEDGZJH-NSHDSACASA-N 249.335 2.380 0 40 BEAB CC(C)c1nnc2c(O)nc3ccccc3n12 21730068 UUWQDGFVFLAKGF-UHFFFAOYSA-N 228.255 2.107 0 40 BEAB Cc1cccc(C(=O)N2CCCCC2)c1N 22212088 MOSUXWIVAUGGQG-UHFFFAOYSA-N 218.300 2.203 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccco2)c1 32768538 NYZBJWWWRUVDNN-UHFFFAOYSA-N 246.266 2.083 0 40 BEAB O[C@@H](C[C@@H](O)C(F)(F)F)c1ccccc1 33805445 XWWKWKRVRQENAP-DTWKUNHWSA-N 220.190 2.033 0 40 BEAB Cc1n[nH]cc1CNc1ncnc2ccccc12 38011940 LQPSYXSQLXGGCA-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB N[C@H]1CCCN(Cc2cccc(Cl)c2)C1 38539619 AEUIQDMQUUXQBB-LBPRGKRZSA-N 224.735 2.263 0 40 BEAB C/C=C/CN1CCN(c2ccccc2OC)CC1 40017877 ZLXKOHOCHGNMDQ-ONEGZZNKSA-N 246.354 2.393 0 40 BEAB C[C@H]1CN(Cc2cccc(F)c2)CCO1 40479426 SURLLSFQMZLPCF-JTQLQIEISA-N 209.264 2.046 0 40 BEAB CCCc1ccc(O[C@@H]2CCNC2)c(OC)c1 42782940 TXKGFPJVZDQMNH-GFCCVEGCSA-N 235.327 2.388 0 40 BEAB in-vitro O[C@]12CCCC[C@@H]1[C@H](c1ccncc1)NCC2 43157564 PJUBTLCOZIRUIS-RDBSUJKOSA-N 232.327 2.037 0 40 BEAB Clc1ncnc2c1oc1ncccc12 43828383 UFTANKSBYMFUPC-UHFFFAOYSA-N 205.604 2.424 0 40 BEAB CC(C)Oc1ccc(-c2nnc(N)o2)cc1 43830189 KNQKWCGXFNREML-UHFFFAOYSA-N 219.244 2.106 0 40 BEAB COc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)c1 43879008 BBGASWPBIIQSLG-NWDGAFQWSA-N 248.278 2.379 0 40 BEAB CN(Cc1ccncc1)C(=O)C[C@@H]1C=CCC1 46044981 ZFCDCQOUSCEXNB-GFCCVEGCSA-N 230.311 2.396 0 40 BEAB CC(C)n1cnnc1-c1ccccc1N 54498225 YREZVBXQYYNGEB-UHFFFAOYSA-N 202.261 2.108 0 40 BEAB in-vitro CC[C@H](C)C(=O)NCCCn1nc(C)cc1C 55312432 KKWAUGGIMNWORT-JTQLQIEISA-N 237.347 2.052 0 40 BEAB CCC(CC)NC(=O)[C@H]1Cc2ccccc2O1 57563250 LQMNDCKTHVSBKD-CYBMUJFWSA-N 233.311 2.295 0 40 BEAB CCn1cc(C(=O)C(Cl)(Cl)Cl)cn1 66324303 QDIXKHGSELEOPB-UHFFFAOYSA-N 241.505 2.456 0 40 BEAB CSCCC(=O)N[C@H](C)c1ccccn1 70704676 BVYALQRPVWVMQF-SECBINFHSA-N 224.329 2.012 0 40 BEAB c1ccc([C@@H]2C[C@@H]2CN2CCCNCC2)cc1 71477097 KJWVAYDVQDFQKH-CABCVRRESA-N 230.355 2.085 0 40 BEAB c1ccc([C@@H]2CCCN(c3ccncn3)C2)nc1 72357368 QKEFZRCSPBLROJ-GFCCVEGCSA-N 240.310 2.256 0 40 BEAB COc1cccc(-c2cc[nH]c2C(=O)O)c1 74112011 PJEANTCVCJVOGX-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB CC(C)[C@H]1CNC[C@@H](c2ccccc2)O1 78277764 XTSXOHLCHHNDOT-OLZOCXBDSA-N 205.301 2.372 0 40 BEAB Nc1cccnc1Nc1ccc(C(=O)O)cc1 82295928 IGXTZVHETVIUFQ-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB Cc1[nH]c2ccccc2c1-c1noc(CCN)n1 82550393 KLGOWBUZLVZRHW-UHFFFAOYSA-N 242.282 2.028 0 40 BEAB c1ccc2c([C@@H]3CCCNC3)n[nH]c2c1 82913031 CODSMCOUHVHHQD-SECBINFHSA-N 201.273 2.030 0 40 BEAB N=C(N)c1cc(Cl)ccc1Br 84194148 QENCBYSHQHHSSU-UHFFFAOYSA-N 233.496 2.387 0 40 BEAB CCCOc1cccc(NC(N)=S)c1 85389792 HTEYKLWZMSFDAX-UHFFFAOYSA-N 210.302 2.131 0 40 BEAB CC(C)(C)ONC(=O)CCCc1ccccn1 89694323 HKXXEGPYSRWRDH-UHFFFAOYSA-N 236.315 2.251 0 40 BEAB COc1ccccc1-c1nc(C=O)co1 90555241 YDZAELHQPLOVMO-UHFFFAOYSA-N 203.197 2.163 0 40 BEAB CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1 91696037 DVKDDCAIRBMOGF-UHFFFAOYSA-N 244.294 2.417 0 40 BEAB Oc1c(Br)nnc2ccc(F)cc12 95097409 QHTHQDSASVQTEA-UHFFFAOYSA-N 243.035 2.237 0 40 BEAB CCC(CC)CNCC1CCC(C(N)=O)CC1 95434087 OYQIBVNRWWAOHY-UHFFFAOYSA-N 240.391 2.304 0 40 BEAB CC1CCC(CNC[C@]2(O)CCSC2)CC1 95449345 XUOWUNOLJFUJQY-WXRRBKDZSA-N 243.416 2.270 0 40 BEAB CC[C@@H](O)[C@@H](N)c1ccc(OC(C)C)cc1 95822192 PIWPESPTVQKIEY-OLZOCXBDSA-N 223.316 2.245 0 40 BEAB Cc1cc2c(cc(C(=O)O)n2C[C@@H]2CCCO2)o1 96516217 DFAHEQODECXSDL-VIFPVBQESA-N 249.266 2.420 0 40 BEAB CCCCn1cc(Br)c(C=O)n1 96528857 DAARSIDFPMRJFS-UHFFFAOYSA-N 231.093 2.258 0 40 BEAB CN[C@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 97165794 HEGQPHRJUUZQNJ-ZFWWWQNUSA-N 232.371 2.159 0 40 BEAB CNc1coc(-c2ccc3c(c2)OCO3)n1 100376225 RPPBCVIGVUCBCB-UHFFFAOYSA-N 218.212 2.112 0 40 BEAB Cc1ccc(S(=O)(=O)[C@@H]2C3C[C@H]4C2[C@@H]4C3)cc1 104105765 WZMYWJSCBABHMM-SWZCJYPISA-N 248.347 2.423 0 40 BEAB N[C@H]1CCc2cccc(Br)c21 107213917 AKVBYYMULNIGLH-QMMMGPOBSA-N 212.090 2.395 0 40 BEAB O=C(O)c1ccc(F)c(OCC2CC2)c1 114340742 UWWUZYZNDNTSDV-UHFFFAOYSA-N 210.204 2.313 0 40 BEAB CCN(CC)c1ccc(C(=O)NC2CC2)cc1N 225436177 GHYPPWPPCWUCFO-UHFFFAOYSA-N 247.342 2.007 0 40 BEAB C[C@@H]1CCCN(c2nsc(Cl)n2)C1 225782656 ACYOSYPTRSFXIC-ZCFIWIBFSA-N 217.725 2.428 0 40 BEAB Cc1nn(C(C)C)cc1NCc1ccnn1C 256050902 GXWLKMFVUBUFTD-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB O=C(N[C@H]1CCC12CCOCC2)c1ccccc1 585409560 PIEGJQODHMQKFU-ZDUSSCGKSA-N 245.322 2.376 0 40 BEAB O=C(O)[C@H]1CCCC[C@@H]1OC(F)(F)F 953109293 XOGSAPASFNJFLA-WDSKDSINSA-N 212.167 2.166 0 40 BEAB CC(=O)N1CCC(C(=O)c2ccccc2)CC1 110090 RQVMJPJBWMFWFT-UHFFFAOYSA-N 231.295 2.128 0 40 BEAB in-vitro CCCc1nnc(NC(=O)CC(C)C)s1 322869 YEOMJRWSQAPNFU-UHFFFAOYSA-N 227.333 2.475 0 40 BEAB Oc1n[nH]c2c1SCc1ccccc1-2 338756 BFCDYINZMSUEHZ-UHFFFAOYSA-N 204.254 2.388 0 40 BEAB C[C@@H]1CC[C@]2(O)C(=O)CC[C@H]3[C@@H]([C@H]12)C3(C)C 4104700 BEQYXBYLUJTQJC-NOYZYQNRSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CCOC(=O)NC(=S)Nc1cccs1 5829990 PIHPCNNYUWMVOY-UHFFFAOYSA-N 230.314 2.191 0 40 BEAB CCOCC(=O)N[C@H](C)CCc1ccccc1 6758526 YFCYHEUJZAFKNV-GFCCVEGCSA-N 235.327 2.160 0 40 BEAB CC(=O)Nc1cccc(C(=O)NCC(C)C)c1 9366404 GFOXCTXQBKRXBF-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB Cc1ccc(C(=O)NCc2ccncc2)cc1F 12536751 HLDATVJVNDAGEQ-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB COc1ccc(C2CCNCC2)c(OC)c1 14629028 UUKARKUXRDKERZ-UHFFFAOYSA-N 221.300 2.171 0 40 BEAB CCOc1ccc([C@H](C(=O)O)N2CCCC2)cc1 16851993 QIPNKIFHXVWIFF-CYBMUJFWSA-N 249.310 2.307 0 40 BEAB O=Cc1cccn1Cc1ccccc1C(=O)O 20447593 JYRYNVVDZYJENY-UHFFFAOYSA-N 229.235 2.047 0 40 BEAB Cc1ccsc1C(=O)N[C@@H](C)Cn1cccn1 31391310 DXPSXTHPUFUULI-JTQLQIEISA-N 249.339 2.072 0 40 BEAB COC(=O)c1cccc2cc(N)ccc12 31777157 GILYDTHCTQTDBA-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB O=C1CCC2(CC1)C(=O)Nc1ccccc12 32937872 GOXZXAUUGKHBRE-UHFFFAOYSA-N 215.252 2.020 0 40 BEAB in-vitro CC[C@@H](CO)NCc1ccc(F)cc1Cl 35116565 WNZCJEXTPXNYJR-JTQLQIEISA-N 231.698 2.340 0 40 BEAB C/C=C/C=C/C(=O)NCc1cccs1 36396964 VHAZZHCLBMAKEY-AOGGBPEJSA-N 207.298 2.497 0 40 BEAB CC(C)[C@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810207 SNFUJVJQOTZTSH-BFHYXJOUSA-N 224.392 2.482 0 40 BEAB Cc1nc(C(F)(F)F)sc1C(=O)O 40435271 DMKDYSIOZORCEB-UHFFFAOYSA-N 211.164 2.169 0 40 BEAB in-vitro Cc1n[nH]c(C)c1NC(=O)Nc1cccnc1 48683054 ANEMXEUFMKRQQX-UHFFFAOYSA-N 231.259 2.066 0 40 BEAB O=C(COCC(F)(F)F)Nc1ccccc1 60500736 NZXQKHCHRJMLGV-UHFFFAOYSA-N 233.189 2.204 0 40 BEAB C[C@H](NCc1ccccn1)[C@@H](C)n1cccn1 69349731 MDHZUNCTCSGVSG-NWDGAFQWSA-N 230.315 2.017 0 40 BEAB C[C@@](CN)(c1cccs1)N1CCCC1 70453215 MFDGROLEJWSDAG-LLVKDONJSA-N 210.346 2.018 0 40 BEAB CCCN1CCC[C@H]1c1ccc(O)nc1 72212258 BNOMTBWRTXVTRI-NSHDSACASA-N 206.289 2.334 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1 72218903 MKEQLXRJMCCJEF-CYBMUJFWSA-N 231.343 2.415 0 40 BEAB CCCCOCC(=O)Nc1cccnc1C 73347991 KOCWHIYYNZUOCG-UHFFFAOYSA-N 222.288 2.145 0 40 BEAB NCCOCc1cc(Cl)ccc1Cl 83698705 BTSAWROYLDQVOR-UHFFFAOYSA-N 220.099 2.469 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1Nc1ccccc1 83985835 CQPIDJWURGPHPG-QWRGUYRKSA-N 205.257 2.352 0 40 BEAB Cc1cc(Br)cc(CC(=O)O)c1 84506922 CLTIMCXGBQJJIQ-UHFFFAOYSA-N 229.073 2.385 0 40 BEAB O=c1cc(Cn2ccnc2)c2ccc(F)cc2o1 85399433 ANPABESMGCBMRF-UHFFFAOYSA-N 244.225 2.177 0 40 BEAB Clc1ccc(CN[C@H]2CCCNC2)cc1 95067828 GJTBBSQMEDUCHK-LBPRGKRZSA-N 224.735 2.182 0 40 BEAB CC[C@@H](C)NC(=O)CCN[C@H](C)C(C)(C)C 95421006 GMFPTUIDBJDPIO-GHMZBOCLSA-N 228.380 2.315 0 40 BEAB CC(C)(C)OC(=O)Nc1ncc(N)s1 95755894 RHEJTRYBRWWDCZ-UHFFFAOYSA-N 215.278 2.072 0 40 BEAB CCCN1C[C@@H](CN)Cc2ccccc21 96510387 UPRSUELZGIBYBT-LLVKDONJSA-N 204.317 2.034 0 40 BEAB COC(=O)c1cc(OCC(F)(F)F)cs1 96511061 BLFFQBNKPBMQKK-UHFFFAOYSA-N 240.202 2.476 0 40 BEAB Cc1ccc([C@]2(C(=O)O)CC2(F)F)cc1 96515574 WPRKRLACALEMHD-JTQLQIEISA-N 212.195 2.356 0 40 BEAB N[C@@H]1CCCN(CCCCc2ccccc2)C1 96523550 INDHTHGSTADQOH-OAHLLOKOSA-N 232.371 2.432 0 40 BEAB FC(F)Cn1ccc(N[C@@H]2CCCSC2)n1 97371019 LWNSPZIPMJWNRK-MRVPVSSYSA-N 247.314 2.456 0 40 BEAB CCC(=O)NCCCNc1cccc(F)c1 97372817 YUSQVHXSBLBZCL-UHFFFAOYSA-N 224.279 2.154 0 40 BEAB CSCCOC(=O)CC1CCCC1 98070249 UUTCKDUBQDLQNE-UHFFFAOYSA-N 202.319 2.473 0 40 BEAB O=C1CCCN(C(=O)Oc2ccccc2)CC1 98095732 OYLUXASXYAJKQB-UHFFFAOYSA-N 233.267 2.240 0 40 BEAB Fc1cc(F)c(Br)c(F)n1 98178750 SPKNJYDIRCHCHG-UHFFFAOYSA-N 211.968 2.261 0 40 BEAB COC(=O)c1ccccc1C(=O)C(F)(F)F 107778711 RCGDAKWSZGHYND-UHFFFAOYSA-N 232.157 2.218 0 40 BEAB CCOC(=O)CCc1ccc(CC)c(N)c1 199566129 PBELACPTZHYROL-UHFFFAOYSA-N 221.300 2.327 0 40 BEAB COC(=O)[C@@H]1Cc2[nH]c3ccccc3c2C1 217911973 RBOVNFIIDBCXMA-QMMMGPOBSA-N 215.252 2.056 0 40 BEAB Fc1cc(F)cc(N2CCN[C@@H]3CCC[C@H]32)c1 218848026 FOHMKEYMQWAYOY-CHWSQXEVSA-N 238.281 2.296 0 40 BEAB COc1ccc(N(C)C(=O)c2coc(C)n2)cc1 225890702 QQIMPIQDWCEQRM-UHFFFAOYSA-N 246.266 2.268 0 40 BEAB Cc1nccc(C2CN(C3CCCC3)C2)n1 257287297 PPJAWZKIDMETQY-UHFFFAOYSA-N 217.316 2.127 0 40 BEAB Cc1nccc(N2CCc3ccccc3C2)n1 266138964 QAQJAJHRYKDDIJ-UHFFFAOYSA-N 225.295 2.348 0 40 BEAB CCCOCc1ccnn1CC(F)F 408716985 UJSYFROYEWWSCH-UHFFFAOYSA-N 204.220 2.075 0 40 BEAB Cc1cc2c(O[C@@H](C)C(F)(F)F)nccn2n1 585651284 CAHYYYPWWSKOCA-ZETCQYMHSA-N 245.204 2.367 0 40 BEAB CCOc1nc2ccc(OC)cc2cc1C(=O)O 685936885 DQBZQBIZDCOBGX-UHFFFAOYSA-N 247.250 2.340 0 40 BEAB Cc1nc(Cl)c2cncn2c1Br 1857789421 VJEXYPZHDCYVLR-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB CC(C)[C@H]1COC(c2ccc(F)cn2)=N1 1988188126 WDYXEXPXLJSQFV-SNVBAGLBSA-N 208.236 2.022 0 40 BEAB Cc1cc(C(=O)N2[C@@H](C)COC[C@H]2C)c(C)o1 999810 LPMCJOCJENMJSX-DTORHVGOSA-N 237.299 2.146 0 40 BEAB CCOC(=O)/C=C/CC(C)(C)CCOC(C)=O 1638763 RMNXNRFUMFJXDX-VOTSOKGWSA-N 242.315 2.475 0 40 BEAB CC(C)C[C@H](C)NC(=O)c1ccncc1 2069508 TYHNTVMSQYIYFX-JTQLQIEISA-N 206.289 2.246 0 40 BEAB C1=CC2=c3ccccc3=C3CCCC(=C23)C1 2508233 HWEWZSACZIURKQ-UHFFFAOYSA-N 206.288 2.442 0 40 BEAB Oc1[nH]c(=S)nnc1-c1ccc(F)c(F)c1 3888565 JXUKXRHVTUCMBP-UHFFFAOYSA-N 241.222 2.185 0 40 BEAB CCCCCC[C@H]1C[C@H](C)N(CCO)C1=O 5244900 OGJHQQJFKJKOEB-RYUDHWBXSA-N 227.348 2.186 0 40 BEAB CO[S@@](=O)c1cc(Cl)cc(Cl)c1O 6403300 WRSNHYQWUHHFLB-ZDUSSCGKSA-N 241.095 2.368 0 40 BEAB CCOc1cccc(O[C@H](CC)C(=O)O)c1 8729621 XZYUNGQYXXNGCX-LLVKDONJSA-N 224.256 2.327 0 40 BEAB CN(C)C(=O)CCc1c[nH]c2ccccc12 12929591 JYTQPORASGNTNV-UHFFFAOYSA-N 216.284 2.189 0 40 BEAB NCCOc1ccccc1CN1CCCCC1 16941967 ZMPWGRBKEHHDFB-UHFFFAOYSA-N 234.343 2.010 0 40 BEAB COc1cccc(-c2cnc(CCC(=O)O)o2)c1 19276217 XOZYNJCIBYUXEQ-UHFFFAOYSA-N 247.250 2.367 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 25713168 YSCCLECAUBVEPF-NXEZZACHSA-N 248.326 2.335 0 40 BEAB Cc1cccc(C(=O)N[C@H](C)c2ccccn2)n1 32909337 QBCWVRLXOHXMEO-LLVKDONJSA-N 241.294 2.276 0 40 BEAB CC(C)CCN[C@@H](C)c1nnc2ccccn12 35044254 BLDBRIXGTZMTMN-NSHDSACASA-N 232.331 2.426 0 40 BEAB O=C(c1ccc2c(c1)OCO2)C1CCC1 36157535 PAAOIPJMRCGTBA-UHFFFAOYSA-N 204.225 2.398 0 40 BEAB CC[C@H](NC(=O)CCC(=O)OC)c1ccccc1 36562630 OPBWCBBFIJFRKO-LBPRGKRZSA-N 249.310 2.207 0 40 BEAB CCN(CC)C(=O)Nc1ccc(CN)cc1 36720782 QNBFFOXPDONIMW-UHFFFAOYSA-N 221.304 2.019 0 40 BEAB NS(=O)(=O)c1ccccc1-c1ccccc1 37467245 SBXDENYROQKXBE-UHFFFAOYSA-N 233.292 2.001 0 40 BEAB CCc1ccc([C@@H](C)NC(=O)COC)cc1 41298317 GGVVQPYWXDUVOV-SNVBAGLBSA-N 221.300 2.073 0 40 BEAB CNc1ncnc2ccc(Br)cc12 41474484 BVYWLENBVFNPNL-UHFFFAOYSA-N 238.088 2.434 0 40 BEAB Cc1nc(N)cc(-c2ccc(F)cc2)n1 44262537 KKHQONCCNIVZJE-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB in-vitro CCOc1ncccc1NC(=O)NCC1CC1 48207665 XZYXMPSXPYOFOG-UHFFFAOYSA-N 235.287 2.012 0 40 BEAB CN(C)c1cccc(C(=O)NCC(F)(F)F)c1 58191134 ADAUGGYUBKESKY-UHFFFAOYSA-N 246.232 2.045 0 40 BEAB CC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1 58202467 LFXJAIFDOSRBLE-CYBMUJFWSA-N 236.315 2.278 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)c1cc(C2CC2)on1 58363889 BFNUEPFQVOEPSI-QMMMGPOBSA-N 234.299 2.423 0 40 BEAB Cc1csc(I)n1 59827166 ZXQBECTXVXNCND-UHFFFAOYSA-N 225.054 2.056 0 40 BEAB in-vitro CCOC(=O)c1sc2ccc(C=O)cc2c1N 63110874 HVEYBGLQTFAKTN-UHFFFAOYSA-N 249.291 2.473 0 40 BEAB CSc1ccccc1NC(=O)[C@H]1CCOC1 69314396 KFFUTUZGHZJQOY-VIFPVBQESA-N 237.324 2.384 0 40 BEAB Cc1ccc(F)cc1C(=O)Nc1c[nH]ccc1=O 69780575 PLTJZOJIPFGHNJ-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB Cc1ccccc1-n1cnc(Cl)c1CO 69949549 FDOQTHLRLDZDIB-UHFFFAOYSA-N 222.675 2.326 0 40 BEAB Cc1ncsc1CN[C@@H](C)c1nccn1C 70008383 IFVDGSVTKWBILZ-VIFPVBQESA-N 236.344 2.036 0 40 BEAB Cc1ccc([C@H]2OCCC[C@@H]2CN)cc1 70621995 GIHZZIZFMMONAF-CHWSQXEVSA-N 205.301 2.421 0 40 BEAB in-vitro c1ccc(C2(N3CCCC3)CCNCC2)cc1 71535007 CELGPXSFFNRYAY-UHFFFAOYSA-N 230.355 2.361 0 40 BEAB Nc1ccn(Cc2ccc(F)c(Cl)c2)n1 71978681 MBCYUCVZIKEVNO-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB COc1ccc([C@H]2CCCN2C)c(C)n1 72218062 NIGJOFKDRUVRBO-LLVKDONJSA-N 206.289 2.165 0 40 BEAB Cc1ccc(NC(=O)c2csnc2C)nc1 72243092 SFJFIFXDGDPDSZ-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB OC1(CNCC2CCCCCC2)CCOCC1 72312315 ZHXXYZYSXXNKMZ-UHFFFAOYSA-N 241.375 2.088 0 40 BEAB CCCCn1c(Cn2ccnc2)ccc1C(=O)O 78404699 XMCDQQFGJNKYRW-UHFFFAOYSA-N 247.298 2.231 0 40 BEAB NCc1ncoc1-c1ccc(Cl)cc1 82640848 NQMBKAYXLRRUHT-UHFFFAOYSA-N 208.648 2.454 0 40 BEAB Nc1nc2nc(Br)ccc2s1 89229421 ZLVVXHLXFMDCPG-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB CC1(C)CCC(CNC(=O)c2cc[nH]n2)CC1 89314667 OIQJRSHJOSRUNW-UHFFFAOYSA-N 235.331 2.356 0 40 BEAB Cc1cc2oc(=O)cc(CO)c2cc1Cl 94993342 PNGSBYQDYKJIIG-UHFFFAOYSA-N 224.643 2.247 0 40 BEAB O[C@@H](CCC1OCCCO1)c1cccs1 95728572 LKBATYZIZXUFQY-VIFPVBQESA-N 228.313 2.325 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96062526 IVWWGXWOTVFSCP-WCFLWFBJSA-N 221.300 2.279 0 40 BEAB C[C@@H]1COC2(CCN(C(=O)c3ccoc3)CC2)C1 96072957 OZSVIEQCGYUIMQ-NSHDSACASA-N 249.310 2.311 0 40 BEAB Cc1c(Br)ccc(F)c1N 96306945 UTKJWOZKGJHGNO-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB in-vitro CC(C)(C)c1cnc(COCc2ncc[nH]2)o1 96494655 WFYZRIDGHLQIDJ-UHFFFAOYSA-N 235.287 2.412 0 40 BEAB COC(=O)c1oc2ccccc2c1C=O 96511176 ORRPSNPLFLAVHI-UHFFFAOYSA-N 204.181 2.032 0 40 BEAB Fc1ccc(Cl)c(CN2CCCNCC2)c1 96523648 FZXAVMXTUXEOHH-UHFFFAOYSA-N 242.725 2.274 0 40 BEAB Clc1nc2c(c(N3CCCC3)n1)NC=CN2 101374922 SRMGZHHYTGEPSL-UHFFFAOYSA-N 237.694 2.039 0 40 BEAB CCOc1cc(N(C)CCC(F)(F)F)ncn1 122222882 UYOPWLAHNZOTGV-UHFFFAOYSA-N 249.236 2.264 0 40 BEAB NN[C@H]1CCCC[C@@H]1Cc1ccccc1 199539266 UFIXVJLXVFSSHV-OLZOCXBDSA-N 204.317 2.251 0 40 BEAB CNC[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 256050829 GQOXRGPBNSWUJQ-QWRGUYRKSA-N 242.363 2.241 0 40 BEAB CC(C)n1cc(C(=O)O)c(C(F)F)n1 307339951 XGJXJWNHZUHZRS-UHFFFAOYSA-N 204.176 2.100 0 40 BEAB FC(F)(F)c1cc(N2CC=CCC2)ncn1 1775994855 KEDUSKUVRBULOC-UHFFFAOYSA-N 229.205 2.262 0 40 BEAB CCOC1(c2ccccc2)CCNCC1 1580840 GMBVQDPSOSICDP-UHFFFAOYSA-N 205.301 2.302 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@@]1(O)C=CCCC1 1675351 IDPCFIYJYAVFFE-TZMCWYRMSA-N 232.279 2.326 0 40 BEAB COc1ccc(OC)c(-n2cccc2C(=O)O)c1 1731442 GGALCPPUQFWUST-UHFFFAOYSA-N 247.250 2.193 0 40 BEAB CCOc1ccc(CSC(=N)N)cc1 4008340 DVZVTRKQXFCGKK-UHFFFAOYSA-N 210.302 2.212 0 40 BEAB CN1CCC(OC(=O)c2ccc(F)cc2)CC1 4560840 WVLAEJNDCHGGDI-UHFFFAOYSA-N 237.274 2.077 0 40 BEAB Nc1nc2cc([C@H](O)c3ccccc3)ccc2[nH]1 5117403 IUOONJFBASBHAA-CYBMUJFWSA-N 239.278 2.227 0 40 BEAB in-vitro Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 5341714 YBBARMHTNXAKPL-AWEZNQCLSA-N 249.354 2.221 0 40 BEAB CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 6263699 LTVIPHRKFGSEGC-SECBINFHSA-N 235.283 2.045 0 40 BEAB c1cn(-c2ncnc3sc4c(c23)CCC4)cn1 6909681 OLHBTWIBSUGSEH-UHFFFAOYSA-N 242.307 2.366 0 40 BEAB CCC(=O)Nc1cc(NC(C)=O)ccc1OC 9388939 OAFNKCMPKURSAN-UHFFFAOYSA-N 236.271 2.002 0 40 BEAB Cc1ccc(CNCC2CCNCC2)cc1 10434619 DWMROJZFXRSYKE-UHFFFAOYSA-N 218.344 2.084 0 40 BEAB CC(C)CNC(=S)Nc1ccccn1 13837021 SSZYUCIPSWVISG-UHFFFAOYSA-N 209.318 2.024 0 40 BEAB COc1ccccc1CNC1CCC(O)CC1 19918482 VWRBHGMSRRZIMI-UHFFFAOYSA-N 235.327 2.088 0 40 BEAB NC(=S)Nc1ccc(F)cc1Cl 20368740 KPCYYLJQEQWDJG-UHFFFAOYSA-N 204.657 2.135 0 40 BEAB CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 29066128 NGHAAHBCZYXBOS-UHFFFAOYSA-N 232.287 2.361 0 40 BEAB CCOC(=O)CC(=O)c1cc(F)cc(F)c1 32919589 SJQAWRHMPXRCRM-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB C[C@H](O)c1ccc(NC(=O)c2cccnc2)cc1 35646033 KLMSOHCDOJDYCR-JTQLQIEISA-N 242.278 2.387 0 40 BEAB CN[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 39951996 NTHKMYRCEUJLOL-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB in-vitro Cc1c(Br)[nH]c(C(=O)O)c1C 40546715 BLFWPIMFOLXRAS-UHFFFAOYSA-N 218.050 2.092 0 40 BEAB COC(=O)[C@H](C)Nc1cccc(C)c1C 44870447 TZKILWOMJAUGQL-JTQLQIEISA-N 207.273 2.277 0 40 BEAB CCCSCC(=O)Nc1ncccc1C 59368402 KFONTVNLCTVWQB-UHFFFAOYSA-N 224.329 2.472 0 40 BEAB Cc1ccn(CCOc2ccccc2)c(=O)c1 71857515 DGVFLTAUXHRUFQ-UHFFFAOYSA-N 229.279 2.236 0 40 BEAB Cc1ccc([C@@H]2CCCCN2C=O)cn1 72211268 RAUZIGLFYIAIBK-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC1CC1 72302924 LAARUEAVPOZANF-VHSXEESVSA-N 210.321 2.225 0 40 BEAB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccsc1 72324464 OENMGDLWRDXQIX-WCQYABFASA-N 236.384 2.417 0 40 BEAB Cc1cc(-c2cnoc2[C@@H]2CCCNC2)on1 72397697 BGCOVJVUXOFBFM-SECBINFHSA-N 233.271 2.105 0 40 BEAB CCc1nc([C@@H](C)NC(=O)C2CC2)cs1 83830246 SWOVKRXMAWXGQD-SSDOTTSWSA-N 224.329 2.293 0 40 BEAB Cc1oc(/C=C/C(=O)O)cc1Br 85395004 ZXOZAJWZJUHZEZ-NSCUHMNNSA-N 231.045 2.448 0 40 BEAB CCC[C@H]1C[C@@H]1Nc1cn[nH]c(=O)c1Cl 95404373 YKRUPRJIPZPYDD-BQBZGAKWSA-N 227.695 2.024 0 40 BEAB C1=CCC(Nc2ccc3nnc(C4CC4)n3n2)C1 95413920 HDMYJUJIGVRGJH-UHFFFAOYSA-N 241.298 2.132 0 40 BEAB Nc1cnc(C(F)(F)F)cc1Br 95761601 XGFNZCDXOQIFBE-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB CC(C)C[C@H](C)NCCC(=O)NC1CCCC1 95967408 PBNAEEWTFKCQNC-LBPRGKRZSA-N 240.391 2.460 0 40 BEAB C[C@H](NCC1OCCO1)c1ccc(Cl)s1 97111513 KZQVWXFGFAIWLS-ZETCQYMHSA-N 247.747 2.425 0 40 BEAB CCCN(CCC)C(=O)[C@@H](C)n1cccn1 97130887 ONDVGPSVBATTTP-LLVKDONJSA-N 223.320 2.093 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@H]3[C@H]([C@H]12)C3(C)C 100393062 OQKJKCCRSOBXLL-VXZZIDTMSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro OC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 101543993 WJEZASBTWYDHPJ-ZDEQEGDKSA-N 233.311 2.115 0 40 BEAB NN[C@@H](c1cc(F)cc(F)c1)C(F)(F)F 161796970 KEQLWXQXQKPZMO-ZETCQYMHSA-N 226.148 2.032 0 40 BEAB NN[C@@H](c1ccccc1)c1cccc(F)c1 161807691 QBPUXNSLSCCZMO-ZDUSSCGKSA-N 216.259 2.378 0 40 BEAB COc1cc(F)c2c(Cl)ncnc2c1 217075326 ICEJVOCYIFXOKB-UHFFFAOYSA-N 212.611 2.431 0 40 BEAB Cc1ccc(OCc2ncc(C=O)cn2)cc1C 217377022 IWKPPHQEZVIDJA-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB CC1(C)[C@@H](C(=O)OCc2ccccc2)C[C@H]1N 253180588 DMJFZMFHYUPLJF-VXGBXAGGSA-N 233.311 2.103 0 40 BEAB CCC(=O)NCCCN1CCCC[C@H]1CC 260764688 LIICHGVIIAHLRV-GFCCVEGCSA-N 226.364 2.167 0 40 BEAB CC(Cl)(Cl)C(=O)N[C@H]1CSC1(C)C 306390787 ZEQWBKRDFWMPRB-YFKPBYRVSA-N 242.171 2.190 0 40 BEAB C[C@@]1(C(=O)N[C@H]2CC=CCC2)CC1(F)F 334985483 DGLDDBFTSZXVHF-WPRPVWTQSA-N 215.243 2.257 0 40 BEAB CC(=O)OCC(=O)c1cc(F)cc(Cl)c1 382710711 YDUQHJATDBNWLY-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB N=C(N)[C@@H]1C[C@H]1c1ccc(Br)cc1 575423449 NJRWLSBDDNFIKQ-DTWKUNHWSA-N 239.116 2.489 0 40 BEAB CN(Cc1ccc2cnccc2c1)[C@H]1CCOC1 683829104 MXZBWWJGIAZQRB-HNNXBMFYSA-N 242.322 2.456 0 40 BEAB O=C(C1CC1)N1CC[C@@H](c2cccs2)C1 827907428 WVVDOLWCUKEYLX-SNVBAGLBSA-N 221.325 2.474 0 40 BEAB C[C@@]1(O)CC[C@H](NC(=O)OCc2ccccc2)C1 1857794758 QVJNWIGBKYIEKS-GXTWGEPZSA-N 249.310 2.216 0 40 BEAB CC(=O)N[C@H]1CCCC[C@H]1C1CCC(N)CC1 1579178 OVPICLNSCJKJLW-HOAMVYINSA-N 238.375 2.199 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1O 2541596 MAONMXZZIKVZBB-UWVGGRQHSA-N 229.320 2.062 0 40 BEAB in-vitro O=C(Nc1cccc(Cl)c1)[C@@H]1CCCO1 5756985 WRBPJGGXEGKSGP-JTQLQIEISA-N 225.675 2.458 0 40 BEAB C[C@H]1SC(=O)NN=C1c1ccccc1 6437543 BVLKFTPVGIXQDN-SSDOTTSWSA-N 206.270 2.236 0 40 BEAB O=C(O)/C=C/c1cnc(-c2ccc(F)cc2)nc1 8731029 MSHSHDXYKZWMIA-LZCJLJQNSA-N 244.225 2.381 0 40 BEAB C[C@H]1CN2CCC[C@H]2CN1Cc1cccc(F)c1 19575778 GETWVEJSRHTUMV-WFASDCNBSA-N 248.345 2.494 0 40 BEAB COc1cc2sc(N)nc2c2cccnc12 19772639 NQEKOXDLTUXYMT-UHFFFAOYSA-N 231.280 2.435 0 40 BEAB O=C(O)[C@@H]1CCCN1CCCc1ccccc1 19787898 ZDXNEKQUNUDUPG-ZDUSSCGKSA-N 233.311 2.168 0 40 BEAB O=C(O)/C=C/c1ccc2cccc(O)c2n1 22011203 IUVXVLBCPIBXLZ-VOTSOKGWSA-N 215.208 2.038 0 40 BEAB Nc1ccc(F)c(NC(=O)c2cccnc2)c1 22145352 VFJYQRBBXBMQPQ-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB COc1cccc(CNC(=O)C=C(C)C)c1 23154182 KUBZSETVFRPCTE-UHFFFAOYSA-N 219.284 2.278 0 40 BEAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1 32012611 DAGWNRUYMBGFSV-KWQFWETISA-N 211.692 2.389 0 40 BEAB in-vitro NCCN1CCC[C@H]1c1ccc(Cl)cc1 32553285 YVAKHIJWMQLKHA-LBPRGKRZSA-N 224.735 2.436 0 40 BEAB CCCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 32611536 BEIJMEXWJWAPKH-RYUDHWBXSA-N 249.358 2.411 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2o1 33018998 OQPDSPKZZRBGCX-SECBINFHSA-N 245.278 2.321 0 40 BEAB Cc1cccc(C(C)(C)C)c1OCC(N)=O 33433527 AWASRJGZPTYFGM-UHFFFAOYSA-N 221.300 2.157 0 40 BEAB Cc1cccc(C)c1[C@H](O)c1c[nH]cn1 33876209 OCHDQYRNWAVERA-GFCCVEGCSA-N 202.257 2.108 0 40 BEAB CCC[C@H]1NCCN(C(=O)OC(C)(C)C)[C@H]1C 34781544 OEBUSDBRXUSYID-WDEREUQCSA-N 242.363 2.384 0 40 BEAB CN(Cc1ccco1)C(=O)CC[C@@H]1CCCO1 40510388 KIQDLSJUZPVWKF-NSHDSACASA-N 237.299 2.197 0 40 BEAB Cc1cc(C)c(C(=O)O)c(OC2CCC2)n1 50519604 ULCYEGWQENYMDK-UHFFFAOYSA-N 221.256 2.328 0 40 BEAB in-vitro CC[C@H](C)C(=O)NCCCN1CCCCCC1 55290055 SWQFQEKTBRNDSX-ZDUSSCGKSA-N 240.391 2.415 0 40 BEAB O=C(Nc1ccc(F)cc1F)c1ncccn1 56906725 BKSQFKVSSMMZLJ-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB CC[C@H](C)N(C)C(=O)NCCN(C)[C@H](C)CC 66195679 GNAIUIWBOFSJLF-NEPJUHHUSA-N 243.395 2.157 0 40 BEAB CCOc1ncccc1[C@H]1CCCCN1C=O 72211872 PRSZJRZSPONZFS-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB Cc1cc([C@@H]2CCCCN2C=O)cnc1N(C)C 72218652 BAZFTLGFIMVDQY-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 72481878 GQETWINOIJFTEK-JLIMGVALSA-N 237.299 2.178 0 40 BEAB c1ncn(C[C@H]2CCCCN2CC2CCCC2)n1 75131976 PJUVEGLUPXTIHV-CQSZACIVSA-N 248.374 2.323 0 40 BEAB CN1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 82324278 ZDVXCFPUDGMJII-JTQLQIEISA-N 236.290 2.106 0 40 BEAB O=C(O)[C@@H]1CCC[C@@H]1NCc1ccccc1 84011583 FJMJOYQGUPTRDF-NEPJUHHUSA-N 219.284 2.030 0 40 BEAB Nc1cnn(CCCC(F)(F)C(F)(F)F)c1 95094033 DDAGHPVUJYZPBT-UHFFFAOYSA-N 243.179 2.443 0 40 BEAB CC(C)c1nc(C(=O)Nc2cnccn2)cs1 95944529 HFOHUIJEFXTAIO-UHFFFAOYSA-N 248.311 2.309 0 40 BEAB COC(=O)c1cccc2c1CC(C)(C)O2 118895033 XIRXRCFKODKVGJ-UHFFFAOYSA-N 206.241 2.187 0 40 BEAB Cc1cc(NCc2ccc(F)cc2)n(C)n1 202552595 PHVSGCSQCFBBGV-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CC(C)(C)OC(=O)NC(C)(C)C(C)(C)N 202807710 XESYPBHHGHNDEQ-UHFFFAOYSA-N 216.325 2.027 0 40 BEAB Cc1ccc(CN2CCN[C@H]3CCC[C@H]32)cc1 218841260 SEBNHSQPYQEASB-LSDHHAIUSA-N 230.355 2.321 0 40 BEAB c1csc(CCN2CCN[C@@H]3CCC[C@H]32)c1 218843002 QAUPJZQIGTZSKP-CHWSQXEVSA-N 236.384 2.117 0 40 BEAB CCO[C@@H](Cc1cc(C)ccc1C)C(=O)O 225029658 FWKJRWCFNGTWPP-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB FC1(F)CCC(Nc2ncccn2)CC1 335616223 SNQUMBQWVPNGFU-UHFFFAOYSA-N 213.231 2.466 0 40 BEAB O=Cc1c(C(F)(F)F)nc2n1CCCC2 521398910 CLUVZSBZVZFFNL-UHFFFAOYSA-N 218.178 2.051 0 40 BEAB CCOc1nc2ccc(F)cc2cc1N 685937277 MEBZJTPCHBRKOH-UHFFFAOYSA-N 206.220 2.355 0 40 BEAB CCCCCSc1nc2c(N)ncnc2[nH]1 1667207 RNWHXXWWCSFPTL-UHFFFAOYSA-N 237.332 2.217 0 40 BEAB C[C@@H]1CCCN(CNC(=O)c2ccccc2)C1 4903186 HGDMSNDOBJQNSW-GFCCVEGCSA-N 232.327 2.106 0 40 BEAB CCOc1ccc([C@H](C)NC(C)=O)cc1 6554350 YKDSIUMQCPPFHS-VIFPVBQESA-N 207.273 2.282 0 40 BEAB CCCOc1ccc(C=O)cc1CN(C)C 6659912 OZUQTQBKNRTBSH-UHFFFAOYSA-N 221.300 2.350 0 40 BEAB Cc1cc(COC(=O)c2ccc(O)cc2)on1 8524181 ZTCXMEIIFWHMAI-UHFFFAOYSA-N 233.223 2.046 0 40 BEAB CC(C)[C@H](C)NS(=O)(=O)Cc1ccccc1 9256541 LPWJYURZVCLRLY-NSHDSACASA-N 241.356 2.151 0 40 BEAB CCC(CC)NC(=O)NCc1ccncc1 12536378 PICOFQCTZGBHRE-UHFFFAOYSA-N 221.304 2.069 0 40 BEAB CCOC(=O)/C=C/c1ccc(NC(C)=O)cc1 12623994 CDEIESVXIPSGGU-RMKNXTFCSA-N 233.267 2.221 0 40 BEAB CCCCSc1nnc(O)nc1SC 17431040 PRRXSRXNECKEPC-UHFFFAOYSA-N 231.346 2.191 0 40 BEAB CC(C)(C)c1ccc([C@H](O)CCN)cc1 19674773 BWLRSHGKMGRZFV-GFCCVEGCSA-N 207.317 2.366 0 40 BEAB CCc1nnc(NC(=O)C[C@H]2C=CCC2)s1 19680441 HIXSXXZOKKSXGZ-QMMMGPOBSA-N 237.328 2.395 0 40 BEAB CONC(=O)c1occc1COc1ccccc1 23041213 XSNWBDVBLSVFMU-UHFFFAOYSA-N 247.250 2.150 0 40 BEAB COC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 32223653 RGACWXDYKJJHSQ-JTQLQIEISA-N 248.200 2.264 0 40 BEAB O=C(NCC1CC1)c1cc2cc(F)ccc2[nH]1 32760382 DKUCXTAFTDZCKE-UHFFFAOYSA-N 232.258 2.447 0 40 BEAB COc1cc(C=O)c(OC)cc1Cl 34599824 VWSPFJJLIGAHLK-UHFFFAOYSA-N 200.621 2.170 0 40 BEAB in-vitro O=C(O)c1cnc2c(F)c(Cl)ccc2c1O 35731184 KJOFIBYCYSWMEM-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB in-vitro COc1ccc(Br)c(OC)c1C=O 38302799 CTZDPLCWTYHSOR-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB CC[C@@H](C)C(=O)NOCc1ccccc1 40488088 BAXQFDFCFWTGPI-SNVBAGLBSA-N 207.273 2.281 0 40 BEAB N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1 43193626 RCAIWVIQRMDTAV-OAHLLOKOSA-N 227.307 2.216 0 40 BEAB NCCc1cc(C(F)(F)F)ccc1F 44248584 OWVJINCYEZPRBD-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB O=C(NC1CC1)c1cnc(-c2ccccc2)nc1 49423205 RKWXKEDIGDUJJL-UHFFFAOYSA-N 239.278 2.036 0 40 BEAB C[C@@H]1C[C@@H]1NC1CCN(c2ccccn2)CC1 52273500 HIEZULJZBHYDOO-YPMHNXCESA-N 231.343 2.048 0 40 BEAB COc1ccc([C@@H](CN)OC(C)C)c(OC)c1 62711773 LFDFIYQOEZJMJH-CYBMUJFWSA-N 239.315 2.129 0 40 BEAB Cc1noc([C@H]2CCCCN2CC(F)(F)F)n1 67350481 IAUANWLQBMLWFH-MRVPVSSYSA-N 249.236 2.467 0 40 BEAB CCC(CC)CNC(=O)NCc1ccncc1 72274069 VURAJXRACFCYCT-UHFFFAOYSA-N 235.331 2.317 0 40 BEAB CC(=O)N(C)Cc1cc2ccccc2o1 74854458 MXLQMJBUOKAIKV-UHFFFAOYSA-N 203.241 2.411 0 40 BEAB COC(=O)c1ccoc1CS[C@H](C)[C@@H](C)O 79065018 UBRCEEUCLGYNAI-HTQZYQBOSA-N 244.312 2.069 0 40 BEAB N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79437090 FAIYTHASVJZIGQ-QWHCGFSZSA-N 248.326 2.183 0 40 BEAB Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 81217803 ZHVNZQRPDRCQNL-UHFFFAOYSA-N 237.262 2.172 0 40 BEAB CCc1nc2ccc(Br)cn2c1N 82485988 IPAMHIQPJCNHQU-UHFFFAOYSA-N 240.104 2.241 0 40 BEAB CCOC(=O)c1nn([C@H](C)CC)c(N)c1Cl 95094664 OVVMOXIPAILYDQ-ZCFIWIBFSA-N 245.710 2.266 0 40 BEAB CC(=O)OCCc1ccc(F)c(F)c1 95729962 ZCJCRUVBKJFBCR-UHFFFAOYSA-N 200.184 2.070 0 40 BEAB CNC(=O)Cc1nc(Cc2ccccc2)cs1 96009347 FWGPCAWGXSQWCF-UHFFFAOYSA-N 246.335 2.022 0 40 BEAB CCn1cnnc1CN[C@@H]1CCC[C@H](C)[C@@H]1C 97237423 QDSVUTKYFJQKOM-SDDRHHMPSA-N 236.363 2.212 0 40 BEAB COC(=O)Cc1cccc(Cl)c1F 98213453 BNUGNYLLWGPWHB-UHFFFAOYSA-N 202.612 2.195 0 40 BEAB CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)O)C1 101082734 XFLWJYVXLKHIOV-GXFFZTMASA-N 225.332 2.362 0 40 BEAB N[C@@]1(C(=O)c2ccccc2)C[C@@H]2CC[C@@H]1C2 104137151 WXMKFJNHLNQUQQ-QKCSRTOESA-N 215.296 2.387 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](N)C12CCCC2 107282219 ZVTWRNPATYORKH-JTQLQIEISA-N 240.347 2.267 0 40 BEAB Cc1ccc(OCCN2CCCCC2)cn1 190091887 XMPWQXJPJJWVOG-UHFFFAOYSA-N 220.316 2.255 0 40 BEAB CCCOC(=O)c1ccc(NCC)c(N)c1 225405219 DPIYIIPXKFYFDB-UHFFFAOYSA-N 222.288 2.267 0 40 BEAB c1coc(Cc2ccc(CNC3CC3)[nH]2)c1 226021197 JZNZZMDHNRIZJV-UHFFFAOYSA-N 216.284 2.451 0 40 BEAB Fc1cccc2oc(N3CCCO3)nc12 335778482 FMCZMFDMZZZIKI-UHFFFAOYSA-N 208.192 2.109 0 40 BEAB COC(=O)c1ccc(C(=O)[C@H](C)Cl)cc1 380056138 YJUXFQPYIDYECV-ZETCQYMHSA-N 226.659 2.283 0 40 BEAB CC1(C)Cc2ccccc2N1Cc1cnon1 585123543 ROYWPAZAZFFIFT-UHFFFAOYSA-N 229.283 2.411 0 40 BEAB CCc1c[nH]c2ccc(OC)cc2c1=O 685937954 CVYMRQVTHZFUOW-UHFFFAOYSA-N 203.241 2.099 0 40 BEAB NC[C@@H](c1ccccc1)c1ccc(N)cc1 1597903 XVFGZOOKEXYXKC-AWEZNQCLSA-N 212.296 2.359 0 40 BEAB O=C1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 101345069 NFJXWSGDBZJYSN-KGLIPLIRSA-N 229.323 2.488 0 40 BEAB in-vitro Cc1cccc(NC(=O)[C@@H]2CCCO2)c1C 6317851 HXJFWRVMTMJXCL-LBPRGKRZSA-N 219.284 2.421 0 40 BEAB CC(C)(C)c1ccc(O)c(NC(N)=S)c1 20154627 ZHLYWFKOPRRFJO-UHFFFAOYSA-N 224.329 2.345 0 40 BEAB COc1ccccc1CN[C@H]1CCCC[C@H]1O 37490779 MXMLMFXYNJBSSN-QWHCGFSZSA-N 235.327 2.088 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)c1cc[nH]n1 42181752 IRUWACLWMSRHMO-VIFPVBQESA-N 227.267 2.001 0 40 BEAB O=C(O)[C@]1(Cc2cccc(Cl)c2)CCOC1 54634108 PRLQSBHXPDYLQU-LBPRGKRZSA-N 240.686 2.374 0 40 BEAB Cc1ccc(F)cc1NC(=O)c1cnccn1 1367575 CLGFTVMIGXZMFR-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB O=C(O)c1c[nH]nc1-c1c(F)cccc1F 26514978 SHESNFSYTYOFMU-UHFFFAOYSA-N 224.166 2.053 0 40 BEAB in-vitro Cc1cnc(NC(=O)CCOCC(C)C)s1 36395895 SXYLQMHWLJFHOD-UHFFFAOYSA-N 242.344 2.453 0 40 BEAB CCCCC[C@H](C)NC(=O)[C@H]1CCCO1 6042516 HUOJFXFCPQZHQO-WDEREUQCSA-N 213.321 2.250 0 40 BEAB Cc1cc(C)cc(CN2C(=O)NC(C)(C)C2=O)c1 39583882 KHCVGZLPRRSWNV-UHFFFAOYSA-N 246.310 2.134 0 40 BEAB Fc1ccccc1OCc1nnc(S)o1 6566493 GUBJWMWRDXXNGV-UHFFFAOYSA-N 226.232 2.076 0 40 BEAB in-vitro CNC(=O)c1c(-c2ccccc2)nn(C)c1Cl 5525923 MAQVSTJPKRKWJV-UHFFFAOYSA-N 249.701 2.100 0 40 BEAB CC(=O)c1c[nH]c(C(=O)Nc2ccccc2)c1 7069489 SPHRCFUGBCLRET-UHFFFAOYSA-N 228.251 2.470 0 40 BEAB Cc1ccccc1CCNC(=S)NC1CC1 7390011 WAIMXMDEJOQOHM-UHFFFAOYSA-N 234.368 2.164 0 40 BEAB Cc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1 8924638 VRSLDNXOIZTMPI-LBPRGKRZSA-N 248.326 2.231 0 40 BEAB C[C@@H]1C[C@H]1c1ccc(CNCCN(C)C)o1 19260206 DHAQBFIMXSUXJB-ZYHUDNBSSA-N 222.332 2.054 0 40 BEAB O=C(O)c1ccc(CNc2ccncc2)cc1 19518311 ZJJLFCGQWMKQPM-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB in-vitro C[C@](O)(CNC(=O)Nc1cccs1)C1CC1 62021796 UDNSKGPBZUVEAB-NSHDSACASA-N 240.328 2.031 0 40 BEAB Cc1cccc(C(=O)N[C@@H](C)c2ncon2)c1F 97047496 RLFFZQSESNPAHD-QMMMGPOBSA-N 249.245 2.008 0 40 BEAB CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](O)C1 97758871 GMYIYDDIJOJTEW-SECBINFHSA-N 229.320 2.014 0 40 BEAB in-vitro CC(C)C[C@@H](NCc1nncn1C)C(C)(C)C 95987503 PVUJPZFIAFPOHL-LLVKDONJSA-N 238.379 2.366 0 40 BEAB COc1cc2c(c3nc(C)oc13)CCC2=O 34727720 HWHZEDCRCGJPGQ-UHFFFAOYSA-N 217.224 2.274 0 40 BEAB COC(=O)c1c(C)cc(C)c(C=O)c1C 1535631129 NPZKTVMOKQAXLY-UHFFFAOYSA-N 206.241 2.211 0 40 BEAB C[C@H](CC(=O)Nc1ccccc1)[C@@H]1CCCN1 72208205 VFKXYTDTXIIOOX-YPMHNXCESA-N 232.327 2.403 0 40 BEAB Cc1cccc(-n2nnc3ccccc3c2=O)c1 216522778 SIDFPIYGXQSOSE-UHFFFAOYSA-N 237.262 2.089 0 40 BEAB c1cc(-c2nnc3sc(C4CC4)nn23)ccn1 32093712 IGCBXVBPJGFGBH-UHFFFAOYSA-N 243.295 2.125 0 40 BEAB C[C@H](O)CCNc1ccc(Br)cn1 42783907 MEKCECWQVYWMBU-ZETCQYMHSA-N 245.120 2.027 0 40 BEAB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 95401256 LYASYPJZWXINTL-VXGBXAGGSA-N 207.317 2.481 0 40 BEAB CO[C@@H]1CCCC[C@@H]1OC(=O)C1CCC1 97404912 VUTNEPGKFVOBSS-MNOVXSKESA-N 212.289 2.287 0 40 BEAB COCCOc1ccc(Oc2cn[nH]c2)cc1 95095570 SKIUMFYHJARASI-UHFFFAOYSA-N 234.255 2.227 0 40 BEAB CCCOc1cccc(C(=O)C(=O)OCC)c1 95730606 YGNKPPHKWYBGKD-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CC(C)n1ncc2c1C[C@H]1CC[C@H]2C12OCCO2 575422924 DKSNQHXZMWGMJI-ZYHUDNBSSA-N 248.326 2.257 0 40 BEAB C[C@H]1CCC[C@@H](C)N1CCOC[C@@H]1CCCO1 75021233 BZKFNNNEUOGECC-MJBXVCDLSA-N 241.375 2.445 0 40 BEAB CCO[C@H]1C[C@H](NC(=O)c2ccncc2)C1(C)C 96414162 UKWSCCYCUSBBMX-RYUDHWBXSA-N 248.326 2.015 0 40 BEAB CC(C)=CCNc1nc(Cl)nc2[nH]cnc12 1856378 NZWPXCCNOTZIPE-UHFFFAOYSA-N 237.694 2.384 0 40 BEAB C[C@@H](CCCCO)N[C@H]1CSC1(C)C 379666354 XHJOABHGVMIMJG-UWVGGRQHSA-N 217.378 2.021 0 40 BEAB Cc1cnc([C@@H]2CCCN2CC2CC2)[nH]1 205687373 KUQRCWCEMITSTN-NSHDSACASA-N 205.305 2.265 0 40 BEAB Cc1ccc(CNC(=O)c2ccncc2)cc1F 12987290 RSGDVPHDOGPDMU-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB C[C@@]12CC3CC(NCCO)(C1)C[C@@](C)(C3)C2 100067775 HXDRZBDZKHGPRZ-QPPOZKHWSA-N 223.360 2.317 0 40 BEAB CCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 20030077 RUSJYUIFRXJVKS-MRVPVSSYSA-N 247.747 2.340 0 40 BEAB COc1cccc(CNC(=O)N2CCCC2)c1 30981390 JVPPBEXQMBCCSH-UHFFFAOYSA-N 234.299 2.001 0 40 BEAB CCOc1ccc(C2=NN(CC)C(=O)CC2)cc1 51248 HOFWFVMRCWUGAB-UHFFFAOYSA-N 246.310 2.432 0 40 BEAB C[C@@H](Oc1ccccc1)c1ccnc2ncnn12 1393349 FNIGKRUEDGCZJM-SNVBAGLBSA-N 240.266 2.264 0 40 BEAB O=C(Nc1ccc(Cl)cn1)c1ccncc1 1505317 XVBTWUASZKBEPC-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CN(C)C(=S)SCC(=O)c1ccccc1 1675128 XHVOYKMVESKNDP-UHFFFAOYSA-N 239.365 2.449 0 40 BEAB CCCCn1c(=O)cc(C(=O)O)c2ccccc21 1726984 MHQWTZIWKLZTMX-UHFFFAOYSA-N 245.278 2.500 0 40 BEAB O=C(/C=C/c1cccs1)Nc1nncs1 3209321 HGXRCVYBSRAKOW-ONEGZZNKSA-N 237.309 2.252 0 40 BEAB Cn1c(CCCCCN)nc2ccccc21 4093223 OGPLEHKHDWFFSY-UHFFFAOYSA-N 217.316 2.245 0 40 BEAB in-vitro C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)O)[C@@H]1C 4679852 NIRDHFACMWVWAA-MXWKQRLJSA-N 241.331 2.182 0 40 BEAB CC(C)Oc1ccc(Nc2nccc(=O)[nH]2)cc1 11991427 KWLKJWBSASLSDY-UHFFFAOYSA-N 245.282 2.301 0 40 BEAB CC(C)CNC(=O)c1ccc2c(c1)OCCCO2 12918139 RIFDODMNNAWTRJ-UHFFFAOYSA-N 249.310 2.234 0 40 BEAB Cc1cc(C)cc(C(=O)NC[C@@H]2CCCNC2)c1 19272203 MEPVDXUGOGPXKY-CYBMUJFWSA-N 246.354 2.033 0 40 BEAB Cc1ccsc1C(=O)Nc1nncs1 21213929 FFWIFPWNCOEMDZ-UHFFFAOYSA-N 225.298 2.160 0 40 BEAB O=C(Nc1ccccc1Cl)c1c[nH]ccc1=O 22073329 ZWUHQBIPYSNCSV-UHFFFAOYSA-N 248.669 2.281 0 40 BEAB Cc1cc(C)n(CCC(=O)NC2CCCCC2)n1 23174950 NWOBEATWPKEJFT-UHFFFAOYSA-N 249.358 2.339 0 40 BEAB CC(=O)Nc1cccc(-c2ccn[nH]2)c1 24895307 QXWLMUXTPZBVGS-UHFFFAOYSA-N 201.229 2.035 0 40 BEAB CC(=O)Nc1cnc(-c2ccccc2)nc1 25491120 MRRAGEYMHZNMGN-UHFFFAOYSA-N 213.240 2.102 0 40 BEAB CC[C@H](C)NC(=O)CNc1cccc(C(C)=O)c1 25600659 OIGPIPOPHULPAW-JTQLQIEISA-N 248.326 2.216 0 40 BEAB CCCCn1nnc(NCc2ccc(F)cc2)n1 32617084 YTBYJDHEMQVMIY-UHFFFAOYSA-N 249.293 2.224 0 40 BEAB C[C@@H](NC1CCNCC1)c1ccc(F)cc1 38040626 KLIHGWHMEAEHKN-SNVBAGLBSA-N 222.307 2.228 0 40 BEAB CN(C)c1cc(C(=O)NC2CCCCC2)ccn1 40088415 ZSEYXQSBJFIGIG-UHFFFAOYSA-N 247.342 2.210 0 40 BEAB COCC(=O)Nc1ccc2[nH]c(C)cc2c1 40510833 LLUZBSAWANCXIC-UHFFFAOYSA-N 218.256 2.061 0 40 BEAB O[C@@H](c1cnn(-c2ccccc2)c1)C(F)(F)F 42268739 FFYRLQHGYWNWAI-JTQLQIEISA-N 242.200 2.468 0 40 BEAB in-vitro c1cc(C2OCCO2)cc(N2CCCC2)c1 42684321 PBSOJWHAESIZCR-UHFFFAOYSA-N 219.284 2.332 0 40 BEAB CCOC(=O)[C@H](CC)C(=O)C(C)(C)C 43502666 QDYVJSMPFVBBNO-MRVPVSSYSA-N 200.278 2.191 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@H](C)CC 49601600 ZOKXIFXOULCJPE-RLQPDWRBSA-N 225.332 2.032 0 40 BEAB biogenic,in-vitro CC[C@@H](C)NC(=O)c1n[nH]c2ccccc12 70286964 CUXMEYANNKNRDP-MRVPVSSYSA-N 217.272 2.091 0 40 BEAB CC(C)N1CCC[C@@H]1c1cccnc1N 72212417 PZWDHBGYALOADY-LLVKDONJSA-N 205.305 2.209 0 40 BEAB COc1cc(C(=O)NC2CC2)cc2occc12 72240067 ZTDFNDROOHNOJJ-UHFFFAOYSA-N 231.251 2.334 0 40 BEAB C[C@H](Nc1nccn2cnnc12)c1ccccc1 72287224 MUTJYYGZJYOBJW-JTQLQIEISA-N 239.282 2.297 0 40 BEAB C[S@@](=O)c1ccc(NC(=O)C(C)(C)C)cc1 72298061 XDEVNGQAFYMRJU-INIZCTEOSA-N 239.340 2.409 0 40 BEAB COc1cccc(N[C@H](CN)C(C)(C)C)c1 83774027 KLGQQFHWLZYINH-GFCCVEGCSA-N 222.332 2.481 0 40 BEAB in-vitro Cc1noc(C)c1CSC[C@H](C)CO 85139466 JMDHKUZILUTKGV-SSDOTTSWSA-N 215.318 2.153 0 40 BEAB Nc1cncc2c1CCN(Cc1ccccc1)C2 94968061 IGNWOCBUUSZIIH-UHFFFAOYSA-N 239.322 2.222 0 40 BEAB CN(Cc1ccc(F)cc1)[C@H]1CCCNC1 95067830 LICYOHDZIKBDMV-ZDUSSCGKSA-N 222.307 2.010 0 40 BEAB CNC(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1 95396872 ZWGPEAZNLXAPGK-QWHCGFSZSA-N 248.326 2.306 0 40 BEAB CCOCCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 96423518 PVMMYHAUPJJPDX-OLZOCXBDSA-N 239.359 2.498 0 40 BEAB Cc1cccc(CCN2CCCC[C@@H]2CN)c1 96523606 PIGKZGZRKXKUST-OAHLLOKOSA-N 232.371 2.351 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CCC(=O)O 100362763 MZKZHXRZHFXJPH-ZDMBXUJBSA-N 224.300 2.493 0 40 BEAB CC(C)CNC(=O)[C@@H](C)N1C[C@@H](C)C[C@@H](C)C1 106030552 CCXLWFJUQCBFAC-FRRDWIJNSA-N 240.391 2.125 0 40 BEAB OC[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 144795635 HUMHLGKGPBRHRM-CABCVRRESA-N 231.339 2.281 0 40 BEAB COC(=O)C(=O)c1c(Cl)cccc1Cl 158083605 MJWFTAXZPJSBDS-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB O[C@H]1CC[C@H](NCc2ccc(F)cc2)CC1 242437526 CEKDSILVRRSOTF-JOCQHMNTSA-N 223.291 2.219 0 40 BEAB O[C@H]1CC[C@H](NCc2ccc(Cl)nc2)CC1 242750762 ZZOVELABKXLUOC-XYPYZODXSA-N 240.734 2.128 0 40 BEAB Cn1cc(CN(CC2CC2)C2CCC2)cn1 390834494 ZTTIKMSNZVFMAH-UHFFFAOYSA-N 219.332 2.185 0 40 BEAB CC(C)CN(Cc1cc(N)n(C)n1)CC(C)C 408717376 ZCSSUGBFTACNEO-UHFFFAOYSA-N 238.379 2.116 0 40 BEAB Nc1cc(-c2cccnc2)cc(F)c1C(=O)O 675050967 DSMUSPBAOOKKAY-UHFFFAOYSA-N 232.214 2.168 0 40 BEAB Cc1cc(N(C)C(=O)[C@]2(C)CCCO2)ccc1O 913528671 GOYMOUZJFKBKHH-AWEZNQCLSA-N 249.310 2.233 0 40 BEAB Nc1ccc2c(C(=O)O)cc(C3CC3)nc2c1 1857793863 LOOWQUROFGBMPO-UHFFFAOYSA-N 228.251 2.393 0 40 BEAB c1cc(-c2cnc(NC[C@@H]3CCCO3)nc2)co1 1888897098 ZZFFRRZHMZGHSZ-LBPRGKRZSA-N 245.282 2.328 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1O 2541598 MAONMXZZIKVZBB-ZJUUUORDSA-N 229.320 2.062 0 40 BEAB in-vitro Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)on1 51996437 LARYEZURLACHHL-STQMWFEESA-N 236.315 2.126 0 40 BEAB CCNC[C@H]1CCCN1Cc1ccccc1 53648446 WNUBSXWDQOHEEU-CQSZACIVSA-N 218.344 2.261 0 40 BEAB COCC(=O)N1CCC(Cc2ccccc2)CC1 22311616 DICKUWAJILALGA-UHFFFAOYSA-N 247.338 2.114 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCC[C@@H](C)C1 42377265 HXAONISEVMJLBU-NEPJUHHUSA-N 227.348 2.306 0 40 BEAB CC[C@@H](C)NCc1cc(OC)c(O)c(OC)c1 20085662 BVMCXNHSXPRBLZ-SECBINFHSA-N 239.315 2.298 0 40 BEAB O=C(CCc1ccco1)Nc1ccncc1 25631866 WBIOWCRHIUDTKQ-UHFFFAOYSA-N 216.240 2.246 0 40 BEAB C[C@H](C1CC1)N(C(=O)[C@H]1C[C@H]2CC[C@H]1O2)C1CC1 107498718 GBZNTMMKSBRLSK-WBMYTEFPSA-N 249.354 2.343 0 40 BEAB COc1cccc2cc(-c3nnc(N)o3)oc12 26423847 FOPCPNUYUBOTIL-UHFFFAOYSA-N 231.211 2.074 0 40 BEAB in-vitro CCOC(=O)/C(Br)=C/C(F)(F)F 44830577 PQHJSEFAYJGCNJ-ARJAWSKDSA-N 247.010 2.391 0 40 BEAB Cc1cc(C(=O)NCc2cccc(F)c2)on1 58688192 WXDYMBIMGCWJRQ-UHFFFAOYSA-N 234.230 2.052 0 40 BEAB O=C(COc1ccccc1F)c1ccc[nH]1 5859976 JEFIOVWXINJGKZ-UHFFFAOYSA-N 219.215 2.416 0 40 BEAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2O)cc1 6922946 WYQVMNNOJHPEAF-NEPJUHHUSA-N 234.299 2.030 0 40 BEAB CCc1noc(-c2cc(=O)[nH]c3ccccc23)n1 67172518 HEVRPMBGEVSQIB-UHFFFAOYSA-N 241.250 2.141 0 40 BEAB Cc1cc(C)n(C2CN(CC(C)C)C2)n1 84102104 SGLZWDWJXUKTRA-UHFFFAOYSA-N 207.321 2.013 0 40 BEAB CCN(Cc1ccccc1C)[C@H]1CCN(C)C1=O 97031856 MDQWYMVMXIGATM-AWEZNQCLSA-N 246.354 2.048 0 40 BEAB c1coc(CNC[C@@H]2CCCn3ccnc32)c1 84432776 HSRGJVOEQOMLFN-NSHDSACASA-N 231.299 2.143 0 40 BEAB CC[C@H]1Oc2cc(Cl)ccc2NC1=O 73634861 AQYUDDHSOMUEDP-MRVPVSSYSA-N 211.648 2.450 0 40 BEAB O=c1[nH]nc(-c2ccccc2)cc1Cl 39410888 QYHNHMDPPWHIBK-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB CNCc1cc(-c2cccc(F)c2)no1 35655519 VPXXMMNCEUTROL-UHFFFAOYSA-N 206.220 2.200 0 40 BEAB NC[C@H](c1ccccn1)c1ccccc1F 32013103 QAXTUYJBHKSPKK-NSHDSACASA-N 216.259 2.311 0 40 BEAB Cn1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 32819935 WKULTAVBWOBWGL-DGCLKSJQSA-N 247.342 2.215 0 40 BEAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1cc[nH]n1 72350824 JEYCLTPQDSKGBC-AAEUAGOBSA-N 245.326 2.430 0 40 BEAB Clc1ccc(OC[C@H]2CCNC2)cc1 38580826 ZRYYOZMCVVVDHZ-VIFPVBQESA-N 211.692 2.328 0 40 BEAB NCC[C@@H]1CCCN(Cc2ccccc2)C1 40435018 XCLVAOPYVNRSPN-AWEZNQCLSA-N 218.344 2.247 0 40 BEAB Cn1c(C2CCCC2)nc2cc(C(=O)O)cnc21 40449322 SUXSSTDPAQYBIG-UHFFFAOYSA-N 245.282 2.324 0 40 BEAB CC1CCC(O)(CN2CCCSCC2)CC1 89982551 IAPSNUCKIBSXTK-UHFFFAOYSA-N 243.416 2.367 0 40 BEAB CCCC(=O)Nc1cc(-c2ccncc2)no1 96183279 IXRPUNIBPOGVON-UHFFFAOYSA-N 231.255 2.475 0 40 BEAB CCN(C)c1ccccc1NCc1ncc[nH]1 96486316 MLRCYXMDKCQTSG-UHFFFAOYSA-N 230.315 2.478 0 40 BEAB COc1ccccc1-c1ccc(C(=O)O)[nH]1 41229530 MCEHIDXKRYDRSC-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB CCN(CCO)Cc1cccc(Cl)c1 49754193 ZTMRVKSGNKCGAA-UHFFFAOYSA-N 213.708 2.154 0 40 BEAB CCNc1ncc(C(=O)N2CCCCC2)s1 95429463 IRGIHEBWQVNLTE-UHFFFAOYSA-N 239.344 2.201 0 40 BEAB C[C@@H](O)[C@H]1CCCN(Cc2cccs2)C1 97162218 XAGDLWVUYGWZCL-MNOVXSKESA-N 225.357 2.341 0 40 BEAB Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 20286 NDFYRGCPDAFQDG-UHFFFAOYSA-N 231.255 2.233 0 40 BEAB CCC1(COC(=S)SC)COCOC1 2243765 IFUPIHLFWCNWFD-UHFFFAOYSA-N 236.358 2.052 0 40 BEAB O=C(O)c1cnc2c(F)cc(Cl)cc2c1O 35731179 PSZHJVNXLIEBKD-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB CCN(CC)C(=O)c1ccc2c(c1)ncn2C 74705544 JDZJUEHGLZNMRU-UHFFFAOYSA-N 231.299 2.055 0 40 BEAB O=C(CC1CCCCC1)NC1=NCCS1 36724621 UZFDDRKATIGDEB-UHFFFAOYSA-N 226.345 2.176 0 40 BEAB CCCCNC(=O)c1cc2ccccc2[nH]c1=O 11698183 ITWARRRDCLTOCU-UHFFFAOYSA-N 244.294 2.058 0 40 BEAB C/C=C/C=C/C(=O)Nc1nnc(CC)s1 29873080 OIBCICZPKZOIDO-TWTPFVCWSA-N 223.301 2.171 0 40 BEAB CCOC(=O)COc1ccc(Cl)cc1C=O 2781143 VDMSVBFVAZDXRK-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CC(=O)CCCCN1C(=O)c2ccccc2C1=O 21990146 HVVRQUYSKYIOJV-UHFFFAOYSA-N 245.278 2.042 0 40 BEAB CC(C)CCOC(=O)[C@@H]1CCCC[C@H]1O 506680 NEGXKXUAVASAAB-GHMZBOCLSA-N 214.305 2.127 0 40 BEAB CC(C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12118570 CHWXREKXXBWKGQ-QMMMGPOBSA-N 248.282 2.001 0 40 BEAB Cc1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100562490 QLFMLNSQOPZXGE-RYUDHWBXSA-N 241.290 2.451 0 40 BEAB NC(=O)[C@H]1CCCc2c1[nH]c1ccc(F)cc21 22996754 HRDWQNMTNONJGW-VIFPVBQESA-N 232.258 2.212 0 40 BEAB O=C(CC(=O)C(F)F)c1cccs1 100497162 BYASAUCNBVCUOY-UHFFFAOYSA-N 204.197 2.155 0 40 BEAB Cc1cc(N[C@@H](C)c2ccco2)n2ncnc2n1 35135149 KDGSBSLRTLEYJY-VIFPVBQESA-N 243.270 2.199 0 40 BEAB CONC(=O)Cc1c(Cl)cccc1Cl 25822999 ABSDFMAODMVQOL-UHFFFAOYSA-N 234.082 2.214 0 40 BEAB Fc1ccc(Cc2nnc(S)o2)cc1 26513878 AVZZKDZHJRRXAD-UHFFFAOYSA-N 210.233 2.088 0 40 BEAB CC(C)[C@H](NC/C=C/c1ccccc1)C(=O)O 35406887 PCVKXHHHEIEDHS-PPGNKHEKSA-N 233.311 2.399 0 40 BEAB biogenic COCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 57771793 DOYYNRFFWYNGSM-UHFFFAOYSA-N 232.283 2.193 0 40 BEAB CCCC(=O)N[C@H]1CCOc2ccccc21 44868685 GFTOVGNTWPLNOF-NSHDSACASA-N 219.284 2.427 0 40 BEAB Cc1ccc(SCC(=O)N2CCC2)cc1 12866189 OPQPHVRRNRUFRD-UHFFFAOYSA-N 221.325 2.319 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 5555646 IUNLWISKZNCPQG-VXNVDRBHSA-N 219.240 2.010 0 40 BEAB CCc1ccc(OC2CCNCC2)cc1 14631947 SMAYFJHFGRXHLG-UHFFFAOYSA-N 205.301 2.380 0 40 BEAB CC(=O)Nc1cc(-c2ccccc2)nn1C 18199560 WZOKTGMZNDMANE-UHFFFAOYSA-N 215.256 2.046 0 40 BEAB Cc1cc2ncn(C[C@H](C)N)c2cc1C 19281659 GHFBXCCYQPXBHJ-JTQLQIEISA-N 203.289 2.000 0 40 BEAB in-vitro CC(C)NC(=O)N[C@@H](C)CCc1cccn1C 96431293 BSZZNVLPDHHTHG-NSHDSACASA-N 237.347 2.054 0 40 BEAB NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 89807235 MXYMNYMEEVIJPH-UHFFFAOYSA-N 230.242 2.350 0 40 BEAB Cc1nccc(N2CCOC[C@H]2CC(C)C)n1 97013885 VGARPFLLQPVVIH-GFCCVEGCSA-N 235.331 2.036 0 40 BEAB Clc1ccccc1CN[C@H]1CCCNC1 95147664 RXKYZEJFHGSJSE-NSHDSACASA-N 224.735 2.182 0 40 BEAB COc1ccc2c(c1)c(C(N)=O)c(C)n2C1CC1 78465413 KWZSBTXMEBBQOD-UHFFFAOYSA-N 244.294 2.392 0 40 BEAB Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](O)C1 85378495 HGVCGPPOINAEML-STQMWFEESA-N 247.338 2.082 0 40 BEAB C[C@@H](C[C@@H](O)c1ccccc1)NCc1ncc[nH]1 95978174 SKAGLMUJGKMDRO-WCQYABFASA-N 245.326 2.012 0 40 BEAB CC(C)Oc1cc(CNc2ncccn2)ccn1 95973081 MAJRKJAJXJWHPQ-UHFFFAOYSA-N 244.298 2.271 0 40 BEAB C[Si](C)(C)c1c(C=O)ccc(F)c1F 307057082 XBADYVAUAGFHSC-UHFFFAOYSA-N 214.287 2.323 0 40 BEAB CC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 32010174 PELHIDUSZKOBNI-STQMWFEESA-N 203.285 2.445 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nc1C 72218734 XZQNIDNJPUCVFA-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB C[C@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CN 70176829 ADVQKRDOEPCDLT-AAEUAGOBSA-N 238.375 2.153 0 40 BEAB C[C@H](C(N)=O)c1ccc(Br)cc1 83409194 ZWRSIOSZQWOKPB-LURJTMIESA-N 228.089 2.038 0 40 BEAB NCCc1c(F)cccc1C(F)(F)F 44248592 IEXGEVODPMKAMA-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCCCNC1=O 192390557 BKHRNHPVSLCPIK-IJLUTSLNSA-N 238.375 2.069 0 40 BEAB O=Cc1c[nH]c2nc(C(F)(F)F)ccc12 44700141 WGHNSQOZDLSFIL-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB O=C(O)c1c(F)cccc1OC1CCC1 86477907 WVWYFXKYIHOUGP-UHFFFAOYSA-N 210.204 2.455 0 40 BEAB O=C(c1ncco1)c1ccc(F)cc1F 85651166 NJTACQUAWKVSMB-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB CCOC(=O)c1[nH]nc(OCC(C)C)c1Cl 96509294 VXKQAXOBXWOQKS-UHFFFAOYSA-N 246.694 2.275 0 40 BEAB O=C(O)[C@@H]1CCc2sc(-n3cccc3)nc21 96096204 FLLIWODKBVPAGB-SSDOTTSWSA-N 234.280 2.048 0 40 BEAB Oc1nncc2nc(Cl)cc(Cl)c12 95097999 PGBAOFIWHNTNPY-UHFFFAOYSA-N 216.027 2.037 0 40 BEAB Cc1ccc(CN2CCC(CN)CC2)cc1F 96320093 UXCICAMYTVYQNV-UHFFFAOYSA-N 236.334 2.305 0 40 BEAB COC(=O)C1(C(=O)c2ccc(Cl)cc2)CC1 257198264 XQEUFUBYIWVRHB-UHFFFAOYSA-N 238.670 2.476 0 40 BEAB O=c1c2ccccc2sn1[C@H]1CCOC1 281097221 FNCPPQGFVXUBNF-QMMMGPOBSA-N 221.281 2.024 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H](N)C2(CCCC2)C1 82327531 YVIQTBXNODXXGZ-JTQLQIEISA-N 240.347 2.125 0 40 BEAB CSCC[C@@H](C)NC(=O)c1ccccc1O 96412313 TYSUDDXKPJVCRB-SECBINFHSA-N 239.340 2.264 0 40 BEAB CCCCN1CCCC[C@@H]1COC(C)=O 84744472 MIFCWWMWPXVPGE-GFCCVEGCSA-N 213.321 2.204 0 40 BEAB CC1(C)CCC[C@@H]1NCCCO[C@H]1CCOC1 95423740 SDZXPSCUEVAPNU-STQMWFEESA-N 241.375 2.350 0 40 BEAB Cc1ccc(C(=O)c2ccc(N)c(N)c2)cc1 39170295 NUHRRFOSFDPLHM-UHFFFAOYSA-N 226.279 2.390 0 40 BEAB in-vitro O=C(Nc1ccccc1)N1CCCC[C@H]1CCO 6864349 YDKAFKASEDIXBA-ZDUSSCGKSA-N 248.326 2.455 0 40 BEAB CN1CC[C@H](N)[C@H]1c1ccc(Cl)c(F)c1 238855832 SWUYIEMZURPOKG-WDEREUQCSA-N 228.698 2.183 0 40 BEAB in-vitro CCOC(=O)/C=C/c1ccc(OC)cc1OC 15113320 FKXUHAPNEJNLCB-SOFGYWHQSA-N 236.267 2.280 0 40 BEAB CC(C)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C 16125358 NPZQBWOKRKDZQZ-SNVBAGLBSA-N 227.304 2.221 0 40 BEAB O=Cc1n[nH]c2cccc(Br)c12 14983457 DFPWFKJANMVAIA-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro CCNC(=O)Nc1nc(-c2cccnc2)cs1 19529367 IKKOTASPACWECE-UHFFFAOYSA-N 248.311 2.347 0 40 BEAB CCC(C)(C)NC(=O)c1ccc(N)cc1 21953971 OPSBQKCDEPIXJJ-UHFFFAOYSA-N 206.289 2.187 0 40 BEAB in-vitro CC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C 22841313 JTVLQZYLWRVNIH-SECBINFHSA-N 245.319 2.211 0 40 BEAB CC(C)/C=C1/N[C@H](c2ccccc2)OC1=O 100083197 GFCWYYFWAQGXPR-OBIHZWKSSA-N 217.268 2.372 0 40 BEAB CSc1nc(C)cc(N2CC[C@@H](CF)C2)n1 2086918789 DYGRBOWDLMVQGE-VIFPVBQESA-N 241.335 2.303 0 40 BEAB Oc1cccc(CNCCCN2CCCCC2)c1 20128836 CTSFMYZEOHGRQL-UHFFFAOYSA-N 248.370 2.358 0 40 BEAB COC(=O)c1c(C)n[nH]c1-c1cccs1 118523 IGUKTJRPNHRPKC-UHFFFAOYSA-N 222.269 2.233 0 40 BEAB Cc1sc(=[N+]2CCCCC2)sc1C 164078 JZVRLAYJANIZMK-UHFFFAOYSA-N 214.379 2.383 0 40 BEAB CC(C)Cc1ccc([C@](C)(O)C(=O)O)cc1 392246 APEODKDQAWQDLW-ZDUSSCGKSA-N 222.284 2.177 0 40 BEAB in-vitro C[C@H]1Cc2ccccc2N1C(=O)c1cnccn1 410824 OYARWDONJQDSPR-JTQLQIEISA-N 239.278 2.068 0 40 BEAB Cc1ccc(CN2C(=O)CSC2=O)cc1 1100088 LCWXKXQNPIDGOK-UHFFFAOYSA-N 221.281 2.190 0 40 BEAB CN1C(=O)C(C)(C)CN(c2ccccc2)C1=S 1611988 IVQCNOMXIJPAFN-UHFFFAOYSA-N 248.351 2.276 0 40 BEAB COc1cc2ccc(=O)oc2c(C(C)=O)c1OC 2562446 NOPAMSBRHITOGE-UHFFFAOYSA-N 248.234 2.013 0 40 BEAB biogenic CC(=O)OC[C@]1(C)COc2ccccc2S1 5378742 SCMKSNUQGOFWCO-GFCCVEGCSA-N 238.308 2.493 0 40 BEAB C[C@H]1Cn2c(Cc3ccccc3)nnc2S1 6481664 OXSIOMYHMIOJAN-VIFPVBQESA-N 231.324 2.363 0 40 BEAB Fc1ccc(COn2nnc3ccccc32)cc1 9219227 LXEWKTMVVQPEEA-UHFFFAOYSA-N 243.241 2.199 0 40 BEAB CC(C)c1ccc(N2C[C@H](CO)CC2=O)cc1 11893519 HYDBVOZAWMQMSG-LLVKDONJSA-N 233.311 2.155 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 14788450 OEEZXWYOYOXHMF-LDYMZIIASA-N 233.267 2.068 0 40 BEAB COc1cc(Cl)c(OC)c2sc(=O)[nH]c12 14985092 AOALCAWMNKBKDU-UHFFFAOYSA-N 245.687 2.260 0 40 BEAB O=C(O)[C@](O)(c1ccccc1)c1ccsc1 16972281 NGRIKMVPULGUNF-LBPRGKRZSA-N 234.276 2.069 0 40 BEAB NCCSc1ccc(C(F)(F)F)cn1 19817959 MBIGVCDLHXGVTN-UHFFFAOYSA-N 222.235 2.151 0 40 BEAB CC(C)=CC(=O)NCc1ccc2c(c1)OCCO2 23711803 CSCXYOMMYQBHMC-UHFFFAOYSA-N 247.294 2.040 0 40 BEAB OCc1nccn1Cc1ccccc1Cl 26473962 KEJGSFHTAROETN-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB O=C(c1ccc(F)cc1)N1CCSC1=S 26476406 KSNYEMCADDCKOJ-UHFFFAOYSA-N 241.312 2.300 0 40 BEAB CCc1n[nH]c(N)c1-c1ccccc1F 26511327 GZZOOOXTRUFYAC-UHFFFAOYSA-N 205.236 2.360 0 40 BEAB O=C(Nc1ccc(-n2ccnc2)nc1)C1CCC1 28093327 XOLGMCGMVBJJMB-UHFFFAOYSA-N 242.282 2.006 0 40 BEAB O[C@@H](CNCc1ccccc1)c1ccco1 32013184 NWMGVDCFKHVCDX-LBPRGKRZSA-N 217.268 2.103 0 40 BEAB in-vitro NC[C@H](c1ccc(Cl)cc1)N1CCCC1 32445520 UZOHZMOJLIOLON-GFCCVEGCSA-N 224.735 2.436 0 40 BEAB in-vitro CC[C@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C 32899812 SEWUZTWDSHAJJR-QMMMGPOBSA-N 246.314 2.261 0 40 BEAB CN(C)Cc1ccccc1C1CCNCC1 33487512 KWXAMEVWUUGFLX-UHFFFAOYSA-N 218.344 2.215 0 40 BEAB N[C@@H](CCc1ccccc1)c1cnccn1 37467150 BLOQFLXXPMGPFN-LBPRGKRZSA-N 213.284 2.109 0 40 BEAB CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 38832109 RVRJKPLQJNGCME-UHFFFAOYSA-N 246.354 2.278 0 40 BEAB CCc1c(C(=O)O)cnn1C1CCCC1 40927479 DACPZVLRBMREGM-UHFFFAOYSA-N 208.261 2.259 0 40 BEAB in-vitro COc1ccc(COCC(=O)OC(C)C)cc1 42255258 FBBFCZWEQKSRAL-UHFFFAOYSA-N 238.283 2.163 0 40 BEAB in-vitro CCN(CC)C(=O)Cc1ccccc1F 46870021 XNPXXBRQLRACRG-UHFFFAOYSA-N 209.264 2.237 0 40 BEAB CC(C)NC(=O)Nc1ccc(F)c(F)c1 47463706 WPPFUVHTGHLSMG-UHFFFAOYSA-N 214.215 2.495 0 40 BEAB Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)no1 47464485 CFLCCUJLMSZVKY-IUCAKERBSA-N 222.288 2.101 0 40 BEAB Cc1ccc(CNC(=O)c2ccc(C)nc2)cn1 47556765 NTBCLDHDUFKZCR-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB C[C@@H](NC(=O)OCC(F)(F)F)c1ccncc1 48300889 IXTOVYGLRSQHFZ-SSDOTTSWSA-N 248.204 2.431 0 40 BEAB Cc1ccc(F)cc1NCc1ncc[nH]1 49714580 GAFJNHKDIBKFPM-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB C[C@@]1(c2c(F)cccc2F)C[C@@H]1C(=O)O 52126511 KEZWLMCNLNEKOA-KSBSHMNSSA-N 212.195 2.327 0 40 BEAB in-vitro Cc1ccoc1C(=O)N(C)[C@H](C)C1CC1 58308776 VAMZWKSMYGNFLJ-SECBINFHSA-N 207.273 2.459 0 40 BEAB Cn1ccnc1CSc1ccccn1 59337793 LJLYBANAYXBDOW-UHFFFAOYSA-N 205.286 2.107 0 40 BEAB CCCNC(=O)Cn1cc(-c2ccccc2)cn1 65592714 CQOICDOKSMMNRE-UHFFFAOYSA-N 243.310 2.076 0 40 BEAB c1cc(N2CCCC2)ncc1[C@H]1CCCN1 72215905 RUXOOJLVDPWHMV-GFCCVEGCSA-N 217.316 2.106 0 40 BEAB c1ccc(CN2CC[C@H](c3ccn[nH]3)C2)cc1 72381196 GAOZLGRWWNZPDZ-ZDUSSCGKSA-N 227.311 2.399 0 40 BEAB COc1cccc(NC(=O)[C@H]2CCCCCN2)c1 83896429 UKHXIDNZFPRNPV-CYBMUJFWSA-N 248.326 2.166 0 40 BEAB CC1(C)[C@@H](N)C[C@H]1OCc1ccccc1 85520713 CXYDSYBZISZBRQ-NWDGAFQWSA-N 205.301 2.329 0 40 BEAB in-vitro CCC1CCC2(CC1)O[C@]2(C)C(=O)OC 85657945 GYAWPKCREUQGKJ-CKBZRRDASA-N 212.289 2.287 0 40 BEAB COC(=O)CC(Cl)=C(Cl)Cl 91251960 NNFFDYJYULVSPF-UHFFFAOYSA-N 203.452 2.435 0 40 BEAB CCc1nsc(N[C@@H]2CCCC[C@@H]2CO)n1 92656453 FZLSSYWMGPCOOM-RKDXNWHRSA-N 241.360 2.064 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(-c2ccc(F)cc2)n1 95534693 NTQMZAIAUCPJTP-SNVBAGLBSA-N 234.278 2.267 0 40 BEAB COc1ccc(CCCN2CCC[C@H](N)C2)cc1 96523529 MEMLZBJRSGVPGS-AWEZNQCLSA-N 248.370 2.051 0 40 BEAB COc1cccc(CCN2CCCC[C@@H]2CN)c1 96523574 XQADNWWCRYWHHG-CQSZACIVSA-N 248.370 2.051 0 40 BEAB CCNC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 98013997 QRVPOMSSPMEJKM-DGCLKSJQSA-N 248.326 2.178 0 40 BEAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C)[C@H]1[C@H]2C 100743946 XECHVXPHGHIOKX-ZOLYEBIHSA-N 210.317 2.232 0 40 BEAB biogenic Cn1nc(O)c2cc(NC(=O)C(C)(C)C)ccc21 257173310 JGHYELFXHIEBNK-UHFFFAOYSA-N 247.298 2.264 0 40 BEAB Cc1ncn(CCC2CCOCC2)c1C 292753600 WZGMZJLZMWSIBH-UHFFFAOYSA-N 208.305 2.317 0 40 BEAB FC(F)(F)c1cccnc1O[C@H]1CCOC1 585654972 OYYVPDOOTFLQOG-ZETCQYMHSA-N 233.189 2.268 0 40 BEAB COc1cc2cc(C=O)cnc2c(OC)c1OC 685937148 BVCOUWULXDLEOL-UHFFFAOYSA-N 247.250 2.073 0 40 BEAB CCCCC[C@@H](C)NC(=O)[C@H]1CCOC1 69314095 SRRBAGXXJFANTJ-MNOVXSKESA-N 213.321 2.108 0 40 BEAB CCOC(=O)COc1ccc2c(c1)CCC2 1459117 VSLWQMNRYXBUGY-UHFFFAOYSA-N 220.268 2.117 0 40 BEAB Cc1cc(C)cc(CN2CCC[C@@H]2C(=O)O)c1 8301031 PEZOKWHYELQTBE-CYBMUJFWSA-N 233.311 2.352 0 40 BEAB OCc1cnn(-c2ccccc2)c1C(F)(F)F 21304047 MKCVZJGVLCKGLS-UHFFFAOYSA-N 242.200 2.383 0 40 BEAB CC(C)(C)[S@](=O)Cc1cccc(N)c1 42372883 ULALEJRMTPYQIP-AWEZNQCLSA-N 211.330 2.316 0 40 BEAB in-vitro Cc1cc(C(=O)O)nn1-c1ccc(F)cc1F 54622253 JCFLRJYOZOUBEK-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](O)c1ccccc1 34799537 SKQYQIMZWAEHGC-KWCYVHTRSA-N 247.338 2.415 0 40 BEAB Oc1c2c(nn1-c1ccccc1)CCCC2 100070125 BEORIYFJWKHSQW-UHFFFAOYSA-N 214.268 2.457 0 40 BEAB CC[C@@H](NC)c1cc(OC)ccc1OC 20265022 JUWXRKAQXLRMLH-LLVKDONJSA-N 209.289 2.374 0 40 BEAB O=C(NCC1CCC1)c1noc2c1CCCC2 56992748 CJKUPSSOJXITIY-UHFFFAOYSA-N 234.299 2.083 0 40 BEAB CCOC(=O)[C@H]1CCCc2scnc21 108276130 CZWCQRFMTZHZLB-ZETCQYMHSA-N 211.286 2.126 0 40 BEAB COC(=O)c1ccc(OCc2cc(C)on2)cc1 48264663 QCDLTWNKOMRVBW-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB CCc1n[nH]c(CCc2ccc(OC)cc2)n1 48630711 CSJXKQOYYJSQFA-UHFFFAOYSA-N 231.299 2.161 0 40 BEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC1 49890168 BMBWALWZTBEFIF-ZETCQYMHSA-N 241.237 2.011 0 40 BEAB C[C@@H]1CC[C@H](NCCO)c2ccccc21 96033277 WISRJPYWVVFHGZ-MFKMUULPSA-N 205.301 2.207 0 40 BEAB CC(C)(C)CCCCNC(=O)[C@@H]1CCCO1 71847588 XYDWZNKDPUQNAH-NSHDSACASA-N 227.348 2.498 0 40 BEAB C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccncc1 97096324 OKEIJSBULLVRDS-WCQYABFASA-N 247.342 2.188 0 40 BEAB CCOc1cccc(NC(=O)[C@H]2C[C@H]2C)n1 76093331 JPUURTLIXAVHNS-BDAKNGLRSA-N 220.272 2.075 0 40 BEAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CC1 95453698 DSCAPUXXJHIVKL-NSHDSACASA-N 248.330 2.035 0 40 BEAB CN(Cc1nccs1)C[C@@H]1CCCOC1 95426337 STVPSIWMQYIPAA-JTQLQIEISA-N 226.345 2.002 0 40 BEAB CC(C)c1nc2c(C(=O)O)cccc2[nH]1 62136960 RKFFMBLKMOKZJA-UHFFFAOYSA-N 204.229 2.385 0 40 BEAB O[C@H](Cc1ccccc1)[C@H](O)c1ccccc1 1589747 NCCYBEZNRYYHRY-HUUCEWRRSA-N 228.291 2.324 0 40 BEAB biogenic CCN1CCC[C@H]1c1ccc(N)nc1C 72218552 WODJHSIWXJQFLJ-NSHDSACASA-N 205.305 2.129 0 40 BEAB c1ccc(CN2CCNC[C@@H]2C2CCC2)cc1 1536222085 WONPNNOADUCNLM-OAHLLOKOSA-N 230.355 2.261 0 40 BEAB CCOC(=O)c1nnc(C2CCCC2)s1 72206861 GPCQBJLAAQZTKC-UHFFFAOYSA-N 226.301 2.372 0 40 BEAB Cc1cc(Cl)cc(=O)n1Cc1ccco1 217582526 DCAKVFOJWHIUAL-UHFFFAOYSA-N 223.659 2.451 0 40 BEAB CC(C)CN1C(=O)CCc2cc(N)ccc21 35322753 AFGKBURVZAUWLR-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB CC(=O)N1CCC[C@H]1c1cnc(N(C)C)cc1C 72218673 AOLUHJBEGLNLGT-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB O=C(Cc1ccccc1Cl)[C@H]1CCOC1 48627338 WKELVGDAWDAQFI-JTQLQIEISA-N 224.687 2.488 0 40 BEAB CC(C)c1ccc(N2C[C@@H](CO)CC2=O)cc1 11893514 HYDBVOZAWMQMSG-NSHDSACASA-N 233.311 2.155 0 40 BEAB CC(=O)N1CC[C@H](c2nc3cc(C)ccc3o2)C1 49168656 WILGODWFGOVVDR-NSHDSACASA-N 244.294 2.472 0 40 BEAB biogenic,in-vitro Cc1cc(N)n(-c2cc(F)cc(F)c2)n1 44920457 AZUXSDNKBBJXSB-UHFFFAOYSA-N 209.199 2.041 0 40 BEAB COC(=O)N1CCc2cc(Cl)ccc21 82533584 IYXFWPVWXUCPRR-UHFFFAOYSA-N 211.648 2.469 0 40 BEAB CC(C)COc1nc(Cl)ncc1F 85754693 BYGAEQWTJICAMO-UHFFFAOYSA-N 204.632 2.304 0 40 BEAB O=c1c2ccccc2[nH]n1-c1ccccc1 84460115 CFNJFZDGHGYAMU-UHFFFAOYSA-N 210.236 2.319 0 40 BEAB Nc1cnn(-c2ccc(Cl)cc2Cl)n1 82349667 FTSNRDUFUKWDMX-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB COc1ccccc1C[C@@H](NC(C)=O)C(C)C 96448310 HTHRBPMQUMZQRG-CYBMUJFWSA-N 235.327 2.398 0 40 BEAB CC[C@@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 148363764 AREPFWVWZHSJPD-RKDXNWHRSA-N 243.303 2.249 0 40 BEAB O=C(O)[C@@]1(Cc2ccco2)C[C@H]2C=C[C@H]1C2 100160680 UXWRUXNPZXHIIV-OUJBWJOFSA-N 218.252 2.489 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)CO 222877015 OVEVDEOBJBFKSD-XQHKEYJVSA-N 213.365 2.418 0 40 BEAB CCc1ccc(NC(=S)NCCOC)cc1 7529077 PDYPXUCZTPWHNE-UHFFFAOYSA-N 238.356 2.182 0 40 BEAB COc1cc(C2(N)CCC2)cc(OC)c1OC 1535894316 GUHPQPOLBQFFOB-UHFFFAOYSA-N 237.299 2.050 0 40 BEAB NC1CCN(Cc2cccc(Cl)c2)CC1 11729467 JOJVQMGXUOSEMA-UHFFFAOYSA-N 224.735 2.263 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 5369270 VUPXFCMAVVIOEV-VNICOLFOSA-N 244.334 2.463 0 40 BEAB Oc1ccccc1/C=C/c1csnn1 5722307 IRINIQUVJSCSIQ-AATRIKPKSA-N 204.254 2.414 0 40 BEAB Cc1ccc(CN2CCCC[C@H]2CN)cc1 19843374 JREOTEGZCVNMIX-AWEZNQCLSA-N 218.344 2.308 0 40 BEAB C/C=C(\C)C(CC)(C(=O)OCC)C(=O)OCC 1716635 NRZOVKFDZXGHJM-UXBLZVDNSA-N 242.315 2.475 0 40 BEAB COc1ccc2c(c1)c(=O)c1ccoc1n2C 265512 XKTZVOMYVJKQTH-UHFFFAOYSA-N 229.235 2.293 0 40 BEAB biogenic CN1CCC[C@]2(CC1)CNCc1ccccc1O2 19588843 RXUUOTBAJOFNFB-HNNXBMFYSA-N 246.354 2.023 0 40 BEAB CC(C)OCCOC(=O)/C=C/c1ccco1 3411523 MDSWQAKUGRQNTK-AATRIKPKSA-N 224.256 2.261 0 40 BEAB Cc1nccc(O[C@@H]2CCCC[C@H]2N(C)C)n1 585652122 KTZYWCIDGCUGCO-VXGBXAGGSA-N 235.331 2.037 0 40 BEAB CC[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 30417 GPNXDVXGUVXYLI-CYBMUJFWSA-N 246.354 2.381 0 40 BEAB CC(C)(C)OC(=O)CC1(O)CCCCC1 1586610 HDJCUAYVAKJGTJ-UHFFFAOYSA-N 214.305 2.413 0 40 BEAB O=Cc1ccc(C=O)c(Br)c1 1621439 YVNJOTVKIMMVLW-UHFFFAOYSA-N 213.030 2.074 0 40 BEAB O=C(O)CCCC(=O)c1ccc(F)cc1F 2378718 PZANFSIBAIORCB-UHFFFAOYSA-N 228.194 2.402 0 40 BEAB c1nc(SC2CCCC2)c2[nH]cnc2n1 4429290 BHOCVNZZUJWSOU-UHFFFAOYSA-N 220.301 2.388 0 40 BEAB CCOC(=O)/C=C(/CC(=O)O)Nc1ccccc1 4823683 RRDNBSNQQVBIHI-LUAWRHEFSA-N 249.266 2.020 0 40 BEAB CCOC(=N)[C@@](F)(C(=O)OCC)[C@@H](C)CC 4896932 IMLWLQBDQNEKQX-GZMMTYOYSA-N 233.283 2.318 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 5576694 ANBDXPWKDSKYHR-KWQFWETISA-N 233.267 2.068 0 40 BEAB CCCCSC1=NN/C(=C2\C=CC=N2)O1 9582348 MLXPCEVERRIBEL-HJWRWDBZSA-N 223.301 2.220 0 40 BEAB CN1CCN(C)c2cc(Br)ccc21 12370219 BVWZHBZUOICVIU-UHFFFAOYSA-N 241.132 2.335 0 40 BEAB Oc1cc(-c2ccc(Cl)cc2)nc2ncnn12 18240802 QZXMHUAMDTUZSL-UHFFFAOYSA-N 246.657 2.150 0 40 BEAB CC(=O)Nc1c(F)c(F)cc(F)c1F 21989468 YACCDYDHWZNJOA-UHFFFAOYSA-N 207.126 2.201 0 40 BEAB COC(=O)c1ccc(-c2ccnc(CO)c2)cc1 32498424 IFZCFLVMYLGNAO-UHFFFAOYSA-N 243.262 2.028 0 40 BEAB O=c1c2nccnc2ncn1C1CCCCCC1 32541263 ZZDOLAPTIYOUHU-UHFFFAOYSA-N 244.298 2.082 0 40 BEAB Sc1nnc(-c2nnc(-c3ccccc3)o2)o1 32627029 SLIOGLRNVAUHMX-UHFFFAOYSA-N 246.251 2.075 0 40 BEAB CCCOc1ccc([C@H](C)NC=O)cc1 36665002 AQJAKCGUYKMZFO-JTQLQIEISA-N 207.273 2.282 0 40 BEAB Fc1cccc(CCNC2=NCCS2)c1 36779918 GNUFHOHWHVVFII-UHFFFAOYSA-N 224.304 2.061 0 40 BEAB in-vitro O=C(O)c1noc(-c2ccc(Cl)cc2)n1 38997808 UHSFRYIYMMSSKC-UHFFFAOYSA-N 224.603 2.088 0 40 BEAB CCONC(=O)CCCc1cccs1 40489435 KUSKKUHAAXLHEG-UHFFFAOYSA-N 213.302 2.139 0 40 BEAB Cc1noc(CN(C)c2ccccc2)n1 42244468 QZSDGXZJSRBJOF-UHFFFAOYSA-N 203.245 2.014 0 40 BEAB Cc1noc([C@H](C)N2CCC(C)CC2)n1 42651749 ZERXJHKDDKNDOB-VIFPVBQESA-N 209.293 2.171 0 40 BEAB COC(=O)C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 45071943 WHYSLOGCGQAEHL-KKFJDGPESA-N 224.300 2.191 0 40 BEAB CCCCCC(=O)Oc1cccc(C(N)=O)c1 47888263 XOQLSLVAENJMTH-UHFFFAOYSA-N 235.283 2.271 0 40 BEAB Cc1csc(NC(=O)CC[C@@H]2CCCO2)n1 48264857 WUCGNZZHWHPCEM-VIFPVBQESA-N 240.328 2.349 0 40 BEAB NCCCc1cnn(-c2ccc(Cl)cc2)c1 54670173 BVHCBONMZQKGER-UHFFFAOYSA-N 235.718 2.417 0 40 BEAB CN(C[C@H]1CCCO1)C(=O)NC1CCCCC1 65517271 LZLGLTMEIOAXQA-GFCCVEGCSA-N 240.347 2.140 0 40 BEAB CC(C)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 67800919 MKWVEGFRVLKKGA-NSHDSACASA-N 242.363 2.241 0 40 BEAB CNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 69452422 BOTHIUZXNHVIOG-ROOOYKNVSA-N 205.257 2.162 0 40 BEAB CCN(C(=O)[C@H](C)CSC)c1ccncc1 71910399 VNDMCTRJOYZBNP-SNVBAGLBSA-N 238.356 2.434 0 40 BEAB Cc1cc(C(=O)O)cnc1N1CCCCCC1 72222479 LGNJFTUGGBICHH-UHFFFAOYSA-N 234.299 2.469 0 40 BEAB Cn1cnnc1[C@@H]1CCCN(C2CCCCC2)C1 72356839 MEQDLBPKFJVKHZ-GFCCVEGCSA-N 248.374 2.327 0 40 BEAB O=C(COC1CCC1)OCc1ccccc1 77011627 KUYWMBMETZVYBY-UHFFFAOYSA-N 220.268 2.299 0 40 BEAB CN[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79437038 QMXDBAIQSFJAPO-ZJUUUORDSA-N 228.336 2.042 0 40 BEAB Brc1ccc([C@H]2CCN2)cc1 83967872 KJWNZTPBMDNIPA-SECBINFHSA-N 212.090 2.484 0 40 BEAB in-vitro Cc1cc(-c2nc(-c3cnccn3)no2)c(C)o1 84510960 BYPBZNZVUMMFBE-UHFFFAOYSA-N 242.238 2.403 0 40 BEAB COc1ccc(F)c([C@@H](O)C(F)(F)F)c1 84933510 QMLMPVPNDJGQQI-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB Nc1ccccc1-c1nnc([C@@H]2CCCO2)o1 85386212 MMWKGNOYQKKOQY-JTQLQIEISA-N 231.255 2.170 0 40 BEAB CCc1nsc(SCc2ccon2)n1 89295705 QGUJRNMASMSFJU-UHFFFAOYSA-N 227.314 2.381 0 40 BEAB O=C1CCN([C@@H]2CCCc3ccccc32)C(=O)N1 94204315 LFDJNKBFDNEADE-GFCCVEGCSA-N 244.294 2.006 0 40 BEAB CC(C)C[C@H](C)N[C@H](C)CC(=O)NC(C)C 95423366 BCTUEEDKFRXWMY-NWDGAFQWSA-N 228.380 2.314 0 40 BEAB CC(C)(CCO)CNC[C@@H]1CC=CCC1 95434071 UHHPQXOMGSBNRQ-GFCCVEGCSA-N 211.349 2.341 0 40 BEAB CCC[C@@](C)(COC(N)=O)COC(=O)OCC 95917749 MXHBFBLYKZWOBX-NSHDSACASA-N 247.291 2.061 0 40 BEAB CC(C)c1nnc(CS[C@@H](C)CCO)o1 96430207 HSUBCPGOMPEJDD-QMMMGPOBSA-N 230.333 2.197 0 40 BEAB CSC1=NCCN1C(=O)Cc1ccc(C)cc1 98018661 BXRFIMILBAQOHN-UHFFFAOYSA-N 248.351 2.099 0 40 BEAB N#Cc1c(Br)ccc2[nH]nc(F)c12 146283724 ITIZOJJNQQWPCI-UHFFFAOYSA-N 240.035 2.336 0 40 BEAB COC(=O)c1ccc(OC(F)F)c(F)c1 147793996 FBVZVAWSZDBEND-UHFFFAOYSA-N 220.146 2.214 0 40 BEAB C[C@H]1C[C@H](N[C@H](C)C[S@@](C)=O)CC[C@H]1C 195565677 POBCSSLFHBCOJT-NVGYGPBWSA-N 231.405 2.168 0 40 BEAB FC(F)Cn1ccc(CNCc2ccco2)n1 256049759 BIOVTVTYFFDRAU-UHFFFAOYSA-N 241.241 2.031 0 40 BEAB CC1(C2(NC(=O)[C@H]3CCSC3)CC2)CC1 334748344 IJUWMUASHNJJBZ-VIFPVBQESA-N 225.357 2.188 0 40 BEAB Cc1ccc(-c2noc([C@@H]3[C@H]4COC[C@H]43)n2)s1 664900807 AZWSUBZVCQWTGZ-MBTKJCJQSA-N 248.307 2.466 0 40 BEAB NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775977096 FXKWSQSLUPJGKA-LBPRGKRZSA-N 219.309 2.407 0 40 BEAB Cn1c(-c2ccc[n+](C)c2)nc2ccccc21 50725 PCSQOZWKGAOSAF-UHFFFAOYSA-N 224.287 2.065 0 40 BEAB COc1ccc2c(c1)OC(C)(C)CC2=O 163342 QXKXYXNEOUCMIY-UHFFFAOYSA-N 206.241 2.439 0 40 BEAB in-vitro CC(C)(C)OC(=O)C[C@H](O)c1ccccc1 1555464 VROUOYSBYGPRJC-NSHDSACASA-N 222.284 2.452 0 40 BEAB CCOC(=O)[C@H](c1ccccc1)C(C)(C)O 2043243 HIMQJWDCEZNEAN-NSHDSACASA-N 222.284 2.104 0 40 BEAB CC[C@@]1(C)NC(=O)N(Cc2ccccc2C)C1=O 3345247 BMPGALAYMDPMHS-CQSZACIVSA-N 246.310 2.216 0 40 BEAB Clc1nc(NCc2ccco2)c2nc[nH]c2n1 4806105 QGUOPVCOXHVPJX-UHFFFAOYSA-N 249.661 2.211 0 40 BEAB in-vitro O=C1C2=[N+](CCCC2)Cc2sccc21 8861888 YYCATTJBUDWNCK-UHFFFAOYSA-N 206.290 2.082 0 40 BEAB CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 11535544 CATMPQWCQFUKSU-SECBINFHSA-N 227.267 2.160 0 40 BEAB Cc1cnc(C(=O)N(C)Cc2ccccc2)cn1 12984609 QZYAHRLDQGKUAI-UHFFFAOYSA-N 241.294 2.057 0 40 BEAB Cc1ccc([C@H](CC(=O)O)NC(=O)C2CC2)cc1 13181426 SLUWGEODRZLBBZ-LBPRGKRZSA-N 247.294 2.037 0 40 BEAB CCC1(CC)NC(=O)N(c2ccccc2)N1 13547339 VKBZLWXNYSFLIE-UHFFFAOYSA-N 219.288 2.237 0 40 BEAB CCN(CC)S(=O)(=O)c1cc(C)ccc1C 13939786 PHWAYFLEWWELMH-UHFFFAOYSA-N 241.356 2.334 0 40 BEAB Cc1ccc(OCCCC(=O)NC2CC2)cc1 14396772 FTHXMGJSHIFPBE-UHFFFAOYSA-N 233.311 2.433 0 40 BEAB COC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 16958015 IJIUJEPORWHICY-SNVBAGLBSA-N 208.257 2.244 0 40 BEAB CC(C)(C)C(=O)N1CCc2ccc(N)cc21 19874670 JNEVETWNWHUFDQ-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB CCCN1CCC(NCCc2ccccn2)CC1 19916425 PZPDNJDQOAJWBJ-UHFFFAOYSA-N 247.386 2.088 0 40 BEAB CC1CCN(C(=O)Cc2ccccc2N)CC1 20155697 JFROTWCBNDAIEE-UHFFFAOYSA-N 232.327 2.070 0 40 BEAB O=C(Nc1ccncc1)c1cc(Cl)c[nH]1 32726154 XEUOPLFOCFIFIW-UHFFFAOYSA-N 221.647 2.315 0 40 BEAB C[C@H](CC(=O)O)NC(=O)CCC1CCCCC1 37416766 IWEPDAAAEGXPNG-SNVBAGLBSA-N 241.331 2.326 0 40 BEAB COc1ccccc1CN(CCC(=O)O)C1CC1 37594259 JMRTUMHTXLPGMA-UHFFFAOYSA-N 249.310 2.134 0 40 BEAB C[C@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 38101386 WDXGFCJXRXEWOQ-DTWKUNHWSA-N 240.734 2.207 0 40 BEAB CC1(CC(=O)c2ccccc2)OCCO1 39398435 QLKVAJPWDWQQJX-UHFFFAOYSA-N 206.241 2.022 0 40 BEAB Cc1ccccc1CN1CCO[C@H](C)C1 40479441 JOYPSGXDSFWWAH-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB CCCN1CCN(c2cccc(OC)c2)CC1 40835993 XSWNCWHBCPRVSC-UHFFFAOYSA-N 234.343 2.227 0 40 BEAB O=C1NC[C@H](c2ccc(Br)cc2)O1 41286225 FWGFASQLOPSRHI-MRVPVSSYSA-N 242.072 2.230 0 40 BEAB CCCNC(=O)CSCc1c(C)noc1C 41294758 SSCRUPDCHYLTLF-UHFFFAOYSA-N 242.344 2.051 0 40 BEAB CN(C)c1ccccc1C(=O)C(F)(F)F 43505009 UFTIIWQIDKHVJL-UHFFFAOYSA-N 217.190 2.498 0 40 BEAB COc1cccc(C(=O)c2ccccc2OC)n1 45028713 HUFJUHRUZJOGMT-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB CN(C)C(C)(C)CNc1ncnc2ccccc12 48936215 LBKPWNZGKGNWNB-UHFFFAOYSA-N 244.342 2.382 0 40 BEAB CN(CCCCNC(=O)C1CC1)c1ccccc1 53210063 QJJJQKKARLBUME-UHFFFAOYSA-N 246.354 2.429 0 40 BEAB COC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1 58280038 VUWPFYZSSCOZDN-SECBINFHSA-N 240.278 2.291 0 40 BEAB FC(F)Oc1ccccc1OC[C@@H]1CO1 60198534 DAHPARGKQAOYKA-ZETCQYMHSA-N 216.183 2.066 0 40 BEAB C[C@H](c1cccc(Cl)c1)N(C)CC(=O)O 62015242 XZPORNPFGDMVGS-MRVPVSSYSA-N 227.691 2.417 0 40 BEAB CCc1ccc(O)c(C(=O)CCC(=O)O)c1 62714222 ZBKCHVOZOUGJQH-UHFFFAOYSA-N 222.240 2.002 0 40 BEAB COc1ccc([C@H]2[C@H](CO)CCCN2C)cc1 68592564 FGKFSGZEKVATDB-JSGCOSHPSA-N 235.327 2.070 0 40 BEAB CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 69553826 MWOMAVYZRMNVDD-RKDXNWHRSA-N 245.319 2.401 0 40 BEAB O=C(C[C@H]1CCCCCN1)c1ccco1 75092830 ZXAFFBXMXPQGPF-SNVBAGLBSA-N 207.273 2.385 0 40 BEAB in-vitro O=C1NCC[C@@H]1Cc1ccc(C(F)(F)F)cc1 75172892 KRSOZISQAWZHPG-SECBINFHSA-N 243.228 2.384 0 40 BEAB Cc1ccsc1-c1cc(C(=O)O)no1 84199316 TWZKCINWWHFTBJ-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB O=C(O)C1(COc2ccccc2F)CCC1 85390447 RRCZHZXSWLZJDK-UHFFFAOYSA-N 224.231 2.459 0 40 BEAB c1ccc(CN2CC[C@H](c3cnccn3)C2)cc1 90751644 AIERXDIIGHBOFY-AWEZNQCLSA-N 239.322 2.466 0 40 BEAB O=c1[nH]cc(Br)c2c(F)cccc12 96835777 JCBIPKKIGJQGCM-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB O=C(CC(=O)c1ccco1)c1ccccn1 100477499 UOPXXVAHYNKLAA-UHFFFAOYSA-N 215.208 2.130 0 40 BEAB in-vitro CCOCCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105700108 IASYSTSDVCGLNU-RWMBFGLXSA-N 239.359 2.356 0 40 BEAB COc1cc(OCc2ccccn2)ccc1C=O 146459626 JJBZSLAQDWDRGJ-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB COc1ccc([C@@H](NN)c2cccs2)cc1 161785876 OIIDSHCAGMWTKB-GFCCVEGCSA-N 234.324 2.309 0 40 BEAB CCc1ccc([C@@H](NN)C(F)(F)F)cc1 161797283 WCAJMBILGGZNEL-SECBINFHSA-N 218.222 2.316 0 40 BEAB O=C(O)[C@@H]1CCC2(C1)SCCS2 217904180 DWYZQVWIRSAKFG-ZCFIWIBFSA-N 204.316 2.047 0 40 BEAB Cc1ncc(C(=O)Nc2ccccc2F)cn1 222588113 JFADCKUGRSXGBY-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB COc1ccccc1NC(=O)c1cnc(C)nc1 222589298 IZIFRIUHFREVMB-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB c1cc(N2CCC[C@@H](c3nccs3)C2)ncn1 257278389 OCBFGOJYBGZPHY-SNVBAGLBSA-N 246.339 2.317 0 40 BEAB Cc1ncoc1CN[C@@H]1CC(C)(C)CC[C@H]1O 895439617 DUPSAOOGZLSINX-GHMZBOCLSA-N 238.331 2.012 0 40 BEAB CCC1=C[C@H](c2ccccc2)NC(=S)N1 60951 ARQAZXZMOHLMOZ-LLVKDONJSA-N 218.325 2.499 0 40 BEAB Cc1cnc2ccc(Br)c[n+]2c1C 78045 NEQQYCMBQZLCDM-UHFFFAOYSA-N 238.108 2.200 0 40 BEAB Cc1cc2ccccc2nc1SCC(N)=O 416331 CKRUGJWOBVGSNE-UHFFFAOYSA-N 232.308 2.121 0 40 BEAB COc1cccc2c1OCC(C(=O)OC(C)C)=C2 1388086 XVDZNOUJUOIJQY-UHFFFAOYSA-N 248.278 2.423 0 40 BEAB CCN1CCc2cc(OC)c(OC)cc2C1 1593405 KGMSKRGSHTVCKH-UHFFFAOYSA-N 221.300 2.082 0 40 BEAB CC(=O)OC/C(C)=C\C[C@@H](C)COC(C)=O 1631203 WJQFKEKGHLXYOP-HYHWUIIZSA-N 228.288 2.085 0 40 BEAB O[C@H](c1ccc2cccnc2c1)[C@H]1CCCCN1 1729518 MNCWVFJXBARQLI-UKRRQHHQSA-N 242.322 2.410 0 40 BEAB COc1ccc([C@@H]2OC(=O)c3ncccc32)cc1 2028339 MGMFIAHXYSCLBM-ZDUSSCGKSA-N 241.246 2.350 0 40 BEAB CCOCC(=O)OCc1ccc(Cl)cc1 3254018 SJRUKMILXCKNQK-UHFFFAOYSA-N 228.675 2.420 0 40 BEAB C[C@@H]1[C@@H](C2=CCCN2CCO)[C@H]2CC[C@@H]1C2 4706116 ZKIQIBMWSCOAME-KZVDOYCCSA-N 221.344 2.251 0 40 BEAB CCC(=O)N1CCN(C(=O)CC)c2ccccc21 4945938 ATLZNXXGKFYWKX-UHFFFAOYSA-N 246.310 2.186 0 40 BEAB O=c1[nH]c(Nc2cccc(F)c2)nc2c1CCC2 5009589 KIOINAMWVYFJDZ-UHFFFAOYSA-N 245.257 2.141 0 40 BEAB Nc1ccc(-c2nc3cnccc3[nH]2)cc1 5117211 UOLIKXCOOAWSDS-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB CCOc1ccc2nc(C)cc(NN)c2c1 5845454 IAHYHTQMLUFSMP-UHFFFAOYSA-N 217.272 2.228 0 40 BEAB in-vitro Cc1ccc(/C=C/C(=O)NCc2cccnc2)o1 5935870 MWARITHTQLKVCP-VOTSOKGWSA-N 242.278 2.313 0 40 BEAB Cc1cc(C)c(C(N)=O)c(N2CCCCCC2)n1 8726425 IUQKFQYICJSWDZ-UHFFFAOYSA-N 247.342 2.178 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](O)c1ccccc1 12980901 SKQYQIMZWAEHGC-BNOWGMLFSA-N 247.338 2.415 0 40 BEAB C[C@@H](N)Cc1cn(C)c2ccc(F)cc12 13693543 HRRHRVZKRPMRAV-MRVPVSSYSA-N 206.264 2.207 0 40 BEAB in-vitro NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20154645 DMTCHUMQSJRNHR-UHFFFAOYSA-N 248.307 2.094 0 40 BEAB CCCOc1ccc2c(c1)OC[C@H](C(=O)O)C2 20281621 HTQUFYWZAANEMW-SNVBAGLBSA-N 236.267 2.111 0 40 BEAB COc1ccnc(N2CCc3ccccc32)n1 21963802 NOFAIAWEOUKUQH-UHFFFAOYSA-N 227.267 2.179 0 40 BEAB CC(C)c1nnc(O)c2c1cnn2C(C)(C)C 26421605 LVDANKIJRLFMIV-UHFFFAOYSA-N 234.303 2.410 0 40 BEAB O=C(/C=C/c1ccncc1)NCc1cccs1 32206527 QYAKOCSFDBOEOB-ONEGZZNKSA-N 244.319 2.473 0 40 BEAB CC(C)N1CCO[C@@H](c2ccccc2)C1 33952661 CHHFZVOTWWUPDQ-CYBMUJFWSA-N 205.301 2.468 0 40 BEAB CC[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1 36533488 SSUDXAJZFRPCNY-GFCCVEGCSA-N 228.336 2.125 0 40 BEAB Cc1ccc(CNC2CCN(C)CC2)s1 37248660 SOVDOENKIIKNLW-UHFFFAOYSA-N 224.373 2.240 0 40 BEAB Cc1cc(NC[C@@H](O)c2ccccc2)nc(C)n1 37498685 DMDUUBOPKIZBND-CYBMUJFWSA-N 243.310 2.239 0 40 BEAB OC/C=C\C(F)(F)C(F)(F)Br 38675172 FYUOQYHROIWCQA-UPHRSURJSA-N 236.990 2.158 0 40 BEAB Nc1nn(Cc2ccccn2)c2ccccc12 40449026 AILWAABVUPWNAQ-UHFFFAOYSA-N 224.267 2.062 0 40 BEAB CC(C)CO[C@H](C)C(=O)N(C)[C@@H](C)C1CC1 40521136 SJLRTCYHDDMQPZ-WDEREUQCSA-N 227.348 2.304 0 40 BEAB O=C(c1ccc(Cl)nc1)c1nccs1 43210269 XGEAHBAEECOIQL-UHFFFAOYSA-N 224.672 2.423 0 40 BEAB Cn1ccc(NC(=O)CCc2ccc(F)cc2)n1 44873063 VGBGJETYNAWFFI-UHFFFAOYSA-N 247.273 2.131 0 40 BEAB CC(C)CCNCCC(=O)OC(C)(C)C 47218964 NCJKQRDFUQWKDG-UHFFFAOYSA-N 215.337 2.354 0 40 BEAB C[C@@H](NC(=O)C1CCC1)c1cccnc1 48325890 XBUQULQPLCYUSL-SECBINFHSA-N 204.273 2.059 0 40 BEAB c1ccc(CN2C[C@@H]3CCC[C@H](C2)N3)cc1 48985096 FYSCXTRDKBSUBL-OKILXGFUSA-N 216.328 2.013 0 40 BEAB C[C@H](O)[C@H](CCCc1ccccc1)C(=O)O 59705280 LXZZBKVFUSJZKV-JQWIXIFHSA-N 222.284 2.091 0 40 BEAB in-vitro O=C(O)CCC(=O)c1ccc(-c2cc[nH]n2)cc1 67947134 BSDJGMFUAYMJSQ-UHFFFAOYSA-N 244.250 2.124 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCCc2ncccc21 69514793 OLAMLSJLYGEJSG-UWVGGRQHSA-N 216.284 2.017 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@]12CCNC2 71373400 HNBZGZYLHSUROS-GXFFZTMASA-N 240.347 2.043 0 40 BEAB Cc1noc(-c2ccsc2)c1CC(=O)O 72324015 SXFHWTAYSAJTKH-UHFFFAOYSA-N 223.253 2.339 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCc1ccccc1F 72411144 BSEBPYRQKRQSIO-OLZOCXBDSA-N 222.307 2.185 0 40 BEAB Cc1ccc(N2CCC(C(=O)O)CC2)cc1 82537250 WTDYDDZGBUZEEB-UHFFFAOYSA-N 219.284 2.296 0 40 BEAB O=C(O)CC1(C(F)(F)F)SCCS1 83255201 WYDRKVBAOAEVFH-UHFFFAOYSA-N 232.248 2.200 0 40 BEAB in-vitro CNCc1ccc(C)cc1Br 83347686 BQIBZYQNVAHVQZ-UHFFFAOYSA-N 214.106 2.477 0 40 BEAB CNc1cc(NCCc2cccs2)ncn1 87808266 ZATKIPDPGRJVPU-UHFFFAOYSA-N 234.328 2.234 0 40 BEAB Fc1cccc(N2CCC(N3CCCC3)CC2)n1 96453548 CMEVJFLYEAZBQW-UHFFFAOYSA-N 249.333 2.285 0 40 BEAB Cc1c(Br)cnc(N)c1Cl 98175516 DNQBPTJDPUCOOZ-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB Cc1ccc(CN[C@H]2CC[C@H](N)CC2)cc1 100809903 FXIYNHDDIIOWCV-OKILXGFUSA-N 218.344 2.355 0 40 BEAB CC1(C)C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 217763968 YSBZINBIZFCHTH-VHSXEESVSA-N 243.347 2.451 0 40 BEAB Fc1ccc(F)c(N2CCN[C@@H]3CCC[C@@H]32)c1 225717509 SKVSERVTWVFWIX-NEPJUHHUSA-N 238.281 2.296 0 40 BEAB OC[C@@H]1CN(C2CCCC2)C[C@H]1C(F)(F)F 640044403 QQVDYAIEFOZEGP-WCBMZHEXSA-N 237.265 2.032 0 40 BEAB COC(=O)CC(=O)c1cnc(Cl)cc1Cl 1536160933 SFEHETKKBUVWCJ-UHFFFAOYSA-N 248.065 2.134 0 40 BEAB COc1ncc(S)cc1Br 1951761527 JWOUUULNNHXKJO-UHFFFAOYSA-N 220.091 2.141 0 40 BEAB O=C1c2cccnc2C(=O)N1C1CCCCC1 251877 QDXKFLMQKVEENF-UHFFFAOYSA-N 230.267 2.010 0 40 BEAB c1cnc2c(c1)N[C@H](c1ccc3c(c1)OCO3)N2 1237157 GSKFJRQCTMNMBE-LBPRGKRZSA-N 241.250 2.347 0 40 BEAB O=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 1453006 TYLZVLVSYYQUKZ-MRVPVSSYSA-N 241.699 2.234 0 40 BEAB Cc1ccccc1[C@@](O)(C(=O)O)c1ccccc1 2042121 AEIGUJIDYBREEB-OAHLLOKOSA-N 242.274 2.316 0 40 BEAB COP(=O)(OC)C(=O)c1ccc(F)cc1 2569997 AOMOIEPEHIDSOY-UHFFFAOYSA-N 232.147 2.452 0 40 BEAB CC(C)C(=O)Nc1nnc(C2CC2)s1 3252783 SBESGDZIKLSDRB-UHFFFAOYSA-N 211.290 2.010 0 40 BEAB O=C(O)CSc1cc(F)ccc1F 4207155 RRXDCAAAPFQWKI-UHFFFAOYSA-N 204.197 2.142 0 40 BEAB O[C@@H]1[C@@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 5382561 OTFFUZVPVSDGHV-QNWHQSFQSA-N 209.333 2.022 0 40 BEAB CC(C)(C)OC(=O)C[C@@H](O)c1ccccc1 5434527 VROUOYSBYGPRJC-LLVKDONJSA-N 222.284 2.452 0 40 BEAB O=C(O)[C@H]1CCCN1CC1CCCCC1 8699067 XRYRJXQJSTWFDB-LLVKDONJSA-N 211.305 2.116 0 40 BEAB Cc1ccccc1-c1nnc([C@@H](C)N)o1 11586079 SPXSCCMLXDRMEW-MRVPVSSYSA-N 203.245 2.065 0 40 BEAB COc1ccc([C@H](N)c2ccccn2)cc1 11737334 YDPKXALAYGLYAZ-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB CCN(C(=O)[C@@H](N)C(C)C)c1ccccc1 11958592 IBPPEKALQZPIFM-LBPRGKRZSA-N 220.316 2.023 0 40 BEAB CC[C@@H](Cc1cccc(OC)c1)C(=O)O 11976774 FZDIEJDNANEDQM-JTQLQIEISA-N 208.257 2.349 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 12906107 LVMKFVMSABFWRQ-QMMMGPOBSA-N 248.282 2.002 0 40 BEAB CC(=O)c1c(C)nc(N2CCCCC2)nc1C 13640216 GFGKJNMRMUAZCP-UHFFFAOYSA-N 233.315 2.286 0 40 BEAB CNC(=S)N1CCC[C@H]2CCCC[C@H]21 16189323 LHMJIHHBJYOSAL-NXEZZACHSA-N 212.362 2.145 0 40 BEAB Cc1[nH]c2nc(C3CCCCC3)nn2c(=O)c1C 17057526 SVBOMWUCYASMPR-UHFFFAOYSA-N 246.314 2.082 0 40 BEAB O=C(NCc1ccc(F)cc1)c1ccoc1 18185274 MYBINMMFUMMQGO-UHFFFAOYSA-N 219.215 2.349 0 40 BEAB CCC(CC)N1CCN(Cc2ccncc2)CC1 19361970 LVDXKNPIUHJCGF-UHFFFAOYSA-N 247.386 2.388 0 40 BEAB CCCc1noc(-c2ccc(N)cc2)n1 22119822 QKQZNORDNDLOTR-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB Cc1ccc(-c2csc3nc(N)nn23)cc1 31891204 REHSRIYXCHRWMB-UHFFFAOYSA-N 230.296 2.348 0 40 BEAB Cc1ccccc1CN(CC(=O)O)C(C)C 32013855 XFMDKNZPQQGUGM-UHFFFAOYSA-N 221.300 2.290 0 40 BEAB O=C1OCC[C@@H]1SCc1ccccc1 32666569 BUHIWFOKIGGYTL-JTQLQIEISA-N 208.282 2.235 0 40 BEAB Cc1cc(C)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 32843919 GTNNAWFIMMUUSZ-PHIMTYICSA-N 249.358 2.004 0 40 BEAB O=C(O)c1cc(-c2ccccc2)nc(Cl)n1 33465282 QGZBALBMKGGTRL-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB NC1CCN(c2cccc(Cl)c2)CC1 37483323 VZIXOVBFQLIMME-UHFFFAOYSA-N 210.708 2.268 0 40 BEAB c1ccc(COCC[C@H]2CCNC2)cc1 42784204 GACFOICNHWFXQJ-GFCCVEGCSA-N 205.301 2.203 0 40 BEAB in-vitro CC[C@H](C)NC(=O)NCc1csc(C)n1 42843202 VARGRCPUXAUTQZ-ZETCQYMHSA-N 227.333 2.049 0 40 BEAB COC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1 58280036 VUWPFYZSSCOZDN-VIFPVBQESA-N 240.278 2.291 0 40 BEAB C[C@@H](C1CC1)N(C)CC(=O)N1CCCC[C@H]1C 71838158 LTZBWZMZXFXJMO-NEPJUHHUSA-N 238.375 2.118 0 40 BEAB Cc1noc([C@@H]2CCN(C3CCCC3)C2)n1 72356832 WBSNTULMMPGVAN-SNVBAGLBSA-N 221.304 2.110 0 40 BEAB CCOc1cc(N)ccc1NC(=O)CC 73638384 VUCKNAFFBXCLTR-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB CO[C@@H](CNC(=O)c1ccccc1C)C(C)C 74018200 FKXDPVSAEFMFBX-ZDUSSCGKSA-N 235.327 2.396 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C)c2ccc(F)cc21 81074412 UBFVARLRHWGQHG-ONGXEEELSA-N 248.301 2.265 0 40 BEAB N[C@@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1 91353415 NFWZARAFTINKJK-CHWSQXEVSA-N 248.326 2.183 0 40 BEAB CCCC/C=C/[C@H](O)[C@H]1COC(C)(C)O1 95611659 CIZNIZSFYKXXDY-IAYMVZNDSA-N 214.305 2.245 0 40 BEAB O=C(Nc1ccncc1F)c1cncc(F)c1 97032100 TVRPPDPJYWZDNM-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]12 100078053 ZCJHLBHJGLCVRU-HXVKMORWSA-N 240.302 2.015 0 40 BEAB CCN1C(=O)/C(=C\Nc2ccccc2)OC1=S 101955371 NLLWAHKMYYCRHF-CSKARUKUSA-N 248.307 2.104 0 40 BEAB CC1=C(C)[C@@]2(C)[C@]3(C)C(=O)N[C@@]1(C)[C@]32C 104276677 DAMHKCOHRUYAPL-RVMXOQNASA-N 205.301 2.257 0 40 BEAB Cc1cc(C[S@@](=O)c2ccoc2C)no1 189609206 OWKHDWKJPYSZHK-OAHLLOKOSA-N 225.269 2.192 0 40 BEAB Cc1cc(-c2nccs2)nc([C@@H]2CCCN2)n1 205690540 MNSUSNPNOSUAMQ-VIFPVBQESA-N 246.339 2.333 0 40 BEAB Clc1cnc(O[C@H]2CCSC2)nc1 585650524 AUQBUIVFGVNQOU-ZETCQYMHSA-N 216.693 2.014 0 40 BEAB COCOc1cc(F)c(C(C)=O)c(F)c1 1772715180 QGBVTLNAZFFNQW-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB c1nc(OCC2CCNCC2)cc(C2CCC2)n1 1776001804 MJUBSCOLQSIJSQ-UHFFFAOYSA-N 247.342 2.123 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 1857795732 OEVIFWQPSJCRKT-OLZOCXBDSA-N 233.311 2.419 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc2nc(N)sc2c1 241735 XJTPKTRRDCCDIU-SSDOTTSWSA-N 249.339 2.407 0 40 BEAB Cc1nn(-c2ccccc2)c(Cl)c1CO 536253 MOMLHNYGSVMETK-UHFFFAOYSA-N 222.675 2.326 0 40 BEAB in-vitro COCCOC(=O)c1ccccc1Cl 1586544 LIELFQXNPGTYLH-UHFFFAOYSA-N 214.648 2.143 0 40 BEAB O=S1(=O)c2ccccc2[C@H]2CC=CC[C@@H]21 1667909 AAHUGKYBXQRWHB-PWSUYJOCSA-N 220.293 2.276 0 40 BEAB COc1ccc(N2CC(C)(C)C2=O)cc1 3104467 CKHPCORPMJIGQG-UHFFFAOYSA-N 205.257 2.068 0 40 BEAB Cc1sc2cc(N(C)C)ccc2[n+]1C 3163676 XUQWEJWHJUNCKS-UHFFFAOYSA-N 207.322 2.100 0 40 BEAB CCN(CCO)C(=S)Nc1cccc(C)c1 3307896 KYQQKTXOBMONSN-UHFFFAOYSA-N 238.356 2.006 0 40 BEAB CC(=O)c1cc2c(cc1Cl)OCCO2 4837365 PFZDFVHVKYRYBE-UHFFFAOYSA-N 212.632 2.314 0 40 BEAB Fc1ccc(O[C@@H]2CCCNC2)cc1F 14631818 NDRPULUTXCJBDC-SECBINFHSA-N 213.227 2.096 0 40 BEAB in-vitro O=c1cc(NC2CCCC2)nc2ccccn12 15111243 PDUDMPRSDHLAAF-UHFFFAOYSA-N 229.283 2.049 0 40 BEAB O=C(O)COc1ccccc1CN1CCCCC1 16941956 XVPDUPMPYCFUQM-UHFFFAOYSA-N 249.310 2.136 0 40 BEAB in-vitro NCc1ccccc1-n1cnc2ccccc21 20075929 MNPHNVRAZXCTTJ-UHFFFAOYSA-N 223.279 2.484 0 40 BEAB CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 21787336 GZSLMVKWOQNHHM-LBPRGKRZSA-N 229.283 2.246 0 40 BEAB Cc1cccc(NC(=O)c2cccnn2)c1 22073138 FFCPXFYMTKOXTL-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB C[C@@H](NC(=O)NC1CC1)c1ccccc1 32843681 DVVBIUIDGYUPGM-SECBINFHSA-N 204.273 2.209 0 40 BEAB Nc1ccc(-c2cccc3n[nH]c(N)c23)cc1 35324130 KHQLSBOHZQJRPC-UHFFFAOYSA-N 224.267 2.394 0 40 BEAB in-vivo C1=CC2(CCNCC2)Oc2ccccc21 36141380 KQOCMRACUONAJY-UHFFFAOYSA-N 201.269 2.214 0 40 BEAB Cc1cc(CN(C)C(=O)c2ccsc2)no1 36397927 GKKUIMFIOZXLSM-UHFFFAOYSA-N 236.296 2.317 0 40 BEAB CC(C)Nc1cc(C(=O)O)cc(Cl)n1 36960168 PDWFMBQQKOSNME-UHFFFAOYSA-N 214.652 2.254 0 40 BEAB O=C(O)[C@H](NC1CC1)c1ccc(Cl)cc1 37183649 YQWLYFPXDIHYLF-SNVBAGLBSA-N 225.675 2.218 0 40 BEAB CC(=O)N1CCC(Nc2ccccc2F)CC1 37211174 UBIJEFBFEPJHEZ-UHFFFAOYSA-N 236.290 2.249 0 40 BEAB COc1cc(C=O)c(OC)c2c1CCC2 37627799 AAXQUDKLQGJXAL-UHFFFAOYSA-N 206.241 2.005 0 40 BEAB CCOc1c(F)ccc(C(=O)O)c1F 38529940 KUOUFQUWQYELBO-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB COc1cccc([C@H]2CCCNC2)c1F 38539368 OYSAFOLZYIOWIQ-VIFPVBQESA-N 209.264 2.301 0 40 BEAB Cc1ccc2nonc2c1Br 38885687 DZBIQKCIAMEITM-UHFFFAOYSA-N 213.034 2.294 0 40 BEAB c1nnc(SC[C@H]2CCCCO2)n1C1CC1 40485834 OWJUPVGGZHFYGV-SNVBAGLBSA-N 239.344 2.274 0 40 BEAB CC(=O)c1ccccc1OCC1CCNCC1 42775766 FPQDAFQTJAFACC-UHFFFAOYSA-N 233.311 2.268 0 40 BEAB c1ccc(OCCC[C@H]2CCNC2)cc1 42784176 UCBQZFAIQDCRDU-LBPRGKRZSA-N 205.301 2.455 0 40 BEAB C[C@H](NC(=O)CC(F)(F)F)c1cccnc1 44604020 KSQZTFMCGMXBRJ-ZETCQYMHSA-N 232.205 2.211 0 40 BEAB CCC[C@H](C)C(=O)Nc1ccc(OC)nc1 49909418 VAQFFWKXCSKGGB-VIFPVBQESA-N 222.288 2.465 0 40 BEAB CCOC(=O)c1cccc2c1ccn2C 59080802 MSYUHUDANJNARI-UHFFFAOYSA-N 203.241 2.355 0 40 BEAB CCCCNC(=O)COC(=O)c1ccc(C)cc1 67208113 OFCMFQVGYCHQCP-UHFFFAOYSA-N 249.310 2.068 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCc2cccnc2)c1 69491527 WYCRWWYXPPPNQA-QWHCGFSZSA-N 244.342 2.326 0 40 BEAB CCOc1ccc2[nH]cc(CCO)c2c1 71487234 KXSVLLNXDPCLSE-UHFFFAOYSA-N 205.257 2.101 0 40 BEAB CCCN(C)C(=O)N[C@H](C)COCC(C)C 71924651 OKQLNUPRSBZSRG-LLVKDONJSA-N 230.352 2.099 0 40 BEAB O=C(C1CCC1)N1CCCC[C@@H]1c1ccncn1 72187555 ACKPTLWRXDLZOU-CYBMUJFWSA-N 245.326 2.330 0 40 BEAB CCOc1ccc([C@@H]2CCCN2C)cn1 72211764 VXSBBWMXJVGDCY-NSHDSACASA-N 206.289 2.247 0 40 BEAB c1cc([C@H]2CCCN(CCOCC3CC3)C2)[nH]n1 72296398 UBJLJJGQFDENBT-ZDUSSCGKSA-N 249.358 2.016 0 40 BEAB CC(C)(C)Oc1cccc(CCC(=O)O)n1 75110620 JFFLRQXJXLZTIB-UHFFFAOYSA-N 223.272 2.276 0 40 BEAB in-vitro CC(C)(C)C(=O)NCC[C@@H](O)c1ccccc1 81253779 TVMDFXCXAWYJTH-GFCCVEGCSA-N 235.327 2.272 0 40 BEAB c1coc(CNC[C@H]2CCCn3ccnc32)c1 84432779 HSRGJVOEQOMLFN-LLVKDONJSA-N 231.299 2.143 0 40 BEAB Cc1ccc(-c2ccc(C(=O)O)cc2)nn1 90396283 UWPHHPULQHSQBB-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB NC(=O)c1ccccc1OC1CCCC1 95394829 MZVRISJEIOCFDW-UHFFFAOYSA-N 205.257 2.107 0 40 BEAB Brc1cnc(NC2CC=CC2)nc1 95413921 ZNMUBPSOUFKSLS-UHFFFAOYSA-N 240.104 2.370 0 40 BEAB CCc1nnc(S[C@H](C)C(F)(F)F)n1C 95427491 UOWHFCNIXMUFID-RXMQYKEDSA-N 239.266 2.420 0 40 BEAB c1ccc(-c2nnc(S[C@@H]3CCNC3)o2)cc1 95908584 LVMDRCDQDAJECE-SNVBAGLBSA-N 247.323 2.191 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 100953462 FVDCYOGKIQCTKH-BIIVOSGPSA-N 221.222 2.101 0 40 BEAB COC(=O)c1ccc([Si](C)(C)C)cc1 195826355 AYLOVBNEYSUPQC-UHFFFAOYSA-N 208.333 2.018 0 40 BEAB Cc1nc(C(=O)N(C)Cc2ccccc2F)co1 225890152 CRKOWCASFIALFS-UHFFFAOYSA-N 248.257 2.394 0 40 BEAB CCCCNCc1ccn(CC(F)F)n1 256050972 HFVPZAWYCCKAQO-UHFFFAOYSA-N 217.263 2.038 0 40 BEAB C[C@@H]1NCCn2c(COCC3CCCC3)cnc21 306143265 XXKWOQJYFQMDTK-NSHDSACASA-N 249.358 2.254 0 40 BEAB c1ccc(-c2cccc(C3CNC3)n2)cc1 309153309 LNDFZOZJLQXFHJ-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB CC(C)CCn1cc(Cl)c(CO)n1 685936377 ULGARQRGFTUHGU-UHFFFAOYSA-N 202.685 2.075 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CC2)C[C]1C(=O)O 1560407648 JOERBTPMCJDBRU-UHFFFAOYSA-N 240.279 2.024 0 40 BEAB Cc1ccc2[nH]c3c(N(C)C)ncnc3c2c1 117480 UKBRIGBOECICTE-UHFFFAOYSA-N 226.283 2.486 0 40 BEAB O=C(/C=C/c1ccco1)Nc1ccncc1 368367 MDLIXKWGDZIHFI-ONEGZZNKSA-N 214.224 2.327 0 40 BEAB Nc1nc2cc3nc(N)sc3cc2s1 375167 ALSFHDCCAKIYIQ-UHFFFAOYSA-N 222.298 2.070 0 40 BEAB O=C(CCc1ccccc1)N1CCCC1 1460902 AJQCDEYAAFXBBP-UHFFFAOYSA-N 203.285 2.242 0 40 BEAB biogenic Cc1cccc(OC[C@H](O)CNC2CCCC2)c1 2701419 XYKPJXMVYVLPJN-CQSZACIVSA-N 249.354 2.267 0 40 BEAB CCn1cc(C(=O)N2CCC[C@H](C)C2)c(C)n1 2781570 HULBBYRNEHKHII-JTQLQIEISA-N 235.331 2.084 0 40 BEAB O=C1[C@H]2CCC[C@@H]1CC[C@H]2N1CCCC1 4151633 NCTHTNCTMQAJDU-GRYCIOLGSA-N 207.317 2.230 0 40 BEAB Cc1cc(NC(=O)c2cccc(F)c2)n[nH]1 5401783 FVDYEGZNRJONFD-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)O 6072262 FNZUGHJDLQTKKA-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB O=Cc1c(N2CCOCC2)oc2ccccc12 6598558 XDGYSYZNHIDARI-UHFFFAOYSA-N 231.251 2.082 0 40 BEAB O=C1C2=C(CCCC2)[C@@H](O)N1Cc1cccs1 9095210 XEDOVJBPGBJLOL-GFCCVEGCSA-N 249.335 2.279 0 40 BEAB Cc1cc(C(=O)NCc2ccc(F)c(C)c2)on1 10552090 MYBNYVAYWYZYEB-UHFFFAOYSA-N 248.257 2.361 0 40 BEAB CC(=O)c1cc(C(=O)Nc2ccccc2)n(C)c1 12935223 BLGHBUMQYQFQLF-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CN(C)CC(=O)Nc1cccc(C(F)(F)F)c1 14152876 JULIBQBCWYYRTF-UHFFFAOYSA-N 246.232 2.206 0 40 BEAB CCOc1ccc(N)cc1C(=O)N[C@@H](C)CC 20155783 JYHSVSKJYYOSFB-VIFPVBQESA-N 236.315 2.196 0 40 BEAB CC(C)CNC(=O)c1cc(N)ccc1Cl 20193961 BBJSEBCVTSKMQQ-UHFFFAOYSA-N 226.707 2.308 0 40 BEAB in-vitro Nc1ncc(Cc2cccc(C(=O)O)c2)s1 20596517 GPZBWIDDZJBVSL-UHFFFAOYSA-N 234.280 2.014 0 40 BEAB in-vitro CO[C@H]1C(C)=C(C)C(=O)N1CCC(C)C 23485021 HTMDXERGRYQFHF-LBPRGKRZSA-N 211.305 2.184 0 40 BEAB CN(C)C(=O)c1cc2c(F)cccc2[nH]1 29557677 IAEFXXODBLIBJR-UHFFFAOYSA-N 206.220 2.009 0 40 BEAB Cc1ccc(C(=O)Nc2ccccn2)cn1 32895876 MYKUXZLRGWMWRO-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCOCC(=O)Nc1ccc2c(c1)CCC2 33028963 XYOCMFRAEIFRHV-UHFFFAOYSA-N 219.284 2.150 0 40 BEAB C[C@@H](O)c1c(F)cccc1-n1cccn1 35631795 PZSHMJVSVZTRKT-MRVPVSSYSA-N 206.220 2.065 0 40 BEAB in-vitro CCC(=O)N(c1ccccc1)[C@@H]1CCNC[C@@H]1C 35645899 REORAZISQPSCHR-GXTWGEPZSA-N 246.354 2.428 0 40 BEAB in-vitro O=C(O)c1csc(COc2ccccc2)n1 35715014 LJOUWCZLNURASK-UHFFFAOYSA-N 235.264 2.420 0 40 BEAB Cc1cc2ncn(C[C@H](C)C(=O)O)c2cc1C 35756760 MMEILEAEOHKIIF-JTQLQIEISA-N 232.283 2.374 0 40 BEAB O=C(NCC(F)(F)F)c1ccc(F)cc1 37485834 AUGRKUMBGPLQSO-UHFFFAOYSA-N 221.153 2.118 0 40 BEAB Brc1cccc2ccnnc12 40434034 GBTBZBUOFBLWOU-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB O=C(O)[C@@H]1CCCN1c1ccnc2ccccc12 41719860 KNLDLRFFXJQPKO-ZDUSSCGKSA-N 242.278 2.288 0 40 BEAB CCc1nc2sc(C)c(CC)c2c(=O)[nH]1 48412239 JRNZBYHBESYOFD-UHFFFAOYSA-N 222.313 2.418 0 40 BEAB COCCN1CCC[C@@H]1Cc1cccc(F)c1 52011959 GBCFZEXAEYEURJ-CQSZACIVSA-N 237.318 2.479 0 40 BEAB COc1cccnc1NC(=O)c1occc1C 65493520 HCOQXUJTRNMEFB-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB CC(C)(C)CNCc1nncn1-c1ccccc1 66972222 ODBODCIOCOCCIL-UHFFFAOYSA-N 244.342 2.403 0 40 BEAB Cn1ccnc1[C@@H](O)CCc1ccccc1 69028413 VQSZXGMRUDDAGZ-LBPRGKRZSA-N 216.284 2.086 0 40 BEAB in-vitro CCc1ccc(O)c(C(=O)Nc2nncs2)c1 72055118 YRMCHIREAZCVKP-UHFFFAOYSA-N 249.295 2.058 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccncc1C 72219507 UCOZINOMUWYJBH-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB Cc1cnccc1[C@H]1CCCCN1C=O 72219546 YDWVIUOSAQAGKT-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CC(=O)Nc1ccccc1C1CCNCC1 75904862 OIOGRQHMUFCFKJ-UHFFFAOYSA-N 218.300 2.112 0 40 BEAB CC(=O)Nc1ccc([C@H]2CCCNC2)cc1 75905300 CTDOTIDYAMDDBR-LBPRGKRZSA-N 218.300 2.112 0 40 BEAB Nc1c(F)c(F)cc(Br)c1F 75915347 ZAOKQCUBWKXHMH-UHFFFAOYSA-N 225.995 2.449 0 40 BEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCNC1 79437650 DRJBVMBAQADEBT-NSHDSACASA-N 242.363 2.384 0 40 BEAB NC[C@@H](Cc1ccccc1)C(F)(F)F 82719158 DUZYSCNQKRWUPA-SECBINFHSA-N 203.207 2.366 0 40 BEAB in-vitro CCc1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 89295505 LNPGXBACHGIEHL-RKDXNWHRSA-N 223.345 2.337 0 40 BEAB CC(=O)Oc1ccc2ncnc(Cl)c2c1 91297201 LSBGXLOBLBWVEN-UHFFFAOYSA-N 222.631 2.209 0 40 BEAB CON(C)C(=O)/C=C/c1cc(F)c(F)c(F)c1 95829611 CTFHSKGFBONUET-ONEGZZNKSA-N 245.200 2.137 0 40 BEAB CC(C)(CNC1CCC1)NC(=O)OC(C)(C)C 97057199 BVHULVIDGIFJSG-UHFFFAOYSA-N 242.363 2.432 0 40 BEAB O=C(O[C@@H]1CCOC1)C1=CCCCCC1 97164140 ZXOUOLLSQRYBBZ-LLVKDONJSA-N 210.273 2.209 0 40 BEAB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=N)N)(C3)C2 100436862 BPAJVQXJSNNFEJ-YYTOVBPXSA-N 221.348 2.218 0 40 BEAB CC1CC(NC(=O)N(C)CC2CCC2)C1 104201965 VPBPPXSFLGUXNW-UHFFFAOYSA-N 210.321 2.226 0 40 BEAB C[C@H](Oc1cccc2ncccc12)C(=O)O 143241336 AUPKWLCMMVLOIV-QMMMGPOBSA-N 217.224 2.087 0 40 BEAB NC1(c2ccc(CO)cc2)CCCCC1 149661207 NFEMUXOJPDLQOY-UHFFFAOYSA-N 205.301 2.297 0 40 BEAB CC(C)C(=O)c1c2c(c[nH]c1=O)CCCC2 225811011 NROBGVCWOILTJJ-UHFFFAOYSA-N 219.284 2.092 0 40 BEAB Nc1ccc(Br)c(C(F)F)n1 238574102 GSBGARZZGTUYQC-UHFFFAOYSA-N 223.020 2.364 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@]12CCCNC2 306778319 OOQKLUARVRMVMW-GXFFZTMASA-N 240.347 2.043 0 40 BEAB CCC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 405636524 VVMJNUVBVOIXIV-VIFPVBQESA-N 241.331 2.469 0 40 BEAB COc1c(CO)ccc(C(F)(F)F)c1F 604221694 WJMHMUHTWCCOER-UHFFFAOYSA-N 224.153 2.345 0 40 BEAB Cc1cc(C)nc(NC(=O)Cc2cccs2)n1 87807 MNSBXORGJMKKNZ-UHFFFAOYSA-N 247.323 2.336 0 40 BEAB OCCCc1cc(Br)ccc1O 1686546 IEMJHIWFWIZOMG-UHFFFAOYSA-N 231.089 2.080 0 40 BEAB CC[C@H]1CCCCN1C[C@@H]1CCCCN1 32012424 NTFVIIAEJUAUIK-STQMWFEESA-N 210.365 2.393 0 40 BEAB COc1c2c(cc3ccoc13)CCC(=O)O2 2539997 MIRPXKKVNYHHPJ-UHFFFAOYSA-N 218.208 2.293 0 40 BEAB CC(=O)Nc1nnc2c(c1C)C[C@@H]1[C@@H]2C1(C)C 103585775 OWPMCMVAYWHZBG-ZJUUUORDSA-N 231.299 2.039 0 40 BEAB C[C@@H](Nc1cccc(Br)c1)C(=O)O 8702707 RZKNPTBIKBLHJG-ZCFIWIBFSA-N 244.088 2.334 0 40 BEAB CN[C@H]1CCCN(Cc2ccc(F)cc2)C1 53201423 JOSDAGWYZQVTNP-ZDUSSCGKSA-N 222.307 2.010 0 40 BEAB Cc1cccc(N[C@H]2CCCCNC2=O)c1 12545012 JZDLOKZYOJBZKE-LBPRGKRZSA-N 218.300 2.076 0 40 BEAB COc1cccc([C@H]2C[C@H]2[C@H](C)O)c1OC 62713900 FZMUAEIULPUYBQ-INTQDDNPSA-N 222.284 2.188 0 40 BEAB Cc1cc(C(=O)Nc2nncs2)sc1C 12740743 BPCPXQZEWXDUAD-UHFFFAOYSA-N 239.325 2.469 0 40 BEAB CCOC(=O)c1cncnc1-c1ccccc1 8700136 HENFGBQLRJLYFL-UHFFFAOYSA-N 228.251 2.320 0 40 BEAB CCc1ccccc1O[C@@H]1CCCNC1 14631664 FIJYHGNJVWIUQH-GFCCVEGCSA-N 205.301 2.380 0 40 BEAB in-vitro CC(C)CCNC(=O)c1ccc2c(c1)OCO2 5632835 GXIKXGAXNFAADL-UHFFFAOYSA-N 235.283 2.191 0 40 BEAB CC(C)(C)OCCONC(=O)C1CCCC1 67448996 QXDOPUPIIKLGAZ-UHFFFAOYSA-N 229.320 2.040 0 40 BEAB c1ccc2c(c1)CCN(C[C@H]1CCCCN1)C2 19432376 OEDNKJKYNYWJBW-OAHLLOKOSA-N 230.355 2.187 0 40 BEAB C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)OCO2 71856466 GGRWGASDGBEPAU-GXSJLCMTSA-N 247.294 2.334 0 40 BEAB C[C@H](NCC1OCCO1)[C@H](C)c1ccccc1 97110054 DVXLKOJXWAFTKD-RYUDHWBXSA-N 235.327 2.141 0 40 BEAB CCn1cc(NC(=O)Nc2cccc(C)n2)cn1 97142692 OEGCFADMYJYGEK-UHFFFAOYSA-N 245.286 2.250 0 40 BEAB C/C=C/C=C/C(=O)Nc1nc(C)ccc1OC 95963060 SAGXVRSWSDGOLA-YTXTXJHMSA-N 232.283 2.469 0 40 BEAB Cn1cc(NCc2cccc(F)c2F)cn1 20350276 IYTYQMRTGAXZFK-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB COc1ccc(F)c(CC(=O)O)c1Cl 38529653 UXEJOUUYHCRBTM-UHFFFAOYSA-N 218.611 2.115 0 40 BEAB COC(=O)[C@@]1(C)CC[C@@](C)(C(=O)O)C1(C)C 217719789 HGTOFGDHNFUVAG-NWDGAFQWSA-N 228.288 2.077 0 40 BEAB Fc1ccc(F)c(N2CCN[C@@H]3CCC[C@H]32)c1 218847524 SKVSERVTWVFWIX-VXGBXAGGSA-N 238.281 2.296 0 40 BEAB CCCN1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 72217959 AGJVINAMUDZKQN-GFCCVEGCSA-N 220.316 2.230 0 40 BEAB CCN(C)c1ncccc1[C@@H]1CCCN1C(C)=O 72212769 OZAAMHPOFBAOFW-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB CC(C)Nc1ccc(Br)nn1 79438414 AVMYKDLYUPYOLA-UHFFFAOYSA-N 216.082 2.059 0 40 BEAB Cc1ccc(C(=O)N2CCCCC2)cn1 32895398 CVFCLEJZVTYCIM-UHFFFAOYSA-N 204.273 2.016 0 40 BEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccnc1 225428166 INCQWLCAGQRTMV-FOGDFJRCSA-N 216.284 2.000 0 40 BEAB Cc1cc(Br)oc1C(=O)N(C)C 44977213 FDNMZQZNDSTHDG-UHFFFAOYSA-N 232.077 2.052 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](SC(=N)N)C2=O 137951607 JVXRHLUWSSCLBB-RASWFIQWSA-N 226.345 2.007 0 40 BEAB Cc1[nH]c(C(=O)O)c(Br)c1C 40546719 SOJANTHRIMMBII-UHFFFAOYSA-N 218.050 2.092 0 40 BEAB COC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 195550392 RKKDJOJSSLBGMY-QJPTWQEYSA-N 239.359 2.376 0 40 BEAB CC(C)(Br)[C@@H](NN)c1ccccc1 199539451 AVGIYNSLQQHCLI-VIFPVBQESA-N 243.148 2.365 0 40 BEAB Cc1cc(F)ccc1[C@@H]1CC(=O)CCN1 90659547 LSNSTGMHGQWUFV-LBPRGKRZSA-N 207.248 2.128 0 40 BEAB CC=C=C(OCOC)C1(O)CCCCC1 95611801 ZAWAPHHCFSVWFK-UHFFFAOYSA-N 212.289 2.361 0 40 BEAB Cc1ccnc(NC(=O)OC(C)(C)C)n1 144462847 LQDIQPXMPBBQEN-UHFFFAOYSA-N 209.249 2.132 0 40 BEAB O=C(c1cncc(F)c1)N1C[C@@H]2CC=CC[C@H]2C1 96468105 VDYQYECSKBZRTD-QWRGUYRKSA-N 246.285 2.259 0 40 BEAB COC[C@@H]1CCN(C(=O)C2CCCCCC2)C1 96417116 DHBDNRLLGDWMFP-GFCCVEGCSA-N 239.359 2.452 0 40 BEAB COCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 96446370 GGQNZUHWIVWBSJ-NEPJUHHUSA-N 235.327 2.331 0 40 BEAB CCOc1ccc(CC(=O)O)cc1OC(C)C 96024937 YMSGOQINQDTJNV-UHFFFAOYSA-N 238.283 2.500 0 40 BEAB CCCCCNCc1ccn(CC(F)F)n1 256050271 DKCVBWQRAKZOBU-UHFFFAOYSA-N 231.290 2.428 0 40 BEAB COCC(=O)N1CCC[C@@H](c2ccccc2)CC1 66765427 ZIZQKWVRZPZMIU-CQSZACIVSA-N 247.338 2.429 0 40 BEAB FC(F)(F)c1ccc(-n2ccnn2)cc1 196263416 IPLCEEKXQLWFBX-UHFFFAOYSA-N 213.162 2.286 0 40 BEAB O=C(O)/C=C/c1ccc(C(F)(F)F)o1 275663 VPZXPSZUDWNYGT-DUXPYHPUSA-N 206.119 2.396 0 40 BEAB O=C(O)c1cnc(OCC2CC2)c(Cl)c1 19870758 BVZPQIQIXDKNRK-UHFFFAOYSA-N 227.647 2.222 0 40 BEAB in-vitro CC[C@@H](NC[C@H]1CCCN1CC)C(C)C 37213836 BCZRSVBWTKKRAV-CHWSQXEVSA-N 212.381 2.495 0 40 BEAB O=C(Cn1ccnc1)Nc1ccc2c(c1)CCC2 10809503 BLGGYFHFEZAAHL-UHFFFAOYSA-N 241.294 2.011 0 40 BEAB Cn1cc(Br)c(C2CC2)n1 72209617 USPQGAVLHGQJJV-UHFFFAOYSA-N 201.067 2.060 0 40 BEAB in-vitro NC(=O)[C@H](NCC1CCCCC1)c1ccccc1 30007229 FUWFODMDDLEKAF-CQSZACIVSA-N 246.354 2.383 0 40 BEAB COC1=CC(=O)O/C1=C\Nc1ccccc1 100318289 XVVXYPWJNCVLKQ-FLIBITNWSA-N 217.224 2.027 0 40 BEAB CCCC(=O)Nc1nc(C)c(C(C)=O)s1 149464 KMMFETCHQUVWOV-UHFFFAOYSA-N 226.301 2.393 0 40 BEAB CN(C)C(=O)OC/C=C/c1ccccc1 1667577 FJSWXGUDIYRSEG-RMKNXTFCSA-N 205.257 2.398 0 40 BEAB O=C1OCC/C1=C\OCCc1ccccc1 1752913 IRXSJGAXJUGEME-ZRDIBKRKSA-N 218.252 2.077 0 40 BEAB C[C@H](c1ccccc1)N1OCC(C)(C)C(=O)C1=O 2087805 VWCLLYDOIREHPD-SNVBAGLBSA-N 247.294 2.117 0 40 BEAB biogenic C[C@H]1CN=C(Nc2ccccc2N)S1 3103229 FVWQMXXGNNZXCC-ZETCQYMHSA-N 207.302 2.172 0 40 BEAB C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3195871 YZJCDAPHRDTDQY-NSHDSACASA-N 239.340 2.250 0 40 BEAB CCC[C@@H](O)[C@@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845870 XRVXEMNLTYHFFR-GIPNMCIBSA-N 244.331 2.196 0 40 BEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)O 4218605 OERBTSVZNYTLRW-UHFFFAOYSA-N 224.304 2.173 0 40 BEAB in-vitro O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 4628333 LFNKEMHLHNYJOK-OEXLFXSVSA-N 249.354 2.250 0 40 BEAB CC(C)CNC(=O)c1ccc(N(C)C)cc1 5940202 BXYNLWCHKHCSJJ-UHFFFAOYSA-N 220.316 2.138 0 40 BEAB O=c1c(Cc2ccccc2)c(O)cc2n1CCC2 6575282 ORZIYCYODHTTOR-UHFFFAOYSA-N 241.290 2.091 0 40 BEAB O=C(Nc1cccc(Cl)c1)c1csnn1 8673443 AZAANMFYJCSKOT-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB Cc1cc(C)n(Cc2ccc(C(=O)O)s2)n1 12357619 ANGWHUYUGGKCKY-UHFFFAOYSA-N 236.296 2.308 0 40 BEAB C[C@H](NC(=O)NC1CCCC1)c1ccccn1 13744645 HQJNDQAUBWFFSW-JTQLQIEISA-N 233.315 2.384 0 40 BEAB CCNS(=O)(=O)c1ccc([C@H](C)CC)cc1 13938537 ZDBODMBZWQHRPG-SNVBAGLBSA-N 241.356 2.498 0 40 BEAB Cc1cccc2cc(CNCC3CC3)c(=O)[nH]c12 13998549 ALOYBSLDASQBNA-UHFFFAOYSA-N 242.322 2.336 0 40 BEAB Cc1ccc(S(=O)(=O)CCCF)cc1 16158748 GMFUSUJHWOZTCC-UHFFFAOYSA-N 216.277 2.128 0 40 BEAB CC(=O)c1c(C)nn(-c2ccccc2)c1O 18122773 LRVOFDVMZZYXLR-UHFFFAOYSA-N 216.240 2.089 0 40 BEAB CCn1nccc1CNc1ccc(C(=O)O)cc1 20353806 DLVHTJPEYSKURM-UHFFFAOYSA-N 245.282 2.213 0 40 BEAB NC(=O)[C@@H](Nc1ccc(F)cc1)c1ccccc1 26157974 FIUSXXYCERDGMJ-ZDUSSCGKSA-N 244.269 2.464 0 40 BEAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1 32012609 DAGWNRUYMBGFSV-GZMMTYOYSA-N 211.692 2.389 0 40 BEAB in-vitro CC(C)SCC(=O)NC(C1CC1)C1CC1 32796910 YIKVRADIJMCHRH-UHFFFAOYSA-N 227.373 2.433 0 40 BEAB COc1cccc2oc(C(=O)O)c(C)c12 39378358 MBJKFAUPYMUFOV-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB CCC(CC)CNCCN1CCCCC1 42254486 GMNYANSILKDNFN-UHFFFAOYSA-N 212.381 2.498 0 40 BEAB CCCN1CCN(c2ccccc2F)CC1 47705263 QNGLSBMMBNXNAT-UHFFFAOYSA-N 222.307 2.358 0 40 BEAB Cc1c(C(F)(F)F)n[nH]c1NC(=O)C1CC1 50008211 MORIKPKVTWCGRU-UHFFFAOYSA-N 233.193 2.085 0 40 BEAB CC(C)(C)OC(=O)N(CCN)C1CCCC1 58040373 PLGVKICJVCBSQF-UHFFFAOYSA-N 228.336 2.125 0 40 BEAB Cc1noc(C)c1NC(=O)N[C@H](C)C(C)C 60343574 RNADFLWIBDSPCT-SSDOTTSWSA-N 225.292 2.457 0 40 BEAB CCCNc1ncc(CN[C@@H](C)CC)cn1 62717693 XAKWETVANRYRQR-JTQLQIEISA-N 222.336 2.187 0 40 BEAB OC[C@H](c1c(F)cccc1F)N1CCCCC1 70452998 CJAPEDYTPROFGH-GFCCVEGCSA-N 241.281 2.484 0 40 BEAB CNc1ncc(-c2cccc(F)c2)cn1 72221014 NNABMPWVXOFKAL-UHFFFAOYSA-N 203.220 2.324 0 40 BEAB CCC[C@H](C)NS(=O)(=O)c1cccc(F)c1 72542561 AMDHVJNMNHPYTP-VIFPVBQESA-N 245.319 2.293 0 40 BEAB COC(=O)CCC(=O)c1ccc(OC)cc1C 74418918 KKHBHMKNNHALQU-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB O=C(Nc1cccc(F)c1)c1cnco1 82335638 HZPQSULUWRFZQZ-UHFFFAOYSA-N 206.176 2.066 0 40 BEAB CN(C(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2 95415975 VURBTCGHPUURIW-UHFFFAOYSA-N 242.278 2.226 0 40 BEAB CC(=O)OCC[C@H](C)CC[C@H](O)C(C)(C)F 95470358 HDLMFYXQXJIEQK-KOLCDFICSA-N 234.311 2.465 0 40 BEAB CCOC(=O)CCOc1cc(F)c(F)c(F)c1 95733920 UWICEVQGXRMBBJ-UHFFFAOYSA-N 248.200 2.436 0 40 BEAB C[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 96026219 CJGCFSACALSTJS-AAEUAGOBSA-N 233.311 2.085 0 40 BEAB Cc1ccc(CN(C)[C@H]2CCSC2)nc1 96485543 RBDFRWPMQKJHFS-LBPRGKRZSA-N 222.357 2.327 0 40 BEAB CC(=O)c1ccc(OCC2(C)COC2)cc1 96515710 BNFBLCGYWQMIKK-UHFFFAOYSA-N 220.268 2.305 0 40 BEAB Cc1noc(C)c1CNc1nnc(C(C)C)o1 97045375 ZWEHXQLQWUBFAL-UHFFFAOYSA-N 236.275 2.410 0 40 BEAB c1ccc2c(c1)ncn2C1C[C@H]2CC[C@H](C1)N2 100014247 OGOZBBGHZSRLBJ-GHMZBOCLSA-N 227.311 2.492 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C)(O)C2 100058993 SLERKVCWNKEZEG-IWIIMEHWSA-N 241.331 2.299 0 40 BEAB in-vitro NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1 100310553 KMBYZBYRJLMRAY-CYDGBPFRSA-N 243.306 2.017 0 40 BEAB C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CSCCO 100746625 CLVRHDSFNQCSKV-ZMLRMANQSA-N 228.357 2.107 0 40 BEAB C[C@@]12CC[C@H](CC1=O)[C@@]2(C)CCC(=O)O 100746644 YMCGZMYNZAJAAY-GGZOMVNGSA-N 210.273 2.247 0 40 BEAB O=C(CCc1ccsc1)Nc1cnns1 188246080 LHEYWTLBMGURSK-UHFFFAOYSA-N 239.325 2.171 0 40 BEAB NNCc1cc(Cl)cc2c1CCCC2 199534498 RWJSXCNLZLWPDA-UHFFFAOYSA-N 210.708 2.182 0 40 BEAB CCN(CCCC(=O)O)c1ccccc1OC 224996870 KKOKQZOIPPSMGQ-UHFFFAOYSA-N 237.299 2.386 0 40 BEAB COc1ccc(Cl)cc1N(C)[C@@H](C)C(=O)O 225001847 JPNVPKMUBBPSIV-ZETCQYMHSA-N 243.690 2.258 0 40 BEAB CCCn1cc(CNc2cn(C)nc2C)c(C)n1 256051706 KGINISIFZKYTDO-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CCOCCCNCc1cn(C(C)C)nc1C 256052847 OXADJLQDLPYTLE-UHFFFAOYSA-N 239.363 2.289 0 40 BEAB Cc1ncccc1OC[C@H]1CCCOC1 335975583 BIOUZYORYKHNMI-NSHDSACASA-N 207.273 2.195 0 40 BEAB COC(=O)CCC(=O)c1cc(C)cc(F)c1 382711058 YNUOIEBQUKIUHV-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB Cc1c(-c2cccc(C[C@H](C)N)c2)cnn1C 629730809 WSXDRWJGQJZJSN-JTQLQIEISA-N 229.327 2.285 0 40 BEAB c1ccc2c(c1)CCCCOCCNCCO2 2037978192 GSPDLUZQJNJPSH-UHFFFAOYSA-N 235.327 2.008 0 40 BEAB O=C1NCOC1(c1ccccc1)c1ccccc1 1752082 XJOFNIQCCNUSLJ-UHFFFAOYSA-N 239.274 2.034 0 40 BEAB O=C(Nc1ccccn1)OCC(F)(F)F 32628821 FCBOWXGAOKPCQY-UHFFFAOYSA-N 220.150 2.192 0 40 BEAB in-vitro CC1=N[C@@](C)(c2ccc(N)cc2)N([O])C1(C)C 104508638 ZDOKQBROHVTMOZ-CYBMUJFWSA-N 232.307 2.342 0 40 BEAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC 8050137 OXIHZLWSNWMPAY-JTQLQIEISA-N 227.691 2.243 0 40 BEAB C[C@H]1CCCC[C@@]1(N)CNC(=O)OC(C)(C)C 60280003 UTCOPBUSXKFUTP-GXFFZTMASA-N 242.363 2.419 0 40 BEAB in-vitro CN(C)/C=C1\SC(=O)c2ccccc21 52518725 RWXKBXGDRRFSFU-YFHOEESVSA-N 205.282 2.434 0 40 BEAB Cn1ncc2c(NCc3cccs3)ncnc21 21970192 UJLXZWFXXRGHLY-UHFFFAOYSA-N 245.311 2.037 0 40 BEAB O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@@H]12 103108399 RQWNVDAJWFMNDY-FRWLMAKKSA-N 244.290 2.229 0 40 BEAB O=C(O)CCc1csc(-c2ccccn2)n1 33465117 BZSATIYTWPNCQG-UHFFFAOYSA-N 234.280 2.222 0 40 BEAB O=C(Nc1ncccc1O)c1ccsc1 22264160 FXCPDKMHCSBJLZ-UHFFFAOYSA-N 220.253 2.101 0 40 BEAB Nc1nc2c(O)nnc(-c3ccccc3)c2s1 11919848 CKCOPPBCDQMNSE-UHFFFAOYSA-N 244.279 2.041 0 40 BEAB CCN(CCOC)CCc1ccccc1 51923679 SRGYIFAOCRHNMY-UHFFFAOYSA-N 207.317 2.197 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@H]2[C@H](C)N)c1 108019098 DPZMVJPIWKFHMT-INTQDDNPSA-N 221.300 2.155 0 40 BEAB NCc1ccc(OCC(F)(F)F)cc1 12505411 ARVACHCCAPNBHI-UHFFFAOYSA-N 205.179 2.086 0 40 BEAB in-vitro C[C@H]1CCC[C@H](Nc2ncnc3c2cnn3C)C1 25571764 DRMYJUKLZOQQMY-UWVGGRQHSA-N 245.330 2.354 0 40 BEAB Cc1cc[n+](CCCC[n+]2ccc(C)cc2)cc1 1634284 GGFGIQHGVPPIGP-UHFFFAOYSA-N 242.366 2.359 0 40 BEAB C[C@@H]1CCCN(C(=O)Cc2ccccc2N)C1 20155695 SYFWEFOBGXFRQU-LLVKDONJSA-N 232.327 2.070 0 40 BEAB COc1ccc(C)cc1CCNC(=O)C1CCC1 58342797 HNRNVTCQSHUTSD-UHFFFAOYSA-N 247.338 2.462 0 40 BEAB CC(=O)c1ccc(-n2cnc(C)c2)cc1 21303731 XVSAOSPGDUFLCH-UHFFFAOYSA-N 200.241 2.383 0 40 BEAB Cc1cccc([C@H](C(=O)O)N2CCCC2)c1 16745285 YXYDVDIAHHXZKT-GFCCVEGCSA-N 219.284 2.217 0 40 BEAB CC(C)(N)c1cn(-c2cccc(Cl)c2)nn1 66091316 GRMVDFGXEUYFNJ-UHFFFAOYSA-N 236.706 2.115 0 40 BEAB Cc1c(C(=O)NC(C)C)cnn1-c1ccccc1 6800983 GMWIWQTVXYQWHS-UHFFFAOYSA-N 243.310 2.319 0 40 BEAB c1ccc([C@@H]2CNC[C@H](C3CC3)O2)cc1 70890800 OPFRLWQXHLLDAU-QWHCGFSZSA-N 203.285 2.126 0 40 BEAB C[C@@H]1SCCN(C(=O)C2CCC2)[C@@H]1C 89920006 SSPODGTZOLVENR-BDAKNGLRSA-N 213.346 2.139 0 40 BEAB Cc1ncccc1OCc1noc(C(C)C)n1 97082579 ZRFCNMHEILQIJF-UHFFFAOYSA-N 233.271 2.475 0 40 BEAB CCOC(=O)c1ccc(C(=O)C(F)F)s1 308828101 RYACXGPNBJFYLR-UHFFFAOYSA-N 234.223 2.373 0 40 BEAB O=[S@](CCO)[C@@H]1CCc2c(Cl)cccc21 97046692 NKWTVLVMSIYANC-ABAIWWIYSA-N 244.743 2.068 0 40 BEAB Cc1cc(C(=O)O)c(C)n1Cc1cccnc1 21810510 AAMZXQTXNWUFFT-UHFFFAOYSA-N 230.267 2.246 0 40 BEAB Cc1ccc(S(=O)(=O)NCC(C)(C)C)cc1 39426518 ZNCIBFZRXYHSKQ-UHFFFAOYSA-N 241.356 2.319 0 40 BEAB Cc1cc(OCC(N)=O)c(Cl)c(C)c1Cl 216909048 DWYWYFCSKMVBAO-UHFFFAOYSA-N 248.109 2.474 0 40 BEAB c1csc(CCN2CCN[C@@H]3CCC[C@@H]32)c1 225716127 QAUPJZQIGTZSKP-OLZOCXBDSA-N 236.384 2.117 0 40 BEAB CCOc1ccccc1OC[C@H]1CCNC1 42772408 ZANSFRWXGJTBLF-NSHDSACASA-N 221.300 2.074 0 40 BEAB Cc1c(F)cccc1NC(=O)C1CCNCC1 43321999 ZLLZSBZGNGBMOI-UHFFFAOYSA-N 236.290 2.072 0 40 BEAB CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC 195531040 JQMZCEGGYKZIQL-VWYCJHECSA-N 213.321 2.106 0 40 BEAB CC[C@@H](C(=O)c1ccccc1)S(=O)(=O)CC 81907131 HRWXRMPCBSRLQW-NSHDSACASA-N 240.324 2.083 0 40 BEAB C[C@H](Oc1cc(Cl)ncn1)c1cnccn1 43220493 BISVYYGPNPYRDN-ZETCQYMHSA-N 236.662 2.060 0 40 BEAB CCOc1cccc(COC(=O)c2ccco2)n1 96472976 SVUVCMLRVJUVOZ-UHFFFAOYSA-N 247.250 2.430 0 40 BEAB CC[C@@H](NCC(=O)OC)c1ccc(F)cc1F 96491951 STQURMRUTSWTMB-LLVKDONJSA-N 243.253 2.179 0 40 BEAB CC(C)Cn1c([C@H](C)N)nc2cnccc21 96510508 NGWGCAAUZTVXOA-VIFPVBQESA-N 218.304 2.107 0 40 BEAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2C)S1 260774956 OJCJSJJNJMHORN-FXPVBKGRSA-N 233.340 2.318 0 40 BEAB NCc1ccc(C(=O)c2ccco2)s1 90397612 AHVHODLTLNNKRP-UHFFFAOYSA-N 207.254 2.031 0 40 BEAB Cc1ccsc1C(=O)N[C@@H](C)Cn1ccnc1 42511224 CAFKIPOJOMINOL-JTQLQIEISA-N 249.339 2.072 0 40 BEAB c1cc2c(C3CCNCC3)c[nH]c2cn1 83283806 BESGNGHOVVYHFJ-UHFFFAOYSA-N 201.273 2.030 0 40 BEAB NC(=O)Nc1cc(F)ccc1C(F)(F)F 169801674 MFMXNKGAENFYPL-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CCCCNC(=O)c1ccc(N)cc1Cl 8732467 USCCLEZZQVDTSB-UHFFFAOYSA-N 226.707 2.452 0 40 BEAB CN(C)[C@@H](CCN)c1ccc(Cl)cc1 11762456 IDNMRNLCEZWGGG-NSHDSACASA-N 212.724 2.292 0 40 BEAB C/C=C/c1ccc(OC(=O)NC)c(OC)c1 1732624 REWCHNBADSSUQQ-SNAWJCMRSA-N 221.256 2.447 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)C2CCC1CC2 498051082 MFDABLWVOJYWGI-UHFFFAOYSA-N 225.288 2.323 0 40 BEAB Cc1cc(OC2CCC2)n2nc(C)cc2n1 585654104 CUDGQOOWDRCQGS-UHFFFAOYSA-N 217.272 2.277 0 40 BEAB COC[C@@H]1N=C(C)O[C@H]1c1ccccc1 32317 AKFIXTAIQHJWAU-RYUDHWBXSA-N 205.257 2.191 0 40 BEAB in-vitro CCOC(=O)C(C)(C)Oc1ccccc1 1420668 WGIIOGRUHSJKMI-UHFFFAOYSA-N 208.257 2.407 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 1504858 KTWVHOBNUWGURN-UHFFFAOYSA-N 246.310 2.334 0 40 BEAB COc1cccc2c1C(=O)[C@@]1(O)CCCC[C@H]21 1634642 FXJPJLDVHPAZBR-QMTHXVAHSA-N 232.279 2.280 0 40 BEAB C[C@@H](CN(C)C)Oc1ccc2c(c1)C(=O)[C@@H](C)C2 1675078 NWMZWVSNWLBQCA-QWRGUYRKSA-N 247.338 2.390 0 40 BEAB C[C@H]1CCCCN1C(=O)c1ccccc1C(=O)O 1716179 WMBSNHLLELFRTM-JTQLQIEISA-N 247.294 2.399 0 40 BEAB CCN(CC)C(=O)[C@H]1Cc2ccccc2N(C)C1 2048369 YGUMEHXRWZNVOM-ZDUSSCGKSA-N 246.354 2.164 0 40 BEAB CCCC[C@H](CC)C(=O)NC[C@H]1CCCO1 2741662 PVEUPUAPZWVDHP-NWDGAFQWSA-N 227.348 2.498 0 40 BEAB CC(C)(C)C1=CC=Nn2cnnc2S1 4753508 MMLUJMPWYGOARG-UHFFFAOYSA-N 208.290 2.148 0 40 BEAB Fc1ccc(NC(=S)NC2CC2)c(F)c1 6511420 INLULAXPJPQZKY-UHFFFAOYSA-N 228.267 2.414 0 40 BEAB Nc1ccccc1NCCNc1ccccc1N 6733668 QPPNMXFQUZHBAY-UHFFFAOYSA-N 242.326 2.375 0 40 BEAB CCCN[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6787948 AYWSWASKUCRDBI-SNVBAGLBSA-N 248.326 2.216 0 40 BEAB CC[C@@H](C)NC(=O)NCc1ccccc1 10277335 BXLJGDWVRRHQKX-SNVBAGLBSA-N 206.289 2.284 0 40 BEAB N=C1NC(=O)/C(=C\c2ccc(Cl)cc2)S1 12410085 VWLLPISBNMJQES-VMPITWQZSA-N 238.699 2.479 0 40 BEAB COc1cc(CNC(=O)C2CCCCC2)ccn1 12536488 FJFDQQXNQWUUFW-UHFFFAOYSA-N 248.326 2.287 0 40 BEAB COc1cc(CNC(=O)c2ccccc2)ccn1 12537208 PWDGCVICJBAQBL-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCOC(=O)CC1[C@@H](C)[C@H](C)N[C@H](C)[C@@H]1C 16951761 KZLXDLZVUUMHCG-HJWVFBQESA-N 227.348 2.208 0 40 BEAB CC(C)C[C@H](C)Oc1cc(CN)ccn1 19401048 VOJHKEXYZCVKSW-JTQLQIEISA-N 208.305 2.354 0 40 BEAB in-vitro COC(=O)Cc1ccc(OCC(F)F)cc1 20348978 NGESQXJVKGYMSH-UHFFFAOYSA-N 230.210 2.046 0 40 BEAB COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C 25309966 QOYOPFKIRGRNSM-IONNQARKSA-N 223.247 2.429 0 40 BEAB CC1CCC(NC(=O)c2cccn2C)CC1 32668066 ATUVXHWHDWZCHS-UHFFFAOYSA-N 220.316 2.334 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)[C@@H]1C 33028628 FXQLTXZPVNTNIB-GMTAPVOTSA-N 233.315 2.031 0 40 BEAB COc1ccc([C@H]2CCC[C@@H]2O)cc1OC 34217594 OQBWLENGGHITAO-MNOVXSKESA-N 222.284 2.332 0 40 BEAB COC(=O)c1ccnc2ccc(OC)cc12 34226716 UXVFOFFVXPRWBZ-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB O=C(c1ccco1)N(Cc1ccncc1)C1CC1 35384711 VYGCPBBZJIWAPN-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB Cc1nc2cc(C(=O)O)ccc2n1CC1CC1 36893516 UYAWFSWGNRHPJG-UHFFFAOYSA-N 230.267 2.453 0 40 BEAB CCc1cc(NCCc2cccnc2)ncn1 40765154 GNYGUMIISHRVEI-UHFFFAOYSA-N 228.299 2.089 0 40 BEAB O=C1NC[C@@H](c2cccc(Br)c2)O1 41286216 KXRLLPOTYKCTOC-QMMMGPOBSA-N 242.072 2.230 0 40 BEAB CC(C)(C)C(=O)NOCc1ccccc1 41978674 XSBZRCYZDXMLPH-UHFFFAOYSA-N 207.273 2.281 0 40 BEAB CCc1noc([C@@H](C)N2CCC(C)CC2)n1 42651750 VBKDFMFGPDXFJH-SNVBAGLBSA-N 223.320 2.425 0 40 BEAB C[C@H](NC(=O)c1ccco1)c1cccnc1 48325306 ONGZDWRBOJEBNV-VIFPVBQESA-N 216.240 2.166 0 40 BEAB CC(C)[C@@H](C)NC(=O)COc1ccc(F)cc1 49535396 WKYBSBSICJPBHL-SNVBAGLBSA-N 239.290 2.365 0 40 BEAB COC(=O)CCC(=O)c1ccc(OC)c(C)c1 49827995 OQKMHXFFNBSWDS-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB CC(C)C(=O)N1CCN(C)[C@@H](c2ccccc2)C1 62108906 KAWJAHNOISOICP-CQSZACIVSA-N 246.354 2.158 0 40 BEAB Nc1[nH]nc(-c2ccc(Cl)cc2)c1F 63110809 QZGGUPMSYHHJSN-UHFFFAOYSA-N 211.627 2.451 0 40 BEAB CCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 65585971 JQLPIDAJHVQNEB-UHFFFAOYSA-N 233.246 2.360 0 40 BEAB C/C=C(\C)CN1CCC2(CCNCC2)C1 67894062 LANSVSBSOCYJIZ-KGVSQERTSA-N 208.349 2.028 0 40 BEAB Clc1ccc(CNC[C@H]2CCCNC2)cc1 72203325 JORURHDRVJYWJS-LBPRGKRZSA-N 238.762 2.429 0 40 BEAB CNc1ncc([C@@H]2CCCCN2)cc1C 72218992 ZERFZCSSQQKWBJ-NSHDSACASA-N 205.305 2.246 0 40 BEAB Cc1ccc(-c2nc3c(o2)CNCC3)cc1 76644560 BHEUIVVWMMBOIL-UHFFFAOYSA-N 214.268 2.296 0 40 BEAB in-vitro CN(c1nc2ccccc2o1)[C@H]1CCCNC1 79440536 OSVSBLNEJFKFOZ-JTQLQIEISA-N 231.299 2.016 0 40 BEAB CNC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 80633057 MXOGPNHKTBIASV-QMMMGPOBSA-N 242.706 2.036 0 40 BEAB CC(C)c1nc(C(=O)O)c2n1CCCC2 83987023 GZMGYMIDULBJOF-UHFFFAOYSA-N 208.261 2.041 0 40 BEAB CCc1c(N)cnn1-c1ccccc1C 85634353 UXDDTUSMVJARTC-UHFFFAOYSA-N 201.273 2.325 0 40 BEAB in-vitro COc1ccnc(NC(=O)c2ccsc2)c1 89987106 GHJRQNMVBGHRNT-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB C1CCC(c2noc(CC3CCNCC3)n2)C1 93679463 OXZIEYMBLZWYKZ-UHFFFAOYSA-N 235.331 2.269 0 40 BEAB C[C@@]1(CO)CCC[C@H]1NC1Cc2ccccc2C1 95423322 VTUGGFUQZCLTCX-CVEARBPZSA-N 245.366 2.295 0 40 BEAB O=C(N[C@@H]1CCCc2cn[nH]c21)C1CCCCC1 95423938 WIRQWKYTLLTHIJ-GFCCVEGCSA-N 247.342 2.484 0 40 BEAB CCOC(=O)CCCc1ccc(C#N)cc1N 95635149 IKMMJWGYXDEWBO-UHFFFAOYSA-N 232.283 2.026 0 40 BEAB in-vitro C[C@]12C[C@@H](c3ccccc3)N[C@H]1CCCC(=O)N2 95951591 RGEHQABPLPRTNT-YDHLFZDLSA-N 244.338 2.148 0 40 BEAB CC(C)=CCN(C)CCCn1ccnc1 95984100 PMIXBWAKZSBFGP-UHFFFAOYSA-N 207.321 2.171 0 40 BEAB Cc1ccc(CN2C[C@@H]3COC[C@H]3C2)cc1 96054903 CNGRAOAKMAGIBK-ZIAGYGMSSA-N 217.312 2.073 0 40 BEAB CCCCN(CC)c1nccc(OC)n1 96967087 HIHBRUOYTKQHDQ-UHFFFAOYSA-N 209.293 2.112 0 40 BEAB CCn1cc(OCc2nccn2C(F)F)cn1 184754353 HZWFYJBKISFPBY-UHFFFAOYSA-N 242.229 2.074 0 40 BEAB COc1cccc([C@@H]2CCCC[C@@H]2NN)c1 199538994 OPIJBJZARGJXGX-STQMWFEESA-N 220.316 2.185 0 40 BEAB Cc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 216110053 CLNKIICQKRMIRN-YDHLFZDLSA-N 248.370 2.104 0 40 BEAB N[C@@H]1CCCC[C@H]1NCCc1ccccc1 218853431 MDLZPTBFVRHYHS-ZIAGYGMSSA-N 218.344 2.089 0 40 BEAB CN1C(=O)CC[C@@]12CCc1ccccc12 220211610 XILFWPPNQMHZFV-CYBMUJFWSA-N 201.269 2.080 0 40 BEAB CCOc1cccc2c(NCCCN)ccnc12 222681324 QHZINDIWFCCLJE-UHFFFAOYSA-N 245.326 2.394 0 40 BEAB CCNC(=O)c1conc1-c1ccccc1 225870369 IQIHONQQRVMNDR-UHFFFAOYSA-N 216.240 2.091 0 40 BEAB Cc1cn2c([C@@H](C)O)c(Cl)nc2s1 256053206 QMWQPMRXXRVZRM-RXMQYKEDSA-N 216.693 2.411 0 40 BEAB FCCn1cc(CNCc2ccccc2)cn1 256053686 SKHIDTUIZIMZPK-UHFFFAOYSA-N 233.290 2.142 0 40 BEAB c1ncc(-c2cncc(C3CCNCC3)n2)s1 257320910 VZFVADREMOXEMS-UHFFFAOYSA-N 246.339 2.067 0 40 BEAB Cc1cncc(N2C[C@@H]3CCC[C@H]3C2)n1 302095873 JDRWPPVBNPQPES-QWRGUYRKSA-N 203.289 2.021 0 40 BEAB O=C(Nc1cccnc1)C1CC(F)(F)C1 335845015 HARHECXIQRMPFW-UHFFFAOYSA-N 212.199 2.065 0 40 BEAB Cc1cn([C@H](C)CC(=O)O)nc1C(F)F 408716968 UCQXXSQKWDOEEH-ZCFIWIBFSA-N 218.203 2.165 0 40 BEAB O=C(NCc1cncc(C2CC2)c1)c1ccoc1 575620466 SZZWYGWUPGNITD-UHFFFAOYSA-N 242.278 2.482 0 40 BEAB CCCC(=O)Nc1nnc([C@@H]2CCCO2)s1 149468 UHEFSNIYCNMYSL-ZETCQYMHSA-N 241.316 2.128 0 40 BEAB Cc1nnc(NC(=O)OCC(C)C)s1 322733 XLTQBCLJFSSVBS-UHFFFAOYSA-N 215.278 2.051 0 40 BEAB CCSc1nnc(-c2ccncc2)n1CC 422460 GKBOAJGGJAQGOK-UHFFFAOYSA-N 234.328 2.472 0 40 BEAB CC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 478685 TUZSOGIKSSQALH-STUBTGCMSA-N 247.294 2.343 0 40 BEAB Cc1nn2c(O)cc(O)nc2c1-c1ccccc1 1031584 RMPNQIZQQJXZGW-UHFFFAOYSA-N 241.250 2.116 0 40 BEAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1 4018451 MOABDNRPQYWPMS-QJPTWQEYSA-N 207.317 2.435 0 40 BEAB CC(C)CN(CCC(=O)O)C(=O)OC(C)(C)C 5066775 SFBRAFGPHSCUBV-UHFFFAOYSA-N 245.319 2.354 0 40 BEAB O=C(COc1cccc2ccccc12)NC1CC1 6053089 IVZSMUUOWNPSHL-UHFFFAOYSA-N 241.290 2.497 0 40 BEAB CCOC(=O)c1cnc2ccncc2c1Cl 11920121 SUZSJFNERBAGDA-UHFFFAOYSA-N 236.658 2.460 0 40 BEAB CSc1ccc(C(=O)Nc2ccn(C)n2)cc1 12870284 FBBGECJXGORIHJ-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(C)c1 12971376 ICNWKIZOJRUILK-GZMMTYOYSA-N 247.294 2.376 0 40 BEAB c1cc(N2CCNCC2)c2sccc2c1 13741465 KAIYEAVSYUNYRS-UHFFFAOYSA-N 218.325 2.311 0 40 BEAB COC(=O)COc1ccccc1Br 15423314 DGZGLCBUVMGUCE-UHFFFAOYSA-N 245.072 2.001 0 40 BEAB CCOC(=O)/C=C\CCC(C)(C)COC(C)=O 17224398 HHLLAKBQNCVPSC-VURMDHGXSA-N 242.315 2.475 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N2CCC(C)CC2)c1 17355661 COVXSSKKJSORSF-UHFFFAOYSA-N 234.299 2.089 0 40 BEAB Cc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)o1 20094791 HCNXJLUITGCQRS-UHFFFAOYSA-N 243.266 2.370 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCC(C)CC1 22123482 VXUVXYLGQNSDNZ-LBPRGKRZSA-N 213.321 2.060 0 40 BEAB C[C@@H](NC(=O)c1cnccn1)c1cccs1 22976235 CRCMKMIFFKXNJF-MRVPVSSYSA-N 233.296 2.029 0 40 BEAB Cc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 28192870 FDDRQOTVGVJXRA-LLVKDONJSA-N 229.283 2.391 0 40 BEAB Fc1cccc(COC[C@@H]2CCCCN2)c1 28521890 ZTGDJFVNWWUSLN-ZDUSSCGKSA-N 223.291 2.484 0 40 BEAB CNc1ncc(I)cc1C 29786629 ZHUKYUJCPFBDHP-UHFFFAOYSA-N 248.067 2.036 0 40 BEAB COc1cccc(OC)c1C(=O)c1ccccn1 33994629 KHNSWAXUEXNSSW-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB COC(=O)[C@H](C(C)C)N1C[C@@H](C)C[C@H](C)C1 35655762 XGODMWPEWRNOJL-SRVKXCTJSA-N 227.348 2.162 0 40 BEAB CC(C)(C)Oc1ccc(N)cc1C(=O)O 37933566 QLOUIZIIJFDZBW-UHFFFAOYSA-N 209.245 2.144 0 40 BEAB O=c1[nH]cc(-c2ccc(Br)cc2)[nH]1 39408346 ZQZRRGGPCCTNFN-UHFFFAOYSA-N 239.072 2.133 0 40 BEAB Cn1cc(Cl)cc1C(=O)Nc1cccnc1 40476720 LDZVWTBRKLOMCT-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB COc1ccc(Cn2ccnc2C)cc1F 41233756 MNIUDLJVFFFZOF-UHFFFAOYSA-N 220.247 2.388 0 40 BEAB COCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 48324752 YSUOQZKOQNGYEQ-RYUDHWBXSA-N 239.359 2.378 0 40 BEAB CSc1ccc(CN(C)C[C@H](C)O)cc1 51821359 YCQZNHLQCWETEC-JTQLQIEISA-N 225.357 2.221 0 40 BEAB Cc1cccc(-n2cnc(Cl)c2CO)c1 69949556 VRWNYNNRKBVXRB-UHFFFAOYSA-N 222.675 2.326 0 40 BEAB c1ccc([C@@H]2C[C@H]2CN2CCCNCC2)cc1 71477100 KJWVAYDVQDFQKH-GJZGRUSLSA-N 230.355 2.085 0 40 BEAB C[C@@H]1CN2CCC[C@@H]2CN1CCc1ccccc1 72324608 OWXRKLBEDFCSBI-GDBMZVCRSA-N 244.382 2.398 0 40 BEAB Cc1ccc(C)c(-c2noc([C@@H](C)N)n2)c1 74110310 DIIPLDDWJSTUQX-SECBINFHSA-N 217.272 2.373 0 40 BEAB CC(C)CC(=O)Nc1nc2c(s1)COCC2 75442852 IJYNHKDCXQXTCS-UHFFFAOYSA-N 240.328 2.200 0 40 BEAB COc1cc(OC)cc(C2(CN)CCC2)c1 83020883 IUQNGAHZVWXPPZ-UHFFFAOYSA-N 221.300 2.084 0 40 BEAB NCC1CCN(Cc2cc(F)cc(F)c2)CC1 84946751 FCNRPBFFBZUMKX-UHFFFAOYSA-N 240.297 2.136 0 40 BEAB CN[C@H]1CC2(CCNCC2)c2cc(F)ccc21 96062787 PGDSUYHDGOISCT-ZDUSSCGKSA-N 234.318 2.111 0 40 BEAB O=C(Nc1ccc(Cl)cc1O)[C@H]1CCCO1 96484158 KLGNXSWHPGNCED-SNVBAGLBSA-N 241.674 2.163 0 40 BEAB COCCOc1cc(C(=O)O)sc1Cl 96510787 KDDVUCDUJGHOJJ-UHFFFAOYSA-N 236.676 2.125 0 40 BEAB O=C(O)c1cnc(C2CC2)nc1-c1cccnc1 96517110 YBKONHGPFYPXBG-UHFFFAOYSA-N 241.250 2.114 0 40 BEAB CC(C)Cn1cc(N[C@H]2CCO[C@H]2C)cn1 97038679 QXNFVPZDQOOKFI-JQWIXIFHSA-N 223.320 2.128 0 40 BEAB Cc1c(-c2cccs2)[n+](=O)c2c(n1O)CCC2 100433472 KHDNSJWLNUTOFT-UHFFFAOYSA-N 249.315 2.166 0 40 BEAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2C)S1 222555899 OJCJSJJNJMHORN-ATZCPNFKSA-N 233.340 2.318 0 40 BEAB COCc1cc(C(=O)N2CCCC2)ccc1OC 224400132 MTVDYYFIPDZCKL-UHFFFAOYSA-N 249.310 2.078 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1F 225717800 APKZMGFTMSSXLC-OLZOCXBDSA-N 238.281 2.296 0 40 BEAB CC[C@H](C)n1c(CCOC)ccc1C(=O)O 226030472 IZMRHNVEKVTRBW-VIFPVBQESA-N 225.288 2.346 0 40 BEAB CC(=O)c1cccc(N(C)C(=O)C(F)(F)F)c1 226274096 FNAUMXYAAHAFGC-UHFFFAOYSA-N 245.200 2.414 0 40 BEAB C[C@@]12CC[C@@H](C[C@@H]1N)[C@]2(C)CCC(=O)O 242687444 UFZBZBFBJHZVMJ-FSZOTQKASA-N 211.305 2.005 0 40 BEAB CCNC(=O)c1ccccc1NC1CC1 252492169 MEXMJSHIVQMJHU-UHFFFAOYSA-N 204.273 2.011 0 40 BEAB Cc1nn(C(C)C)cc1CNC[C@H]1CCCO1 256053513 RSRNQNZHZRRDDW-CYBMUJFWSA-N 237.347 2.041 0 40 BEAB COc1cccc(N2CCCCCC2)n1 379988207 WFLMCKNPUCDRPJ-UHFFFAOYSA-N 206.289 2.471 0 40 BEAB COc1cnc2cc(F)ccc2c1C(=O)O 685937589 SLNJNHJALREEAK-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB COc1cc(C(=O)O)ccc1C(F)F 1772773660 ZMYRDXLQVKCNFU-UHFFFAOYSA-N 202.156 2.331 0 40 BEAB CC(C)(C)OC(=O)Nc1ccnc2nccn12 1857775644 LZVBBFSWHZQXIY-UHFFFAOYSA-N 234.259 2.076 0 40 BEAB COC(=O)c1ccc(C(F)F)c(OC)c1 1857793137 TWFBZWWIGMIDFT-UHFFFAOYSA-N 216.183 2.419 0 40 BEAB CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 32918990 ZCAKVRDVEBTZMN-LBPRGKRZSA-N 219.284 2.194 0 40 BEAB CC(C)[C@@H]1Cc2c(sc3ncnc(N)c23)CO1 554560 RAKUADSVVIGOAT-QMMMGPOBSA-N 249.339 2.371 0 40 BEAB NCC(=O)c1ccc(Cl)c(Cl)c1 53993670 JDUXXGSLDNSUNQ-UHFFFAOYSA-N 204.056 2.135 0 40 BEAB COCc1cc(Cl)nc(-c2cccnc2)n1 1388930 RBTFSKPPOOHKOI-UHFFFAOYSA-N 235.674 2.338 0 40 BEAB C[C@H](O)c1c(F)cccc1-n1cccn1 35631794 PZSHMJVSVZTRKT-QMMMGPOBSA-N 206.220 2.065 0 40 BEAB in-vitro NC(=O)c1cc(Cl)cc(Br)c1 28278231 IBHVBQAJVLFFCH-UHFFFAOYSA-N 234.480 2.201 0 40 BEAB CCCc1c(-c2ccccn2)noc1N 26512661 AANVULHARBJRIM-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB O=C(NCCc1ccccc1F)c1ccco1 12930785 MCISDMISHOKMAE-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB COC(=O)c1ccnc([C@@H]2CCCCC2=O)c1 4137075 GRDCCZSONAJHRF-JTQLQIEISA-N 233.267 2.095 0 40 BEAB O=Cc1nc2cc(Br)ccc2o1 82360217 DLZGRSOMDWLGFW-UHFFFAOYSA-N 226.029 2.403 0 40 BEAB in-vitro Cc1ccc(CN2CCC[C@@H](C(=O)O)C2)cc1 16941766 BHBYJGVZNPIAMY-CYBMUJFWSA-N 233.311 2.292 0 40 BEAB CC(C)OCCC(=O)N[C@@H]1CCCC[C@H]1C 78416563 QBYKYFLKDCEVOF-VXGBXAGGSA-N 227.348 2.496 0 40 BEAB COC(=O)c1ccoc1CS[C@H](C)[C@H](C)O 79065011 UBRCEEUCLGYNAI-JGVFFNPUSA-N 244.312 2.069 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](c2cc[nH]n2)C1 79069524 WLWKRGQGMWUYIB-VIFPVBQESA-N 237.303 2.134 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1ccc(Cl)cc1Cl 62713469 RGVYVANDZZIXKK-KOLCDFICSA-N 246.137 2.418 0 40 BEAB O=Cc1c(Cl)ccn(Cc2ccccc2)c1=O 38476219 ZMOBCCHASXMNCZ-UHFFFAOYSA-N 247.681 2.363 0 40 BEAB O=c1c2c(oc3c1CCCC3)CCCC2 564588 AHIKXGLHQISDDG-UHFFFAOYSA-N 204.269 2.397 0 40 BEAB biogenic CC1(C)CCc2cc(C(=O)O)ccc2O1 1683464 SYYIRKGALNGKTB-UHFFFAOYSA-N 206.241 2.488 0 40 BEAB biogenic C[C@@H]1Cc2cc(C(=O)O)cc(Cl)c2O1 70453821 YZODWTGDUASAQW-RXMQYKEDSA-N 212.632 2.362 0 40 BEAB Cc1cc2c(c(=O)n1C)[C@@H](CC(C)C)CC(=O)O2 524730240 AVLMRYOKSPUBSC-JTQLQIEISA-N 249.310 2.133 0 40 BEAB biogenic Cc1nc(O)c2c(Br)csc2n1 2362801316 DTYXYWWFJMURBN-UHFFFAOYSA-N 245.101 2.468 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(C)c1 74716985 LLQWAQOSTKAGSP-SNVBAGLBSA-N 241.294 2.012 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)c2ccon2)CC1 188924998 CCIJOPQVZMTSRE-NXEZZACHSA-N 222.288 2.373 0 40 BEAB CC(C)(C)c1cc(C2(CO)CCC2)no1 72220652 QHPYHLJOKMSZCJ-UHFFFAOYSA-N 209.289 2.386 0 40 BEAB Oc1ccccc1-c1nc(-c2ccco2)n[nH]1 40174261 ISJOSPCZLYWQPW-UHFFFAOYSA-N 227.223 2.437 0 40 BEAB CC(=O)c1ccc(OC[C@H]2CCCNC2)cc1 42775791 PWXQXSQWIZQPET-LBPRGKRZSA-N 233.311 2.268 0 40 BEAB C[C@H](CN)Cc1ccccc1OC(F)F 89262699 HZAIRVONBVDNNZ-QMMMGPOBSA-N 215.243 2.425 0 40 BEAB Cn1nc(OCC2CCC2)c2cc(N)ccc21 225770288 ICZXLRGJVDGJBN-UHFFFAOYSA-N 231.299 2.334 0 40 BEAB CC1(C)[C@@]2(CC(N)=S)CC[C@]1(C)C(=O)C2 85398806 UTXWNPUTMIPZSH-NEPJUHHUSA-N 225.357 2.448 0 40 BEAB O=c1cn[nH]c2c(Cl)ccc(Cl)c12 149704945 SAFCAXGFBHSNNW-UHFFFAOYSA-N 215.039 2.230 0 40 BEAB CCOc1cccc(C2=NO[C@@](C)(C(=O)O)C2)c1 96525933 YMJBOSBWGRPSJH-CYBMUJFWSA-N 249.266 2.053 0 40 BEAB CCOC(=O)c1cnc(-c2ccncc2)s1 95751724 XPKPRVJSFMIAOM-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB CCSCC[C@@H](C)NC(=O)c1cccn1C 96433090 OHFSYEPIOWKONW-SNVBAGLBSA-N 240.372 2.287 0 40 BEAB Nc1c(-c2ccc(F)cc2)cncc1[N+](=O)[O-] 95629672 BUOWMYWLKFWCAT-UHFFFAOYSA-N 233.202 2.378 0 40 BEAB Nc1c(O)nc(C2CC2)c2c1CCCC2 256053829 TVHRLXALTZVVTI-UHFFFAOYSA-N 204.273 2.126 0 40 BEAB O=C(O)c1c(Cl)ccc(O)c1Cl 36056255 LHJFBVDNRPBOOW-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB C[C@@H](c1ccncc1)N(C)Cc1ccc(CO)o1 183709692 USMVJVSPQLKJEC-NSHDSACASA-N 246.310 2.360 0 40 BEAB c1ccc(-c2nc(-c3cnccn3)no2)cc1 44548997 KHGKLZHPSITFSZ-UHFFFAOYSA-N 224.223 2.194 0 40 BEAB Cn1cccc1C(=O)Nc1nnc(C2CC2)s1 69055367 ABBKQLMXKNRMNV-UHFFFAOYSA-N 248.311 2.006 0 40 BEAB CN[C@H](CO)c1ccc(C(C)(C)C)cc1 38121223 UGHHHSPAKWZOBK-GFCCVEGCSA-N 207.317 2.237 0 40 BEAB CC1CCC(CNC[C@@H](C)[S@@](C)=O)CC1 95449366 MIINEVSPNZNRLW-HMILFGGKSA-N 231.405 2.169 0 40 BEAB Cc1nnc2c(Nc3ccc(F)cc3)nccn12 1641969844 GPXNBPDIEUXHGA-UHFFFAOYSA-N 243.245 2.315 0 40 BEAB O=C(O)Cc1ccc(-c2ccc(CO)cc2)cc1 220053800 RVCGLPMPJNQRMU-UHFFFAOYSA-N 242.274 2.473 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(=S)S 5497042 TYGIKKCTXUVYPS-AMXGMDGSSA-N 243.397 2.185 0 40 BEAB S=C(Nc1ccccc1)n1ccnc1 16490133 HGFOIYDYPFIOKO-UHFFFAOYSA-N 203.270 2.128 0 40 BEAB C[C@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O 106006 XYDOFTXQCQDRSV-LURJTMIESA-N 244.699 2.089 0 40 BEAB O=C(NC1CCCC1)[C@@H]1Cc2ccccc2O1 7951287 BGLOKDVMPXRUDB-ZDUSSCGKSA-N 231.295 2.049 0 40 BEAB Cc1cc(CN2CCC[C@H](CF)C2)no1 880233386 BZEHEWAWNAYBRP-SNVBAGLBSA-N 212.268 2.165 0 40 BEAB C=C1C(=O)O[C@H]2C[C@@]3(C)[C@H](CCC(C)=O)[C@H]3C[C@@H]12 36427911 AGIQIKMGJVLKMA-PFFFPCNUSA-N 248.322 2.500 0 40 BEAB C[C@H](CC(=O)NC1CC1)c1ccccc1 40459698 LQUASUFVLLOSRS-SNVBAGLBSA-N 203.285 2.459 0 40 BEAB N[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 1665754 HXRLHIFKRUZOOC-AWEZNQCLSA-N 229.279 2.340 0 40 BEAB CCCNC(=O)Nc1ccc2snnc2c1 2499601 HVJKNIYNPAUECE-UHFFFAOYSA-N 236.300 2.223 0 40 BEAB CNC(=S)Nc1ccc(F)c(Cl)c1 2769546 VFVJUDWIOJCNID-UHFFFAOYSA-N 218.684 2.395 0 40 BEAB O=C1C[C@@H]2CCC[C@H](c3ccccc3)[C@@]2(O)O1 4023401 ZMWQOEWNVDTTKC-SCRDCRAPSA-N 232.279 2.206 0 40 BEAB biogenic Cc1ccc(-n2nnnc2SC(C)C)cc1 6522816 CSPZSQUTNYHSAF-UHFFFAOYSA-N 234.328 2.471 0 40 BEAB O=C(NCCCO)c1ccc(Cl)cc1Cl 12020834 SGVPASSCFLRYKD-UHFFFAOYSA-N 248.109 2.106 0 40 BEAB COC(=O)NCc1cccc(Br)c1 13328827 BRQIUVGNNUYTSB-UHFFFAOYSA-N 244.088 2.305 0 40 BEAB COc1cc(O)c2c(c1Cl)C[C@@H](C)OC2=O 13459824 WLUQQWRUOSZKGN-RXMQYKEDSA-N 242.658 2.156 0 40 BEAB biogenic,in-vitro Cc1ncc(C(=O)N2CCCCCC2)c(C)n1 19937086 RJACNHXWGLWTRW-UHFFFAOYSA-N 233.315 2.110 0 40 BEAB CCOc1ccc(N)cc1C(=O)NC(C)(C)C 20155787 ZENAMWFFYCCWOU-UHFFFAOYSA-N 236.315 2.196 0 40 BEAB COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1N 20155909 QYIXLWVSTAXQMR-SNVBAGLBSA-N 248.326 2.150 0 40 BEAB Cc1cccc(-c2cc(C(=O)O)on2)c1 20594012 PDDMXZJKQIWUNQ-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB NC[C@@H](c1ccc(F)c(F)c1)N1CCCC1 22167264 YCCYMMUPEGAVFC-LBPRGKRZSA-N 226.270 2.060 0 40 BEAB O=C(CCc1nc2ccccc2o1)N1CCCC1 32716496 OBQQTWGQXSKMQZ-UHFFFAOYSA-N 244.294 2.383 0 40 BEAB COC(=O)c1[nH]cc(-c2cccc(F)c2)c1N 35462728 LYNFTFXCTKQADX-UHFFFAOYSA-N 234.230 2.190 0 40 BEAB CC(C)Oc1ccc2c(=O)[nH]ccc2c1 36244080 NTGVEFBHUDBVEP-UHFFFAOYSA-N 203.241 2.315 0 40 BEAB CC(C)c1nc2cc(C(=O)O)cnc2o1 40449301 XMSWPBXCXSPCEE-UHFFFAOYSA-N 206.201 2.044 0 40 BEAB Fc1ccc(CO[C@H]2CCCNC2)c(F)c1 42782973 PEWNRHMXXWGOIB-NSHDSACASA-N 227.254 2.233 0 40 BEAB C[C@@H](Oc1cc(Cl)ncn1)c1cnccn1 43220494 BISVYYGPNPYRDN-SSDOTTSWSA-N 236.662 2.060 0 40 BEAB C[C@H](CNCc1ccco1)C(=O)OC(C)(C)C 47219027 GWZNVTPAJOAVCD-SNVBAGLBSA-N 239.315 2.347 0 40 BEAB NC1(Cc2ccccc2Br)CC1 55336007 IXDNPBBWQOAMHU-UHFFFAOYSA-N 226.117 2.483 0 40 BEAB CCOC(=O)c1cnc(C(C)C)nc1Cl 59706728 ZSIWRNBNWBFRCQ-UHFFFAOYSA-N 228.679 2.430 0 40 BEAB COc1ccc(CNc2ccon2)cc1 62716552 XNCXJZIYQYJNKD-UHFFFAOYSA-N 204.229 2.295 0 40 BEAB Cc1cccc2cc3c(nc12)OCCN(C)C3 72392256 XELGSLLEHACMIM-UHFFFAOYSA-N 228.295 2.367 0 40 BEAB C[C@]1(CO)CCC[C@@H]1NC1CCCCC1 89919256 IKLVLXQEMRZBLA-QWHCGFSZSA-N 211.349 2.460 0 40 BEAB CCOC(=O)CCc1ccc(O)cc1C 95080501 AMBQJPDLWOQQDI-UHFFFAOYSA-N 208.257 2.196 0 40 BEAB CCC(CC)Nc1cccc(NC(=O)CO)c1 95991602 BDATYAFREKMYHJ-UHFFFAOYSA-N 236.315 2.218 0 40 BEAB O=CN1CCC2(C=Cc3ccc(F)cc32)CC1 96157398 GRVHKSWCJNYSKD-UHFFFAOYSA-N 231.270 2.343 0 40 BEAB COC[C@H](C)NC[C@H](C)c1cccs1 97017006 CMIZNHIETVTVIO-UWVGGRQHSA-N 213.346 2.476 0 40 BEAB c1ccc2c(c1)CC[C@H](Sc1ncn[nH]1)C2 97103005 YLNZZTPKVQOILE-NSHDSACASA-N 231.324 2.454 0 40 BEAB CCc1n[nH]c(CN(C)CCc2ccccc2)n1 97163318 WRGJTHDIDPZNPG-UHFFFAOYSA-N 244.342 2.042 0 40 BEAB CCN(CC)CCN[C@H]1C[C@H]2CC[C@H]1C2 101616909 LEEFKJRJKNAPOA-AVGNSLFASA-N 210.365 2.106 0 40 BEAB O=C(O)Cc1ccc(O)c(C(F)(F)F)c1 141858524 LNUYEDPDDJNOIR-UHFFFAOYSA-N 220.146 2.038 0 40 BEAB CSCCn1ccnc1[C@H](O)c1ccccc1 195570653 JYNNXNTUQKESLF-GFCCVEGCSA-N 248.351 2.328 0 40 BEAB CCCOCc1cc(C(N)=O)ccc1OCC 224702061 KIWBWOWVCZWZNR-UHFFFAOYSA-N 237.299 2.111 0 40 BEAB CNC(C)(C)c1cn(-c2cccc(F)c2C)nn1 656451495 QJQUSAKWOLLYFC-UHFFFAOYSA-N 248.305 2.169 0 40 BEAB COC(=O)C(F)(F)c1ccc2c(C)[nH]nc2c1 725325424 HFHFEWNUGOYTGC-UHFFFAOYSA-N 240.209 2.136 0 40 BEAB COCCOCC(F)(F)[C@H](F)C(F)(F)F 1083807943 GIVJUMQSUKLHDH-YFKPBYRVSA-N 240.143 2.185 0 40 BEAB CCCCCC[C@@H](O)[C@H](C)CC(=O)NC 1857787641 YNOBDTRTSUIOMS-GHMZBOCLSA-N 215.337 2.090 0 40 BEAB CC1(C)[C@]2(C(=O)N3CCCC3)CC[C@@]1(C)C(=O)C2 167290 DYEOYMXPFGTZNY-LSDHHAIUSA-N 249.354 2.394 0 40 BEAB NCc1cc(Cl)ccc1OC(F)F 36888844 TUCKCIJXTOOLEL-UHFFFAOYSA-N 207.607 2.400 0 40 BEAB in-vitro COc1cccc(Br)c1NC(C)=O 1652217 QLEOCAHPCDUGFN-UHFFFAOYSA-N 244.088 2.416 0 40 BEAB C=CC(=O)NC(=O)Nc1ccccc1Cl 1674973 MDLQVOQBMNOOTC-UHFFFAOYSA-N 224.647 2.174 0 40 BEAB COc1cc(OC)cc(-n2cccc2)c1 1753166 LDOKAWAMZKTGRP-UHFFFAOYSA-N 203.241 2.495 0 40 BEAB NC[C@H](c1ccccc1)c1ccc(N)cc1 2015714 XVFGZOOKEXYXKC-CQSZACIVSA-N 212.296 2.359 0 40 BEAB CCN(CC)CC[C@H](N)c1ccccc1 2538807 KSAIKFIIHCKXGT-ZDUSSCGKSA-N 206.333 2.418 0 40 BEAB CCOC(=O)[C@H]1Cc2ccccc2C(=O)[C@H]1C 4974557 DJRIVYVNVWOOAQ-CABZTGNLSA-N 232.279 2.241 0 40 BEAB CC(C)[C@@H](C)N[C@H](C)c1nnc2ccccn12 36969003 NEFNANGNQCAHHR-GHMZBOCLSA-N 232.331 2.424 0 40 BEAB OCC[C@H]1CCCN([C@H]2C=CCCC2)C1 71904899 SSPBMNXIYBHLLL-OLZOCXBDSA-N 209.333 2.190 0 40 BEAB O=C1N[C@@H](c2ccc(F)cc2)Nc2ncccc21 58157427 SLVRATHNMYUXME-NSHDSACASA-N 243.241 2.075 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)CCCn2ccnc2)C1 58107428 OOSFNDWFGAIFOS-OLZOCXBDSA-N 249.358 2.358 0 40 BEAB CCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccccc1C 58210409 YGRYHWRVYWFUJN-STQMWFEESA-N 249.354 2.467 0 40 BEAB COCC(=O)c1ccc(Br)cc1 36180137 XHHXDICRIOREOZ-UHFFFAOYSA-N 229.073 2.278 0 40 BEAB CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 58342437 XYXPDHMUPJSMRW-UWVGGRQHSA-N 209.676 2.190 0 40 BEAB Cc1cc(C(=O)NCCc2ccccc2F)no1 45293230 SWTRUDXURXQYDF-UHFFFAOYSA-N 248.257 2.095 0 40 BEAB OCCCOc1ccc(Br)cc1 19786140 PFKPRUNICVIARC-UHFFFAOYSA-N 231.089 2.210 0 40 BEAB in-vitro CCc1ccc(OCCNC[C@H]2CCCO2)cc1 19737892 APQOPUMKMWQXNP-OAHLLOKOSA-N 249.354 2.396 0 40 BEAB CC1=NNC(=O)O[C@@]1(C)c1ccccc1 4776600 CWZAHGNWKZHUDH-LLVKDONJSA-N 204.229 2.018 0 40 BEAB c1coc(-c2nnc([C@H]3CCCNC3)s2)c1 26424288 VGQHXSKOTOTVRO-QMMMGPOBSA-N 235.312 2.265 0 40 BEAB COc1ccc(N[C@H](C)CCn2cccn2)cn1 97162467 SBHZNVOLYOKIRZ-LLVKDONJSA-N 246.314 2.177 0 40 BEAB COCCN(C)[C@H](C)Cc1ccccc1OC 75895961 OQFLTOMBCVRIKK-GFCCVEGCSA-N 237.343 2.204 0 40 BEAB CNC(=O)[C@H]1C[C@]12CCCc1ccccc12 95404072 PNPLLXYCHPWYRE-OCCSQVGLSA-N 215.296 2.027 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)c1ccccc1 28573207 TULWXMIDWJIXCG-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CCc1noc(COc2ccc(C(C)=O)cc2)n1 20253785 JYUIOQJHTDTNRP-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB O=C1C=CCCN1C(=O)OCc1ccccc1 34892494 YNVGTWMULFNPCD-UHFFFAOYSA-N 231.251 2.112 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(F)c1 33000205 FXFOWOCDQSUHIW-BXKDBHETSA-N 221.275 2.440 0 40 BEAB Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(N)c1 37401122 PZXZVDPNQRDPIG-QWRGUYRKSA-N 220.316 2.191 0 40 BEAB C[C@@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1 70621191 CWVCDNJHJPPAQD-LDYMZIIASA-N 238.308 2.148 0 40 BEAB Cc1cc([C@@H](N)c2ccccc2)cnc1O 72222724 YZDDVINNUUKRHQ-LBPRGKRZSA-N 214.268 2.144 0 40 BEAB NC(=O)/C=C/c1cccc(Cl)c1Cl 37387373 QDCCBUWHPQGTPE-SNAWJCMRSA-N 216.067 2.492 0 40 BEAB CC(C)Oc1ccc(CN[C@H](C)C(=O)O)cc1 41689518 HUFKXBKHKKFKOP-SNVBAGLBSA-N 237.299 2.037 0 40 BEAB CCOC(=O)c1cnn(-c2ccccc2OC)c1 199728324 IFDFDONYHZMZQN-UHFFFAOYSA-N 246.266 2.058 0 40 BEAB Cc1cc(Cl)nc([C@H]2CCCOC2)n1 82580550 MGYKBBLANQYASV-QMMMGPOBSA-N 212.680 2.332 0 40 BEAB O=C(O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1 95919633 XBDRUHSCAZBDLY-NEPJUHHUSA-N 237.274 2.169 0 40 BEAB COC(=O)c1coc2cccc(OC)c12 144352676 VYNWAZMQVKGQTE-UHFFFAOYSA-N 206.197 2.228 0 40 BEAB COC1(C)CN(C(=O)Nc2ccc(F)cc2)C1 95452937 IKEAOSDGRUWRGO-UHFFFAOYSA-N 238.262 2.078 0 40 BEAB O=C1c2ccccc2CN1Cc1ccncc1 256050411 DXXHDXCWHMSMCC-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB Cc1ccc(C(C)(C)C)c(OCC(N)=O)c1F 279361977 KLSGTZIPMQCUQL-UHFFFAOYSA-N 239.290 2.296 0 40 BEAB O=C(Nc1cccs1)NC1(CCO)CCC1 72312966 WZDBQYMBISVAFT-UHFFFAOYSA-N 240.328 2.175 0 40 BEAB Cc1nc2ccccc2n1C[C@H]1CCOC1 106792629 NDJIBOLMKJRMTR-LLVKDONJSA-N 216.284 2.381 0 40 BEAB C[C@@H](NCc1noc(C2CC2)n1)c1ccncc1 96501579 BUWOYAZGZJHNRG-SECBINFHSA-N 244.298 2.193 0 40 BEAB CC(C)[C@H]1CC[C@H](C)C[C@H]1NC[C@H](C)O 101550201 YPLFTNWYFSSQHA-WUHRBBMRSA-N 213.365 2.418 0 40 BEAB O=C(c1cccnc1)N1[C@H]2C=CC[C@H]1CC2 211133248 IKQXBEVKJNLUCA-RYUDHWBXSA-N 214.268 2.015 0 40 BEAB c1cc2cc(CNC[C@@H]3CCCO3)ccc2[nH]1 15424191 LWRYQDACORKGRQ-ZDUSSCGKSA-N 230.311 2.437 0 40 BEAB NC[C@H](c1cccs1)N1CCCCC1 19342945 XOGNXYLXQMWUGN-SNVBAGLBSA-N 210.346 2.234 0 40 BEAB OC1(Cc2cccc(F)c2Cl)CCNCC1 167119747 QJEJEFDTVWKFBF-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CN(C)[C@H](CNc1ncccn1)c1ccccc1 7003460 MMBWRKVMICHSEQ-CYBMUJFWSA-N 242.326 2.191 0 40 BEAB CN[C@H]1CCCN(C(=O)OCc2ccccc2)C1 39951997 NTHKMYRCEUJLOL-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB in-vitro CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1)C2 2485404 OEEGGTCSQOZQJO-CHWSQXEVSA-N 217.312 2.131 0 40 BEAB CO[C@@H](CNC(=O)NC(C)(C)C)c1ccco1 206868023 ORKWAJRNAZXBCE-JTQLQIEISA-N 240.303 2.065 0 40 BEAB CCC[C@H](C(=O)OC)N1CCCC[C@@H]1C 22538655 XCUSXHHSDBPAFM-WDEREUQCSA-N 213.321 2.203 0 40 BEAB CC(=O)c1cnn(Cc2ccccc2)c1 40435219 NOKBKNYKUSDAPF-UHFFFAOYSA-N 200.241 2.134 0 40 BEAB in-vitro Cc1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 40040483 IELHZZXYYUJGSK-UHFFFAOYSA-N 243.310 2.001 0 40 BEAB CC(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 1456900 DDEQUIASKFRODF-NWDGAFQWSA-N 203.285 2.315 0 40 BEAB COC(=O)[C@H]1CC[C@@](C)(C(C)=O)C1(C)C 3845934 WOEAGAZKQHACRT-SKDRFNHKSA-N 212.289 2.191 0 40 BEAB biogenic CCOC(=O)c1sc(NC2CC2)nc1C 4294241 XOAFRGSMEORAIV-UHFFFAOYSA-N 226.301 2.203 0 40 BEAB in-vitro c1ccc2c(c1)ncn1nc(-c3ccncc3)nc21 5012997 YYPFFQHONLZIET-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB Sc1nnnn1-c1ccc2ccccc2c1 6557818 JVUHNRBYOXLUKL-UHFFFAOYSA-N 228.280 2.104 0 40 BEAB CC(=O)N1CC=C(c2ccc(O)cc2)CC1 7986272 BRVDNGAEPQQJOY-UHFFFAOYSA-N 217.268 2.028 0 40 BEAB in-vitro COc1cccc(NCC(C)(C)C(=O)O)c1 8702833 UWTQZKSKJXAXSV-UHFFFAOYSA-N 223.272 2.218 0 40 BEAB Nc1cc(C2CC2)nn1Cc1ccccc1 12397825 BBTTUUJCXZOFBU-UHFFFAOYSA-N 213.284 2.391 0 40 BEAB C[C@@H](NC(=O)c1cnccn1)c1ccccc1F 12900496 NTHNZHKQSKKVQV-SECBINFHSA-N 245.257 2.107 0 40 BEAB CSc1ccccc1C(=O)N1CCC1 12978539 VTXFOEMWYAUKLT-UHFFFAOYSA-N 207.298 2.254 0 40 BEAB O=C1C[C@]2(c3ccccc3)CCCCC2=NN1 17324694 GSULRLDWYCGBFQ-AWEZNQCLSA-N 228.295 2.374 0 40 BEAB Cc1ccc(F)cc1NC(=O)C1CCNCC1 19408738 AIBPHQBPJJROJX-UHFFFAOYSA-N 236.290 2.072 0 40 BEAB COc1ccc2c(c1)C[C@H](C1CCOCC1)NC2 19562516 UAALEBLRNCVMDA-OAHLLOKOSA-N 247.338 2.136 0 40 BEAB Nc1cc(NC(=O)c2ccco2)ccc1F 20157458 BYDCSPUBWYVHDV-UHFFFAOYSA-N 220.203 2.253 0 40 BEAB in-vitro CC(C)c1ccc(C2=NO[C@@H](C(=O)O)C2)cc1 20594093 ZJWKFUQHRGKTOA-GFCCVEGCSA-N 233.267 2.388 0 40 BEAB Cc1ccc(NC(=O)C2CCOCC2)cc1F 24636195 BAXWICKVGLEBFN-UHFFFAOYSA-N 237.274 2.499 0 40 BEAB CCOC(=O)c1cc(N)c(C)c(Cl)c1 26508352 MXHLXNBXEDXARV-UHFFFAOYSA-N 213.664 2.407 0 40 BEAB CCN(CC)C(=O)c1cn2c(C)cccc2n1 32892708 XBAFGDCECYDAEU-UHFFFAOYSA-N 231.299 2.125 0 40 BEAB O=C(NCC1CC1)c1ccc2ccccc2n1 32906068 MNZOECPFMQDAQN-UHFFFAOYSA-N 226.279 2.375 0 40 BEAB NCc1csc(-c2ccc(F)cc2)n1 35154829 KXBYBKPFGPHRKC-UHFFFAOYSA-N 208.261 2.408 0 40 BEAB in-vitro CCc1sc(C(=O)NCCCOC)cc1C 40462291 MFXZWFMEALVMPR-UHFFFAOYSA-N 241.356 2.385 0 40 BEAB COCC(=O)N(C)Cc1ccc(Cl)s1 45603180 JWNQEEKNIJTJCK-UHFFFAOYSA-N 233.720 2.006 0 40 BEAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CCOC1 69311125 MHBDSUNABQRGHC-VXGBXAGGSA-N 227.348 2.356 0 40 BEAB COCc1ccc(-c2cnc(C=O)o2)cc1 72219833 IYVYUMMETAAVJZ-UHFFFAOYSA-N 217.224 2.301 0 40 BEAB O=C(O)c1cc(-c2ccccc2Cl)ncn1 82334090 SLRACBRCGJYCHF-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB Cc1nccc(-c2ccc(O)c(C)c2)n1 82912361 AKSPUPQKPQOKOV-UHFFFAOYSA-N 200.241 2.466 0 40 BEAB O=C(O)CC[C@@H]1CNc2ccccc2C1 84771610 FJIZHKFEKQACGX-VIFPVBQESA-N 205.257 2.136 0 40 BEAB Cc1nc(Nc2cccnc2)sc1C(=O)O 87656441 YNCHPIJBMYKRRE-UHFFFAOYSA-N 235.268 2.288 0 40 BEAB CN1CCCN(c2ccnc3ccsc23)CC1 89382480 KWYDFXJWSPTLKY-UHFFFAOYSA-N 247.367 2.438 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCNC[C@@H]2C)c1C 94345003 KBLVNRQZEBKUOV-SMDDNHRTSA-N 246.354 2.031 0 40 BEAB Cc1ccoc1C(=O)N1CCOC2(CCCC2)C1 95422751 OXLGPZQTMBCDPC-UHFFFAOYSA-N 249.310 2.373 0 40 BEAB C[C@H]1CCC[C@H](C)N1CCOC[C@@H]1CCCO1 96421114 BZKFNNNEUOGECC-IHRRRGAJSA-N 241.375 2.445 0 40 BEAB CC[C@H](O)CN[C@@H](C)c1ccc(F)cc1F 96490719 RYXRORKABVYDHH-WPRPVWTQSA-N 229.270 2.386 0 40 BEAB COC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 96491405 XZYWTQCGIVUVCW-NSHDSACASA-N 235.327 2.115 0 40 BEAB Cc1nn2c(c1C(=O)O)N[C@@H](c1ccccc1)C2 96530331 JDUQHGKLVIXIBT-SNVBAGLBSA-N 243.266 2.057 0 40 BEAB O=C(Nc1ccccn1)[C@@H]1C[C@H]2CC[C@H]1C2 102583416 ICUGUWHKSGQUFZ-GARJFASQSA-N 216.284 2.456 0 40 BEAB Cc1ccn2c(-c3ccn[nH]3)c(C)nc2c1 102999091 ZNRUSTFXUSPVPD-UHFFFAOYSA-N 212.256 2.341 0 40 BEAB in-vitro CC(C)(CCO)NC(=O)OCc1ccccc1 125928910 GEJKERWHEUXCQQ-UHFFFAOYSA-N 237.299 2.074 0 40 BEAB NCc1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 217622194 VXCMJHSSHQVAMK-ZJUUUORDSA-N 225.295 2.453 0 40 BEAB C[C@@H]1O[C@@H](CCN)C[C@@H]1Cc1ccccc1 225750350 SKEWEKXQTREGSI-UBHSHLNASA-N 219.328 2.372 0 40 BEAB CNC(=O)c1ccc2sc(Cl)nc2c1 225973315 IHXCTSJAALKRMF-UHFFFAOYSA-N 226.688 2.309 0 40 BEAB c1cc2cc(C[C@@H]3CCCNC3)cnc2[nH]1 257304896 SNOMDWXTFNDAFR-JTQLQIEISA-N 215.300 2.105 0 40 BEAB CC(C)OCc1nn(CCF)cc1Cl 408715301 HKQAABVPNUBGIT-UHFFFAOYSA-N 220.675 2.431 0 40 BEAB N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 536948752 VFRUKJZCIJIQFD-FXBDTBDDSA-N 224.101 2.046 0 40 BEAB Cc1nc(CN2c3ccccc3CC2(C)C)n[nH]1 585123563 ZZQOAOAQLXHEMA-UHFFFAOYSA-N 242.326 2.454 0 40 BEAB COC[C@@H]1CCN1C(=O)Nc1csc(C)c1 640639689 BUYASECGUMGGDK-JTQLQIEISA-N 240.328 2.309 0 40 BEAB CC(=O)Nc1ccc(Oc2cnccn2)cc1 3408455 UVNXLLZBPWRSCW-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB COc1c(Br)ccc(C)c1C(=O)O 3848135 APOARSSCSJLLOD-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB biogenic N[C@H](c1ccc2c(c1)OCCO2)c1ccco1 4997846 MDZMAVNONYUYSJ-CYBMUJFWSA-N 231.251 2.099 0 40 BEAB C[C@H](NCCCN(C)C)c1ccccc1 8768034 ANURUDOSSBBQBL-LBPRGKRZSA-N 206.333 2.289 0 40 BEAB CNC(=O)CSc1ccc(C)cc1C 12981279 YXFBQRUWQOKUMB-UHFFFAOYSA-N 209.314 2.142 0 40 BEAB CCN(CC)Cc1cccc(C(=O)O)c1 15418191 KOLMZGIDCNVGEI-UHFFFAOYSA-N 207.273 2.227 0 40 BEAB C/C=C/C[C@@]1(CCC)C(=O)NC(=S)N=C1O 17289017 DASWMKWTPHZQNX-HWKANZROSA-N 240.328 2.110 0 40 BEAB O=C(Nc1nncs1)c1cc(F)ccc1F 19074472 UYWSWDVEUDMHLC-UHFFFAOYSA-N 241.222 2.069 0 40 BEAB C[C@H](NC(=O)C1CCOCC1)c1cccs1 23271781 XMWUGZGMVPRVIJ-VIFPVBQESA-N 239.340 2.352 0 40 BEAB C[C@H](NC(=O)c1cnn(C)c1)c1ccccc1F 23545018 LCUYRFMWDCQSDQ-VIFPVBQESA-N 247.273 2.050 0 40 BEAB N/C(=C(/N)c1ccccc1)c1ccccc1 24716871 TXVWTOBHDDIASC-BUHFOSPRSA-N 210.280 2.430 0 40 BEAB CSCC(=O)N[C@H]1CCc2ccccc21 25398381 WXTZYVIXHUWMQW-NSHDSACASA-N 221.325 2.153 0 40 BEAB Cc1cccc(CN(CCN)C(C)C)c1 32011646 OFIIYEDMVWNJLV-UHFFFAOYSA-N 206.333 2.164 0 40 BEAB CCCn1ccc(C(=O)N2CCC(C)CC2)n1 32648274 OLERTZUCOUEBJR-UHFFFAOYSA-N 235.331 2.165 0 40 BEAB CC(C)NCc1ccc(-n2ccnc2)cc1 34652029 BFFHEGULFDWRIU-UHFFFAOYSA-N 215.300 2.370 0 40 BEAB CNCc1cc(OC)ccc1OC(C)C 34655785 QYUUFBNDWQGXLF-UHFFFAOYSA-N 209.289 2.202 0 40 BEAB C[C@@H]1CCCN(c2nsnc2Cl)C1 35232141 RJUORRFFGRRLTL-ZCFIWIBFSA-N 217.725 2.428 0 40 BEAB CCC(CC)C(=O)NCCc1cscn1 36103937 UWBOWNSGPIPUPD-UHFFFAOYSA-N 226.345 2.238 0 40 BEAB COc1ccc2c(c1)sc1nc(CO)cn12 36456947 ORNBQIBEFMMLKI-UHFFFAOYSA-N 234.280 2.050 0 40 BEAB Cn1c(CNCC2CC2)nc2ccccc21 36884435 QATVBCYDUJBVNP-UHFFFAOYSA-N 215.300 2.073 0 40 BEAB COC(=O)c1sc2ncc(C=O)cc2c1C 39947472 STGGBWBCBIHFBJ-UHFFFAOYSA-N 235.264 2.204 0 40 BEAB in-vitro C[C@H](S[C@H](C)C(N)=O)c1ccccc1F 48681396 JHDFKNYBYMQRGO-JGVFFNPUSA-N 227.304 2.494 0 40 BEAB CC(C)(C)c1cn2cc(C(=O)O)ccc2n1 49646734 HCQNLKXWRDAHMO-UHFFFAOYSA-N 218.256 2.330 0 40 BEAB O=C(Nc1cccc2[nH]ccc12)N1CCOCC1 71803360 PZTGTESJKDXIBJ-UHFFFAOYSA-N 245.282 2.032 0 40 BEAB CCn1nnc2cc(Br)ccc21 72206785 ZCGRUVGQYLBCNZ-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@H](N)C(C)(C)C 72208910 VUWSUDMNWJUZAL-IUCAKERBSA-N 230.352 2.273 0 40 BEAB CCCN1CCC[C@@H]1c1ccc(O)nc1 72212257 BNOMTBWRTXVTRI-LLVKDONJSA-N 206.289 2.334 0 40 BEAB CCOCCCC(=O)Nc1cccnc1C 73347794 MLFGHVWEZWHNPN-UHFFFAOYSA-N 222.288 2.145 0 40 BEAB CC(C)n1ncc(Br)c1C=O 75844304 YIQDSBIAKZETPH-UHFFFAOYSA-N 217.066 2.039 0 40 BEAB Cc1c(CCC(=O)O)c(=O)oc2ccccc12 82103792 NNZQZCTXWAIQQV-UHFFFAOYSA-N 232.235 2.119 0 40 BEAB CCC(=O)c1cncc(Br)c1 84199256 VAAJPSJYQAMKLK-UHFFFAOYSA-N 214.062 2.437 0 40 BEAB CN[C@H]1C[C@H](Oc2ccccc2)C1(C)C 85520008 AUBPIXRPSSUKAZ-RYUDHWBXSA-N 205.301 2.452 0 40 BEAB in-vitro Ic1cc2cnccc2[nH]1 88190125 CVHPZAJQSHPDRC-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB in-vitro CC[C@@H]1CN(c2ncccc2Cl)CCO1 88700216 XYXQLBSLORLXMX-SECBINFHSA-N 226.707 2.350 0 40 BEAB O=c1onc(-c2ccccn2)n1[C@@H]1C=CCCC1 89884674 JNXCDYVOWFUGOB-SNVBAGLBSA-N 243.266 2.180 0 40 BEAB COc1ccc2c(c1)[C@@](O)(c1cccnc1)CC2 92857530 OJVFKPMCIBBWMF-HNNXBMFYSA-N 241.290 2.272 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)c1ncc(F)cn1 95629780 HNXHBDFOMABPAW-ZETCQYMHSA-N 241.266 2.201 0 40 BEAB CCOC(=O)C(=O)c1ccccc1OC(F)F 95634647 OVZMJEOPXOLJSL-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB Cc1c2nc(C(C)C)nc(Cl)c2nn1C 96298941 MOWGGVGDHLAILZ-UHFFFAOYSA-N 224.695 2.449 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1Nc1cccc(F)n1 96427227 RILYTQYABVNSCC-CABZTGNLSA-N 224.279 2.184 0 40 BEAB COCCCCC(=O)Nc1c(O)cccc1F 96436571 JSNCVJUAHQFCDZ-UHFFFAOYSA-N 241.262 2.287 0 40 BEAB C[C@@H](Cc1ccc(Br)cc1)C(N)=O 96487409 VNVHVVCGGLSQIF-ZETCQYMHSA-N 242.116 2.113 0 40 BEAB Cc1ccccc1C[C@H](C)NCC1(CO)CC1 97017191 IWMDHDRLOLUAGS-ZDUSSCGKSA-N 233.355 2.288 0 40 BEAB CC(C)(C)N(C=O)[C@H]1C[C@H]2CCCC[C@@H]2CN1 98073410 OYSOEADLBFGGKM-UPJWGTAASA-N 238.375 2.369 0 40 BEAB CC1(C)[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 102360796 PQLRXIXGSUDQKA-IUCAKERBSA-N 205.257 2.008 0 40 BEAB CS[C@@H]1CCC[C@@H]1N(C)Cc1ccno1 110646536 QDLCEWFDBKAZHQ-WDEREUQCSA-N 226.345 2.391 0 40 BEAB Cc1nc2c(N)cc(C(=O)OC(C)C)cn2c1C 138504141 RJUBUKNWPYQPPJ-UHFFFAOYSA-N 247.298 2.099 0 40 BEAB Cc1nc2ccc(C(=O)N(C)C)cc2s1 147986544 LUJKDOVDOTVZMS-UHFFFAOYSA-N 220.297 2.307 0 40 BEAB COCOc1cccc(F)c1[Si](C)(C)C 195879193 HQZKWEHHTXIDTG-UHFFFAOYSA-N 228.339 2.354 0 40 BEAB C[C@@H]1C[C@]1(CN)[C@@H](O)c1cccc(Cl)c1 216576347 XBJANVHKFVLHTL-JFUSQASVSA-N 225.719 2.358 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1ccc(F)c(F)c1F 218689028 SLQSPHHAZOAQAM-WDSKDSINSA-N 216.158 2.292 0 40 BEAB CCN(CCCC(=O)O)c1cccc(OC)c1 224997373 CDWBGLXRPDZJCL-UHFFFAOYSA-N 237.299 2.386 0 40 BEAB CCO[C@@H](Cc1cc(C)ccc1OC)C(=O)O 225119041 SYIJFVBOPMAZAP-LBPRGKRZSA-N 238.283 2.036 0 40 BEAB C[C@H](N)c1nc([C@H]2CCCSCC2)no1 575415023 JKBMUVKUIXMOCV-YUMQZZPRSA-N 227.333 2.090 0 40 BEAB Cc1nc(-c2ccc(Cl)cc2)cn(O)c1=O 1400345 CPTBTZRYUQXQKL-UHFFFAOYSA-N 236.658 2.109 0 40 BEAB CC(C)(C)NC(=O)/C=C/c1ccc2c(c1)OCO2 1480365 VKJNKBBKCACFJY-FNORWQNLSA-N 247.294 2.343 0 40 BEAB CCOC[C@@H]1CO[C@@H](c2ccccc2)O1 1676077 FQZXEIINCWCJOF-VXGBXAGGSA-N 208.257 2.137 0 40 BEAB O=C(Nc1nccs1)c1ccc(Cl)nc1 2622535 XZDLQEKOMAGVDT-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CC1=CCNN1C(=S)Nc1ccccc1 3040659 ZGQLTAOYEUDDAZ-UHFFFAOYSA-N 219.313 2.107 0 40 BEAB Cc1cc(C(=O)NC(C)(C)C)c(C)n1C 8052000 SOOKIGOMIGDALH-UHFFFAOYSA-N 208.305 2.170 0 40 BEAB COc1ccc2c3c(/c(=N\N)oc2c1)CCCC3 9418467 WEVCLIUCMQPGQT-JQIJEIRASA-N 244.294 2.095 0 40 BEAB OC[C@@H]1CCCN1Cc1ccccc1Cl 11727387 BFYLBYRGTUNXPO-NSHDSACASA-N 225.719 2.297 0 40 BEAB in-vitro O=C(NC1CCCC1)c1ccc2nnsc2c1 12274816 LJVOANRUXLWHPC-UHFFFAOYSA-N 247.323 2.364 0 40 BEAB Cc1noc(C)c1CC(=O)Nc1ccccc1O 12880142 SSZWUJWUCLMFIJ-UHFFFAOYSA-N 246.266 2.178 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1C 12984710 FTVIOYWIJQZVJZ-GZMMTYOYSA-N 247.294 2.376 0 40 BEAB Oc1ccn(-c2ccc(Br)cc2)n1 14985505 AIQKPBULDITRRA-UHFFFAOYSA-N 239.072 2.340 0 40 BEAB CCOc1cc(CNC(C)C)ccc1O 19880368 GBNGJHKXBPDTBG-UHFFFAOYSA-N 209.289 2.289 0 40 BEAB OC1CCC(NCc2ccc(F)cc2)CC1 19918456 CEKDSILVRRSOTF-UHFFFAOYSA-N 223.291 2.219 0 40 BEAB COCCNC(=O)CCc1ccc(Cl)cc1 28575608 YDKUQGOWHIJJJM-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB C[C@H](N(C)C(=O)[C@@H]1CCCO1)C(C)(C)C 32788078 UOAHSSYILILMGF-UWVGGRQHSA-N 213.321 2.058 0 40 BEAB Cc1cccc(CNC(=O)NC(C)C)c1 32794786 MQBDNDVSPSCUAN-UHFFFAOYSA-N 206.289 2.203 0 40 BEAB Cc1ccccc1CN1CCC[C@H]1C(=O)N(C)C 32851154 PEZMFYRQFFKZHX-AWEZNQCLSA-N 246.354 2.048 0 40 BEAB CCOc1ccc2oc(C(=O)NC)c(C)c2c1 32999440 YZDRZERDOQYFFG-UHFFFAOYSA-N 233.267 2.500 0 40 BEAB Cc1csc(CCNC(=O)c2ccoc2)n1 36393611 ODCYEJGBPLGBIV-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB O=C1CCN(c2ccccc2Br)C1 37240053 OVVVMGRQTISQSU-UHFFFAOYSA-N 240.100 2.228 0 40 BEAB CC(C)Cc1nc([C@H]2CCCCN2)no1 40443496 BXKODDVEAPYOOT-SECBINFHSA-N 209.293 2.083 0 40 BEAB CC(C)(C)NCc1ccc(OCC(=O)O)cc1 62716774 NVVZCPTWNIMBEB-UHFFFAOYSA-N 237.299 2.038 0 40 BEAB COCC(=O)N[C@H](C)c1ccc(C)cc1C 70250894 FNRHMQSNPHGLRU-LLVKDONJSA-N 221.300 2.127 0 40 BEAB CCN(CC)c1ncc([C@@H](C)N)cc1C 72222228 HBZLUNJEIDPXSK-SNVBAGLBSA-N 207.321 2.256 0 40 BEAB O=C(c1ccncc1F)N1Cc2ccccc2C1 78111935 TXGSEIZLHICOCN-UHFFFAOYSA-N 242.253 2.377 0 40 BEAB CNC[C@H]1CCCN1C(=O)OCc1ccccc1 79437108 NCMQXKLVNCDNLT-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB CCN(C(=O)OCc1ccccc1)[C@H]1CCNC1 79437773 USBGEPBAMFJQED-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1 82164376 ZLVXMRWSDDVRFP-DOMZBBRYSA-N 247.386 2.210 0 40 BEAB in-vitro COc1c(F)cccc1NCc1ccc(=O)[nH]c1 83378194 DJGFNKJOFIIHLM-UHFFFAOYSA-N 248.257 2.135 0 40 BEAB CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](O)C1 89947816 PHDUHBDXQQNBJM-OLZOCXBDSA-N 223.291 2.343 0 40 BEAB CCCCCNC(=O)N(CC(C)(C)O)C(C)C 89953447 ULEWEWLNGFPXGI-UHFFFAOYSA-N 244.379 2.368 0 40 BEAB Oc1nc(C(F)(F)F)cc(C(F)(F)F)n1 94986249 JWPLYXFCYGZTEP-UHFFFAOYSA-N 232.083 2.220 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCc2cn[nH]c21 95348228 UNPDFDSZXIRIEB-VIFPVBQESA-N 237.303 2.312 0 40 BEAB in-vitro Cc1nnc(NCc2ccc(F)cc2)o1 95398736 MJRDUMVSVHZMMO-UHFFFAOYSA-N 207.208 2.129 0 40 BEAB CCCCS(=O)(=O)N1C[C@@H]2CCCCC[C@@H]21 95469608 XMBKAALJJLTTAQ-RYUDHWBXSA-N 245.388 2.381 0 40 BEAB C[C@H](N[S@](=O)C(C)(C)C)c1ccc(F)cn1 95630767 BAWJTWRNDKQESC-PWJLMRLQSA-N 244.335 2.334 0 40 BEAB CCCN1CCc2ncnc(NC(C)C)c2CC1 96255537 WIEUQQGNEJLXJO-UHFFFAOYSA-N 248.374 2.108 0 40 BEAB COCCNC(=O)N1CC[C@@H](C)c2ccccc21 96998313 OUWPEUKGJLIYCM-LLVKDONJSA-N 248.326 2.356 0 40 BEAB C[C@@H](CCn1cccn1)Nc1cccc(O)c1 97104740 DLIWRNKAHZOYMD-NSHDSACASA-N 231.299 2.479 0 40 BEAB COc1cc2c(c([N+](=O)[O-])c1OC)C[C@H]1C[C@H]21 105923817 QEIJOZIJVWLNGV-RQJHMYQMSA-N 235.239 2.272 0 40 BEAB Cc1cccc(CCCn2ccnn2)c1 128060886 NMFNCUZLAALNOV-UHFFFAOYSA-N 201.273 2.219 0 40 BEAB CN[C@H]1CC[C@H](Cc2cccnc2)CC1 257312688 UPCNFUGRVLSIEE-AULYBMBSSA-N 204.317 2.402 0 40 BEAB FC(F)(F)C1CCN(c2nncs2)CC1 334648944 OJODAGPUEJGFCC-UHFFFAOYSA-N 237.250 2.317 0 40 BEAB CNC(=O)Nc1cccc(-n2cccc2)c1 390834366 XFFYZKVDACPOMP-UHFFFAOYSA-N 215.256 2.229 0 40 BEAB COCc1c(Br)cnn1C(C)C 408716833 RLLYLVBLAIOCKN-UHFFFAOYSA-N 233.109 2.373 0 40 BEAB CN1CC(=O)N[C@@H]1c1cccc(CC2CCC2)c1 864373111 DJWIWVGSJJFXKM-HNNXBMFYSA-N 244.338 2.089 0 40 BEAB Cn1ccc2nc(Br)ccc21 952959181 LZVQCZDUHALESW-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1 4666528 SIJBEDJNWKDAJV-JQWIXIFHSA-N 218.300 2.390 0 40 BEAB CC(=O)CC(=O)N[C@@H]1CCCc2ccccc21 6022405 DCVWAHNIZCZREQ-CYBMUJFWSA-N 231.295 2.159 0 40 BEAB CCc1ccccc1NC(=O)c1ccc(=O)[nH]c1 7724263 JXMZDZPDVJXBTR-UHFFFAOYSA-N 242.278 2.190 0 40 BEAB CC(C)NC(=S)Nc1ccc2cn[nH]c2c1 8686145 WCRYOLALTLEQSJ-UHFFFAOYSA-N 234.328 2.258 0 40 BEAB COCCCNC(=O)CCc1ccc(C)cc1 10324085 HVEOGEOSROBQFF-UHFFFAOYSA-N 235.327 2.080 0 40 BEAB COCCNc1nc(Cl)nc2ccccc12 11756103 IYZIZOKBENMXLG-UHFFFAOYSA-N 237.690 2.342 0 40 BEAB CC[C@@H](Cc1ccc(OC)c(OC)c1)C(=O)O 11976894 HZMMSRSCPZPKDD-JTQLQIEISA-N 238.283 2.357 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(OC)nc1 12537898 URKZJDXDWQXZPM-QMMMGPOBSA-N 208.261 2.075 0 40 BEAB COc1cccc(OCC2CCNCC2)c1 14631445 BJWGYFBJEZCOEG-UHFFFAOYSA-N 221.300 2.074 0 40 BEAB O=C(NC1CC1)c1cc2ccccc2[nH]1 14796789 TUNKGZSCYRKABZ-UHFFFAOYSA-N 200.241 2.060 0 40 BEAB CCOC(=O)c1cc2cc(C=O)ccc2o1 22996441 HPIWMMIIJOHZJI-UHFFFAOYSA-N 218.208 2.422 0 40 BEAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CC1 27988269 WTFCAZOCJOHOAB-UHFFFAOYSA-N 234.343 2.228 0 40 BEAB Cc1cc(C(=O)NCCc2ccccc2C)on1 32740815 OTWPLJRRYCIEGO-UHFFFAOYSA-N 244.294 2.264 0 40 BEAB COC(=O)CCCN(C)c1ccccc1 37286310 AWSLEHLTQLYNAY-UHFFFAOYSA-N 207.273 2.076 0 40 BEAB CCONC(=O)COc1cccc(C(C)C)c1 40105448 KNBXIJLOOKIFBT-UHFFFAOYSA-N 237.299 2.257 0 40 BEAB CO[C@@H](CNC(=O)C=C(C)C)c1ccccc1 42750861 AAAAVBYIMNPDDT-ZDUSSCGKSA-N 233.311 2.457 0 40 BEAB COc1cccc2sc(C(=O)O)nc12 45238157 NWMAUPHPBMBEEY-UHFFFAOYSA-N 209.226 2.003 0 40 BEAB c1cc(-c2noc(CN3CCCC3)n2)cs1 58049878 DAORQMHKOIINFL-UHFFFAOYSA-N 235.312 2.394 0 40 BEAB CCO[C@@H](C)C(=O)NCc1sccc1C 58330591 JLOFDTUGOQUDQB-VIFPVBQESA-N 227.329 2.098 0 40 BEAB CC(C)(C)n1nnnc1SC1CCCC1 60346730 GNIUCXLADCYUCP-UHFFFAOYSA-N 226.349 2.463 0 40 BEAB Cc1ccc(CNC(=O)c2ccc(F)nc2)o1 70084148 BODCGHGVWPDABP-UHFFFAOYSA-N 234.230 2.052 0 40 BEAB CCO[C@@H]1C[C@H](NC(=O)c2ccco2)C1(C)C 71915434 QYDBPKWSDRVGTN-WDEREUQCSA-N 237.299 2.213 0 40 BEAB Nc1ccc2oc(N3CCCCC3)nc2c1 72220944 HUBLYOMFVGUXJJ-UHFFFAOYSA-N 217.272 2.400 0 40 BEAB Cc1cc(N2CCCCCC2)ncc1CCO 72223539 ZXKUCVDKPYQIQH-UHFFFAOYSA-N 234.343 2.305 0 40 BEAB CC[C@@H](O)c1ccc(N(C)CC)nc1C 72224280 LGWPPWGQSSMPAY-LLVKDONJSA-N 208.305 2.290 0 40 BEAB O[C@H](C[C@@H]1CCCN1)c1ccc(F)cc1 82164141 UTJNCRYNTQHBFX-NWDGAFQWSA-N 209.264 2.001 0 40 BEAB in-vitro CN1CCC(=O)c2cc(Br)ccc21 82328014 IIBQTBPBZVNIKV-UHFFFAOYSA-N 240.100 2.472 0 40 BEAB COC(C)(C)c1noc(-c2ccncc2F)n1 85237739 SLKSMGPAYIIETP-UHFFFAOYSA-N 237.234 2.152 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC1CCSCC1 89919266 AXDXLOYECWKQME-VXGBXAGGSA-N 229.389 2.023 0 40 BEAB CC(C)(CCO)CNC[C@H]1CC=CCC1 95434070 UHHPQXOMGSBNRQ-LBPRGKRZSA-N 211.349 2.341 0 40 BEAB Cc1nc(N)sc1-c1cncc(C2CC2)n1 95629773 OQKGUKVQNGLFNM-UHFFFAOYSA-N 232.312 2.368 0 40 BEAB Cc1ccc(CN(C)[C@@H]2CCSC2)nc1 96485542 RBDFRWPMQKJHFS-GFCCVEGCSA-N 222.357 2.327 0 40 BEAB O=C(O)c1nc(Cl)ccc1OC(F)(F)F 118588085 FAUXVMHIRXXEHI-UHFFFAOYSA-N 241.552 2.332 0 40 BEAB Cc1cc([C@@H](C)NN)ccc1Br 161794785 JDNYDHWZRSREPJ-SSDOTTSWSA-N 229.121 2.282 0 40 BEAB COc1ccc2ccc(OCCN)cc2c1 216758815 FWKKCFAQANEFMN-UHFFFAOYSA-N 217.268 2.186 0 40 BEAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)O 217835315 KYSNDLGMJKQKME-JTQLQIEISA-N 246.266 2.033 0 40 BEAB COc1ccc(N[C@H]2CCCC[C@@H]2N)cc1 218682639 DHUWBPYQXYJHQL-STQMWFEESA-N 220.316 2.377 0 40 BEAB c1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218831491 DWNQWSQAKMLZFG-ZIAGYGMSSA-N 216.328 2.407 0 40 BEAB CC1(C)CC(=O)[C@H]2C(c3cccs3)=NN[C@@H]2C1 228921819 SBTWTTZVJMNJSG-KCJUWKMLSA-N 248.351 2.429 0 40 BEAB FC(F)n1ccc(COCC(F)(F)F)n1 408716841 RPEAJHVMZUJYHZ-UHFFFAOYSA-N 230.136 2.357 0 40 BEAB Cc1noc(-c2cnc(Cl)nc2Cl)n1 585090171 AOTNQJSCHUJMCD-UHFFFAOYSA-N 231.042 2.142 0 40 BEAB Cc1ncnc(O[C@@H]2CCC[C@H]2F)c1C 1776008999 FLHAFZJTHVGUJY-NXEZZACHSA-N 210.252 2.363 0 40 BEAB COC(=O)c1cnc2cccc(C)c2c1 1857793908 UCTWIJHHYLEBLL-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB C[C@@]1(O)CC[C@@H](NC(=O)OCc2ccccc2)C1 1857794761 QVJNWIGBKYIEKS-TZMCWYRMSA-N 249.310 2.216 0 40 BEAB Cn1cnc(-c2cccc(Cl)c2F)n1 2362801672 NBMYNZMILFKFOE-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB COc1cccc(-c2nnc3n2C[C@@H](C)S3)c1 105189 YVYDUGDAGWPUGC-MRVPVSSYSA-N 247.323 2.448 0 40 BEAB C[C@H](Cc1ccccc1)NC(=O)c1ccncc1 329717 NABUKNINVWXMID-GFCCVEGCSA-N 240.306 2.443 0 40 BEAB CC(=O)Oc1cc(-c2ccccc2)nn1C 1394996 UENOERSKQFFKNB-UHFFFAOYSA-N 216.240 2.012 0 40 BEAB c1cc2c(cc1NC1=NCCO1)CCCC2 1639136 OTBQDOKDJFEZPM-UHFFFAOYSA-N 216.284 2.364 0 40 BEAB CC(=O)Oc1cccc([C@@H]2OC[C@@H](C)O2)c1 1679882 IPAVCRWWKPLHPU-PRHODGIISA-N 222.240 2.046 0 40 BEAB COc1ccc(C(=O)c2ccccn2)cc1OC 6018574 CUTYZBYXXYWWHB-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB C/C(=C\C(=O)O)C(=O)Nc1ccc(C)c(C)c1 6846188 FFPJSPSNMLPERS-JXMROGBWSA-N 233.267 2.273 0 40 BEAB COCCCNCc1ccc(Cl)cc1 8728605 JFNXBZGBAQLJFD-UHFFFAOYSA-N 213.708 2.466 0 40 BEAB N[C@H](Cn1cccn1)c1ccc(Cl)cc1 11849851 DKQJQOWGMPWYNW-LLVKDONJSA-N 221.691 2.237 0 40 BEAB CC(C)c1cc(CSCC(=O)O)no1 12398775 RNAIGNCRXISWTD-UHFFFAOYSA-N 215.274 2.116 0 40 BEAB Cc1oc(C)c(C(=O)NC[C@@H]2CCCO2)c1C 13020655 YDCQTIOVJKUKHE-NSHDSACASA-N 237.299 2.114 0 40 BEAB Nc1cc(N)nc(Nc2ccc(Cl)cc2)n1 20153939 MRGKJOJQLDRXJQ-UHFFFAOYSA-N 235.678 2.038 0 40 BEAB CN(C)CCNCc1cccc2ccccc12 22042373 RWJJKNPSJCNSQR-UHFFFAOYSA-N 228.339 2.491 0 40 BEAB O=Cc1oc2ccccc2c1SCC(=O)O 32918555 JELFCJVKECHRLW-UHFFFAOYSA-N 236.248 2.422 0 40 BEAB CC(C)(C)Nc1ccc(C(=O)O)cc1N 35784685 UMEQXYIJOLZGMB-UHFFFAOYSA-N 208.261 2.177 0 40 BEAB CC[C@H](C)NC(=O)c1cc(Cl)ccn1 36804040 YPOCXYXNRVHYJZ-ZETCQYMHSA-N 212.680 2.263 0 40 BEAB COCCCNCc1c[nH]nc1-c1ccc(C)o1 37232460 PREHNYCVICNJQN-UHFFFAOYSA-N 249.314 2.104 0 40 BEAB CC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362442 SWBRGYCXRGORSY-VXGBXAGGSA-N 202.253 2.314 0 40 BEAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCN 37802977 MJRCLKQIVYDQFU-JTQLQIEISA-N 238.306 2.084 0 40 BEAB CCOCCCn1c(C=O)nc2ccccc21 40163899 VTIAHAVIRJNHIF-UHFFFAOYSA-N 232.283 2.275 0 40 BEAB CCc1cccc(OC[C@@H]2CCNC2)c1 42772885 QAKPUEMOQFUCPZ-GFCCVEGCSA-N 205.301 2.237 0 40 BEAB FC(F)(F)c1ccc(OC2CCNCC2)nc1 42783023 KUDNJELAUXSOIL-UHFFFAOYSA-N 246.232 2.231 0 40 BEAB in-vitro C[C@H]1C[C@H](C)CN(Cc2nc(C3CC3)no2)C1 43999581 JCOZVKDSLFHXNN-UWVGGRQHSA-N 235.331 2.425 0 40 BEAB CCOC(=O)c1cn[nH]c1-c1cccs1 44200481 QBCRXGHRXHVKQS-UHFFFAOYSA-N 222.269 2.315 0 40 BEAB c1ccn2cc(CSc3nncs3)nc2c1 47822864 HPETYMJEZPWPFD-UHFFFAOYSA-N 248.336 2.478 0 40 BEAB Cc1nc(-c2nn3c(C4CC4)nnc3s2)co1 49547610 ZGNNGFMEOIWZED-UHFFFAOYSA-N 247.283 2.027 0 40 BEAB Cc1ccc(-c2cnn(CCCN)c2)cc1 49815878 UULBTBIRYGZKSA-UHFFFAOYSA-N 215.300 2.207 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1CCCO 52758947 JZSNIRHFBXQBTF-JTQLQIEISA-N 229.320 2.158 0 40 BEAB in-vitro CC(C)N1CCCN(C(=O)c2ccccc2)CC1 65541016 MVBKMDKUXHQKCV-UHFFFAOYSA-N 246.354 2.243 0 40 BEAB CSc1nc(C)c2c(c1C(N)=O)CCCC2 67257827 UDDFESIPJFWVFH-UHFFFAOYSA-N 236.340 2.090 0 40 BEAB O[C@H]1CN[C@@H](c2ccccc2C(F)(F)F)C1 69970987 MHSWZBHVZZQQLL-GMSGAONNSA-N 231.217 2.101 0 40 BEAB Fc1cnc2nc(-c3ccccn3)[nH]c2c1 71257669 NTYMLIVNXAQSOF-UHFFFAOYSA-N 214.203 2.159 0 40 BEAB O=C(O)c1c[nH]cc1-c1cccc(O)c1 72207380 IMIHLHYCGYRQDN-UHFFFAOYSA-N 203.197 2.086 0 40 BEAB CCCNc1ncccc1[C@@H]1CCCN1C=O 72213121 IANANTPORNXCDB-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CC(C)Nc1cnc(C[C@@H]2CCCNCC2)cn1 72386693 GATGUSNOILDXBZ-GFCCVEGCSA-N 248.374 2.229 0 40 BEAB CCNC(=O)N1C[C@H](C)Cc2ccccc21 75128073 BTMVOWVZBFEJEL-SNVBAGLBSA-N 218.300 2.415 0 40 BEAB CC(C)(C)C(=O)c1nc(C(=O)O)cs1 75854898 KVFAXYYUEVCHFA-UHFFFAOYSA-N 213.258 2.070 0 40 BEAB CCN[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79437050 CUGSDCDTNAJKSD-WDEREUQCSA-N 242.363 2.432 0 40 BEAB C[C@@H]1CN(CCC(=O)O)c2ccccc21 84771504 OVEZBLUOUQSWTI-SECBINFHSA-N 205.257 2.085 0 40 BEAB CC(=O)Oc1ccc(C(C)(C)CC(=O)O)cc1 85398497 MVYXKCJUHOAGLE-UHFFFAOYSA-N 236.267 2.364 0 40 BEAB CC(=O)n1ncc2cccc(Br)c21 89157383 OERWCDJFJQROCH-UHFFFAOYSA-N 239.072 2.459 0 40 BEAB in-vitro CNc1cc(-c2cccc(F)n2)ccn1 91368513 LGDFLLCASRIRSI-UHFFFAOYSA-N 203.220 2.324 0 40 BEAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](C)O[C@@H]3C2)c(C)o1 96045732 WIGCVZNGVUWCPI-YDEJPDAXSA-N 249.310 2.146 0 40 BEAB C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)C2CC2)C1 97138457 LJHHOJBZZCGGLP-IINYFYTJSA-N 239.359 2.090 0 40 BEAB O[C@@H](Cn1cc(Cl)cn1)C1CCCCC1 191359333 DASXBEMUHZZXOL-NSHDSACASA-N 228.723 2.478 0 40 BEAB CCCC1(CCC)NC(=S)N(C(C)C)N1 225350542 YJTRUNPXMHXZMG-UHFFFAOYSA-N 229.393 2.386 0 40 BEAB CC(C)n1cnc2cc(C(N)=O)c(Cl)cc21 225727777 NZIYMPRQILVFNH-UHFFFAOYSA-N 237.690 2.370 0 40 BEAB Nc1c(Br)cncc1NC1CC1 225742576 MPHWDZGBPBGECZ-UHFFFAOYSA-N 228.093 2.001 0 40 BEAB Cc1cn(CCF)nc1NCc1cccc(O)c1 256050384 DVBSBKMFIZPXAH-UHFFFAOYSA-N 249.289 2.479 0 40 BEAB FC(F)(F)c1cccnc1O[C@@H]1CCOC1 585654971 OYYVPDOOTFLQOG-SSDOTTSWSA-N 233.189 2.268 0 40 BEAB COC(=O)c1cncnc1Sc1ccccc1 343699 YKPAIQSBFDARHK-UHFFFAOYSA-N 246.291 2.414 0 40 BEAB CC(C)C(=O)NC(=S)Nc1ccccc1 410103 BIABNJNWZZWNKS-UHFFFAOYSA-N 222.313 2.156 0 40 BEAB CNC(=S)N1CCc2[nH]c3ccccc3c2C1 487912 HLUOODWZTOLBNI-UHFFFAOYSA-N 245.351 2.030 0 40 BEAB biogenic CCCCOC(=O)COc1ccc(OC)cc1 1677846 SGXJPKJXXAPQCJ-UHFFFAOYSA-N 238.283 2.417 0 40 BEAB OCC[C@H](c1ccccc1)[C@@H]1CCCCN1 1720361 ORLHWXNQUUVXDC-KGLIPLIRSA-N 219.328 2.295 0 40 BEAB CCOc1ccc(C(=O)CCC(=O)O)c(C)c1 1871082 HEDCPKDACMKWGD-UHFFFAOYSA-N 236.267 2.441 0 40 BEAB N[C@@H](C(=O)O)c1c(Cl)cccc1Cl 3676998 CEAIBRZKLBUDQF-SSDOTTSWSA-N 220.055 2.078 0 40 BEAB biogenic,in-vitro CC1=NN(c2cc(C)ccc2C)C(=O)C1 3887163 HYJKWZAGPAFYIP-UHFFFAOYSA-N 202.257 2.416 0 40 BEAB in-vitro CCCOc1cc2c(cc1C=O)OCO2 4986052 CCOPRBGCENZIDF-UHFFFAOYSA-N 208.213 2.017 0 40 BEAB CCCN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 8316084 FRWXWUYPHVCLLQ-AWEZNQCLSA-N 246.310 2.172 0 40 BEAB CC[C@H](C)Sc1ncnc2nc[nH]c12 8581277 YLMWMBWJGSIKKF-LURJTMIESA-N 208.290 2.244 0 40 BEAB Cc1cccnc1Cn1cccc1C=O 8702361 MCJIXQNXYITSLV-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB COc1ccccc1NC(=O)c1ccccn1 9051355 VLNYBKJCFJQTLW-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB in-vitro Cc1ccc(C)c(OC2CCNCC2)c1 14631903 JKUFYLWACBCYJI-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB in-vitro O=C(O)c1ccc(OC[C@@H]2CCCCO2)cc1 20080546 MGARNVXPLJRSIZ-LBPRGKRZSA-N 236.267 2.333 0 40 BEAB CCn1cc(CNCCOC)c2ccccc21 20935195 NMPPWJOYMTVETE-UHFFFAOYSA-N 232.327 2.397 0 40 BEAB O=C(NCCc1ccccn1)c1cccs1 22507745 QYISPNMWBZWYQJ-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 30835650 ILFOVOGNBJSZLG-CYBMUJFWSA-N 235.283 2.203 0 40 BEAB O=C(NCC1CCC1)c1ccc2c(c1)CCO2 31438232 MZLYFWRTSVDUQC-UHFFFAOYSA-N 231.295 2.151 0 40 BEAB CC(=O)Nc1cccc(-c2ccnc(CO)c2)c1 32534831 IZIROZANYSGSBB-UHFFFAOYSA-N 242.278 2.199 0 40 BEAB CCOC(=O)c1c(C)nc2cccc(Cl)n12 33364661 YKGWSAREZDAIBT-UHFFFAOYSA-N 238.674 2.473 0 40 BEAB in-vitro Cc1nn(Cc2ccc(C(=O)O)o2)c(C)c1C 34925030 RFVDUUFUZZHIBX-UHFFFAOYSA-N 234.255 2.148 0 40 BEAB COC(=O)c1snc(-c2ccccc2)c1N 34925645 BCLABDHRUQOVHX-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB O=C(Nc1nncs1)c1cc2ccccc2[nH]1 35206762 GVCNLJKTWZCQHQ-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB CCNCc1ccccc1OCC(F)F 37755465 QVSMUJQHUPIJEB-UHFFFAOYSA-N 215.243 2.440 0 40 BEAB CCCN(CC(=O)O)C(=O)c1cc(C)cc(C)c1 38019465 UEGFCCHNQWMKFF-UHFFFAOYSA-N 249.310 2.240 0 40 BEAB Cc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1 38478095 AMPSYNCRWPTYQJ-UHFFFAOYSA-N 229.235 2.049 0 40 BEAB Brc1cn2cncc2s1 38916937 QJJWFMQXQGXGOP-UHFFFAOYSA-N 203.064 2.158 0 40 BEAB CCOC(=O)c1nc(-c2cccnc2)cs1 42407103 GJWZAEGHPYVLGW-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB in-vitro Clc1ccc(NCC2CCNCC2)nc1 44509171 QAFQQVWMSAMLSU-UHFFFAOYSA-N 225.723 2.147 0 40 BEAB CCOC(=O)CCNc1nc2ccccc2o1 44572553 SCKFBEAFPPPMRM-UHFFFAOYSA-N 234.255 2.193 0 40 BEAB COCCSCC(=O)N(C)C1CCCCC1 45024503 TWDKRJWWABNNSR-UHFFFAOYSA-N 245.388 2.157 0 40 BEAB Clc1cccnc1OCC1CCNCC1 51869708 YILJYQHKGROTSW-UHFFFAOYSA-N 226.707 2.113 0 40 BEAB C[C@H](N)c1nc(-c2ccc(Cl)cc2)n[nH]1 61843938 QJUGQNHMXAWIFM-LURJTMIESA-N 222.679 2.145 0 40 BEAB CC(=O)NCC(C)(C)c1cccc(C)c1 62929439 BQRSQXMDCZFUQK-UHFFFAOYSA-N 205.301 2.409 0 40 BEAB CCCCNC(=O)[C@]1(C)CC1(Cl)Cl 68322725 FPAYFUMUGXCBRD-QMMMGPOBSA-N 224.131 2.487 0 40 BEAB C[C@H]1C[C@@H](N(C)CC2CCCCC2)C(=O)O1 69416471 FMQHDMFGLUNFGX-CMPLNLGQSA-N 225.332 2.203 0 40 BEAB CCOc1ccc(C2=NO[C@@](C)(C(=O)O)C2)cc1 71980984 ATIMLYYECHUHQI-CYBMUJFWSA-N 249.266 2.053 0 40 BEAB CCN1CCC[C@H]1c1ccc(NC)nc1 72212468 SPGOTUDTFXBETB-NSHDSACASA-N 205.305 2.280 0 40 BEAB O=CN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213811 ZUGBSDUQVKWXNU-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB Cc1cc([C@@H](C)N)cnc1N1CCCC1 72222440 DHQMVGZNGUWMIG-SNVBAGLBSA-N 205.305 2.010 0 40 BEAB c1cc([C@@H]2CCCN(CCOCC3CC3)C2)[nH]n1 72296397 UBJLJJGQFDENBT-CYBMUJFWSA-N 249.358 2.016 0 40 BEAB COCCCCCn1ncc2ccccc2c1=O 72302009 IUWPNKZZLIGRJQ-UHFFFAOYSA-N 246.310 2.213 0 40 BEAB C[C@](O)(c1ccc(N)cc1)C(F)(F)F 75846232 HNEGBJXPLNCNQL-QMMMGPOBSA-N 205.179 2.039 0 40 BEAB O=C(C[C@@H]1COCCC1=O)c1ccc(F)cc1 85347618 OSKHHMBQTBLEBY-SNVBAGLBSA-N 236.242 2.004 0 40 BEAB Cc1nc(CNc2cccc(F)c2C)no1 86212706 OHBXJMBSMYKUFX-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB C/C=C/CC1=C(C)CC(=O)[C@H]1C(=O)OC 87492939 APVWSKRSXLWLOP-ZWNMCFTASA-N 208.257 2.031 0 40 BEAB COc1cc(F)cc(NC(=O)N2CCCC2)c1 89423833 LCNZTVMEBOEPCI-UHFFFAOYSA-N 238.262 2.462 0 40 BEAB CCOC(=O)c1c[nH]cc1-c1cccnc1 95093457 VZXREBRDYJTSIN-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB O=C(NC[C@@H]1CO1)c1cc(Cl)ccc1Cl 95096910 YYGIUDSTQSCMPQ-SSDOTTSWSA-N 246.093 2.122 0 40 BEAB CC(C)n1c(=O)c(Cl)nc2ncccc21 95097722 GBNBQDCYNSRTIZ-UHFFFAOYSA-N 223.663 2.026 0 40 BEAB NCC12CCC(CC1)CN2Cc1ccccc1 95618994 BAGSTEWFKZNUCD-UHFFFAOYSA-N 230.355 2.390 0 40 BEAB COc1cccc2c1c(Br)nn2C 95930324 PYOZKKANOVSUPS-UHFFFAOYSA-N 241.088 2.344 0 40 BEAB NC(=O)N1CCC2(C=Cc3ccccc32)CC1 96161173 SDHAGNDNKWJWLS-UHFFFAOYSA-N 228.295 2.126 0 40 BEAB C[C@H]1CN(Cc2ccn(C)c2)C(C)(C)CO1 97139440 HJDLHGHHYOAFAH-NSHDSACASA-N 222.332 2.024 0 40 BEAB Cc1cc(C)nc(NC(=O)N2CCCC2)c1 97142868 BNZBJQGKCFADRH-UHFFFAOYSA-N 219.288 2.326 0 40 BEAB CCC(=O)Nc1ccc(N(CC)CC)c(N)c1 226262645 BYBVLVMKXHVZMI-UHFFFAOYSA-N 235.331 2.464 0 40 BEAB O=Cc1ccc(C(F)(F)F)c2[nH]ncc12 261507071 DYSNXAIPWROQPX-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB OC[C@]1(F)CCCN(Cc2cccs2)C1 287029078 SFTHLLXMWAKYNH-NSHDSACASA-N 229.320 2.045 0 40 BEAB CC(=O)N(C)CC12CC(C(F)(F)F)(C1)C2 953025716 ZBVPFCYUWDYTFR-UHFFFAOYSA-N 221.222 2.197 0 40 BEAB COC(=O)c1ccc(N2CCCC2)cc1F 1857793505 BTKVZBJZJYUCRF-UHFFFAOYSA-N 223.247 2.213 0 40 BEAB CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1 105329 UPZBXVBPICTBDP-GRYCIOLGSA-N 238.375 2.069 0 40 BEAB Cc1n[nH]c(=S)n1-c1ccc2c(c1)OCCO2 128028 JVRQEBIQFZUKNB-UHFFFAOYSA-N 249.295 2.010 0 40 BEAB Cn1c(S)nnc1CSc1cccs1 126603 ZSELYSPKDJZLFK-UHFFFAOYSA-N 243.382 2.458 0 40 BEAB CCc1cc(=O)[nH]c(-c2ccc(C)cc2)n1 36755179 UJVYVDKNXJYARD-UHFFFAOYSA-N 214.268 2.308 0 40 BEAB in-vitro Cc1ccc(CN(C)C(=O)c2cnsn2)cc1 40555106 BNOJEKHCFBBEOC-UHFFFAOYSA-N 247.323 2.119 0 40 BEAB COc1ccc(C2=NC(=O)OC2(C)C)cc1 1589458 MEBZYTYLDYYOMA-UHFFFAOYSA-N 219.240 2.413 0 40 BEAB COc1ccc([C@H]2N[C@@H]2c2ccccn2)cc1 1611069 VATZVHGGTGXNAX-ZIAGYGMSSA-N 226.279 2.476 0 40 BEAB CCCNc1nc(Cl)nc(Cl)n1 2013550 JXMNIFBDZUCJHU-UHFFFAOYSA-N 207.064 2.000 0 40 BEAB CCOc1ccc(Cc2nnc(S)o2)cc1 2480470 MNXPQAUIAUCMLZ-UHFFFAOYSA-N 236.296 2.348 0 40 BEAB CCOc1cccc(-c2cc(N)on2)c1 3715889 GFGXRYATVNGBJN-UHFFFAOYSA-N 204.229 2.323 0 40 BEAB COc1cccc(-c2csc(NN)n2)c1 4294006 KEMAPVLUNVSNJW-UHFFFAOYSA-N 221.285 2.104 0 40 BEAB CC(C)n1ncc(C(=O)O)c1C(F)(F)F 40926108 CIPPUTFULIROLY-UHFFFAOYSA-N 222.166 2.181 0 40 BEAB in-vitro CC1(C)[C@H]2CC[C@]1(C)[C@H]1SC(=N)NN=C21 6755040 QKTKJUURJFAZSY-GEOGLEFRSA-N 223.345 2.438 0 40 BEAB Cc1ccc(C(=O)Nc2nnc(C)s2)o1 369284 WJWKILYODWMPPG-UHFFFAOYSA-N 223.257 2.000 0 40 BEAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CC1 55693663 ZXDFJBCCQNLEGD-LLVKDONJSA-N 233.311 2.289 0 40 BEAB CCOC(=O)c1cc(C)c2nc(N)sc2c1 20154860 FQNDTTVWCBKYSX-UHFFFAOYSA-N 236.296 2.364 0 40 BEAB CC(C)Oc1ccc(CNCCC(=O)O)cc1 37252348 ALEZYCVJLDXFCK-UHFFFAOYSA-N 237.299 2.038 0 40 BEAB COCC(=O)N[C@H](c1ccccc1)C(C)C 42688794 OERCAHLTVMGVMC-ZDUSSCGKSA-N 221.300 2.146 0 40 BEAB Fc1cccc(COC[C@@H]2CCCN2)c1 28521839 KOZVQIGMQPYXST-LBPRGKRZSA-N 209.264 2.094 0 40 BEAB Cc1cc(Br)c2c(c1)NC(=O)CO2 57340651 FMOZIFYYHSGUMU-UHFFFAOYSA-N 242.072 2.088 0 40 BEAB CCOC(=O)/C=C(\C)Nc1ccc2cn[nH]c2c1 1395193 ZVMWVOLTSHQXNK-RMKNXTFCSA-N 245.282 2.442 0 40 BEAB COc1ccc(-c2nc3ncccc3n2O)cc1 1400186 NBUJWRNZNAECII-UHFFFAOYSA-N 241.250 2.344 0 40 BEAB O=C(O)c1ncc(Cl)cc1C(F)(F)F 43828124 WQHJECWXEBZOLJ-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB in-vitro COc1ccc(C(=O)[C@@H]2CCCNC2)cc1F 35424067 MKZQLWACCSHDKQ-SNVBAGLBSA-N 237.274 2.017 0 40 BEAB CC(C)(N)COc1ccc(C(F)(F)F)cn1 70838677 CVBRJRMBDGNXJX-UHFFFAOYSA-N 234.221 2.217 0 40 BEAB Cn1cnnc1SCc1nc2ccccc2o1 8315759 QYGHBADMZVFRJA-UHFFFAOYSA-N 246.295 2.249 0 40 BEAB COCCN1CCC[C@H]1c1ccc2c(c1)OCO2 69484204 BPUFVZICOZFJRG-LBPRGKRZSA-N 249.310 2.199 0 40 BEAB CC(C)Cc1nc(C(=O)NC2CC2)cs1 49519057 PWUSZUMGGXLSJQ-UHFFFAOYSA-N 224.329 2.234 0 40 BEAB Cc1ccsc1C(=O)N[C@H](C)CCC(=O)O 69837758 BXPRZDGAKQDKDN-MRVPVSSYSA-N 241.312 2.040 0 40 BEAB COc1ccc(C2CCNCC2)cc1C 14629057 LFSVHCZJBFRGKH-UHFFFAOYSA-N 205.301 2.471 0 40 BEAB in-vitro c1ccc(CN2CCC[C@H]2[C@@H]2CCCN2)cc1 90225601 XSMYNCCUVCACAS-GJZGRUSLSA-N 230.355 2.403 0 40 BEAB in-vitro O=C(NCCc1ccccc1F)c1ccccn1 7544985 IURMVODIEDFXJE-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 19674826 HXWFGPOOKYZXBX-SECBINFHSA-N 220.099 2.376 0 40 BEAB in-vitro C[C@H](O)[C@H]1CCCN(Cc2ccsc2)C1 97162223 JDUAPMVTYRTUMM-JQWIXIFHSA-N 225.357 2.341 0 40 BEAB CC(C)n1ccc(Cc2nc(C3CC3)no2)n1 95404051 QEYDINAFFZLLSO-UHFFFAOYSA-N 232.287 2.315 0 40 BEAB O=C1COc2ccccc2CN1C1CCCC1 65184331 UTEPHVFSBREODZ-UHFFFAOYSA-N 231.295 2.350 0 40 BEAB O=C(CNC1CC1)Nc1cc(Cl)ccc1F 37386640 QTAWARWOCTZINS-UHFFFAOYSA-N 242.681 2.170 0 40 BEAB Cc1c(Cl)cccc1N1CC[C@H](N)C1 33427019 AXZGZJZEGHACPZ-VIFPVBQESA-N 210.708 2.186 0 40 BEAB Oc1n[nH]c2ccc(C(F)(F)F)cc12 75883934 WJVHANQKFKSECV-UHFFFAOYSA-N 202.135 2.287 0 40 BEAB Cc1cc(F)ccc1N[C@H]1CCC[C@H]1N 218882019 HLUPJSZLMCWPKH-PWSUYJOCSA-N 208.280 2.426 0 40 BEAB CN(C)C(=O)[C@@H]1SCCc2ccccc21 79452017 QOSCZQIPHVIQHI-LLVKDONJSA-N 221.325 2.105 0 40 BEAB O[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 72206532 ATCSYVJYDYWRKP-CYBMUJFWSA-N 232.258 2.381 0 40 BEAB COC(=O)CCCC(=O)c1cccc(OC)c1 49828012 UYWBKZIWLKUSLB-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB Clc1ncnc(N2CCc3ccccc32)n1 49474251 KZMAYMTYTGAKSI-UHFFFAOYSA-N 232.674 2.219 0 40 BEAB COC(=O)c1cc2ncn(C)c2cc1Cl 225727254 YVPOKLXHZFFEDK-UHFFFAOYSA-N 224.647 2.013 0 40 BEAB Cc1ccoc1C(=O)N1CCOc2ncccc21 89701950 ARRVHCKJJXVLGY-UHFFFAOYSA-N 244.250 2.022 0 40 BEAB CC[C@H](C)n1c(C=O)ccc1CCOC 226030404 ABZFRTDCGYZPJD-JTQLQIEISA-N 209.289 2.461 0 40 BEAB CCc1ccc(OC2(C(=O)O)CC2)cc1 85392744 FCTWCCVCDJTIDC-UHFFFAOYSA-N 206.241 2.245 0 40 BEAB CCn1c(CN)ccc1Cc1ccco1 226021472 STQJKBBDOBNLPW-UHFFFAOYSA-N 204.273 2.151 0 40 BEAB CC(C)CC(=O)NC[C@@H](O)c1ccccc1F 96445840 QWKZYQVMIVFMRD-GFCCVEGCSA-N 239.290 2.021 0 40 BEAB CN1[C@H]2CC[C@@H]1c1cc(C=O)sc1C2 96510411 OMTQBRDPPGWNJD-OIBJUYFYSA-N 207.298 2.252 0 40 BEAB Cc1cnc([C@H](C)Nc2ccnc(N(C)C)n2)o1 235555926 RUYABTSKKWNTCM-VIFPVBQESA-N 247.302 2.012 0 40 BEAB COC(=O)c1cc(Cl)cc(O)c1C 147079588 UOJFKAWELKDSGE-UHFFFAOYSA-N 200.621 2.141 0 40 BEAB O=C(O)Cc1nc(Cl)nc2ccc(F)cc12 258177715 GXKHWPXOZUBWMG-UHFFFAOYSA-N 240.621 2.049 0 40 BEAB Fc1ccc2c(c1Br)OCO2 215651223 OHUWAUIJHDBDIT-UHFFFAOYSA-N 219.009 2.317 0 40 BEAB NCC1(c2ccccc2Cl)CCOCC1 44269633 LSNGXCZGRKUJGB-UHFFFAOYSA-N 225.719 2.347 0 40 BEAB in-vitro Oc1n[nH]c2c1C[C@H](c1ccccc1)CC2 68575899 YICCKRIEQALKQJ-SNVBAGLBSA-N 214.268 2.388 0 40 BEAB in-vitro Cc1[nH]nc(O)c1Cc1cccc(F)c1 950757426 BPYPTLPQNDMFIU-UHFFFAOYSA-N 206.220 2.154 0 40 BEAB COc1ccc2[nH]c3c(c2c1)CCC(=O)C3 95635251 JSMBDAPUKORDJR-UHFFFAOYSA-N 215.252 2.234 0 40 BEAB in-vitro CC[C@H](COC)NCCc1csc(C)n1 95419972 QBCBYLCWMWRIKO-SNVBAGLBSA-N 228.361 2.009 0 40 BEAB CC(C)CC(=O)N(CC(=O)O)Cc1ccccc1 95969942 BWJQITGWHRFKEK-UHFFFAOYSA-N 249.310 2.146 0 40 BEAB CC[C@H](COC)Nc1ccc([S@@](C)=O)cc1 97101628 CVHCIELERLTZPJ-HWPZZCPQSA-N 241.356 2.261 0 40 BEAB CC[C@H](C)C[C@@H](CC)N[C@H]1CCN(C)C1 238857308 YTZGWYJAGBGQIG-XQQFMLRXSA-N 212.381 2.495 0 40 BEAB CC(C)CC(=O)Nc1ccc(CC(=O)O)cc1 11638537 BEEYIHLDBCWACR-UHFFFAOYSA-N 235.283 2.298 0 40 BEAB CCCCCC[C@H](C)OCCOCCO 16637877 NBXQQGNTYSWRHL-LBPRGKRZSA-N 218.337 2.371 0 40 BEAB O=C(c1c(F)cccc1Cl)N1CCC1 78578517 QPUHBYFINYQGFY-UHFFFAOYSA-N 213.639 2.325 0 40 BEAB CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1)C2 238878 OEEGGTCSQOZQJO-PBWFPOADSA-N 217.312 2.131 0 40 BEAB COCC(=O)N(C)[C@@H]1CCCc2ccccc21 40490108 JRMJYROEBJLIBU-CYBMUJFWSA-N 233.311 2.169 0 40 BEAB CN1CCN(c2nc3ccccc3s2)CC1 22035 DZERTEQKWVKWJP-UHFFFAOYSA-N 233.340 2.048 0 40 BEAB Cc1ccccc1NC(=O)[C@@H]1CCCC1=O 1674681 NPMMKLZIUDIISA-SNVBAGLBSA-N 217.268 2.303 0 40 BEAB O[C@@H](c1ccc2cccnc2c1)[C@@H]1CCCCN1 1729519 MNCWVFJXBARQLI-ZFWWWQNUSA-N 242.322 2.410 0 40 BEAB CCCCCCOC(=O)O[C@H](C)C(=O)OC 2041780 UATKRHGOBTZXKC-SECBINFHSA-N 232.276 2.281 0 40 BEAB CCC(=O)OC1=NN(c2ccccc2)CC1 2734288 YQVYIODZWUTHBD-UHFFFAOYSA-N 218.256 2.163 0 40 BEAB CC1=N/C(=C\c2ccccc2F)C(=O)O1 4645113 JIDVSXGXSILSBZ-POHAHGRESA-N 205.188 2.142 0 40 BEAB CC(C)N(CCC(=O)O)C(=O)OC(C)(C)C 5066699 KKIAMBQPKZBCIZ-UHFFFAOYSA-N 231.292 2.107 0 40 BEAB in-vitro O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC1 5439741 DUYGHCDQGWNTOE-UHFFFAOYSA-N 244.294 2.162 0 40 BEAB CC(C)NC(=O)CSCc1ccccc1 6306665 ZFHPUIMXHSHHLV-UHFFFAOYSA-N 223.341 2.444 0 40 BEAB O=C(O)c1cccnc1SC[C@@H]1CCCO1 6321411 KRQSOKPUQSDAEO-QMMMGPOBSA-N 239.296 2.051 0 40 BEAB CC(C)CCC(=O)Nc1ccc(C(N)=O)cc1 7770293 UCTMPVLVJKMOJO-UHFFFAOYSA-N 234.299 2.160 0 40 BEAB Nc1nnc(-c2ccc(F)c(F)c2)s1 8726703 HNPMXVJEOKPEIH-UHFFFAOYSA-N 213.212 2.066 0 40 BEAB C[C@@H](CN)Oc1ccc(Br)cc1 11946296 ZGLQWIALATZXIJ-ZETCQYMHSA-N 230.105 2.175 0 40 BEAB in-vitro O=C(c1ccccc1)N1CCCC[C@H]1CCO 16476648 UVJGCTBDCLWLQR-ZDUSSCGKSA-N 233.311 2.064 0 40 BEAB C[C@@H](c1nnc(S)n1-c1ccccc1)N(C)C 19229946 OJONJYAZSYAMQP-VIFPVBQESA-N 248.355 2.179 0 40 BEAB NC(=O)c1ccc(CNCc2ccccc2)cc1 20038393 IOEOXVJIOTVWBV-UHFFFAOYSA-N 240.306 2.075 0 40 BEAB COc1ccc([C@H](C)CC(=O)O)c(OC)c1 20259973 MSGSKCGRIYQKNH-MRVPVSSYSA-N 224.256 2.282 0 40 BEAB CCCC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 21793271 BDGXHJLEGDJQRE-JTQLQIEISA-N 246.310 2.408 0 40 BEAB Cc1cccc(-n2c(C)ccc2C=O)n1 22122302 FGBZKRBCTDDETI-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@@H]1C 25762012 XUUOEWPYCMSNCP-WCQYABFASA-N 247.338 2.318 0 40 BEAB c1cncc(-c2nnc3sc(C4CC4)nn23)c1 32072896 TVBXNRRCHRXDPE-UHFFFAOYSA-N 243.295 2.125 0 40 BEAB COC(=O)c1cc(Br)oc1C 34579084 HQEFZABRNVWGBR-UHFFFAOYSA-N 219.034 2.137 0 40 BEAB in-vitro COc1ccc([C@H]2C[C@H]2[C@H](C)N)cc1OC 36056706 HYRHCZXUDHOWNL-INTQDDNPSA-N 221.300 2.155 0 40 BEAB CC(C)[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)O 39121916 IJBQVGBVDHATME-PELKAZGASA-N 243.303 2.010 0 40 BEAB CCOC(OCC)c1cccc(C(=O)O)c1 43502591 ZKCUDPKGBZSIAJ-UHFFFAOYSA-N 224.256 2.456 0 40 BEAB CC(C)(C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 52998095 LDYUAGMAPUPROD-GFCCVEGCSA-N 246.310 2.419 0 40 BEAB O=C1NCCNc2c1cnc1ccc(Cl)cc21 53994738 VVHUCKAKFSSESV-UHFFFAOYSA-N 247.685 2.044 0 40 BEAB CCc1nnc(CN2CCCC[C@@H]2C)o1 54115089 WEQKNQGCYRLQKR-VIFPVBQESA-N 209.293 2.006 0 40 BEAB COc1ccc(OC)c([C@H](O)c2ccccn2)c1 55234573 OXOHDWSQPZCSKV-AWEZNQCLSA-N 245.278 2.181 0 40 BEAB CCNC(=O)c1cnn(-c2ccccc2Cl)c1 58354702 GZABKSCIQKUQDU-UHFFFAOYSA-N 249.701 2.275 0 40 BEAB Cc1noc(C)c1CNCc1c(C)noc1C 58420315 CHTYPYLZPDVSFZ-UHFFFAOYSA-N 235.287 2.186 0 40 BEAB in-vitro CCOC(=O)[C@@H](C)NC(=O)C[C@H](C)CC(C)C 67910637 VRFPFDNXSDOUIR-GHMZBOCLSA-N 243.347 2.127 0 40 BEAB Cc1cccc(C(=O)N2C[C@H](CN)CC[C@H]2C)c1 70180526 XCTOGZFARJHFEZ-OLZOCXBDSA-N 246.354 2.194 0 40 BEAB Nc1nc2ccccc2c(Br)c1N 71256339 HPFABBABQIQGBN-UHFFFAOYSA-N 238.088 2.162 0 40 BEAB CCN[C@H](C)C(=O)c1c[nH]c2ccccc12 71519722 GVDDWHYNHVWVNT-SECBINFHSA-N 216.284 2.349 0 40 BEAB Clc1ccc(CN[C@H]2CCNC2)c(Cl)c1 72203696 ZLNSBBRQALYJSN-JTQLQIEISA-N 245.153 2.445 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C)C 72212691 JEVROWSWKKOMCI-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB C[C@H](N)c1ccc(N2CCCCC2)nc1 72225453 AYBWPAXQOALFDK-JTQLQIEISA-N 205.305 2.092 0 40 BEAB OCCc1ccc(N2CCc3ccccc32)nc1 72225820 OYZVAXAQZCNUSR-UHFFFAOYSA-N 240.306 2.311 0 40 BEAB O=C(NC[C@H]1CCC[C@H]1O)Nc1cccs1 72304778 UWPICSKCXNDEAQ-RKDXNWHRSA-N 240.328 2.031 0 40 BEAB Nc1cccc2oc(C(F)(F)F)nc12 74413131 FXORYKCMDPURQG-UHFFFAOYSA-N 202.135 2.429 0 40 BEAB in-vitro CC(C)(C)CNC(=O)COc1ccccc1 82284324 CYVCZPWHTGOYQX-UHFFFAOYSA-N 221.300 2.228 0 40 BEAB COc1cnc2ccccc2c1C(=O)NC1CC1 82299234 IFLONIGLACWDKK-UHFFFAOYSA-N 242.278 2.136 0 40 BEAB C[C@H](N)c1ccc(Br)c(O)c1 83593102 QGPZGYDKUXDREC-YFKPBYRVSA-N 216.078 2.174 0 40 BEAB Cc1cc(CNC(=O)C2CC2)sc1C 83633954 ASUBZCJCXJONEZ-UHFFFAOYSA-N 209.314 2.391 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1O 95348155 FXVLUNMZSAJYNE-NXEZZACHSA-N 229.320 2.205 0 40 BEAB OCc1coc(-c2ccccc2Cl)n1 95748782 MUXAUQKRVNVHAS-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB CC(C)n1cc(N)c(NCc2ccco2)n1 95836719 ZVWGOTHJHIGVSN-UHFFFAOYSA-N 220.276 2.251 0 40 BEAB Cc1cccc2c1COC21CCNCC1 96029478 IKCQABWGXCNNCI-UHFFFAOYSA-N 203.285 2.104 0 40 BEAB CO[C@@H](CNC(=O)C1CC1)c1ccc(C)s1 96104633 VATXPNOKIIDBGD-JTQLQIEISA-N 239.340 2.270 0 40 BEAB Cc1cc(-c2nc([C@H]3CCOC3)no2)c(C)n1C 96150419 WPYRDNFOBRJPPW-JTQLQIEISA-N 247.298 2.196 0 40 BEAB C[C@H]1CCCC[C@H]1CNCCn1ccnc1 97086460 WWRLDQQCOFBPJO-STQMWFEESA-N 221.348 2.299 0 40 BEAB CCO/C=C/[Sn](C)(C)C 195939442 XDCGVSDJQGCUAP-UHFFFAOYSA-N 234.915 2.414 0 40 BEAB CC(C)CC(=O)CC(=O)OC(C)(C)C 196413077 SXEHUNNSIKZRRT-UHFFFAOYSA-N 200.278 2.333 0 40 BEAB CCn1c(C)c(CN)c2cc(OC)ccc21 223755494 BBPOPAFMLYEOBC-UHFFFAOYSA-N 218.300 2.437 0 40 BEAB CCCC1=NN[C@H]2CC(C)(C)CC(=O)[C@H]12 228929774 DCXXPROQGVEQJV-GXSJLCMTSA-N 208.305 2.120 0 40 BEAB CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C1CC1 238148040 SIAVYQRAQLDPMD-NSHDSACASA-N 239.315 2.365 0 40 BEAB COC(=O)C1(C(=O)c2cccc(Cl)c2)CC1 257197595 DQNWLCRIFYBIGC-UHFFFAOYSA-N 238.670 2.476 0 40 BEAB CN1C[C@H]2CC[C@H]1C[C@@]2(C(=O)O)c1ccccc1 257197848 KUIZXVCXWHFUNO-VNHYZAJKSA-N 245.322 2.123 0 40 BEAB COc1cccc2nc(Cl)c(CO)cc12 685937464 VXLIXZZWWCHDEK-UHFFFAOYSA-N 223.659 2.389 0 40 BEAB COc1ccc(-n2ccnn2)cc1C(F)(F)F 1776009178 XHPYXHLNMQFXOF-UHFFFAOYSA-N 243.188 2.295 0 40 BEAB C[C@@H]1CC[C@@H](N=c2c(N)c[nH]c3ccoc23)C1 2362804277 CNKWAWYDPHADMI-RKDXNWHRSA-N 231.299 2.432 0 40 BEAB Nc1c2c(nn1-c1ccc(F)cc1)CSC2 2455062 UBUYYBPAEDQPJJ-UHFFFAOYSA-N 235.287 2.340 0 40 BEAB O=C(CSC(F)(F)F)NCc1ccco1 40513816 VBWXFOCJNOCXMM-UHFFFAOYSA-N 239.218 2.149 0 40 BEAB N=C(N)Cc1ccc(Cl)cc1Cl 1439088 HUKFRPZKURKTQB-UHFFFAOYSA-N 203.072 2.472 0 40 BEAB CC(C)N(c1cc(=O)nc2ccccn12)C(C)C 1585282 YIRCMQWGAMTFJW-UHFFFAOYSA-N 245.326 2.318 0 40 BEAB COC(=O)Nc1ccc(NC(=O)OC)cc1 1651947 ASJZPQFCFNYJJX-UHFFFAOYSA-N 224.216 2.043 0 40 BEAB COc1cc2c(cc1N)-c1ccc(N)cc1C2=O 1714591 IEYJFIHWEDFQII-UHFFFAOYSA-N 240.262 2.071 0 40 BEAB O=C(C1=NNC[C@H]1c1ccco1)c1ccccc1 4384573 PKUDCNRUOOYXAT-NSHDSACASA-N 240.262 2.205 0 40 BEAB CC(=O)Nc1nc(C)c2c(n1)C[C@@H]1[C@@H]2C1(C)C 101389883 BESMNXKBNDKJBW-KCJUWKMLSA-N 231.299 2.039 0 40 BEAB O=C(O)[C@@H]1CCCCN1c1ccccc1 59941513 MNJZHPAZVGUHNU-NSHDSACASA-N 205.257 2.130 0 40 BEAB Cc1cccc(CN2CCOC[C@H]2C)c1 46774707 LDGDQTHUPGAISC-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB COc1ccc(-n2nc3ccccc3n2)cc1 500719 NIRODTDWIZYNHE-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB O=C(O)c1cnc(CSc2ccccc2)nc1 58042256 GHGBGMRYWRRNSU-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB OCCCn1nc(C(F)(F)F)cc1C1CC1 12357739 FTILFUMFIRAXIW-UHFFFAOYSA-N 234.221 2.162 0 40 BEAB CCOC(=O)/C=C(/C)NCc1ccccc1 100218083 RWPJUWHLVMMSQO-LUAWRHEFSA-N 219.284 2.243 0 40 BEAB CC(C)NC(=O)NCCc1c[nH]c2ccccc12 1645260 BEKYAISYHQUMPB-UHFFFAOYSA-N 245.326 2.418 0 40 BEAB COc1ccc(C(=O)N2CCCC[C@H]2C)cc1N 20155907 CAMJHPOHLHDUFE-SNVBAGLBSA-N 248.326 2.292 0 40 BEAB CCOc1ncccc1NC(=O)c1ccco1 27587693 AQKDOEUXUJTNQK-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB CCOc1ncccc1C(=O)NC1CCCC1 10409784 OBQOYGPJQFIVQT-UHFFFAOYSA-N 234.299 2.153 0 40 BEAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCC1 22014001 DSBXGUITJZILAS-SECBINFHSA-N 243.303 2.155 0 40 BEAB O=C(CSc1ccccc1)N1CCC1 12978529 IZKXPKRHLLLLBR-UHFFFAOYSA-N 207.298 2.011 0 40 BEAB Nc1ccc(OC[C@@H]2CCCO2)c(Cl)c1 14630016 BXBUDXWNITUWFO-VIFPVBQESA-N 227.691 2.480 0 40 BEAB Cc1ccc(C(=O)O)cc1N1CCCC1 8700931 WFIMETDAYDXAMM-UHFFFAOYSA-N 205.257 2.293 0 40 BEAB Cc1ccc(F)c(CN2CCC(N)CC2)c1 67801077 KTTSLHOFBRFFNO-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB COC(=O)c1cc(-c2cccc(C)c2)on1 96190307 LTLTWPKMZBCLFK-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB CCCc1[nH]ncc1C(=O)OCc1ccccn1 96999156 NHUFVMCIHRJQRI-UHFFFAOYSA-N 245.282 2.114 0 40 BEAB CC(C)c1nsc(NC[C@H]2CCCO2)n1 72295190 DPOQHJSFGNRVME-MRVPVSSYSA-N 227.333 2.252 0 40 BEAB CCCNC(=O)CSCC1CCCC1 97138560 JUBDXPJAUBJUHI-UHFFFAOYSA-N 215.362 2.436 0 40 BEAB CCCCCNC(=O)NC[C@@H]1CCO[C@H](C)C1 95457440 LTQQKJNFFYXPSP-VXGBXAGGSA-N 242.363 2.291 0 40 BEAB Cc1csc(NC(=O)NOC2CCCC2)n1 89265149 HFAPSBGJQUTFSN-UHFFFAOYSA-N 241.316 2.447 0 40 BEAB CCOC(=O)c1nn(CC(C)C)cc1Cl 408716187 JTFFFMMTMVACLY-UHFFFAOYSA-N 230.695 2.369 0 40 BEAB CC[C@@H]1c2cc(OC)c(O)cc2CCN1C 3847422 CZISOUSQPMDBJE-LLVKDONJSA-N 221.300 2.340 0 40 BEAB biogenic O=c1cccc(C(F)(F)C(F)(F)F)[nH]1 34076916 UUEDPMIVCSMVTI-UHFFFAOYSA-N 213.105 2.029 0 40 BEAB CSCC[C@H](N)c1nc(C2CCCC2)no1 37756499 BNEZDHOGRMUPAQ-VIFPVBQESA-N 241.360 2.480 0 40 BEAB COc1ccc(OC)c([C@H]2CCCCN2C=O)c1 72221898 XJHWOHXLFBZDEH-CYBMUJFWSA-N 249.310 2.387 0 40 BEAB COC(=O)c1cc(N)cc(Br)c1C 83890920 KSJXWULLKPTDCZ-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB C[C@H](C(=O)O)[C@@H]1CCN(Cc2ccccc2)C1 82343102 HBRSSCLTCVYAAK-WCQYABFASA-N 233.311 2.229 0 40 BEAB CC(C)[C@H](C)NC(=O)Cc1cccs1 41902820 VTWXLVVSVJAGPN-VIFPVBQESA-N 211.330 2.451 0 40 BEAB CCn1c(CO)nc2cc(Cl)ccc21 40417183 FGDDFMBYZDYHDI-UHFFFAOYSA-N 210.664 2.202 0 40 BEAB CC[C@H](C)n1c(CCOC)ccc1C(=O)OC 226030503 UIEYZNPNYKDTGA-JTQLQIEISA-N 239.315 2.435 0 40 BEAB CCn1cc(N)c(NCCc2ccccc2)n1 95836775 OUDIGININMUDMK-UHFFFAOYSA-N 230.315 2.140 0 40 BEAB CC[C@@H](C)[C@@H](NC)C(=O)OCc1ccccc1 98044085 ATJJWXDHFSKJKM-DGCLKSJQSA-N 235.327 2.364 0 40 BEAB COC(=O)c1[nH]ccc1-c1ccc(OC)cc1 258119732 MKHDDEBPYVMJCG-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB Cc1ccnc([C@H]2CCCN(C(C)C)C2)n1 257288415 PUBYBIWMKZJSQV-LBPRGKRZSA-N 219.332 2.373 0 40 BEAB Cc1cnn(CCF)c1NCc1cccn1C 256052418 NEXZYEZGEAFODU-UHFFFAOYSA-N 236.294 2.112 0 40 BEAB CCc1nnc(NC(=O)c2ccsc2)s1 22398828 CUPFXPKASSVTTR-UHFFFAOYSA-N 239.325 2.414 0 40 BEAB CC[C@H](C(=O)O[C@H]1CCSC1)N(CC)CC 95943888 FNYOCSMXQZJFBE-WDEREUQCSA-N 245.388 2.156 0 40 BEAB Cc1csc(N2C[C@H]3CCC[C@]3(CO)C2)n1 1888844174 UBQZSSGJFOPCAG-ZYHUDNBSSA-N 238.356 2.050 0 40 BEAB CCOC(=O)C1=C(C)Nc2ccccc2NC1=N 13684336 GPILVEXLISFHOO-UHFFFAOYSA-N 245.282 2.338 0 40 BEAB CCc1nnc(COc2cccc(C=O)c2)o1 15418557 KYWZXZBASUCTET-UHFFFAOYSA-N 232.239 2.024 0 40 BEAB O=C1NNC(c2ccccc2)=Nc2ccccc21 17142426 YNJXCMLTVGLFMW-UHFFFAOYSA-N 237.262 2.013 0 40 BEAB COCC(=O)c1cc(F)ccc1Cl 164389450 DQFYXEAXRGEUCW-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB Cc1ccc(CNCc2cnn(C)c2)cc1 2536041 IXZQIVSQEPBXAR-UHFFFAOYSA-N 215.300 2.018 0 40 BEAB CCn1nc(-c2ccc(C)cc2)ccc1=O 5396468 AMTRMCXYANZOME-UHFFFAOYSA-N 214.268 2.239 0 40 BEAB C/C(Br)=C(/Br)C(=O)O 1767681 JLOCFBSZCRXEES-IHWYPQMZSA-N 243.882 2.092 0 40 BEAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCO1 40458944 FZUCBYZCMUUSHK-MRVPVSSYSA-N 245.200 2.221 0 40 BEAB COc1cccc(Nc2ncnc3[nH]cnc23)c1 31969 AXPCHVXFDHPTBW-UHFFFAOYSA-N 241.254 2.105 0 40 BEAB biogenic,in-vitro O=Cc1cocc(-c2ccccc2)c1=O 165669 HRXCXWWVCVNVRZ-UHFFFAOYSA-N 200.193 2.119 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1c(Cl)cnn1C 483356 KBAPCFHMTCXKIQ-MRVPVSSYSA-N 241.722 2.088 0 40 BEAB CC[C@@H](O)[C@H]1Sc2ccccc2N1C 1609159 ZQAWGMGAQOXRPM-MWLCHTKSSA-N 209.314 2.326 0 40 BEAB C[n+]1cccc(/C=C/C(=O)Nc2ccccc2)c1 1749843 RVPPAVZBHGHYOB-MDZDMXLPSA-O 239.298 2.163 0 40 BEAB CCOc1cc(Br)ccc1NN 3676548 ZPWFKXCIZKCOGA-UHFFFAOYSA-N 231.093 2.133 0 40 BEAB CONC(=O)Nc1ccc(C)c(Cl)c1 4290496 MQOGIPBFSZSIFC-UHFFFAOYSA-N 214.652 2.331 0 40 BEAB NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 8029000 GMDBVPHSECPGQQ-CQSZACIVSA-N 243.306 2.052 0 40 BEAB O=C(Nc1nccs1)c1ccc2[nH]cnc2c1 9912417 QFGBJTBUBDGTBC-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB Cc1cc(C)cc(NC(=O)c2ccc[nH]c2=O)c1 13022191 NEPKHISYRHNPSX-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB O[C@@]12CCCC[C@H]1CN(Cc1ccccn1)CC2 19401591 RPRHYUWMVLXVKX-DZGCQCFKSA-N 246.354 2.209 0 40 BEAB NCCCc1ccc(Br)cc1 19779315 WSHIIAOBOIOENJ-UHFFFAOYSA-N 214.106 2.340 0 40 BEAB O=C(c1nc(-c2cccs2)no1)N1CCCC1 20722930 PEWYCCYNXMVGAA-UHFFFAOYSA-N 249.295 2.034 0 40 BEAB O=C(O)[C@H]1CCCCN1C(=O)CC1CCCC1 21966872 ZOYPIEHDMRFZFV-LLVKDONJSA-N 239.315 2.032 0 40 BEAB CC(C)n1nccc1NC(=O)c1cccnc1 22288933 KKWSJGCQYPKPSY-UHFFFAOYSA-N 230.271 2.111 0 40 BEAB Cc1cccc(C(=O)NOCc2ccccc2)n1 25286789 DPDUKAKBKHZBQZ-UHFFFAOYSA-N 242.278 2.252 0 40 BEAB Cn1ncc(NCc2ccccc2)c(Cl)c1=O 26029971 JATQFCGMMLNIJW-UHFFFAOYSA-N 249.701 2.046 0 40 BEAB C[C@H](Sc1ccccc1)C(=O)N(C)C 31850896 HHHLTBLIHKCVSI-VIFPVBQESA-N 209.314 2.255 0 40 BEAB CC(C)c1nc2cc3c(cc2[nH]1)OCCO3 31943899 BNOPVYPYEDYVEW-UHFFFAOYSA-N 218.256 2.458 0 40 BEAB Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C)c1 32760758 JXKCBEJQWITBPW-JQWIXIFHSA-N 203.285 2.267 0 40 BEAB O=C(NCC(F)(F)F)c1ccsc1 38488741 ZQRPUQOAFMWHNF-UHFFFAOYSA-N 209.192 2.040 0 40 BEAB CC(=O)Cn1c(C)nc(Cl)c1Cl 40162837 SGBGOUTZSSFROX-UHFFFAOYSA-N 207.060 2.087 0 40 BEAB CC(=O)C1[C@H]2C=C[C@H]3C2C2[C@@H]1C=C[C@H]2C3C(C)=O 45028024 WAFUAESYRJBJEJ-FNIKWNKOSA-N 242.318 2.261 0 40 BEAB CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 53389208 VDPZFDKQGHCORN-VIFPVBQESA-N 203.285 2.372 0 40 BEAB CCc1cccc2c1ncc1c(O)n[nH]c12 64874806 KPGKGUNGWWISGA-UHFFFAOYSA-N 213.240 2.379 0 40 BEAB CCN(CC)c1cc(C)c([C@@H](C)O)cn1 72223260 CSMATZUVUOZRCG-SNVBAGLBSA-N 208.305 2.290 0 40 BEAB Cc1ccc([C@]2(O)CCN(C(C)C)C2)cc1 72350982 JUJZLDNIHSPBFX-AWEZNQCLSA-N 219.328 2.297 0 40 BEAB CN1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 72366078 HDRXIWREZUUSFF-LLVKDONJSA-N 244.260 2.282 0 40 BEAB CC(C)N1CCC(c2csc(N)n2)CC1 72367737 VQHHMSFIACOOKT-UHFFFAOYSA-N 225.361 2.313 0 40 BEAB CC[C@@](C)(NCCCO)c1nc(C)cs1 72863362 HMOVWNYLYNWACB-LLVKDONJSA-N 228.361 2.049 0 40 BEAB COc1cccc(-n2ccc(C(=O)O)c2C)c1 75420450 CMSWZSRPFQBZFG-UHFFFAOYSA-N 231.251 2.493 0 40 BEAB c1ccc(CN(C2CC2)[C@H]2CCCNC2)cc1 79437999 MQWGGUMLYJKQFK-HNNXBMFYSA-N 230.355 2.403 0 40 BEAB O=Cc1nccn1-c1cccc(Cl)c1 82378418 SUSAFDFSMBIWTL-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB NC(=O)c1ccccc1OC1CCCCC1 95401264 ZVNAOOSZEVZBJD-UHFFFAOYSA-N 219.284 2.497 0 40 BEAB O=C1[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@H]2C(Cl)(Cl)[C@H]5[C@H]14 102942831 LOPCDUAQBZDNKR-UWTWNTNCSA-N 229.106 2.117 0 40 BEAB CC(C)Oc1cc(F)c(F)cc1C(=O)O 213087540 BNVBZZHYTXVHSS-UHFFFAOYSA-N 216.183 2.450 0 40 BEAB Cc1cc(NCCCN)c2cccc(F)c2n1 222686708 DTTMPOKZEDHKQB-UHFFFAOYSA-N 233.290 2.443 0 40 BEAB COC(=O)c1cc(Br)cc(O)c1C 238340034 ZUKLMGVEFUOZOV-UHFFFAOYSA-N 245.072 2.250 0 40 BEAB Cc1ccc(OC[C@]2(O)CCCNCC2)cc1C 399482146 AWHPTIPDDQUVCT-HNNXBMFYSA-N 249.354 2.187 0 40 BEAB CCCN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O 409241785 UURCDNBWPZBBSZ-DHZHZOJOSA-N 248.257 2.128 0 40 BEAB Cc1cccnc1O[C@H]1CCC[C@H]1N(C)C 585655168 VXTJIUDNLSUORL-NEPJUHHUSA-N 220.316 2.252 0 40 BEAB CCc1cc(NC(=O)[C@@H]2CC23CCC3)no1 675334549 QWPCVUNVXFJXNM-VIFPVBQESA-N 220.272 2.366 0 40 BEAB CC1(C)CC[C@H](n2nc3n(c2=O)CCCC3)C1 818078039 VQPGMHZWPSCDMJ-JTQLQIEISA-N 235.331 2.132 0 40 BEAB Cc1ccccc1NC(=O)CN1CCCCC1 51206 LWJQUXGMHVZDSY-UHFFFAOYSA-N 232.327 2.419 0 40 BEAB CC(C)=CC(=O)NCCc1ccccc1 145632 FCKSARQRQMJRHX-UHFFFAOYSA-N 203.285 2.312 0 40 BEAB biogenic Cc1ccc(-n2c(C)nn(CC3CC3)c2=O)cc1 1385044 YMVXZISIXMJOOQ-UHFFFAOYSA-N 243.310 2.061 0 40 BEAB CN(C#N)c1nccc(-c2cccs2)n1 1390718 PYQVDTVMCOHWDL-UHFFFAOYSA-N 216.269 2.122 0 40 BEAB Cc1ccc(C(=O)c2ccc[n+](C)c2)cc1 1585434 USIIPFQYKYRHEQ-UHFFFAOYSA-N 212.272 2.051 0 40 BEAB CCOC[C@H]1CO[C@@H](c2ccc(OC)cc2)O1 1676071 TWGSRLWWRLNYSH-QWHCGFSZSA-N 238.283 2.146 0 40 BEAB C[C@H]1CCCN(Cn2nnc3ccccc32)C1 2016787 UTTHDTVLDARJEP-NSHDSACASA-N 230.315 2.121 0 40 BEAB O=C(COC(=O)c1ccco1)Nc1ccccc1 3235131 PUEHEJCTSYCYMF-UHFFFAOYSA-N 245.234 2.075 0 40 BEAB Cc1cc(C)cc(CN2C(=O)CSC2=O)c1 4105382 UWQXVLOYJHTHPQ-UHFFFAOYSA-N 235.308 2.499 0 40 BEAB O=C(Nc1nnc(-c2ccccc2)o1)C1CC1 4330297 MNHRGMBCLFOZKF-UHFFFAOYSA-N 229.239 2.085 0 40 BEAB Cc1ccc(C)c(NC(=O)C(=O)NCC(C)C)c1 5184406 CPWZXBAQDVXCKU-UHFFFAOYSA-N 248.326 2.014 0 40 BEAB CC(C)(C)OC[C@H](O)CNC1CCCCC1 7636342 GCKSLZXHJMZOTL-GFCCVEGCSA-N 229.364 2.085 0 40 BEAB C[C@H](Nc1cccc(Br)c1)C(=O)O 8702706 RZKNPTBIKBLHJG-LURJTMIESA-N 244.088 2.334 0 40 BEAB CCCN(CCC)C(=O)[C@@H](N)Cc1ccccc1 11754353 ONMIUVAYPOZJQT-AWEZNQCLSA-N 248.370 2.205 0 40 BEAB C[C@H](NS(=O)(=O)c1ccccc1)C(C)(C)C 13320715 LVDUZNUYEZFSMY-JTQLQIEISA-N 241.356 2.400 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@@H](C)O)c(OC)c1 20392308 CULABQLGBWDNOG-ZHAHWJHGSA-N 222.284 2.188 0 40 BEAB Nc1cccc(OCc2ccncc2)c1 22164887 SGZDHKIKCCYMKB-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB in-vitro C[C@H](C(=O)Nc1ccccc1)n1cccn1 28192832 HPILDFIHIQPFLW-SNVBAGLBSA-N 215.256 2.083 0 40 BEAB NC(=O)CCSc1cccc(Cl)c1 33433386 GFEDWGRIFZDMBC-UHFFFAOYSA-N 215.705 2.308 0 40 BEAB c1ccc2c(c1)CCCC[C@H]2N1CCNCC1 34521606 RUPPNTKKSZNANF-OAHLLOKOSA-N 230.355 2.359 0 40 BEAB O=C(CC[C@@H]1CCCNC1)N1CCCCCC1 36757345 ZYCBNXGIMKDWHW-ZDUSSCGKSA-N 238.375 2.169 0 40 BEAB CC(=O)N1CCC(c2ccc(O)cc2)CC1 37498016 PTERMDVDUAUGDS-UHFFFAOYSA-N 219.284 2.118 0 40 BEAB in-vitro CCc1ccc2nc(N3C=NNC=N3)sc2c1 40538099 XJDFFNLLVGPWSN-UHFFFAOYSA-N 245.311 2.155 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(N)=S 70649948 OLZRMIGDZLTJLM-QMMMGPOBSA-N 244.360 2.062 0 40 BEAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCN2)n1 70947416 XMDGVBMADSZYRQ-ZETCQYMHSA-N 231.221 2.228 0 40 BEAB COc1ccc(-c2cc(NC(C)=O)[nH]n2)cc1 71405360 HGYRBIHSTDCIJS-UHFFFAOYSA-N 231.255 2.044 0 40 BEAB CC(C)(C)CC(=O)NCCN1CCCCCC1 71884759 FHALOMQREJWRTM-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB CC(C)COC[C@@H](C)NC(=O)C1CCCC1 71924328 ROZAQOPQBLNZRC-LLVKDONJSA-N 227.348 2.354 0 40 BEAB CCc1csc(N2CCN(C(C)C)CC2)n1 79023842 BGSQKMVIIDIMSN-UHFFFAOYSA-N 239.388 2.236 0 40 BEAB CN(CC1(O)CCCC1)c1ccc(Cl)cn1 95449490 XHMALCRPFUGBCM-UHFFFAOYSA-N 240.734 2.476 0 40 BEAB CONC(=O)c1ccc(-c2ccccc2)nc1C 95946661 RUSGMBWSKBZKQH-UHFFFAOYSA-N 242.278 2.348 0 40 BEAB CCc1oc(C(=O)N[C@](C)(CC)CO)cc1C 97081762 YMUJRBMLIVMFJE-CYBMUJFWSA-N 239.315 2.041 0 40 BEAB Cc1cccc(NCC(=O)NC2CCCCC2)n1 97096664 FBMXLEFSMAXRMG-UHFFFAOYSA-N 247.342 2.251 0 40 BEAB Cc1cnn(Cc2ncc(C(C)C)o2)c1 98013754 DLMXZRYBCZEBBX-UHFFFAOYSA-N 205.261 2.351 0 40 BEAB NC(=O)c1cc(-c2ccc(F)cc2)sc1N 100045151 VBTAQVWRVWJQFL-UHFFFAOYSA-N 236.271 2.235 0 40 BEAB CC(=O)c1cn(Cc2ccccc2)cn1 107368330 YVYNRWGPNLOYKV-UHFFFAOYSA-N 200.241 2.134 0 40 BEAB N[C@@H](C(=O)O)c1ccc2c(c1)Cc1ccccc1-2 199810713 PUJYGBFOCULTQO-CQSZACIVSA-N 239.274 2.342 0 40 BEAB c1ccc(N2CCC[C@@H](Cc3ccn[nH]3)C2)nc1 205695918 WONPPWOVLMMXIK-LBPRGKRZSA-N 242.326 2.264 0 40 BEAB O=C(NC1CC1)c1ccc2oc(Cl)nc2c1 225974366 JLCJZIMQYCUUAS-UHFFFAOYSA-N 236.658 2.373 0 40 BEAB CCC(=O)N1CCC(C(C)(F)F)CC1 252502660 USMVKSBTCKKWDP-UHFFFAOYSA-N 205.248 2.290 0 40 BEAB COc1ncc(-c2nc(C(C)(C)C)no2)c(C)n1 253396489 DVYRGTQLRSQZAM-UHFFFAOYSA-N 248.286 2.141 0 40 BEAB COC(=O)c1ccccc1C(=O)C1CC1 257823507 DZLCJARLXUZAFA-UHFFFAOYSA-N 204.225 2.066 0 40 BEAB Cc1c(Br)ccc(N)c1O 575720013 CCGKETUQKBEEEX-UHFFFAOYSA-N 202.051 2.045 0 40 BEAB c1ccc2nc(O[C@@H]3CCOC3)ccc2c1 585650507 APBSXBDTEXXSEU-LLVKDONJSA-N 215.252 2.403 0 40 BEAB Cc1nsc(OC2CCC(N(C)C)CC2)n1 585651380 DFMQNZGFGIXOIJ-UHFFFAOYSA-N 241.360 2.098 0 40 BEAB CC(=O)NCC[C@H]1CCc2ccc3c(c21)CCO3 22921 SDSGISCYQWUIMI-GFCCVEGCSA-N 245.322 2.178 0 40 BEAB CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 488387 WJIFPSFOSMKSAB-UHFFFAOYSA-N 236.702 2.500 0 40 BEAB COc1ccc2ccc3nonc3c2c1 1578489 DWHVGEZLCYUYAM-UHFFFAOYSA-N 200.197 2.385 0 40 BEAB OC[C@@]12CCCC[C@@H]1CC1(CC2)OCCO1 1729852 LMIFASMCQAQHPQ-NEPJUHHUSA-N 226.316 2.082 0 40 BEAB Cc1ccc(C)c(NC(=O)COC(=O)C2CC2)c1 3392898 QTOJZTPSLRSNMQ-UHFFFAOYSA-N 247.294 2.195 0 40 BEAB CCOc1ccc2[nH]cc(CCCN)c2c1 3698490 GCRAKBFBRGCOSX-UHFFFAOYSA-N 218.300 2.458 0 40 BEAB Cc1ncc(C(=O)O)c(C)c1Br 3881099 QQGXFWWAZULHIZ-UHFFFAOYSA-N 230.061 2.159 0 40 BEAB in-vitro COC(=O)c1ccc(C)c(N2CCCC2)c1 4245070 VVILSFLCWBZFJL-UHFFFAOYSA-N 219.284 2.382 0 40 BEAB CCNC(=O)[C@H](CC)Oc1ccccc1F 8495815 YDYIFZFJFYLHNH-JTQLQIEISA-N 225.263 2.119 0 40 BEAB COCCNCc1c[nH]nc1-c1ccc(C)cc1 12538875 CDRYVIAZICETCS-UHFFFAOYSA-N 245.326 2.121 0 40 BEAB CC(C)Cc1ccc([C@@](C)(N)C(=O)O)cc1 19485862 NNPRIWDPKFSCHG-CYBMUJFWSA-N 221.300 2.144 0 40 BEAB NCCCCNc1ccnc2ccccc12 19721348 DQBUXZKYRIJWKO-UHFFFAOYSA-N 215.300 2.386 0 40 BEAB Cc1nn(CCc2ccccc2)c(C)c1N 19869433 BHDIMAIBIQWXPD-UHFFFAOYSA-N 215.300 2.325 0 40 BEAB Cn1c([C@@H](N)c2ccncc2)nc2ccccc21 19930061 PRLYWJUNLNBTRM-ZDUSSCGKSA-N 238.294 2.016 0 40 BEAB in-vitro Cc1nc(Br)c2ccccn12 20263923 WPVHAIYEFKCIHX-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCc1ccccc1F 21269937 ZSUNDFGRFWRAHX-WPRPVWTQSA-N 207.248 2.098 0 40 BEAB CC(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 32010172 PELHIDUSZKOBNI-CHWSQXEVSA-N 203.285 2.445 0 40 BEAB NCCN(Cc1ccccc1Cl)C1CC1 32014908 REBUXQWOEZJVGE-UHFFFAOYSA-N 224.735 2.263 0 40 BEAB NC1(C(=O)NCc2cccs2)CCCCC1 36667077 SGMUEMLWZVIENH-UHFFFAOYSA-N 238.356 2.026 0 40 BEAB C[C@H](CCc1ccc(O)cc1)NCc1cc[nH]n1 37140297 OWIDFYAKEQOONF-LLVKDONJSA-N 245.326 2.226 0 40 BEAB C[C@@](C(=O)O)(c1ccccc1)N1CCCCC1 37361814 NMCQKSSXSWXZOO-AWEZNQCLSA-N 233.311 2.472 0 40 BEAB COC(=O)CC(=O)c1ccc(C)cc1C 41214570 OYAQLGZENBVVRZ-UHFFFAOYSA-N 206.241 2.049 0 40 BEAB in-vitro Cc1nnc(CN(C)[C@H]2CCc3ccccc32)o1 42635217 GQKARBBIRIGEHD-ZDUSSCGKSA-N 243.310 2.497 0 40 BEAB Cc1cc(N[C@H](C)c2ccco2)nc(N)n1 43533283 YEFSHERBIJVOPE-MRVPVSSYSA-N 218.260 2.133 0 40 BEAB CCNC(=O)CN(Cc1ccc(C)cc1)C1CC1 45837863 AUKXHHYQFDBKEG-UHFFFAOYSA-N 246.354 2.096 0 40 BEAB Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)[nH]n1 48818254 KYQCXBXISLZSSI-GFCCVEGCSA-N 241.294 2.135 0 40 BEAB Cc1cnc(NCc2cccc(C(=O)O)c2)nc1 63048229 MODJTWCIYWQFGE-UHFFFAOYSA-N 243.266 2.095 0 40 BEAB in-vitro FC(F)(F)c1ccc2c(c1)[C@]1(CCNC1)CO2 66346320 YIFAPNRTOBLZIM-NSHDSACASA-N 243.228 2.329 0 40 BEAB COC(=O)CC[C@]1(C)[C@H]2CC[C@]1(C)C(=O)C2 72207276 UNJPZBCQPIYUEJ-ZWKOPEQDSA-N 224.300 2.335 0 40 BEAB Cc1ccc(-c2cc(CCN)[nH]n2)cc1C 72226120 FUPZSLJBSAPPKD-UHFFFAOYSA-N 215.300 2.195 0 40 BEAB CC(C)(C)CN1CC(c2n[nH]c3ncccc23)C1 72361189 JHFCXGYUAOUCFY-UHFFFAOYSA-N 244.342 2.403 0 40 BEAB CC(=O)Nc1cccc(C2CCNCC2)c1 75904860 PHIHJBHFVGHXKT-UHFFFAOYSA-N 218.300 2.112 0 40 BEAB COc1ccc(Br)c(F)c1N 75915354 DYYFJEFOAVDMJB-UHFFFAOYSA-N 220.041 2.179 0 40 BEAB C[C@@H]1CCC[C@H](C(=O)OCc2cnn(C)c2)C1 76871827 HSFNQUKCFDYQPY-PWSUYJOCSA-N 236.315 2.290 0 40 BEAB COC(=O)[C@@](C)(Br)c1ccccc1 85395047 XECIJJYOXCSSSF-JTQLQIEISA-N 243.100 2.470 0 40 BEAB CCOCCCC(=O)Nc1ccc(O)cc1C 85810780 QHAFEAPPPVTUOD-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB CC(C)(C(=O)O)c1cncc(Br)c1 95707219 IWSACRJRTVWJOG-UHFFFAOYSA-N 244.088 2.206 0 40 BEAB COCc1cccc(Cn2ccnc2C)c1 95990944 WKOWFOKEORGPFD-UHFFFAOYSA-N 216.284 2.386 0 40 BEAB c1cc2c(cc1N[C@H]1CCCOC1)COC2 95991738 LXPNAESJZPNIOX-ZDUSSCGKSA-N 219.284 2.308 0 40 BEAB CC(C)N[C@@H]1c2cccc(F)c2[C@@H]2CNC[C@H]12 96205742 PVBTWVWBIUUVOP-UHIISALHSA-N 234.318 2.181 0 40 BEAB Cn1c(Cl)nc(-c2ccccc2)cc1=O 96511309 VJRHVFOYFIVEMV-UHFFFAOYSA-N 220.659 2.101 0 40 BEAB O=C(OC1CCOCC1)c1ccccc1 97230285 IZHWHGGQMOCNEU-UHFFFAOYSA-N 206.241 2.022 0 40 BEAB COCCCN1CCc2c(cccc2OC)C1 97238728 NTEAERARRJDHAO-UHFFFAOYSA-N 235.327 2.090 0 40 BEAB Cc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2 100092861 DXCOCPOTYURGHS-NTUHNPAUSA-N 244.338 2.054 0 40 BEAB Cc1ccc([C@H]2OC(=N)C(O)=C2O)cc1 104239646 YZCADHGHZDWTOR-SNVBAGLBSA-N 205.213 2.371 0 40 BEAB CCOc1cccc(C(=O)O[C@H]2CCOC2)c1 107016401 LAYXCSOPXLRDIE-LBPRGKRZSA-N 236.267 2.031 0 40 BEAB CCCc1nc([C@@H]2CCCCCN2)no1 159522354 MOKODIYQKLXQED-VIFPVBQESA-N 209.293 2.227 0 40 BEAB CC(C)OCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 225435835 ZQPMEITVVNPEGT-SDDRHHMPSA-N 226.316 2.391 0 40 BEAB CCN1CCCC[C@@H]1CNc1cc(C)ncn1 301222453 CJXPYKUOXADAQP-GFCCVEGCSA-N 234.347 2.071 0 40 BEAB Cc1ncc(C)c(Oc2cccnc2)n1 558520594 QJVWXBDHZVJQJS-UHFFFAOYSA-N 201.229 2.281 0 40 BEAB CC(C)NC(=O)N(C)Cc1ccccc1 399320 RZSIDMCEWFVTTQ-UHFFFAOYSA-N 206.289 2.236 0 40 BEAB COc1ccc(C(=O)NCC(C)C)cc1 1596284 PPLWMALMSINSBP-UHFFFAOYSA-N 207.273 2.081 0 40 BEAB S=C(c1ccccc1Cl)N1CCOCC1 1704215 PAZJESSUUNQYHH-UHFFFAOYSA-N 241.743 2.348 0 40 BEAB CC(C)(C)OP(=O)(NN)OC(C)(C)C 1869675 MBLMFBHYRMXQAP-UHFFFAOYSA-N 224.241 2.188 0 40 BEAB CCC(=O)NC(=S)N(CC)c1ccccc1 2135878 OHFKOTJBHJDVIF-UHFFFAOYSA-N 236.340 2.324 0 40 BEAB CCCNc1nnc(-c2ccncc2)s1 4992737 DRQIHGAVVDJUGX-UHFFFAOYSA-N 220.301 2.422 0 40 BEAB CCc1cccc(NC(=O)C2=COCCO2)c1 5465582 BRUHHRIUJAGNPB-UHFFFAOYSA-N 233.267 2.076 0 40 BEAB Nc1ccc(-c2nnc(S)s2)cc1 6045279 DONRAITWVIBXOQ-UHFFFAOYSA-N 209.299 2.076 0 40 BEAB COCCOc1ccc(N)cc1C(F)(F)F 6678523 MTLLVZDLLCJHSE-UHFFFAOYSA-N 235.205 2.313 0 40 BEAB CNc1ccc(C(=O)N2CCCCC2)cc1 12249889 TXELAFDVSMPXNW-UHFFFAOYSA-N 218.300 2.354 0 40 BEAB O=C(OCc1ccccc1)c1cc(O)ccc1O 13481456 LRYANVPYFCKCCR-UHFFFAOYSA-N 244.246 2.455 0 40 BEAB biogenic O=C(c1c(F)cc(F)cc1F)C1CCNCC1 19414214 NZQPMYHNANODHN-UHFFFAOYSA-N 243.228 2.286 0 40 BEAB in-vitro CCOc1ccc(C(=O)N(CC)CC)cc1N 20155579 ACZRYBMYKOCGJB-UHFFFAOYSA-N 236.315 2.150 0 40 BEAB OCc1ccc(OCC(F)(F)F)c(F)c1 20435113 ZHTBCTPCRMLCCH-UHFFFAOYSA-N 224.153 2.259 0 40 BEAB CC[C@@H](CO)Nc1ccc(C(C)=O)cc1 26897170 ADLWTVAZOUEWSP-NSHDSACASA-N 207.273 2.072 0 40 BEAB Cc1cc(Sc2nccn2C)ccc1N 35278535 XPTRZWPIORYHEL-UHFFFAOYSA-N 219.313 2.462 0 40 BEAB in-vitro Cn1c(=O)cc(C(F)F)c2c(C3CC3)noc21 35655637 LLUSNALQSXIGIJ-UHFFFAOYSA-N 240.209 2.342 0 40 BEAB Cc1n[nH]c(NCc2ccccc2Cl)n1 35684097 JGWAEJHZUBXQEY-UHFFFAOYSA-N 222.679 2.379 0 40 BEAB NC1CCN(Cc2ccc(F)cc2Cl)CC1 36754312 WLMUBAJRXMQQNI-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB O=C(/C=C/c1cccnc1)Nc1cccnc1 37151202 KLJNCMNSTPKNLE-AATRIKPKSA-N 225.251 2.129 0 40 BEAB Cc1cc(N[C@@H](C)c2ccco2)nc(N)n1 43533281 YEFSHERBIJVOPE-QMMMGPOBSA-N 218.260 2.133 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)CCn2cccn2)[C@@H]1C 47666016 XNLOBKHIBPEABL-UPJWGTAASA-N 249.358 2.214 0 40 BEAB Cc1cccc(CN(CCO)C(C)C)c1 49826449 BVWZPLZHFMGLLO-UHFFFAOYSA-N 207.317 2.198 0 40 BEAB Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)on1 51996440 LARYEZURLACHHL-QWHCGFSZSA-N 236.315 2.126 0 40 BEAB COCCN(C)CCOc1ccccc1Cl 53421076 KEOYMPQKTFWYKA-UHFFFAOYSA-N 243.734 2.297 0 40 BEAB Cc1cc(C(=O)O)c(O)c(Br)c1C 57339860 QGQCWIZFBVTESH-UHFFFAOYSA-N 245.072 2.470 0 40 BEAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CO1 58324166 ONGFIMHMTAZHPB-VSONXHSHSA-N 245.322 2.336 0 40 BEAB CCC(C)(C)NC(=O)c1cnc2onc(C)c2c1 65369706 SFRQZOVNZJEWOW-UHFFFAOYSA-N 247.298 2.450 0 40 BEAB Cc1nc(CN[C@@H](C)[C@@H](C)n2cccn2)oc1C 69948462 FQOYZOCQOSKBJA-GXSJLCMTSA-N 248.330 2.227 0 40 BEAB FC(F)(F)CNc1ncc(Cl)cn1 72221169 RFQKSMBIXUVGRC-UHFFFAOYSA-N 211.574 2.104 0 40 BEAB Nc1ccc(C(=O)O)cc1C(=O)c1ccccc1 75835294 VXAANIFHFNNVJN-UHFFFAOYSA-N 241.246 2.198 0 40 BEAB COc1cc(COC(=O)CSC)ccc1C 77961820 HXTKMHPFYKAMFG-UHFFFAOYSA-N 240.324 2.410 0 40 BEAB Cc1ccccc1OCCN(C)c1nncs1 79064180 YNXQIBDWRVWKJO-UHFFFAOYSA-N 249.339 2.362 0 40 BEAB Cc1ccccc1[C@H](O)C1(CN)CC(C)C1 85396037 ZQWDYHKYTISTTD-AWAWDMARSA-N 219.328 2.403 0 40 BEAB COC(=O)c1cnc(Cl)c2[nH]ccc12 89212983 BLUALQAERCBPEA-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB Cc1noc(CCN[C@H](C)c2cccc(F)c2)n1 89518871 STOZCQADAZIEAY-SECBINFHSA-N 249.289 2.410 0 40 BEAB NC1(c2cc(C(F)(F)F)ccn2)CC1 91691821 ROWUMZFJRTUADK-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CO[C@@H]1CCCN(Cc2ccsc2)C1 91772859 MYAWGYNFDRSAMY-LLVKDONJSA-N 211.330 2.359 0 40 BEAB CC(=O)N1CCC2(CC1)CNc1c(F)cccc12 96261780 PVDBJTGJWCKCDC-UHFFFAOYSA-N 248.301 2.131 0 40 BEAB COC(=O)c1cc(OC[C@H]2CCCO2)cs1 96511068 ATEWUYOCJCGAJG-MRVPVSSYSA-N 242.296 2.093 0 40 BEAB COc1cc(Cl)cc2c1OCC(C(=O)O)=C2 96516583 ZSIGHNCUPOUSJN-UHFFFAOYSA-N 240.642 2.209 0 40 BEAB CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)OC 106836524 JJTVJYIRQKTDEE-QJPTWQEYSA-N 227.348 2.496 0 40 BEAB CC1(C)C[C@@]2(C(=O)O)CC[C@@]1(C)[C@H](O)C2 110767537 LEQOOBIITMGKPW-JFUSQASVSA-N 212.289 2.038 0 40 BEAB COc1ccc([Si](C)(C)C)cc1OC 195756225 YGECRSZTHPBDLH-UHFFFAOYSA-N 210.349 2.249 0 40 BEAB CN1C(=S)S[C@H]2Cc3ccccc3O[C@H]21 225392766 DJRNZJLDMXIVHT-VHSXEESVSA-N 237.349 2.280 0 40 BEAB O=C(C1CC1)N1CC[C@H](c2ccsc2)C1 675008114 AXPJDJXDGZTFLH-JTQLQIEISA-N 221.325 2.474 0 40 BEAB COc1ccc2c(=O)c(-c3ccon3)coc2c1 178236 XCINEFKRVDPUGE-UHFFFAOYSA-N 243.218 2.457 0 40 BEAB biogenic O=C1NC[C@@H](COc2cccc3ccccc23)O1 207884 FORFUJZFLATLAG-NSHDSACASA-N 243.262 2.327 0 40 BEAB Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 225985 XGFGZUUXMPLFHH-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB in-vitro Cc1ncnc(N)c1CCCNc1ccccc1 1626866 KXBAYWORVRMNFK-UHFFFAOYSA-N 242.326 2.412 0 40 BEAB COc1ccc(CSCCC(=O)O)cc1 6230405 UNIOAHUEKBPJSK-UHFFFAOYSA-N 226.297 2.403 0 40 BEAB O=C(Nc1nccs1)Nc1nccs1 15085659 GUKZDIUCKXLTGW-UHFFFAOYSA-N 226.286 2.244 0 40 BEAB Cc1ccc(N2CCN[C@@H](C)C2)cc1C 16944764 BWMPEXYPBJMTBL-LBPRGKRZSA-N 204.317 2.102 0 40 BEAB in-vitro CN(C)C(=O)OC/C=C\c1ccccc1 17299225 FJSWXGUDIYRSEG-TWGQIWQCSA-N 205.257 2.398 0 40 BEAB Cn1cc(C=O)c(-c2ccc(F)cc2)n1 19093573 FDGWWNFZSAQDAN-UHFFFAOYSA-N 204.204 2.039 0 40 BEAB in-vitro NC[C@@H](c1cccs1)N1CCCCC1 19342948 XOGNXYLXQMWUGN-JTQLQIEISA-N 210.346 2.234 0 40 BEAB CCCOCCOc1ccc(C=O)cc1 20131530 OHPPJWBXIOAZHS-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB NC[C@@H](O)c1cccc(OC2CCCC2)c1 32013932 LFLUNKAKVJZCAA-CYBMUJFWSA-N 221.300 2.000 0 40 BEAB OCc1cccc(NCc2ccncc2)c1 35045970 PMAJVMIBWPSHLP-UHFFFAOYSA-N 214.268 2.186 0 40 BEAB C[C@H]1CCCN(Cc2nnsc2Cl)C1 35164778 RVVQQMHOCJZWQS-ZETCQYMHSA-N 231.752 2.423 0 40 BEAB CN1C(=O)S/C(=C\Nc2ccccc2)C1=O 36636155 CLQORWRREACSIY-CLFYSBASSA-N 234.280 2.265 0 40 BEAB CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1 40461911 GQJDUQMGANBWHT-AWEZNQCLSA-N 246.354 2.209 0 40 BEAB Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C 48324621 KCBYBDWNXOHIML-UHFFFAOYSA-N 233.271 2.191 0 40 BEAB CN[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 53202165 WHQKRIWCGMZEAB-AWEZNQCLSA-N 246.354 2.127 0 40 BEAB COCCNC(=O)C[C@@H](C)C1CCCCC1 65550952 OJYSBOMJZZIINS-LLVKDONJSA-N 227.348 2.356 0 40 BEAB Cc1cnn(CC2CC2)c1NC(=O)[C@@H]1C[C@H]1C 69137059 BHPRHTUNUBTSRF-LDYMZIIASA-N 233.315 2.196 0 40 BEAB Cc1ccc([C@H]2OCCC[C@H]2CN)cc1 70621993 GIHZZIZFMMONAF-QWHCGFSZSA-N 205.301 2.421 0 40 BEAB in-vitro Cc1nc(Cl)cc(NC[C@H](O)C(C)(C)C)n1 71900436 VLRQHEXDUHHOJM-QMMMGPOBSA-N 243.738 2.257 0 40 BEAB CN(C)c1ccc([C@@H](O)c2ccccc2)cn1 72225146 FRCFRYRYQZHARY-AWEZNQCLSA-N 228.295 2.229 0 40 BEAB c1cc(N2CCC[C@H](c3cnccn3)C2)ccn1 72356921 ZXMOHSUDQLQYHL-LBPRGKRZSA-N 240.310 2.256 0 40 BEAB Cc1cc(N)nc(Nc2cccc([C@@H](C)O)c2)n1 75156673 OYEZOJTUAZFUAP-SECBINFHSA-N 244.298 2.164 0 40 BEAB NC(=S)c1c(F)cccc1Br 75851755 ULSHRLLLFSVWRL-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB CS/C=C/C(=O)OCc1scnc1C 79111838 FJINUXXAMICBIE-ONEGZZNKSA-N 229.326 2.371 0 40 BEAB Brc1cccc([C@@H]2CCN2)c1 84178947 RBMKGJLVXVPZFJ-VIFPVBQESA-N 212.090 2.484 0 40 BEAB in-vitro O=C(OCc1ccccc1)N1C[C@@H](F)[C@H](F)C1 85210724 NCRXQCGIQTUUJZ-GHMZBOCLSA-N 241.237 2.315 0 40 BEAB C[C@@H](O)c1cccc(C(=O)OC(C)(C)C)c1N 90624091 JKQYBLXDXZDELX-MRVPVSSYSA-N 237.299 2.277 0 40 BEAB CC(C)(C)OC(=O)NCC12CCC(CC1)CN2 91675917 BANHIFXZDWSSCA-UHFFFAOYSA-N 240.347 2.043 0 40 BEAB Cc1cc(I)cc(CO)c1 95628590 LHRKOCISEWRCTH-UHFFFAOYSA-N 248.063 2.092 0 40 BEAB O=C(O)[C@H]1CCc2cc(Cl)ccc2O1 95752075 UIVQVPBZOASIML-SECBINFHSA-N 212.632 2.118 0 40 BEAB COc1ccnc(NC(=O)Cc2cccs2)c1 95977077 QOYMIIHPVUJOHY-UHFFFAOYSA-N 248.307 2.333 0 40 BEAB OC[C@@H]1CCC[C@H]1Nc1nc2ccccc2[nH]1 95977452 WNWDHPOQAAXGTN-VHSXEESVSA-N 231.299 2.136 0 40 BEAB CCCc1cnc(NC(=O)c2ccon2)s1 96494104 APXAKJOAEFDLTC-UHFFFAOYSA-N 237.284 2.336 0 40 BEAB CCOc1cccc(C2=NO[C@](C)(C(=O)O)C2)c1 96525935 YMJBOSBWGRPSJH-ZDUSSCGKSA-N 249.266 2.053 0 40 BEAB CCC[C@H]1CC[C@H](C(CO)CO)CC1 100073997 YKAQAUWVYATRHU-PHIMTYICSA-N 200.322 2.194 0 40 BEAB COC1=C2C[C@H]3C[C@H]1C[C@@](C(=O)O)(C2)C3 101415794 KPLGXVURUPQIRX-RGNHYFCHSA-N 208.257 2.182 0 40 BEAB COC(=O)[C@@H](OCc1ccccc1)C(F)(F)F 196190696 YASINZQQUKRMSN-SECBINFHSA-N 248.200 2.307 0 40 BEAB CO[C@@H](Cc1ccc(C(C)C)cc1)C(=O)O 221632581 BWKWLVVFFXDYHZ-LBPRGKRZSA-N 222.284 2.452 0 40 BEAB OC1(Cc2cc(Cl)ccc2F)CCNCC1 231111890 BAHOTUDDTYAPQF-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CC(C)Oc1nccc(N)c1Br 238166101 XCMGHTHDJPPULN-UHFFFAOYSA-N 231.093 2.214 0 40 BEAB CC(C)CN1CCCNc2cccnc21 242538769 JFSBVRDHVNOHFM-UHFFFAOYSA-N 205.305 2.360 0 40 BEAB O=C1COc2c1ccc(F)c2Br 258329352 AMVXEZRGBPUUAB-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB Cn1ccc2ccn(CC3CCC3)c(=O)c21 269876535 POYLXRWLZGGHPA-UHFFFAOYSA-N 216.284 2.140 0 40 BEAB CCC1CCC(OCc2cc(=N)[nH]n2C)CC1 408715377 BCBRZZWACDRRHA-UHFFFAOYSA-N 237.347 2.318 0 40 BEAB O[C@@H](CN1OC2CCC1CC2)C1CCCCC1 640229698 CLFATUHIODHCBU-RUXDESIVSA-N 239.359 2.486 0 40 BEAB COc1cnc2ccc(C)cc2c1C(=O)O 685937732 YNENZHOPRZRBRA-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB Cc1cc(O[C@@H]2CCC[C@H]2F)nc(C)n1 1776008895 AXPBYVFKALQXSH-NXEZZACHSA-N 210.252 2.363 0 40 BEAB O=C1OCCc2c1n1c3c(cccc23)CCC1 486123 GBVHZJDVIOSLSG-UHFFFAOYSA-N 227.263 2.300 0 40 BEAB biogenic CCOc1ccc(NC(=O)[C@H]2CCCO2)cc1 1456898 KXMJDJCQVDISGH-GFCCVEGCSA-N 235.283 2.203 0 40 BEAB CN1CCCC[C@H]1[C@@](C)(O)c1ccccc1 1667117 LXDBGLKINLPWMY-KBPBESRZSA-N 219.328 2.378 0 40 BEAB Cc1csc(NC(=O)COc2ccccc2)n1 3562007 XQBQJYBOWRZKNG-UHFFFAOYSA-N 248.307 2.469 0 40 BEAB O=C1NC2(CCCC2)N=C1c1ccc(F)cc1 4890623 HYCTVWCVHAOSDW-UHFFFAOYSA-N 232.258 2.015 0 40 BEAB C[C@H](Sc1nc2ccccc2n1C)C(=O)O 5298039 RCBCENAMKXAULF-ZETCQYMHSA-N 236.296 2.139 0 40 BEAB COc1ccccc1OC(=O)c1cnc(C)cn1 7668420 ATIROSXMFIKJBK-UHFFFAOYSA-N 244.250 2.013 0 40 BEAB COC[C@@H](C)Oc1ccc(Cl)cc1N 8730366 CMQJNXATQBOQPG-SSDOTTSWSA-N 215.680 2.336 0 40 BEAB in-vitro CCCC[C@H](C(=O)O)N1Cc2ccccc2C1=O 28166997 GHQIXBHPQQGSOM-GFCCVEGCSA-N 247.294 2.286 0 40 BEAB O=C(Nc1cc(-c2ccccc2)n[nH]1)C1CC1 28304953 WCOPDGKBOGLQAS-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCCCC1 32751253 POVYHAGHFBTFEE-CQSZACIVSA-N 246.354 2.302 0 40 BEAB O=C(CCc1ccco1)NC1CCCC1 36140137 MBGKPQDVYLDZLG-UHFFFAOYSA-N 207.273 2.271 0 40 BEAB CCONC(=O)C1(c2ccc(Cl)cc2)CC1 36392584 LTOUOYXDMQESHB-UHFFFAOYSA-N 239.702 2.439 0 40 BEAB Nc1cnc2ccc(Br)cc2c1N 36813089 VSUQNFQMMYNTSK-UHFFFAOYSA-N 238.088 2.162 0 40 BEAB CC(C)(C)NC(=O)NCc1ccsc1 38586619 LLYZIXUOZWOYFP-UHFFFAOYSA-N 212.318 2.346 0 40 BEAB Cc1ncsc1C(=O)N1CCCC[C@@H]1C 40530011 YWRNHBFWWBSTNH-QMMMGPOBSA-N 224.329 2.466 0 40 BEAB CC(C)c1cc(Br)ncn1 40766576 KBZOFQYJNZBLEL-UHFFFAOYSA-N 201.067 2.363 0 40 BEAB in-vitro O=C(O)c1ccnc(SCC(F)(F)F)c1 41044165 XWUYLFRFETWQFS-UHFFFAOYSA-N 237.202 2.434 0 40 BEAB in-vitro C[C@@H]1C[C@@H](C)CN(C(=O)CC(F)(F)F)C1 44596470 KNHIFHPPHBRRKU-HTQZYQBOSA-N 223.238 2.443 0 40 BEAB CC[C@@H](C)NC(=O)Cc1ccccc1F 46463992 NTUYIRKVIRVWHP-SECBINFHSA-N 209.264 2.283 0 40 BEAB CC[C@@H]1NCCc2c1ccc(OC)c2OC 52095436 PSATYRLBOKIHIX-NSHDSACASA-N 221.300 2.301 0 40 BEAB CCc1noc(CN(C)C2CCCC2)n1 58283256 LCMXHVIDUKITRM-UHFFFAOYSA-N 209.293 2.006 0 40 BEAB Cc1ccc(OCCn2ccccc2=O)cc1 61111268 DRLBJOMUHMROSC-UHFFFAOYSA-N 229.279 2.236 0 40 BEAB COCCOc1ccc(C(=O)O)c(Cl)c1 61848552 GURLZSNSNPEKIL-UHFFFAOYSA-N 230.647 2.063 0 40 BEAB in-vitro NC1([C@H](O)c2ccccc2)CCCCC1 71509389 DRDMLNARBPKOEO-GFCCVEGCSA-N 205.301 2.382 0 40 BEAB O=C(O)c1cc(=O)oc2c(Cl)cccc12 72220913 JGQIYHAOSWLCQT-UHFFFAOYSA-N 224.599 2.145 0 40 BEAB Cc1cc([C@H](C)O)cnc1N1CCCC1 72222435 HFDWKCOTGHJYFK-JTQLQIEISA-N 206.289 2.044 0 40 BEAB CC(C)N1CCO[C@@H](c2cc3cccnc3[nH]2)C1 72381401 IYDIYSWPPOSSOL-CYBMUJFWSA-N 245.326 2.345 0 40 BEAB CONC(=O)CCc1ccc(-c2ccccc2)[nH]1 77664826 SKVFFPVSJVHTQK-UHFFFAOYSA-N 244.294 2.292 0 40 BEAB O=C(O)C1(c2ccc(F)cc2F)CCC1 80961554 QKVNQFZPTFMULW-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB CCOC(=O)/C=C\c1ccc(C=O)cc1 83291668 PTLYUOHNLZBHKB-FPLPWBNLSA-N 204.225 2.075 0 40 BEAB Cn1ccc([C@H](N)c2ccc(Cl)cc2)n1 83573181 OJQMHFMFJQMYGG-LLVKDONJSA-N 221.691 2.122 0 40 BEAB CCCC[S@@](=O)Cc1nc(C(C)(C)C)no1 86967015 KFLHMFGOAATJDS-INIZCTEOSA-N 244.360 2.416 0 40 BEAB Oc1ncc2ccc(-c3ccccc3)n2n1 91691613 FRBNBMUFXLIODE-UHFFFAOYSA-N 211.224 2.102 0 40 BEAB C[C@@](O)(c1ccc2c(c1)OCO2)C1CC1 95738997 WJYBNXLYSXQJNR-LBPRGKRZSA-N 206.241 2.033 0 40 BEAB CCCc1nnc(N[C@H]2C[C@H]3CC[C@@H]2O3)s1 96476102 GUDPVBZZVAGIPZ-VGMNWLOBSA-N 239.344 2.222 0 40 BEAB O=C(OCCF)c1ncccc1C(F)(F)F 97113055 WWARYFKPPIOSGE-UHFFFAOYSA-N 237.152 2.227 0 40 BEAB OC12C[C@@H]3C[C@@H](C1)CC(NCc1ccco1)(C3)C2 101575622 WAHOWIWAUNTOQN-HGWMRPEMSA-N 247.338 2.453 0 40 BEAB CCCC(=O)N[C@H]1[C@@H]2[C@@H]3C[C@H]4[C@H]5C[C@H]([C@@H]42)[C@]1(C)[C@H]53 102944175 PBKXDKBOHVPXKQ-QMYRJXFGSA-N 245.366 2.439 0 40 BEAB COCCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 128755836 WQKHKMBKOCINKG-NTZNESFSSA-N 211.349 2.437 0 40 BEAB CCCOC1=CC(=O)N(c2ccccc2)C1 217436803 NWEKYLPUPKDVCS-UHFFFAOYSA-N 217.268 2.344 0 40 BEAB CCOC(=O)[C@@H]1C[C@@H]1c1ccc(C)nc1 217646793 BOHGDLNSPYNXGS-GHMZBOCLSA-N 205.257 2.057 0 40 BEAB COc1ccc(C[C@@H](OC(C)C)C(=O)O)cc1 225103217 VVPIIVCFNBECEZ-GFCCVEGCSA-N 238.283 2.116 0 40 BEAB CN1C[C@@H](N)[C@@H](c2ccc(Cl)cc2Cl)C1 225606631 DCULMEWANYUGGF-MWLCHTKSSA-N 245.153 2.350 0 40 BEAB CCCNc1cc(Cl)c(C(=O)NC)cc1N 225729538 UMRGNJHZGQQGPB-UHFFFAOYSA-N 241.722 2.104 0 40 BEAB NC(=S)c1cc(F)c(Cl)cc1F 228970163 DSVAXBRQVHDPLP-UHFFFAOYSA-N 207.632 2.252 0 40 BEAB CCCn1cc(CNc2c(C)cnn2C)c(C)n1 256052853 OXQNESDDDZAYBW-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CCOCc1nn(CC)cc1Br 408716975 UFPNKXGCPMMUIT-UHFFFAOYSA-N 233.109 2.202 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cccc(N(C)C)c1 575358298 QMXZSYVXCDTXHT-UHFFFAOYSA-N 249.310 2.277 0 40 BEAB CCOC(=O)c1cc(Cl)cc(O)c1F 575701379 XPALSYQRHAWUNH-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB Cc1nc(NC(=O)OC(C)(C)C)ccc1N 2208913561 LDHQXHRGRCQLFD-UHFFFAOYSA-N 223.276 2.319 0 40 BEAB CCn1c(=O)oc2cc(Br)ccc21 278006 YKFKYPCSOUILHM-UHFFFAOYSA-N 242.072 2.377 0 40 BEAB Nc1nc(Nc2ccccc2)nc(C2CC2)n1 1440304 PZQQEPLWWLIGNU-UHFFFAOYSA-N 227.271 2.075 0 40 BEAB CCOC(=O)c1[nH]cc(Br)c1C 1593107 GKSXYQPYJABCHK-UHFFFAOYSA-N 232.077 2.262 0 40 BEAB C[C@H]1COCO[C@@H]1c1ccc2c(c1)OCO2 1599425 VSBPRBXTUAKKSY-UFBFGSQYSA-N 222.240 2.097 0 40 BEAB CC/C=C/CC(=O)NCc1ccc(O)c(OC)c1 1674043 FWHHYDSRVPGDCW-SNAWJCMRSA-N 249.310 2.373 0 40 BEAB Cn1nccc1CNc1ccc(F)cc1 2536388 DLBLTGRRXRGIPS-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB Cc1ccc(CNc2cnccn2)s1 3131388 ZFOOLLVSRWMKDL-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB O=C(O)Cc1csc(-c2ccsc2)n1 4218187 SRJPLNCSOGDLEC-UHFFFAOYSA-N 225.294 2.499 0 40 BEAB in-vitro O=C(O)c1ccc(OCCCN2CCCC2)cc1 8731482 BVSFMAIJJPORJC-UHFFFAOYSA-N 249.310 2.250 0 40 BEAB Cc1cc(C)cc(OCc2nnc(S)[nH]2)c1 8732768 JGKHJMDREMVNJV-UHFFFAOYSA-N 235.312 2.289 0 40 BEAB Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 11847736 CRKLDMOPXVDJLX-UHFFFAOYSA-N 228.251 2.065 0 40 BEAB in-vitro C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 12978820 IOQQRVCYVKASMZ-BXUZGUMPSA-N 245.322 2.249 0 40 BEAB O=c1[nH]nc(O)c2cc(-c3ccccc3)ccc12 16768277 TVTNMAQLAFJQOV-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB Cc1ccc(-c2cc(O)n3nc(C)nc3n2)cc1 18222789 VVVDABHPUZUZDZ-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB C[C@H](NC(=O)CC1CCNCC1)c1ccccc1 19471632 IHNMADIQRUHWJA-LBPRGKRZSA-N 246.354 2.254 0 40 BEAB c1ccc(OCCOC[C@@H]2CCCNC2)cc1 19472839 MLHRLAVHOYKAPP-CYBMUJFWSA-N 235.327 2.082 0 40 BEAB CC[C@H](C)[C@@H](N)C(=O)Nc1ccccc1C 19512446 WLLALGBZTDZJBW-JOYOIKCWSA-N 220.316 2.307 0 40 BEAB in-vitro Fc1cccc(-n2ncc3c(S)ncnc32)c1 19723928 CLLJXNYHYIEGSP-UHFFFAOYSA-N 246.270 2.243 0 40 BEAB CN(Cc1ccccc1)c1cc(C(=O)O)ccn1 19844899 VRSQKAXGYDIOFP-UHFFFAOYSA-N 242.278 2.416 0 40 BEAB Clc1ncc(CN2CCSCC2)s1 20405785 VQKQGZVLXBCNED-UHFFFAOYSA-N 234.777 2.345 0 40 BEAB CC1CCC(NC(=O)c2ccccn2)CC1 21876502 YIACAZSCPGHFHM-UHFFFAOYSA-N 218.300 2.390 0 40 BEAB NCCCOc1cccc(CN2CCCCC2)c1 21992745 VQSXCZMVUMSITD-UHFFFAOYSA-N 248.370 2.400 0 40 BEAB in-vitro CC[C@H](C)NC(=O)c1cc(F)ccc1F 28210739 ZATNQOISPIKPOC-ZETCQYMHSA-N 213.227 2.493 0 40 BEAB NCCOCc1c(Cl)cccc1Cl 28522052 VDHGFBAGQBPUIQ-UHFFFAOYSA-N 220.099 2.469 0 40 BEAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)O1 32668109 LLKJAIKKDGIIJW-RYUDHWBXSA-N 205.301 2.296 0 40 BEAB CC[C@H](N)[C@@H](O)c1ccc(C(F)(F)F)cc1 36779490 DBHGTVSFCLFFJL-UWVGGRQHSA-N 233.233 2.476 0 40 BEAB in-vitro CCOc1cccc(CN[C@@H]2CCC[C@H]2O)c1 37690271 FSBDQZLIVYFOAR-ZIAGYGMSSA-N 235.327 2.088 0 40 BEAB CC(C)=CCN1CCN(Cc2cc(C)no2)CC1 40475954 CTLHFXGYMNCDSN-UHFFFAOYSA-N 249.358 2.067 0 40 BEAB O=C(c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 41194610 CVTYJDOOFJNMQB-ZIAGYGMSSA-N 245.322 2.470 0 40 BEAB CC(C)(C)CNC[C@H](O)c1ccccc1 42356634 LKMYWXYQLBMNTP-LBPRGKRZSA-N 207.317 2.356 0 40 BEAB in-vitro CCONC(=O)[C@H](CC)c1ccccc1 44896885 UBHPYGXIWXDHOK-LLVKDONJSA-N 207.273 2.248 0 40 BEAB CCS(=O)(=O)Oc1ccc(Cl)cc1 45929169 IVPJXBGGUWNQBI-UHFFFAOYSA-N 220.677 2.069 0 40 BEAB Nc1cc(CC2CC2)nn1-c1ccccc1 49730857 LEEVXELHSQOZSN-UHFFFAOYSA-N 213.284 2.407 0 40 BEAB in-vitro CCOC(=O)[C@H](C)Oc1cccc(OC)c1 49851662 HZWBLFWDSWTRPC-VIFPVBQESA-N 224.256 2.026 0 40 BEAB CNCc1cc(-c2ccc(Cl)cc2)n[nH]1 50478929 UTXXGASQCLERGG-UHFFFAOYSA-N 221.691 2.450 0 40 BEAB OCc1cn(-c2cccc(Cl)c2Cl)nn1 52221346 XECGMHCWQZHPNZ-UHFFFAOYSA-N 244.081 2.066 0 40 BEAB in-vitro CN(C)[C@@H](CN)c1csc2ccccc12 54463952 UPJVLQXKNROPIO-NSHDSACASA-N 220.341 2.463 0 40 BEAB C=CC(=O)N1CCCc2ccccc2C1 62945028 XRBBTYFVOGTVMT-UHFFFAOYSA-N 201.269 2.147 0 40 BEAB CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 69181655 BOTHIUZXNHVIOG-KMPJEGIHSA-N 205.257 2.162 0 40 BEAB OCc1c(Cl)ncn1-c1ccc(F)cc1 69949498 PEQTYOAKPFIDAA-UHFFFAOYSA-N 226.638 2.157 0 40 BEAB CC1(C)[C@@]2(CC(=O)O)CC[C@]1(C)C(=O)C2 72207009 OOKLLGFRJXQVEU-NEPJUHHUSA-N 210.273 2.247 0 40 BEAB CC(C)N1CCC[C@H]1c1cccnc1O 72212306 JSIOOQLHXJQQKO-NSHDSACASA-N 206.289 2.333 0 40 BEAB COc1ccc([C@@H]2CCCN2C(C)=O)c(C)n1 72218069 XKVKQDYQQFUSLB-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB CCc1c(-c2ccc(F)cc2)n[nH]c1C(=O)O 72220432 NSGVXPWWUBQECJ-UHFFFAOYSA-N 234.230 2.476 0 40 BEAB O=C(O)C1(c2cc(-c3ccccc3)on2)CC1 72220586 BLXNWPUGIMDNOC-UHFFFAOYSA-N 229.235 2.458 0 40 BEAB O=C(O)c1nc(-c2cccc(F)c2)ns1 74013488 ALLZDCFFRCYAAA-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB CC[C@@H](C)CN(C)c1ccnc(N(C)C)n1 77219674 KICZLQXVQSRTAR-SNVBAGLBSA-N 222.336 2.025 0 40 BEAB CCNC(=O)NCc1ccc(OCC)c(C)c1 78984374 WUGFVRVUUDNOJU-UHFFFAOYSA-N 236.315 2.213 0 40 BEAB COc1ccccc1NCC(C)(C)C(=O)O 82551796 WPHXFQDHYCNJPN-UHFFFAOYSA-N 223.272 2.218 0 40 BEAB CCc1ncnc(Cl)c1Br 85451193 UFRPTUDBOLHMNH-UHFFFAOYSA-N 221.485 2.455 0 40 BEAB FC(F)(F)c1ccnc(-n2cccn2)c1 90805191 XPICITLRGSMKIH-UHFFFAOYSA-N 213.162 2.286 0 40 BEAB Nc1c(Cl)cnnc1-c1ccccc1 91366411 KURJRWSRPRJBOV-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB COC[C@H](C)SCCC(=O)N1CCCCC1 96005549 RDZVKSYAVDMYDC-NSHDSACASA-N 245.388 2.157 0 40 BEAB O=C(NC1CC=CC1)NC1Cc2ccccc2C1 97140334 SZZYYZKTHOSJML-UHFFFAOYSA-N 242.322 2.172 0 40 BEAB O=C1CCC(=O)C1C(=O)c1cccc(Cl)c1 100675867 OBBUPDZVPNSCHP-UHFFFAOYSA-N 236.654 2.071 0 40 BEAB CC1=C(C)[C@@]2(C)[C@]3(C)C(=O)N[C@]1(C)[C@]32C 101036022 DAMHKCOHRUYAPL-CYDGBPFRSA-N 205.301 2.257 0 40 BEAB C[C@H]1O[C@@H](CCN)C[C@@H]1Cc1ccccc1 225750377 SKEWEKXQTREGSI-XBFCOCLRSA-N 219.328 2.372 0 40 BEAB CC[C@H](C)[C@H](C)NC[C@H]1CCCN1CC 238857069 XZUSPJIKFBSHMU-RWMBFGLXSA-N 212.381 2.495 0 40 BEAB CCCCC(=O)N[C@@H]1CSC1(C)C 336660418 UOFODQXGXXZUKV-MRVPVSSYSA-N 201.335 2.187 0 40 BEAB O=C(NC1CCC(F)(F)CC1)C1CCC1 341522850 JBOZLTASSAHLID-UHFFFAOYSA-N 217.259 2.481 0 40 BEAB Cc1cccc(OCc2cncs2)n1 585655145 UURALYQCPVZGHV-UHFFFAOYSA-N 206.270 2.426 0 40 BEAB Cc1ccc(OC[C@@]2(O)CCN(C(C)C)C2)cc1 1615192267 NNQDJZZPNZPFFH-OAHLLOKOSA-N 249.354 2.219 0 40 BEAB O=C(NCc1c(F)cccc1F)c1ccco1 1888930310 WIPBWLNZTCKCPQ-UHFFFAOYSA-N 237.205 2.488 0 40 BEAB O=C(CSc1ncccn1)c1ccccc1 123324 GHFPOZONKDONET-UHFFFAOYSA-N 230.292 2.452 0 40 BEAB COc1ccccc1CNc1cncnc1 360815 UASXIULUTAWFGB-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB CCC[C@@]1(C)NCCO[C@]1(O)c1ccccc1 1622225 OUPZQTOWDCRSCT-ZIAGYGMSSA-N 235.327 2.010 0 40 BEAB CCOC(=O)CSc1ccc(F)cc1 1704959 PYQLHKPECXGPEV-UHFFFAOYSA-N 214.261 2.481 0 40 BEAB CC[C@@H](C)NCCOC(=O)c1ccccc1 1710399 NRZGGCJHXOTBPP-LLVKDONJSA-N 221.300 2.232 0 40 BEAB Cc1cc(C)n2nc(C)c(Br)c2n1 3197892 NASYPSXAHKIZFK-UHFFFAOYSA-N 240.104 2.417 0 40 BEAB COc1cccc(C(=O)N2CCCCC2)c1 4808213 SQCVKBOEYSXZLP-UHFFFAOYSA-N 219.284 2.321 0 40 BEAB CCN(CC)C(=O)c1ccc(F)cc1F 4810960 GCKOFNYCLGWGCO-UHFFFAOYSA-N 213.227 2.447 0 40 BEAB COCCSc1nnc(-c2ccccc2)n1C 4966488 YCSNALBPRNTVPZ-UHFFFAOYSA-N 249.339 2.221 0 40 BEAB C[C@H]1c2ccccc2N=C2SCC(=O)N21 6200028 WPILWRTVLUXVTG-ZETCQYMHSA-N 218.281 2.324 0 40 BEAB COc1ccc2c(c1)[C@H](O)CC(C)(C)O2 11568127 OGDIMNNYYGBSQY-SNVBAGLBSA-N 208.257 2.290 0 40 BEAB endogenous,in-man CCCC/C=C/[C@@H](C(=O)OC)[C@H](C)C(=O)O 14438775 PYXTXZWCWQONTK-ACMYFRETSA-N 228.288 2.243 0 40 BEAB CCc1ccccc1OC1CCNCC1 14631904 BIDUOEGRRWMBTQ-UHFFFAOYSA-N 205.301 2.380 0 40 BEAB Cc1ccc2c(CN(C)C)cc(=O)oc2c1 16477484 WHWVTYKPYYJXEK-UHFFFAOYSA-N 217.268 2.163 0 40 BEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1Cl 18192527 HGECWXPAUPEQBT-UHFFFAOYSA-N 200.669 2.029 0 40 BEAB Cc1nc(-c2c(C)noc2C)sc1C(=O)O 19763556 YHOOWXFFWCUOMU-UHFFFAOYSA-N 238.268 2.422 0 40 BEAB CCc1ccc2nc(N3CCNCC3)sc2c1 19946379 QHNURWMMESXAQD-UHFFFAOYSA-N 247.367 2.268 0 40 BEAB Cn1cc(NCc2cccc(F)c2)cn1 20350264 FMGCXWYYNMCMCD-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB Cc1ccc(C(=O)NCCc2ccccn2)s1 22507742 PXPBLUJFRWRFNY-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB Cc1oc(C)c(C(=O)NCC2CC2)c1C 26207704 MATMZOFVEKYXQE-UHFFFAOYSA-N 207.273 2.345 0 40 BEAB CN1CCC(N(C)C(=O)C2CCCCC2)CC1 33019500 YSLFQCTUJWEXIB-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB O=C(O)c1cc(Cl)cc(Cl)c1C(=O)O 34291298 WBICPKUOCCNWQP-UHFFFAOYSA-N 235.022 2.390 0 40 BEAB COC(=O)[C@H](N)c1ccc(C(C)(C)C)cc1 34743181 AUTFVNPUUPHELI-LLVKDONJSA-N 221.300 2.157 0 40 BEAB Brc1ccc([C@@H]2CNCCO2)s1 38002248 ITEVHYHKVJMLFI-LURJTMIESA-N 248.145 2.172 0 40 BEAB CC(C)N(CC(=O)NC1CC1)Cc1ccccc1 40473311 HZSDXPAATVLXSA-UHFFFAOYSA-N 246.354 2.176 0 40 BEAB Cc1ncsc1C(=O)N1CCC(C)CC1 40529038 YMTFMFKSFCSAJP-UHFFFAOYSA-N 224.329 2.324 0 40 BEAB Cc1ccc(Sc2nc(C)n[nH]2)c(N)c1 41062481 PHWHLQUDQAWTAS-UHFFFAOYSA-N 220.301 2.155 0 40 BEAB CC(C)=CC(=O)NCCCN1CCCCCC1 41950988 XIEXWMMOSIGKON-UHFFFAOYSA-N 238.375 2.335 0 40 BEAB COC[C@@H](C)NCc1cc(C)ccc1C 42209276 RUJGTBFRADPMPE-GFCCVEGCSA-N 207.317 2.428 0 40 BEAB O=C(CCc1ccccc1)NCC1CC1 43752276 BAPRQQJKPWHXAE-UHFFFAOYSA-N 203.285 2.145 0 40 BEAB O[C@@H]1C(Br)=C[C@H]2CC[C@@H]1C2 43761784 DPZZTZLILXNWSC-BBVRLYRLSA-N 203.079 2.056 0 40 BEAB CC(C)(C)c1n[nH]cc1CNCc1cccnc1 48707787 MQGKHEXRKFCFLO-UHFFFAOYSA-N 244.342 2.392 0 40 BEAB CC(C)c1nc(CN2CCO[C@@H](C)C2)cs1 51160482 RQYFAQXXTIAADF-JTQLQIEISA-N 240.372 2.487 0 40 BEAB CNC[C@@H]1C[C@H]1c1cccc(OC)c1OC 54588720 VGQQRYRFCGMFFP-GXSJLCMTSA-N 221.300 2.027 0 40 BEAB COc1ccc(OC)c([C@@H](CN)OC(C)C)c1 62711761 SJSCPCODLNQNHM-CYBMUJFWSA-N 239.315 2.129 0 40 BEAB O=C1OCC[C@H]1N1CCC2(CCCCC2)CC1 65592189 CFKMCRNPZYKYSV-GFCCVEGCSA-N 237.343 2.348 0 40 BEAB O=CN1CCCC[C@@H]1c1ccc(Cl)nc1 72211476 WFPVBKKOCVVOTQ-SNVBAGLBSA-N 224.691 2.418 0 40 BEAB C=Cc1cnc(N2CCN(CC)CC2)cc1C 72223639 JXYJTHMOEAJEOI-UHFFFAOYSA-N 231.343 2.175 0 40 BEAB COC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C 73193848 JSLIOTYZZRXGLQ-YUMQZZPRSA-N 206.241 2.358 0 40 BEAB CCOc1cc(CNC(=O)C2CC2)ccc1OC 74628580 BQHMBLPPOAHZTR-UHFFFAOYSA-N 249.310 2.120 0 40 BEAB CC[C@H]1C[C@@H](C)CN1CCC(=O)NC(C)(C)C 75022784 ZVVZCTWQPFCRHR-NEPJUHHUSA-N 240.391 2.412 0 40 BEAB CCOC(=O)CC(=O)c1ccc(OC)cc1C 76819005 QXTOEKOVRLHXRP-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB Cc1cccc([C@H](C(=O)O)C2CCNCC2)c1 82343106 LULPKPULQZGVGZ-CYBMUJFWSA-N 233.311 2.163 0 40 BEAB NNCc1ccc2c(c1)Cc1ccccc1-2 85344490 ULKRTKJNHILRFT-UHFFFAOYSA-N 210.280 2.221 0 40 BEAB CC1CC(CN)([C@@H](O)c2ccc(F)cc2)C1 85395996 SNDARHVLHCJIOP-YHECAPGISA-N 223.291 2.234 0 40 BEAB Cc1cc(C(N)=O)cc(C(F)(F)F)c1F 91252360 DBFJVYYVOCZDBU-UHFFFAOYSA-N 221.153 2.252 0 40 BEAB CCN(CC)CCN[C@H]1CCCc2cccnc21 91660144 VVOQWADJCDSDAV-AWEZNQCLSA-N 247.386 2.390 0 40 BEAB C[C@H](C[C@@H](O)c1ccco1)NCc1ccncc1 95448828 MGKAQXSFFUXOMM-DGCLKSJQSA-N 246.310 2.276 0 40 BEAB Cc1cc(CS[C@@H]2CCO[C@H]2C)no1 95974155 PUQZKTBAOXMEBJ-WCBMZHEXSA-N 213.302 2.394 0 40 BEAB CCO[C@@H](C)c1nccn1Cc1nccs1 95977992 SYGZLUUGXSBBEO-VIFPVBQESA-N 237.328 2.485 0 40 BEAB CO/C=C(\F)C(=O)Nc1cccc(C)c1 98175025 PNOVXKXOWHSWGR-YFHOEESVSA-N 209.220 2.391 0 40 BEAB CCN(CC)CCN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 101158774 CICDOJLASYRIJX-AJNGGQMLSA-N 234.387 2.082 0 40 BEAB Cc1ccc(NCc2nncn2C)cc1Cl 129813709 AOWHADTYOYQLRE-UHFFFAOYSA-N 236.706 2.389 0 40 BEAB COCCCN(C)C(=O)N1CCCCC[C@H]1C 195576866 WIWRHXVTARSHTK-GFCCVEGCSA-N 242.363 2.339 0 40 BEAB COC(=O)[C@@H]1Nc2ccc(F)cc2C1(C)C 218697382 WPJUFAMIBGVIQW-JTQLQIEISA-N 223.247 2.070 0 40 BEAB CCO[C@H](Cc1cccc(Cl)c1)C(=O)O 220528180 LBNIRWNEQPMYGX-SNVBAGLBSA-N 228.675 2.372 0 40 BEAB Cc1cnn(C)c1CNCCc1ccccc1 256053299 QXEGRWNDRRFTPV-UHFFFAOYSA-N 229.327 2.061 0 40 BEAB Cc1cc(C(F)(F)F)nc2[nH]ncc12 307120099 HUPSNBDMRUQNKT-UHFFFAOYSA-N 201.151 2.285 0 40 BEAB CC[C@H](C)n1ncc(Cl)c1C(=O)OC 408716818 RIPWFCUAXDUTSW-LURJTMIESA-N 216.668 2.294 0 40 BEAB c1cnn(CCN2CCC(=C3CC3)CC2)c1 585380512 VRNKUFRVIPZMMS-UHFFFAOYSA-N 217.316 2.069 0 40 BEAB CCC(CC)C(=O)NC[C@@H](CCSC)OC 1775967777 CSPRGEJUFYRWFT-LLVKDONJSA-N 247.404 2.307 0 40 BEAB c1c2c(cc3[nH]c(C4CC4)nc13)OCCO2 31943902 CZSGISLVEVTYHM-UHFFFAOYSA-N 216.240 2.212 0 40 BEAB COC(=O)c1cc(C)cc(NC(C)=O)c1C 1712149 DZDFVLRZEXSCEY-UHFFFAOYSA-N 221.256 2.048 0 40 BEAB CC(=O)c1c[nH]c(C(=O)NC(C2CC2)C2CC2)c1 29383778 WCLYQRCMGQYEFK-UHFFFAOYSA-N 246.310 2.136 0 40 BEAB CCCNC(=O)[C@@H](C)Sc1nc(C)cs1 32776062 MTZRIKXGTWZRDQ-MRVPVSSYSA-N 244.385 2.458 0 40 BEAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCO1 483428 WQLUHPVQWCBGFK-SNVBAGLBSA-N 227.210 2.082 0 40 BEAB CC(C)(CO)Oc1ccc(Cl)cc1 41210478 WQAGJZPXZKSOSF-UHFFFAOYSA-N 200.665 2.490 0 40 BEAB CCn1nccc1NC(=O)c1ccccc1OC 12062585 AZEVNZHIZHDCLO-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB CC1=Nn2c(nnc2-c2ccccc2F)SC1 531691 BDZAOWWEWXANFN-UHFFFAOYSA-N 248.286 2.414 0 40 BEAB N[C@@H](CCc1c(Cl)cccc1Cl)C(=O)O 57956390 ZUJMOCTVPCVSRM-VIFPVBQESA-N 248.109 2.338 0 40 BEAB CN(c1ccccc1)c1ccc(CN)cn1 22145359 XULMOBOQMHFIOK-UHFFFAOYSA-N 213.284 2.308 0 40 BEAB CC(C)n1nccc1NC(=O)c1ccoc1 22290683 LBFFKIWVOYWBEO-UHFFFAOYSA-N 219.244 2.309 0 40 BEAB C[C@H]1COCCN1Cc1cccc(F)c1F 46775264 MVOVGZLYJTYBHQ-VIFPVBQESA-N 227.254 2.186 0 40 BEAB CN1[C@H]2CC[C@@H]1C[C@@H](SC(=O)S)C2 100159045 JHJDYZOSHFQHMT-RNLVFQAGSA-N 217.359 2.395 0 40 BEAB COc1ccccc1[C@@H]1CCCN1CCC(=O)O 12398682 CGNFZRZOWHPQRO-LBPRGKRZSA-N 249.310 2.307 0 40 BEAB Brc1ccccc1[C@H]1CNCCO1 37405045 DYZGCDVZBPGIJL-SNVBAGLBSA-N 242.116 2.110 0 40 BEAB in-vitro CCCC[C@H](CC)C(=O)N[C@@H](C)CC(=O)O 37457877 SGJOUOAHSOFHTD-UWVGGRQHSA-N 229.320 2.182 0 40 BEAB COc1ccc(-n2cccc2)cc1OC 1399782 ASUZZDGBNHWAMT-UHFFFAOYSA-N 203.241 2.495 0 40 BEAB Cn1cc(C=O)c(-c2c(F)cccc2F)n1 34961711 ABGFNPXOTAOKIM-UHFFFAOYSA-N 222.194 2.178 0 40 BEAB O=C1N[C@H](c2ccc(F)cc2)Nc2ncccc21 58157428 SLVRATHNMYUXME-LLVKDONJSA-N 243.241 2.075 0 40 BEAB CCOc1ccccc1CCC(=O)N(C)C 58291403 XVHYCOYHIHUXDW-UHFFFAOYSA-N 221.300 2.106 0 40 BEAB O[C@H](Cc1ccccc1)CN1CCCCC1 27987686 SMQUSTNLDMFVRG-CQSZACIVSA-N 219.328 2.076 0 40 BEAB C[C@H]1CCCCN1CC(=O)NCc1ccccc1 12945685 WBVDFNHPWQAQRG-ZDUSSCGKSA-N 246.354 2.177 0 40 BEAB COc1ccc2nc(O)c(CNC(C)C)cc2c1 3985034 QJPKYPMWWGAWCH-UHFFFAOYSA-N 246.310 2.447 0 40 BEAB biogenic O=C(C[C@@H]1CCCN1)c1ccc(F)cc1 82164124 WKHFPFSWNGZMIV-NSHDSACASA-N 207.248 2.151 0 40 BEAB in-vitro CC(C)[C@H](N[C@H](C)CC(N)=O)c1cccs1 13985880 UXYWRECTIXXIAQ-SKDRFNHKSA-N 240.372 2.299 0 40 BEAB CCOC(=O)C12CCC(CF)(CC1)C2 306145669 MWWATEVNNUJPFW-UHFFFAOYSA-N 200.253 2.470 0 40 BEAB CC[C@@H]1CCCCN1c1ncnc2c1cnn2C 14140785 QZVFMRIEWXZPHP-SNVBAGLBSA-N 245.330 2.132 0 40 BEAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCO1 5467015 BALJFIJZWAYPQU-NEPJUHHUSA-N 227.348 2.498 0 40 BEAB Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2N=O 4673446 FLFNKEWNZOUJJU-KWQFWETISA-N 206.245 2.308 0 40 BEAB CCCCCNC(=O)c1cnc(C)nc1C 19937105 MTQOSOXXHKFANJ-UHFFFAOYSA-N 221.304 2.013 0 40 BEAB O=C(NCCC1CCCC1)NCC(F)(F)F 97150764 QJQDKFWKKAIIAH-UHFFFAOYSA-N 238.253 2.428 0 40 BEAB C[C@@H](O)CCNc1nc2ccccc2s1 78727647 CNEJYLJMTQRUQI-MRVPVSSYSA-N 222.313 2.479 0 40 BEAB Cc1ccc(CN(C)Cc2nnc[nH]2)c(C)c1 179794569 OVAHFZZKESYKTM-UHFFFAOYSA-N 230.315 2.054 0 40 BEAB CSc1nc(C)cc(N2N=C(C)C[C@@H]2C)n1 524734593 SYERFMSJGIIWQS-VIFPVBQESA-N 236.344 2.481 0 40 BEAB CCC[C@H](C)[C@@](CC)(C(=O)O)C(=O)OCC 71621739 ICUDBEZIRXXJAE-CABZTGNLSA-N 230.304 2.467 0 40 BEAB O=C(O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@H]21 536948757 QCHGODCFACBXAX-OPRDCNLKSA-N 208.644 2.310 0 40 BEAB Cc1cccc([C@H]2CCCN2CCN)c1 32553277 XNAJNSLEVJKKIS-CYBMUJFWSA-N 204.317 2.091 0 40 BEAB c1cnc2c(C[C@H]3CCNC3)cccc2c1 70627839 DGKSINURLRRTQL-LLVKDONJSA-N 212.296 2.387 0 40 BEAB CC(C)CCOc1ccccc1[C@@H](O)CN 72220127 ROWQZOXBSBHRFP-LBPRGKRZSA-N 223.316 2.104 0 40 BEAB CCOC(=O)c1cc(F)cc(Cl)c1O 44201068 QDXOXTMDBDNANC-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB NCCCc1ccc(OC(F)F)cc1 43559350 LLEXGVGLMIINND-UHFFFAOYSA-N 201.216 2.179 0 40 BEAB Cc1ccccc1NC(=O)[C@@H]1CCCN(C)C1 82320751 LXAXRHOIOFKQQS-GFCCVEGCSA-N 232.327 2.275 0 40 BEAB CCc1c(N)nc(-c2cccnc2)nc1Cl 226100139 AILNSEOJNNIQEZ-UHFFFAOYSA-N 234.690 2.337 0 40 BEAB NCc1ccc2c(C(F)(F)F)cc(=O)oc2c1 199565078 XYGPDOODYIDKIM-UHFFFAOYSA-N 243.184 2.271 0 40 BEAB Cc1csc(SC2CCNCC2)n1 43501256 GHRFWTZTINVLNH-UHFFFAOYSA-N 214.359 2.296 0 40 BEAB CCCOc1ccc(NC(=O)C(F)(F)F)cn1 225878407 YSSTUTLDPPLEJA-UHFFFAOYSA-N 248.204 2.371 0 40 BEAB COC(=O)c1ccc(Oc2cccnc2)c(N)c1 40449044 QBLMEVYGRSPPMP-UHFFFAOYSA-N 244.250 2.243 0 40 BEAB Cc1ccc(OC[C@@H]2CCNC2)cc1C 42772838 PQUSDUYMXLRDIG-GFCCVEGCSA-N 205.301 2.292 0 40 BEAB CSCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 225436422 LNUZTWXUQAVNPT-LPEHRKFASA-N 214.330 2.329 0 40 BEAB COC(=O)CCCCC(=O)c1nccs1 95739481 JZFYVDBMBSWNQI-UHFFFAOYSA-N 227.285 2.059 0 40 BEAB Nc1ccn(CCC(F)(F)C(F)(F)F)n1 96509091 FLMFYRBKCKWZJG-UHFFFAOYSA-N 229.152 2.053 0 40 BEAB O[C@H](c1cnc2c(c1)CCCC2)C1CC1 242701408 WDDQESYAWGBJAS-ZDUSSCGKSA-N 203.285 2.404 0 40 BEAB CCOc1ncc(Br)cc1C(C)=O 252484292 FTVHRTOUTWJEJX-UHFFFAOYSA-N 244.088 2.445 0 40 BEAB CCOC(=O)c1cnc2cc(C)[nH]c2c1 575440885 UDVXBICTFGPKGY-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB OCCCN1CCC[C@@H]1Cc1ccccc1 55505105 ZJRCZWCSMZUEAH-CQSZACIVSA-N 219.328 2.076 0 40 BEAB Cc1noc(C)c1CSC[C@@H](C)CO 85139465 JMDHKUZILUTKGV-ZETCQYMHSA-N 215.318 2.153 0 40 BEAB Cc1ncn(C[C@H]2CC(C)(C)CO2)c1C 631011809 DVDXATJHWUJHSN-LLVKDONJSA-N 208.305 2.315 0 40 BEAB C[C@@H](c1nc(C2CC2)no1)N1CCCCC1 71186377 XTHQGXQCNMQSIJ-VIFPVBQESA-N 221.304 2.494 0 40 BEAB O=Cc1ccccc1C(=O)c1ccco1 19873001 ZJTMVYUUJQISBJ-UHFFFAOYSA-N 200.193 2.323 0 40 BEAB COc1cc(O)c2c(c1Cl)C[C@H](C)OC2=O 13459826 WLUQQWRUOSZKGN-YFKPBYRVSA-N 242.658 2.156 0 40 BEAB biogenic,in-vitro CC[C@H](C)NC(=O)NCc1ccc(F)cc1 137462 YFITXJHPFXVUIO-VIFPVBQESA-N 224.279 2.423 0 40 BEAB CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCC2 40460946 CYBVLQJEPLYOKG-UHFFFAOYSA-N 245.322 2.226 0 40 BEAB CO[C@@H]1C[C@H]2c3ccccc3[C@@H]1C(C)=[N+]2C 1564608 IUNKJZBVWKZYJV-MJBXVCDLSA-N 216.304 2.347 0 40 BEAB COc1cc([C@@H](C)SCC(=O)O)ccc1O 1594207 VYUXYRNDAZKAPL-SSDOTTSWSA-N 242.296 2.280 0 40 BEAB O=C(O)CCC(=O)OC/C=C/c1ccccc1 3095554 BPDHTMWHCGONPX-QPJJXVBHSA-N 234.251 2.108 0 40 BEAB Nc1ccccc1C(=O)Nc1ccc(O)cc1 3141244 KERVZQAGKXJJIF-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB CO[C@H](CN)c1cccc(C(F)(F)F)c1 3634181 FTABFGUDULLKPD-SECBINFHSA-N 219.206 2.352 0 40 BEAB O=C(COc1ccc(F)cc1)N1CCCCC1 4217917 HNYNWPMFNSXBBE-UHFFFAOYSA-N 237.274 2.217 0 40 BEAB O=Cc1ccc(-c2ccc(C(=O)O)o2)cc1 6472130 GFSJSDMWCMSHIY-UHFFFAOYSA-N 216.192 2.457 0 40 BEAB COc1ccccc1Nc1ncc(C=O)cn1 8702906 AFWBIBIDEZYDFK-UHFFFAOYSA-N 229.239 2.041 0 40 BEAB O=C(C[C@@H](O)c1ccccc1)Nc1ccccn1 13283117 CXQOXYNGWDMOGB-GFCCVEGCSA-N 242.278 2.144 0 40 BEAB Cn1ccc(NC(=O)CCCc2cccs2)n1 14899532 MCIGBCORVZNXBO-UHFFFAOYSA-N 249.339 2.443 0 40 BEAB CCCCO[C@H]1OCCO[C@H]1OCCCC 17299139 UYPCMUPTDVQWQA-TXEJJXNPSA-N 232.320 2.319 0 40 BEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccccc1 17975708 KQVNCFJZEZPYOS-CHWSQXEVSA-N 241.290 2.138 0 40 BEAB CC(=O)Nc1ccc(CSc2ncn[nH]2)cc1 20611315 ZTFNXHXTZACNDA-UHFFFAOYSA-N 248.311 2.055 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCCC[C@@H]1C 22123467 CTPRENUGVAXXEO-JQWIXIFHSA-N 213.321 2.203 0 40 BEAB C[C@@H](N)COc1ccccc1C(F)(F)F 23068681 XRNYDNYFMQCOJD-SSDOTTSWSA-N 219.206 2.431 0 40 BEAB in-vitro O=Cc1c(OCC(=O)O)ccc2ccccc12 26506129 KPXVRLWYIOYSPZ-UHFFFAOYSA-N 230.219 2.116 0 40 BEAB in-vitro c1cc2c3c(ccc4c3c1OCO4)OCO2 34452638 MSYFENLTVMXQCH-UHFFFAOYSA-N 216.192 2.297 0 40 BEAB CC(=O)OCC(=O)c1ccc(C)c(C)c1 34925438 BCTORPVQMFXLBK-UHFFFAOYSA-N 206.241 2.049 0 40 BEAB Cc1ccccc1SCC(=O)Nc1cn[nH]c1 35237365 CYFXWJQIJFOOSO-UHFFFAOYSA-N 247.323 2.449 0 40 BEAB O=C(O)CNCc1ccc(-c2ccc(F)cc2)o1 35287214 XUVZDTOYOJFORO-UHFFFAOYSA-N 249.241 2.260 0 40 BEAB Cc1ccc(C)c([C@](C)(C(=O)O)N(C)C)c1 37357723 XDJUELIVGQZGMP-CYBMUJFWSA-N 221.300 2.165 0 40 BEAB Cc1ccccc1[C@H]1CCCN1C(=O)CCN 37817317 UPDMFHUZZGRWLA-CYBMUJFWSA-N 232.327 2.007 0 40 BEAB O[C@@H](CNc1ncccn1)c1ccc(Cl)cc1 40496335 HIFUQMQZLDHTMA-NSHDSACASA-N 249.701 2.276 0 40 BEAB C[C@H]1C[C@@H]1C(=O)OCc1nc2ccccc2[nH]1 42369214 RJLWBZXNVWPMOW-IUCAKERBSA-N 230.267 2.262 0 40 BEAB Cc1nc2ccccc2n1CC1CCNCC1 43497784 DAIPDQVHELDJIC-UHFFFAOYSA-N 229.327 2.344 0 40 BEAB Cc1ccc(C(=O)Nc2cc(C(C)C)n[nH]2)cn1 49044152 PCDNVIYXESRIQF-UHFFFAOYSA-N 244.298 2.489 0 40 BEAB O=C(Nc1ncccc1O)[C@H]1C[C@H]1c1ccco1 49398361 FLKUXOREDIJGHN-BDAKNGLRSA-N 244.250 2.122 0 40 BEAB CCCCNC(=O)NCCc1cccc(O)c1 58166895 XPGCUINNJXDEKY-UHFFFAOYSA-N 236.315 2.034 0 40 BEAB CN(C)c1ccc(C(=O)NCC(F)(F)F)cc1 58191136 OVYCZKXDRXDHLF-UHFFFAOYSA-N 246.232 2.045 0 40 BEAB CC1(C(=O)O)CCN(Cc2ccccc2)CC1 62844345 KOPVBCTUKHBHBV-UHFFFAOYSA-N 233.311 2.373 0 40 BEAB in-vitro CC(=O)N1CCCC[C@H]1c1ccccn1 72210999 UHNXDDAOMPMYCW-LBPRGKRZSA-N 204.273 2.155 0 40 BEAB COc1ncc(C2=NCCCC2)cc1C 72217732 XFHYOTPCIGOZCB-UHFFFAOYSA-N 204.273 2.372 0 40 BEAB Cc1cncc([C@H]2CCCN2C(=O)C(C)C)n1 72361251 UZLLUVYZDJNENE-GFCCVEGCSA-N 233.315 2.105 0 40 BEAB COC[C@@H](C)OC(=O)c1ccc(C)s1 73836498 RJTFYGOXCIADQL-SSDOTTSWSA-N 214.286 2.248 0 40 BEAB CCOc1ccc(NC(=O)C(C)C)c(N)c1 76859682 XPFOHXGKPVXPJO-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB Cc1nsc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 78302831 HQHXOKQNBIWEDU-CIUDSAMLSA-N 239.344 2.072 0 40 BEAB COC(=O)CCc1ccc(OC)cc1C 82721874 YEVSYHSLONKQGA-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB in-vitro Cc1nccc(C(=O)N(C2CCCC2)C2CC2)n1 84290674 GWIWFIWYYOTJEQ-UHFFFAOYSA-N 245.326 2.332 0 40 BEAB CC[C@@H](COC)Nc1c[nH]nc1-c1ccccn1 97101644 ANYXAJMVUCMXQA-JTQLQIEISA-N 246.314 2.309 0 40 BEAB Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H](C)O)C2)c1 97108012 FLBRRUWTPZNXCW-STQMWFEESA-N 247.338 2.000 0 40 BEAB O=C1[C@@H]2[C@H]([C@@H]3[C@H]4C=C[C@@H](C4)[C@@H]13)[C@H]1C=C[C@H]2C1 103900388 ZLXHZSNEHVHERY-LDMLIMFISA-N 212.292 2.446 0 40 BEAB Oc1ccc(/C=C/c2ccncn2)cc1F 157300071 OZUIUJDXDIIUEE-HNQUOIGGSA-N 216.215 2.492 0 40 BEAB Cc1ccnc(N2CCC(F)(F)CC2)n1 230589121 LIUGCDDDBYCXMX-UHFFFAOYSA-N 213.231 2.021 0 40 BEAB C[C@@]1(C(=O)N[C@@H]2CC=CCC2)CC1(F)F 334985479 DGLDDBFTSZXVHF-SCZZXKLOSA-N 215.243 2.257 0 40 BEAB Cc1c(Cl)c(C(F)F)nn1CCC(=O)O 408716849 RTHQVHRKBXPBGA-UHFFFAOYSA-N 238.621 2.257 0 40 BEAB Cc1nnc(CN[C@H](C)c2cnccc2C)s1 543739628 JHVMWTUDWVEWHM-SECBINFHSA-N 248.355 2.401 0 40 BEAB FC1(c2nc(-c3cnsc3)no2)CC1 924150907 QLVRESLGFMIROO-UHFFFAOYSA-N 211.221 2.152 0 40 BEAB C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](C)O1 29747 WIRZYKIFMJGHTQ-NXEZZACHSA-N 237.274 2.075 0 40 BEAB CCOC(=O)c1sc(N)nc1C(C)(C)C 343106 FHWBJUACHJHCLH-UHFFFAOYSA-N 228.317 2.200 0 40 BEAB CNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1 1392491 XBBGBDXUTAKEMG-UHFFFAOYSA-N 249.701 2.194 0 40 BEAB C[C@@H]1CN(c2ncnc3sccc23)C[C@@H](C)O1 4324091 LCEVDAZWVBWVKB-RKDXNWHRSA-N 249.339 2.305 0 40 BEAB CCOC(=O)N[C@H](OCC)c1ccccc1 4671483 LJNNZSRYFSUNMJ-LLVKDONJSA-N 223.272 2.468 0 40 BEAB CCCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9141984 OXVSTNWLYUDQLX-UHFFFAOYSA-N 247.298 2.375 0 40 BEAB Cc1cccc(/C=C\c2csnn2)n1 12495759 JFUFGBAYDYFUSN-WAYWQWQTSA-N 203.270 2.412 0 40 BEAB O=C(NCC1CC1)Nc1ccc(F)cc1 12976124 LTUARUBGOZZLQW-UHFFFAOYSA-N 208.236 2.357 0 40 BEAB Fc1ccc(OC2CCNCC2)c(F)c1 14631966 LJTKODIQFDAGSL-UHFFFAOYSA-N 213.227 2.096 0 40 BEAB in-vitro CC1=C[C@H](c2ccccc2)N2N=NNC2=N1 17953303 IDMQIZDTPHMAHG-SNVBAGLBSA-N 213.244 2.189 0 40 BEAB CCn1cc(CNCc2cccc(O)c2)c(C)n1 20352534 UQODPNDKUGCMIE-UHFFFAOYSA-N 245.326 2.207 0 40 BEAB O=C(O)CCCOCCc1ccccc1 20506716 SAUMQHDPIAICCP-UHFFFAOYSA-N 208.257 2.111 0 40 BEAB in-vitro CCCn1nc(C)c2c(C(=O)OC)cc(C)nc21 20614612 PTHNBHDYVPIZDC-UHFFFAOYSA-N 247.298 2.245 0 40 BEAB FC(F)(F)c1cccc(CC2CNC2)c1 22157428 CSUIQOBJUACZPS-UHFFFAOYSA-N 215.218 2.467 0 40 BEAB in-vitro C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc[nH]c1=O 31384921 NXORIIFNRQVBQN-CMPLNLGQSA-N 248.326 2.026 0 40 BEAB CSc1nccn1-c1ccc(C(=O)O)cc1 32625201 ZCICHLBTRTUUKQ-UHFFFAOYSA-N 234.280 2.292 0 40 BEAB in-vitro CN(C)C(=O)c1sccc1-n1cccc1 32752778 UZZBAESVZBNCHW-UHFFFAOYSA-N 220.297 2.241 0 40 BEAB CCOC(=O)c1cn[nH]c1CCc1ccccc1 38580615 KNBFRUBMFQQNAH-UHFFFAOYSA-N 244.294 2.372 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cn1 44945304 YCZJZZWTDKEYIH-CYBMUJFWSA-N 230.311 2.363 0 40 BEAB CC[C@@H](C)NCc1cnc(NC(C)C)nc1 62717619 JBYQRZHVUZENDP-SNVBAGLBSA-N 222.336 2.185 0 40 BEAB CSCCC(=O)N[C@H]1C[C@@H]1c1ccccc1 67503983 CKDTVPGSUBOLAQ-NEPJUHHUSA-N 235.352 2.412 0 40 BEAB CCOC(=O)C[C@](C)(NC)c1ccccc1 72210258 BIWNOQAEYMNSGI-ZDUSSCGKSA-N 221.300 2.074 0 40 BEAB COc1ccccc1C(=O)OCC[C@@H](C)OC 78949326 AMIFRZPEKVSIMJ-SNVBAGLBSA-N 238.283 2.277 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](N)C1 82048301 UQVRIGBITJSZJX-LBPRGKRZSA-N 248.326 2.437 0 40 BEAB C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)O 82249579 RPNWETGVFDFBSQ-ZETCQYMHSA-N 229.226 2.042 0 40 BEAB O=Cc1cc2nc(Br)ccc2[nH]1 82361021 MNDWUJKSYPYGES-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB O=C1CO[C@H](c2cc(Cl)cc(Cl)c2)CN1 96096225 CPHQGJPWIFPPTQ-VIFPVBQESA-N 246.093 2.181 0 40 BEAB CCCN(Cc1ccco1)C[C@H]1CCCN1 96523691 GWHRKSFZGOBTTK-GFCCVEGCSA-N 222.332 2.244 0 40 BEAB Cc1ccc2c(c1)N(Cc1cc[nH]n1)CC2 97057589 FTCWUBPGHGJEEZ-UHFFFAOYSA-N 213.284 2.281 0 40 BEAB O=C(c1ccccc1)N1O[C@@H]2C=C[C@@H]1CC2 104214264 UDSPWWLYUFTTAW-VXGBXAGGSA-N 215.252 2.161 0 40 BEAB C[C@H]1CCC[C@H](CC(=O)NCCCC(=O)O)C1 195541420 OGFVKKRSNMCBTB-QWRGUYRKSA-N 241.331 2.184 0 40 BEAB C[C@H]1C[C@]1(CN)[C@@H](O)c1ccc(Cl)cc1 216576191 FMRUFLXRUIWCBX-KPXOXKRLSA-N 225.719 2.358 0 40 BEAB NCc1ccc(C(F)(F)F)nc1C1CC1 252493475 NDDBAXJJVMANBI-UHFFFAOYSA-N 216.206 2.437 0 40 BEAB CCn1cc(C)c(NCc2cccn2C)n1 256052265 MQBKITSCMJZLLA-UHFFFAOYSA-N 218.304 2.162 0 40 BEAB COc1ccccc1[C@H]1CNCCN1CC1CC1 257224377 FBOOTGMUNYRVRI-CQSZACIVSA-N 246.354 2.052 0 40 BEAB CC1(C)C[C@H](NCC2(O)CCC2)CCS1 905665114 VCDYUSHXFHIWLC-SNVBAGLBSA-N 229.389 2.165 0 40 BEAB CC(C)(C)NC(=O)c1ccc2nccnc2c1 45669 ZJNPRUYOKFOYTE-UHFFFAOYSA-N 229.283 2.158 0 40 BEAB COc1cc(OC)c2c(OC)cccc2n1 384429 KCZIYFVJTLHOFN-UHFFFAOYSA-N 219.240 2.261 0 40 BEAB CCc1ccc(OCn2ccc(C(=O)O)n2)cc1 2535566 QRUNMMRCPOIZQF-UHFFFAOYSA-N 246.266 2.180 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845487 ONOBKWFGSCHVER-CWSCBRNRSA-N 224.300 2.191 0 40 BEAB CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 37150921 TUUDUTHPXYUKAA-UHFFFAOYSA-N 243.310 2.435 0 40 BEAB CCOCCCNC(=O)c1ccc(Cl)cc1 2756601 MYNQTMYGNWSOIA-UHFFFAOYSA-N 241.718 2.496 0 40 BEAB Cc1cc(O)c(C(=O)O)c(C)c1Br 57339618 CWPDGIHQGIUSDW-UHFFFAOYSA-N 245.072 2.470 0 40 BEAB Cn1nccc1/C=C/C(=O)NCC1CCCCC1 29960932 ISNJHBGIAJRQPS-BQYQJAHWSA-N 247.342 2.130 0 40 BEAB O=S(=O)(O)c1ccc(Cl)c2cccnc12 22054903 SWAFLXKUWRFGNY-UHFFFAOYSA-N 243.671 2.135 0 40 BEAB in-vitro CC[C@@H](C)[C@@H](C)Nc1ncnc2c1cnn2C 42417214 VRGQQBLIBHVYMT-RKDXNWHRSA-N 233.319 2.210 0 40 BEAB CCN1CC[C@H](CNCc2ccccc2F)C1 37644139 VJTLIVYGFLVWLF-GFCCVEGCSA-N 236.334 2.257 0 40 BEAB CC1(C)[C@@H]2CN(C(=O)C3CCCC3)C[C@H]21 102728497 LZVKEEQQPLTASF-GHMZBOCLSA-N 207.317 2.291 0 40 BEAB O=C(CCc1ccco1)NOCc1ccccc1 25039049 YHMPBFFJQDIHMB-UHFFFAOYSA-N 245.278 2.460 0 40 BEAB CN(CCC(=O)O)c1cccc(Cl)c1 20133760 PSAIJMYUWLWXAC-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB NCCc1cc(-c2ccc(Cl)cc2)on1 20270381 MOVZWLKXFSLREH-UHFFFAOYSA-N 222.675 2.496 0 40 BEAB Cc1ccc(C(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 12670483 BDJCZXGYZWNOTR-BETUJISGSA-N 247.338 2.287 0 40 BEAB CON(C)C(=O)/C=C/c1nc2ccccc2s1 12931655 ACVWSSPXIHBUHH-BQYQJAHWSA-N 248.307 2.329 0 40 BEAB CC(=O)c1cccc(NC(=O)c2cc(C)no2)c1 5006669 ODLDFDVPUSZMTN-UHFFFAOYSA-N 244.250 2.438 0 40 BEAB Cc1nnc(NC(=O)c2ccoc2C)s1 6254755 GABONGPYGNHKKR-UHFFFAOYSA-N 223.257 2.000 0 40 BEAB Cc1ccc(NC(N)=S)c(Cl)c1 6486870 GNNRBIUCWVOVQD-UHFFFAOYSA-N 200.694 2.304 0 40 BEAB in-vitro COC(=O)[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 409431646 RRJBIWLHSMLLKD-UKRRQHHQSA-N 245.322 2.072 0 40 BEAB Cc1cc(C)n(-c2cc(C(=O)O)ccc2F)n1 6681882 JOBXEHUVOYPOLN-UHFFFAOYSA-N 234.230 2.326 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@@H](C)N)cc1OC 20392401 HYRHCZXUDHOWNL-DVVUODLYSA-N 221.300 2.155 0 40 BEAB Nc1ccc(Nc2ccccn2)c(C(=O)O)c1 408712861 XFJCONQURLAWKT-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB Cc1cc(-c2nc(-c3ccccn3)no2)on1 95394398 OOKMRHOWVQDSQC-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CC(C)(C)c1cn2c(n1)[C@@H](C(=O)O)CCC2 74040134 ANJGDYMUTFBMKW-QMMMGPOBSA-N 222.288 2.143 0 40 BEAB Cc1ccc(F)c(OCC(=O)N2CCCC2)c1 85565967 KHTKXZHZRQQYGQ-UHFFFAOYSA-N 237.274 2.135 0 40 BEAB CCOC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 64874751 BOPOMQCSQFWHNU-UHFFFAOYSA-N 249.241 2.152 0 40 BEAB O=C(NCC1CCC1)c1ccccc1F 37501741 LDTFYRSTDLCFHI-UHFFFAOYSA-N 207.248 2.356 0 40 BEAB CCCCOC[C@@H](O)CN(C(C)C)C(C)C 32594536 CMMJYMHIMICZME-ZDUSSCGKSA-N 231.380 2.283 0 40 BEAB NS(=O)(=O)c1cccc(Oc2ccccc2)c1 73635859 MENDSEKLNCZSFF-UHFFFAOYSA-N 249.291 2.126 0 40 BEAB CN(C)c1ccc([C@H]2CCCCN2C)cn1 72212610 BXPINGFIPDUQQY-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB CCc1nccn1-c1cccc([C@H]2CCCN2)n1 72344156 ZITNPSJKKCBAJO-LLVKDONJSA-N 242.326 2.254 0 40 BEAB Cc1cc[n+](Cc2csc(C)n2)cc1 44229695 QBXHCGABLYKIHC-UHFFFAOYSA-N 205.306 2.096 0 40 BEAB CCC(=O)c1ccc(C2OCCO2)s1 43210325 FYYOXUDHMOBVOK-UHFFFAOYSA-N 212.270 2.386 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc(C)cc1Cl 225002878 RVSYSRGEVBLJEH-SECBINFHSA-N 241.718 2.413 0 40 BEAB CC[C@@H](C)[C@H](N)CN(CC)Cc1ccncc1 42516905 RXTNZCKMPYFWTC-TZMCWYRMSA-N 235.375 2.277 0 40 BEAB O=c1nc2oc3ccccc3cc-2s1 96338462 YLINWDLJLFJQHB-UHFFFAOYSA-N 203.222 2.354 0 40 BEAB CCOC(=O)[C@@H]1CCc2sc(C)nc21 95919680 QHNVVPXKGDMSNM-SSDOTTSWSA-N 211.286 2.044 0 40 BEAB Cc1ccccc1CCN1CCCC[C@H]1CN 96523605 KTCQBOGFTLESBB-HNNXBMFYSA-N 232.371 2.351 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]2O1 96070530 ZPYWRBILYNWKLA-DRZSPHRISA-N 237.343 2.203 0 40 BEAB Cc1cnn(C[C@H](C)NCc2cccnc2C)c1 69569651 XQCDGUFCRJMWCG-LBPRGKRZSA-N 244.342 2.073 0 40 BEAB CC[C@H](C)[C@H](C)NC[C@@H]1CCCN1CC 20092028 XZUSPJIKFBSHMU-AVGNSLFASA-N 212.381 2.495 0 40 BEAB CN(Cc1ccccc1)[C@H]1CC[C@H](N)CC1 2037834575 RKCSTEYXULIVGG-HDJSIYSDSA-N 218.344 2.388 0 40 BEAB CC(C)(C)C[C@@](C)(O)COC(=S)S 5885359 NECCIJMBYKCCKV-SECBINFHSA-N 222.375 2.405 0 40 BEAB COc1ccccc1[C@@H](N)c1ccncc1 13519121 XIAWDYMLNMMWCK-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB c1ccc(CCCOC[C@H]2CCNC2)cc1 14632402 ISNKCFQEGUYCAU-AWEZNQCLSA-N 219.328 2.245 0 40 BEAB CC[C@H](c1ccccc1)[C@@H]1CNCCC1=O 168636038 CBFVDTFNCYHRAB-OLZOCXBDSA-N 217.312 2.359 0 40 BEAB O=C(NCC[C@@H](O)c1ccsc1)C1CCC1 217524040 REEQHXDVPBHZIN-LLVKDONJSA-N 239.340 2.088 0 40 BEAB O=C(NC[C@@]1(O)C=CCCC1)c1cccc(F)c1 585146611 FEANMFFDZRLINT-CQSZACIVSA-N 249.285 2.027 0 40 BEAB Cc1cccc(CN2CCC[C@@H](C(=O)O)C2)c1 20266768 JANXWXFEKJLETQ-CYBMUJFWSA-N 233.311 2.292 0 40 BEAB O=C(Cc1ccccc1)Nc1ccccn1 335282 IDHXNKFHHLBOJE-UHFFFAOYSA-N 212.252 2.263 0 40 BEAB O=C1Nc2cnc(Cl)nc2Nc2ccccc21 1578378 JQQCNZKVCGQHEY-UHFFFAOYSA-N 246.657 2.439 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CC(=O)O 2580815 LUDNITDSPWSZOI-RKDXNWHRSA-N 243.303 2.155 0 40 BEAB O=C(O)C1CCN(Cc2ccsc2)CC1 3747782 NJHMALTXVBIZMY-UHFFFAOYSA-N 225.313 2.045 0 40 BEAB c1ccc(C2=NN=C(NC3CC3)SC2)cc1 5156901 TYKZJKITBFVWJU-UHFFFAOYSA-N 231.324 2.246 0 40 BEAB CC(=O)c1ccc(NC(=O)c2cc(C)n[nH]2)cc1 5941284 QPVNNPQBGRKAIB-UHFFFAOYSA-N 243.266 2.173 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1C1CCCCC1 6657228 AXKKQSLZEBXQJI-NIFPGPBJSA-N 247.338 2.350 0 40 BEAB O=C(NCc1ccccc1)Nc1cccnc1 9220899 OSVREKDEZIBUEC-UHFFFAOYSA-N 227.267 2.403 0 40 BEAB CC(C)[C@H](C(=O)O)N1CCc2ccccc2C1 11801222 FKHOVIRCWJBQHY-CYBMUJFWSA-N 233.311 2.154 0 40 BEAB in-vitro CNCc1ccc(OC)c(Br)c1 11920616 YYAJHBPONDSZOP-UHFFFAOYSA-N 230.105 2.177 0 40 BEAB CO[C@@H]1CCCCN1C(=O)OC(C)(C)C 15446224 WZDUMISBAHEPLN-SECBINFHSA-N 215.293 2.380 0 40 BEAB in-vitro NCc1c[nH]c2c(Br)cccc12 20269181 WYBJUXJPUNFHQA-UHFFFAOYSA-N 225.089 2.389 0 40 BEAB O=C(O)c1cc(-c2cccs2)nc2ccnn12 20605049 VIBHZLPEZJKIGV-UHFFFAOYSA-N 245.263 2.156 0 40 BEAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 32787735 IEJIMLDSAATWGJ-PWSUYJOCSA-N 233.315 2.127 0 40 BEAB O=C(c1n[nH]cc1Cl)N1CCc2ccccc21 36623974 BTHMEBKZLFHZBF-UHFFFAOYSA-N 247.685 2.266 0 40 BEAB CC(C)CN(C)c1ccc(C(=O)O)cc1 37108812 WMDSUECYXYURIM-UHFFFAOYSA-N 207.273 2.477 0 40 BEAB in-vitro Ic1cccc2c1OCO2 40443191 NEMFWXWQUHOSSH-UHFFFAOYSA-N 248.019 2.020 0 40 BEAB CCOc1ccccc1C(=O)Nc1cnn(C)c1 40510933 PNKFDMSJAJBJDC-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB Cc1ccccc1[C@@H]1CN(C(=O)C2CC2)CCO1 41395313 ODMJIZDTGZEIKS-AWEZNQCLSA-N 245.322 2.305 0 40 BEAB O=C(NCc1nccs1)C1CCCCC1 41533646 KIOCZHMNKLIONJ-UHFFFAOYSA-N 224.329 2.340 0 40 BEAB COc1ccccc1[C@@H](N)c1ccco1 43607204 CGACMEIJSCCYLJ-GFCCVEGCSA-N 203.241 2.336 0 40 BEAB in-vitro CC(C)Oc1nccc(Br)n1 44117969 FAINZTIGTBPCAY-UHFFFAOYSA-N 217.066 2.026 0 40 BEAB O=C(O)c1nccnc1Sc1ccccc1 44549095 KLNMOOQFTYGDPO-UHFFFAOYSA-N 232.264 2.326 0 40 BEAB COC(=O)C(=O)c1ccc(C(C)C)cc1 49813390 KPEZHNBKXPCVSV-UHFFFAOYSA-N 206.241 2.166 0 40 BEAB Cc1ccc(F)cc1C(F)(F)C(=O)O 52232629 VYOZMLBGGPNICM-UHFFFAOYSA-N 204.147 2.311 0 40 BEAB CCNCc1nc2c(s1)C[C@@H](C)CC2 53294450 LGFYVUOINGVDGW-QMMMGPOBSA-N 210.346 2.377 0 40 BEAB O=C(NC1CC1)c1c(F)cccc1Cl 55105110 WTQHGOXEERLQLK-UHFFFAOYSA-N 213.639 2.371 0 40 BEAB Cc1ccc2nc(N(C)CC(=O)O)sc2c1 74934173 STPYRNRCTBRECA-UHFFFAOYSA-N 236.296 2.126 0 40 BEAB OCC1(CSc2ccccc2Cl)COC1 75108791 KDAKYQASXRRMJD-UHFFFAOYSA-N 244.743 2.441 0 40 BEAB Fc1cc(Cn2cncn2)c2ncccc2c1 75138574 SLFBDYWWJAOOIQ-UHFFFAOYSA-N 228.230 2.014 0 40 BEAB CCC1(O)CCN(Cc2cccc(OC)c2)CC1 75858476 GIYQSCWSYQJBHM-UHFFFAOYSA-N 249.354 2.432 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 76939796 MBNFAZWNZIQYFM-WDSKDSINSA-N 213.639 2.068 0 40 BEAB Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 77240774 XWBAMXLGROIFKD-LLVKDONJSA-N 239.702 2.258 0 40 BEAB Cc1cccc(N(C)C(=O)[C@@H]2CCCN2)c1C 77364196 NNMYWNSPCQBDNH-LBPRGKRZSA-N 232.327 2.018 0 40 BEAB CCCn1cc(NC(=O)C(C)(C)C)cn1 80735862 XUTPLKVBFRYDHE-UHFFFAOYSA-N 209.293 2.278 0 40 BEAB Brc1cccc2c1CNCCC2 82360160 MOWSELWMYMXVBE-UHFFFAOYSA-N 226.117 2.485 0 40 BEAB O=C1NC2(CCC(C(F)(F)F)CC2)CO1 83966005 APPQCKIMLFTDQT-UHFFFAOYSA-N 223.194 2.218 0 40 BEAB CCc1c(C)ncnc1-n1nc(C)cc1C 85367611 ZIYKPSOMMYJXTB-UHFFFAOYSA-N 216.288 2.150 0 40 BEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)C1CC1 87410949 DOGOLEPVQLOIPQ-BBRMVZONSA-N 241.334 2.417 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89873178 ZPEWUQAIHOXBNF-OLZOCXBDSA-N 211.264 2.429 0 40 BEAB O=C(OCCCc1ccncc1)C1=CCCCO1 89884937 LLQPTPRKSMKUGH-UHFFFAOYSA-N 247.294 2.252 0 40 BEAB COC(=O)c1ccc(Cn2cc(C)cn2)c(F)c1 95442468 BFWODUKQFQGATJ-UHFFFAOYSA-N 248.257 2.166 0 40 BEAB OCc1cc(Cl)nc(C(F)(F)F)c1 95761679 ZFHFVKOYKPAGNL-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB FC(F)(F)c1ccc([C@H]2CCNC2)cn1 95762089 FUUYXYQVNUGYQF-QMMMGPOBSA-N 216.206 2.177 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)O)cc1 95970763 LPTMWLGCTBLPHL-JOYOIKCWSA-N 247.294 2.298 0 40 BEAB Cn1c(CCN)nc2cc(Cl)c(Cl)cc21 96985942 KSCQXPMNJVXOBT-UHFFFAOYSA-N 244.125 2.381 0 40 BEAB Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)nc1 97372746 NVTBGSGMYWQJSJ-QWRGUYRKSA-N 249.314 2.031 0 40 BEAB COc1c(C(=O)O)ccc(Br)c1F 98210734 AFGOBLKJMZSGTF-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB Cc1cc(OCc2ccn(C(C)C)n2)nn1C 179482740 JUZOSHRPCJLQER-UHFFFAOYSA-N 234.303 2.085 0 40 BEAB CO[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 219379460 KZDYTPGCOWPXET-ZJUUUORDSA-N 229.320 2.469 0 40 BEAB CCNC(=O)Nc1ccc(Cl)cc1O 408566869 ITUVSTMWSOLBBC-UHFFFAOYSA-N 214.652 2.187 0 40 BEAB Cc1cccc(OCc2ccncc2)n1 585654427 HTXLKQXDDJPLFZ-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB CCC1(NC(=O)c2nncc3ccccc23)CC1 821105681 QMTPOKZUEULEAH-UHFFFAOYSA-N 241.294 2.302 0 40 BEAB CCc1c(OC(C)=O)c2ccccc2n(C)c1=O 339707 VYGREJIWBFAHHD-UHFFFAOYSA-N 245.278 2.026 0 40 BEAB Cc1ccc(CC(=O)Nc2nnc(C)s2)cc1 795320 NXAHPOPREMHRJG-UHFFFAOYSA-N 247.323 2.336 0 40 BEAB CCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 8476326 KUPARLNHSVBEGT-UHFFFAOYSA-N 243.310 2.239 0 40 BEAB CC[C@H](CN)n1nc(C)c(Cl)c1C 12398195 RZDSLZVVZSCLAD-MRVPVSSYSA-N 201.701 2.063 0 40 BEAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)o1 12888010 OKHDPXUKYFILMI-UHFFFAOYSA-N 247.298 2.499 0 40 BEAB Cc1ccccc1-n1[nH]c2c(c1=O)CCCC2 17879182 FSJPHUCMLWROEC-UHFFFAOYSA-N 228.295 2.353 0 40 BEAB Cc1ccc(C2(CN)CCC(O)CC2)cc1 20443362 DHIOBIATTYQQCB-UHFFFAOYSA-N 219.328 2.126 0 40 BEAB FC(F)(F)COCC[C@@H]1CCCCN1 20593558 LMDJCCVWUDRNOC-QMMMGPOBSA-N 211.227 2.098 0 40 BEAB COc1cc2c(cc1OC)C(=O)[C@@H](C)C2 21989842 DRWBHZSJKUMHGN-ZETCQYMHSA-N 206.241 2.079 0 40 BEAB Cn1c(CCC(=O)O)nc2cccc(Cl)c21 22688838 LMGDISFVMJXNBH-UHFFFAOYSA-N 238.674 2.244 0 40 BEAB CCCC(=O)Nc1sc(CC)cc1C(N)=O 28226035 TWTAKHPSLVIHHY-UHFFFAOYSA-N 240.328 2.148 0 40 BEAB Cc1nsc(N)c1C(=O)OCc1ccccc1 32824325 NRRJTRALTRHWIW-UHFFFAOYSA-N 248.307 2.391 0 40 BEAB O=C(O)c1ccn(-c2cccc(Cl)c2)n1 34957526 WSIKEZXPBAOPOU-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro CC(C)[C@@]12C=CC=CC1=NC=C2CCO 36377993 NQZYLESITKLIBQ-CYBMUJFWSA-N 203.285 2.476 0 40 BEAB NC1(c2nc(-c3cccnc3)no2)CCCCC1 41032785 SOTBHSDWQQETCC-UHFFFAOYSA-N 244.298 2.250 0 40 BEAB CCc1ccc(-c2cc3c(O)nncn3n2)cc1 43875499 CULOJBCVQSQHCU-UHFFFAOYSA-N 240.266 2.059 0 40 BEAB O=C(NCC1(c2ccccc2)CC1)N1CCC1 45377236 GZVKNLVXEOIZMJ-UHFFFAOYSA-N 230.311 2.134 0 40 BEAB CN[C@@H](CN)c1ccc(Cl)cc1Cl 50269854 ZNSDEAVRHBLAGK-VIFPVBQESA-N 219.115 2.213 0 40 BEAB Cc1cc(CNC(=O)C=C(C2CC2)C2CC2)on1 50353615 FQRFUSKRTFZSOS-UHFFFAOYSA-N 246.310 2.346 0 40 BEAB CC(C)Cn1ncc(C(=O)O)c1C(F)F 61630044 OYFBYMFSYFWNMM-UHFFFAOYSA-N 218.203 2.175 0 40 BEAB in-vitro CCc1nc(CCNc2ccc(OC)cc2)n[nH]1 62719270 QWVHVCUSLVRROG-UHFFFAOYSA-N 246.314 2.030 0 40 BEAB CC(C)CCOc1ccccc1CNC(=N)N 66245995 BQFHDBUTOBTQCY-UHFFFAOYSA-N 235.331 2.095 0 40 BEAB Cc1nc(CN[C@H](C)[C@@H](C)n2cccn2)oc1C 69948464 FQOYZOCQOSKBJA-MWLCHTKSSA-N 248.330 2.227 0 40 BEAB CC(C)Cc1nc(CS[C@@H](C)CCO)no1 71922084 AMRXHCXEMQOYLT-VIFPVBQESA-N 244.360 2.272 0 40 BEAB CCCCc1nn(C)c(Cl)c1C=O 71976523 UOWQJHUOXCNLGY-UHFFFAOYSA-N 200.669 2.229 0 40 BEAB O[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 72206498 PAWWGIPNHRNTQI-SNVBAGLBSA-N 231.217 2.276 0 40 BEAB Cc1cc(N)nc(Nc2ccccc2C)n1 75156672 ACFMKOJTSIXYSV-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)C(=O)O 77389080 LHCJPDONJNMLDQ-ZETCQYMHSA-N 241.674 2.308 0 40 BEAB Cc1cccc([C@H](C)Sc2nnc(C)n2N)c1 78930068 GRYUUXJWRBXMTB-VIFPVBQESA-N 248.355 2.462 0 40 BEAB O=C(O)c1nc(C(F)(F)F)n2ccccc12 83253242 FSRQRDWXNRRZMD-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB in-vitro Cc1ccc(F)c(OCc2nnc(C)o2)c1 85565509 GJJRRWGVKAJXEI-UHFFFAOYSA-N 222.219 2.405 0 40 BEAB Fc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 90009248 UCDXJQNDMFHMOS-CQSZACIVSA-N 235.302 2.437 0 40 BEAB Cc1cccc(C(=O)C(F)(F)F)c1N 95917830 ICGITNUZIXIVSB-UHFFFAOYSA-N 203.163 2.322 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)O)cc1 95970761 LPTMWLGCTBLPHL-CABZTGNLSA-N 247.294 2.298 0 40 BEAB CCCCCN1CC(=O)N[C@@H]1c1cccs1 96499997 VRMVLAJVCULVJC-LBPRGKRZSA-N 238.356 2.369 0 40 BEAB CC(C)CN1C[C@H](CN)Cc2ccccc21 96510382 LOHCHQSLZBLPDT-LBPRGKRZSA-N 218.344 2.280 0 40 BEAB Oc1cnn(-c2ccc(Br)cc2)c1 96510722 CEDMWIRGMOBMSG-UHFFFAOYSA-N 239.072 2.340 0 40 BEAB CCC(CC)CNC[C@H]1CCCN1CC 96904745 UXLNOHDOYOXABN-CYBMUJFWSA-N 212.381 2.497 0 40 BEAB Cc1cc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)no1 100448365 IYJKHTMDTYUZEX-OPRDCNLKSA-N 220.272 2.358 0 40 BEAB N=C1O[C@H](/C=C\c2ccccc2)C(O)=C1O 104240548 JHBYQMDSFKBYHP-VCCZAROTSA-N 217.224 2.403 0 40 BEAB c1cnc2nc(N3C[C@H]4CC[C@H]3C4)ccc2n1 108072512 PBVMTKJKXRJOSB-UWVGGRQHSA-N 226.283 2.014 0 40 BEAB CCOc1cc(C)ccc1-c1cc(N)[nH]n1 113839072 HZTGWIXDWAEWRO-UHFFFAOYSA-N 217.272 2.366 0 40 BEAB CCc1ccc(C(=O)c2ccncc2N)cc1 199712137 SEDCWDNRFXRUSL-UHFFFAOYSA-N 226.279 2.457 0 40 BEAB CCN(C(=O)OC(C)(C)C)[C@@H]1CNCC[C@@H]1C 217677416 WQWRYKRMRBWZLF-WDEREUQCSA-N 242.363 2.241 0 40 BEAB CCO[C@H](Cc1ccc(Cl)cc1)C(=O)O 220528347 CUSRQHIMZYVXEU-SNVBAGLBSA-N 228.675 2.372 0 40 BEAB NCCNc1ccnc2ccc(Cl)cc12 222678755 XNUNBNVOCRASEW-UHFFFAOYSA-N 221.691 2.259 0 40 BEAB COc1cc(Br)c2ncncc2c1 306923101 YNITZHDMJVFTRM-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB COc1cc(N)c(OC)c2c(C)c(C)c(O)nc12 685937246 DHYXHUPJMOKXJT-UHFFFAOYSA-N 248.282 2.157 0 40 BEAB COC(=O)c1cc(-c2ccc(C)o2)on1 1857793971 GPYIQNZLHOBYMF-UHFFFAOYSA-N 207.185 2.030 0 40 BEAB CNc1cc(C(F)(F)F)nc(SC)n1 1398556 HFXLWBUAPNCQQH-UHFFFAOYSA-N 223.223 2.259 0 40 BEAB O=C1c2ccccc2SC[C@H]2CCCN12 1613047 ZEKYTGQESNCOEA-SECBINFHSA-N 219.309 2.397 0 40 BEAB CC(=O)Cc1ccc(O)c(Br)c1 2529238 BGMOZOKYYWZPRF-UHFFFAOYSA-N 229.073 2.286 0 40 BEAB CC1(C)O[C@@]2(C)CC[C@@H]1C(=O)OC2(C)C 3845848 VDPXXZOIXVYKMK-PELKAZGASA-N 212.289 2.286 0 40 BEAB COc1cccc([C@H](C)n2nccc2N)c1 4575254 OPJUZOFAZBHXLO-VIFPVBQESA-N 217.272 2.083 0 40 BEAB N[C@@H](c1ccc2c(c1)OCCO2)c1ccco1 4997847 MDZMAVNONYUYSJ-ZDUSSCGKSA-N 231.251 2.099 0 40 BEAB CCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C 5005639 DBKBMKQQYVUIBN-UHFFFAOYSA-N 236.315 2.364 0 40 BEAB COc1cccc(C(=O)NCc2ccncc2)c1 5393948 USIOQJCVZDYNLK-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCCCNC(=O)c1ccc(OC)c(OC)c1 5419805 KEBWOOMKEMSTRE-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB CCC(=O)O[C@@H](C)CC(C)(C)OC(=O)CC 5497935 PJHCJPZDUNHLPD-VIFPVBQESA-N 230.304 2.450 0 40 BEAB CCOCc1cc(C(=O)NC2CC2)ccc1OC 7952946 IBCSIVYNESNVJL-UHFFFAOYSA-N 249.310 2.124 0 40 BEAB O=C1O[C@@H]([C@@H](O)c2cccnc2)c2ccccc21 8651981 BRJQGOZCCGYHKL-QWHCGFSZSA-N 241.246 2.027 0 40 BEAB CC1CCN(c2cncc(Cl)n2)CC1 12825422 VBKTYBAQFJUFJS-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB in-vitro Cc1cccnc1NC(=S)NCC(C)C 13837340 QSUZMPCSEJXXLG-UHFFFAOYSA-N 223.345 2.332 0 40 BEAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCC1 16973518 VXNZFUDCLKTVIE-UHFFFAOYSA-N 248.282 2.086 0 40 BEAB CCNC(=S)Nc1ccc(Cl)cn1 17083487 JQFPFAXOVNHAPI-UHFFFAOYSA-N 215.709 2.041 0 40 BEAB NC[C@H](Cc1ccccc1)N1CCCCC1 19259693 FXKHWOSKHQXGRP-AWEZNQCLSA-N 218.344 2.042 0 40 BEAB CCOC(=O)Cn1ccc2ccnc(Cl)c21 19530589 PJPZYMRREZRRMV-UHFFFAOYSA-N 238.674 2.253 0 40 BEAB COc1ccc([C@@H](CN)C(C)C)cc1OC 19726153 SVXBMUBKMIIITD-NSHDSACASA-N 223.316 2.402 0 40 BEAB CC(C)[C@@H](NCc1cccc(F)c1)C(=O)O 19787743 RFFIBTBBCUVPLB-LLVKDONJSA-N 225.263 2.025 0 40 BEAB in-vitro COc1ccc(OC)c([C@H]2CCC(=O)O2)c1 19927058 XYCIKTXPBJTEKF-LLVKDONJSA-N 222.240 2.082 0 40 BEAB CC[C@H](C)OC(=O)Cc1ccccc1N 20155665 VCXFQKRWGNZPMI-VIFPVBQESA-N 207.273 2.153 0 40 BEAB CCOC(=O)c1c[nH]c2cc(C)ccc2c1=O 37593764 OZOMNKPYBWQMAH-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB CCOc1cccc(CNC2CCC(O)CC2)c1 37678206 KIESKVOKKQDGJE-UHFFFAOYSA-N 249.354 2.478 0 40 BEAB COc1ccc2c(c1)CCC[C@H]2C(=O)O 39290845 WDLWRQYLECGUNU-LLVKDONJSA-N 206.241 2.200 0 40 BEAB in-vitro O=C(NCCc1cccs1)C1CCC1 40160168 WXMOSSYJAQPDHI-UHFFFAOYSA-N 209.314 2.207 0 40 BEAB COCCSCC(=O)N[C@@H]1CCC[C@@H](C)C1 40508873 LKFPSBHBQCEICC-GHMZBOCLSA-N 245.388 2.061 0 40 BEAB CC(C)C[C@H](C)N(C)C(=O)CCn1cccn1 42726126 UXSKOZMTAABSPS-LBPRGKRZSA-N 237.347 2.166 0 40 BEAB O=C(OCCC1CCNCC1)c1ccccc1 42769433 OJGOVYBNJYTLGS-UHFFFAOYSA-N 233.311 2.233 0 40 BEAB in-vitro CNCc1ccc(Br)c(F)c1 43576925 BRWZARWIGCMZNR-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB in-vitro CCOC(=O)N1CC[C@@H]2Nc3ccccc3[C@H]2C1 44563932 VBDDIOPVRQTWKP-YPMHNXCESA-N 246.310 2.427 0 40 BEAB C[C@H]1CN(Cc2ccccc2)[C@H](C)CO1 45784234 RIEDPMKETZGTPA-NEPJUHHUSA-N 205.301 2.296 0 40 BEAB Fc1ccccc1COC[C@H]1CCCN1 51816416 ZPBKLXSKUDAQHX-LLVKDONJSA-N 209.264 2.094 0 40 BEAB c1ccc2nc(COC[C@H]3CCNC3)ccc2c1 51888095 SBLYIGABGGJMTC-LBPRGKRZSA-N 242.322 2.361 0 40 BEAB Cc1cc(C)cc(NC(=N)NC2CC2)c1 52069688 NHFRRJMEARJJPA-UHFFFAOYSA-N 203.289 2.402 0 40 BEAB c1ccc(CCSc2nnnn2C2CC2)cc1 58360393 HQLZSOJEKAPOSD-UHFFFAOYSA-N 246.339 2.343 0 40 BEAB Nc1nc(-c2ccncc2)cc(-c2ccco2)n1 62710313 XJHIKJWLRUFQEG-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB CC(C)(C)[C@H]1CCCN(S(C)(=O)=O)CC1 71909489 RIGMOVPGWPEHRH-JTQLQIEISA-N 233.377 2.094 0 40 BEAB CC(C)c1cc(C(=O)N(C)[C@H](C)C2CC2)n[nH]1 71947716 BWRGKZRKQTWGEW-SECBINFHSA-N 235.331 2.404 0 40 BEAB COC(=O)c1ccc(-c2cccnc2)nc1C 72417057 JYMTYHCCDRYQNI-UHFFFAOYSA-N 228.251 2.239 0 40 BEAB CO[C@]1(C)C[C@H](NC(=O)[C@H](C)SC)C1(C)C 73269032 SCJMDUOOKIPMPJ-HOTUBEGUSA-N 245.388 2.058 0 40 BEAB COc1cc2c(Br)cn(C)c2cn1 79019746 TVWISHQIDQDMNI-UHFFFAOYSA-N 241.088 2.344 0 40 BEAB CN(c1nc2ccccc2o1)[C@@H]1CCCNC1 79440534 OSVSBLNEJFKFOZ-SNVBAGLBSA-N 231.299 2.016 0 40 BEAB COc1cc2c(c(C(=O)O)c1)CCCC2 82378970 KAKMUGXWNOVKSK-UHFFFAOYSA-N 206.241 2.272 0 40 BEAB CSc1nc(O)c2oc3ncccc3c2n1 83291669 VZYCGKRLHRZJFE-UHFFFAOYSA-N 233.252 2.199 0 40 BEAB COC(=O)c1ccc(C(=O)c2cccs2)o1 85394422 ZCQSIZMTVGVZIL-UHFFFAOYSA-N 236.248 2.359 0 40 BEAB Cc1ccccc1-c1noc(CSC(=N)N)n1 87464332 ZJGNOUIZJUDSTG-UHFFFAOYSA-N 248.311 2.172 0 40 BEAB CC[C@H]1NCCC[C@H]1[C@H](O)c1ccccc1 95095229 HTUWJVPCNGAXBL-MGPQQGTHSA-N 219.328 2.498 0 40 BEAB CC[C@@H]1NCCC[C@H]1[C@H](O)c1ccccc1 95095230 HTUWJVPCNGAXBL-HZSPNIEDSA-N 219.328 2.498 0 40 BEAB CCCc1cc(=O)n(-c2ccccc2)[nH]1 95186652 NJDKWOATCAVSRV-UHFFFAOYSA-N 202.257 2.118 0 40 BEAB CC(=O)N1CCSC[C@@H]1c1ccccc1 95397551 YBIQAAKNELYETE-GFCCVEGCSA-N 221.325 2.323 0 40 BEAB COCCc1nsc(N2[C@@H](C)CC[C@H]2C)n1 95449436 KVSSDKWSLXQMAG-DTORHVGOSA-N 241.360 2.104 0 40 BEAB CCN(CC(C)(C)O)[C@H](C)c1ccccn1 95978709 AMBUUBMDAMRNRR-LLVKDONJSA-N 222.332 2.235 0 40 BEAB C1CCC(c2nc(CC3CCNCC3)no2)C1 96511479 UIIDWUNBEHIAPI-UHFFFAOYSA-N 235.331 2.269 0 40 BEAB Cc1cc(C)n(-c2ccc(Cl)c(C(N)=O)c2)n1 113870998 HPUAFUKACOAGJN-UHFFFAOYSA-N 249.701 2.241 0 40 BEAB CCOC(=O)C[C@@H](C)CNC(=O)OC(C)(C)C 151285914 QWZZGKKCHWPMRV-SECBINFHSA-N 245.319 2.100 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CN1CC[C@H](O)C1 191050265 FOLWJPWTGNESSN-AGIUHOORSA-N 209.333 2.045 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CN1CC[C@H](O)C1 191050293 FOLWJPWTGNESSN-FRRDWIJNSA-N 209.333 2.045 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCC(F)(F)C(F)F 195580149 UHTVBMSQNKHTTE-SSDOTTSWSA-N 239.212 2.359 0 40 BEAB CCN(C(=O)OC(C)(C)C)[C@H]1CNCC[C@@H]1C 217677499 WQWRYKRMRBWZLF-QWRGUYRKSA-N 242.363 2.241 0 40 BEAB CCOc1cc(Br)c(O)c(CO)c1 226233302 VTLSRKVYFSFSRM-UHFFFAOYSA-N 247.088 2.046 0 40 BEAB CSc1cccc(F)c1C(=O)N(C)C 281130294 DXHNZMPITCTSIV-UHFFFAOYSA-N 213.277 2.249 0 40 BEAB Clc1ncc(-c2ncc[nH]2)c(Cl)n1 585090227 OZKCDLSTNNHSJS-UHFFFAOYSA-N 215.043 2.174 0 40 BEAB c1ccc2sc(OC3COC3)nc2c1 585654857 NHJIBRZGFWUXGF-UHFFFAOYSA-N 207.254 2.074 0 40 BEAB CCOC(=O)C(F)(CC1CCC1)C(=O)OCC 1537958145 UOFKLBXPRWKGCD-UHFFFAOYSA-N 246.278 2.011 0 40 BEAB CC1(C)C[C@@H](CC(=O)OC(C)(C)C)CCN1 1887618034 PSJYFTOQBWLYGF-SNVBAGLBSA-N 227.348 2.496 0 40 BEAB CCCC[C@H](CC)CO[C@@H]1CCS(=O)(=O)C1 1565899 QVNCMGGYBIYJIG-NWDGAFQWSA-N 248.388 2.407 0 40 BEAB CC(C)(C)C(=O)CC(=O)c1ccncc1 4430784 UDVGQWHYFLERJZ-UHFFFAOYSA-N 205.257 2.270 0 40 BEAB CNCC1(c2ccc(C)cc2)CCOCC1 53739364 NCYRBNADORTCFU-UHFFFAOYSA-N 219.328 2.263 0 40 BEAB Cc1c(COC(C)C)cccc1NC(N)=O 76081963 SOLPHTHTBXHGFH-UHFFFAOYSA-N 222.288 2.411 0 40 BEAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCC(C)C 23975768 LCBHCZNZQPIGBZ-VOTSOKGWSA-N 249.358 2.212 0 40 BEAB Nc1cc2cc(Br)ccc2oc1=O 34483598 RLDVPYFBTIYVCM-UHFFFAOYSA-N 240.056 2.138 0 40 BEAB C[C@@H]1CCc2c(nn(-c3ccccc3)c2O)N1 110757615 LCEOFPHXCSPKER-SECBINFHSA-N 229.283 2.325 0 40 BEAB COC(=O)[C@H]1Cc2ccc(C)cc2S1 12980013 JUNBHEYULBVUEX-SNVBAGLBSA-N 208.282 2.185 0 40 BEAB COc1ccccc1[C@@H](CN)N1CCCCC1 38341992 PCQCMHDWEYJAET-CYBMUJFWSA-N 234.343 2.181 0 40 BEAB Cc1cccc(N2NC(C)(C)NC2=S)c1C 4311559 NKSLARRQFHOIJR-UHFFFAOYSA-N 235.356 2.239 0 40 BEAB Cc1cccc(S(=O)(=O)NCCC(C)C)c1 6207268 WAKOFFYDDWFIMO-UHFFFAOYSA-N 241.356 2.319 0 40 BEAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCO1 5756986 WRBPJGGXEGKSGP-SNVBAGLBSA-N 225.675 2.458 0 40 BEAB c1cc2c(cc1CCSc1cn[nH]n1)CCO2 89806952 MPKZZFLVPZKYDI-UHFFFAOYSA-N 247.323 2.074 0 40 BEAB CC[C@@H](NCc1ncc(C)o1)[C@@H]1CCCO1 96013920 UPUZMJRYQFYLLZ-MNOVXSKESA-N 224.304 2.030 0 40 BEAB C[C@@H](CCO)Nc1ncccc1C(F)(F)F 77226195 AVWHYQALTJTPDU-ZETCQYMHSA-N 234.221 2.283 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCN(C)C[C@H]2C)c1 72517684 TVLNDWZNEQRFPH-OCCSQVGLSA-N 246.354 2.065 0 40 BEAB CC[C@](C)(C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 22122815 VFSIRZHPFARYNZ-JFGNBEQYSA-N 213.321 2.218 0 40 BEAB O=C(CC1CC1)Nc1ccc(C(=O)O)cc1 36971084 BWPKOJMRXGLQQD-UHFFFAOYSA-N 219.240 2.123 0 40 BEAB Cc1nn(C)cc1NC(=O)C1CCCCC1 32610763 DLLRHHWLWZFKCZ-UHFFFAOYSA-N 221.304 2.247 0 40 BEAB CCCO[C@H](C)c1ccc([C@@H](N)CO)cc1 72220202 DFXQALFMJDURLV-MFKMUULPSA-N 223.316 2.166 0 40 BEAB Cc1cc(CN)cc(OC(F)(F)F)c1 38529750 TXXSBJFLIMRWIO-UHFFFAOYSA-N 205.179 2.352 0 40 BEAB CCC[C@H]1CCC(=O)[C@@H](C(=O)OCC)C1 43651400 XIPCNPGUFDSAMZ-UWVGGRQHSA-N 212.289 2.335 0 40 BEAB CCN(CC)[C@H](C)C(=O)c1ccc2c(c1)OCO2 222378700 DWARVNWIBRHVMQ-SNVBAGLBSA-N 249.310 2.328 0 40 BEAB in-vitro Cc1ccc(-c2noc(C=O)n2)c(C)c1 89262069 GBHFNXBTQQFKKA-UHFFFAOYSA-N 202.213 2.166 0 40 BEAB O=C(O)c1cncn1-c1ccc(Cl)cc1 82326577 GPKHSVMMFDKURK-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB Cc1c(Br)cccc1C(=O)N(C)C 83891087 YZZUSGXSAZYGNM-UHFFFAOYSA-N 242.116 2.459 0 40 BEAB N#Cc1ccccc1-c1ccc(/C=C\C(N)=O)o1 45015928 HLBSGXJJIRMMGW-VURMDHGXSA-N 238.246 2.317 0 40 BEAB C[C@H]1[C@H]2[C@H](N)C[C@H](C(F)(F)F)C[C@H]2O[C@@H]1C 225763256 CZVKMVVAGFXBBQ-PXSBVEPCSA-N 237.265 2.326 0 40 BEAB COc1ccc2c(O)c(C(C)=O)cnc2c1 147421770 PIGHUWSQFSIYAT-UHFFFAOYSA-N 217.224 2.152 0 40 BEAB NCc1cccc2c(Br)ccnc12 199523474 FWSBXOAPRRAUAA-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB CCOC(=O)c1c[nH]cc1-c1ccccn1 95093368 GLQKXBIHJPARNA-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB CCCN(Cc1ccco1)C[C@@H]1CCCN1 96523690 GWHRKSFZGOBTTK-LBPRGKRZSA-N 222.332 2.244 0 40 BEAB Cc1cccc2nc(C(F)(F)F)[nH]c(=O)c12 62152173 IMVVSELUSQRNEE-UHFFFAOYSA-N 228.173 2.250 0 40 BEAB in-vitro O=C(NCc1cncc(-c2ccco2)c1)C1CC1 575609369 WXKUZVLYERTMQS-UHFFFAOYSA-N 242.278 2.368 0 40 BEAB Clc1ccc(CCNCc2ncc[nH]2)cc1 49714635 BSVNDZYXYRESHQ-UHFFFAOYSA-N 235.718 2.395 0 40 BEAB Cn1ccnc1CNc1ccc(F)cc1F 34937794 VQESXECJKTXTGF-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CCOCC(=O)Nc1cc(F)ccc1C(C)=O 96010264 JAGDBAZUJYOECS-UHFFFAOYSA-N 239.246 2.003 0 40 BEAB CC(C)OCCCN1CCC[C@H]1CCCO 95351195 IRXDWJJFBRMYAW-ZDUSSCGKSA-N 229.364 2.038 0 40 BEAB C[C@@H]1CC(=O)C[C@H](COCc2ccccc2)O1 1857793084 FMVVKOCQLVCBIZ-BXUZGUMPSA-N 234.295 2.340 0 40 BEAB S=C(Nc1ccccc1)Nc1ncccn1 5162402 XLEVVKHJEMZXNI-UHFFFAOYSA-N 230.296 2.286 0 40 BEAB COc1cc(Br)cn2ccnc12 77002002 ZSIKDYISURSYPX-UHFFFAOYSA-N 227.061 2.105 0 40 BEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccccc1 100002510 KQVNCFJZEZPYOS-STQMWFEESA-N 241.290 2.138 0 40 BEAB Cc1cc(CSc2nncn2C2CC2)on1 40485849 RVTKEYPNQFDEDR-UHFFFAOYSA-N 236.300 2.202 0 40 BEAB Cc1nc2ccccc2n1C(=O)CCCC(=O)O 297377 BWINMESZIVCYBC-UHFFFAOYSA-N 246.266 2.240 0 40 BEAB Cc1nnc2n1NC(c1ccccc1)=CS2 502206 QOPVQHXYUKCHCT-UHFFFAOYSA-N 230.296 2.234 0 40 BEAB CCCCN(C)c1ncc(Cl)c(C(=O)O)n1 3175685 YZNBLNJBPVVSBL-UHFFFAOYSA-N 243.694 2.065 0 40 BEAB COc1ccccc1CNc1ncccn1 4689004 SEKWQJWWUQIGFZ-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB CCc1cccc(C)c1NS(=O)(=O)CC 5924389 ZZWJOABBDSRBLB-UHFFFAOYSA-N 227.329 2.319 0 40 BEAB O=C(O)/C=C\c1ccc(F)c(F)c1F 12416820 AYDLBRHSHLRVAH-RQOWECAXSA-N 202.131 2.202 0 40 BEAB Cc1cc(C(=O)O)c2nc3n(c2n1)CCCCC3 12505842 HJBFBFJEIWRNSU-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB COc1ccc(NC(=O)C2(C)CC2)cc1 13560832 KNSZCFJFZZYMNV-UHFFFAOYSA-N 205.257 2.434 0 40 BEAB CCCOCCOc1ccc(F)cc1N 14629868 VDQFENSJECUEHZ-UHFFFAOYSA-N 213.252 2.213 0 40 BEAB CC(C)CC(=O)NC[C@@H](c1ccco1)N(C)C 15831500 PNPAHZSWXVPEKM-NSHDSACASA-N 238.331 2.045 0 40 BEAB C[C@@H](NC(=O)CC1CCNCC1)c1ccccc1 19471630 IHNMADIQRUHWJA-GFCCVEGCSA-N 246.354 2.254 0 40 BEAB N[C@H](Cc1ccccc1)CN1CCCCC1 20073662 TXLIXMQWPQGLPR-CQSZACIVSA-N 218.344 2.042 0 40 BEAB Nc1ccc(C(=O)NCc2ccccc2F)cc1 20193343 MMAAQZGDDXCWAG-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB Cc1nn(C)cc1NCc1cccs1 20351680 NYJHBRUKTMLRQS-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB C[C@@H](CNC(=O)CCCC(=O)O)c1ccccc1 35135228 OFSOURBAFYFXEV-NSHDSACASA-N 249.310 2.161 0 40 BEAB CCOc1c(F)cc(CO)cc1Cl 38529983 DUWRGOSLIVJCQY-UHFFFAOYSA-N 204.628 2.370 0 40 BEAB in-vitro Cc1cc(CN(C)C(=O)[C@H]2CC=CCC2)no1 40505361 RSXZFXXYBANCSX-NSHDSACASA-N 234.299 2.298 0 40 BEAB N[C@@H](CCO)c1cccc2ccccc12 44197924 WMFVLYNMUQRXTB-ZDUSSCGKSA-N 201.269 2.222 0 40 BEAB Cc1ccccc1CC(=O)NCC(F)(F)F 44723508 HQRZJPUJMFSZIU-UHFFFAOYSA-N 231.217 2.216 0 40 BEAB CCOC(=O)[C@@H](C)n1nc(C)c(CC)c1C 47218797 YTGIDAVTNPREAJ-SNVBAGLBSA-N 224.304 2.186 0 40 BEAB c1nc(CN(C[C@@H]2CCOC2)C2CC2)cs1 48251541 WCWRZSYGGOGIIX-JTQLQIEISA-N 238.356 2.144 0 40 BEAB COC(=O)CCCC(=O)c1cc(F)ccc1F 49830871 RHHLMQOXHREDCE-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB NC[C@H](CC(=O)N1CCCCC1)c1ccccc1 57535798 ADVPMOGQHPMFOD-AWEZNQCLSA-N 246.354 2.132 0 40 BEAB COc1ccc(Cc2nnc(SC)o2)cc1 57805849 FYPKWOUKYVPOMY-UHFFFAOYSA-N 236.296 2.391 0 40 BEAB CCCn1c(=O)n(CCC)c2cc(N)ccc21 59549647 QVMNQFFWXGWPQB-UHFFFAOYSA-N 233.315 2.205 0 40 BEAB CCOc1ccccc1-c1nocc1C(=O)O 71536684 ADLKRQDHVXZFRX-UHFFFAOYSA-N 233.223 2.439 0 40 BEAB O=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 72179005 CDVNHFMDFXOJIM-UHFFFAOYSA-N 242.065 2.387 0 40 BEAB in-vitro CCOc1ccc2c(C)c(C(=O)O)c(=O)oc2c1 72226066 DCPWVHBTXZGPFP-UHFFFAOYSA-N 248.234 2.198 0 40 BEAB CC(=O)N1CCC(Oc2cccc(F)c2)CC1 72351013 LKMGFHSOHPVAKN-UHFFFAOYSA-N 237.274 2.215 0 40 BEAB C[C@@H]1CCCN(c2cc(C3CC3)nc(N)n2)C1 78404612 LEUPOUHAXVHUFO-SECBINFHSA-N 232.331 2.173 0 40 BEAB COc1cccc2c(C)cc(CCN)nc12 82777664 IOGOMJXRWHOWDA-UHFFFAOYSA-N 216.284 2.053 0 40 BEAB Nc1noc(-c2ccccn2)c1Br 86517638 YBKMVWAGHDAIOJ-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB C[C@@]1(CO)CCC[C@H]1NC1CCCCC1 89919259 IKLVLXQEMRZBLA-OLZOCXBDSA-N 211.349 2.460 0 40 BEAB CCCCOCC(=O)Nc1ccccc1 90447714 XMOAGQWGFRJJGH-UHFFFAOYSA-N 207.273 2.442 0 40 BEAB C[C@H]1C[C@H](CNC(=O)Nc2cccnc2)CCO1 95457621 KBLYHTUHHRWCNZ-WDEREUQCSA-N 249.314 2.018 0 40 BEAB CCC[C@@H](CC(=O)O)NCc1ccccc1 96125851 JQKKEYCMOYWIOU-LBPRGKRZSA-N 221.300 2.420 0 40 BEAB O=c1c([C@@H]2NCCS2)coc2ccccc12 96170755 WJBVIUUFVGVIRN-GFCCVEGCSA-N 233.292 2.128 0 40 BEAB NC12C[C@@H]3C[C@H](C1)CC(Br)(C3)C2 96194513 MVSBABWZAHWBSX-BQKDNTBBSA-N 230.149 2.431 0 40 BEAB CCc1oc(C(=O)Nc2cnccn2)cc1C 97380002 DOFZQPNMDGXNOE-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CC[C@@H](NN)c1ccc(C(F)(F)F)cn1 97684391 REYDDEHAGIFBQF-SSDOTTSWSA-N 219.210 2.015 0 40 BEAB c1ccc(CN2C[C@H]3CC[C@H](C2)O3)cc1 100015782 FWPBWDMKQQRHHZ-CHWSQXEVSA-N 203.285 2.050 0 40 BEAB c1cn(C[C@@H]2CCCN2Cc2cscn2)cn1 188398175 WQYWCXMFVVVZIN-LBPRGKRZSA-N 248.355 2.004 0 40 BEAB CC(C)OCCCN1CCN[C@H]2CCCC[C@H]21 218831193 SVOFHSOHNPEOPL-UONOGXRCSA-N 240.391 2.018 0 40 BEAB Fc1cc(F)cc(N2CCN[C@@H]3CCC[C@@H]32)c1 225717623 FOHMKEYMQWAYOY-OLZOCXBDSA-N 238.281 2.296 0 40 BEAB C[C@@H]1O[C@H]2CCC[C@@H](CC(=O)O)[C@@H]2[C@@H]1C 225763809 MTYHLPGWADWHSZ-CUAHWVMCSA-N 212.289 2.301 0 40 BEAB CC1=Nc2ccccc2[C@@H](OCC(=O)O)C1 227148558 GPENCZBUOVSSTD-NSHDSACASA-N 219.240 2.325 0 40 BEAB CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@H]2C)CC1 252523233 CDBVQSYKHWIQOT-ZDEQEGDKSA-N 239.359 2.496 0 40 BEAB CCc1nc(CN2CCC[C@H]2C(F)(F)F)no1 527629576 KOSAAIJQZGVWLK-ZETCQYMHSA-N 249.236 2.159 0 40 BEAB CC(C)CC(=O)N1CC[C@@H](OCC2CC2)C1 575414419 JPQKJDRAZKVUNP-GFCCVEGCSA-N 225.332 2.060 0 40 BEAB Cc1c(-c2ncns2)ccc2c1CCO2 904860251 YQLLAMVVTQAAPT-UHFFFAOYSA-N 218.281 2.448 0 40 BEAB CCC(=O)NC(=S)N1CCCc2ccccc21 358861 JIWDKCWXODYTFV-UHFFFAOYSA-N 248.351 2.250 0 40 BEAB C/C(=C/C(=O)O)C(=O)Nc1ccc(C)c(C)c1 5234982 FFPJSPSNMLPERS-YFHOEESVSA-N 233.267 2.273 0 40 BEAB CCN(CC)C(=O)CCc1ccc(OC)cc1 5470476 WBHUFZREDUOUDY-UHFFFAOYSA-N 235.327 2.496 0 40 BEAB CC(C)(C)NCc1[nH]nnc1-c1ccccc1 6262571 HCNHGGUUNTUOHY-UHFFFAOYSA-N 230.315 2.360 0 40 BEAB O=Cc1ccc(OC[C@@H]2CCCO2)cc1 9256921 XNNTWUIEFDDWBO-LBPRGKRZSA-N 206.241 2.057 0 40 BEAB in-vitro CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1 11959392 MTDRXQDDWPFCEW-AAEUAGOBSA-N 234.343 2.018 0 40 BEAB CCCCS(=O)(=O)Nc1ccccc1 13322999 OAWJISLDPLWHLQ-UHFFFAOYSA-N 213.302 2.228 0 40 BEAB COC[C@H](C)NC(=O)Nc1ccc(C)cc1 18177926 UPJZPOIEXWJJKZ-JTQLQIEISA-N 222.288 2.151 0 40 BEAB COc1ccc2cc(CCN)ccc2c1 19392069 ZVFDBOOWCDSJEX-UHFFFAOYSA-N 201.269 2.350 0 40 BEAB Cn1c([C@H](N)c2ccncc2)nc2ccccc21 19930063 PRLYWJUNLNBTRM-CYBMUJFWSA-N 238.294 2.016 0 40 BEAB in-vitro CCCC(=O)Nc1cccc(C(=O)O)c1C 20136513 WPWXVOSIGWQIRP-UHFFFAOYSA-N 221.256 2.432 0 40 BEAB Cc1nc2c(O)nnc(-c3ccco3)c2s1 26421288 QDKGIMAUOAOZNK-UHFFFAOYSA-N 233.252 2.360 0 40 BEAB CCNC(=O)c1ccc(OC(F)F)cc1 33026387 WXPPBYHDYWLPBV-UHFFFAOYSA-N 215.199 2.038 0 40 BEAB COC(=O)c1cc2c(F)ccc(F)c2[nH]1 35364672 CLWATHYRGZYELC-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB NC(=O)c1ccccc1SC(F)(F)F 36963069 OFHJONWLHGXBMQ-UHFFFAOYSA-N 221.203 2.397 0 40 BEAB COC(=O)[C@@H](N)c1c(Cl)cccc1Cl 37459753 MCAFQQRDOMKZEG-QMMMGPOBSA-N 234.082 2.166 0 40 BEAB COC1CCN(C(=O)c2ccc(F)cc2)CC1 37979459 NPIBNIWWYOBBTQ-UHFFFAOYSA-N 237.274 2.077 0 40 BEAB O=C(Nc1ccc(-c2nnco2)cc1)C1CC1 47256564 SKOLVTYRJDCGPB-UHFFFAOYSA-N 229.239 2.085 0 40 BEAB CCCNCc1ccc(-n2cncn2)c(C)c1 50562413 JWTKVRVIZDPGRX-UHFFFAOYSA-N 230.315 2.075 0 40 BEAB CCc1ccc(Oc2cc(NN)ncn2)cc1 51357953 WRYJLVAPJDOPFS-UHFFFAOYSA-N 230.271 2.117 0 40 BEAB O[C@@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 51996526 JCGSQQHJICCUPA-LSDHHAIUSA-N 231.339 2.047 0 40 BEAB CCCc1nc(CN2CCOC[C@@H]2C)cs1 58200944 UBMWJTVEHFTXGW-JTQLQIEISA-N 240.372 2.316 0 40 BEAB CCCC(C)(C)NC(=O)c1cc(C)nn1C 65041040 BAIHGLLIQJKYHG-UHFFFAOYSA-N 223.320 2.037 0 40 BEAB Cc1cc(NCC2(C)CCCC2)n2ncnc2n1 66468078 VQAZAJSAELCNOT-UHFFFAOYSA-N 245.330 2.425 0 40 BEAB CCn1c(Cn2ccnc2)nc2cc(F)ccc21 66828951 HMOGOVDBOCWVLA-UHFFFAOYSA-N 244.273 2.440 0 40 BEAB O=C(NC1CC1)c1cc(-c2ccccc2)no1 70253783 SQFNJSKUJWHSOR-UHFFFAOYSA-N 228.251 2.234 0 40 BEAB CCN(C)c1ccc([C@@H]2CCCCN2)cn1 72212728 YXFXDYFZUCSPKL-LBPRGKRZSA-N 219.332 2.352 0 40 BEAB CCN1CCC[C@@H]1c1ccc(O)nc1C 72218191 NKDMKHUZKDTOHC-LLVKDONJSA-N 206.289 2.252 0 40 BEAB C[C@@H](O)c1ccc(N2CCCCC2)nc1 72225448 BLEGDRHGAITHNZ-SNVBAGLBSA-N 206.289 2.125 0 40 BEAB Cc1cc(CNC(=O)c2ccoc2)c(C)o1 74616348 DBEPUIYOMMTZJL-UHFFFAOYSA-N 219.240 2.419 0 40 BEAB Cn1nc(-c2c(F)cccc2F)cc1C(=O)O 77606213 NDAZFCWIZAEBOU-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB CN(C)C(=O)c1coc(-c2ccccc2)n1 95399328 IUUBVSUKPWRMQZ-UHFFFAOYSA-N 216.240 2.043 0 40 BEAB CC(C)(C)c1nc([C@H](N)Cc2ccccc2)n[nH]1 95534902 ZOYWGKMIZAKMAP-LLVKDONJSA-N 244.342 2.345 0 40 BEAB Nc1ncnc2c(Br)scc12 95743391 MDOGJTRGEFQUJM-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB C[C@@H]1CCCC[C@@H]1CNC[C@@H](C)[S@](C)=O 97106902 OGDDKJFSBCKKRX-RTWAVKEYSA-N 231.405 2.169 0 40 BEAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc[nH]n1 98013213 BPKXLFHVBLQOGN-CMPLNLGQSA-N 233.315 2.108 0 40 BEAB C[C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C[C@@H]1O 217892030 UTINLICILIBKRJ-HOTUBEGUSA-N 229.320 2.061 0 40 BEAB CCCN1CCC[C@H]1CCCNC1CC1 218328326 FRUNNUFRMISXBV-CYBMUJFWSA-N 210.365 2.393 0 40 BEAB CC(C)=CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@@H]12 228921258 KABWVFXAWUNQFO-PWSUYJOCSA-N 220.316 2.286 0 40 BEAB CCn1cc(C)c(NCc2c(C)cnn2CC)n1 256050358 DSWXZDRTEXSLTD-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H]2O)C1 306145906 VDXFMZNGCMQHJO-MFKMUULPSA-N 241.331 2.158 0 40 BEAB CC(=O)N1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 585286497 SDUPTCMSHSAEHH-WCQYABFASA-N 225.332 2.203 0 40 BEAB O=C(Nc1nncs1)c1cccc(Cl)c1 338614 QKQIWVLYLNDBMM-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB COc1ccc([C@@H]2NC(C)(C)CO2)cc1 2044033 ZZDYHBPPVMOWFG-LLVKDONJSA-N 207.273 2.092 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2556533 QIARYQWAMYNMRX-QMMMGPOBSA-N 245.319 2.241 0 40 BEAB O=S(=O)(Nc1ccc(F)cc1)C(F)(F)F 3184422 IMGVTOLHEJJHLI-UHFFFAOYSA-N 243.181 2.087 0 40 BEAB CC(C)[C@@H](O)[C@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845872 QJANQSIODSCOQO-BREBYQMCSA-N 244.331 2.052 0 40 BEAB COC(=O)c1sc(-c2ccccn2)nc1C 5010980 FTBPGHRUVOLRMJ-UHFFFAOYSA-N 234.280 2.300 0 40 BEAB CCN(CC)CCNC(=O)c1cccc(C)c1 5453451 HEWLWIRNWGATOR-UHFFFAOYSA-N 234.343 2.067 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cccnc1 5631786 DOBAEHHTUBAASS-GFCCVEGCSA-N 204.273 2.155 0 40 BEAB biogenic,in-vitro O=C1O[C@@H](CC(=O)C2CC2)c2ccccc21 5685440 XJUVIDFXJHCFCG-LBPRGKRZSA-N 216.236 2.267 0 40 BEAB biogenic Nc1cc(C2CC2)nn1-c1ccccc1F 12396768 SWZIPGYJKCJYOZ-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB O=C(O)CCCCc1ccc2c(c1)OCO2 14591331 VSLFLWQBWGEPBW-UHFFFAOYSA-N 222.240 2.213 0 40 BEAB endogenous,in-man Cc1cc2cccc(-n3nnnc3C)c2o1 15084483 TUIBNWJXLXROQI-UHFFFAOYSA-N 214.228 2.025 0 40 BEAB CC(C)CCNC(=O)c1ccc(N)cc1 19276369 VAUAVJDYLXCRSN-UHFFFAOYSA-N 206.289 2.045 0 40 BEAB CSc1ccc([C@H](C)NS(C)(=O)=O)cc1 20029899 CUDIFEOEUZAXLP-QMMMGPOBSA-N 245.369 2.019 0 40 BEAB Cc1cccc(C(=O)O)c1-n1cccc1 20283318 HUEZYBRDOHNVDX-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB in-vitro COc1ccc([C@H]2CCCNC2)cc1OC 20417807 GFRXXGINNMABOS-NSHDSACASA-N 221.300 2.171 0 40 BEAB CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 22053810 HEJIYTVOUUVHRY-GFCCVEGCSA-N 247.294 2.377 0 40 BEAB in-vitro CCONC(=O)c1ccc(C)c(-n2cccc2)c1 22875336 RIFUNXWGVZEUEE-UHFFFAOYSA-N 244.294 2.467 0 40 BEAB CS(=O)(=O)c1cccc2sc(Cl)nc12 26424188 GIRDTLZWRYCEMO-UHFFFAOYSA-N 247.728 2.353 0 40 BEAB CCc1cccc(NC(=O)N2CCOCC2)c1 27336698 AMWFKWQEHOOMJB-UHFFFAOYSA-N 234.299 2.113 0 40 BEAB CC[C@@H]1CCCCN1C[C@@H]1CCCCN1 32012423 NTFVIIAEJUAUIK-QWHCGFSZSA-N 210.365 2.393 0 40 BEAB Nc1noc(-c2cccc3ccccc23)n1 32624097 BIVFLWKKMZTGLA-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB O=C(O)c1cccc2[nH]cc(CN3CCCC3)c12 32919068 WHPBPRRMDLERRT-UHFFFAOYSA-N 244.294 2.462 0 40 BEAB biogenic C[C@@H]1CNCC[C@@]1(C)c1cccc(O)c1 34369930 HXZDAOSDNCHKFE-ZWNOBZJWSA-N 205.301 2.279 0 40 BEAB O=C(O)[C@@H](c1ccc(F)cc1F)N1CCCC1 37360291 XDGWWYWJZYCHRR-LLVKDONJSA-N 241.237 2.186 0 40 BEAB C[C@@H](NCCN)C12CC3CC(CC(C3)C1)C2 37712444 LOHUAMCHNGBEBX-ZGCIAEMCSA-N 222.376 2.140 0 40 BEAB Nc1ccccc1-c1nc(-c2ccccn2)n[nH]1 40162951 BRGVDBMZFWNCBT-UHFFFAOYSA-N 237.266 2.116 0 40 BEAB Cc1cc(CN2C[C@@H](C)C[C@@H](C)C2)on1 40475779 FORYWDQVKRFDAB-AOOOYVTPSA-N 208.305 2.461 0 40 BEAB CCC[C@@H](C)C(=O)NCc1cccnc1N(C)C 40534588 LNSXWPXVVDSIQC-LLVKDONJSA-N 249.358 2.200 0 40 BEAB Cc1ccc(CCC(=O)N2CCOC[C@@H]2C)cc1 40669203 REOXEUCAPWWUAB-ZDUSSCGKSA-N 247.338 2.175 0 40 BEAB CCc1ccc([C@@H](CO)N2CCCC2)cc1 41232819 RNLYAXLYDFTOIE-CQSZACIVSA-N 219.328 2.378 0 40 BEAB CC(C)[C@H](C)NC(=O)Nc1nccs1 42737865 HRZSJBUKCUSLNU-ZETCQYMHSA-N 213.306 2.309 0 40 BEAB Cc1ccc(OC[C@H]2CCNC2)cc1C 42772842 PQUSDUYMXLRDIG-LBPRGKRZSA-N 205.301 2.292 0 40 BEAB Cc1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775125 IRBMMZALAHZPEL-SECBINFHSA-N 211.692 2.389 0 40 BEAB CCCOc1ccc(CNC(C)=O)cc1OC 47450455 VTPLMFVFJMJTAY-UHFFFAOYSA-N 237.299 2.120 0 40 BEAB CSCc1nnc(SC(C)C)o1 48396433 SZOZKZMQFZZBFT-UHFFFAOYSA-N 204.320 2.433 0 40 BEAB N[C@]1(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1 62712929 CEPAFJXWXPXGOY-QUBYGPBYSA-N 246.093 2.263 0 40 BEAB CCCN(C)[C@H](C)C(=O)NCc1ccccc1 69092921 CGMDTXAXCMNVNI-GFCCVEGCSA-N 234.343 2.033 0 40 BEAB Cc1cc(N2CCCCC2)ncc1[C@@H](C)O 72223497 BWGYQVJRCPBJOI-LLVKDONJSA-N 220.316 2.434 0 40 BEAB Cc1ccccc1NC(=O)N1[C@H]2CC[C@@H]1COC2 75166550 KZPBNRTZXKJCJT-TXEJJXNPSA-N 246.310 2.390 0 40 BEAB CC[C@H](c1ccccc1)N(C(=O)[C@H](C)N)C1CC1 79421272 GUTOZEGTJSJQMH-SMDDNHRTSA-N 246.354 2.476 0 40 BEAB O=C([C@H]1CCCOC1)N1CCc2ccccc21 82321793 UTEDWBQONWOKIN-LBPRGKRZSA-N 231.295 2.002 0 40 BEAB COC(=O)C1(Oc2ccc(Cl)cc2)CC1 85393149 CUGMBVFUWZCUKV-UHFFFAOYSA-N 226.659 2.424 0 40 BEAB COC(=O)Cc1coc2cc(F)ccc12 85399355 GTUKXAHHMQBRET-UHFFFAOYSA-N 208.188 2.287 0 40 BEAB COC1(CN[C@@H]2CCCC2(C)C)CCOCC1 90653340 QLKTZJWVRUZVGN-GFCCVEGCSA-N 241.375 2.350 0 40 BEAB CCCCSC[C@@H](C)CS(C)(=O)=O 95411013 VSMYVGDDRIQLPC-SECBINFHSA-N 224.391 2.200 0 40 BEAB CC(C)(C)OC(=O)NCc1ccc(F)c(N)c1 95755813 ZESPVVPBNKPRRE-UHFFFAOYSA-N 240.278 2.433 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](F)C1 95933011 BBJACCZSJXCXSE-YUMQZZPRSA-N 203.257 2.402 0 40 BEAB in-vitro O=C(NCCC1CC1)NCC[C@@H]1CCCCO1 97055105 KMKHVTANTJNZME-LBPRGKRZSA-N 240.347 2.045 0 40 BEAB NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1 100310549 KMBYZBYRJLMRAY-RVMXOQNASA-N 243.306 2.017 0 40 BEAB COCCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1 110709664 YNCIHMZQODVMCV-SDDRHHMPSA-N 235.331 2.130 0 40 BEAB Cc1ccc(Br)n2ccnc12 167573915 DDJOYISGHIDELA-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB NC(=O)Nc1cccc(F)c1C(F)(F)F 169801677 QETSWMFQWHKKMX-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CCOC(=O)c1ccc(OC)c(F)c1F 238264896 QNHBFJCNMCDXCN-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB Cc1cc(-c2nc(C3(C)CC3)no2)cc(O)n1 351176548 QQWPQPZCQQVWDO-UHFFFAOYSA-N 231.255 2.197 0 40 BEAB Cc1ccc(N[C@H]2C=CS(=O)(=O)[C@H]2C)cc1 575419520 BLZAVRNYUJVOKP-JQWIXIFHSA-N 237.324 2.106 0 40 BEAB CN(C)C1CCC(Oc2ncccc2F)CC1 585654459 IFCBGIJLZBMWRH-UHFFFAOYSA-N 238.306 2.472 0 40 BEAB NC[C@@H](O)c1ccc(-c2ccco2)s1 1775974726 MYJJVZISWOKFMA-SSDOTTSWSA-N 209.270 2.000 0 40 BEAB CCC(=O)Nc1ccc(Br)cn1 262135 BBIDCRCDYZHCBN-UHFFFAOYSA-N 229.077 2.193 0 40 BEAB CCC(=O)c1cc2ccccc2oc1=O 424218 AOCROEIFZQWEJI-UHFFFAOYSA-N 202.209 2.386 0 40 BEAB biogenic COC(=O)c1ccccc1C1O[C@@H](C)[C@H](C)O1 1689197 BMVDTVSDUHVMLX-IUCAKERBSA-N 236.267 2.296 0 40 BEAB CCCO[C@H](CN)C(Cl)(Cl)Cl 1727688 VDMYOJJPIVHVOE-RXMQYKEDSA-N 220.527 2.111 0 40 BEAB CCOP(=O)(OCC)C(=O)C(C)C 3165013 BVJNLROKHOYRDH-UHFFFAOYSA-N 208.194 2.435 0 40 BEAB biogenic CC(=O)c1ccc(N2CCCC2=O)cc1 4207443 PKUMIGIYINMLHJ-UHFFFAOYSA-N 203.241 2.016 0 40 BEAB in-vitro C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)O 5608115 PKMQCFXRILFKFU-VIFPVBQESA-N 220.268 2.417 0 40 BEAB COc1ccc(CS[C@H](C)C(=O)O)cc1 6852759 GNTHNQABQYGUHG-MRVPVSSYSA-N 226.297 2.402 0 40 BEAB CCCCNC(=O)c1cccc(N)c1C 8703634 RRQBGAWFHKWPAN-UHFFFAOYSA-N 206.289 2.107 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12295967 TUBLGTZMWYAROQ-QMMMGPOBSA-N 248.282 2.145 0 40 BEAB C[C@@H]1CCCN(CN2CCC[C@@H](C)C2)C1 19202608 KLFHRQOZJWCFOI-CHWSQXEVSA-N 210.365 2.408 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(N)c2)C1 19259279 NRYJKVJXOIMLCQ-GHMZBOCLSA-N 232.327 2.387 0 40 BEAB CCCCNCc1nc2ccccc2[nH]1 19894619 GXGONWBURNYEHE-UHFFFAOYSA-N 203.289 2.453 0 40 BEAB COc1ccc(N)cc1C(=O)OC(C)(C)C 20155976 DGLNKYJPCLJXPU-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 23039764 DRXKPGOFEWGNPE-MWLCHTKSSA-N 247.294 2.442 0 40 BEAB N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 26895745 CFNAMLAVUTUGPM-VIFPVBQESA-N 220.099 2.376 0 40 BEAB in-vitro CN(C)c1ccc(C(=O)NCC2CCCC2)cn1 29924953 JUNRFSJFHUZZPR-UHFFFAOYSA-N 247.342 2.068 0 40 BEAB CC1(C)OC(=O)C[C@H]1CC(=O)Nc1ccccc1 35325914 WDYQWWGMVXNMHB-SNVBAGLBSA-N 247.294 2.357 0 40 BEAB COC(=O)[C@H](C(C)C)N1CCCC[C@H]1C 35655760 LGVTXLWASYUXKR-MNOVXSKESA-N 213.321 2.058 0 40 BEAB CCC(=O)NCc1c[nH]c2ccccc12 35993956 TVDFPPFHJQKLHY-UHFFFAOYSA-N 202.257 2.194 0 40 BEAB CC[C@@H](C)N[C@@H](C)c1nnc2ccccn12 36968960 IHBFLTPESZBDKW-ZJUUUORDSA-N 218.304 2.178 0 40 BEAB in-vitro C[C@H](N[C@H](C)c1nnc2ccccn12)C1CC1 36969077 HKLDDVPYJQNPNY-VHSXEESVSA-N 230.315 2.178 0 40 BEAB CS[C@H](C)C(=O)NCCc1cccs1 40093166 BDQQRYWTOXLTOJ-MRVPVSSYSA-N 229.370 2.158 0 40 BEAB COc1cc(OC)cc(-c2nnc(C)o2)c1 40350696 OCISOBONQLLKEY-UHFFFAOYSA-N 220.228 2.062 0 40 BEAB CC(C)NC(=O)CSC1CCCC1 41391445 VGQGTRTWIZIVRD-UHFFFAOYSA-N 201.335 2.187 0 40 BEAB O=C(O)c1cnc2ccccc2c1-n1ccnc1 41718608 VNDKBZDLKSQPAR-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB COCC(=O)c1c(F)c(F)c(F)c(F)c1F 43504951 ONBYVGAODWIXKJ-UHFFFAOYSA-N 240.127 2.211 0 40 BEAB C[C@H](NC(=O)Nc1cccnc1)C1CC1 48364915 PQTBNNANUFLZGG-QMMMGPOBSA-N 205.261 2.002 0 40 BEAB Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)[nH]n1 49047178 MUCKZXZPIOWOKL-VXGBXAGGSA-N 241.294 2.004 0 40 BEAB Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)[nH]n1 49047186 MUCKZXZPIOWOKL-NWDGAFQWSA-N 241.294 2.004 0 40 BEAB COc1ccc(CNC(=O)[C@H]2CC=CCC2)cn1 54484436 DLDOZCRRUMSTBS-LBPRGKRZSA-N 246.310 2.063 0 40 BEAB CCc1noc(CN(C)Cc2ccc(C)o2)n1 58311800 HLEABURYPVBKMA-UHFFFAOYSA-N 235.287 2.165 0 40 BEAB CCOc1cc(CC[C@H](C)O)ccc1O 62153406 URXXRBYISKXBBJ-VIFPVBQESA-N 210.273 2.104 0 40 BEAB Cc1ccc(CN(C(C)C)S(C)(=O)=O)s1 66002013 XEKVAMFGHNDZEW-UHFFFAOYSA-N 247.385 2.227 0 40 BEAB Oc1cccc(CNCC2(O)CCCCC2)c1 71924563 GUXAJFJNKLWXLL-UHFFFAOYSA-N 235.327 2.177 0 40 BEAB CN1CCC[C@H](Cc2ccc(Cl)nn2)C1 72363349 LPIPZUYOUQPPNJ-SECBINFHSA-N 225.723 2.014 0 40 BEAB Cc1nc([C@H]2CCCCN2C)cc(N(C)C)n1 72382318 XGMMQXPZGQGAIZ-GFCCVEGCSA-N 234.347 2.008 0 40 BEAB N[C@@H]1CCCC[C@H]1NCc1ccccc1F 72411142 BSEBPYRQKRQSIO-CHWSQXEVSA-N 222.307 2.185 0 40 BEAB Cc1cc(=O)n(C)cc1NC(=O)CCC(C)C 80381348 FKQDBDOVNFWGJB-UHFFFAOYSA-N 236.315 2.068 0 40 BEAB COc1ccc([C@H](NN)c2ccccc2)cc1 82295555 OCJAIGYCECSRGL-CQSZACIVSA-N 228.295 2.248 0 40 BEAB Nc1cnc(Nc2ccccc2)c(C(=O)O)c1 82541412 BRGJQUKKEZAVPY-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB O[C@@H]1Cc2ccccc2[C@H]1NCc1cccs1 85334430 VXRCVOULUBFHKG-ZIAGYGMSSA-N 245.347 2.496 0 40 BEAB Fc1cnc(Cl)nc1OC1CCC1 85754814 APUYEPKEAQVHKI-UHFFFAOYSA-N 202.616 2.200 0 40 BEAB COc1ccc(N2CCCC2=O)c(C)c1 95096597 JEZCCEOQISLINA-UHFFFAOYSA-N 205.257 2.130 0 40 BEAB CC(C)Cn1ncc(C(=O)O)c1OCC1CC1 95096625 DHCXSQKZMYLUII-UHFFFAOYSA-N 238.287 2.026 0 40 BEAB C[C@]1(CO)CCC[C@H]1Nc1cncc(Cl)n1 96427236 RXKUANIAFUEWSF-LDYMZIIASA-N 241.722 2.093 0 40 BEAB CC(C)N1CC[C@H](NCCC(C)(C)C)C1=O 97103949 VMFLUPCQCUWGNE-NSHDSACASA-N 226.364 2.022 0 40 BEAB CC[C@H](C)[C@H](C)NCC[C@@H]1CCCN1C 97109860 AFKDTYBFHJPVJE-AVGNSLFASA-N 212.381 2.495 0 40 BEAB CCCC(=O)N(C)c1nc2ccccc2n1C 97141778 MWHQSMMJMMFMQZ-UHFFFAOYSA-N 231.299 2.336 0 40 BEAB COCc1ccc([C@@H]2CCCN2C(=O)C2CC2)o1 97147889 WXCXOJBKMHVYJQ-LBPRGKRZSA-N 249.310 2.500 0 40 BEAB c1ccc(CN2C[C@@H]3CC[C@@H](C2)O3)cc1 100015773 FWPBWDMKQQRHHZ-STQMWFEESA-N 203.285 2.050 0 40 BEAB CCCNC(=S)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 100950742 NFUAHOFRICDJBM-MXWKQRLJSA-N 226.389 2.297 0 40 BEAB CCc1nsc(N2C[C@H]3[C@H](C2)C3(C)C)n1 102339346 DUFRWLZIHVFZCS-YUMQZZPRSA-N 223.345 2.193 0 40 BEAB COc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1 107902938 HEKQCJRMAGRVFU-STQMWFEESA-N 245.322 2.391 0 40 BEAB CC(C)CNC(=O)C1(c2ccc(N)cc2)CC1 125943728 NVJPRMSFPUWIHF-UHFFFAOYSA-N 232.327 2.073 0 40 BEAB CC(C)(C)Oc1ncnc(C(F)F)c1N 217642107 BZVIKWVHNUCODM-UHFFFAOYSA-N 217.219 2.174 0 40 BEAB CCOc1ccccc1N(CC)[C@H](C)C(=O)O 260677468 GAMBNLYMXYQROM-SNVBAGLBSA-N 237.299 2.385 0 40 BEAB Cc1ccc(CN2CCOC(C)(C)[C@H]2C)cn1 334406501 HXWOQNJKTWWROS-GFCCVEGCSA-N 234.343 2.389 0 40 BEAB CCCCOCc1ccn(CC(F)F)n1 408715480 RRXKLJPDSLNIQW-UHFFFAOYSA-N 218.247 2.465 0 40 BEAB Nc1ccc(OC(F)F)c(Br)n1 953061865 FQTMVDBNMIMZFC-UHFFFAOYSA-N 239.019 2.028 0 40 BEAB COc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)cc1 2574430 SRFOISVYVQZJQU-VXGBXAGGSA-N 248.278 2.379 0 40 BEAB CCn1cc(CNCc2cccc(OC)c2)cn1 2536068 BCNLPIXYZBMEEI-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCNC[C@@H]2C)c(C)c1 94345060 KRBNHAITKITMIX-JSGCOSHPSA-N 246.354 2.031 0 40 BEAB Nc1ccc(-c2ncc3n2CCCC3)cc1 12062421 DWAVZZPMTMHXDU-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB in-vitro CCCC(=O)Nc1nnc(-c2ccccn2)s1 46755218 RKMGIASNNUNWMX-UHFFFAOYSA-N 248.311 2.339 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccnc1 1456446 DYTNYPBYDDSYGQ-QWRGUYRKSA-N 218.300 2.485 0 40 BEAB CCNC(=O)Nc1nc2ccccc2s1 1732689 XITQIIBGCRJHAK-UHFFFAOYSA-N 221.285 2.438 0 40 BEAB Cc1nnc(-c2nc(-c3ccccc3)oc2N)o1 35681801 VUVVSBIYNHJYDA-UHFFFAOYSA-N 242.238 2.282 0 40 BEAB C[C@H]1CN(Cc2ccc(Cl)nc2)[C@H](C)CO1 35784500 QSNVIUKLAUHSNC-ZJUUUORDSA-N 240.734 2.344 0 40 BEAB O=C(O)/C=C/c1cc(Cl)c2c(c1)OCO2 4205844 JVQAFDBYQZAWNY-OWOJBTEDSA-N 226.615 2.167 0 40 BEAB in-vitro CCc1cc2c(=O)n(C)c(=S)[nH]c2s1 6496867 KGHKMMOAANAPLU-UHFFFAOYSA-N 226.326 2.220 0 40 BEAB in-vitro COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 18166831 SJAHLWMIVWUWKH-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB in-vitro COC(=O)c1c(Cl)ncn1-c1ccccc1 69949520 BGDYGSKHJAWQHJ-UHFFFAOYSA-N 236.658 2.312 0 40 BEAB Cc1ccc(C)c([C@H](O)CNC(C)C)c1 5765313 PHFWPIKQCFQPJY-CYBMUJFWSA-N 207.317 2.335 0 40 BEAB in-vitro C[C@H](NCC(N)=O)c1ccc(Cl)cc1Cl 15447485 ISHPXUDOHITYNA-LURJTMIESA-N 247.125 2.129 0 40 BEAB CCOc1ccc(NC(C)=O)cc1OC 8883532 HMSXBDDWOWEFCL-UHFFFAOYSA-N 209.245 2.052 0 40 BEAB CCn1nc(C)c(CNCC(C)C)c1C 19737121 SEZGWOUJYXTBJN-UHFFFAOYSA-N 209.337 2.265 0 40 BEAB Cc1cccnc1CNC(=O)c1cccs1 71847812 IWHXWDIGYIZPSL-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC(C)COC(=O)C[C@@H](CN)CC(C)C 83862718 UHJPYEKKVCDQIT-NSHDSACASA-N 215.337 2.197 0 40 BEAB COC(=O)CCc1cccc2cnccc12 72206982 JJKASTZXQCRUKR-UHFFFAOYSA-N 215.252 2.340 0 40 BEAB in-vitro Cc1nc(C)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)o1 74031162 OZLBVOGJMVJMBC-AOOOYVTPSA-N 234.299 2.019 0 40 BEAB Clc1ccc2c(c1)OCC[C@]21CCN1 306145357 CIEQKRWKNFQKTM-LLVKDONJSA-N 209.676 2.311 0 40 BEAB NCCCn1c(C2CC2)nc2ccccc21 20223193 LMEITWWKEGNSIW-UHFFFAOYSA-N 215.300 2.263 0 40 BEAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cccc(F)c1 19575140 GETWVEJSRHTUMV-IUODEOHRSA-N 248.345 2.494 0 40 BEAB Cc1cc([C@H](N)c2ccccc2)cnc1N 72222050 AJOPGFUJTVEEOR-GFCCVEGCSA-N 213.284 2.020 0 40 BEAB O=c1ccnc(-c2ccccc2Cl)[nH]1 36882118 SCXPWJXIJGHBSP-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB NC[C@H]1CC(c2cccc3ccccc23)=NO1 70434924 BMEJFQMDLZEKEL-LLVKDONJSA-N 226.279 2.292 0 40 BEAB CCc1cccc(CC)c1NC(=O)/C=C\C(=O)O 31723529 HPUZNWHASPOJPF-HJWRWDBZSA-N 247.294 2.391 0 40 BEAB C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2N)C1 216767826 UGCJLVZPBOHKRY-AOOOYVTPSA-N 219.332 2.333 0 40 BEAB NCCn1ccc(-c2ccc(Cl)cc2)n1 44249872 BPEJZDGHJVPDDO-UHFFFAOYSA-N 221.691 2.162 0 40 BEAB COc1cccc(CC2CC(C(=O)O)C2)c1 84012432 KFYJSGBKEYHQMT-UHFFFAOYSA-N 220.268 2.349 0 40 BEAB CC(=O)N1CCS/C1=C/c1csc(C)n1 225259856 XGQPECKVJQEZEA-BJMVGYQFSA-N 240.353 2.345 0 40 BEAB CS[C@H](C)CNC[C@@H]1CCSC1 224466849 JQDJSODWXKHBOI-BDAKNGLRSA-N 205.392 2.081 0 40 BEAB CCn1cc(OCC[C@H]2CCCCO2)cn1 225710821 XSASSZMVHXBUQW-LLVKDONJSA-N 224.304 2.241 0 40 BEAB CC(C)C[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 144371247 FSXUSDAPZUNAFB-QWRGUYRKSA-N 243.347 2.403 0 40 BEAB Cn1cc(N)c(Oc2ccc3c(c2)CCC3)n1 95836628 XFQMKOWLFIWPID-UHFFFAOYSA-N 229.283 2.283 0 40 BEAB CO/C=C(\F)C(=O)Nc1cccc(OC)c1 98175018 UVCOPCHMMDPZKF-YFHOEESVSA-N 225.219 2.091 0 40 BEAB CCCCCNCc1ccnn1CCF 256051968 LHXAXVHNCHTGSN-UHFFFAOYSA-N 213.300 2.132 0 40 BEAB O=C(O)c1cnc(Nc2ccc(F)cc2)nc1 71536666 ZPZWNBVAICISJB-UHFFFAOYSA-N 233.202 2.058 0 40 BEAB Cc1cccc(OC2CN(CC(F)(F)F)C2)n1 1889070769 SHNZAGIRWVELIK-UHFFFAOYSA-N 246.232 2.015 0 40 BEAB Brc1cncc2ncccc12 11919339 WNFILKMJRFZJBF-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1C 12984711 FTVIOYWIJQZVJZ-KWQFWETISA-N 247.294 2.376 0 40 BEAB Cc1cn[nH]c1[C@]1(C)CN(C2CCCC2)CCO1 205673879 QKHUTFHOKRHHRE-AWEZNQCLSA-N 249.358 2.208 0 40 BEAB CC(C)NC(=O)CCOc1ccc(F)cc1 40069945 FWOFAMLVUOSBMX-UHFFFAOYSA-N 225.263 2.119 0 40 BEAB CN1[C@H]2CC[C@H]1CC(NCc1ccccc1)C2 100012691 IJBWOPMYRYEKGI-GJZGRUSLSA-N 230.355 2.401 0 40 BEAB Nc1ncccc1C(=O)NC1CCCCCC1 50201464 KNVMQSLMCZXYOD-UHFFFAOYSA-N 233.315 2.116 0 40 BEAB Cc1cccc(C)c1NC(=O)N(CCO)C1CC1 40526391 ZFCQPVLZGNODPY-UHFFFAOYSA-N 248.326 2.292 0 40 BEAB CC(=O)O[C@H]1CN2CC[C@@H]1[C@H](c1ccccc1)C2 306970 HZJHUAKXMXQRMD-ILXRZTDVSA-N 245.322 2.037 0 40 BEAB CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 971127 BWHINKGPXZCANE-UHFFFAOYSA-N 220.297 2.036 0 40 BEAB NC(=O)Cc1ccc(C(=O)c2ccccc2)s1 1400970 JMFLTSIPMSNZOD-UHFFFAOYSA-N 245.303 2.007 0 40 BEAB Nc1ncnc2c1ncn2-c1ccc(Cl)cc1 1562350 PSSWYIZTJIVGSL-UHFFFAOYSA-N 245.673 2.051 0 40 BEAB CC/C=C/C(CC)(C(=O)OCC)C(=O)OCC 1600405 LXXABLYRTVFGIJ-MDZDMXLPSA-N 242.315 2.475 0 40 BEAB Cc1ccccc1NC(=O)CNCC(C)C 1671771 CVFJBMDFMYGJME-UHFFFAOYSA-N 220.316 2.179 0 40 BEAB CCC(=O)[C@@H](CCN(C)C)c1ccccn1 1675577 ONGSHSURLCLNGD-NSHDSACASA-N 220.316 2.096 0 40 BEAB O[C@@H](c1ccc2ccccc2n1)[C@H]1CCCCN1 1730920 LSNMFZBXDRDBIG-UKRRQHHQSA-N 242.322 2.410 0 40 BEAB Cc1nc2ccccc2n1[C@@H]1CCCNC1 2577400 DUKNGBYLXZMJCK-LLVKDONJSA-N 215.300 2.269 0 40 BEAB C[C@H]1CN(C(=O)CC2CCCC2)C[C@H](C)O1 3258470 NPSIAOPIMUGOAK-QWRGUYRKSA-N 225.332 2.203 0 40 BEAB O=C(NO)Oc1cccc2ccccc12 4362869 QGQGWBYPKGXXQT-UHFFFAOYSA-N 203.197 2.317 0 40 BEAB CNC(=O)Nc1cc2c3c(c1)CCCN3CCC2 5549836 ZFFAARNDSWKVLX-UHFFFAOYSA-N 245.326 2.137 0 40 BEAB O=C1c2ccccc2CCc2cccnc21 5934826 PDPKDRIXAIQZAV-UHFFFAOYSA-N 209.248 2.411 0 40 BEAB in-vitro O=C(Cn1ccnc1)Nc1cccc(Cl)c1 10809310 SMCWLOCXACKHIN-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Cc1ccc([C@H](O)C2CCNCC2)cc1 11630772 GDGAWVYEBYVDJL-ZDUSSCGKSA-N 205.301 2.028 0 40 BEAB CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1 11959388 MTDRXQDDWPFCEW-YPMHNXCESA-N 234.343 2.018 0 40 BEAB CC(C)[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)O 13942059 RAQMKACVSPTXNB-GARJFASQSA-N 241.331 2.038 0 40 BEAB CCOc1cc(CN)ccc1OC(C)C 20130504 BLJODVOXNHXEKY-UHFFFAOYSA-N 209.289 2.331 0 40 BEAB Fc1ccccc1COC[C@@H]1CCCNC1 28521950 OOUSAOAGASYHFD-LLVKDONJSA-N 223.291 2.342 0 40 BEAB Cc1csc(CCNC(=O)CC(C)C)n1 31848998 NNCGXQNWCAMHBD-UHFFFAOYSA-N 226.345 2.156 0 40 BEAB CC[C@@H](C)C(=O)Nc1cc(C)nn1CC 32647800 MLFBEORSZIVNRZ-MRVPVSSYSA-N 209.293 2.196 0 40 BEAB CN(C)C(=O)CSc1ccccc1F 32738710 KAFGLUUIXPBYGG-UHFFFAOYSA-N 213.277 2.006 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCO2)c(C)c1 32748070 WNGVYASWGAAWEL-AWEZNQCLSA-N 247.338 2.441 0 40 BEAB Cc1ccc(CNCCOc2ccccn2)o1 35287295 IGBQNNRPOKYBHF-UHFFFAOYSA-N 232.283 2.152 0 40 BEAB CCNCc1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 36281147 NWEZDVJLJHUQHN-GXFFZTMASA-N 232.327 2.391 0 40 BEAB Nc1nc(-c2cccc(Cl)c2)ns1 36753208 HKUJGFWNXMTAPM-UHFFFAOYSA-N 211.677 2.441 0 40 BEAB in-vitro Cc1nn(C)c2ncc(NC(C)C)cc12 37084848 ISNUTYMBBJISHE-UHFFFAOYSA-N 204.277 2.097 0 40 BEAB CNC(=O)c1ccc(-c2ccccc2)o1 38212736 HSHQEVHUYMVGBD-UHFFFAOYSA-N 201.225 2.306 0 40 BEAB CC(C)c1ccccc1NC(=O)C(=O)NC1CC1 42646346 VQYKXRBPIOXYTF-UHFFFAOYSA-N 246.310 2.027 0 40 BEAB COc1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775199 VBSRIADXZLWBDA-JTQLQIEISA-N 241.718 2.479 0 40 BEAB Brc1ccc(C2CCNCC2)cn1 44121992 HDAXXOGIBXYALT-UHFFFAOYSA-N 241.132 2.311 0 40 BEAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CC1 48809711 CXTQCBHSLRZNCN-UHFFFAOYSA-N 245.257 2.360 0 40 BEAB O=C1NCCNc2c1cnc1c(Cl)cccc21 53994736 KKUYROCIDGLTLT-UHFFFAOYSA-N 247.685 2.044 0 40 BEAB COc1ccnc(N2CCc3ccc(F)cc32)n1 58553971 VFHGBDMJWOJUJS-UHFFFAOYSA-N 245.257 2.319 0 40 BEAB O=C(O)[C@H]1O[C@H]1c1ccc(C(F)(F)F)cc1 62711017 ZDLLJVUVFZWVIE-YUMQZZPRSA-N 232.157 2.230 0 40 BEAB CCn1cc(NC(=O)C2CCCCC2)cn1 65535452 MSTPUFAERVXERC-UHFFFAOYSA-N 221.304 2.422 0 40 BEAB O=C(CSc1ccc(F)c(F)c1)N1CCC1 69349144 PINUTWYQGKLLFU-UHFFFAOYSA-N 243.278 2.289 0 40 BEAB CC(C)NC(=O)c1c[nH]nc1-c1ccccc1 70248390 JLBLNIVPURLDQP-UHFFFAOYSA-N 229.283 2.215 0 40 BEAB Nc1nccc(-c2cccc3ncccc23)n1 72207326 PSLDTHOBNHPTQU-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB C[C@H](N)c1ccc(N2CCCCCC2)nc1 72225474 LYGULMRXVXTWAJ-NSHDSACASA-N 219.332 2.482 0 40 BEAB O=C(O)CCc1nc(C(F)(F)F)cs1 83253361 XFAXRLKFHTXSJE-UHFFFAOYSA-N 225.191 2.179 0 40 BEAB CCn1c(C)nc2c(C(=O)O)cccc21 83254272 HRXPIHSUXZLCDR-UHFFFAOYSA-N 204.229 2.063 0 40 BEAB CCc1nnc(CSCc2cc(C)on2)o1 89296267 VZYQCXNOOXTSQH-UHFFFAOYSA-N 239.300 2.362 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(CNc2ccccc2)n1 95534732 QMYCTJZEJVQECS-LBPRGKRZSA-N 245.330 2.073 0 40 BEAB CCCN(CC1CC1)C(=O)c1n[nH]c2c1CCC2 95949466 VEBPCORRAPNIBL-UHFFFAOYSA-N 247.342 2.161 0 40 BEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCCC1)CC2=O 100640154 DYEOYMXPFGTZNY-GJZGRUSLSA-N 249.354 2.394 0 40 BEAB Cc1cc(C(=O)N2Cc3ccccc3C2)no1 105980289 AOMLEVFZELHVAT-UHFFFAOYSA-N 228.251 2.139 0 40 BEAB c1cc([C@H]2CCCN(Cc3cncs3)C2)[nH]n1 121187296 NDGZPNSUNNAHRK-JTQLQIEISA-N 248.355 2.246 0 40 BEAB Cc1cnc(Nc2cccnc2)c(N)c1 225394924 HAZQNRMVMLENNK-UHFFFAOYSA-N 200.245 2.111 0 40 BEAB COC(=O)C(=O)c1cc(C)ccc1Cl 260116137 LMYUEQZKJXLYIO-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21 536948754 VFRUKJZCIJIQFD-SZEHBUNVSA-N 224.101 2.046 0 40 BEAB CC[C@@H](C)N1CCC[C@@]2(CN(C(C)C)C2=O)C1 585099691 YIKDKAUOMQAHCL-OCCSQVGLSA-N 238.375 2.118 0 40 BEAB Clc1cnc(NCCc2ccoc2)nc1 692749877 ARGMGSBVNXQQJI-UHFFFAOYSA-N 223.663 2.378 0 40 BEAB CC(=O)COCC(F)(F)[C@H](F)C(F)(F)F 1083807090 ZMAWQFRCMTVDBG-YFKPBYRVSA-N 238.127 2.128 0 40 BEAB CC(C)(C)c1ccc(OCC2CCNCC2)nn1 1888834406 UDUMTQUCWRRMRN-UHFFFAOYSA-N 249.358 2.153 0 40 BEAB COc1ccc(CNC2CCCC2)cc1O 35162 LLBZOPCUDSZSNX-UHFFFAOYSA-N 221.300 2.433 0 40 BEAB Cn1c(S)nnc1CSc1ccccc1 126548 VAAKURABAPVEEN-UHFFFAOYSA-N 237.353 2.396 0 40 BEAB CC(=O)c1coc2ccc(OCC(=O)O)cc12 380725 WKBUOKFWRRIHDJ-UHFFFAOYSA-N 234.207 2.099 0 40 BEAB O=C(O)c1ccc2ccccc2c1C(=O)O 1571200 KYTZHLUVELPASH-UHFFFAOYSA-N 216.192 2.236 0 40 BEAB CCCOC(=O)Nc1cccc(C(=O)O)c1 1800713 MOJJJANIBGZDGJ-UHFFFAOYSA-N 223.228 2.343 0 40 BEAB Cc1ccc2c(c1NC(N)=S)CCCN2 2384388 YYAUBNMHLUTUHY-UHFFFAOYSA-N 221.329 2.009 0 40 BEAB CNCC(=O)Nc1ccc(Cl)c(Cl)c1 3335902 YPKYDNXXHOGBMD-UHFFFAOYSA-N 233.098 2.151 0 40 BEAB in-vitro Cc1cccc(C)c1CN1CCC[C@H]1C(=O)O 3748082 VOCFXYDRCRGQNS-ZDUSSCGKSA-N 233.311 2.352 0 40 BEAB O=C1C(c2ccccn2)=Nc2ccccc21 3845013 BXNDNLWSOCORNP-UHFFFAOYSA-N 208.220 2.399 0 40 BEAB biogenic CCC(=O)Nc1nnc(-c2ccccc2OC)o1 4329776 MNCFRIJXYMTWED-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB Cn1nc(-c2ccc(Cl)cc2)ccc1=O 5388419 ROCWBKMLZYRDCC-UHFFFAOYSA-N 220.659 2.101 0 40 BEAB Nc1c(C(=O)CCC(=O)O)oc2ccccc12 5685469 NZYXZRYWWZVULL-UHFFFAOYSA-N 233.223 2.063 0 40 BEAB N[C@@H](c1ccc(F)cc1)c1cccnc1 8699683 PZMFBSOVJATATC-LBPRGKRZSA-N 202.232 2.269 0 40 BEAB in-vitro CCc1ccc(CCC(=O)N[C@@H](C)COC)cc1 10333676 RMEFFYWAASSKDG-LBPRGKRZSA-N 249.354 2.333 0 40 BEAB COc1cccc(NC(=O)NN2CCCCC2)c1 11562472 ZIFUODAKAFDCDZ-UHFFFAOYSA-N 249.314 2.218 0 40 BEAB CC(C)C(=O)N[C@@H](C)Cc1ccccc1 12346305 NCRGPXPYOYEXQT-NSHDSACASA-N 205.301 2.390 0 40 BEAB O=C(O)c1cccnc1SCC(F)(F)F 12505448 NUMLYCZMZZNMCW-UHFFFAOYSA-N 237.202 2.434 0 40 BEAB CC(=O)C[C@@H]1CCN(c2ccccc2)N1C(C)=O 18193441 XBFCILSNIACEGD-AWEZNQCLSA-N 246.310 2.008 0 40 BEAB NC(=S)Cc1ccc(F)c(Br)c1 19406627 GOLFXNQBZQCQLL-UHFFFAOYSA-N 248.120 2.417 0 40 BEAB COCCCNCCOc1ccccc1Cl 19738579 XNJNZRAYUZZNBP-UHFFFAOYSA-N 243.734 2.345 0 40 BEAB COc1cccc(CNC(=O)c2ccoc2)c1 21840447 ACOTYYQPTXDGBL-UHFFFAOYSA-N 231.251 2.218 0 40 BEAB NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 26160331 HVTQWFVIFXGMEQ-CYBMUJFWSA-N 232.327 2.089 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1nc2ccccc2o1 34926283 ZZTHDEKCVGNAJD-RNFRBKRXSA-N 203.197 2.016 0 40 BEAB CC[C@H]1CCCN1c1cc(C(=O)O)ccn1 37915260 CEWWIYDZHOSPDG-JTQLQIEISA-N 220.272 2.159 0 40 BEAB in-vitro COc1cc(F)c(F)cc1/C=C/C(=O)O 39712922 GODWXUATTLOTOJ-NSCUHMNNSA-N 214.167 2.071 0 40 BEAB CC(C)Cn1nccc1NC(=O)c1ccco1 40047286 DIYNNZOZKJFZNZ-UHFFFAOYSA-N 233.271 2.384 0 40 BEAB CON(C)C(=O)c1cc(C)nc2cc(F)ccc12 40506295 NHQMUNNUZYXEBN-UHFFFAOYSA-N 248.257 2.316 0 40 BEAB C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 40635418 BOUIDUCSDPPCPV-LLVKDONJSA-N 235.283 2.044 0 40 BEAB CCc1ccc(OC[C@H]2CCNC2)cc1 42773316 XMJMOKDDIYHANS-LBPRGKRZSA-N 205.301 2.237 0 40 BEAB COc1cccc(Nc2cc(C)nc(N)n2)c1 49468248 UQTRAWKSOJFBEO-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB NCCCc1nc(-c2ccncc2)cs1 54139535 PMPNYTSNRRCRAM-UHFFFAOYSA-N 219.313 2.096 0 40 BEAB in-vitro CC1(C)CN(c2ccc(F)cc2)CCN1 58439773 IGYKBURELAZNQI-UHFFFAOYSA-N 208.280 2.014 0 40 BEAB CCCNc1ncc(CNCc2ccco2)cn1 62717706 ZIQNPEGJLFYSMV-UHFFFAOYSA-N 246.314 2.181 0 40 BEAB CCC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)C 68334641 IVZCPOVMYHCTIT-RYUDHWBXSA-N 228.380 2.268 0 40 BEAB Cc1cnn(C2CN(CC3CCCC3)C2)c1 70021536 GDVNHDKBIIVOJL-UHFFFAOYSA-N 219.332 2.238 0 40 BEAB CNCc1ccc(NC(C)(C)C)nc1C 72225025 WSIHPRBOFLZBKM-UHFFFAOYSA-N 207.321 2.320 0 40 BEAB CCCC(=O)N1CCC[C@@H]1c1cc(=O)cc(C)[nH]1 72361205 VHZLXISCYNHOAE-CYBMUJFWSA-N 248.326 2.147 0 40 BEAB O=C(O)C1(c2cccc(F)c2F)CCC1 75934004 CHAXHNCCIXOGSE-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB C[C@@H](c1ccccn1)N(C)C(=O)c1cscn1 78482747 DFFXZVXCRWLADB-VIFPVBQESA-N 247.323 2.371 0 40 BEAB Cc1ncoc1C(=O)OCc1ccccc1 82046617 NALGHKDUINONLB-UHFFFAOYSA-N 217.224 2.340 0 40 BEAB O=C(c1ccon1)N1CCC[C@@H]2CCC[C@@H]21 89885163 CTGCHRKFARXKHM-ONGXEEELSA-N 220.272 2.079 0 40 BEAB OC[C@H](NC[C@@H]1CC=CCC1)c1ccco1 95434065 WLAFVRDODRRNAI-NEPJUHHUSA-N 221.300 2.259 0 40 BEAB C[C@@H]1CC[C@@H](C(=O)Nc2cc(O)cc(F)c2)O1 95450289 ZTASEZBMIDZFTR-HQJQHLMTSA-N 239.246 2.037 0 40 BEAB C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccoc1 96469150 NQJWKPJZFOIUEU-VIFPVBQESA-N 247.250 2.264 0 40 BEAB COc1ccc(C2(O)CCC(C)(O)CC2)cc1 96509973 OHTDCUZQDKMRDW-UHFFFAOYSA-N 236.311 2.208 0 40 BEAB CCN(CC)CCN[C@H]1CCC[C@@H](C)C1 97050802 GKBWQQSWLKFEGV-OLZOCXBDSA-N 212.381 2.497 0 40 BEAB Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H](C)O)C2)c1 97108011 FLBRRUWTPZNXCW-QWHCGFSZSA-N 247.338 2.000 0 40 BEAB CC(C)c1ccc(N2C(=O)[C@H]3C[C@@H]3C2=O)cc1 100935609 OTHLLNJMIBXXIT-RYUDHWBXSA-N 229.279 2.319 0 40 BEAB CC(C)(C)c1ccc2c(c1)C[C@H](CN)O2 218746335 XSMWHWHUOXVWEX-LLVKDONJSA-N 205.301 2.246 0 40 BEAB COC1CN(c2nc3ccccc3s2)C1 253472674 OKIUSBYBZJJBGN-UHFFFAOYSA-N 220.297 2.131 0 40 BEAB Nc1ccccc1OC[C@@H](F)C(F)F 256053888 UARBSKGIINEVEN-ZCFIWIBFSA-N 205.179 2.251 0 40 BEAB O=C(NC1CCC(F)(F)CC1)c1ccccn1 334720152 ZIIFADNGSPEZIZ-UHFFFAOYSA-N 240.253 2.389 0 40 BEAB CCN1C(=O)S/C(=C/c2ccoc2)C1=O 409100363 UTOOXRGTWDUPOF-VMPITWQZSA-N 223.253 2.336 0 40 BEAB Cc1cc2c(O[C@H](C)C(F)(F)F)nccn2n1 585651279 CAHYYYPWWSKOCA-SSDOTTSWSA-N 245.204 2.367 0 40 BEAB O=c1[nH]ncc(NC2CCCCC2)c1Cl 138611 NZCMCIXEVFXXOS-UHFFFAOYSA-N 227.695 2.168 0 40 BEAB CCN(CC)C(=O)c1[nH]c(C)c(C(C)=O)c1C 429524 LTVMKSIPSCOLSD-UHFFFAOYSA-N 236.315 2.316 0 40 BEAB CC(C)[C@H]1Cc2c(sc3ncnc(N)c23)CO1 554558 RAKUADSVVIGOAT-MRVPVSSYSA-N 249.339 2.371 0 40 BEAB Cc1cccc(OCC(=O)N2CCCCC2)c1 584322 LBSRICZHWRGMSO-UHFFFAOYSA-N 233.311 2.386 0 40 BEAB CCCCOC(=O)c1ccc(-n2cncn2)cc1 1792198 VQSXWAMYGWIXAG-UHFFFAOYSA-N 245.282 2.224 0 40 BEAB C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)OC(C)(C)C 2527157 TZNCDXAIDIETKV-RKDXNWHRSA-N 243.303 2.107 0 40 BEAB COc1ccc(OCc2csc(N)n2)cc1 3885557 CKPKSYMUFZYYSW-UHFFFAOYSA-N 236.296 2.313 0 40 BEAB CC1CCN(CC[C@@H]2CCCCN2)CC1 4312807 PHATVJZYDAORTL-ZDUSSCGKSA-N 210.365 2.251 0 40 BEAB COc1cccc(CSCCC(=O)O)c1 6847988 QDVOMIKDHGKHHU-UHFFFAOYSA-N 226.297 2.403 0 40 BEAB CC(C)CSc1ncc(/C=C/C(=O)O)cn1 8730884 REGLFNZZBQYFBS-ONEGZZNKSA-N 238.312 2.323 0 40 BEAB CCn1cc(CCN)c2cc(OC)ccc21 8993357 CFYNAZDIGAFTFW-UHFFFAOYSA-N 218.300 2.171 0 40 BEAB CNCc1cc(Br)cs1 11920628 NAVCVBRGBJGGFK-UHFFFAOYSA-N 206.108 2.230 0 40 BEAB in-vitro CC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 12399131 CEOHCOYTMHLYST-UHFFFAOYSA-N 232.205 2.368 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1C 12984713 FTVIOYWIJQZVJZ-LDYMZIIASA-N 247.294 2.376 0 40 BEAB CC(=O)c1ccccc1OCCCC(=O)O 13609217 GKQDMBJOJUXRKT-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB O=C(CNC1CC1)Nc1ccc(Cl)cc1 19280404 FOOZGTYZKQYJPE-UHFFFAOYSA-N 224.691 2.031 0 40 BEAB Nc1cc(NC(=O)[C@H]2CCCO2)ccc1Cl 20157160 JQKCJILTKBDZSH-SNVBAGLBSA-N 240.690 2.040 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](N)CC12CCC2 20285591 VMQKCXQYZGGLIC-JTQLQIEISA-N 240.347 2.267 0 40 BEAB CC(C)c1noc(-c2cccc(N)c2)n1 21500569 VJHKKOQLSTYYOU-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB CNC(=O)c1cccc2c(C)c(C)[nH]c12 32796764 IFBIVWDQQOQECY-UHFFFAOYSA-N 202.257 2.144 0 40 BEAB Cc1cccc(CNCc2c[nH]nc2C)c1 35273952 WGJAFWDGCBUSFO-UHFFFAOYSA-N 215.300 2.316 0 40 BEAB CN1CCC(O)(c2cccc(Cl)c2)CC1 38953171 BLBPQYXWLFOJCX-UHFFFAOYSA-N 225.719 2.253 0 40 BEAB Cc1ccc(NC(=O)CC[C@H]2CCCO2)nc1 40086534 CXODMMFNZZDGOP-LLVKDONJSA-N 234.299 2.288 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCC[C@H](C)C1 42377267 HXAONISEVMJLBU-RYUDHWBXSA-N 227.348 2.306 0 40 BEAB Cc1ccc(C)c(OC[C@@H]2CCNC2)c1 42772581 VCDZFELMGRLXKE-GFCCVEGCSA-N 205.301 2.292 0 40 BEAB COc1cc(OC)cc([C@@H](O)C(F)(F)F)c1 43367954 WYAXGRFRCSESBP-SECBINFHSA-N 236.189 2.300 0 40 BEAB Cc1cc(F)ccc1N1CCC[C@@H](N)C1 43470551 UTLDLISFEIXNHH-LLVKDONJSA-N 208.280 2.062 0 40 BEAB in-vitro COc1ncccc1NC(=O)C[C@H]1C=CCC1 47554094 SCHDUQCXDQJRFQ-JTQLQIEISA-N 232.283 2.385 0 40 BEAB Brc1cccc(CC2CNC2)c1 49820343 PWXAPCQIYHZHMY-UHFFFAOYSA-N 226.117 2.211 0 40 BEAB in-vitro CC(=O)c1c[nH]c2cc(Cl)ccc2c1=O 62721874 KVCSSLTZHSEKDS-UHFFFAOYSA-N 221.643 2.384 0 40 BEAB C[C@]1(C(=O)O)CCCN(CCc2ccccc2)C1 62876650 YALCBCJHFQYEBE-HNNXBMFYSA-N 247.338 2.416 0 40 BEAB O=C(O)c1ccc(-c2cc(F)ccc2O)nc1 65347505 MZBLSKOTRMDMLK-UHFFFAOYSA-N 233.198 2.292 0 40 BEAB C[C@@H]1C[C@H]1COC(=O)c1ccnc(F)c1 71803626 OQXFFLQCCBMQSL-APPZFPTMSA-N 209.220 2.034 0 40 BEAB CC(C)=CC(=O)O[C@@H]1CCC[C@H]1n1cccn1 71803837 DAMDPTNXGKZIND-VXGBXAGGSA-N 234.299 2.486 0 40 BEAB c1ccc2oc(N3CC(n4cccn4)C3)nc2c1 71859655 XPQXJRXJUASLSQ-UHFFFAOYSA-N 240.266 2.086 0 40 BEAB CCn1nc(C)c2nc(C(C)C)nc(N(C)C)c21 72238324 ABPKKDFRBREHLH-UHFFFAOYSA-N 247.346 2.344 0 40 BEAB CC(C)N1CCC[C@H](Cc2nccn2C)C1 72356982 HDZMXGIFJMATSD-GFCCVEGCSA-N 221.348 2.083 0 40 BEAB COc1ccc2c(c1)CCC[C@@]21CCN1 84179070 HYNZVFUZJDJRNU-CYBMUJFWSA-N 203.285 2.220 0 40 BEAB CCCOc1cc(CCO)ccc1OC 95732094 DYVITSKREVOMRG-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB CCSC1(CNC(C)C)CCOCC1 95987941 FNMNLZBGGFGICY-UHFFFAOYSA-N 217.378 2.287 0 40 BEAB COc1c(C(=O)O)oc2c(C)cccc12 96510815 HLHQJNUDPWEIFN-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB CC(=O)O[C@H]1[C@H]2SC[C@@H]3CC[C@@H]4C[C@@H]1[C@H]4[C@H]23 101042999 BONMBFVZKGKDFQ-ANJQRKRZSA-N 238.352 2.326 0 40 BEAB COc1ccc([C@@H]2[C@H](CO)CCCN2C)cc1 101397736 FGKFSGZEKVATDB-GXTWGEPZSA-N 235.327 2.070 0 40 BEAB O=C(NC1CC1)N1CCC[C@H]1C1CCC1 102901535 HMRVCNTWLAUVID-NSHDSACASA-N 208.305 2.123 0 40 BEAB CC(C)Cn1cc([C@H]2CCCCN2)cn1 225775452 KYEMTMCELROSOM-GFCCVEGCSA-N 207.321 2.354 0 40 BEAB Cc1cccnc1OCc1cncs1 585654406 HSQGCMWJYPVWDJ-UHFFFAOYSA-N 206.270 2.426 0 40 BEAB Fc1cccnc1OC[C@@H]1CCCOC1 585655060 XWQHEPSUUOMYDB-SECBINFHSA-N 211.236 2.026 0 40 BEAB O=C(C1CC(F)(F)C1)N1CCC(F)(F)CC1 684517463 LDTOIEYEJSVXDK-UHFFFAOYSA-N 239.212 2.289 0 40 BEAB O=C1[C@@H](N2CCCCC2)CCN1c1ccccc1 287 TYGVJQQISVEFSH-AWEZNQCLSA-N 244.338 2.278 0 40 BEAB in-man Cn1cnc2c(Nc3ccccc3)ncnc21 4055 STTSYIXNIOADQX-UHFFFAOYSA-N 225.255 2.107 0 40 BEAB in-vivo Cc1cc(C)cc(OCc2nnc(N)s2)c1 52516 QZBLPRBQNVTFNK-UHFFFAOYSA-N 235.312 2.316 0 40 BEAB c1cc(-c2noc(-c3ccncc3)n2)ccn1 426183 HWEIVBYEBBNHAK-UHFFFAOYSA-N 224.223 2.194 0 40 BEAB Cc1nn(C(=O)c2ccncc2)c(C)c1Cl 1000004 YCKMMEWZFSKOHG-UHFFFAOYSA-N 235.674 2.237 0 40 BEAB CN1Cc2ccc(Br)cc2C1 1727277 MOUHJQRCBSCPEX-UHFFFAOYSA-N 212.090 2.395 0 40 BEAB in-vitro CCN(N)C(=S)Nc1ccc(Cl)cc1 3246027 JNKJEKUKNDGBJF-UHFFFAOYSA-N 229.736 2.232 0 40 BEAB C/C=C/C(=O)OCC(=O)Nc1cc(C)ccc1C 3390157 NMMATILOKNOFNM-SNAWJCMRSA-N 247.294 2.361 0 40 BEAB Cn1cc(-c2nc3ccccc3s2)c(N)n1 4073056 WIJYBXNKRHTNSW-UHFFFAOYSA-N 230.296 2.279 0 40 BEAB O=c1sc2ccccc2n1C[C@H]1CS1 5396975 DICUZNMOOWBTLR-ZETCQYMHSA-N 223.322 2.178 0 40 BEAB C[C@H](C(N)=O)N(C)Cc1ccc2ccccc2c1 7500516 QEIFIMZJQMWYSP-LLVKDONJSA-N 242.322 2.145 0 40 BEAB COc1ccc([C@H](N)c2cccnc2)cc1 8699684 XUKDXAGGXGAMBG-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB CCC(=O)Nc1onc2c1C[C@H](C)CC2 11917210 CJGBICUAMTXNIG-SSDOTTSWSA-N 208.261 2.148 0 40 BEAB CCC(=O)NCCCc1cccc(OC)c1 13755749 VVTCACGOXCPEPB-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB in-vivo Cc1ccccc1-c1cc(=O)n2c(n1)SCC2 14608409 PWFXJENZDACTJR-UHFFFAOYSA-N 244.319 2.324 0 40 BEAB Fc1ccc(COCC2CCNCC2)cc1 14631397 AGHACFWAYCXLJR-UHFFFAOYSA-N 223.291 2.342 0 40 BEAB COC(=O)/C=C/c1ccc(Cn2ccnc2)cc1 15022126 FTLRFDGBBQSQMJ-VOTSOKGWSA-N 242.278 2.118 0 40 BEAB CCCCN(C)C(=O)c1ccc(OC)cc1O 19838858 OCDXSCINJLCUCC-UHFFFAOYSA-N 237.299 2.273 0 40 BEAB c1ccc(CNc2ccc3c(c2)OCO3)nc1 19966376 YASRYNVIKYLJTM-UHFFFAOYSA-N 228.251 2.422 0 40 BEAB COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C 25762016 XUUOEWPYCMSNCP-AAEUAGOBSA-N 247.338 2.318 0 40 BEAB CCCOc1ccc(-c2nonc2N)cc1 26509275 CKBKODPSEMHEHN-UHFFFAOYSA-N 219.244 2.108 0 40 BEAB CC(C)[C@H](C)NC(=O)c1cc(C2CC2)on1 26932663 AFSPZNZIHUBPDR-QMMMGPOBSA-N 222.288 2.326 0 40 BEAB CCn1nccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 28575771 HIXPLQJMNKWAHQ-GHMZBOCLSA-N 235.331 2.021 0 40 BEAB O=C(O)c1ccc(-n2cc[nH]c2=S)cc1 32628423 ZNFFXFYIHZSXFP-UHFFFAOYSA-N 220.253 2.233 0 40 BEAB C[C@H](c1ccccc1)N1C[C@H]2CCNC[C@H]21 35080320 NGNQCJGKLHCSKU-MRVWCRGKSA-N 216.328 2.041 0 40 BEAB Cc1cn(Cc2ccc(F)c(F)c2)nc1N 35655708 KZEWCQOINKCZHU-UHFFFAOYSA-N 223.226 2.100 0 40 BEAB COCCNC(=O)c1cc(SC)ccc1C 36396057 PZPVXIIQCSZUHD-UHFFFAOYSA-N 239.340 2.093 0 40 BEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1CC1 40108277 IRCUBLHLRPNCNJ-PWSUYJOCSA-N 225.332 2.108 0 40 BEAB COCCNC(=O)c1ccc(C(F)(F)F)cc1 40160747 SALQACNZUBFGRC-UHFFFAOYSA-N 247.216 2.082 0 40 BEAB COc1ccc(CNCc2cscn2)cc1 40420202 ZUVNXMWBTCKRLP-UHFFFAOYSA-N 234.324 2.442 0 40 BEAB CC(=O)N(Cc1cccc(F)c1)C1CC1 45413647 VUEMSSPMZKZGEY-UHFFFAOYSA-N 207.248 2.337 0 40 BEAB CC[C@H](C)NC(=O)CN1CCCC[C@@H]1CC 48342195 UDPDEPYVGYVUQA-RYUDHWBXSA-N 226.364 2.166 0 40 BEAB CCOC(=O)CN1CC[C@H](c2ccccc2)C1 50266842 DVJWCHSKTBDJOO-ZDUSSCGKSA-N 233.311 2.039 0 40 BEAB NCc1cc(Oc2cccc(F)c2)ccn1 51549764 IZXARGJXHMWFFM-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro NCc1nc(-c2cccc3ccccc23)no1 54438350 IWJYEXPQFGPLBW-UHFFFAOYSA-N 225.251 2.349 0 40 BEAB CCO[C@H](C)C(=O)N[C@H](C)Cc1ccccc1C 58210412 YGRYHWRVYWFUJN-CHWSQXEVSA-N 249.354 2.467 0 40 BEAB COc1cccc([C@H]2C[C@H]2[C@@H](C)O)c1OC 62713902 FZMUAEIULPUYBQ-DVVUODLYSA-N 222.284 2.188 0 40 BEAB CC(C)(C)[C@H](O)CCNC(=O)[C@@H]1CC=CCC1 75170578 ONCJMTMBEOKBKK-VXGBXAGGSA-N 239.359 2.256 0 40 BEAB CC[C@@](C)(C(=O)O)c1ccccc1OC 75616330 WISGQWVCKUFMGR-GFCCVEGCSA-N 208.257 2.448 0 40 BEAB CC(C)(C)OC(=O)N1CCCC(=O)C1(C)C 84237463 XNDWREFZHYHNCE-UHFFFAOYSA-N 227.304 2.365 0 40 BEAB COc1ccc(C2([C@H](C)O)CC2)cc1C 84383727 JHAAOKKBBXZOEV-JTQLQIEISA-N 206.285 2.416 0 40 BEAB Fc1cc(Br)cc(OC[C@H]2CO2)c1 88138614 IAYLDVSLWMFGMD-VIFPVBQESA-N 247.063 2.366 0 40 BEAB COC(=O)Cc1c[nH]c2c(F)cccc12 89204075 GLEUIFNTOWAJGR-UHFFFAOYSA-N 207.204 2.023 0 40 BEAB CCn1nc(N)c2cc3ccc(C)cc3nc21 89261482 SLRJZKXCIOVCCL-UHFFFAOYSA-N 226.283 2.495 0 40 BEAB CN(C)[C@@H](CNc1ccc(Cl)cn1)C1CC1 91481943 POXMHLBNYYWLOU-NSHDSACASA-N 239.750 2.487 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCN[C@H]2C)c(C)c1 91496551 PDSPYQIDOYNZSL-JSGCOSHPSA-N 246.354 2.174 0 40 BEAB Brc1ccncc1N1CCCC1 95081341 WXPGFUQBLZNEGB-UHFFFAOYSA-N 227.105 2.444 0 40 BEAB CC(C)COc1cc(F)ccc1CCO 95730391 FJMJNVGYUXDLNZ-UHFFFAOYSA-N 212.264 2.395 0 40 BEAB N[C@H](CCc1ccc2ccccc2c1)C(=O)O 95749295 DLEUTYGDMYCFQF-CYBMUJFWSA-N 229.279 2.184 0 40 BEAB Cc1cnc(C)c(Br)c1N 96029318 LKGXJWUAMZCZKD-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB CN1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 96215219 SKEBJGKZJGRVFH-CQSZACIVSA-N 234.343 2.197 0 40 BEAB CC(C)C(=O)Nc1ccccc1C[S@](C)=O 97377144 JMHRVSCYZUMDAQ-MRXNPFEDSA-N 239.340 2.160 0 40 BEAB C1C[C@@H]2CN(c3nc(C4CC4)no3)C[C@H]2C1 98019117 QXNIGHYTTLBUKF-NXEZZACHSA-N 219.288 2.183 0 40 BEAB COC(=O)C1CC(c2ccc(O)cc2)C1 98095315 HWUHVOZHPLPUPT-UHFFFAOYSA-N 206.241 2.059 0 40 BEAB O[C@@H]1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1C2 101363334 LGLZRUQGFUJOOH-ZOLYEBIHSA-N 210.317 2.089 0 40 BEAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc[nH]1 102256100 NTKQXDJCDRPJOC-FMIVXFBMSA-N 238.246 2.359 0 40 BEAB COC(=O)OCC(Cl)(Cl)Cl 114124883 HYBCSYUDJOFGEO-UHFFFAOYSA-N 207.440 2.140 0 40 BEAB CCCc1[nH]ncc1C(=O)N(C)CC(C)(C)C 195567386 GJVYEOGSQHRKGS-UHFFFAOYSA-N 237.347 2.480 0 40 BEAB CC[C@@H](C)OCCOCC(F)(F)F 200411484 ORVAWPBHEBVHKE-SSDOTTSWSA-N 200.200 2.380 0 40 BEAB Brc1ccnn1C1CCC1 214268640 RDCYVYIZFJOWCE-UHFFFAOYSA-N 201.067 2.371 0 40 BEAB O=C(O)CCc1ccc2[nH]c(Cl)nc2c1 217773054 FQVVBDWAOYRCKV-UHFFFAOYSA-N 224.647 2.234 0 40 BEAB Cc1ccnc(C)c1[C@@H](C)O[C@H]1CCNC1 242495970 GWAWNDBDTSHGCH-NEPJUHHUSA-N 220.316 2.138 0 40 BEAB Cc1nc(Nc2ccccc2)cc(C2CNC2)n1 257300367 RUAOLYHBOCAMTH-UHFFFAOYSA-N 240.310 2.215 0 40 BEAB Cc1cc(CN(C)Cc2ncc[nH]2)ccc1F 428461639 PINZKDSITLXWKB-UHFFFAOYSA-N 233.290 2.489 0 40 BEAB C[C@]1(O)CC[C@@H]1N1C[C@H]2CCCC[C@H]2C1 1775996216 BQXCUCUPRFJTIO-RNJOBUHISA-N 209.333 2.022 0 40 BEAB CC(=O)OCCn1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 488658 MIXVHAAVIXCSIZ-ZWNOBZJWSA-N 248.326 2.050 0 40 BEAB biogenic CCOc1ccc(CCCN)cc1OCC 4992758 WMIRKPVYZTYOTL-UHFFFAOYSA-N 223.316 2.375 0 40 BEAB Cc1c(C(=O)N(C)C)oc2c1C(=O)CC(C)(C)C2 5322757 SVGDEPWBXJTINS-UHFFFAOYSA-N 249.310 2.445 0 40 BEAB COc1ccc2c(c1)[C@H](CC(=O)O)CC2 6018756 ALAUISTUIQUUFF-VIFPVBQESA-N 206.241 2.200 0 40 BEAB in-vitro CC[C@H](C)NC(=O)c1cccnc1Cl 6121007 QFLXUEXNFXGGKP-ZETCQYMHSA-N 212.680 2.263 0 40 BEAB Cc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1C 7610046 OTZUKPMKHJWGMN-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB Cc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1 13468356 MSWLJZURSBZZKE-UHFFFAOYSA-N 220.659 2.399 0 40 BEAB O=c1cnc2cc(Cl)c(Cl)cc2[nH]1 15020551 BDVJLKWSNDCCPL-UHFFFAOYSA-N 215.039 2.230 0 40 BEAB in-vitro CN(C)[C@@H](C(=O)O)c1c(F)cccc1Cl 16873035 SZFVVORRSYZEMM-SECBINFHSA-N 231.654 2.166 0 40 BEAB biogenic,in-vitro OCCOc1cc(Cl)ccc1Cl 19786128 FRWAGDUBVWQRJS-UHFFFAOYSA-N 207.056 2.365 0 40 BEAB in-vitro Clc1cccc(CCCN2CCNCC2)c1 19801376 ULRORHLCFWDYIS-UHFFFAOYSA-N 238.762 2.178 0 40 BEAB O=C1CS[C@@H](c2cccs2)N1C1CC1 19926925 SEOZNFPPFPCUFS-JTQLQIEISA-N 225.338 2.485 0 40 BEAB Nc1ccccc1-c1nc(-c2cccnc2)no1 20159541 JWIQJDDQUASHKG-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB COc1ccc(NC(=O)CSC(C)C)cn1 24489608 SAJWRBJKKSLHTO-UHFFFAOYSA-N 240.328 2.170 0 40 BEAB C[C@H]1CN(c2cnc3ccccc3n2)C[C@@H](C)O1 26134624 PRMYCHZGLZCUMI-PHIMTYICSA-N 243.310 2.243 0 40 BEAB C[C@H](CO)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@@]21C 26522181 FUBPRYXDIHQLGH-NJMOYASZSA-N 212.333 2.192 0 40 BEAB Cc1cccnc1NC(=O)c1ccoc1 27652038 XLIMPADUPXTINZ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB Nc1ccccc1S(=O)(=O)C1CCCCC1 33468771 GZNVBIKSUIFPRX-UHFFFAOYSA-N 239.340 2.375 0 40 BEAB CCOC(=O)CC1Cc2ccccc2C1 34216955 MSVLHKCEWWRYFY-UHFFFAOYSA-N 204.269 2.355 0 40 BEAB Brc1ccnc2cccnc12 34437150 RUZMWDKSPLIZSY-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB C[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1 34799576 SLZSDRMJALYSCC-OCCSQVGLSA-N 219.328 2.452 0 40 BEAB CN[C@H](c1ccc(Cl)cc1)c1cnccn1 37658175 OOFGEQUHLWRWCS-GFCCVEGCSA-N 233.702 2.439 0 40 BEAB in-vitro CCCCCNC(=O)OCC(F)(F)F 39947470 LKXHYLJLWMAHHQ-UHFFFAOYSA-N 213.199 2.465 0 40 BEAB in-vitro COC[C@H](C)NC(=O)CCc1cccc(C)c1 40477338 VVCDNNDUSGFMOF-LBPRGKRZSA-N 235.327 2.079 0 40 BEAB CCO[C@@H](C)C(=O)N[C@@H](C)c1cccs1 40523421 PYCPAPAWSJBDMI-IUCAKERBSA-N 227.329 2.350 0 40 BEAB CC(C)CCNC(=O)Cc1cn2ccccc2n1 41287846 RKQPXWOEVDLPDI-UHFFFAOYSA-N 245.326 2.039 0 40 BEAB C[C@@H](O)CCNc1ccc(Br)cn1 42783908 MEKCECWQVYWMBU-SSDOTTSWSA-N 245.120 2.027 0 40 BEAB COC1CCN(C(=O)NCc2ccccc2)CC1 48286550 IFUIHMADWISFRT-UHFFFAOYSA-N 248.326 2.007 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 48331673 VZCHIDUJWUEHCE-ZYHUDNBSSA-N 241.294 2.467 0 40 BEAB CC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1 57536134 ZZQHBHSRSVUXOB-NSHDSACASA-N 243.310 2.401 0 40 BEAB CCc1ccc(OCCCn2cncn2)cc1 58159004 QUHKCZSVRVKPPX-UHFFFAOYSA-N 231.299 2.310 0 40 BEAB COc1ccc(OC)c2c1c(C=O)cn2C 58823877 MRGGMXMWQSIMMP-UHFFFAOYSA-N 219.240 2.008 0 40 BEAB Cc1nc(NC(C)(C)C)ccc1CCO 72225027 WGMURZOFXXPHCC-UHFFFAOYSA-N 208.305 2.135 0 40 BEAB CC(C)N1CCCC[C@@H](C2CCNCC2)C1=O 72343505 VRYLWURBECVNDK-ZDUSSCGKSA-N 238.375 2.023 0 40 BEAB N[C@H](CCC(=O)O)c1cccc(Cl)c1 75069407 RZRBGXCDOSUIET-SECBINFHSA-N 213.664 2.205 0 40 BEAB CC(C)OCCC(=O)N[C@H]1CCCC[C@@H]1C 78416555 QBYKYFLKDCEVOF-RYUDHWBXSA-N 227.348 2.496 0 40 BEAB CC(C)(C)c1nccc(N2CCCC2)n1 80761581 UHGIXQQBPBBVPO-UHFFFAOYSA-N 205.305 2.374 0 40 BEAB CCCC(=O)[C@H](C)C(=O)OC(C)(C)C 85494934 GZHVJVJALJXSAU-QMMMGPOBSA-N 200.278 2.333 0 40 BEAB in-vitro O=Cc1cc(F)c(OCCF)c(F)c1 87775603 OKKBYOQZRBPNLK-UHFFFAOYSA-N 204.147 2.126 0 40 BEAB Fc1ccccc1CN1CCN2CCCC[C@@H]2C1 90824814 VSURJSKVSDWJII-CQSZACIVSA-N 248.345 2.496 0 40 BEAB Cc1nn(C)cc1CNc1cnn(C(C)C)c1 92564868 VEEAKGRMNBSAGB-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CCc1ccc([C@H](CN)N2CCCC2)cc1 95098737 QCGLRNJIKPUVEA-AWEZNQCLSA-N 218.344 2.345 0 40 BEAB in-vitro C1=CCC(c2nc([C@@H]3CCOC3)no2)C1 95411040 PZJPDUBIOQKXPW-SECBINFHSA-N 206.245 2.007 0 40 BEAB COC(=O)C(=O)c1c[nH]c2cccc(Cl)c12 95931290 LUFYODHNHSVJIV-UHFFFAOYSA-N 237.642 2.177 0 40 BEAB c1cc2c(cc1N[C@@H]1CCCOC1)COC2 95991737 LXPNAESJZPNIOX-CYBMUJFWSA-N 219.284 2.308 0 40 BEAB C[C@@H]1C[C@]1(CN)[C@H](O)c1cccc(Cl)c1 96527191 XBJANVHKFVLHTL-GGZOMVNGSA-N 225.719 2.358 0 40 BEAB C[C@@H]1OCC[C@@H]1Sc1ccc2nccnc2n1 97021250 AGQPHFRTFSHPNK-WPRPVWTQSA-N 247.323 2.294 0 40 BEAB CON(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 97402926 ITNPKUYNWKBAAX-HTQZYQBOSA-N 239.237 2.375 0 40 BEAB COCCOc1cc(N)cc(C(F)(F)F)c1 98214065 SHBJHWPHTVJNQG-UHFFFAOYSA-N 235.205 2.313 0 40 BEAB O=C(O)c1ccc(OCCF)cc1Cl 168734465 ZHTKQIXUNUQYDL-UHFFFAOYSA-N 218.611 2.387 0 40 BEAB CC1(C)CCN(Cc2ccccc2)C[C@@H]1O 205465815 BJFLAIAWQVLNTQ-ZDUSSCGKSA-N 219.328 2.279 0 40 BEAB Fc1ccc(F)c(N2CCN[C@H]3CCC[C@H]32)c1 218847591 SKVSERVTWVFWIX-NWDGAFQWSA-N 238.281 2.296 0 40 BEAB CCOc1ccccc1N[C@@H]1CCC[C@@H]1N 218878723 BQLSHFWMMQZGTA-WDEREUQCSA-N 220.316 2.377 0 40 BEAB CCOC(=O)[C@H](CC)Sc1nc(CC)c[nH]1 225443167 IQKMWILULDQJJN-VIFPVBQESA-N 242.344 2.406 0 40 BEAB c1ccc(CO[C@@H]2CNCC[C@@]23CCCO3)cc1 257202640 AMSIXYZLRHTKJZ-CABCVRRESA-N 247.338 2.114 0 40 BEAB CCOc1nc2cc(OC)ccc2cc1C(=O)O 685936913 FJQKDZSYSUGCHI-UHFFFAOYSA-N 247.250 2.340 0 40 BEAB NC(=O)c1cccnc1Nc1cccc(F)c1 481289 QYIHDPWCKNIVLP-UHFFFAOYSA-N 231.230 2.063 0 40 BEAB CCCCNC(=O)[P@@](=O)(O)c1ccccc1 1684234 MRQFHBDQJDBSMV-UHFFFAOYSA-N 241.227 2.092 0 40 BEAB CCSC(=O)NCCOC(=O)SCC 1691333 PHRLSRTWZVUQQM-UHFFFAOYSA-N 237.346 2.339 0 40 BEAB O=Cc1ccc(N(CCF)CCF)cc1 1752328 CAEWGNXPCYMVCH-UHFFFAOYSA-N 213.227 2.245 0 40 BEAB COc1ccc(CC(=O)C(F)(F)F)cc1 2383466 YLMHLXFFVYFSNR-UHFFFAOYSA-N 218.174 2.369 0 40 BEAB C[C@@H]1C[C@](O)(Cc2ccccc2)[C@H](C)CN1C 4128446 YSGPBYGQFUGPJJ-NFAWXSAZSA-N 233.355 2.320 0 40 BEAB FC(F)(F)c1cccc(N[C@H]2CCNC2)c1 4245569 DMVUUNJOQCZRGM-JTQLQIEISA-N 230.233 2.479 0 40 BEAB CC(C)CCC[C@@H](C)NC(=O)N1CCOCC1 4677259 ALLWUWDKQBTPQE-GFCCVEGCSA-N 242.363 2.243 0 40 BEAB Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)[C@@H]2C)cc1 5576429 WOJHDSMKNPNHNF-SNVBAGLBSA-N 234.299 2.124 0 40 BEAB Cc1nc2sccn2c1C(=O)C(F)(F)F 6025138 JGXHHYIATBFMJM-UHFFFAOYSA-N 234.202 2.449 0 40 BEAB S=C(NC1CC1)N(Cc1cccnc1)C1CC1 6257617 HYIWEUNYZXGDEY-UHFFFAOYSA-N 247.367 2.083 0 40 BEAB N[C@@H]1CCCc2cc(Cl)ccc2[C@@H]1O 8699468 VVEBJLSVIQAOJM-MNOVXSKESA-N 211.692 2.037 0 40 BEAB CCCCOC[C@@H](O)CN1C[C@@H](C)C[C@H](C)C1 8844772 RUFPVBGMFJWXNM-IHRRRGAJSA-N 243.391 2.142 0 40 BEAB O=C(Nc1nnc(C2CCCCC2)o1)C1CC1 10881422 MDMQRXKDEADZIY-UHFFFAOYSA-N 235.287 2.466 0 40 BEAB CN(C)[C@H](C(=O)O)c1cccc(Cl)c1 16873052 RQFSLMYOSSZFQY-VIFPVBQESA-N 213.664 2.027 0 40 BEAB biogenic,in-vitro COc1ccc(CNCC(C)C)cc1O 19882938 VQZBGRIZKHVERG-UHFFFAOYSA-N 209.289 2.146 0 40 BEAB CCc1ccc(OCCNC2CC2)cc1 20525153 DOJZNQILHLPNOD-UHFFFAOYSA-N 205.301 2.380 0 40 BEAB COc1ncccc1CNC(=O)C1CCCCC1 30307572 ARPRCLWDCRSHHZ-UHFFFAOYSA-N 248.326 2.287 0 40 BEAB CNC(=O)C1(c2cccc(F)c2)CCCC1 32999467 QQJNPKQRIKANJJ-UHFFFAOYSA-N 221.275 2.384 0 40 BEAB S=C(Nc1cccc2cnncc12)NC1CC1 33941826 CWTLPWRNKHJQFW-UHFFFAOYSA-N 244.323 2.079 0 40 BEAB O=C(O)[C@@H](c1cccc(F)c1)N1CCCCC1 37362004 PQKALXNDKBITMO-GFCCVEGCSA-N 237.274 2.437 0 40 BEAB O[C@@]1(C(F)(F)F)CCc2ccccc21 43367881 RLRMXTVZEDMFHB-VIFPVBQESA-N 202.175 2.383 0 40 BEAB COC[C@@H](C)NC(=O)c1cc2ccccc2o1 45819694 FQQHGULBBBIYHZ-SECBINFHSA-N 233.267 2.198 0 40 BEAB CCc1cc(Cl)nc([C@H]2CCOC2)n1 51691307 LALAGZAUHHSUAH-ZETCQYMHSA-N 212.680 2.196 0 40 BEAB CC(C)CNCc1cnn(CC(C)C)c1 54720233 FZMUGSVBEWGFMA-UHFFFAOYSA-N 209.337 2.285 0 40 BEAB O=C(O)COc1ccc2cccc(O)c2c1 65742960 ZDEUITGTAREACQ-UHFFFAOYSA-N 218.208 2.009 0 40 BEAB in-vitro CCN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 69416824 ZNJGNOFZLYANPJ-UHFFFAOYSA-N 247.294 2.259 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCCc2ncccc21 69514790 OLAMLSJLYGEJSG-ZJUUUORDSA-N 216.284 2.017 0 40 BEAB CCN(C)c1ncccc1[C@H]1CCCCN1C=O 72212809 UXTZTDNQEHCKAE-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB Cc1cc([C@@H]2CCCN2C=O)c[nH]c1=S 72218247 MHFHDDXSDGHROO-JTQLQIEISA-N 222.313 2.346 0 40 BEAB O=C(Nc1ccccc1)N[C@H]1CCC[C@H](O)C1 75156798 WDNXBNRDYJIYLR-RYUDHWBXSA-N 234.299 2.112 0 40 BEAB CO[C@H]1CCC[C@@H]1OC(=O)c1scnc1C 76090351 OLGZPYIHYNIOPD-IUCAKERBSA-N 241.312 2.176 0 40 BEAB Nc1nc(C2CC2)cc(N2CCCCCC2)n1 78404618 WHUHSLMKZKCQCZ-UHFFFAOYSA-N 232.331 2.317 0 40 BEAB Cc1cccc([C@@H](C)Sc2nnc(C)n2N)c1 78930064 GRYUUXJWRBXMTB-SECBINFHSA-N 248.355 2.462 0 40 BEAB CCOc1cccc(NC(=O)c2ccoc2)n1 78971593 VBTOPCARZXBQML-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB Cc1noc(C)c1CNc1ncccc1F 80652356 KSKWJZYHFWHOFR-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)N 83884402 ACKJNPAAWDPCSC-SECBINFHSA-N 240.734 2.036 0 40 BEAB COC(=O)[C@]1(C)O[C@@]1(C)C1CCCCC1 85657942 ODUQUFFHYSBQIT-RYUDHWBXSA-N 212.289 2.287 0 40 BEAB Cc1ncsc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 89565378 HBCWDHGFWLMXHF-PHIMTYICSA-N 248.351 2.490 0 40 BEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2CCC[C@@H]2C1 89764796 UOLJWEZUSWHMQY-GHMZBOCLSA-N 246.310 2.424 0 40 BEAB CC(C)OCCS[C@@H](C)C(=O)NC(C)(C)C 89887887 GIXXGLYGEDQSLZ-JTQLQIEISA-N 247.404 2.448 0 40 BEAB CN1COc2ccc(Br)cc2C1 90504907 WZRWMKXMXFEVKZ-UHFFFAOYSA-N 228.089 2.231 0 40 BEAB CCOc1ccc(NC(=O)C(C)(C)C)cn1 94819978 ZTFRHOXTEWLUQV-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB CC(=O)OCC[C@@H](C)CC[C@@H](O)C(C)(C)F 95470359 HDLMFYXQXJIEQK-GXSJLCMTSA-N 234.311 2.465 0 40 BEAB COC(=O)CN[C@@H](C)c1cccc(C)c1C 95985239 XHRATSQTGRLIMT-NSHDSACASA-N 221.300 2.127 0 40 BEAB CC(C)OC[C@@H]1NCCc2sccc21 96526590 HNOFBYREPLZIIG-JTQLQIEISA-N 211.330 2.360 0 40 BEAB O=C1CCCc2[nH]c(Br)cc21 96675204 TTYFVLXVNAATTA-UHFFFAOYSA-N 214.062 2.296 0 40 BEAB Cc1ccc(CCN[C@H](C)C2CCOCC2)cn1 97016897 GXMSCGUOCXATIA-CYBMUJFWSA-N 248.370 2.337 0 40 BEAB CCOCCOc1cccc(-n2cccn2)c1 97082541 VPHBNXQZKHDOSR-UHFFFAOYSA-N 232.283 2.288 0 40 BEAB C[C@@H]1[C@@H]2CCN(C)[C@@H]1Cc1ccc(O)cc12 104270596 SVPZRQDNNLAJMW-LJWDBELGSA-N 217.312 2.372 0 40 BEAB Cn1nc2c(c1O)[C@@H](c1cccc(Cl)c1)CN2 110757753 NVPQWGPRAMECKW-SECBINFHSA-N 249.701 2.337 0 40 BEAB Cc1cnc([C@H]2CCN(CC3CCC3)C2)[nH]1 205694311 NOFZQQKCYJXRKW-LBPRGKRZSA-N 219.332 2.308 0 40 BEAB CCNC(=O)c1cc(N)ccc1N[C@@H](C)CC 225453985 LAAJMGKOJNOITF-VIFPVBQESA-N 235.331 2.229 0 40 BEAB COC(=O)c1cn(-c2ccc(C)cc2)nc1C 226258199 ATDYYIPBTPJFRC-UHFFFAOYSA-N 230.267 2.276 0 40 BEAB NCc1c(-c2ccccc2)csc1N 252510254 ZFPAUKWECJKQJY-UHFFFAOYSA-N 204.298 2.456 0 40 BEAB COc1cc(CNc2nn(C)cc2C)ccc1O 256051598 JUGGVUTXHFCBOS-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB CC(=O)OCC(=O)c1cc(F)ccc1Cl 308840941 YRHZCEUYMZSWGY-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB Cc1ccc2sc(N3CC[C@@H](O)C3)nc2c1C 631099080 FDPXVUBEHKWTRC-SNVBAGLBSA-N 248.351 2.484 0 40 BEAB O=Cc1cc2c(Cl)cccc2nc1O 685937346 NSHQEQYGBUOVMT-UHFFFAOYSA-N 207.616 2.406 0 40 BEAB CN(C)c1cnc2cc(Cl)ccc2n1 1163569536 RXCDCEPSXVAYRL-UHFFFAOYSA-N 207.664 2.349 0 40 BEAB c1csc(CNc2ncnc3[nH]cnc23)c1 213823 JYIRPMVEWLTUGX-UHFFFAOYSA-N 231.284 2.027 0 40 BEAB Cc1ccnc(NC(=O)c2cccc(F)c2)n1 363383 HAPVVBHWVVVTMQ-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1 3559872 QPNVAPBAQNRRPC-MWLCHTKSSA-N 233.315 2.094 0 40 BEAB CCCC(=O)Nc1nnc(-c2ccccc2)o1 4276195 POKGJDRCDVRGQK-UHFFFAOYSA-N 231.255 2.475 0 40 BEAB CC(=O)Nc1nc(-c2ccncc2)cs1 6304487 HPKFGKARCKSQCR-UHFFFAOYSA-N 219.269 2.164 0 40 BEAB Cc1ccccc1CN(C)[C@@H](C)C(=O)NC1CC1 7680786 BVSCDAABRIQHOT-LBPRGKRZSA-N 246.354 2.094 0 40 BEAB C[C@H](O)CNCc1ccc(Cl)c(Cl)c1 8497953 GWJXEIVLHPCSAF-ZETCQYMHSA-N 234.126 2.464 0 40 BEAB Cn1c([C@@H](N)c2ccccn2)nc2ccccc21 19930118 XFSJJLJQKQFTTN-ZDUSSCGKSA-N 238.294 2.016 0 40 BEAB in-vitro CCCNC(=O)c1ccc(-n2ccnc2)cc1 24049728 UMAFZXWKAYSKCN-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB CC[C@H](CO)NCc1ccc(OC(C)C)cc1 26482905 STKJXLFNIREEJC-CYBMUJFWSA-N 237.343 2.334 0 40 BEAB CCOc1cccc(C(=O)Nc2ccn(C)n2)c1 27915636 KKVWCWZFPGEWBZ-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCn2c1nc1ccccc12 29375692 XDFJQIKRBQTLIQ-NXEZZACHSA-N 241.294 2.039 0 40 BEAB CC(C)N(Cc1ccc(Cl)cc1)C(=O)CN 32090449 DRRLKNIAFHDRJM-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB Cc1ccc(-c2ccc(C(N)=O)cc2)c(C)n1 32547877 GBFNIGOQQVXEOC-UHFFFAOYSA-N 226.279 2.464 0 40 BEAB O=C(NCc1ccncc1)c1ccsc1 32731187 HCDRSYZPUPOSDP-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@@H](C)C2)n1 32909064 QFJCMLRCBLNXQE-SNVBAGLBSA-N 218.300 2.262 0 40 BEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC1 32958269 YGLNNFMVPDROEA-SNVBAGLBSA-N 237.274 2.215 0 40 BEAB CN(C)C(=O)Cc1ccc(C(F)(F)F)cc1 35874709 XWUPTDZIGIDMKP-UHFFFAOYSA-N 231.217 2.336 0 40 BEAB CC(C)(O)CN(Cc1ccccc1)C1CC1 36115464 XBEFPBNALFDLSH-UHFFFAOYSA-N 219.328 2.422 0 40 BEAB CC1(C)COC2(C[C@H]3CC(=O)C[C@H]3C2)OC1 39434333 DPGJBUWFVDJWGF-AOOOYVTPSA-N 224.300 2.145 0 40 BEAB CSCC[C@@H](NCC1CCCCC1)C(=O)O 41689779 UDFHQLDCTCWQQC-LLVKDONJSA-N 245.388 2.363 0 40 BEAB CC[C@H]1CCCN(Cc2nc(C)no2)C1 48057945 SMMVVYORKSKCJJ-JTQLQIEISA-N 209.293 2.000 0 40 BEAB CCSc1ccc(NC(=O)[C@@H](C)OC)cn1 49495255 HMVMPDMKXZSZOT-MRVPVSSYSA-N 240.328 2.167 0 40 BEAB O=C(O)c1ccc2nc(C(F)(F)F)cn2c1 49646744 WRESJPKJERQPHN-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB in-vitro CCc1nc(Cl)c(C(N)=O)c2c1CCCC2 62720751 XZZJYKSASLNPIS-UHFFFAOYSA-N 238.718 2.275 0 40 BEAB O=C(c1ccccc1)N1CC[C@H](c2cc[nH]n2)C1 72187666 HYIBGZSDQBRUSW-LBPRGKRZSA-N 241.294 2.039 0 40 BEAB O[C@H](C[C@@H]1CCCCCN1)c1ccco1 75110612 LXUYRRUCGIREKG-WDEREUQCSA-N 209.289 2.235 0 40 BEAB CC(C)(C)NC(=O)c1c[nH]c2ccccc2c1=O 81563222 WJGAVRDHQSWNBG-UHFFFAOYSA-N 244.294 2.056 0 40 BEAB Cc1noc2nc(Cl)nc(Cl)c12 85221006 NPESVPRQWIQXCG-UHFFFAOYSA-N 204.016 2.233 0 40 BEAB O=C(CC1OCCO1)c1ccccc1Cl 85652187 GWPWKJXTAOZBGV-UHFFFAOYSA-N 226.659 2.286 0 40 BEAB NNc1cc(Cl)ccc1Br 88122808 IWCHTILHDIBDGF-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB in-vitro CCOC(=O)[C@H]1NCCc2cc(Cl)ccc21 95080515 PWXIZZPSVKEDPJ-NSHDSACASA-N 239.702 2.090 0 40 BEAB in-vitro COC(=O)c1cccc(C2C[C@@H]3CC[C@H](C2)N3)c1 95644343 NIOGYEYZJWSVBN-AGUYFDCRSA-N 245.322 2.471 0 40 BEAB C[C@H](OC(=O)[C@H]1CCCCN1C)c1cccnc1 95962715 HUKXNULISVPKPZ-WCQYABFASA-N 248.326 2.170 0 40 BEAB O=C(O)c1ccc(C(=O)N[C@H]2C=CCCC2)cc1 95989954 PLLFIUNYPPSKQI-LBPRGKRZSA-N 245.278 2.223 0 40 BEAB Cc1cncc(COC[C@@]23CCC[C@@H]2CNC3)c1 96206334 QRPVTDTVTNAAQK-CABCVRRESA-N 246.354 2.296 0 40 BEAB Cc1cc(NC(=O)c2cscc2C)nc(O)n1 97082725 KANVGPMDAJBJLV-UHFFFAOYSA-N 249.295 2.113 0 40 BEAB C[C@@H](c1ccccn1)N(C)[C@@H]1CCCCN1 98181594 DILMUIWNBOBMBE-WCQYABFASA-N 219.332 2.174 0 40 BEAB Cc1ccc(-c2cc3c(=O)n(C)ccn3n2)cc1 98212934 QOJJUHOKPFBKHI-UHFFFAOYSA-N 239.278 2.008 0 40 BEAB COC(=O)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 103698396 WHYSLOGCGQAEHL-ZDMBXUJBSA-N 224.300 2.191 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCNC1CCCCCC1 122232779 BGNRNVIHSONJNQ-DGCLKSJQSA-N 238.375 2.071 0 40 BEAB COc1c(C)cc(C(=O)O)cc1Br 169796643 FWHQYRNZHDJCGZ-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB Fc1ccc(N2CCN[C@H]3CCC[C@@H]32)c(F)c1 225717703 DDGNWRZUMOVSQJ-AAEUAGOBSA-N 238.281 2.296 0 40 BEAB CC(=O)N[C@H](C)Cc1cc2ccccc2o1 238415905 WXMZXYWWLVXYMA-SECBINFHSA-N 217.268 2.500 0 40 BEAB Cc1nn(C(C)C)cc1CNc1cnn(C)c1 256052900 PCVHOHQCAQECST-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CC(C)(C)C(=O)N1CCn2nc(C3CC3)cc2C1 390829075 CPQRBCWTZHCPTC-UHFFFAOYSA-N 247.342 2.149 0 40 BEAB Cc1cccc(O[C@H]2CCC[C@@H]2N(C)C)n1 585654714 KSPFPICFCODTRU-RYUDHWBXSA-N 220.316 2.252 0 40 BEAB CC1(NCc2cc3c(O)cccc3s2)COC1 895445437 ZSGKNHLIEKAYOV-UHFFFAOYSA-N 249.335 2.485 0 40 BEAB OCc1ccc(OCCF)cc1Br 1776010712 ATPARIUXARKJSW-UHFFFAOYSA-N 249.079 2.290 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)c1ccco1 476316 ZVRZJITVEDLUKY-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB O=C(O)C(=O)C(c1ccccc1)c1ccccc1 1733983 VDIDZYZFFJPJCJ-UHFFFAOYSA-N 240.258 2.472 0 40 BEAB NNc1nc2c3c(ccc2s1)CCCC3 2455639 JZFGOYKTQURYKV-UHFFFAOYSA-N 219.313 2.461 0 40 BEAB O=c1ccc2ccc(Oc3ncccn3)cc2o1 3340323 ICVPSXXSIFGKLI-UHFFFAOYSA-N 240.218 2.375 0 40 BEAB COc1ccc2c(c1)nc(SC)n2C 5286059 GIDHLXNYEZWWKS-UHFFFAOYSA-N 208.286 2.304 0 40 BEAB O=C(O)CSCC(=O)c1ccc(Cl)cc1 6321869 JIYHIZUYCBNBNM-UHFFFAOYSA-N 244.699 2.341 0 40 BEAB CC(=O)c1cccc(OCC(=O)c2ccc[nH]2)c1 6851165 REZBRAIOJURQQY-UHFFFAOYSA-N 243.262 2.479 0 40 BEAB Cc1ccc(OC[C@H](O)CNC(C)(C)C)cc1 7636274 LWOHFRGZWYFRBJ-GFCCVEGCSA-N 237.343 2.123 0 40 BEAB NC(=O)c1c(-c2ccc(F)cc2)csc1N 12398444 HXJDMDDYIUDQML-UHFFFAOYSA-N 236.271 2.235 0 40 BEAB COC(=O)[C@@H](N)c1ccc(Cl)cc1Cl 20146315 QAOMIBWFHLOTTI-QMMMGPOBSA-N 234.082 2.166 0 40 BEAB in-vitro NC(=O)C1CCC(c2ccccc2)CC1 31308450 CYZSFVCMOLUFIS-UHFFFAOYSA-N 203.285 2.446 0 40 BEAB Cc1cccc(CNC(=O)C2CCC2)c1 32760726 ATOJFXLYHKHUMU-UHFFFAOYSA-N 203.285 2.411 0 40 BEAB NC(=O)Nc1ccc(NC(=O)C2CCCC2)cc1 32903241 MGBFBVMVQHFYBS-UHFFFAOYSA-N 247.298 2.306 0 40 BEAB Cc1cccc(C(=O)N(C)C2CCNCC2)c1C 36282797 CVXDFUKBJKBJLO-UHFFFAOYSA-N 246.354 2.127 0 40 BEAB CC(C)(C)c1cc(N)n(-c2ccccn2)n1 37291285 GUULKYKPJKFSFK-UHFFFAOYSA-N 216.288 2.147 0 40 BEAB in-vitro COCCOc1ccc2c(C)cc(=O)oc2c1 38589891 PEQPFCMAZXLXCU-UHFFFAOYSA-N 234.251 2.127 0 40 BEAB CCn1c(CO)nc2ccc(Cl)cc21 40417184 DWIXTLSWWFXYOD-UHFFFAOYSA-N 210.664 2.202 0 40 BEAB COc1ccc(CNC(=O)C=C(C)C)cc1OC 40459820 ACAAVQWFDQQQPA-UHFFFAOYSA-N 249.310 2.286 0 40 BEAB CC(C)[C@H](C)NC(=O)/C=C/c1cccnc1 40490367 WILOEAMHAGEOSR-MLRMMBSGSA-N 218.300 2.256 0 40 BEAB CC(C)C(=O)NCc1c[nH]c2ccccc12 41340927 ABMCRDHOHNQWLA-UHFFFAOYSA-N 216.284 2.440 0 40 BEAB O=C(NCC(F)(F)F)c1cccc(F)c1 42236875 BLKDVWVJNCCUEH-UHFFFAOYSA-N 221.153 2.118 0 40 BEAB Clc1cccc(OC[C@H]2CCNC2)c1 42772685 LXOOZNQVAQKDBC-VIFPVBQESA-N 211.692 2.328 0 40 BEAB COC(=O)CCC(=O)c1ccc(F)c(C)c1 49819610 NHXQDJOGXUKNOX-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB N[C@@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1 70460111 FXJHEPSVKMCFDN-GFCCVEGCSA-N 242.326 2.004 0 40 BEAB CC[C@@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2O)C1 70643960 CPHNGKRMEPWYOW-XQHKEYJVSA-N 211.349 2.458 0 40 BEAB CO[C@H](c1ccccc1)[C@H]1CCCNC1 72207902 IMQNCYAFHAKTKT-QWHCGFSZSA-N 205.301 2.374 0 40 BEAB CCOc1ccc([C@H]2CCCCN2)cn1 72211792 MUIOATMAWURDAO-LLVKDONJSA-N 206.289 2.295 0 40 BEAB Cc1nn(C)c2c(NC3CC3)nc(C3CC3)nc12 72238300 WEICFDSBISYNKP-UHFFFAOYSA-N 243.314 2.123 0 40 BEAB CC[C@@H]1CN(CCc2ccccn2)CCS1 76073845 PZZBAFVBRNPDBW-CYBMUJFWSA-N 236.384 2.452 0 40 BEAB Cc1cc(C)c(C)c([S@](=O)CCO)c1C 79112092 RLAKJNSGADUADV-HNNXBMFYSA-N 226.341 2.020 0 40 BEAB COc1ccc2c(c1Br)CNCC2 82790866 BKPATNRHYNVDDE-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB CON[C@H]1CCCOc2ccc(C)cc21 85345050 NEEUKHXOTPYHAJ-NSHDSACASA-N 207.273 2.360 0 40 BEAB O[C@H]1Cc2ccccc2[C@H]1NC(C1CC1)C1CC1 89865525 YYFMLLPGODNPGI-GOEBONIOSA-N 243.350 2.423 0 40 BEAB COc1ccc(OC)c(SC(C)=O)c1 95730952 VVKQOYYATJUZQO-UHFFFAOYSA-N 212.270 2.342 0 40 BEAB Cc1cnc(C(=O)Oc2cccc(C)c2F)cn1 96500189 NRVFYPHNXDPQLV-UHFFFAOYSA-N 246.241 2.452 0 40 BEAB Cc1cnc2c(F)c(F)c(F)c(F)c2n1 98175265 ZEXNFYBXHZRYLY-UHFFFAOYSA-N 216.137 2.495 0 40 BEAB Cc1cc(Br)cc2c1CCNC2=O 307427935 HJBLBMPEZZDWHA-UHFFFAOYSA-N 240.100 2.043 0 40 BEAB Cc1nn(-c2ncccc2F)c2c1CCC2 634605332 ILIMGMFHDHRIMP-UHFFFAOYSA-N 217.247 2.204 0 40 BEAB CCSc1ccc(N(C)C)c2nonc12 1857792626 AEMFWHVETFLRKQ-UHFFFAOYSA-N 223.301 2.401 0 40 BEAB Cc1cc2nccc(-c3cccnc3)n2n1 155471 YGXIPHKBMIQOHO-UHFFFAOYSA-N 210.240 2.100 0 40 BEAB CCOC(=O)c1c(C)noc1C(F)(F)F 165330 NHHFGKAUENFMLX-UHFFFAOYSA-N 223.150 2.179 0 40 BEAB Cc1cc2cccc(C)c2nc1SCC(N)=O 420650 LWBXARLWWRTWQG-UHFFFAOYSA-N 246.335 2.429 0 40 BEAB Nc1ncnc2c1ncn2-c1ccccc1Cl 1562349 YTUAOUMIGDCTDB-UHFFFAOYSA-N 245.673 2.051 0 40 BEAB O=C(CNC1CCCC1)c1ccccc1 1742359 BOVMFEPCNAGSHN-UHFFFAOYSA-N 203.285 2.402 0 40 BEAB CCC(CC)(C(=O)O)N(C)C(=O)c1ccccc1 1752286 INLJZEICJBMMGN-UHFFFAOYSA-N 249.310 2.402 0 40 BEAB CC(C)CO[C@@H]1C(=O)CCC[C@@H]1CCC(=O)O 4181829 IGZDTIAVSQHVMM-MFKMUULPSA-N 242.315 2.262 0 40 BEAB CN1CCC([C@H](O)c2ccccc2)CC1 5599832 QHVQCPPNGSPPHJ-CYBMUJFWSA-N 205.301 2.062 0 40 BEAB O=C(NCc1ccc(Cl)cc1)C1CC1 6332531 IUWIAYDIKAACMH-UHFFFAOYSA-N 209.676 2.366 0 40 BEAB CCOc1ccccc1N[C@@H](C)C(=O)NC1CC1 7057022 SGAAWSWKNLQWJY-JTQLQIEISA-N 248.326 2.164 0 40 BEAB CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 8447488 TWUYHXZYRXNJAN-UHFFFAOYSA-N 241.356 2.326 0 40 BEAB CCCCNC(=O)c1ccc2[nH]cnc2c1 8662339 DLEYSLRUHKCLHT-UHFFFAOYSA-N 217.272 2.093 0 40 BEAB Cc1cccc(OCC(C)(C)C(=O)O)c1 8730682 SUVJPLJPCOHDBK-UHFFFAOYSA-N 208.257 2.485 0 40 BEAB CC(=O)c1ccc(NC(=S)N(C)C)cc1 16216984 IIKNUDMFCHQJSJ-UHFFFAOYSA-N 222.313 2.148 0 40 BEAB Cc1nnc(S[C@@H]2C(=O)[C@H]3CC[C@@H]2C3)s1 16363418 NHZCQMGMHKJAIC-OOZYFLPDSA-N 240.353 2.306 0 40 BEAB Cn1nc(Cl)c2nc3ccccc3nc21 16363820 FSCMPAGRRRYRML-UHFFFAOYSA-N 218.647 2.170 0 40 BEAB Cc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@H](C)C1 22163980 KUIMRTKOXCKTBR-NFAWXSAZSA-N 248.370 2.104 0 40 BEAB CCC(=O)N[C@H]1CCOc2ccccc21 23646785 BHVNNHXVBVFBKC-JTQLQIEISA-N 205.257 2.036 0 40 BEAB Cc1cncc(C(=O)N2CCC[C@H]2C)c1 34116346 SFSGFYFLNUMYBX-SNVBAGLBSA-N 204.273 2.015 0 40 BEAB Oc1nc(-c2cccc(Br)c2)no1 37926754 WUSUENNDIGIWCF-UHFFFAOYSA-N 241.044 2.205 0 40 BEAB CC[C@H](C)[C@H]1CNCCN1C(=O)OC(C)(C)C 39952001 CEOFDGBRMUSCDU-WDEREUQCSA-N 242.363 2.241 0 40 BEAB in-vitro C[C@H](O)c1nc2ccc(Cl)cc2n1C 40417036 CSUQSNUYNQSETD-LURJTMIESA-N 210.664 2.280 0 40 BEAB in-vitro CCN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 40449151 CUGSDCDTNAJKSD-GHMZBOCLSA-N 242.363 2.432 0 40 BEAB CC[C@@H](C)Nc1ccc(C(=O)OC)cc1N 41046104 VEZGEQCQXASWHC-MRVPVSSYSA-N 222.288 2.266 0 40 BEAB CC(C)(C)c1ccc([C@H]2CNCCN2)cc1 41232066 ZJKUJEHMACJCJM-CYBMUJFWSA-N 218.344 2.218 0 40 BEAB COCCN(C)CCCOc1ccccc1 48057659 HVJVFDKFOVGQHB-UHFFFAOYSA-N 223.316 2.034 0 40 BEAB CC(=O)NCc1ccc(C(F)(F)F)cc1 48302053 JBFAQRBRZBMFKY-UHFFFAOYSA-N 217.190 2.342 0 40 BEAB Cc1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1 53815819 WGBBVHADCLLSFJ-AWEZNQCLSA-N 246.354 2.048 0 40 BEAB CCCC[C@@H](CC)CN1CCNC[C@@H]1C 54374671 CTEYDSHQPCHLCV-QWHCGFSZSA-N 212.381 2.497 0 40 BEAB CCNc1nc(CC)nc2c(C)nn(CC)c12 57355596 NZWWPZUNURGNIN-UHFFFAOYSA-N 233.319 2.149 0 40 BEAB CC(C)Oc1ccccc1OC[C@H]1CO1 59496755 GEKWRHKUUMZHKS-SNVBAGLBSA-N 208.257 2.251 0 40 BEAB CC[C@@H](C)N(C)C(=O)c1cnc2onc(C)c2c1 59892167 OKQYFFCZGROPOY-MRVPVSSYSA-N 247.298 2.402 0 40 BEAB CC(C)OCCCNC(=O)NC1CCCCC1 60476990 WMSNOIKQZUJLDR-UHFFFAOYSA-N 242.363 2.433 0 40 BEAB CCOc1ccc(-c2cccc(N)c2)nn1 61966075 VJZZQFGYRBEPRL-UHFFFAOYSA-N 215.256 2.125 0 40 BEAB CCO[C@H](CN)c1ccc(F)cc1F 62711912 CJDWEDMCTZKSBO-SNVBAGLBSA-N 201.216 2.001 0 40 BEAB C[C@@H](CCc1ccccc1)N[C@H]1CCOC1 70964725 JOOZSNTXHDGLDA-JSGCOSHPSA-N 219.328 2.386 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@@H]2CNCC[C@H]2C)c1 71412721 ZZZQPTARSXWOBL-TZMCWYRMSA-N 246.354 2.031 0 40 BEAB Cn1cc([C@H]2CCNC2)c2ccccc21 71490221 PVOOKVSJLRNITM-JTQLQIEISA-N 200.285 2.255 0 40 BEAB in-vitro Brc1cnc(-c2ccncc2)nc1 72192014 HRIIPRDJCQAMMP-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB in-vitro CN1CCC[C@@H]1c1cccnc1NC1CC1 72213703 KXRLVNPPCNWYRB-GFCCVEGCSA-N 217.316 2.423 0 40 BEAB CC[C@@H]1CCCCN1C(=O)Cn1cccc1C=O 72331886 BGBSTSUHJICMDG-GFCCVEGCSA-N 248.326 2.092 0 40 BEAB O=C(/C=C/c1cccs1)Nc1cnoc1 75170812 YANPPMYGZBYUIH-ONEGZZNKSA-N 220.253 2.388 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)CCOc1ccccc1 78536727 ABSMQPPSBRUITQ-YPMHNXCESA-N 233.311 2.180 0 40 BEAB O=C(O)[C@@H]1CNc2ccc(Cl)cc2C1 82373029 INOJHLCJPLKNIU-ZETCQYMHSA-N 211.648 2.009 0 40 BEAB O=C(c1ccc(F)cc1F)[C@@H]1CCCCN1 82600225 XXBNUYRVTZVHQQ-NSHDSACASA-N 225.238 2.290 0 40 BEAB CO[C@]1(C)C[C@H](NC(=O)c2cccnc2)C1(C)C 84668203 QSQZVXJSUUJAJQ-SMDDNHRTSA-N 248.326 2.015 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)O)C1 85210731 MBHLTXJJVQMUHJ-VIFPVBQESA-N 243.303 2.108 0 40 BEAB CCn1nc(C)cc1Cc1ccc(C(=O)O)o1 85392395 NZEHEFOIRMFCRP-UHFFFAOYSA-N 234.255 2.093 0 40 BEAB CCc1nc(CN(C)[C@@H](C)c2cccnc2)no1 89289992 VRCQVPPJWHEUCA-JTQLQIEISA-N 246.314 2.220 0 40 BEAB Cc1ncsc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 89565375 UQECXWWIKIESSX-DTORHVGOSA-N 236.340 2.180 0 40 BEAB NNc1ccc(C(F)(F)C(F)(F)F)cn1 91252254 ONRDJGYYAIXWGG-UHFFFAOYSA-N 227.136 2.021 0 40 BEAB Cc1cscc1C(=O)NCc1ncoc1C 95450897 ANOZKCRPHQMUDD-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Cc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)nc1 97372744 NVTBGSGMYWQJSJ-PHIMTYICSA-N 249.314 2.031 0 40 BEAB CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100492889 RUDPKFRFXHFGEX-WWAQEKKBSA-N 227.735 2.310 0 40 BEAB CC1(C)COC(CC(=O)c2ccccc2)=N1 101134532 MFHUBVOCBKQBAO-UHFFFAOYSA-N 217.268 2.467 0 40 BEAB CC(=O)c1c(O)c2cccc3c2n(c1=O)[C@@H](C)C3 101407169 RDFVCFGNKZADIN-ZETCQYMHSA-N 243.262 2.027 0 40 BEAB CC(C)(C)c1ccc(/C=C\C(N)=O)cc1 118350745 QEBRXZNDCHCQDS-TWGQIWQCSA-N 203.285 2.483 0 40 BEAB COc1cc(N2CCc3sccc3C2)ncn1 127639402 JUJCXJKWJUGIDJ-UHFFFAOYSA-N 247.323 2.109 0 40 BEAB O=C(O)Cc1ccc(OCc2ccccc2)cn1 143169134 MDLYGMLBJPNIPI-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB CC(C)(C(=O)O)c1ccc(Br)cn1 144109342 SZSUVMPYNIJNHN-UHFFFAOYSA-N 244.088 2.206 0 40 BEAB Nc1ncc(Br)cc1C1CC1 146174726 OKTWRKGTAMDDEZ-UHFFFAOYSA-N 213.078 2.304 0 40 BEAB CC(C)C(=O)Nc1ccc(N2CCCC2)c(N)c1 226262542 RQUCGPCDPIBHBB-UHFFFAOYSA-N 247.342 2.464 0 40 BEAB Cc1cc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1 247887567 DTWHVABTAVGVOX-SRVKXCTJSA-N 247.342 2.161 0 40 BEAB NC1(c2ccc(Cl)c(Cl)c2)COC1 258777256 UJQJXNAEXSTLAQ-UHFFFAOYSA-N 218.083 2.178 0 40 BEAB Cc1cnc(C(=O)N(C)Cc2occc2C)o1 291708058 GDAZJHWZQFQWNG-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB CN1CCCN(c2ccc3ccccc3n2)CC1 298210965 UOZVRDNTPSTDMM-UHFFFAOYSA-N 241.338 2.377 0 40 BEAB c1n[nH]cc1CNc1cncc2c1CCCC2 656776124 HOMYUBMPJQMVJN-UHFFFAOYSA-N 228.299 2.296 0 40 BEAB O=C(c1ncccc1F)N1CCC[C@H](CF)C1 881603905 AUXWCKDXEROMTD-SECBINFHSA-N 240.253 2.042 0 40 BEAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(C)C)C1 1615158196 QKVFEZTYSJSNCL-ZIAGYGMSSA-N 238.375 2.118 0 40 BEAB CP(C)(=O)c1cc(N)cc(Br)c1 1772717306 QOPWORIIOQIZGE-UHFFFAOYSA-N 248.060 2.279 0 40 BEAB Cc1ncn(-c2cccc(Cl)c2F)n1 2362803546 JMAWFMZXAFFMJA-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB COc1ccc(/C=C/C(=O)NC(C)C)c(OC)c1 147465 OTKCVRPDOXWPLR-SOFGYWHQSA-N 249.310 2.242 0 40 BEAB CC(C)(O)CC(O)(C(F)(F)F)C(F)(F)F 1623550 BXXMNESHOLNUNS-UHFFFAOYSA-N 240.143 2.003 0 40 BEAB Cc1ccnc(Nc2nc3ccccc3[nH]2)n1 1694369 SJVBZTHEVJPABX-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB Cc1cc(NC(=O)Cc2ccccc2)no1 3160945 VNMMTIDRDIZJIP-UHFFFAOYSA-N 216.240 2.164 0 40 BEAB O=S1(=O)C=C(Nc2ccc(Cl)cc2)CC1 3865824 OPYZGIVQBVLFIO-UHFFFAOYSA-N 243.715 2.412 0 40 BEAB N=c1ccn(Cc2ccc(F)cc2)cc1 494894 XXRZXNZAQGRFEX-UHFFFAOYSA-N 202.232 2.155 0 40 BEAB biogenic O=C(Nc1ccsc1C(=O)O)c1ccoc1 21955716 DFKFSJXQAJKLPN-UHFFFAOYSA-N 237.236 2.292 0 40 BEAB CCCCOC(=O)c1cc(N)ccc1OC 20155970 CJJVZMWZEGMRRO-UHFFFAOYSA-N 223.272 2.234 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H]([C@@H](CN)CO)C2 103635637 OCNAGPQNZVNTGV-ZPFDUUQYSA-N 211.349 2.016 0 40 BEAB O=C1NCCCC[C@@H]1Nc1ccc2c(c1)CCC2 12523395 LRDOLQKBSMAVMO-AWEZNQCLSA-N 244.338 2.256 0 40 BEAB O=C1C[C@@H](C(=O)O)c2c(Cl)cccc21 57496367 ZCABVHSHTGBTSM-ZCFIWIBFSA-N 210.616 2.095 0 40 BEAB Cc1ccc(C2=N[C@@H]3C=NN=C3S2)cc1 100012048 XSTVVCVONLYQME-SECBINFHSA-N 215.281 2.255 0 40 BEAB Cc1ccccc1CCN1CCC(CN)CC1 66152261 GZVOJWLVLBLULW-UHFFFAOYSA-N 232.371 2.208 0 40 BEAB Cc1nc(Cl)n(-c2ccc(F)cc2)n1 22125364 YOYKRUXJNKJIEY-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB c1cc(CCN(C[C@@H]2CCOC2)C2CC2)ccn1 58341848 PVTNCDTZBOULBA-AWEZNQCLSA-N 246.354 2.125 0 40 BEAB O=C(Cc1ccccc1)Nc1cccc(CO)c1 37975009 QUAROKLSANLNOE-UHFFFAOYSA-N 241.290 2.360 0 40 BEAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)O 12909270 NSQPVTWCPSPXRF-SSDOTTSWSA-N 240.280 2.038 0 40 BEAB C[C@H]1COCCN1C/C=C/c1ccccc1 69417845 HBMOHTCBAWZCAC-LJLILKBBSA-N 217.312 2.421 0 40 BEAB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(C)on2)c1 69562768 BSHOAKYEHIVCMS-RYUDHWBXSA-N 248.330 2.227 0 40 BEAB O=C(O)[C@H](c1ccccc1)C1(O)CCCC1 6507030 MHVVPVXRMHIATI-NSHDSACASA-N 220.268 2.160 0 40 BEAB in-vitro CNC(=O)c1cnc(-c2cccs2)s1 66607718 AGFNNEVEUIYFSP-UHFFFAOYSA-N 224.310 2.231 0 40 BEAB C[C@H](CC(=O)Nc1ccccc1)n1ccnc1 6908565 GPXFAKIOKWJEMV-LLVKDONJSA-N 229.283 2.473 0 40 BEAB CCOC[C@@H](C)Nc1cnc2c(c1)c(C)nn2C 97084900 CMKGRVQEMKVTQU-SECBINFHSA-N 248.330 2.114 0 40 BEAB O=C1CCCN1Cc1nc(C2CCCCC2)no1 72329935 KGRNCCPQUNGGOZ-UHFFFAOYSA-N 249.314 2.240 0 40 BEAB O=C(Nc1cc(F)ccc1O)c1cscn1 79014374 NDUNEIGMCIMESP-UHFFFAOYSA-N 238.243 2.240 0 40 BEAB CC(C)(C(=O)Nc1nncs1)c1ccccc1 27755144 IIGNOJZORFPHTJ-UHFFFAOYSA-N 247.323 2.454 0 40 BEAB C1CCC(c2noc([C@@H]3CCNC3)n2)CC1 62119630 YDEMCTMALQKFEI-SNVBAGLBSA-N 221.304 2.194 0 40 BEAB NCc1noc(-c2cccc(C(F)(F)F)c2)n1 41121547 KLPCNEPXRJKVHL-UHFFFAOYSA-N 243.188 2.214 0 40 BEAB COc1ccc(-c2ccc(C(=O)O)c(N)n2)cc1 217692233 HYXDPFDZDLVGOK-UHFFFAOYSA-N 244.250 2.038 0 40 BEAB COCCOc1ccc2cc(C(=O)O)oc2c1 72219722 DUUQWAFSBFIRPN-UHFFFAOYSA-N 236.223 2.156 0 40 BEAB CCN(CC)[C@@H](CN)c1cccc(C)c1 38860265 PYCOBKDXVRLWGL-ZDUSSCGKSA-N 206.333 2.337 0 40 BEAB Cc1cc(C)c(C(=O)N2CCOCC2)cc1C 74951568 MORUIFOQGLOKFM-UHFFFAOYSA-N 233.311 2.084 0 40 BEAB Brc1ccc(-c2cncnc2)nc1 45028437 HYTDKLXERYHHEX-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB N=C(N)Cc1cc(F)ccc1C(F)(F)F 228918409 BVLPZFCBDHTLBQ-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB C[C@@H]1CCCN(CCCNC(=O)C(C)(C)C)C1 46958643 MPVQRFXOJFBXPC-GFCCVEGCSA-N 240.391 2.271 0 40 BEAB CC(C)(N)c1ncccc1Br 83298929 UQTBJUNMAWZNJG-UHFFFAOYSA-N 215.094 2.038 0 40 BEAB OC[C@H](c1ccc(Cl)cc1)N1CCCC1 41246424 UMWGTFDOBBGBTJ-GFCCVEGCSA-N 225.719 2.469 0 40 BEAB Cc1nc2ccccc2n1C[C@@H]1CCCNC1 43472083 ZBFZJBXGSRCXMM-GFCCVEGCSA-N 229.327 2.344 0 40 BEAB COC(=O)c1cccn1Cc1ccc(C)o1 226033565 IBRXWCMSMCLTPL-UHFFFAOYSA-N 219.240 2.224 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1ccccc1F 96529864 JOAPWZVBSXWBCB-NXEZZACHSA-N 209.264 2.265 0 40 BEAB CCOC(=O)CSc1ncnc2ccccc12 1692342 LWXIOCGQLMXLRU-UHFFFAOYSA-N 248.307 2.285 0 40 BEAB CCn1cc(NC(=O)Cc2cccs2)cn1 58380681 ZWGVJFFJOBSXJG-UHFFFAOYSA-N 235.312 2.146 0 40 BEAB FC1(COCc2ccccc2)CCNCC1 97463391 YJJZYVSAOZSNSN-UHFFFAOYSA-N 223.291 2.295 0 40 BEAB CC[C@@H](C)[C@@H](CO)Nc1ncccc1F 84487536 CXGLKRWJIIHZHE-PSASIEDQSA-N 212.268 2.040 0 40 BEAB Cc1nc(CSc2cccc[n+]2[O-])cs1 159714 LJPXYHGQUDZEDS-UHFFFAOYSA-N 238.337 2.377 0 40 BEAB CCOc1cccc(C[C@H](C)C(=O)O)c1 11976558 LHHHNVSYSLFAJR-VIFPVBQESA-N 208.257 2.349 0 40 BEAB Cc1cnc(C(=O)NC2CCC(C)CC2)cn1 12850921 VTSZTJVKQPBDLP-UHFFFAOYSA-N 233.315 2.094 0 40 BEAB CCC[C@H](C)NC(=O)c1cnc(C)nc1C 19937108 YARGHWGTCUWXND-QMMMGPOBSA-N 221.304 2.012 0 40 BEAB C[C@@H](Cc1c(Cl)cccc1Cl)NN 161777404 BDHRUHANNZTTDR-LURJTMIESA-N 219.115 2.388 0 40 BEAB CCOc1cc2c(cc1C=O)O[C@@H](C)C2 3882880 BRNLPMZGFLCURP-QMMMGPOBSA-N 206.241 2.221 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CCC[C@]12CCC[C@@H]2N 953091173 XVRVHDJIMVKBLB-GWCFXTLKSA-N 240.347 2.267 0 40 BEAB c1cnc2nc(CN3CCCCCC3)cn2c1 27231869 LJWSVDKGXKBVEJ-UHFFFAOYSA-N 230.315 2.105 0 40 BEAB C[C@H]1c2cccn2CCN1C(=O)c1cccnc1 29378863 QSSJCDRAAUZVDD-NSHDSACASA-N 241.294 2.100 0 40 BEAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccoc1 33117061 GVAUMAXRZOCTHG-GFCCVEGCSA-N 243.262 2.013 0 40 BEAB CC[C@H]1CN(Cc2ccccn2)CCS1 76072050 PYGZQINVUWERAW-LBPRGKRZSA-N 222.357 2.409 0 40 BEAB CC(C)CNC(=O)CCOc1cccc(F)c1 40069522 VZTKTKRTOFOZLB-UHFFFAOYSA-N 239.290 2.367 0 40 BEAB CC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 30687037 NFJFNOCDIONDSY-UHFFFAOYSA-N 241.294 2.199 0 40 BEAB CC[C@@H]1c2ccsc2CCN1C(=O)NC 40490190 VFPBEEVFTYTURF-SECBINFHSA-N 224.329 2.397 0 40 BEAB COc1ccc(C(=O)N2CCCCC2)cc1 493374 QYEWGTGFLILZOS-UHFFFAOYSA-N 219.284 2.321 0 40 BEAB c1nc2nc(-c3ccc4c(c3)CCC4)ccn2n1 1395042 FEVJZHQBGIYDQY-UHFFFAOYSA-N 236.278 2.280 0 40 BEAB COC(=O)[C@@H](C)n1c(C)csc1=S 1582296 YCIZLNJNFXTTJQ-ZCFIWIBFSA-N 217.315 2.322 0 40 BEAB Cc1cc(C)nc(N[C@H](CC(C)C)C(=O)O)n1 1907113 FXYIEBKCZUKKES-SNVBAGLBSA-N 237.303 2.005 0 40 BEAB COc1ccc(/C=C/C(=O)O)c(OC)c1C 2525489 NZQCBBXHEWXSJG-FNORWQNLSA-N 222.240 2.110 0 40 BEAB NNc1nc(-c2ccc(F)cc2F)cs1 4294046 YQDKEICZUUQBGE-UHFFFAOYSA-N 227.239 2.374 0 40 BEAB CN1C(=O)S/C(=C\c2ccccc2)C1=O 8375500 PXSCNCMWGXHYFD-CLFYSBASSA-N 219.265 2.353 0 40 BEAB COc1ccccc1C(C)(C)CC(=O)O 8575917 ZHTMJDQKHVCZQX-UHFFFAOYSA-N 208.257 2.448 0 40 BEAB CC(C)Oc1ccc2[nH]c(=O)c(C=O)cc2c1 11956159 UBOALSPJJWLEMT-UHFFFAOYSA-N 231.251 2.128 0 40 BEAB Cc1c(Cl)cccc1NC(=O)Cn1cccn1 12950059 IZOASNCLGZJLNR-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB Cc1ccc(O)c(C(=O)NC2CCCC2)c1 12996361 OSSCSLHTGVCDOH-UHFFFAOYSA-N 219.284 2.373 0 40 BEAB O=c1ccc(-c2ccccc2Cl)n[nH]1 26420390 OGXMYBAVSRJNCL-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB COc1ccc(F)cc1C(=O)N1CCCC1 32895322 XAAMHSXGZSSEJH-UHFFFAOYSA-N 223.247 2.070 0 40 BEAB CCOC(=O)C1(C(=O)c2ccccc2)CC1 34199738 BSICOONDGJJXCW-UHFFFAOYSA-N 218.252 2.213 0 40 BEAB C[C@H]1CC(N)C[C@H](C)N1Cc1ccccc1 34725292 VVQHCVRZYPYZNW-RYUDHWBXSA-N 218.344 2.387 0 40 BEAB CCONC(=O)[C@H](C)Oc1cccc(C)c1C 36393840 BHWOATZDNFHBTK-NSHDSACASA-N 237.299 2.138 0 40 BEAB CCNC(=O)N1CC[C@@H](c2ccccc2)C1 38567310 DXOMGLSOFUYSJV-GFCCVEGCSA-N 218.300 2.205 0 40 BEAB C[C@@H](O)c1nc2ccc(Cl)cc2n1C 40417037 CSUQSNUYNQSETD-ZCFIWIBFSA-N 210.664 2.280 0 40 BEAB in-vitro CC1CCN(CC[C@@H]2CCCNC2)CC1 42783359 QAJRTDTVDJTEER-ZDUSSCGKSA-N 210.365 2.108 0 40 BEAB C[C@H]1C[C@@H](C)CN(Cc2nc(C3CC3)no2)C1 43999579 JCOZVKDSLFHXNN-AOOOYVTPSA-N 235.331 2.425 0 40 BEAB C[C@H](S[C@H](C)c1ccc(F)cc1)C(N)=O 45090881 YREWRJBWCBBYPF-SFYZADRCSA-N 227.304 2.494 0 40 BEAB Clc1cccc(CN[C@H]2CCCNC2)c1 53148130 JBIRPGGQBQODJX-LBPRGKRZSA-N 224.735 2.182 0 40 BEAB CN1Nc2cc3ccccc3nc2N(C)C1=O 62710297 LPLFFFBFBISRSJ-UHFFFAOYSA-N 228.255 2.063 0 40 BEAB CC[C@H](C)C(=O)N(CC)c1ccc(OC)nc1 67655730 ONTKRRQNQVBUAA-JTQLQIEISA-N 236.315 2.489 0 40 BEAB COC[C@H](C)NC(=O)c1cc(C)ccc1C 69098038 OUFQJNVEOUQFLD-NSHDSACASA-N 221.300 2.068 0 40 BEAB CCc1nnc(COc2ccccc2F)o1 69486414 SFEGEVIRWKHYKI-UHFFFAOYSA-N 222.219 2.350 0 40 BEAB NCc1nccc2c(Br)cccc12 72206997 YVJNZRQLCWGCEO-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB Cc1nn(C)c(C)c1CNc1ccccn1 72226478 SUFJBMUKLUAKAA-UHFFFAOYSA-N 216.288 2.044 0 40 BEAB CCCC[C@@H](CC)COC[C@@H](O)CN(C)C 85392000 GZNYCROFCICNNW-OLZOCXBDSA-N 231.380 2.142 0 40 BEAB CC1(C)[C@H]2CN(C(=O)c3ccco3)C[C@H]21 89917691 PQLRXIXGSUDQKA-DTORHVGOSA-N 205.257 2.008 0 40 BEAB COC(=O)C(=O)c1cc(C)c(Cl)c(C)c1 95729566 AEJOJCRTIUTPCD-UHFFFAOYSA-N 226.659 2.313 0 40 BEAB c1nc2c(c(C3CC3)n1)CCN(CC1CC1)CC2 96255120 BRDURVFCGHBCPH-UHFFFAOYSA-N 243.354 2.165 0 40 BEAB Cc1cc(CNc2nncs2)c(C)o1 96495308 JHSDAWNBSHUFMJ-UHFFFAOYSA-N 209.274 2.360 0 40 BEAB C[C@H](NCc1noc(C2CC2)n1)c1ccncc1 96501578 BUWOYAZGZJHNRG-VIFPVBQESA-N 244.298 2.193 0 40 BEAB COc1ccc(CCCN2CCC[C@@H](N)C2)cc1 96523530 MEMLZBJRSGVPGS-CQSZACIVSA-N 248.370 2.051 0 40 BEAB CN1CC[C@@H](SCc2ccccc2)C1=O 98010240 DJQAMUIWDNETMN-LLVKDONJSA-N 221.325 2.151 0 40 BEAB C[C@@]12CC[C@H](CC1=O)[C@@]2(C)CSCCO 100746624 CLVRHDSFNQCSKV-YUSALJHKSA-N 228.357 2.107 0 40 BEAB O=C(O)Cc1cc(F)cc(Cl)c1F 108378579 BHPWHBNLAKHJCL-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB O=C(O)C[C@@H](c1cccc(O)c1F)C1CC1 141621390 FMFLDERDVTYQME-SECBINFHSA-N 224.231 2.500 0 40 BEAB Clc1cnc(N2CCOCC2)c(Cl)c1 199895189 JSDSUVLBZKRIID-UHFFFAOYSA-N 233.098 2.225 0 40 BEAB CCCCNC(=O)c1cnc(C2CC2)nc1C 222559865 CEEDVOMUXLYQNO-UHFFFAOYSA-N 233.315 2.192 0 40 BEAB CCn1nccc1CNc1cnn(CC)c1C 256051391 IZAMNRILOHUMQN-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CCC(=O)N1CCC[C@H]1c1cccc(N(C)C)n1 257246704 IVKPFXBEJYFZSJ-LBPRGKRZSA-N 247.342 2.221 0 40 BEAB O=C(O)C1CC2(C1)CC(C(F)(F)F)C2 606301312 BXDXXJCIBNYERL-UHFFFAOYSA-N 208.179 2.440 0 40 BEAB Cc1c(Cl)cn2ncnc2c1Cl 888084589 DRCVRZMVYNYSFK-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB Fc1ccc(-n2cc(Br)cn2)cn1 1857793665 YRUALNJVYCJCHG-UHFFFAOYSA-N 242.051 2.169 0 40 BEAB Cc1cc(C[n+]2ccccc2)c2nsnc2c1 326336 FWGNGYUKPXJGQP-UHFFFAOYSA-N 242.327 2.336 0 40 BEAB CCOC(=O)[C@@H](O)[C@](C)(Cl)c1ccccc1 1716214 XZBUTDNPQYQZJL-ZYHUDNBSSA-N 242.702 2.065 0 40 BEAB O=C(c1cccnc1)c1ccc2c(c1)CCO2 36942104 ZKHKCIKILLGZRU-UHFFFAOYSA-N 225.247 2.248 0 40 BEAB in-vitro COc1cccc2c(C)c(C(=O)O)oc12 36924224 ZRQLDWFNRLRPCR-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB in-vitro COc1ccc(NC(=O)Cc2cccnc2)cc1 69699597 XFEYBXDGXYMCFH-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB Cc1cccc(C(=O)NCc2ccccn2)c1 341227 YABONXJHSUMWLP-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 32667681 ABMPOFILZJFHLU-LLVKDONJSA-N 243.310 2.206 0 40 BEAB COC(=O)c1[nH]c2ccc(C)cc2c1CN(C)C 486984 YFKNTUGOXWYJIC-UHFFFAOYSA-N 246.310 2.325 0 40 BEAB biogenic C[C@@H](SC1CCCC1)C(=O)N(C)C 41391455 QTTQJIOAWVYRRI-MRVPVSSYSA-N 201.335 2.139 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1ccc(CN)cc1 21951674 KYVNPYQJIIQSGK-LLVKDONJSA-N 232.327 2.160 0 40 BEAB CCc1ccccc1-n1nnc(C(=O)O)c1CC 37312262 BHTPMEUCUFGJQX-UHFFFAOYSA-N 245.282 2.090 0 40 BEAB in-vitro CCN(CC)c1ncnc2ccccc12 3163725 GBDJCFNRYXQSGW-UHFFFAOYSA-N 201.273 2.476 0 40 BEAB C=C(c1ccc(Br)cn1)N(C)C 100994755 VPEFVMHIGFXEJF-UHFFFAOYSA-N 227.105 2.376 0 40 BEAB Cn1cc(C(=O)Nc2nc(C3CC3)cs2)cn1 25562302 XNMLEGIOIJZFDI-UHFFFAOYSA-N 248.311 2.006 0 40 BEAB Ic1cccc2c1OCC2 26340270 IASDAJCCAFGOCE-UHFFFAOYSA-N 246.047 2.226 0 40 BEAB Cc1cc(CNC(=O)c2ccccc2F)no1 44409891 VPPGLXBWDXOGFM-UHFFFAOYSA-N 234.230 2.052 0 40 BEAB CNc1nnc(SCc2cccnc2)s1 27812784 PLOKCCIANKNINA-UHFFFAOYSA-N 238.341 2.267 0 40 BEAB Sc1nc(C2CC2)n(-c2ccccc2)n1 13132909 YLIGLBKYJFKWOD-UHFFFAOYSA-N 217.297 2.433 0 40 BEAB in-vitro CCn1c(N)nnc1SCc1cccc(C)c1 28250752 WAEJPWDYGKOWGX-UHFFFAOYSA-N 248.355 2.481 0 40 BEAB CC(=O)Nc1sccc1Br 26423817 MFHOMDDCHOGWHD-UHFFFAOYSA-N 220.091 2.469 0 40 BEAB OCc1c(Cl)ncn1-c1ccccc1 69949547 LGTWDTQKRJCTHX-UHFFFAOYSA-N 208.648 2.018 0 40 BEAB COCc1cccc(C(=O)Nc2cccnc2)c1 15096936 WYECYPPPKMUZLD-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB COC(=O)c1sc(C)nc1C(F)(F)F 15440518 DPUUHXWDJXFEPT-UHFFFAOYSA-N 225.191 2.257 0 40 BEAB O=C(O)[C@H](OCC(F)(F)F)c1ccccc1 19505090 LEPUWBXPJLLGGA-MRVPVSSYSA-N 234.173 2.391 0 40 BEAB CNC(=O)c1ccc(COc2ccc(F)cc2)o1 9613823 ADIJAAMCCCZNTR-UHFFFAOYSA-N 249.241 2.357 0 40 BEAB Nc1ccccc1N1C[C@H](C(F)(F)F)OC1=O 72295219 XVKHXGMAXKQROH-MRVPVSSYSA-N 246.188 2.156 0 40 BEAB in-vitro CONC(=O)N[C@H](C)CCCC(C)C 84510298 KKZILNMEANYMGF-SECBINFHSA-N 202.298 2.062 0 40 BEAB COC[C@H](C)Nc1cncc(Br)c1 84640434 IDKPZYGOZMWVBE-ZETCQYMHSA-N 245.120 2.291 0 40 BEAB CC(C)N(C[C@H]1CCNC1)C(=O)OC(C)(C)C 79437644 GFOHWUANGLHYFD-NSHDSACASA-N 242.363 2.241 0 40 BEAB NCC1(Cc2cccc(F)c2)CCOCC1 61673941 INWLMUTUNISFKF-UHFFFAOYSA-N 223.291 2.124 0 40 BEAB O=C1CN(c2nccs2)Cc2ccccc2N1 1559222671 IOZJBCANBXHBEM-UHFFFAOYSA-N 245.307 2.102 0 40 BEAB Cc1cccc(C[C@@H](C(=O)O)N2CCCC2)c1 41260666 JHYGQHNWDNGGSU-ZDUSSCGKSA-N 233.311 2.087 0 40 BEAB CN1CC=C(c2nc3ccccc3[nH]2)CC1 73636028 BKSOJXDLGZCJHP-UHFFFAOYSA-N 213.284 2.282 0 40 BEAB C[C@H](NCC1CCC1)C(=O)Nc1ccccc1 34653292 WOGCSQKIUOERNV-NSHDSACASA-N 232.327 2.403 0 40 BEAB CNCc1cnc(NC(C)(C)C)cc1C 72223983 IVNPWLKFAUWQKO-UHFFFAOYSA-N 207.321 2.320 0 40 BEAB CCOC(=O)[C@H](C#N)c1cc(F)ccc1OC 49828435 RWPADEGDFKYVGA-SNVBAGLBSA-N 237.230 2.005 0 40 BEAB Cc1cc(Cl)ccc1N(C)CC(=O)O 49815521 PPOXKWFTIGHZLR-UHFFFAOYSA-N 213.664 2.169 0 40 BEAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H](C)C1 84697737 QPZSTHFPNYBBLY-AGIUHOORSA-N 239.359 2.450 0 40 BEAB Cc1ccc([C@H](O)C2(CN)CC(C)C2)s1 85395945 UHOQGWATBWHJQM-HBWJCNCUSA-N 225.357 2.465 0 40 BEAB Cc1cccc(NC(=O)CC(F)(F)F)n1 82268649 AELOFWGYMPNTMA-UHFFFAOYSA-N 218.178 2.281 0 40 BEAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 225760611 DGBXKFVUWZAVCW-OSMVPFSASA-N 238.205 2.065 0 40 BEAB Cc1nn(C)c(C)c1OC(=O)c1ccsc1 84012299 LMQZOVVSWVMDTI-UHFFFAOYSA-N 236.296 2.318 0 40 BEAB O=C(NCc1ccoc1)OCC(F)(F)F 48263520 KRBSAKNCJSKSMZ-UHFFFAOYSA-N 223.150 2.068 0 40 BEAB OC[C@@H]1OCc2cc(Br)ccc21 90729100 GRPIPSMLEKMLJQ-VIFPVBQESA-N 229.073 2.013 0 40 BEAB CCCCC(=O)N1CCC[C@@]2(CCCCN2)C1 96047403 NGMBSZQCDGBSKA-AWEZNQCLSA-N 238.375 2.311 0 40 BEAB COc1cccc([C@@H](C)O[C@H]2CCNC2)c1 96529888 GUMLMPMDKMAAMN-MFKMUULPSA-N 221.300 2.135 0 40 BEAB CCO[C@]1(C)O[C@@H]2CC[C@H](CC)O[C@@H]2O1 247996612 DAZPUNPPZZPTGQ-LNFKQOIKSA-N 216.277 2.027 0 40 BEAB CC(=O)OCC(=O)c1c(C)cccc1Cl 389451479 TWPXVUGMMNSDIO-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB O=C(O)c1c(OC2CC2)cnc2ccccc12 685937026 HMEIBWGKCAZEQJ-UHFFFAOYSA-N 229.235 2.474 0 40 BEAB Cc1cc(NC(=O)NCc2cccs2)no1 44889805 PJYFZIZCRPWDOW-UHFFFAOYSA-N 237.284 2.366 0 40 BEAB CCCOC(=O)c1ccc(N2CCCC2)nc1 95989753 QTWCKIZHSCBONT-UHFFFAOYSA-N 234.299 2.249 0 40 BEAB CC(C)NC[C@H](CCO)c1ccccc1 95987940 IESHWPBWMKABRE-ZDUSSCGKSA-N 207.317 2.151 0 40 BEAB CCCCN[C@H](Cc1ccccc1)C(=O)O 1692313 XJUJRXBTMCGHTA-GFCCVEGCSA-N 221.300 2.072 0 40 BEAB c1ccc(-n2nc3c4ccccc4cc[n+]3n2)cc1 2556058 HTIKOTCKZZJGCQ-UHFFFAOYSA-N 247.281 2.159 0 40 BEAB c1ccc2c(c1)CCCN2CCn1cccn1 60569284 RGOUFVGGBKIEMX-UHFFFAOYSA-N 227.311 2.336 0 40 BEAB CCCN1CCN(c2ccccc2OC)CC1 1663859 CXGGCNYHKKNQGW-UHFFFAOYSA-N 234.343 2.227 0 40 BEAB in-vivo CC[C@H](C)C(=O)N[C@@H](C)Cc1ccco1 40074694 WMPBOUCRBQIJKZ-UWVGGRQHSA-N 209.289 2.373 0 40 BEAB Cc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1 367352 QKBSZOSHZUKTPV-FLIBITNWSA-N 246.335 2.025 0 40 BEAB O=C(O)[C@@H]1CNC[C@H]1c1ccc2ccccc2c1 4241647 FXFJYUXPFQIPNN-UONOGXRCSA-N 241.290 2.227 0 40 BEAB CCCNC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 5014081 SSBRZLQUFVASLA-KGLIPLIRSA-N 237.343 2.298 0 40 BEAB CC[C@@]1(c2ccccc2)C[C@@H](C)C(=O)NC1=O 5469182 ZXNKZQSZQMLQKI-YGRLFVJLSA-N 231.295 2.017 0 40 BEAB CNc1nc(-c2ccc(O)cc2O)cs1 7780740 BUKDCGGJXBHTEV-UHFFFAOYSA-N 222.269 2.263 0 40 BEAB Cn1ccnc1C(=O)c1cccc(Cl)c1 11691807 ZWNWXGPKERPVDA-UHFFFAOYSA-N 220.659 2.305 0 40 BEAB OC[C@@H]1CCN(c2cccc(Cl)c2)C1 11892863 KVSFIGCLPJFPCQ-SECBINFHSA-N 211.692 2.159 0 40 BEAB Fc1ccccc1CSc1ncn[nH]1 11990302 JSCJXOMZAPTHDW-UHFFFAOYSA-N 209.249 2.236 0 40 BEAB c1ccc(CCCOC[C@@H]2CCNC2)cc1 14632401 ISNKCFQEGUYCAU-CQSZACIVSA-N 219.328 2.245 0 40 BEAB NC(=S)c1ccc(N2CCCCC2)cc1 19866985 FAOANRLDQGLMRC-UHFFFAOYSA-N 220.341 2.311 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(Cl)cc1N 20156119 SQAQTTFKAZTWQQ-ZETCQYMHSA-N 226.707 2.451 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCNC1 20269743 BJKHBBWEOSYKIM-CQSZACIVSA-N 246.354 2.035 0 40 BEAB C[C@H]1CC[C@@H](NCCN2CCCCC2)C1 22455358 OIFGPLMAELDRMO-QWHCGFSZSA-N 210.365 2.251 0 40 BEAB CC(C)CC(=O)N1CCn2cccc2[C@@H]1C 32753025 UARJCWKQXWKISK-NSHDSACASA-N 220.316 2.437 0 40 BEAB Cc1cccc(C(=O)N2CCCCC2)n1 32909025 YHWORYFOJFDLJB-UHFFFAOYSA-N 204.273 2.016 0 40 BEAB Cc1c(C(=O)O)cnn1-c1cccc(F)c1 36016562 NMYPNJABHZPXDL-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB COC(=O)c1cccc2c1OC(C)(C)C2 39118233 CVBTZBQEXQYDPR-UHFFFAOYSA-N 206.241 2.187 0 40 BEAB O=C1COc2cc(C(F)(F)F)ccc2N1 40448216 OGRPFRMNFZIHCT-UHFFFAOYSA-N 217.146 2.036 0 40 BEAB CC(C)c1ccc([C@H](CO)N(C)C)cc1 41216299 CABFXVCMCGNFKO-ZDUSSCGKSA-N 207.317 2.405 0 40 BEAB O=C(OCC[C@H]1CCCCN1)C1CCCC1 42769376 AYSSBWPERVKKAC-GFCCVEGCSA-N 225.332 2.252 0 40 BEAB CCCc1ccc(O[C@H]2CCNC2)c(OC)c1 42782941 TXKGFPJVZDQMNH-LBPRGKRZSA-N 235.327 2.388 0 40 BEAB in-vitro CCc1nc2cc(OC)cc(C(=O)OC)c2o1 43827890 ZXYOJWVCEZKXBA-UHFFFAOYSA-N 235.239 2.185 0 40 BEAB COc1ccccc1-c1ccc(=O)[nH]c1 44062991 WEQCQSDGKZFVCF-UHFFFAOYSA-N 201.225 2.051 0 40 BEAB Nc1nccc(-c2cccc(Cl)c2)n1 44713505 VKXBPDWBNXTLPW-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB in-vitro COCc1ccccc1NC(=O)NCC1CC1 46033338 MXGSYNHPTMGJEQ-UHFFFAOYSA-N 234.299 2.365 0 40 BEAB CC(C)CC(=O)N[C@@H](C)c1cccnc1 48332835 MLWUQMRTTAACAU-JTQLQIEISA-N 206.289 2.305 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)CC[C@@H]21 51943431 FAFPNFIAMGOSNB-ONGXEEELSA-N 239.315 2.365 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)C1CCOCC1 58230706 QVDCHSZTIPFJNY-CMPLNLGQSA-N 225.332 2.108 0 40 BEAB CN1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72355462 SZDSNPRZUPTALK-GFCCVEGCSA-N 242.326 2.077 0 40 BEAB CNc1nccnc1[C@H]1CCCN(CC2CC2)C1 72361356 UMNLONUFXOGMRG-LBPRGKRZSA-N 246.358 2.108 0 40 BEAB COCOc1ccc(C=O)cc1Br 83748984 WZLQQALKAOQXDZ-UHFFFAOYSA-N 245.072 2.244 0 40 BEAB C[C@H](Oc1ccc(OCC2CCC2)cc1)C(N)=O 89369107 CZYSKUKQWFHDNN-JTQLQIEISA-N 249.310 2.118 0 40 BEAB CCC(CC)C(=O)NC[C@H](CC(C)C)C(=O)O 89943069 QIEKVWBOSOSWQO-NSHDSACASA-N 243.347 2.286 0 40 BEAB Fc1ccc(-c2nnn[nH]2)cc1C(F)(F)F 90558393 DJAVSIDVPRVJEA-UHFFFAOYSA-N 232.140 2.025 0 40 BEAB COc1ccc2ccn(CCCF)c(=O)c2c1 92333455 VTVZIZCRUGPGTL-UHFFFAOYSA-N 235.258 2.370 0 40 BEAB COC(=O)c1sc(N)nc1C1CCCC1 95347774 IECJHQIWEWZCJR-UHFFFAOYSA-N 226.301 2.170 0 40 BEAB in-vitro CCO[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96048117 VKQHZEVAOQSGGB-ZDUSSCGKSA-N 239.359 2.056 0 40 BEAB C[C@H](N)CN(Cc1ccco1)C1CCCC1 96523888 XJPCBTIADHGJKE-NSHDSACASA-N 222.332 2.371 0 40 BEAB O=C1COc2cc(Br)c(F)cc21 97439034 CCLBQZQWCFUWOJ-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB in-vitro CO[S@@](=O)c1cccc(Br)c1 114902309 QNGDLQBWPLJQKQ-NSHDSACASA-N 235.102 2.118 0 40 BEAB CC(=O)c1ccc(O)c2nc(C)ccc12 116237703 GIOVQWFAAOPECM-UHFFFAOYSA-N 201.225 2.451 0 40 BEAB N[C@@H]1CCC[C@H]1Oc1ncc(Cl)cc1F 131666337 KNIQKTBLJRSFAO-RKDXNWHRSA-N 230.670 2.133 0 40 BEAB CCNCc1cc(C2CC2)nn1C(C)C 256051807 KOCCVXISABOQFM-UHFFFAOYSA-N 207.321 2.451 0 40 BEAB Cc1c(CNCc2ccc(F)s2)cnn1C 256054195 VHPZETMMOZKGRN-UHFFFAOYSA-N 239.319 2.219 0 40 BEAB C[C@@H](F)[C@@H]1CN(Cc2ccccc2)CCO1 261506721 AILCJMUBAAZTJT-YPMHNXCESA-N 223.291 2.245 0 40 BEAB c1ccc([C@H]2CO[C@@]3(CCCNC3)C2)cc1 306125779 DBXZIYYRNBVLBF-KGLIPLIRSA-N 217.312 2.313 0 40 BEAB Cc1ccc(C)c(OCc2cc(=N)[nH]n2C)c1 408717409 ZRIBOCZAZWSCFX-UHFFFAOYSA-N 231.299 2.029 0 40 BEAB Fc1c(C2CC2)ncnc1N1CCSCC1 1888834113 NFLOSGFZVWDWQL-UHFFFAOYSA-N 239.319 2.046 0 40 BEAB c1ccc(-c2noc(C3CCC3)n2)nc1 114114 FCTPHBMVNNDUSQ-UHFFFAOYSA-N 201.229 2.399 0 40 BEAB CCc1ccccc1NC(=O)CC(C)=O 561089 BSGZZIRKDQLKBD-UHFFFAOYSA-N 205.257 2.167 0 40 BEAB in-vitro FC(F)(F)c1cnc(-n2cncn2)c(Cl)c1 1397405 TWAIJPDVWWJJME-UHFFFAOYSA-N 248.595 2.335 0 40 BEAB CCCCn1cnc2c(=S)[nH]cnc21 1566906 HRAKJMXGVYBTRV-UHFFFAOYSA-N 208.290 2.289 0 40 BEAB Cc1ccc2c(c1)c(C)c(C)c(=O)n2C 1700620 PGRDMRAJCLXYCD-UHFFFAOYSA-N 201.269 2.464 0 40 BEAB CCOc1c(C(=O)O)cnc2ccccc12 1722731 YTCMZEDRPPHCQF-UHFFFAOYSA-N 217.224 2.332 0 40 BEAB COC(=O)[C@H](C)c1cc2ccccc2[nH]1 2041544 GAMURTSIMKWGEJ-MRVPVSSYSA-N 203.241 2.444 0 40 BEAB O=C(O)C1=COc2ccc(Cl)cc2C1 5224616 WSIGFQSOVVENKJ-UHFFFAOYSA-N 210.616 2.243 0 40 BEAB O=C(O)[C@H](Cc1ccccn1)c1ccccc1 11570613 NFTPZFXXVNZGAD-CYBMUJFWSA-N 227.263 2.493 0 40 BEAB in-vitro Oc1n[nH]c2cc(C(F)(F)F)ccc12 14985811 QCNQBLFRKWASJA-UHFFFAOYSA-N 202.135 2.287 0 40 BEAB in-vitro CN(c1ccc(N)nc1)C1CCCCC1 19868305 HTIGUWMNHKPADJ-UHFFFAOYSA-N 205.305 2.433 0 40 BEAB CCOc1cccc(Cl)c1C(=O)O 20080384 NQYCWKVXKAVSAC-UHFFFAOYSA-N 200.621 2.437 0 40 BEAB COC(=O)c1ccc(OCC(F)F)cc1 20348975 JDFZOAUZNQLIHG-UHFFFAOYSA-N 216.183 2.117 0 40 BEAB CCOP(=O)(OCC)[C@H](N)C(F)(F)F 20840880 BPFUBLZRCYWAEB-YFKPBYRVSA-N 235.142 2.100 0 40 BEAB CONC(=O)COc1ccc(C(C)(C)C)cc1 25823092 NXZZCKDUVDWRGE-UHFFFAOYSA-N 237.299 2.041 0 40 BEAB CCCCCO/C=C/CN1CCOCC1 31335077 DLGWOOVMZICLKI-BJMVGYQFSA-N 213.321 2.039 0 40 BEAB CC1(C)C(C)(C)C1(Br)C(=O)O 34521108 SORXNBIERLSHNH-UHFFFAOYSA-N 221.094 2.271 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H](C)CO 35603613 OVEVDEOBJBFKSD-YVECIDJPSA-N 213.365 2.418 0 40 BEAB O=C(O)c1cnc(-c2ccc3c(c2)CCO3)s1 37362523 IWNHLYGNTGDUNG-UHFFFAOYSA-N 247.275 2.443 0 40 BEAB in-vitro O=C(c1csnn1)N1CCCc2ccccc21 41611318 HVVOFFSZCXMFDB-UHFFFAOYSA-N 245.307 2.131 0 40 BEAB COC(=O)c1cc(C(=O)CC(C)C)cn1C 52518189 PXIGXRAHYDPILP-UHFFFAOYSA-N 223.272 2.041 0 40 BEAB COC[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 56921943 VOKFEZJZLUJWLQ-CYBMUJFWSA-N 247.338 2.494 0 40 BEAB CC(C)[C@H](C)NC(=O)c1ccnc(NC2CC2)c1 58418907 CBHSMCHHXOTIDL-JTQLQIEISA-N 247.342 2.430 0 40 BEAB Cc1nc(CN[C@@H](C)[C@H](C)n2cccn2)oc1C 69948465 FQOYZOCQOSKBJA-ONGXEEELSA-N 248.330 2.227 0 40 BEAB Clc1cccc(CNC[C@H]2CCCNC2)c1 72202843 LXZUYDDWGZWIRD-LBPRGKRZSA-N 238.762 2.429 0 40 BEAB CC[C@@H](OC)c1ccc(CC(=O)OC)cc1 72220176 KOLXSNZTPZZQOL-GFCCVEGCSA-N 222.284 2.500 0 40 BEAB COc1ccc(F)cc1C(F)(F)C(=O)O 72297336 SPFGBWKTEVKCCJ-UHFFFAOYSA-N 220.146 2.011 0 40 BEAB in-vitro CN(C)C(=O)c1c(O)cc(Cl)cc1Cl 81931861 LZTBHMJATDYHJV-UHFFFAOYSA-N 234.082 2.401 0 40 BEAB COc1cccc(F)c1[C@@H](O)C(F)(F)F 84933500 PJCOTFDJDCLVEU-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB CC(C)c1noc(N2C[C@@H]3CCC[C@H]3C2)n1 89893649 IRMPPCMVYNSYQA-UWVGGRQHSA-N 221.304 2.429 0 40 BEAB CC(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 89930449 CAXLOOYEXSXMHO-ZDUSSCGKSA-N 241.294 2.033 0 40 BEAB O=C(O)c1ccc(F)cc1OC(F)(F)F 91252017 GSEJXXUTVPFRRV-UHFFFAOYSA-N 224.109 2.423 0 40 BEAB in-vitro Clc1ccc(Cc2noc(C3CNC3)n2)cc1 92698989 IULQYZJENKCEMR-UHFFFAOYSA-N 249.701 2.001 0 40 BEAB O=C(NCCn1cccc1)[C@H]1C[C@H]1c1ccco1 96449883 XQOQKFLYYGFBKS-NEPJUHHUSA-N 244.294 2.001 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1ccc(F)cc1 96529850 BYYSIIGQQQFDCJ-CABZTGNLSA-N 209.264 2.265 0 40 BEAB COc1ccc(C(=O)C(F)F)c(OC)c1 163959507 NZBQAWUPTFOLOC-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB COc1ccc(CCN[C@H]2CCCC[C@@H]2N)cc1 218856483 PHQGZTBHYWLDBZ-GJZGRUSLSA-N 248.370 2.097 0 40 BEAB COCCc1ccc(C=O)n1CC(C)C 226030316 WVVDUVNFAKTFSL-UHFFFAOYSA-N 209.289 2.146 0 40 BEAB O=C(Nc1ccnc(Cl)c1)C1CCOCC1 236043218 YZLZSLLKZJLBQH-UHFFFAOYSA-N 240.690 2.100 0 40 BEAB O=C1C[C@@H]2[C@@H]3C=C(Br)[C@@H]4[C@H]3C[C@H]2[C@H]14 245285149 WAWOSPOONYNJAN-DOMHMLRTSA-N 239.112 2.366 0 40 BEAB COc1cccc(CNc2cn(C)nc2OC)c1 256054795 XVJNYXJDCKEPMO-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB Cc1nccc([C@H]2CN(C3CCCC3)CCO2)n1 257304250 SKSURSFCXCXWQE-CQSZACIVSA-N 247.342 2.101 0 40 BEAB COCC(C)(C)CN[C@H]1CSC1(C)C 336646030 CJNWGBOOXKKGKT-VIFPVBQESA-N 217.378 2.143 0 40 BEAB C[C@@H]1CN(c2ncc(C(=O)O)s2)[C@H](C)[C@H]1C 399551428 BONFVHCNCNLXEH-GJMOJQLCSA-N 240.328 2.322 0 40 BEAB O=c1cc(OCC2CC=CC2)nc2ccccn12 585652486 NXBWPSVDFHOXON-UHFFFAOYSA-N 242.278 2.040 0 40 BEAB CN(C(=O)c1cc2cnccc2[nH]1)C(C)(C)C 823658845 FPIXXONEAWWJLU-UHFFFAOYSA-N 231.299 2.433 0 40 BEAB CC[C@@H](C)N1CCC[C@@H](COc2ncccn2)C1 1849204550 XXJIFBNHHCLLBU-CHWSQXEVSA-N 249.358 2.366 0 40 BEAB Cc1cc(N2CCOCC2)c2ccccc2n1 120748 MVHYZDDSGBXCEZ-UHFFFAOYSA-N 228.295 2.380 0 40 BEAB CC1CCN(C(=O)c2ccc(N)cc2)CC1 873655 SOVNVUQEIMQSDL-UHFFFAOYSA-N 218.300 2.141 0 40 BEAB in-vitro COc1cc([C@H]2OCC[C@H](C)O2)ccc1O 1676492 ZVJUAEJHNVXHHC-UFBFGSQYSA-N 224.256 2.225 0 40 BEAB O=C(Cc1ccc(F)cc1)C(F)(F)F 2517999 RXEDPCRQZJYHIX-UHFFFAOYSA-N 206.138 2.500 0 40 BEAB CCc1ccc2[nH]cc(CC(=O)O)c2c1 2581993 ZWXOHBRBIAQHFP-UHFFFAOYSA-N 203.241 2.357 0 40 BEAB in-vitro COc1cc(SC)c(OC)cc1C[C@H](C)N 3652060 COBYBOVXXDQRAU-QMMMGPOBSA-N 241.356 2.315 0 40 BEAB CCOC(=O)[C@H]1CC2(CCCC2)N2CCC[C@H]12 4344017 SQVGKJHPVVUQEZ-NWDGAFQWSA-N 237.343 2.347 0 40 BEAB CN(C)c1cc[n+](Cc2ccccc2)cc1 4399822 WFCLXYFMXYSPQT-UHFFFAOYSA-N 213.304 2.088 0 40 BEAB in-vitro CC(C)(CC(=O)O)CC(=O)N1CCCCCC1 4691128 XUHFDACVTNYHBB-UHFFFAOYSA-N 241.331 2.280 0 40 BEAB O=C(c1ccncc1)N1CCc2ccccc2C1 6341724 UWJFZEPVRXCFCN-UHFFFAOYSA-N 238.290 2.280 0 40 BEAB CCOc1ccccc1NC(=O)c1cc(C)n[nH]1 6736857 PYWIBGZECGXDKB-UHFFFAOYSA-N 245.282 2.369 0 40 BEAB Cc1ccc(O[C@H](C)C(=O)N(C)C)c(C)c1 8478232 ULMAHTSLPNRPEG-LLVKDONJSA-N 221.300 2.159 0 40 BEAB Cc1cc(C)c2c(N)c(C(=O)N(C)C)sc2n1 12249834 ZBOXEORQEUDFJE-UHFFFAOYSA-N 249.339 2.197 0 40 BEAB O=C(NCc1ccccc1Cl)NC1CC1 12986622 YAAFZYRRQADBKY-UHFFFAOYSA-N 224.691 2.302 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=S)NC2CC2)C1 13827484 ZDPKKDDUHJJTQO-RKDXNWHRSA-N 212.362 2.001 0 40 BEAB CN(C)CCOc1ccc(N)cc1C(F)(F)F 14630162 HAHDHZOCVXMPRK-UHFFFAOYSA-N 248.248 2.228 0 40 BEAB in-vitro CCNC(=O)Nc1ccc(F)c(F)c1 19075097 GIRJYYKCEHVIOW-UHFFFAOYSA-N 200.188 2.106 0 40 BEAB CCCN1CN(Cc2ccccc2)CNC1=S 20171165 UDQGEPCHVCVEEX-UHFFFAOYSA-N 249.383 2.004 0 40 BEAB N=C1NC(=O)S/C1=C\c1ccccc1O 20566918 GZOVQDFTNKAIOM-YVMONPNESA-N 220.253 2.167 0 40 BEAB COCc1nc(Cl)nn1-c1ccccc1 22125626 QZIUKUZDEBLXHA-UHFFFAOYSA-N 223.663 2.067 0 40 BEAB O=C(O)c1cccc2c(-c3ccncc3)[nH]nc12 31991987 LEABALOSHKYCHF-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB CC[C@@H](C)N(CC(=O)O)Cc1ccccc1 32013859 GYCZQGPHLREAJS-LLVKDONJSA-N 221.300 2.372 0 40 BEAB Nc1cnc(-c2ccc(Cl)cc2)nc1 32236288 UCSVQZUYAADABE-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB CCOC(=O)c1cc(=O)c2cc(C)ccc2[nH]1 32919184 OVYHKZPPEZVZOC-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB COC[C@H](C)NCc1cc(Cl)ccc1OC 35180117 TVFDSYLPHGBJRP-VIFPVBQESA-N 243.734 2.473 0 40 BEAB COC(=O)c1[nH]cc(-c2ccc(C)cc2)c1N 35462722 MEBVPZNVDVGZCL-UHFFFAOYSA-N 230.267 2.359 0 40 BEAB Cc1ccsc1C(=O)Nc1cnn(C)c1 36763806 AEKBKWUJGHSMRF-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB CN(C)[C@@](C)(C(=O)O)c1ccc(Cl)cc1 37357861 CYKHMICFOPJKFO-LLVKDONJSA-N 227.691 2.201 0 40 BEAB in-vitro CC[C@@H](C)N(CC(=O)O)C(=O)CC1CCCC1 37870839 VEAGQAUAYRGLQJ-SNVBAGLBSA-N 241.331 2.278 0 40 BEAB O[C@@H]1CCCC[C@H]1n1cc(Br)cn1 38054720 GJHKMCHQSPMGNB-RKDXNWHRSA-N 245.120 2.122 0 40 BEAB O=C(O)c1c[nH]c(=S)n1Cc1ccccc1 39293352 VNSNNZZLMSTDNR-UHFFFAOYSA-N 234.280 2.292 0 40 BEAB Fc1cccc(F)c1COC[C@H]1CCCNC1 42782984 FODBEWUXCNZEMM-JTQLQIEISA-N 241.281 2.481 0 40 BEAB CC(C)C(=O)NCCCOc1ccccc1F 44891446 YYJSRTMEXFAXSW-UHFFFAOYSA-N 239.290 2.367 0 40 BEAB COCC(=O)NCc1ccc2ccccc2c1 45201939 NPUAAUAEUGVJIY-UHFFFAOYSA-N 229.279 2.102 0 40 BEAB Cc1cc(NC(=O)Cc2cccc(F)c2)[nH]n1 48602401 FAKOCDGHKXNXSJ-UHFFFAOYSA-N 233.246 2.038 0 40 BEAB O=C(NCc1cccs1)N1CCCC1 48644020 BAUUNQAKOJSGCY-UHFFFAOYSA-N 210.302 2.054 0 40 BEAB C[C@H](S[C@H](C)c1ccccc1F)C(N)=O 48681393 JHDFKNYBYMQRGO-SFYZADRCSA-N 227.304 2.494 0 40 BEAB CCN(C(=O)OC(C)(C)C)[C@@H](C)CC(=O)O 61178387 IUUKGOAOKYNXBM-QMMMGPOBSA-N 231.292 2.107 0 40 BEAB CC[C@H](C)NCc1cnc(SC)nc1 62717221 XTWDLIYMPFGZSZ-QMMMGPOBSA-N 211.334 2.087 0 40 BEAB CCOC(Cn1nc(C)c(CC)c1C)OCC 66324247 FPFZYYLOMPTRIM-UHFFFAOYSA-N 240.347 2.461 0 40 BEAB C[C@H](C(=O)N(C1CCCC1)C1CC1)n1ccnc1 71886420 UVLFBGJGAHSWNT-LLVKDONJSA-N 247.342 2.378 0 40 BEAB Cc1nc([C@H]2CCCN2C(=O)CC(C)C)no1 72361280 LNEORWDCCPSSJD-SNVBAGLBSA-N 237.303 2.088 0 40 BEAB Cc1ccc(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1C 76022909 XKZQIKIBJLZXBT-CHWSQXEVSA-N 244.338 2.372 0 40 BEAB N[C@@H]1CCCn2cc(-c3ccc(F)cc3)nc21 76028296 HBXAMQFTAKPACU-LLVKDONJSA-N 231.274 2.483 0 40 BEAB Nc1nc2c(-c3cccc(F)c3)cccn2n1 82730751 MIWUJXYWEOUDCI-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB Cc1nc(CNc2ccc3n[nH]nc3c2)cs1 84274827 YOMFJBNLQORJIH-UHFFFAOYSA-N 245.311 2.335 0 40 BEAB O=C(O)c1ncsc1Cc1ccccc1 85389426 HVKBEODEJZOBGK-UHFFFAOYSA-N 219.265 2.432 0 40 BEAB in-vitro Nc1cc(F)cc(OCC(F)(F)F)c1 87800023 QGEIYYLROCNADB-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB Cc1ncsc1C(=O)N1C[C@H]2CC=CC[C@@H]2C1 89565380 HBCWDHGFWLMXHF-GHMZBOCLSA-N 248.351 2.490 0 40 BEAB CON(C)C(=O)c1c(Cl)ccnc1Cl 95093613 JXLSGIVAKSNROJ-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB C[C@@H]1CCCC[C@H]1NCCSCCCO 95421995 RXJGGMILHZTIAR-VXGBXAGGSA-N 231.405 2.270 0 40 BEAB Cc1nc(COC(=O)[C@@H]2C[C@@H]2C)sc1C 96442724 QJBXIPPMUWFIFT-IMTBSYHQSA-N 225.313 2.459 0 40 BEAB O=C(Nc1ccncc1)NC1[C@@H]2CCCC[C@@H]12 104260948 FRNSQXDSKQZOSF-GHMZBOCLSA-N 231.299 2.392 0 40 BEAB CCCCn1ccc(Br)cc1=O 115094233 YGDYYFREKABGJV-UHFFFAOYSA-N 230.105 2.411 0 40 BEAB CSc1ccccc1-n1cc([C@H](C)O)nn1 163369382 LFOYFCQMHRAOJJ-QMMMGPOBSA-N 235.312 2.043 0 40 BEAB O=C(NC[C@H]1CC[C@H](O)C1)OCc1ccccc1 199714244 YIKGCGVKXMVDMH-STQMWFEESA-N 249.310 2.074 0 40 BEAB CC(C)(C)OC(=O)Cc1cccnc1F 199830078 GWOLCWLAAJBKCG-UHFFFAOYSA-N 211.236 2.105 0 40 BEAB Cc1ccc2nccc(NCCCN)c2c1 212069761 YKYCFHNWGLMPHR-UHFFFAOYSA-N 215.300 2.304 0 40 BEAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C 585319490 BKGZRMZGTNFJMW-ZACCUICWSA-N 225.332 2.201 0 40 BEAB CCOc1nc2ccc(F)cc2cc1C(=O)O 685937720 XWRSYBMZPZTSST-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB C[C@@H](CC(=O)O)CC(=O)Nc1ccc(F)cc1 100924 ZHXFWLHEVUOFRR-MRVPVSSYSA-N 239.246 2.265 0 40 BEAB Cn1c(S)nnc1-c1ccc2ncccc2c1 171319 IFCXDXLPFAHKJP-UHFFFAOYSA-N 242.307 2.319 0 40 BEAB COC(=O)c1[nH]c2ccc(Cl)cc2c1C=O 530438 JXHMATBIESDKPS-UHFFFAOYSA-N 237.642 2.420 0 40 BEAB O=C(NCCc1c[nH]c2ccccc12)C1CC1 1645258 PSCPACQGRRXTCA-UHFFFAOYSA-N 228.295 2.237 0 40 BEAB CC[C@H]1Cc2ccc(OCCN(C)C)cc2C1=O 1668203 BPUDGFCZEXQFIV-NSHDSACASA-N 247.338 2.392 0 40 BEAB Cc1cccc(N[C@@H]2SC(=O)N(C)C2=O)c1 4450740 RGMQJQCTVWKQPF-SECBINFHSA-N 236.296 2.058 0 40 BEAB Cc1cc(O)cc2occ(-c3ccon3)c(=O)c12 6556534 FZVRPKIOJUXTGE-UHFFFAOYSA-N 243.218 2.462 0 40 BEAB Cc1cc(C(=O)NC2CCC(C)CC2)[nH]n1 6942709 QIWROJIDXGXMPW-UHFFFAOYSA-N 221.304 2.027 0 40 BEAB COc1ccc(N)cc1NC(=O)CC(C)C 8703549 GIGWBJWMGFCSHF-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB in-vitro O=C(O)C1CCC(C(=O)c2ccco2)CC1 20479531 WHUFVYMAQVDJJQ-UHFFFAOYSA-N 222.240 2.353 0 40 BEAB CCCc1noc(-c2sc(N)nc2CC)n1 22121389 YUGBGAFTOYQQOB-UHFFFAOYSA-N 238.316 2.290 0 40 BEAB CC(C)[C@@H](CN)N1CCc2ccccc2C1 22916131 RCCFGZZNNHSKTO-CQSZACIVSA-N 218.344 2.028 0 40 BEAB in-vitro Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)s1 27919532 GQBSOUPSFJYLJW-VIFPVBQESA-N 249.339 2.281 0 40 BEAB CSc1nc2cc3nc(C)[nH]c3cc2[nH]1 33373876 SLIBAPGXOKHODI-UHFFFAOYSA-N 218.285 2.470 0 40 BEAB O=C1CCc2cc(Br)c(O)cc21 38524688 XKGAEEAGMAAAJE-UHFFFAOYSA-N 227.057 2.284 0 40 BEAB CC[C@@H](C)c1ccc(OCC(N)=O)cc1 40456769 RBMRJIKWOBGISU-SECBINFHSA-N 207.273 2.064 0 40 BEAB O=C(c1ccc(C2OCCO2)s1)C1CC1 43210355 CXKVBIRMCPUHPJ-UHFFFAOYSA-N 224.281 2.386 0 40 BEAB Cn1ccc2cc(/C=C/C(=O)O)ccc21 63772495 IZZVPUQKWOCNSS-HWKANZROSA-N 201.225 2.276 0 40 BEAB Cc1ccc(-c2[nH]cnc2C(=O)O)cc1 71508366 ZOMPJGDKPYWDTG-UHFFFAOYSA-N 202.213 2.083 0 40 BEAB CNc1ccc(CNC(=O)OC(C)(C)C)cn1 72225101 VKMGEECPKXJROS-UHFFFAOYSA-N 237.303 2.148 0 40 BEAB Cc1nc(C(N)=O)ccc1-c1cc(F)cc(F)c1 72233464 RZNYFKZMZMODFX-UHFFFAOYSA-N 248.232 2.434 0 40 BEAB CC(=O)c1c(F)cccc1NCC1(O)CCC1 74749346 HDLJNJLXDHGDIT-UHFFFAOYSA-N 237.274 2.355 0 40 BEAB Cc1cc(C[C@H](C)N)nc2ccccc12 82780277 VPDRPPJJAAPPFR-JTQLQIEISA-N 200.285 2.433 0 40 BEAB Cc1cccc([C@H]2CCCN2C(=O)CCN)c1C 83932536 XDRTYMOCZRHOPN-CQSZACIVSA-N 246.354 2.316 0 40 BEAB O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@@H]1c1ccco1 89794477 QIEGNWXQQIJIHU-SRVKXCTJSA-N 249.310 2.068 0 40 BEAB COc1ccc(CN)cc1OC(F)(F)F 91252310 BTJPFKPXDALAFM-UHFFFAOYSA-N 221.178 2.053 0 40 BEAB CCc1nn2c(c1C1CCNCC1)CCCC2 91690490 UJTXSCJEZAWWDU-UHFFFAOYSA-N 233.359 2.249 0 40 BEAB OC[C@H]1CCCN1Cc1ccc(Cl)c(F)c1 92471087 WUTVJIOVDCYSAR-SNVBAGLBSA-N 243.709 2.436 0 40 BEAB C[C@H](SC[C@@H](O)CO)c1ccccc1Cl 95407561 CBFZXGWCUUALQN-IUCAKERBSA-N 246.759 2.487 0 40 BEAB Cc1nc(CNc2cc(F)c(F)cc2F)no1 97080267 IQTLKJVRMCIPAL-UHFFFAOYSA-N 243.188 2.407 0 40 BEAB C[C@@H](N)C1CCN(C2Cc3ccccc3C2)CC1 97212365 AWONGSNJZJSOQC-GFCCVEGCSA-N 244.382 2.213 0 40 BEAB CC1CCC(N(C)C(=O)COCC2CC2)CC1 97334439 RSYRIXYWAZEZOH-UHFFFAOYSA-N 239.359 2.450 0 40 BEAB CCN(C)C(=O)Nc1cnn(-c2ccccc2)c1 98013148 CTKJAIPALBCVFU-UHFFFAOYSA-N 244.298 2.356 0 40 BEAB Cn1ccnc(Sc2ccccc2F)c1=O 98013769 BNHFNXILWYZSGO-UHFFFAOYSA-N 236.271 2.071 0 40 BEAB O=C(NCc1ccco1)C1[C@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100077571 DOHVNPVMJWEUJI-LXGCPNAGSA-N 231.295 2.188 0 40 BEAB Cn1[nH]c(=S)s/c1=N/Cc1ccccc1 100271847 OEFRFEJBTZCUGH-PKNBQFBNSA-N 237.353 2.245 0 40 BEAB NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccccc1 102885005 BKESXHFXVXCRRP-RVMXOQNASA-N 213.280 2.078 0 40 BEAB Clc1cccc(CN2CC[C@H]3O[C@@H]3C2)c1 103719328 GJWCZAAYXFCFHP-VXGBXAGGSA-N 223.703 2.313 0 40 BEAB Cc1cc(Nc2cc(F)ccc2F)nc(N)n1 107279678 FRBBPBAEAUACGF-UHFFFAOYSA-N 236.225 2.389 0 40 BEAB Cc1nc2c(C)cc(Br)cn2n1 107815678 ORMHPSPKPTUVNW-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB Cc1ccc(N(C)[C@H](C)C(=O)O)cc1C 148078742 XHISHYIZCCONSD-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB NN[C@@H](c1ccc(O)cc1)c1ccc(F)cc1 199534275 RLRNJRYNSPGEJR-CYBMUJFWSA-N 232.258 2.084 0 40 BEAB Nc1c(Cl)ncnc1-c1ccccc1 202316874 XSPIRLBCIUTVKG-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB CCc1ncnc(N2C[C@@H]3CCC[C@H]3C2)c1F 271131929 VPSZGVKRKFNXOY-UWVGGRQHSA-N 235.306 2.414 0 40 BEAB CCCCN(C[C@H]1CNC(=O)O1)c1ccccc1 408729018 AFSHIBXVCPBURW-CYBMUJFWSA-N 248.326 2.402 0 40 BEAB C[C@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C[C@@H](C)S1 531135500 UYWPEYIDKMHZRM-YYNVLWEHSA-N 239.384 2.385 0 40 BEAB CCc1[nH]c2cc(O)ccc2c(=O)c1CC 685938759 WJZKQCZCIAWMML-UHFFFAOYSA-N 217.268 2.359 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@](F)(CN)CC1 953076919 IUTGHIYWGZQESN-OTCDBFHCSA-N 246.326 2.121 0 40 BEAB Nc1cccc2c1N[C@@H](c1ccccn1)CO2 1857793654 VXWVJRFSXOYHAO-LLVKDONJSA-N 227.267 2.209 0 40 BEAB CCCC(=O)Nc1cccc2nsnc12 373627 LBWRZYTZHBERGJ-UHFFFAOYSA-N 221.285 2.430 0 40 BEAB Cc1nc2ncnn2c(Nc2ccccc2)c1C 1326168 KDBVDOSDSKJUSN-UHFFFAOYSA-N 239.282 2.485 0 40 BEAB CCOc1ccc(/C=C/C2=NNC(=O)CC2)cc1 1382973 GOELFBPBOGNXBV-ZZXKWVIFSA-N 244.294 2.365 0 40 BEAB NCc1ccc(Cc2ccc(CN)cc2)cc1 1574115 KADVAOCTTCZXBM-UHFFFAOYSA-N 226.323 2.195 0 40 BEAB CCCCOCC(=O)NC1CCCCC1 1693349 QSANILXNFGLBND-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB Oc1ccc(Cn2cc[nH]c2=S)cc1 2568051 WVWZHFJGVDNBDA-UHFFFAOYSA-N 206.270 2.300 0 40 BEAB in-vitro O=C1[C@H]2CC[C@H](C2)[C@H]1CN1CCCCC1 4578562 OEAONVDZGJMUKW-GRYCIOLGSA-N 207.317 2.088 0 40 BEAB CNC(=O)COc1ccccc1-c1ccccc1 5392423 JRGZQLPTCCLOMU-UHFFFAOYSA-N 241.290 2.478 0 40 BEAB CC(C)N1C(=O)C(=O)c2cc(Cl)ccc21 6883916 VJDOXIIBOHFSTG-UHFFFAOYSA-N 223.659 2.278 0 40 BEAB CC[C@@H](C)Cn1cnc2c(=S)[nH]c(N)nc21 6933871 AHVGGWOIZWQZPC-ZCFIWIBFSA-N 237.332 2.117 0 40 BEAB CCN(CC)C(=O)c1cccc(N)c1C 8703638 TYRHMTISOYTQRE-UHFFFAOYSA-N 206.289 2.059 0 40 BEAB Sc1nnc(C2CC2)n1Cc1ccccc1 12484272 KERPBPQHHRPCMV-UHFFFAOYSA-N 231.324 2.493 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)Cc1cccc(OC)c1 13008572 NTHDDZUJEPQVCE-SNVBAGLBSA-N 221.300 2.152 0 40 BEAB COc1cc2c(c(O)c1Cl)C(=O)O[C@@H](C)C2 13459830 FODMMACJFYQIHT-YFKPBYRVSA-N 242.658 2.156 0 40 BEAB biogenic,in-vitro CCCCOc1ccc(OCCO)cc1 19075591 NBMUFTYJXGTMEP-UHFFFAOYSA-N 210.273 2.237 0 40 BEAB Cc1ccc(NC(=O)C(C)(C)N)cc1Cl 19672578 SMABJPRFLDEAPX-UHFFFAOYSA-N 226.707 2.324 0 40 BEAB CCc1c(-c2ccc(F)cc2)n[nH]c1N 19688913 OIGHDFCRGGCWOD-UHFFFAOYSA-N 205.236 2.360 0 40 BEAB O=C(O)CCCNCc1cccc(Cl)c1 21952218 OHMPAZGQCXHOCI-UHFFFAOYSA-N 227.691 2.294 0 40 BEAB in-vitro C[C@H](CNCc1ccccc1)N1CCCC1 22073568 XFAFMLBPIGURDY-CYBMUJFWSA-N 218.344 2.261 0 40 BEAB Cc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1C 27579371 RSUAPWZYVXHBOE-LLVKDONJSA-N 244.298 2.095 0 40 BEAB CCCCN1CCCC[C@@H]1C(=O)OCC 33609411 OAAXEKNPTNLHID-LLVKDONJSA-N 213.321 2.204 0 40 BEAB C[C@@H](c1ccccc1)N1CCC[C@H](O)C1 34889336 WSJYBUKJXSWDRV-AAEUAGOBSA-N 205.301 2.204 0 40 BEAB CCC(=O)Nc1ccc(Cl)c(C(=O)OC)c1 36110544 VETYRNIJWHDOIM-UHFFFAOYSA-N 241.674 2.475 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1ccccc1OC(F)F 37381179 VEQHUVWIKWWTFY-JGVFFNPUSA-N 228.194 2.476 0 40 BEAB in-vitro COc1cc(Cl)c(Cl)c(C(=O)O)c1O 40544954 MJEMDDRIYYACKD-UHFFFAOYSA-N 237.038 2.406 0 40 BEAB CN(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 40558955 VSIRVBZUTZORMG-UHFFFAOYSA-N 242.662 2.132 0 40 BEAB in-vitro O=C(NCc1cccnc1)NCc1cccs1 48727678 YQKZRLRXDYOVPI-UHFFFAOYSA-N 247.323 2.143 0 40 BEAB COc1nc(Cl)c(C=O)n1-c1ccccc1 58177661 GFZPCIVYBQCNID-UHFFFAOYSA-N 236.658 2.347 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1 58393759 WHYVVYQRRWBCCY-ZWNOBZJWSA-N 230.311 2.229 0 40 BEAB Clc1ncn(CCc2ccccc2)n1 61714987 SHVZMGLZMNHXMW-UHFFFAOYSA-N 207.664 2.174 0 40 BEAB Cc1ccccc1OCCN(C)Cc1ncc[nH]1 69774639 FMVYJQGJGOYOHO-UHFFFAOYSA-N 245.326 2.229 0 40 BEAB CCOC(=O)c1cc(N)c(N(C)C)c(Cl)c1 70462201 IUFBTTMBXUGFII-UHFFFAOYSA-N 242.706 2.165 0 40 BEAB Cc1cccc(NC(=O)c2csnc2C)n1 72243091 BVBDTIZWAXUXFF-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C[C@@H](CN1CCNC[C@H]1C)c1ccccc1 83349522 PFCGFSCWLYDURJ-QWHCGFSZSA-N 218.344 2.084 0 40 BEAB O=C1C[C@@H](COCc2ccccc2)[C@@H]1F 88241605 GDIUNGXHYQVOQB-JQWIXIFHSA-N 208.232 2.130 0 40 BEAB Nc1cc2cn[nH]c2cc1C(F)(F)F 89197135 MHRNJCQQTAOQEH-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB C[C@H](NCC1(CO)CC1)c1ccccc1N(C)C 93946450 UZQWLYNAWCOUQN-LBPRGKRZSA-N 248.370 2.176 0 40 BEAB Brc1cccc([C@@H]2COCCN2)c1 95692848 PVXORKMUACYCGX-JTQLQIEISA-N 242.116 2.110 0 40 BEAB CCCCOc1ccc(CN2CC[C@@H](N)C2)cc1 96523472 SWRQGQGIWAEEFM-CQSZACIVSA-N 248.370 2.399 0 40 BEAB CCOC(=O)[C@@H]1CS[C@@H](c2cccs2)N1 98072872 FPFZNKCTUSSDIU-CBAPKCEASA-N 243.353 2.015 0 40 BEAB Cc1cc(Cc2cccc(F)c2C)c(=O)[nH]n1 199775040 HOTXKGMQQQHUHY-UHFFFAOYSA-N 232.258 2.117 0 40 BEAB c1cc([C@@H]2CCN(Cc3ccsc3)C2)[nH]n1 205688194 MPLYQCLZURYFKK-LLVKDONJSA-N 233.340 2.461 0 40 BEAB COc1cc(F)c(N)cc1Br 211472655 BWIFUSNDXLDUBC-UHFFFAOYSA-N 220.041 2.179 0 40 BEAB COc1ccc(CCN[C@H]2CCCC[C@H]2N)cc1 218856642 PHQGZTBHYWLDBZ-CABCVRRESA-N 248.370 2.097 0 40 BEAB C[C@@H]1CCc2c(nn(C(C)(C)C)c2O)N1 242687737 UTPGGFAMYGFAOL-SSDOTTSWSA-N 209.293 2.090 0 40 BEAB CN(C)C(=S)Nc1ccc2conc2c1 409205300 PGYIJKIIGAHHFV-UHFFFAOYSA-N 221.285 2.086 0 40 BEAB CCCCN1CCC[C@@]2(CCC(=O)N2C)CC1 585100527 MGTUTLXKMSWQLP-CQSZACIVSA-N 238.375 2.263 0 40 BEAB COC(=O)CCc1c[nH]c2c(F)cccc12 1857793175 BFOZORQAKLZKHJ-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB C[C@H]1CCC[C@@]2(C1)NC(=S)N(C(C)(C)C)N2 139820 IARFFTLYQWSPOS-JOYOIKCWSA-N 241.404 2.386 0 40 BEAB CC(=O)c1ccc(C(=O)NCc2ccoc2)s1 45835444 WPTNUBQDSSKWMX-UHFFFAOYSA-N 249.291 2.474 0 40 BEAB CNCc1cc(F)cc(Br)c1 37034374 WPERSHBPVGODCA-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB O=C(Nc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2 102583419 ICUGUWHKSGQUFZ-DCAQKATOSA-N 216.284 2.456 0 40 BEAB CCNC(=O)[C@@H](CC)Oc1ccccc1F 8495823 YDYIFZFJFYLHNH-SNVBAGLBSA-N 225.263 2.119 0 40 BEAB CCC(=O)NCCN1c2ccccc2CC[C@H]1C 32934724 NWSXCZYVQHMJHU-GFCCVEGCSA-N 246.354 2.354 0 40 BEAB Cc1ccc(-c2nc(CN)co2)cc1C 57491120 MZJBCUVRNVLMDA-UHFFFAOYSA-N 202.257 2.417 0 40 BEAB CN(C)[C@H](CN)c1cccc(C(F)(F)F)c1 21948261 WSFINPCMQGMMKB-SNVBAGLBSA-N 232.249 2.267 0 40 BEAB CCOC(=O)c1ccncc1C(F)(F)F 47202982 PVMGRLWHLHKHPZ-UHFFFAOYSA-N 219.162 2.277 0 40 BEAB CCc1noc(N)c1Cc1ccccc1 26512403 AIFWRROKHHCXPP-UHFFFAOYSA-N 202.257 2.410 0 40 BEAB Clc1cccc(COC[C@H]2CCNC2)c1 42771919 VCZOMDACJTXWEK-NSHDSACASA-N 225.719 2.466 0 40 BEAB Cc1cccc(NC(=O)c2cc[n+]([O-])cc2)c1C 3176580 LRPKUYIGHIAXRC-UHFFFAOYSA-N 242.278 2.189 0 40 BEAB NCCOCc1ccc(C(F)(F)F)cc1 51864681 UMGPVAVFRGPCQK-UHFFFAOYSA-N 219.206 2.181 0 40 BEAB Cc1nc(N)sc1-c1nccn1C(F)F 12505416 OPVVOYDFOPBLLE-UHFFFAOYSA-N 230.243 2.292 0 40 BEAB Nc1ncc2cc(-c3ccncc3)ccc2n1 67172083 XDULIFZWNIEGCE-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB CCCC(=O)N[C@@H]1CCOc2ccccc21 44868681 GFTOVGNTWPLNOF-LLVKDONJSA-N 219.284 2.427 0 40 BEAB Cc1cc(NC(=O)c2ccc(C)s2)n(C)n1 27934201 HNVLIDGPHYUQHQ-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB CC[C@@H](C(=O)OC)c1ccc(OC)cc1 36420721 BNODHOQXKOUMHA-LLVKDONJSA-N 208.257 2.362 0 40 BEAB COCc1noc(N)c1-c1ccccc1OC 26512585 IKPXCIVGNSSFSX-UHFFFAOYSA-N 234.255 2.079 0 40 BEAB Cc1nc(SCC(=O)NC(C)(C)C)oc1C 8334368 NMAJRQCUOSIZEY-UHFFFAOYSA-N 242.344 2.298 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(-n2cccn2)cc1 12853801 HVQWPFLCLMMRFW-NSHDSACASA-N 243.310 2.401 0 40 BEAB Cc1cc(NC(=O)NCc2ccc(O)cc2)no1 12905534 NROQDLZZXWSSMO-UHFFFAOYSA-N 247.254 2.010 0 40 BEAB Cc1sc(NC(=O)C2CC2)c(C(=O)O)c1C 4206019 YRMDKSOQCWUACR-UHFFFAOYSA-N 239.296 2.412 0 40 BEAB CC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 5900587 UWDFEVOJJPJGLF-GFCCVEGCSA-N 233.267 2.007 0 40 BEAB O=C(Nc1cc[nH]n1)[C@@H]1C[C@H]1c1ccccc1 68440519 FYKXVAXNLRZOPO-WDEREUQCSA-N 227.267 2.152 0 40 BEAB Cc1ccc(O)c(CN(C)Cc2nccs2)n1 93582208 CXAAPDQGLKGAMN-UHFFFAOYSA-N 249.339 2.184 0 40 BEAB CC(C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 71908047 YKLZPNIUYQIPBG-QWHCGFSZSA-N 239.359 2.450 0 40 BEAB Cc1cccc2ncnc(N3CCO[C@H](C)C3)c12 72307795 ZEGRFYBXQGLVCU-LLVKDONJSA-N 243.310 2.163 0 40 BEAB CCN(C(N)=O)[C@H](C)c1cccc(OC)c1 78934820 YDJSVUNWHICADT-SECBINFHSA-N 222.288 2.157 0 40 BEAB C[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 36383202 OERBUQKWFDTHOF-WCBMZHEXSA-N 233.233 2.260 0 40 BEAB CC[C@@H](C)OCc1c(Br)cnn1C 408715785 DPGYNGHCSTTXNM-SSDOTTSWSA-N 247.136 2.498 0 40 BEAB COC(=O)CCCOCc1ccccc1 37286802 HYPAAZHXIYWJBO-UHFFFAOYSA-N 208.257 2.156 0 40 BEAB O[C@H]1CCCC[C@H]1n1cc(Cl)cn1 38053933 HUSKQOMRXWIBPN-BDAKNGLRSA-N 200.669 2.013 0 40 BEAB CSCc1ccc(C(=O)N(C)C)cc1 33026234 QBWQWMVKSRZUBJ-UHFFFAOYSA-N 209.314 2.251 0 40 BEAB CC(C)(C)OC(=O)N(C[C@@H]1CCCN1)C1CC1 79437684 NHOZVDBUVVIVHY-JTQLQIEISA-N 240.347 2.138 0 40 BEAB CCN(c1ccccc1C)[C@H](C)C(=O)O 84148585 HLCOIMGGSPQULX-SNVBAGLBSA-N 207.273 2.294 0 40 BEAB Cc1cccc([C@@H](CO)N2CCCC2)c1 41213739 DRBFZOZCKPPCRT-CYBMUJFWSA-N 205.301 2.124 0 40 BEAB O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCOC1 49354968 WTXBVUUFXURRIV-ZETCQYMHSA-N 243.665 2.454 0 40 BEAB CCOc1cc(F)c([Si](C)(C)C)c(F)n1 196296923 JXQXDIGXPITELP-UHFFFAOYSA-N 231.318 2.304 0 40 BEAB CC1=NC(c2ccccc2)=N/C1=C(/C)NO 97054184 QPCVZDZVSYZGIR-LUAWRHEFSA-N 215.256 2.118 0 40 BEAB Cc1n[nH]c(C)c1[C@H]1COCCN1CC(C)C 95980477 ULSZNMOSUKSDAC-GFCCVEGCSA-N 237.347 2.056 0 40 BEAB CC(C)Cn1cc([C@@H](O)CN)c2ccccc21 95098372 NHUCWZGNJGYWSZ-AWEZNQCLSA-N 232.327 2.289 0 40 BEAB CCn1cc(CNCCCOC(C)C)c(C)n1 256050545 FKLWGHYVSCYGBR-UHFFFAOYSA-N 239.363 2.116 0 40 BEAB c1ccc(CO[C@H]2C[C@@H]3CNC[C@@H]3C2)cc1 585262963 RVILLINQTHCWRH-WDNDVIMCSA-N 217.312 2.201 0 40 BEAB Cc1ccc(CC(=O)NC(C)C)cc1C 13683558 NTUMKQPLNNDQON-UHFFFAOYSA-N 205.301 2.371 0 40 BEAB CC[C@H](C)[C@H](N)CN(CC)Cc1ccncc1 42516906 RXTNZCKMPYFWTC-GXTWGEPZSA-N 235.375 2.277 0 40 BEAB Oc1cnnc(SC/C=C/c2ccccc2)n1 4248951 ZZCIMHIBANWMKZ-QPJJXVBHSA-N 245.307 2.383 0 40 BEAB O=C(NCCSc1ccccc1)NC1CC1 32843717 ZCWDNEVDBZGSLN-UHFFFAOYSA-N 236.340 2.240 0 40 BEAB CC(C)=CC(=O)N(C)Cc1ccc(C(=O)O)cc1 37918680 MQUAQPLBYCWYGD-UHFFFAOYSA-N 247.294 2.309 0 40 BEAB CN(C)c1ccc(CNC(=O)CC(C)(C)C)cn1 40510871 DVRHRJLVDAOACQ-UHFFFAOYSA-N 249.358 2.200 0 40 BEAB O=C(N[C@H]1CCc2ccccc21)c1ccncc1 13011717 OTRVNEMPYRCSGN-AWEZNQCLSA-N 238.290 2.499 0 40 BEAB CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38832126 JSGNIBHKHVBIFT-CQSZACIVSA-N 246.354 2.035 0 40 BEAB CCCN(CCC)C(=O)c1cc(C)on1 40459457 BZJFAPZMBKFXCA-UHFFFAOYSA-N 210.277 2.245 0 40 BEAB CC(C)=CCN1CCN(Cc2ccccn2)CC1 40479510 AAIBPOOILKHOQI-UHFFFAOYSA-N 245.370 2.165 0 40 BEAB CCCN[C@@H](C)C(=O)Nc1ccccc1 20300310 DENITXZENVSYCJ-JTQLQIEISA-N 206.289 2.013 0 40 BEAB in-vitro CCOC(=O)C=C1CCC(C(=O)OCC)CC1 163658 LLSDJLRZFSIZFR-UHFFFAOYSA-N 240.299 2.229 0 40 BEAB CCN(CC)[P@@]1(=O)OC(C)(C)C[C@@]1(C)O 231787 REQUQJQPNHWTGW-BONVTDFDSA-N 235.264 2.429 0 40 BEAB CC(=O)N1N=C2CCCC[C@H]2[C@H]1C(C)C 238677 PUAQGLLTOYVTSQ-ZYHUDNBSSA-N 208.305 2.419 0 40 BEAB COc1cc(NCc2cnn(C)c2)cc(OC)c1 2536145 WJIMLJQVMJJRKZ-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB CC(C)[C@H]1CC[C@H](C)[C@@H](COC=O)C1=O 3845734 DPTQSWAQNRRPEA-HBNTYKKESA-N 212.289 2.047 0 40 BEAB COC(=O)[C@@H]1CC[C@](C)(C(C)=O)C1(C)C 3845937 WOEAGAZKQHACRT-JOYOIKCWSA-N 212.289 2.191 0 40 BEAB biogenic CC(=O)[C@@]1(C)NN=C(Cc2ccccc2)S1 5292244 HQJFCJAUMCNSPW-LBPRGKRZSA-N 234.324 2.184 0 40 BEAB O=C(NC1CCCC1)c1n[nH]c2ccccc12 5827766 FNZMVFKUZBGPEN-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB N[C@@H](c1cccnc1)c1ccc(F)c(F)c1 8699690 ODJVXCGZOSNFSS-GFCCVEGCSA-N 220.222 2.408 0 40 BEAB in-vitro CONC(=O)c1ccc(Cl)cc1Cl 12800110 CBKQTQUCSOAHMD-UHFFFAOYSA-N 220.055 2.285 0 40 BEAB CC[C@H](C)OC(=O)c1ccc(OC)c(N)c1 20155865 VUWJXVNHSHBXTR-QMMMGPOBSA-N 223.272 2.233 0 40 BEAB NCc1cccc(NC(=O)C2CCCC2)c1 21967363 IJANKGMHOUKLIW-UHFFFAOYSA-N 218.300 2.274 0 40 BEAB in-vitro c1ccc(CNCCN2CCCCC2)cc1 22073570 SFKMQLIZJKXFIX-UHFFFAOYSA-N 218.344 2.262 0 40 BEAB C[C@@H](Sc1nnnn1C)c1ccccc1 32859662 HRDOTWBEEAWMFD-MRVPVSSYSA-N 220.301 2.063 0 40 BEAB COc1cc(C(=O)O)cc(OC)c1OC(F)F 35663130 KOBKEANPKHAIPC-UHFFFAOYSA-N 248.181 2.003 0 40 BEAB CC[C@@H](C)NC(=O)N1C[C@@H](C)C[C@H](C)C1 35828040 FKAUWSRENDMFMI-GARJFASQSA-N 212.337 2.472 0 40 BEAB Fc1ccccc1CO[C@H]1CCCNC1 36034215 ZKHPALXDIDQTKU-NSHDSACASA-N 209.264 2.094 0 40 BEAB in-vitro C=CC(=O)N[C@@H](C)c1ccc(OCC)cc1 37014264 ZLSBUPCTQAPQKD-JTQLQIEISA-N 219.284 2.449 0 40 BEAB Cc1ccc(CNCc2ccc(C)n2C)n1C 38342249 AWNZTXZFTNCGOX-UHFFFAOYSA-N 231.343 2.270 0 40 BEAB in-vitro Cc1cc(CNCc2ccccc2)n[nH]1 41050798 WWMTVRMOFXBXAT-UHFFFAOYSA-N 201.273 2.008 0 40 BEAB O=C(Nc1nncs1)NC1CCCCCC1 43130963 NFHXIKCIIWWCHZ-UHFFFAOYSA-N 240.332 2.382 0 40 BEAB N=C(N)COc1ccc(Cl)cc1Cl 55364097 IZZWGLGCUWZQHS-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB C[C@@H]1CC[C@@H](C)N1c1ncnc2[nH]ccc12 66251009 OBTMEDIKWQTUGY-RKDXNWHRSA-N 216.288 2.335 0 40 BEAB N=C1CCn2c1ccc2C(=O)c1ccccc1 67665152 WSOQYLMWXICZSL-UHFFFAOYSA-N 224.263 2.491 0 40 BEAB in-vitro Cc1cc(COc2nc(C(C)(C)C)no2)on1 71886202 DFKHIDNSXCBLBV-UHFFFAOYSA-N 237.259 2.243 0 40 BEAB CCn1c(C(=O)O)cc2ccc(OC)cc21 71976867 GDKKNIZKDNPAQQ-UHFFFAOYSA-N 219.240 2.368 0 40 BEAB Cc1ccccc1CNC[C@H]1CCCNC1 72203916 AKHDTXKWYLGRGE-ZDUSSCGKSA-N 218.344 2.084 0 40 BEAB Cc1cncc([C@@H]2CCCCN2C=O)c1 72211372 XKBATCRBJZIYNN-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB O=C(NCc1coc2ccccc12)[C@@H]1CCCO1 74666920 FYKWLKVEJJQTHM-ZDUSSCGKSA-N 245.278 2.228 0 40 BEAB O=C(Cc1c[nH]c2ncccc12)N1CCCCC1 75337097 VDWJCDCRAXGNQL-UHFFFAOYSA-N 243.310 2.118 0 40 BEAB CC(C)C[C@H](N)c1nc2cccnc2n1C 82583468 AWFXCSLZJSLHNV-VIFPVBQESA-N 218.304 2.014 0 40 BEAB COc1ccc(Br)nc1C 90400324 HUBRRMYRFLDKED-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB in-vitro c1cc(O[C@@H]2CCN(Cc3cc[nH]c3)C2)ccn1 93866072 PKCAZPCLPAOSJY-CQSZACIVSA-N 243.310 2.063 0 40 BEAB CCc1nc([C@@H](C)NC[C@H](O)CC)cs1 97112238 OBCKJMMLJYYWEI-RKDXNWHRSA-N 228.361 2.127 0 40 BEAB O=C1CCN(C(=O)C2CCC2)c2ccccc2N1 98010571 RPARFGBIZVXURW-UHFFFAOYSA-N 244.294 2.162 0 40 BEAB O/N=C(\Cl)c1ccc(Br)cn1 115740830 IDDNIGSLIWGZNV-POHAHGRESA-N 235.468 2.219 0 40 BEAB in-vitro Cc1cc(NC2CC2)cc(=O)n1C1CC1 145875221 NZDZOULMIRRNFH-UHFFFAOYSA-N 204.273 2.066 0 40 BEAB CCNc1ncc(Br)cc1F 146643686 RZLWULPVGCJDKZ-UHFFFAOYSA-N 219.057 2.415 0 40 BEAB CC(C)Cn1cc(CNCc2ccco2)cn1 181754255 IVNKUZYWQCWWJH-UHFFFAOYSA-N 233.315 2.422 0 40 BEAB COc1ccc(OC)c([Si](C)(C)C)c1 195938446 FIYZLOOFEZWQIK-UHFFFAOYSA-N 210.349 2.249 0 40 BEAB CC(C)C[C@H](N)C(=O)N1CCC(C(C)C)CC1 226373871 DTXDTJFJUHIYPK-ZDUSSCGKSA-N 240.391 2.254 0 40 BEAB O[C@H](c1cccc(Cl)n1)C(F)(F)F 257197488 AWRGAJVHXZSXNK-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB Cc1cc(F)ccc1N[C@@H](C)c1cn(C)nn1 715860660 QFGWSOOYHNDXTA-VIFPVBQESA-N 234.278 2.436 0 40 BEAB CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1 325109 SBMBBHZGRABPOQ-UHFFFAOYSA-N 245.234 2.457 0 40 BEAB CC(=O)N[C@H]1c2ccccc2-c2ncccc21 1387096 UMYMSTJQBUWJAN-AWEZNQCLSA-N 224.263 2.288 0 40 BEAB CNC(=O)c1csc(-c2ccccc2)n1 1401174 HXNRBYFXPRNIER-UHFFFAOYSA-N 218.281 2.170 0 40 BEAB CCC[C@@H]1O[P@](N)(=O)OC[C@H]1CC 1591859 SQVIKHLRXOQWRH-BFHDXFOESA-N 207.210 2.295 0 40 BEAB CCCNC(=O)c1ccc2ncsc2c1 3344712 JFWSECLPGJUKKS-UHFFFAOYSA-N 220.297 2.436 0 40 BEAB CC(=O)OC[C@@H]1CCC[C@H](C)[C@H]1COC(C)=O 4353034 NZYGHSMLNBLDBT-TVYUQYBPSA-N 242.315 2.165 0 40 BEAB CO[C@@H]1C=C[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 4727105 CULHEDOHPOHBOT-RFGFWPKPSA-N 248.278 2.028 0 40 BEAB O=C(O[C@@H]1CCCC1=O)c1ccc(F)cc1F 7778358 LPWKJQGEAFOAGY-LLVKDONJSA-N 240.205 2.243 0 40 BEAB CC(C)c1nnc(NC(=O)C2CCC2)s1 8117164 PKSHMHDVMATBJW-UHFFFAOYSA-N 225.317 2.400 0 40 BEAB c1ccc2c(c1)NN1Nc3cccnc3N21 8651698 KLVLQQPIDNJCIA-UHFFFAOYSA-N 211.228 2.118 0 40 BEAB CN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 11612460 ICPLFAXXZDVXCN-UHFFFAOYSA-N 230.050 2.153 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC 12971305 CDEZZXYETAIBRE-WCBMZHEXSA-N 235.283 2.298 0 40 BEAB CCOC(=O)CC(=O)Cc1c(F)cccc1F 15443408 LUTFKQFZOOYKTH-UHFFFAOYSA-N 242.221 2.030 0 40 BEAB c1ccc(CCNCc2ccncc2)cc1 19797564 ZDYQMRLEDAVDMT-UHFFFAOYSA-N 212.296 2.414 0 40 BEAB in-vitro Clc1ccc(NCc2ccncc2)nn1 21510412 LFTORCMYWYDDIF-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB CC(C)CNc1nn2cnnc2c2ccccc12 27795173 YEIVECVMPCVKLA-UHFFFAOYSA-N 241.298 2.345 0 40 BEAB Fc1ccc(COC[C@@H]2CCCN2)cc1 28521842 PBOWRMRZFMBMJH-LBPRGKRZSA-N 209.264 2.094 0 40 BEAB CCOc1cccc([C@@H]2C[C@@H]2C(=O)O)c1 32010609 IZKXGKMFQATOME-QWRGUYRKSA-N 206.241 2.273 0 40 BEAB CCN(CC(=O)O)Cc1ccc(Cl)cc1 32015464 USPWKCAXCBMWBR-UHFFFAOYSA-N 227.691 2.247 0 40 BEAB in-vitro CCCNC(=O)[C@H]1Cc2ccccc2S1 32878776 XFCYHXVNWKPPIV-LLVKDONJSA-N 221.325 2.230 0 40 BEAB CC[C@H]1CCCCN1C(=O)CSC 33019208 YNPCEPMSDHUOHW-VIFPVBQESA-N 201.335 2.141 0 40 BEAB CCOc1ccc2ccccc2c1C(N)=O 33433372 YYMKVSDVKRAHED-UHFFFAOYSA-N 215.252 2.337 0 40 BEAB C=CC(=O)N[C@@H](C)c1ccc(F)cc1F 37003407 WEZGVIRSOOAGLF-ZETCQYMHSA-N 211.211 2.328 0 40 BEAB O=C(CCCOc1ccccc1)NCC1CC1 40493552 FXBOAFXFNMTAFY-UHFFFAOYSA-N 233.311 2.372 0 40 BEAB O=C(CSc1cccs1)NCC1CC1 40512060 BVDPJZPTLVYNLC-UHFFFAOYSA-N 227.354 2.366 0 40 BEAB C=CC(=O)N[C@@H](C)c1sc(C)nc1C 40518939 BQXNYBHZOZTEFJ-ZETCQYMHSA-N 210.302 2.123 0 40 BEAB CC(C)c1noc(CN(C)Cc2ccco2)n1 42334530 XUBSDHITPCYKJG-UHFFFAOYSA-N 235.287 2.418 0 40 BEAB COC(=O)[C@@H](C)NCC[C@@H](C)c1ccccc1 43534389 QBKJMUSSIKUHBP-VXGBXAGGSA-N 235.327 2.331 0 40 BEAB CCN(CC)C(=O)C(=O)Nc1cccc(C)c1C 48724707 ZIZUKFZCZXUJRI-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c2[nH]ncc12 49479917 CUPMVDIXTJVYKA-DTWKUNHWSA-N 229.283 2.466 0 40 BEAB O=C(O)c1coc(-c2cc(F)cc(F)c2)n1 51075355 SGMSSBZJZPKJLW-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB c1ccc(OCCNCc2cncs2)cc1 54788376 LOFJFWFFATUBIH-UHFFFAOYSA-N 234.324 2.312 0 40 BEAB Cc1c(NC(=O)[C@@H]2C[C@H]2C)cccc1C(=O)O 57351900 TYGGYUZQLBNKGD-GMSGAONNSA-N 233.267 2.288 0 40 BEAB COc1ccc(NCc2cc[nH]n2)c(C)c1 61566352 DAKIYPUUJJBTFY-UHFFFAOYSA-N 217.272 2.339 0 40 BEAB CC(C)(C)SCCNC(=O)C1CC1 66739041 VNGDPJVOSDABTG-UHFFFAOYSA-N 201.335 2.044 0 40 BEAB C[C@H](c1ncc(C(C)(C)C)o1)n1cc(N)cn1 72207451 JWHUQIMNXKJVSC-MRVPVSSYSA-N 234.303 2.360 0 40 BEAB O=CN1CCC[C@H]1c1cccnc1NC1CCC1 72213885 LRTULODMBKDUSZ-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB O=C(O)C/C(=C/c1ccc(Cl)cc1)C(=O)O 72220958 SPUMFSIPRHDJQR-YVMONPNESA-N 240.642 2.283 0 40 BEAB c1ccc2c(c1)CCN2C[C@H]1CCCO1 72801293 DQNUUGYWAXZLNE-GFCCVEGCSA-N 203.285 2.228 0 40 BEAB COC(=O)c1cccc(OCc2cccnc2)c1 74071900 DGJJGPSEPJBPGI-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB COc1cc(OC)c([C@H]2CCCN2)c(OC)c1 82548854 FCHYQFHCBWCEPO-SNVBAGLBSA-N 237.299 2.137 0 40 BEAB Cn1nc(C(C)(C)C)c(Cl)c1C(=O)O 84483490 PWNMMQXAXFGQSW-UHFFFAOYSA-N 216.668 2.069 0 40 BEAB N=C(N)c1cc(F)ccc1C(F)(F)F 89065264 HKWZJGQSNHPWSD-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB CCS[C@H]1CCCC[C@@H]1NC(C)=O 95408785 IHDTUDKWHBNSMF-UWVGGRQHSA-N 201.335 2.187 0 40 BEAB CNC(=O)C[C@@H](C)Nc1ccc(C)cc1C 95951434 BAHGLGHNEYJAMJ-LLVKDONJSA-N 220.316 2.240 0 40 BEAB Cc1nccc(C(=O)N(C)[C@@H](C)CC(C)C)n1 95953124 BGTOAWIMOTYRRK-JTQLQIEISA-N 235.331 2.292 0 40 BEAB Clc1cnc(SC2CCOCC2)nc1 95975088 ODPNRXFHSTUULJ-UHFFFAOYSA-N 230.720 2.401 0 40 BEAB CC[C@@H](Cc1ccccc1)N(C)CCCO 96424580 HVNXBBMZPJTXGM-AWEZNQCLSA-N 221.344 2.322 0 40 BEAB CN(Cc1cc(C(N)=O)cs1)c1ccccc1 97057320 VRNLMRPVOOSTEE-UHFFFAOYSA-N 246.335 2.483 0 40 BEAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)N)c1 157437328 GQYGDSBYCKWBAW-JSGCOSHPSA-N 246.354 2.314 0 40 BEAB CCOc1ccc(C(=O)N(C)C)cc1C 224053087 AHJACXHHDOZKKR-UHFFFAOYSA-N 207.273 2.096 0 40 BEAB CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H](C)CC1 225513754 ISIJZVGGOLRLTD-QJPTWQEYSA-N 242.363 2.025 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc2c(c1)c(O)nn2C 227164872 INJLRXDVIMLDKL-MRVPVSSYSA-N 247.298 2.264 0 40 BEAB OC1(Cc2ccc(F)c(Cl)c2)CCNCC1 231060212 FMYTYLXTODWBMF-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB Cc1ccnc(SC[C@@H]2CCCO2)n1 269149811 RPGNDHVIBCNTKS-VIFPVBQESA-N 210.302 2.056 0 40 BEAB CC(C)(C)OC(=O)N[C@@]1(C)CCCC(=O)C1 306337056 TUVHCADSKJLFIX-LBPRGKRZSA-N 227.304 2.413 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@H](N)C2 307290075 ZVJHYQSIDJVEIE-GWCFXTLKSA-N 240.347 2.267 0 40 BEAB Cc1ccc(C)n1N1C(=O)c2ccccc2C1=O 160758 RVUWZDRJNKQOIG-UHFFFAOYSA-N 240.262 2.037 0 40 BEAB COc1ccccc1NC(=S)NC1CC1 2191057 UYWOZWIPBJOGMZ-UHFFFAOYSA-N 222.313 2.144 0 40 BEAB C/C=C\C(=O)N1C(=O)OC[C@@H]1c1ccccc1 8665841 DCVIMWRFFDRWJM-WPPTZLTKSA-N 231.251 2.283 0 40 BEAB CC[C@@H](C)c1noc([C@H]2CCCNC2)n1 57340782 LIRWVCGSRVEEHM-BDAKNGLRSA-N 209.293 2.050 0 40 BEAB O=c1[nH]c2cc(Br)cc(F)c2o1 52066128 FOJMRBYYEDHXSO-UHFFFAOYSA-N 232.008 2.023 0 40 BEAB C[C@](CN)(c1ccccc1)N1CCCCC1 59842764 WJTVYSCXELPPQR-AWEZNQCLSA-N 218.344 2.346 0 40 BEAB O=C(NCCCc1ccccc1)C1CC1 2761278 QMXJWCYAYZWVIW-UHFFFAOYSA-N 203.285 2.145 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 23039763 DRXKPGOFEWGNPE-ONGXEEELSA-N 247.294 2.442 0 40 BEAB Cn1nc2c(c1O)[C@H](c1ccc(Cl)cc1)CN2 110757741 XLIUOOIOHWEDDY-VIFPVBQESA-N 249.701 2.337 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1cccnc1 24332679 UHLYJDKZGDKANU-SNVBAGLBSA-N 202.257 2.376 0 40 BEAB Cc1cc(O)n(Cc2ccco2)c(=S)n1 100404575 PJDDPADONNYACZ-UHFFFAOYSA-N 222.269 2.268 0 40 BEAB CCOC(=O)CCc1c(F)cc(OC)cc1F 116988259 UMHYFUOANRRWLE-UHFFFAOYSA-N 244.237 2.469 0 40 BEAB C[C@H](CCN[C@@H]1CCCC1(C)C)[S@@](C)=O 108328576 FLFGCNZVTGTPPD-HFAKWTLXSA-N 231.405 2.312 0 40 BEAB COc1cccc(SCC(=O)NC2CC2)c1 27661024 MZLOPCBUTYHAAX-UHFFFAOYSA-N 237.324 2.066 0 40 BEAB O=c1[nH]c(-c2cccc(O)c2)nc2ccccc12 48603426 XMXQFRPDUIBGED-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB CCOc1ccc(NC(=O)[C@H]2CCOC2)cc1 49353845 PTQQFBDQUWYONV-JTQLQIEISA-N 235.283 2.060 0 40 BEAB Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1 6069566 ODNMTIVRLHXQTE-UHFFFAOYSA-N 220.224 2.129 0 40 BEAB biogenic,in-vitro COc1ccc2c(c1)CN(c1ncccn1)CC2 65434297 GAJKDTFRKPUPJM-UHFFFAOYSA-N 241.294 2.048 0 40 BEAB c1ccc(OC2C[C@@H]3CC[C@H](C2)N3)cc1 66251659 HQWOOKZKFBMBCD-QYJAPNMZSA-N 203.285 2.348 0 40 BEAB CCn1nccc1CNCc1ccccc1OC 20349291 RMEYWPVLAHQXMP-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB O=C(Nc1nc2c(s1)CCC2)c1ccncc1 15636379 KXMGFPSIMJWDHU-UHFFFAOYSA-N 245.307 2.279 0 40 BEAB Brc1cccc(-c2ncno2)c1 68592242 NYBYWEHHRSDQPJ-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB in-vitro O=C1N[C@H](c2ccc(Br)cc2)CO1 71783034 ZMFGCUVSMQUNBH-QMMMGPOBSA-N 242.072 2.230 0 40 BEAB Cc1cc(NC(N)=O)ccc1OCC(F)(F)F 72292081 RCIOWMYKXKCWNP-UHFFFAOYSA-N 248.204 2.427 0 40 BEAB Cc1nccc(NC(=O)c2cc[nH]n2)c1Cl 97080065 RAAOAYKPETVJRU-UHFFFAOYSA-N 236.662 2.019 0 40 BEAB COC(=O)[C@H](NCc1occc1C)C(C)(C)C 97162283 MXRKSJSMPOHDGN-NSHDSACASA-N 239.315 2.265 0 40 BEAB O=C(/C=C/C1CC1)Nc1cc(F)ccc1O 95976264 PUQOXAFEWVTMJK-ZZXKWVIFSA-N 221.231 2.436 0 40 BEAB C[C@H](O)c1ccc(NC(=O)c2ccncc2)cc1 35646044 NAENVABPRSOQSB-JTQLQIEISA-N 242.278 2.387 0 40 BEAB Cc1ccc(C2(O)CCN(C)CC2)cc1F 79030428 BSKZWOVALPAOFE-UHFFFAOYSA-N 223.291 2.047 0 40 BEAB O=C(NCc1ccncc1)c1ccc(Cl)o1 82308828 YOYDCDWPCSSSRU-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB N[C@H](c1ccccc1)c1n[nH]c(-c2ccco2)n1 95533379 PNJPLGRBNURGHO-LLVKDONJSA-N 240.266 2.113 0 40 BEAB Cc1nc(N2CCCO2)c2c(C)csc2n1 97096854 SOFWLRAYKWYUET-UHFFFAOYSA-N 235.312 2.450 0 40 BEAB COC(=O)c1cc(Cl)nc(CC(C)C)n1 96524160 IFQBWFQANZADCN-UHFFFAOYSA-N 228.679 2.115 0 40 BEAB CC[C@H](OC)n1ncc2ccc(N)cc21 95628557 NCAVQMRGGFPRDM-NSHDSACASA-N 205.261 2.174 0 40 BEAB Brc1ccccc1COC[C@H]1CO1 95096156 LKVBHMDASGYBJU-VIFPVBQESA-N 243.100 2.365 0 40 BEAB COc1ccc(CNC(=O)C(C)(C)C)c(C=O)c1 261829909 YVQJMMYBECZNHN-UHFFFAOYSA-N 249.310 2.170 0 40 BEAB CC(=O)Nc1cc(C)cc(Br)n1 35653807 LYQRPJZATVZTQF-UHFFFAOYSA-N 229.077 2.111 0 40 BEAB CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCO1 5384240 VDSZZOQODSDCAO-LBPRGKRZSA-N 227.348 2.306 0 40 BEAB CCO[C@]1(C)O[C@@H]2CC[C@@H](CC)O[C@@H]2O1 13425048 DAZPUNPPZZPTGQ-GWOFURMSSA-N 216.277 2.027 0 40 BEAB COc1ccc([C@H](N)C(F)(F)F)cc1OC 19429508 JJNFDHBWILGMKH-VIFPVBQESA-N 235.205 2.266 0 40 BEAB in-vitro CC(C)COC(=O)[C@@H](C)Oc1cccc(N)c1 31897073 LMZRUHAOWSBEFW-SNVBAGLBSA-N 237.299 2.235 0 40 BEAB CCCOC(=O)[C@H](C)NC(=O)C1CCCCC1 33943942 KTFMVDMFVPROET-JTQLQIEISA-N 241.331 2.025 0 40 BEAB O=C(c1ccccn1)N1CC[C@@H]2CCCC[C@H]21 89878934 XGWAGNPPXBGYFK-WCQYABFASA-N 230.311 2.486 0 40 BEAB Oc1ccnc2c(-c3ccccc3)cnn12 100952585 BKWUGUDGIFXDOX-UHFFFAOYSA-N 211.224 2.102 0 40 BEAB CC(C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 1456901 DDEQUIASKFRODF-NEPJUHHUSA-N 203.285 2.315 0 40 BEAB O[C@@](c1ccccc1)(C1CCNCC1)C1CC1 1866188 XLLQNRJIPLGCJP-OAHLLOKOSA-N 231.339 2.284 0 40 BEAB Nc1cc(-c2nnc3n2CCCCC3)ccc1F 11803996 RRXQJLGCKJJLNO-UHFFFAOYSA-N 246.289 2.393 0 40 BEAB Cc1ccccc1NC(=O)C(=O)NCCC(C)C 3072907 JCYXRNPUFQNFOW-UHFFFAOYSA-N 248.326 2.096 0 40 BEAB Cc1ccc(CNc2ncnc3[nH]cnc23)cc1 385656 KOGDZGJILJKQJY-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB NC(=O)c1cncc(-c2ccc(F)c(F)c2)c1 32603525 NCOZZFIXPIWKDQ-UHFFFAOYSA-N 234.205 2.126 0 40 BEAB Cc1ccsc1C(=O)Nc1ncccc1O 21901753 UHRWCTRBSZSOIK-UHFFFAOYSA-N 234.280 2.409 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 9910964 OUUSUWDBJLTITN-LLVKDONJSA-N 248.326 2.157 0 40 BEAB Cc1ccc(C(=O)NCc2ccc(C)n2C)o1 25318869 FIZAYWMXFIPEOF-UHFFFAOYSA-N 232.283 2.165 0 40 BEAB CCC(=O)Cc1ccc(OC)c(OC)c1 1718850 PGBQLBXSVSRQPF-UHFFFAOYSA-N 208.257 2.225 0 40 BEAB in-vitro CC1(C)C[C@@]23[C@H]4COC(=O)[C@@H]2CC[C@@H]1[C@H]3CC4=O 3644734 BBIDMUQZCCGABN-DWJWARBKSA-N 248.322 2.191 0 40 BEAB biogenic C[C@@H](CC(=O)Nc1ncccc1O)C1CC1 49086669 UWWMHGPSKGLMRK-QMMMGPOBSA-N 220.272 2.162 0 40 BEAB CCCCNC[C@@H]1COc2ccccc2O1 4212239 ODRQYAHPAJZPQP-LLVKDONJSA-N 221.300 2.216 0 40 BEAB in-man Cc1cc(NC(=S)NCc2ccccc2)n[nH]1 5267165 ZTRDYMLQSIJPBS-UHFFFAOYSA-N 246.339 2.205 0 40 BEAB C[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 5264200 KZPBEDTXPQBHPX-SNVBAGLBSA-N 243.310 2.435 0 40 BEAB COC(=O)[C@]12CCC[C@H]1CN(Cc1ccco1)C2 97084945 BKOGVIJRUSKVKY-FZMZJTMJSA-N 249.310 2.055 0 40 BEAB COC[C@@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 79115523 FPTWLSMDSHDHRM-GHMZBOCLSA-N 248.326 2.355 0 40 BEAB CN(C)[C@@H]1CCC[C@@H](NC2CCSCC2)C1 89314029 NUTHTPKRXBMKEF-CHWSQXEVSA-N 242.432 2.344 0 40 BEAB O=C1CC2(CNC2)Oc2c1ccc1ccccc21 66346336 XDMPLURITVHGNT-UHFFFAOYSA-N 239.274 2.147 0 40 BEAB Cc1cc(C)n([C@@H](CC(=O)O)C(F)(F)F)n1 62757516 AOHWTAFIWVYNQU-ZETCQYMHSA-N 236.193 2.078 0 40 BEAB CCc1nnc(CSc2nc(C)co2)o1 188467984 NMPSEXVSCCRCMR-UHFFFAOYSA-N 225.273 2.221 0 40 BEAB Cc1cccc(-n2ncc(C(=O)O)c2F)c1 218309139 ADCZOLHCHNFMEB-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB Cc1nc2ccccc2nc1OC[C@@H]1CCCN1 52099687 UNGAHOUVEPPFCN-NSHDSACASA-N 243.310 2.069 0 40 BEAB COC(=O)c1c[nH]cc1-c1ccc(O)cc1 72207376 JRTBRUMHQAZKEM-UHFFFAOYSA-N 217.224 2.174 0 40 BEAB CN[C@H](CN1CCCCC1)c1ccccc1 34317070 WDWBJLRLEYGMMU-CQSZACIVSA-N 218.344 2.433 0 40 BEAB COCc1nc(Cl)cc(C(F)F)n1 217689463 QGFLNYAMWBVECM-UHFFFAOYSA-N 208.595 2.214 0 40 BEAB Cc1cc(C=O)cnc1N1CCCCC1 72221130 LXWSLRZXZNKWGI-UHFFFAOYSA-N 204.273 2.193 0 40 BEAB Cc1c(N)ccc2nn(-c3ccc(F)cc3)nc12 73740108 FIKAKOCZHSHPKP-UHFFFAOYSA-N 242.257 2.450 0 40 BEAB O=C(O)CCCCCCC1=C[C@H](O)CC1 79042047 PUSJEQRDMRSUMT-LLVKDONJSA-N 212.289 2.493 0 40 BEAB COc1ccc(C[C@@H](C)C(=O)O)cc1F 40377470 AAABJKSOVYDFKA-SSDOTTSWSA-N 212.220 2.098 0 40 BEAB Cc1ccc(N)c(N[C@H](C(=O)O)C(C)C)c1 223772225 JSVJEAIXJCMTST-NSHDSACASA-N 222.288 2.098 0 40 BEAB CC(C)(C)OC(=O)NCc1ccccc1CN 47844195 GUYQLFMVQPGMOE-UHFFFAOYSA-N 236.315 2.170 0 40 BEAB O=C(CCc1ccccn1)NCc1ccccc1 49471705 QYTRRLICGKOKDU-UHFFFAOYSA-N 240.306 2.331 0 40 BEAB CC1CCC(N[C@@H]2CCC[C@H]2CO)CC1 89922665 ZLDSKRPHSHTWKG-PYNQCMFNSA-N 211.349 2.316 0 40 BEAB COc1cccc(/C=C/CCn2cncn2)c1 195572889 JOGREXVXTZROJN-GORDUTHDSA-N 229.283 2.390 0 40 BEAB COc1ccccc1-n1cnc(C)c1C 225793312 SSDGWHBCLXIYIY-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB C[C@H]1CCCCN1c1cc(C(=O)N(C)C)ccn1 96402664 LHBZKSHANXIDCP-NSHDSACASA-N 247.342 2.162 0 40 BEAB COc1cc(Br)cc(F)c1C(=O)O 98179669 HURPNPSJCSOLOZ-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1cccnc1Cl 242750728 ZXXKJEMOKZMKSL-BDAKNGLRSA-N 226.707 2.175 0 40 BEAB Cc1nccn1-c1ncnc2ccccc12 41495753 OBHXHBRNAREXDK-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB COCCCCSc1nnc(N(C)C)s1 83855467 VGJTYVVEEXRZKQ-UHFFFAOYSA-N 247.389 2.123 0 40 BEAB O=C(O)c1ccc(C(F)(F)F)c(F)c1O 118633733 HXAGRRUCKHGTOE-UHFFFAOYSA-N 224.109 2.248 0 40 BEAB CC(C)(N)[C@H](O)c1cccc(Br)c1 19684303 LFEUDFRKSCSGPS-SECBINFHSA-N 244.132 2.220 0 40 BEAB CC(C)C(=O)N1CCCc2cc(N)ccc21 19874361 IEOAXJIIKLUJAI-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB CC[C@@H](NN)c1ccc(F)c(F)c1F 161801430 VXSCYGCALBNRHG-SSDOTTSWSA-N 204.195 2.018 0 40 BEAB CC(=O)OC/C=C(\C)CC[C@H]1NC1(C)C 169799764 CQDDPUCJKMDJFL-MXMFLMJRSA-N 211.305 2.026 0 40 BEAB Brc1onc2c1CCCC2 206861312 BZQURNXXJICQSB-UHFFFAOYSA-N 202.051 2.316 0 40 BEAB Fc1ccc(-c2noc(Cn3ccnc3)n2)cc1 29594278 JWZOGURDODQJDB-UHFFFAOYSA-N 244.229 2.121 0 40 BEAB O=C(C1CCC1)N1CCO[C@H](c2ccccc2)C1 38569724 MRAVMIKZFZGYBB-AWEZNQCLSA-N 245.322 2.387 0 40 BEAB Fc1ccc(OCc2ccncc2)nc1 585653790 LAMAXNUASLIDCS-UHFFFAOYSA-N 204.204 2.195 0 40 BEAB C[C@@H](CNC(=S)NC1CC1)c1ccccc1 7621163 SICAEYXBKBWVDK-JTQLQIEISA-N 234.368 2.417 0 40 BEAB CCCCN1CNC(=S)N(c2ccccc2)C1 20189545 YUELQDSFDSZWTB-UHFFFAOYSA-N 249.383 2.398 0 40 BEAB C[C@H](C(=O)O)[C@@]1(O)CCCCc2ccccc21 1594151 VYWMGWNCUHHHEM-YGRLFVJLSA-N 234.295 2.321 0 40 BEAB COc1cccc2c1C(=O)[C@]1(O)CCCC[C@@H]21 1634645 FXJPJLDVHPAZBR-HZMBPMFUSA-N 232.279 2.280 0 40 BEAB CCN(CC)Cc1csc(C(=O)O)c1 2254664 MJKMCENYVHMQCB-UHFFFAOYSA-N 213.302 2.288 0 40 BEAB Cc1cnn([C@H](C)c2nnc(NC3CC3)s2)c1 2787845 ZPKRZNUORPEEDL-MRVPVSSYSA-N 249.343 2.227 0 40 BEAB CC1(C)CCO[C@H]([C@H]2OCCC(C)(C)O2)O1 5052095 RLVOGDZXMVYOOL-UWVGGRQHSA-N 230.304 2.070 0 40 BEAB O=C(O)CCCCNC(=O)Nc1ccccc1 5603963 SEMKKUJABLTSEY-UHFFFAOYSA-N 236.271 2.063 0 40 BEAB CCOP(=O)(OCC)[C@H](O)C(C)C 5859927 MHCIATHWPPJEEC-QMMMGPOBSA-N 210.210 2.227 0 40 BEAB CCNC(=O)[C@H](CC)Oc1ccc(C)cc1 8496991 MEYYDGBYADJNOM-LBPRGKRZSA-N 221.300 2.289 0 40 BEAB O=C1O[C@@H]([C@H](O)c2cccnc2)c2ccccc21 12940945 BRJQGOZCCGYHKL-CHWSQXEVSA-N 241.246 2.027 0 40 BEAB Cc1ccc(C2(C(=O)O)CCOCC2)cc1 13483681 WKBWRKZYENMFQB-UHFFFAOYSA-N 220.268 2.128 0 40 BEAB Cc1cc(F)ccc1O[C@@H]1CCCNC1 14631859 ISAZERLJHRRHKE-LLVKDONJSA-N 209.264 2.265 0 40 BEAB Cc1ccc(NC(=O)c2cnn(C)c2)c(F)c1 15604323 JSDRJTJPYSWHCC-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB COc1cc(CN)ccc1OCc1ccncc1 19259637 MZXDUEFZEJTSNC-UHFFFAOYSA-N 244.294 2.128 0 40 BEAB O=C(O)[C@H]1CCCN(CCCc2ccccc2)C1 19787909 VUZHYEGXXWFWFT-AWEZNQCLSA-N 247.338 2.416 0 40 BEAB COc1ccc(Oc2cc(CN)ccn2)cc1 22222944 IDQPYCXNXNVLBN-UHFFFAOYSA-N 230.267 2.341 0 40 BEAB in-vitro Cc1ccc(OCCN2CCOCC2)c(C)c1 22385610 ASMMROXACKOGJY-UHFFFAOYSA-N 235.327 2.014 0 40 BEAB O=c1c2ccccc2cnn1-c1ccc(O)cc1 24014164 RFEPXQZHESJWQM-UHFFFAOYSA-N 238.246 2.091 0 40 BEAB CC(=O)c1ccc(NCc2nc(C)no2)cc1 24661808 YUYKJXGOQKGSPP-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CCOC(=O)c1[nH]c2ccc(F)cc2c1O 26896706 FWYIDYVUGHYDGJ-UHFFFAOYSA-N 223.203 2.189 0 40 BEAB CC[C@@H](NC)c1ccc(OC)cc1OC 35488775 KOPJWIALZNSWNN-LLVKDONJSA-N 209.289 2.374 0 40 BEAB C=CC(=O)N(C)[C@H]1CCc2ccccc21 36335058 KROJMAHHTQCTPU-LBPRGKRZSA-N 201.269 2.318 0 40 BEAB CCOCCCCNC(=O)OC(C)(C)C 36379594 YDGMXFYCJMCVQX-UHFFFAOYSA-N 217.309 2.328 0 40 BEAB in-vitro Cc1ccc(C(=O)NCC(F)(F)F)s1 36394841 UZHASOZCCKPAMW-UHFFFAOYSA-N 223.219 2.349 0 40 BEAB CCCOc1ccc(/C=C/C(N)=O)cc1OCC 42237055 DGRXANYWWYIMLT-SOFGYWHQSA-N 249.310 2.373 0 40 BEAB C[C@@H](NC(=O)Nc1nccs1)C1CC1 42652205 SZCZYSJIUFBERM-ZCFIWIBFSA-N 211.290 2.063 0 40 BEAB CC(C)c1csc(NC(=O)N(C)C)n1 43600921 MKYPXWOGOOTYSU-UHFFFAOYSA-N 213.306 2.360 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1cc(C2CC2)[nH]n1 44858219 VRWYRMCWKGKJIR-UHFFFAOYSA-N 245.326 2.206 0 40 BEAB CCN(CC)C(=O)c1cc(Cl)cn1C 44890682 JDFGLARKCZRKPT-UHFFFAOYSA-N 214.696 2.161 0 40 BEAB CCOc1ccc2cc(C(=O)N(C)C)[nH]c2c1 48313782 UDOGYMBHOCWHML-UHFFFAOYSA-N 232.283 2.268 0 40 BEAB O[C@@H]1CCCC[C@H]1Nc1ncnc2ccsc12 52007393 AMTKSFGJUZBUDW-PSASIEDQSA-N 249.339 2.407 0 40 BEAB Cc1c(CO)oc2c1[C@@H](O)CC(C)(C)C2 57348720 YSABVPPWBWIUAH-QMMMGPOBSA-N 210.273 2.086 0 40 BEAB CCOc1ccccc1CNCCCN(C)C 57362367 MGBBLBGOYVWKKG-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB Nc1cc(-c2ccc3ncccc3c2)no1 61415477 UJWTZYPPQPZFEV-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB C[C@H](O)c1nc2cccc(Cl)c2n1C 62365874 WEJLYRLFDHXXEH-LURJTMIESA-N 210.664 2.280 0 40 BEAB Cc1ncc(CN(C)C[C@@H]2CCCO2)s1 69416089 WXKRTWAIBBZSIB-JTQLQIEISA-N 226.345 2.062 0 40 BEAB CCCCc1nnc(C(=O)OCC)s1 72206864 ZBTLMBYMNQPSRJ-UHFFFAOYSA-N 214.290 2.057 0 40 BEAB COC(=O)c1ccc(N2CCCCCC2)nc1 72225464 BJBIOHPZZYDCQH-UHFFFAOYSA-N 234.299 2.249 0 40 BEAB CCCC(=O)N1CC(c2cc3cccnc3[nH]2)C1 72361216 LTZYGPVEHOFZGG-UHFFFAOYSA-N 243.310 2.289 0 40 BEAB C[C@](O)(c1cccc(C(=O)O)c1)C(F)(F)F 75846326 DLUPCHSNLHYNOF-VIFPVBQESA-N 234.173 2.155 0 40 BEAB O=C(O)c1nc(N2CCCCC2)sc1Cl 85396892 FFMSRRNNNPCONZ-UHFFFAOYSA-N 246.719 2.485 0 40 BEAB O=C(c1cncc(Br)c1)C1CC1 87265668 ZPWQJUMCZOZNQB-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB Cc1nnc(CCCOC(=O)c2ccccc2)o1 95995853 BPXDVEDIODWUAC-UHFFFAOYSA-N 246.266 2.168 0 40 BEAB C[C@@H]1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O1 96070664 CRTYUETYKWPRSC-KWCYVHTRSA-N 245.322 2.326 0 40 BEAB CC1(NC(=O)Nc2ccncc2F)CCC1 97136084 UHVAREQSOAEPBT-UHFFFAOYSA-N 223.251 2.285 0 40 BEAB OC[C@H](Cc1c[nH]c2ccccc12)NC1CCC1 97236291 ZVFDTXMTWYCMSZ-ZDUSSCGKSA-N 244.338 2.213 0 40 BEAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(C(C)C)C(=O)[C@@H]21 100050639 QZDGIMJUMMQDQD-WFFHOREQSA-N 245.322 2.148 0 40 BEAB NCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 217622117 VXCMJHSSHQVAMK-VHSXEESVSA-N 225.295 2.453 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCCc1cccs1 218857303 GTUUAWHXFFOHNE-NEPJUHHUSA-N 224.373 2.150 0 40 BEAB COC(=O)c1cc2nccnc2cc1Cl 225732105 JTQDMRHRKGIVQV-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB CCn1c(CO)ccc1Cc1ccco1 226031156 TZEBGMFMKZSDNZ-UHFFFAOYSA-N 205.257 2.184 0 40 BEAB Oc1ncc2[nH]ccc2c1Br 238699177 JLUVQQBBLBLSLK-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB CC(C)N1CC[C@H](N)[C@@H](Cc2ccccc2)C1 242687891 UZKWLRCARZKULO-GJZGRUSLSA-N 232.371 2.287 0 40 BEAB CC(C)C[C@]1(O)CCNC[C@@H]1Oc1ccccc1 257242222 IBOPEAXBYROHAC-LSDHHAIUSA-N 249.354 2.205 0 40 BEAB COC(=O)c1cc(C(F)F)ccc1O 259922835 AWRNSKURFZAWHX-UHFFFAOYSA-N 202.156 2.116 0 40 BEAB Clc1ccc2c(c1)[C@@H](NCc1cn[nH]c1)CO2 675552053 DMKSDCHEJCOODN-NSHDSACASA-N 249.701 2.286 0 40 BEAB O=C(O)[C]1CCCN1C(=O)OCc1ccccc1 1560403779 YVUAJBLPKVTLPD-UHFFFAOYSA-N 248.258 2.036 0 40 BEAB CCOC(=O)c1cc(-c2ccc(C)o2)on1 1857794037 ZGIVHVIYUXKYTA-UHFFFAOYSA-N 221.212 2.420 0 40 BEAB COc1c(C)c(=O)oc2ccc(C)cc12 57838 FUBFYCNQPDAEKI-UHFFFAOYSA-N 204.225 2.418 0 40 BEAB biogenic O=C1NC(=O)/C(=C\c2cccc3ccccc23)N1 154577 PRXSTEDJAPTRPG-XYOKQWHBSA-N 238.246 2.020 0 40 BEAB Cn1cc(Cl)nc1[C@H](O)c1ccccc1 246382 ISCFHACKIFRPJD-SNVBAGLBSA-N 222.675 2.155 0 40 BEAB CC(=O)[C@@H](C[n+]1ccccc1)c1ccccc1 1641236 LMKHOPSGBATRQV-OAHLLOKOSA-N 226.299 2.347 0 40 BEAB CCCCNc1nc(SC)nc2[nH]cnc12 1652092 YEZACIOSMXFXIA-UHFFFAOYSA-N 237.332 2.287 0 40 BEAB in-vitro O=C(O)c1ccc2c(c1)[C@@H](O)c1ccccc1-2 1710718 XYGBMUJGVYGUBI-ZDUSSCGKSA-N 226.231 2.447 0 40 BEAB Cc1ccc(F)cc1C(=O)CCC(=O)O 2580140 TYPYYKDDDSORJQ-UHFFFAOYSA-N 210.204 2.182 0 40 BEAB CNC[C@@H]1CCCC[C@]1(O)c1cccc(OC)c1 3643421 VUMQHLSPUAFKKK-ZFWWWQNUSA-N 249.354 2.292 0 40 BEAB biogenic,world CC(C)[C@@H]1CC[C@@H](C)[C@@H](COC=O)C1=O 3845735 DPTQSWAQNRRPEA-OUAUKWLOSA-N 212.289 2.047 0 40 BEAB biogenic O=S(=O)(O)c1ccc(F)c2ccccc12 5000430 CLWXEHOCNHENJU-UHFFFAOYSA-N 226.228 2.226 0 40 BEAB NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498088 SQGOBVXQJXJQIW-UHFFFAOYSA-N 240.262 2.185 0 40 BEAB Cc1cc(Cl)ccc1OCC(=O)NC1CC1 5535470 DKHRPDMXSQMCIJ-UHFFFAOYSA-N 239.702 2.306 0 40 BEAB CC(C)c1ccc(/C=C2/NC(=O)N(C)C2=O)cc1 6346300 ZWLIHAVRHVLFJI-XYOKQWHBSA-N 244.294 2.333 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1 10454577 CECRBQBLPXOMTO-SECBINFHSA-N 235.283 2.002 0 40 BEAB COc1cc(C)ccc1O[C@H]1CCCNC1 12359835 KINQIODVYMPWNZ-NSHDSACASA-N 221.300 2.134 0 40 BEAB COc1ccccc1CNCc1cnn(C)c1C 12395227 NGNRGPKPDOMLBI-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB Cc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C 12512647 GGAHELMZYVZGFN-YPKPFQOOSA-N 246.335 2.386 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)c1ccoc1 12535043 JGTTZZJROPWBBC-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB C/C=C\Cc1ccccc1OCC(=O)O 17316727 JDCFRBIRNNBTQT-IHWYPQMZSA-N 206.241 2.269 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1N 20194876 PUNIZWUJZKVNDM-SNVBAGLBSA-N 232.327 2.449 0 40 BEAB CC[C@@H](C)NC(=O)N1C[C@H](C)C[C@@H](C)C1 20573112 FKAUWSRENDMFMI-GMTAPVOTSA-N 212.337 2.472 0 40 BEAB O=C1c2ccncc2C(=O)N1c1ccccc1F 22073225 RBJHDHZBLWXMRP-UHFFFAOYSA-N 242.209 2.021 0 40 BEAB O=C(NCCc1ccccn1)c1ccsc1 25170067 OEJQSUASICGKBC-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C 25309975 QOYOPFKIRGRNSM-APPZFPTMSA-N 223.247 2.429 0 40 BEAB CNc1snc(C)c1C(=O)NCC1CCC1 31438550 BRRIUNWALRGDFI-UHFFFAOYSA-N 239.344 2.023 0 40 BEAB CON(C)C(=O)c1cc2cc(C)ccc2[nH]1 32779847 SWJISAMRFZCUMW-UHFFFAOYSA-N 218.256 2.110 0 40 BEAB O[C@H](c1ccc2c(c1)OCO2)c1ccco1 34109071 MGUNGYMZVRXYGF-GFCCVEGCSA-N 218.208 2.090 0 40 BEAB COC(=O)c1sc(-c2ccco2)cc1N 34505191 QAXKHFHFABONNE-UHFFFAOYSA-N 223.253 2.377 0 40 BEAB CCN1CC[C@@H](CNCc2ccccc2F)C1 37644140 VJTLIVYGFLVWLF-LBPRGKRZSA-N 236.334 2.257 0 40 BEAB CC(C)(C)c1nc([C@@H]2CCCCN2)no1 40443330 PFQFVDKAGUJFEJ-QMMMGPOBSA-N 209.293 2.182 0 40 BEAB CCNC(=O)c1cc(OC)c(OC)cc1CC 41126176 RRFXXLATCOOXEK-UHFFFAOYSA-N 237.299 2.016 0 40 BEAB CCO[C@H](CN)c1cccc(Br)c1 43022386 AXMLUCLUVDRMIR-SNVBAGLBSA-N 244.132 2.485 0 40 BEAB COC(=O)[C@@H](C)NCC[C@H](C)c1ccccc1 43534387 QBKJMUSSIKUHBP-NWDGAFQWSA-N 235.327 2.331 0 40 BEAB Cc1nc(-c2nn3c(C(C)C)nnc3s2)co1 44901363 LCUNRKHZVQXPDY-UHFFFAOYSA-N 249.299 2.273 0 40 BEAB CNCc1cc(-c2ccc(C)cc2)n[nH]1 50478926 QDWAAWJSDSNSFW-UHFFFAOYSA-N 201.273 2.105 0 40 BEAB CNC[C@@H](OC)c1ccc(Br)cc1 50482335 UPSHRIZBKNNJIY-SNVBAGLBSA-N 244.132 2.356 0 40 BEAB CCNC[C@@H]1CCCN1Cc1ccccc1 53648445 WNUBSXWDQOHEEU-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB CCCNC(=O)NCCCOC1CCCC1 57775047 HZTLJRNVURNAHD-UHFFFAOYSA-N 228.336 2.045 0 40 BEAB Cc1cccc(-c2nc(C3CCNCC3)n[nH]2)c1 64875523 VJEMOFLWHGLWEX-UHFFFAOYSA-N 242.326 2.247 0 40 BEAB Fc1c(Cl)cccc1CN1CCCNCC1 67799694 FKVOOVHBNMNKLI-UHFFFAOYSA-N 242.725 2.274 0 40 BEAB CSCCC(=O)c1ccc2c(c1)OCO2 69984259 DCYHBCISGIKWBK-UHFFFAOYSA-N 224.281 2.351 0 40 BEAB FC(F)(F)c1ccccc1CNC1COC1 71792163 DKWOYLYIZXJBEM-UHFFFAOYSA-N 231.217 2.194 0 40 BEAB in-vitro COC(=O)c1ccc(COc2ccc(C)nc2)o1 72073254 HZMVCNBMLQSFHT-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB CC[C@H](N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208753 KLYQWOXEDGDKEN-MNOVXSKESA-N 242.363 2.371 0 40 BEAB CC(C)N1CCC[C@H]1c1cccnc1N 72212418 PZWDHBGYALOADY-NSHDSACASA-N 205.305 2.209 0 40 BEAB Cc1ncc(-c2nccn2C)c(-c2ccco2)n1 72340755 HJFVLESHCZFPKL-UHFFFAOYSA-N 240.266 2.446 0 40 BEAB Cc1ccc(NC(=O)NC2(CCO)CCC2)cc1 75093682 PJWIJKKPBYFHFP-UHFFFAOYSA-N 248.326 2.422 0 40 BEAB CC(C)C(=O)Nc1n[nH]c2cccc(F)c12 82275810 ZADCTUTZTAEZQT-UHFFFAOYSA-N 221.235 2.297 0 40 BEAB COc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 83896426 UKHXIDNZFPRNPV-ZDUSSCGKSA-N 248.326 2.166 0 40 BEAB O=C1C[C@@H](c2ccc(Br)cc2F)N1 84128103 VIFHHADNTXIQSU-QMMMGPOBSA-N 244.063 2.149 0 40 BEAB O=C(O)c1cc(NCc2cnco2)ccc1F 91408757 VUEHHPKLSKCXMN-UHFFFAOYSA-N 236.202 2.124 0 40 BEAB CC(=O)c1cc(Br)cc(C(C)=O)n1 95766344 RDIYEGXICVUSOI-UHFFFAOYSA-N 242.072 2.249 0 40 BEAB CC(C)(C)CC(=O)NC[C@@]1(C)CCCC[C@@H]1O 96450824 MNWSFYMSUJVIJD-SMDDNHRTSA-N 241.375 2.480 0 40 BEAB COc1cccc([C@H](C)O[C@@H]2CCNC2)c1 96529882 GUMLMPMDKMAAMN-GXFFZTMASA-N 221.300 2.135 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@@]1(O)C[C@@H]2CC[C@@H]1C2 101154100 HWEQFXDONYYPNJ-BPGGGUHBSA-N 246.306 2.406 0 40 BEAB Nc1cccc(N2C(=O)CC[C@H]2C(F)(F)F)c1 117581184 JUFQGOFSCMMUKG-VIFPVBQESA-N 244.216 2.327 0 40 BEAB Nc1cccnc1C(=O)Nc1ccc(F)cc1 132296580 CGBHDNNHIZXVCT-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB Nc1nc(-c2ccc(CC(=O)O)cc2)cs1 220669342 BMVXMASTWNCRCZ-UHFFFAOYSA-N 234.280 2.019 0 40 BEAB CC(C)(C)OC(=O)N1CCC(F)(F)C[C@@H]1C=O 222273469 XONOUUIJDKOXRR-MRVPVSSYSA-N 249.257 2.220 0 40 BEAB COc1cccc(N2CCN[C@@H]3CCC[C@@H]32)c1 225716528 WXARDROQBJKFJM-KGLIPLIRSA-N 232.327 2.026 0 40 BEAB CCCCNC(=O)c1cn(-c2ccccc2)cn1 227115914 HCHACTLTIGUWMX-UHFFFAOYSA-N 243.310 2.402 0 40 BEAB C[C@@H]1CN(c2ncc(C(=O)O)s2)[C@@H](C)[C@H]1C 399551426 BONFVHCNCNLXEH-CSMHCCOUSA-N 240.328 2.322 0 40 BEAB CCSc1nnc(-c2ccccn2)o1 408580523 CDPRDVBHXIJYBO-UHFFFAOYSA-N 207.258 2.244 0 40 BEAB Cc1ncccc1OCc1ccncc1 1888863689 TXBNGJICZVWYGW-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB Nc1onc2cc(Br)cc(F)c12 2362803783 KUWPYGMVLIDRRJ-UHFFFAOYSA-N 231.024 2.312 0 40 BEAB CN1C(=O)C[C@@H]2C[C@@]1(C)Oc1ccccc12 27947 LFJWBPVQUSINGS-NOZJJQNGSA-N 217.268 2.131 0 40 BEAB Cc1cc(C)nc(NC(=O)c2ccccc2F)n1 580168 IZLPSLBHEBSUOE-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB C[C@H]1CNCCN1c1ccc(Cl)cc1 1627133 YOOLKLKIUUTLFC-VIFPVBQESA-N 210.708 2.138 0 40 BEAB Cc1cccc(Cl)c1OCC(=O)O 1732177 WHLKFTSLSDHFMU-UHFFFAOYSA-N 200.621 2.112 0 40 BEAB in-vitro CN(C)c1ccc([C@@H](O)C(F)(F)F)cc1 3162951 SOYRNYDJSIZAFO-SECBINFHSA-N 219.206 2.348 0 40 BEAB in-vitro CCCCc1nc2ccccc2n1CC(=O)O 3886755 KTWJTCCDVNQGKN-UHFFFAOYSA-N 232.283 2.464 0 40 BEAB in-vitro O=C1Oc2ccccc2[C@@]2(O)[C@H]3CCCC[C@@H]3[C@H]12 4114251 RQWNVDAJWFMNDY-ACGQPVHCSA-N 244.290 2.229 0 40 BEAB CC(C)(C)OC(=O)/C=C(\N)c1ccccc1 4663854 XBXBHCHTZDLWGE-LUAWRHEFSA-N 219.284 2.328 0 40 BEAB CCC(C)(C)NS(=O)(=O)c1ccc(F)cc1 4696295 HKYDFJUIBUTKES-UHFFFAOYSA-N 245.319 2.293 0 40 BEAB CCCNC(=S)c1ccc(N(C)C)cc1 4708928 LKMBGMIPQBFXPT-UHFFFAOYSA-N 222.357 2.428 0 40 BEAB COc1ccc(/C=C(\C)C(=O)O)cc1OC 4778110 HWFGFNBLIMJWLY-SOFGYWHQSA-N 222.240 2.192 0 40 BEAB in-vitro C[C@H]1CCCN(CNC(=O)c2ccccc2)C1 4903187 HGDMSNDOBJQNSW-LBPRGKRZSA-N 232.327 2.106 0 40 BEAB Cc1ccc(-c2cc3[nH]c(C)cc(=O)n3n2)cc1 9058684 UQIAHXHKDZMWHA-UHFFFAOYSA-N 239.278 2.306 0 40 BEAB CCOC(=O)COc1cccc(C)c1C 9659992 ZECSUZBYOAVAIH-UHFFFAOYSA-N 208.257 2.245 0 40 BEAB CC1CCN(c2ccnc(S)n2)CC1 16609348 IOATYAMONBOVMR-UHFFFAOYSA-N 209.318 2.002 0 40 BEAB C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@H](C)O1 19398957 AXOVDTKFYUKNAE-UWVGGRQHSA-N 240.734 2.344 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1cccnc1 22885826 DBFOZFNQAVZYAV-UHFFFAOYSA-N 216.284 2.000 0 40 BEAB CCOc1ncccc1NC(=O)c1ccncc1 27587758 LXJBAYWOTQQMSB-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB CCn1nccc1CNC(=O)Nc1ccccc1 28219376 HTWTYDKDLUITPT-UHFFFAOYSA-N 244.298 2.225 0 40 BEAB C[C@H](N(C)C(=O)[C@H]1CCCO1)C(C)(C)C 32788087 UOAHSSYILILMGF-VHSXEESVSA-N 213.321 2.058 0 40 BEAB COC(=O)CCCN(C)Cc1cccs1 35717851 RPSHAFNBVOIOPO-UHFFFAOYSA-N 227.329 2.133 0 40 BEAB CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 40461908 GQJDUQMGANBWHT-CQSZACIVSA-N 246.354 2.209 0 40 BEAB CC1=CC(=O)N([C@H](C)c2ccc(F)cc2)C1=O 42228103 JBTQUJMUNGFURQ-SECBINFHSA-N 233.242 2.202 0 40 BEAB Cc1cccnc1NC(=O)N[C@H](C)[C@@H]1CCCO1 46974229 NWUAMSWXXBPYIS-MNOVXSKESA-N 249.314 2.079 0 40 BEAB Nc1nnc(-c2cc(Br)cs2)o1 48981034 WQEMOACMKHGEIX-UHFFFAOYSA-N 246.089 2.143 0 40 BEAB in-vitro Nc1nonc1-c1cccc(Br)c1 49830007 TVNCBEDFBBBGLP-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB in-vitro C[C@@]1(c2c(F)cccc2F)C[C@H]1C(=O)O 52126513 KEZWLMCNLNEKOA-UPONEAKYSA-N 212.195 2.327 0 40 BEAB in-vitro CC[C@@](C)(N)COc1ncccc1Cl 70880472 KXWMMKQZRYVDAL-SNVBAGLBSA-N 214.696 2.241 0 40 BEAB in-vitro Cc1cc(C)c(Br)c(N)n1 71256956 MPTBBYXTRHFOLN-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB COc1cccc(-c2nocc2C(=O)O)c1 71521117 CDLOEGPTAFUQLW-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB COc1ncc([C@@H](N)c2ccccc2)cc1C 72221949 AZSWCVRZGHFZHZ-ZDUSSCGKSA-N 228.295 2.447 0 40 BEAB c1cnc([C@@H]2CCCN(CC3CC3)C2)cn1 72361338 VUCZYUKZZRXBNP-GFCCVEGCSA-N 217.316 2.066 0 40 BEAB Cc1nc(C)c(C(=O)N2C[C@H]3CC=CC[C@H]3C2)o1 73990547 MCUDEYSDUPZGRN-TXEJJXNPSA-N 246.310 2.330 0 40 BEAB CSC[C@@H](C)NC(=O)OC(C)(C)C 76301748 LRSLSAJGUOCYDQ-SSDOTTSWSA-N 205.323 2.263 0 40 BEAB in-vitro CC(=O)c1cc(C(=O)O)cn1Cc1ccccc1 78404525 MXVGIIOYSVWDNT-UHFFFAOYSA-N 243.262 2.437 0 40 BEAB CC(C)n1ccc(CNCc2ccco2)n1 82784182 MJBXKZKTAOWUKU-UHFFFAOYSA-N 219.288 2.347 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1NCc1ccccc1 84011582 FJMJOYQGUPTRDF-RYUDHWBXSA-N 219.284 2.030 0 40 BEAB Cc1ccccc1C1(C(=O)O)CCC(=O)CC1 84514975 CVDLCBGRWYUNAK-UHFFFAOYSA-N 232.279 2.461 0 40 BEAB O=C(O)c1nn(C2CCC2)c2ccccc12 90693776 OVTXQAXXRCDBCP-UHFFFAOYSA-N 216.240 2.460 0 40 BEAB O=C(O)c1c(F)cc2ncccc2c1F 91691916 LRIKOJADJPATOK-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB Cc1[nH]ccc1C(=O)Nc1ccc(CCO)cc1 95417568 HMHIBLAYBGQWOP-UHFFFAOYSA-N 244.294 2.110 0 40 BEAB COc1cc(F)cc(Br)c1O 144321991 GTIRYDMXHBDLPF-UHFFFAOYSA-N 221.025 2.302 0 40 BEAB CN(C)c1ccc(NC(=O)c2ccco2)cc1N 226263066 BQDBTVFMZXXYKF-UHFFFAOYSA-N 245.282 2.180 0 40 BEAB CC1(C)CC(=O)[C@@H]2C(c3cccs3)=NN[C@H]2C1 228921830 SBTWTTZVJMNJSG-GZMMTYOYSA-N 248.351 2.429 0 40 BEAB c1cnc(Nc2nc([C@@H]3CCCN3)cs2)cn1 257302061 SBFLAKYCOSPCOL-QMMMGPOBSA-N 247.327 2.101 0 40 BEAB Cc1nn2c(C)ccnc2c1Br 575441599 HIUOHLUOIHOAST-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB CCc1ccc2c(c1)[C@@H](CC(=O)OC)CO2 585656385 REUAWPMZKHAZLJ-JTQLQIEISA-N 220.268 2.288 0 40 BEAB COCC(=O)NCCCc1cc2ccccc2o1 888107190 WTJYUMSNDSTZOS-UHFFFAOYSA-N 247.294 2.128 0 40 BEAB CC(C)(C)c1ccc(N2CCSCC2)nn1 1889061970 LGGULGKYZBCLPS-UHFFFAOYSA-N 237.372 2.327 0 40 BEAB CCCCC[C@@H]1CCC(=O)O[C@@H]1OC(C)=O 1714941 XXBSZTCPBJFCGA-PWSUYJOCSA-N 228.288 2.409 0 40 BEAB O=C1c2ccoc2CC[C@H]1C(=O)C(F)(F)F 2396152 HXEAGBQMXLUQEO-ZCFIWIBFSA-N 232.157 2.156 0 40 BEAB COc1ccc(N[C@@H](C)C(=O)O)cc1Cl 3163853 RFZPOOKZHCPYAM-LURJTMIESA-N 229.663 2.234 0 40 BEAB Cc1cc(C)cc(NC(=O)COC(=O)C2CC2)c1 3392879 UTRPLKMYVRJGJD-UHFFFAOYSA-N 247.294 2.195 0 40 BEAB O=C(NCc1ccccc1)Nc1ccccn1 3953377 FLSPVKBFWGJXGH-UHFFFAOYSA-N 227.267 2.403 0 40 BEAB CC1(C)[C@@H]2[C@H]3[C@H](CC[C@]3(C)O)C(=O)CC[C@H]21 4104726 WGGGLYPWFRDVEK-PWRJXJELSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CC(=O)O)C2 4337345 HGHBHQVHVZOHIY-IGJMFERPSA-N 240.299 2.219 0 40 BEAB CSc1n[nH]nc1C(=O)Nc1cccc(C)c1 4475927 DHPHQONTAVMIHU-UHFFFAOYSA-N 248.311 2.087 0 40 BEAB CC(C)N1CCC[C@@H](C(=O)N2CCCCC2)C1 4745328 JEBCCDRTQHAFQC-CYBMUJFWSA-N 238.375 2.119 0 40 BEAB CCCNC(=S)NC[C@@H]1C[C@H]2CC[C@@H]1C2 5793404 NFUAHOFRICDJBM-AXFHLTTASA-N 226.389 2.297 0 40 BEAB O=C(N1CCc2ccccc2C1)C(F)(F)Cl 5948395 SECVHGUVQKWSGE-UHFFFAOYSA-N 245.656 2.403 0 40 BEAB Cc1ccc(NC(=O)Nc2ncccn2)cc1 6923037 MIYRQSLQDWXCQG-UHFFFAOYSA-N 228.255 2.429 0 40 BEAB Cc1cccc(S(=O)(=O)Nc2ccccn2)c1 8697847 ZRZOLMFQFITNLN-UHFFFAOYSA-N 248.307 2.191 0 40 BEAB O=C(O)Cc1csc(Cc2ccccc2)n1 11761035 UJRCHAXRBQIJNK-UHFFFAOYSA-N 233.292 2.361 0 40 BEAB Cc1ccc(-n2nc(C)c(N)c2C)cc1 12505781 FMHDYHBBHMTYBU-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB Cc1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19936949 SYBMBMVSBLRKQT-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB CC(C)(C)NCC(=O)Nc1cccc(F)c1 20056772 CYMKGYZRCFBOOE-UHFFFAOYSA-N 224.279 2.152 0 40 BEAB CCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20136465 NBXGRWMKUIIKPL-UHFFFAOYSA-N 227.647 2.387 0 40 BEAB COC[C@@H](N)c1ccc(C(F)(F)F)cc1 20262412 ROHHPXSZRZTEOZ-SECBINFHSA-N 219.206 2.352 0 40 BEAB Cc1n[nH]c(SCc2ccc(C(=O)O)cc2)n1 20394457 TYGLADRPQILMMD-UHFFFAOYSA-N 249.295 2.104 0 40 BEAB OCCNc1nc2cc3ccccc3cc2[nH]1 26439659 SGNZZCBKPLQBRV-UHFFFAOYSA-N 227.267 2.120 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)NC1CCCC1 31053445 BMIXSCRWBKPPOK-SNVBAGLBSA-N 236.315 2.452 0 40 BEAB COc1ccc(CN[C@@H]2CCCC[C@H]2O)cc1 32099025 ILJUCVXCEPFGIK-ZIAGYGMSSA-N 235.327 2.088 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2C)n1 32906162 IKXNCIWUTPKIFA-GFCCVEGCSA-N 249.358 2.291 0 40 BEAB CSCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 33028582 AMQFZOPFHJQGLB-LPEHRKFASA-N 215.362 2.290 0 40 BEAB CC(C)(COCc1ccccc1)C(=O)O 34068406 LGPTVHABQNQBSK-UHFFFAOYSA-N 208.257 2.314 0 40 BEAB in-vitro c1cnc2c(Cn3ccnc3)cccc2c1 36393557 HJQXHPQNCAZQDT-UHFFFAOYSA-N 209.252 2.480 0 40 BEAB O=C(O)Cn1c(C(F)F)nc2ccccc21 37400570 LCWNQFDYDHISBN-UHFFFAOYSA-N 226.182 2.059 0 40 BEAB O=Cc1cccc(O[C@@H]2CCCCO2)c1 38283712 CUOBWSLIFAJGNN-GFCCVEGCSA-N 206.241 2.405 0 40 BEAB COC(=O)c1cc2nc(C)[nH]c2cc1Cl 38763674 WENJHTPOOZSOBZ-UHFFFAOYSA-N 224.647 2.311 0 40 BEAB O=C(O)CCc1cc(F)c(F)c(F)c1 39712920 SJGZNFBPOANGAR-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB O=C(CCc1ccccc1F)NCC(F)(F)F 47340825 LVZGUEVKGUURME-UHFFFAOYSA-N 249.207 2.437 0 40 BEAB Cc1cc(CN(C)C(=O)c2occc2C)no1 47665347 OUISFWUSJDGVMZ-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB N[C@@H](CC1CCCCC1)c1ncccn1 53820498 QMDNROCGZJLYHP-NSHDSACASA-N 205.305 2.447 0 40 BEAB in-vitro CCOc1c(Cl)cc(Cl)cc1C(N)=O 57331999 FOPCAIOPCLWMDI-UHFFFAOYSA-N 234.082 2.491 0 40 BEAB O=C(O)c1ccc(OCC[C@H]2CCCCN2)cc1 57837399 OVESMCXUNWFSGO-GFCCVEGCSA-N 249.310 2.296 0 40 BEAB OCCCN(Cc1ccc(F)cc1)C1CC1 67444119 BHCYYLSUHHBCKR-UHFFFAOYSA-N 223.291 2.173 0 40 BEAB CCCN1CCC[C@@H]1Cn1nc(C)cc1C 69919343 CYMWIJXMRZGYJY-CYBMUJFWSA-N 221.348 2.374 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cncc(C)c1 72211374 HOWRTJULYPOHOO-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB Cc1cc(N2CCCCC2)ncc1C(=O)O 72221147 QTCNJLTWRAHQET-UHFFFAOYSA-N 220.272 2.079 0 40 BEAB Cc1nc(N2CCCCCC2)ccc1C(=O)O 72224566 DMRPWJZTNOGIQI-UHFFFAOYSA-N 234.299 2.469 0 40 BEAB c1ccc(CN2CCC[C@H]3CNCC[C@@H]32)cc1 78210772 TZOUPQXQHUBGOP-GJZGRUSLSA-N 230.355 2.261 0 40 BEAB in-vitro CC(C)OC(=O)N1CCC(c2cn[nH]c2)CC1 79017003 MCGXWBVLWZEYBJ-UHFFFAOYSA-N 237.303 2.134 0 40 BEAB O=C(N[C@H]1CCSC1)c1ccc(F)cc1 81035343 QCILHUPLPFYMRM-JTQLQIEISA-N 225.288 2.061 0 40 BEAB COC(=O)c1ccc(-c2cscn2)o1 85392241 IQFRAMFYBNCWFJ-UHFFFAOYSA-N 209.226 2.190 0 40 BEAB Cc1cnc(N[C@H]2CCC[C@@]2(C)CO)nc1C 95978539 HAYKHPJOYJHYGP-AAEUAGOBSA-N 235.331 2.056 0 40 BEAB CO[C@H](C)CCOC(=O)c1csc(C)n1 96442875 RCPAFZDTLDHBLS-SSDOTTSWSA-N 229.301 2.033 0 40 BEAB O[C@H](c1cccnc1Cl)C(F)(F)F 96528096 DSUDBVZEAJNLKH-RXMQYKEDSA-N 211.570 2.331 0 40 BEAB CC(C)[C@H]1CN(C)CCN1Cc1ccco1 97059030 UXFNOFBORHSTAT-CYBMUJFWSA-N 222.332 2.052 0 40 BEAB O=C(Nc1ccnc2ccnn12)C1CCCCC1 108720283 PYWQZQWANJZYHX-UHFFFAOYSA-N 244.298 2.248 0 40 BEAB C[C@@H]1CCCN(Cc2cccc(OCCN)c2)C1 218746712 HTLNIOLIFFDYEG-CYBMUJFWSA-N 248.370 2.256 0 40 BEAB CC[C@H](C)n1cccc1CNCCOC 223689786 XPBOOHOIDJNIOD-NSHDSACASA-N 210.321 2.195 0 40 BEAB COc1ccc(CNCc2c(C)cnn2C)cc1 256052095 LXAPOQMZPGJNDT-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nnc1C 302273859 HJUSMQIIFQVQTG-RYUDHWBXSA-N 217.316 2.330 0 40 BEAB Cc1nn(C)c(Cl)c1[C@@H](O)C(C)(C)C 159507 XRIVZVDONZHQSW-MRVPVSSYSA-N 216.712 2.461 0 40 BEAB Cc1cc(=O)cc(C)n1-c1ccc(C(=O)O)cc1 240029 QFWPFBINOFPSJZ-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB COC(=O)c1cccc2c(CCC(C)=O)c[nH]c12 491332 NXLHEBOOJSDPTB-UHFFFAOYSA-N 245.278 2.476 0 40 BEAB biogenic O=C(Nc1ccccc1)[C@@H]1CCCC[C@@H]1CO 1597582 HTYFPCXDHPXDJO-DGCLKSJQSA-N 233.311 2.424 0 40 BEAB COc1ccc(C(=O)NC2CCCC2)c(OC)c1 3093841 CBFPDYRPANXHTK-UHFFFAOYSA-N 249.310 2.376 0 40 BEAB Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 3885155 ZOZBHANUXDXBIN-UHFFFAOYSA-N 242.200 2.493 0 40 BEAB Nc1nnc(Cc2nc3ccccc3s2)s1 4129787 OBZFZVAGLQKDRD-UHFFFAOYSA-N 248.336 2.321 0 40 BEAB O=C(O)[C@]1(CCCc2ccccc2)CCCN1 4241184 ZHHDZLMQFQRYMD-AWEZNQCLSA-N 233.311 2.216 0 40 BEAB CS(=O)(=O)Oc1cccc2ccccc12 4659218 XDMSBAHISPQMNW-UHFFFAOYSA-N 222.265 2.178 0 40 BEAB CC(C)=C1N=C(c2cccs2)OC1=O 5001131 NLDRZAZTBYAUDK-UHFFFAOYSA-N 207.254 2.345 0 40 BEAB COc1ccc2c3c(c(=O)oc2c1O)CCCC3 5547387 BGIMCPRKSFDNJB-UHFFFAOYSA-N 246.262 2.386 0 40 BEAB CCCCn1nc(C)c(C=O)c1Cl 6507275 AFKLPRXGBKYCOY-UHFFFAOYSA-N 200.669 2.458 0 40 BEAB in-vitro CN(C)c1cccc(C(=O)Nc2ccccn2)c1 12536774 VMEVUFVVKJTJKO-UHFFFAOYSA-N 241.294 2.400 0 40 BEAB CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 19477036 SOSVVNGFPXKABB-CQSZACIVSA-N 246.354 2.335 0 40 BEAB CC(C)(C)c1nnc(Br)o1 19511970 UTZDIBCZHYRUKK-UHFFFAOYSA-N 205.055 2.130 0 40 BEAB in-vitro C[C@@H](Sc1ccc(F)cc1)C(=O)O 19687171 DCGVRKXPYLZLIS-ZCFIWIBFSA-N 200.234 2.391 0 40 BEAB NCc1c[nH]c2cc(Br)ccc12 20269180 PNOJIHUEWHBLFW-UHFFFAOYSA-N 225.089 2.389 0 40 BEAB Nc1cccc(-c2nnc(C3CC3)o2)c1 21004543 VEVZKKGPHNERSB-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB O=C(O)c1cnc(F)c(Cl)c1Cl 21991267 QRGANIVSJDGNGS-UHFFFAOYSA-N 209.991 2.226 0 40 BEAB NCc1ccnc(Oc2ccccc2)c1 22174930 PJFOUMAUWJEBRT-UHFFFAOYSA-N 200.241 2.333 0 40 BEAB Cc1ccccc1OCc1ncc(C(=O)O)cn1 26505748 OUGUSLNSYLFTSZ-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB Cc1cnc(C(=O)N2CCCCCCC2)cn1 32666380 FHNSTTLQGWVSHH-UHFFFAOYSA-N 233.315 2.191 0 40 BEAB CN(C)[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1 37358376 BLTUARSBOPVNQH-SECBINFHSA-N 247.216 2.393 0 40 BEAB Cc1cc(Br)ccc1OC1CNC1 38580790 XGPPQIYXDCOJRQ-UHFFFAOYSA-N 242.116 2.108 0 40 BEAB Cc1cc(N2CCNCC2)nc2c(C)cccc12 40175196 GNDUDNOGXBCJPF-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB Cc1ccccc1C[C@H](C(=O)O)N1CCCC1 41260660 YUYVYYKUYPNBIT-CYBMUJFWSA-N 233.311 2.087 0 40 BEAB COC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C 41424145 KVWROTRFKNMNCH-ZYHUDNBSSA-N 235.283 2.215 0 40 BEAB CCOc1ccc(OC[C@H]2CCNC2)cc1 42773062 TVMJHKSXEUKCCT-NSHDSACASA-N 221.300 2.074 0 40 BEAB COc1ccc([C@@H](CN)OC(C)C)cc1F 62711808 KUQMDZBRXMSTDW-GFCCVEGCSA-N 227.279 2.259 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1ccc(Cl)c(Cl)c1 62713447 UBDQFPICMKRFMH-GZMMTYOYSA-N 246.137 2.418 0 40 BEAB Cc1nc(CCNc2ccc(Cl)cc2)n[nH]1 62719049 XLSSWTCCNWGOGS-UHFFFAOYSA-N 236.706 2.421 0 40 BEAB O=S1(=O)C=C2CCCCN2c2ccccc21 67340799 VWCIYWOFPLGUEV-UHFFFAOYSA-N 235.308 2.306 0 40 BEAB C[C@H]1Cc2c(n(C)c3ccccc23)C(=O)O1 68605311 YGADGSHUOZTXSU-QMMMGPOBSA-N 215.252 2.280 0 40 BEAB N=C(N)NCC1CCC(c2ccccc2)CC1 69949136 XJPWHAATKAXMRG-UHFFFAOYSA-N 231.343 2.443 0 40 BEAB OCCCN(CCc1cccc(F)c1)C1CC1 71905296 QVQIVRUGWRIUCK-UHFFFAOYSA-N 237.318 2.215 0 40 BEAB COC(=O)[C@H](C)CSCc1nc(C)c(C)o1 78827434 ORRDOWPMCMCQHE-SSDOTTSWSA-N 243.328 2.334 0 40 BEAB CN1CCN(C(=O)C2CC2)c2cc(F)ccc21 81074390 MUNVOYRSUZGUEY-UHFFFAOYSA-N 234.274 2.019 0 40 BEAB O=c1[nH]cc2ccccc2c1Br 82048581 POFWHUZLFZOBFX-UHFFFAOYSA-N 224.057 2.291 0 40 BEAB in-vitro CN(C)c1ccc(C(F)(F)F)c(N)c1 95917703 ODXFMJJMEYFVPD-UHFFFAOYSA-N 204.195 2.354 0 40 BEAB C[C@H](Cc1cccnc1)OC(=O)C[C@@H]1CCCO1 95987701 AUUKXDZIAHGXJB-YPMHNXCESA-N 249.310 2.125 0 40 BEAB COc1ccc(C[C@H]2CN(C)CC[C@@H]2OC)cc1 96110579 JTUOXRAFRPPPHU-ZFWWWQNUSA-N 249.354 2.204 0 40 BEAB C[C@H]1CCC[C@@H](OCC(=O)Nc2cnccn2)C1 97379900 ZECMPNSYZKPSBB-WDEREUQCSA-N 249.314 2.010 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@H]3[C@H]([C@@H]12)C3(C)C 100393064 OQKJKCCRSOBXLL-NQHOMTGGSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro COc1ccc(N2N=C(C(C)C)CC2=O)cc1 100407056 CUHXNQINFGCXMP-UHFFFAOYSA-N 232.283 2.444 0 40 BEAB Nc1cc(Cl)c(N)c(Br)c1 114024246 RCANFVUNFLBTJG-UHFFFAOYSA-N 221.485 2.267 0 40 BEAB Cc1cc(CN2C[C@@H]3CCC[C@H]3C2)no1 152644867 YWSULRURAAIEMN-QWRGUYRKSA-N 206.289 2.215 0 40 BEAB COc1c(N)cc(F)cc1C(F)(F)F 169801728 SSIGHHWOVLBRKV-UHFFFAOYSA-N 209.142 2.435 0 40 BEAB COC(=O)c1cc2cccnc2c(Cl)n1 225737057 PKAMYXPZZCDISG-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB CCc1cc(N)ccc1N1C[C@@H](C)O[C@H](C)C1 226315824 RYQXNSFJTNQCGL-GHMZBOCLSA-N 234.343 2.445 0 40 BEAB CNc1ccc(-c2n[nH]c(=S)n2C)cc1 228919554 LLPBPKIHQWOMTD-UHFFFAOYSA-N 220.301 2.186 0 40 BEAB C[C@@H](CSc1ccc(Cl)cc1)NN 228927957 XSHYKRFAQKXHPH-ZETCQYMHSA-N 216.737 2.284 0 40 BEAB Cc1ncsc1CN1CCC[C@@H]([C@H](C)O)C1 230307988 GGMHEAGKULWFBM-WDEREUQCSA-N 240.372 2.044 0 40 BEAB CCOC(=O)[C@H](CC)n1ccc(C(F)F)n1 238856698 WWXRTJDFPPNBPX-QMMMGPOBSA-N 232.230 2.335 0 40 BEAB O=C(c1cc[nH]c1)N1C[C@@H]2CC[C@H](C1)C2(F)F 1565545344 ZZZUJBZEFAYLBO-AOOOYVTPSA-N 240.253 2.132 0 40 BEAB C[C@]1(O)CC[C@@H]1N1C[C@@H]2CCCC[C@H]2C1 1775996214 BQXCUCUPRFJTIO-CYDGBPFRSA-N 209.333 2.022 0 40 BEAB O=C(NC1CCN(C2CC2)CC1)[C@H]1CC=CCC1 29091221 SHPXJFHWYFMWKM-LBPRGKRZSA-N 248.370 2.086 0 40 BEAB CCOC(=O)C(=CCC(C)C)C(=O)OCC 1656178 WSMCGEUISONHKL-UHFFFAOYSA-N 228.288 2.085 0 40 BEAB COc1ccc2nc(NN=O)sc2c1 6484939 TVGKVIVDNUEBFL-UHFFFAOYSA-N 209.230 2.398 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1F 32983367 OCRYRBJMHLRCEV-CABZTGNLSA-N 237.274 2.182 0 40 BEAB COCc1cccc(CNC(=O)C=C(C)C)c1 47026261 ZQAFFSCTGLWTGK-UHFFFAOYSA-N 233.311 2.415 0 40 BEAB C[C@H]1CNCCN1[C@H](C)c1ccccc1 107052092 OPHHITNORRLRPQ-NWDGAFQWSA-N 204.317 2.041 0 40 BEAB COc1ccc2c(c1)C1(CCOCC1)CN2 107253375 OKXHSIRYPVGYIE-UHFFFAOYSA-N 219.284 2.169 0 40 BEAB CNC(=O)c1csc(-c2ccc(C)cc2)n1 4090437 YCPAGPICVBZPSO-UHFFFAOYSA-N 232.308 2.478 0 40 BEAB CCCC(=O)OCc1cc2ccccc2[nH]c1=O 5164382 VBYSMOLPDIGHED-UHFFFAOYSA-N 245.278 2.371 0 40 BEAB CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1 4611332 JJJNJXHDTMQBEK-NSHDSACASA-N 248.326 2.157 0 40 BEAB Nc1nc2c(F)cc(F)c(F)c2s1 15442800 MDXPZGBVQCYUTM-UHFFFAOYSA-N 204.176 2.296 0 40 BEAB NC1([C@@H](O)c2ccccc2)CCCCC1 71509388 DRDMLNARBPKOEO-LBPRGKRZSA-N 205.301 2.382 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C)Cc2ccccc21 89920449 VSPNQOVMEANQFU-AAEUAGOBSA-N 244.338 2.121 0 40 BEAB O=C(C(C1CC1)C1CC1)N1CCc2cnccc21 97084696 QEANQHHSNAQRNB-UHFFFAOYSA-N 242.322 2.407 0 40 BEAB CCC(CC)(CC)CNC(=O)[C@H](C)OC 89942996 KJZJHRUSMDGUCP-JTQLQIEISA-N 215.337 2.354 0 40 BEAB CCO/C(=C\c1ccccc1)c1n[nH]c(=N)s1 408718111 KELYOYJHHJEFMW-NTMALXAHSA-N 247.323 2.485 0 40 BEAB CCOCCC(=O)N1c2ccccc2OC[C@H]1C 72532192 BMBKMIPPLJFUPR-LLVKDONJSA-N 249.310 2.227 0 40 BEAB O=C(O)c1ccc(Cl)c(Cl)c1C(=O)O 33637579 YUDBKSANIWMLCU-UHFFFAOYSA-N 235.022 2.390 0 40 BEAB CCC(=O)N(C)[C@H](COC)Cc1ccccc1 189490872 MAJXOLPRACPPDN-ZDUSSCGKSA-N 235.327 2.113 0 40 BEAB c1cc(NC2CC2)ncc1[C@H]1CCCCN1 72213791 GKPRFMCAHAATNL-GFCCVEGCSA-N 217.316 2.471 0 40 BEAB CC(C)CC(=O)Nc1ccc2c(c1)c(O)nn2C 227164836 QRRKHYPNDQOPEQ-UHFFFAOYSA-N 247.298 2.264 0 40 BEAB Fc1cccc(-c2ncnc(Cl)n2)c1 43220542 REIFUUDEOYACDL-UHFFFAOYSA-N 209.611 2.331 0 40 BEAB NCc1cnn([C@H]2C[C@H]2c2ccc(F)cc2)c1 514264588 KOZJAARUXDZAIJ-STQMWFEESA-N 231.274 2.210 0 40 BEAB CC(=O)N1CCC(Oc2ccc(C)cc2)CC1 49706430 IUEKDCKTWUHJHR-UHFFFAOYSA-N 233.311 2.385 0 40 BEAB CCCCNc1ccc2nccnc2n1 82285427 VEMWNLFDCYGCPC-UHFFFAOYSA-N 202.261 2.237 0 40 BEAB CCn1cc(C(=O)OCc2ccsc2)cn1 96442682 ICBMATVUTWXJCC-UHFFFAOYSA-N 236.296 2.322 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(-c2ccccc2F)n1 95534758 CKLVWBXYFGVGAD-JTQLQIEISA-N 234.278 2.267 0 40 BEAB NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 94088492 ALHBJBCQLJZYON-CVSAEHQPSA-N 230.355 2.402 0 40 BEAB O=C(NCCn1cccc1)[C@@H]1C[C@H]1c1ccco1 96449882 XQOQKFLYYGFBKS-VXGBXAGGSA-N 244.294 2.001 0 40 BEAB Cc1ccc([C@@H](C)O[C@@H]2CCNC2)c(C)n1 252488753 IXXRNOQIHCRCST-VXGBXAGGSA-N 220.316 2.138 0 40 BEAB O=C(O)c1coc(-c2ccccc2F)n1 51075306 KPYIFMJBKVWSPF-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C2(F)F 74942451 RYCLZPJKWUKFKM-NKWVEPMBSA-N 219.231 2.261 0 40 BEAB CC(=O)N[C@@H](COCC(C)C)c1ccco1 58354784 ZXRUKUWQKKPQBU-NSHDSACASA-N 225.288 2.129 0 40 BEAB CCOC(=O)C(C(=O)OCC)=C1CCCCC1 1714008 MDNMCAOGOPOUTP-UHFFFAOYSA-N 240.299 2.373 0 40 BEAB COc1cc(C)nc(C2=N[C@H](C(C)C)CO2)c1 1857788117 DNTNQRRKJYXLMV-LBPRGKRZSA-N 234.299 2.200 0 40 BEAB COC(=O)c1coc(Cc2ccccc2)n1 147647407 LBFPAZDJJSLKCP-UHFFFAOYSA-N 217.224 2.052 0 40 BEAB CC[C@H]1CN(C(=O)OCc2ccccc2)CCN1 15022051 QTRLCDJCCBXKQC-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H](CO)C2(CCC2)C1 140642750 UTVLESWQVLBCDG-SNVBAGLBSA-N 241.331 2.016 0 40 BEAB CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)O)CC1 168431247 SVTFYLMWINQYFM-KYZUINATSA-N 228.288 2.219 0 40 BEAB O=C1c2ccccc2C(=O)N1C1C=CC=CC=C1 1723724 FFRBLLZZLAGORU-UHFFFAOYSA-N 237.258 2.333 0 40 BEAB CNC(=S)N1CCC[C@@H]2CCCC[C@@H]21 16189317 LHMJIHHBJYOSAL-UWVGGRQHSA-N 212.362 2.145 0 40 BEAB CC[C@H](C(=O)N1C[C@@H](O)C[C@H]1C)c1ccccc1 385168418 VFNBFPIPWRDAIK-XBFCOCLRSA-N 247.338 2.162 0 40 BEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(F)cc1 1433930 OJKPJRQHFGDFJW-VXGBXAGGSA-N 245.253 2.281 0 40 BEAB Cc1ccnc(OC[C@H]2CCCOC2)c1 585654242 FWKPCAOMCHFTBB-NSHDSACASA-N 207.273 2.195 0 40 BEAB O=Cc1cnc(Cl)c(Br)c1 40447854 JUMZDNQKFRBLAB-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB in-vitro COCC(=O)Oc1ccc(Cl)c(C)c1 149510 QMFMPDHMVPSZPV-UHFFFAOYSA-N 214.648 2.200 0 40 BEAB CCS(=O)(=O)Nc1nc2ccccc2s1 1006294 VMYXMTQZJSDMAY-UHFFFAOYSA-N 242.325 2.058 0 40 BEAB CC[C@@H](C)N1C(=O)c2ccccc2C1=O 1687122 ZTXOTHWCDVUQRM-MRVPVSSYSA-N 203.241 2.081 0 40 BEAB Cc1cc(C(N)=O)cc(C(F)(F)F)c1 2382162 MODXUPCJDALZQM-UHFFFAOYSA-N 203.163 2.113 0 40 BEAB CC[C@]1(c2ccccc2)SC(=O)NC1=O 5004402 QOJYOMSCSGVRHT-LLVKDONJSA-N 221.281 2.275 0 40 BEAB COc1ccc(C(=O)Cn2nc(C)cc2C)cc1 5960783 KVZDGLYVGSVRGC-UHFFFAOYSA-N 244.294 2.391 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1 6436263 DJHZNCXSQOFNIK-GHMZBOCLSA-N 218.300 2.390 0 40 BEAB Nc1ccccc1-c1nc2cnccc2[nH]1 8628087 JWOSGZULICUPLU-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB C/C(=C\Cl)CN1C(=O)c2ccccc2C1=O 12417049 JVTHFJPVAXPOPV-SOFGYWHQSA-N 235.670 2.425 0 40 BEAB Cc1cccc(C(=O)NCC2CC2)c1C 12976611 PGTJTQKUVRMHAF-UHFFFAOYSA-N 203.285 2.443 0 40 BEAB CCOCCOc1ccc(Cl)cc1N 14629323 OMEAIUGYVNPPMS-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB in-vitro CC(C)C(=O)Nc1ccc2nsnc2c1 17083474 SBXWRENPTMUDGG-UHFFFAOYSA-N 221.285 2.286 0 40 BEAB Fc1ccc2[nH]c3c(c2c1)CNCCC3 20217111 ZFHSVILTWVPKJW-UHFFFAOYSA-N 204.248 2.343 0 40 BEAB CC(=O)Cc1nc(-c2ccc(C)cc2)no1 20281991 YCDTXXZEXVUCDM-UHFFFAOYSA-N 216.240 2.177 0 40 BEAB in-vitro CC1(C)C=Cc2cc(OCC(=O)O)ccc2O1 21522882 ISRJCKKMRKDBFN-UHFFFAOYSA-N 234.251 2.334 0 40 BEAB Cc1ccc(C)c(C(=O)Nc2ccn(C)n2)c1 24473618 QOQSUOQGEJYFTP-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB COc1ccc([C@@H](O)C(F)(F)F)c(OC)c1 24863396 MQQBSAKZXFAZMU-SECBINFHSA-N 236.189 2.300 0 40 BEAB C[C@H](NC(=O)CCc1ccco1)c1ccccn1 28784187 BVRUQNUVDIUUJZ-NSHDSACASA-N 244.294 2.485 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cnn(C)c1 32537880 KZHNUUCEZWRKEN-HOVLTTNMSA-N 247.342 2.128 0 40 BEAB Cc1ccc(CCN(N)c2ccccc2)cn1 34132166 NSMWSECOYVMQFR-UHFFFAOYSA-N 227.311 2.313 0 40 BEAB Sc1cc2c(cc1Cl)OCCO2 34974305 HUMGUWVYUWXXNF-UHFFFAOYSA-N 202.662 2.400 0 40 BEAB in-vitro CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)C1 37654973 KKWPFLRUMSAEPL-TUAOUCFPSA-N 226.364 2.199 0 40 BEAB C=C=CN1C(=O)OC[C@H]1c1ccccc1 38339007 FPCDELJNAKUUJG-NSHDSACASA-N 201.225 2.479 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCc1ccccn1 40465307 KHPZWSBCFFODIB-LLVKDONJSA-N 216.284 2.054 0 40 BEAB CCOCCCNC(=O)c1ccc(Cl)o1 40480698 HPPCORGCKUNNSC-UHFFFAOYSA-N 231.679 2.089 0 40 BEAB O=C(C1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 41172155 WLZRMOFYHOEQTP-ZDUSSCGKSA-N 249.285 2.136 0 40 BEAB CN(CC1CCOCC1)c1ccccc1N 42783198 LLAWRHYEOFIFTB-UHFFFAOYSA-N 220.316 2.132 0 40 BEAB Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(F)cc1 66091399 LZRYDSRIXOGDJB-SNVBAGLBSA-N 245.257 2.033 0 40 BEAB CCCN1CCC[C@H]1c1ccc(N)nc1 72212364 VHEOZDFBESXITP-NSHDSACASA-N 205.305 2.211 0 40 BEAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC1 73418766 ZFDUMNJKNFAHJI-UHFFFAOYSA-N 245.257 2.062 0 40 BEAB COC(=O)Cc1ccc2[nH]c(C(C)C)nc2c1 76211297 CNUPRWUULFCUBS-UHFFFAOYSA-N 232.283 2.402 0 40 BEAB CCNC(=O)Nc1cc(F)cc(F)c1 78265127 ROJMQBKEPUJWEU-UHFFFAOYSA-N 200.188 2.106 0 40 BEAB CN1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 80869583 OUPOBONEBFRSPF-LSDHHAIUSA-N 230.355 2.213 0 40 BEAB COCC[C@H](NCc1cccn1C)C(C)C 95413097 VOXNAIUJBQQYAX-ZDUSSCGKSA-N 224.348 2.176 0 40 BEAB COc1ccc(SC(C)=O)cc1OC 95730979 BOFMSRRUDUHCPK-UHFFFAOYSA-N 212.270 2.342 0 40 BEAB CCn1cnc2nc(C(F)F)nc(Cl)c21 96529536 OASPQNHYNCKXKY-UHFFFAOYSA-N 232.621 2.437 0 40 BEAB CN(C)c1cccc([C@@](C)(O)C2CC2)c1 96543391 CQANLTVDQDAHOW-ZDUSSCGKSA-N 205.301 2.370 0 40 BEAB COc1ccc2c(O)c(Cl)c(=O)oc2c1 104187398 JHKWIWSZBVLBAN-UHFFFAOYSA-N 226.615 2.161 0 40 BEAB CCOc1cccc([C@H](C)NCCOC)c1 152117845 CXFPHOLETWYXAA-NSHDSACASA-N 223.316 2.382 0 40 BEAB COc1ccc([C@H](NN)c2ccccc2F)cc1 161803246 VTBKEVBTEKEGGN-AWEZNQCLSA-N 246.285 2.387 0 40 BEAB C/C(=C\C(=O)N1CCC[C@@H]1CO)c1ccccc1 188326306 GTEKTSDWYBDPNM-IEZBTEQYSA-N 245.322 2.073 0 40 BEAB C[C@@H]1C[C@@]1(CN)[C@@H](O)c1cccc(Cl)c1 216576256 XBJANVHKFVLHTL-ZHAHWJHGSA-N 225.719 2.358 0 40 BEAB CNCCCNc1ccnc2ccccc12 222676115 WPOBYMGYWUNUHO-UHFFFAOYSA-N 215.300 2.256 0 40 BEAB CCc1ncnc(NCc2cccnc2)c1F 230354782 XHEDXNPIUYHSJA-UHFFFAOYSA-N 232.262 2.185 0 40 BEAB CCn1cnc2c(N3CCC[C@H](C)C3)ncnc21 299668846 ZPPGWQIFDTZWRB-JTQLQIEISA-N 245.330 2.083 0 40 BEAB COC(=O)[C@]12CC[C@H]1CN(Cc1ccccc1)C2 409431648 RRJBIWLHSMLLKD-ZFWWWQNUSA-N 245.322 2.072 0 40 BEAB Clc1cnc(OC2CCSCC2)nc1 585650811 FSQFLEDQKJCGDR-UHFFFAOYSA-N 230.720 2.404 0 40 BEAB O=C(c1ccncc1)N1CCC(C2CC2)CC1 646770171 CZPKXIOARAPUFV-UHFFFAOYSA-N 230.311 2.344 0 40 BEAB COC(=O)C1(c2cc(C)ccc2C)CC(=O)C1 685937184 LMONJZGXNYFEPP-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB CCCOc1c(C)cc(CC(N)=O)cc1C 685937319 GSSMZVMVSMZXLZ-UHFFFAOYSA-N 221.300 2.120 0 40 BEAB CCOC(=O)c1cc(=O)cc(-c2ccccc2)o1 1686404 NYYLTUCYTUTUOW-UHFFFAOYSA-N 244.246 2.484 0 40 BEAB COc1ccc2cc(C(=O)C=O)ccc2c1 2548078 BAVQWNGBJSPFBJ-UHFFFAOYSA-N 214.220 2.230 0 40 BEAB in-vitro NC(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2 5047764 ZUXPTCYOPAAOLB-ZDUSSCGKSA-N 240.262 2.239 0 40 BEAB C=Cc1nnnn1C12CC3CC(CC(C3)C1)C2 5052714 ZVAFAINNZGHGCY-UHFFFAOYSA-N 230.315 2.241 0 40 BEAB CCOC(=O)[C@@H](C)[C@](C)(O)c1ccccc1 5064358 PZTFVWFFIAHVSA-MFKMUULPSA-N 222.284 2.093 0 40 BEAB O=C(O)/C=C\c1c[nH]nc1-c1ccccc1 5615035 KDTWPCUMNLTCRW-SREVYHEPSA-N 214.224 2.175 0 40 BEAB COC(=O)CSCc1ccc(C)cc1 6788295 BEJDOFKYBKRURF-UHFFFAOYSA-N 210.298 2.401 0 40 BEAB CCCOc1cc(N2CCOCC2)ccc1C=O 8702377 OIOTYBQGHRIWGD-UHFFFAOYSA-N 249.310 2.125 0 40 BEAB C[C@H](NC(=O)c1cnccn1)c1ccc(F)cc1 9479859 JVGJHTLLCFAHMR-VIFPVBQESA-N 245.257 2.107 0 40 BEAB C[C@H](Sc1ccccc1)C(=O)N1CCC1 12914203 QTMPPWMLGUPUJP-JTQLQIEISA-N 221.325 2.400 0 40 BEAB Cc1cc(C)cc(C(=O)N2CCC[C@H](CO)C2)c1 12976926 BPMCZRNMJHZQCB-ZDUSSCGKSA-N 247.338 2.148 0 40 BEAB COC(=O)c1ncc(O)c2c1[nH]c1ccccc12 14445281 SRJGEVLILAHFEY-UHFFFAOYSA-N 242.234 2.208 0 40 BEAB biogenic,in-vitro CCN(C(=O)[C@H]1CCCCN1)C1CCCCC1 19516639 SIBPDJGGDYDFBX-CYBMUJFWSA-N 238.375 2.310 0 40 BEAB CC(=O)NC1(C)CCN(Cc2ccccc2)CC1 21985623 AOSOPBKZGPYHCS-UHFFFAOYSA-N 246.354 2.177 0 40 BEAB c1ccc2c(C3CCNCC3)n[nH]c2c1 22015394 NXXBDKOYTAXAKM-UHFFFAOYSA-N 201.273 2.030 0 40 BEAB in-vitro C[C@H](c1ccccc1)N1CCCNCC1 22465953 AXRZFZYEBYREDU-GFCCVEGCSA-N 204.317 2.043 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 31343618 GRKQWTRDLYRPKY-KWQFWETISA-N 217.268 2.216 0 40 BEAB Cc1cccc(C(=O)Nc2ccccn2)n1 34408987 UUYBLNWVKXRGHB-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB Nc1ccnn1Cc1ccc(Cl)s1 36906786 GRBIKNWFWQCAQV-UHFFFAOYSA-N 213.693 2.229 0 40 BEAB CCOc1cccc(CNc2ncccn2)c1 37680064 PFZTVCZULQADKJ-UHFFFAOYSA-N 229.283 2.487 0 40 BEAB OCCNc1ccnc2ccc(Cl)cc12 41474787 OFVQSWHSTNKHDI-UHFFFAOYSA-N 222.675 2.292 0 40 BEAB CC(C)C1CCC(N2CCNCC2)CC1 54557503 BWZWASSNJIBIDM-UHFFFAOYSA-N 210.365 2.106 0 40 BEAB in-vitro CC(C)c1ncc(Br)c(C(=O)O)n1 58041911 ZRKAYXAEJJRSBK-UHFFFAOYSA-N 245.076 2.061 0 40 BEAB O=C(CCCn1ccnc1)Nc1ccccc1F 58046440 PWCUZVNVJSFSNJ-UHFFFAOYSA-N 247.273 2.441 0 40 BEAB CCCN1CCCC[C@H]1c1ccc(=O)[nH]c1 68590743 DHHLBVKLGLWDMJ-LBPRGKRZSA-N 220.316 2.312 0 40 BEAB C[C@H]1C[C@@H](C)[C@@H](N)CN1Cc1ccccc1 68593011 JZDOXTQRTHHGOG-DYEKYZERSA-N 218.344 2.244 0 40 BEAB O=C(c1ccccc1)N1CCN[C@@H]2CCCC[C@@H]21 72210177 YKGRKMSDSHKIMV-KGLIPLIRSA-N 244.338 2.043 0 40 BEAB CC(=O)c1ccc(N2CCCC2)cc1O 72266655 KPIXFVMXHNDLCT-UHFFFAOYSA-N 205.257 2.195 0 40 BEAB in-vitro O=c1oc(-c2ccco2)nn1[C@@H]1C=CCCC1 76610149 PGCZEDDCPSCVMB-SECBINFHSA-N 232.239 2.378 0 40 BEAB O=C(Nc1ccccc1)[C@H]1CCCCCN1 80992914 ZAVKTXQFZUTIQZ-GFCCVEGCSA-N 218.300 2.157 0 40 BEAB CCOC(=O)/C=C/c1cc(N)ccc1C 83291617 WOZWNKNUKOFLGM-FNORWQNLSA-N 205.257 2.154 0 40 BEAB COc1ccnc(C(=O)N2CCCCCCC2)c1 89484055 YSKGBGRHMVKXRF-UHFFFAOYSA-N 248.326 2.497 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 89536772 UDWXGBZWWAUWHC-STQMWFEESA-N 248.326 2.107 0 40 BEAB C[C@@H](NCC1(CO)CC1)c1ccccc1N(C)C 93946451 UZQWLYNAWCOUQN-GFCCVEGCSA-N 248.370 2.176 0 40 BEAB NC[C@H](c1c(F)cccc1F)N1CCCCC1 95098740 WGHRSCWLDDGEMA-GFCCVEGCSA-N 240.297 2.451 0 40 BEAB CC(C)C[C@@H](C)N[C@H](C)CC(=O)NC(C)C 95423365 BCTUEEDKFRXWMY-VXGBXAGGSA-N 228.380 2.314 0 40 BEAB Brc1cccc([C@H]2COCCN2)c1 95692327 PVXORKMUACYCGX-SNVBAGLBSA-N 242.116 2.110 0 40 BEAB Cc1cnc(N[C@@H]2CCC[C@@]2(C)CO)nc1C 95978538 HAYKHPJOYJHYGP-YPMHNXCESA-N 235.331 2.056 0 40 BEAB CC[C@@H](NCCn1ccnc1)c1nccs1 97373862 XZPKDBKEFWOEQE-SNVBAGLBSA-N 236.344 2.081 0 40 BEAB CC(=O)NCCOc1ccccc1C(C)(C)C 108751147 INNPMZAFARYMJK-UHFFFAOYSA-N 235.327 2.499 0 40 BEAB CNCCCC(=O)NC1(c2ccccc2)CCC1 195543107 KFNKUOUQYMJTHB-UHFFFAOYSA-N 246.354 2.182 0 40 BEAB OCCCc1cnc(-c2ccccc2)nc1 206582563 JRVCRGINNLILQN-UHFFFAOYSA-N 214.268 2.069 0 40 BEAB Cc1c(F)cccc1N1CCN[C@@H]2CCC[C@@H]21 225717454 QINLAUWQAQYXRC-OCCSQVGLSA-N 234.318 2.465 0 40 BEAB Cc1cnn(C)c1NCCc1ccccc1 256053226 QOKKFKLWJSPPKE-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB CCn1cnc(CNCc2ccccc2)c1 575415014 HMKUZSPEAMZIOW-UHFFFAOYSA-N 215.300 2.193 0 40 BEAB Cc1csc(C(=O)NCc2cc(C)ncn2)c1 585361053 YDEJOXAHZLIEFJ-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CCOc1cc([C@H]2C[C@@H]2C(=O)O)ccc1F 709972672 SFPGDNUXEIEYEY-BDAKNGLRSA-N 224.231 2.413 0 40 BEAB Cc1ncc(NC(=O)OC(C)(C)C)cc1N 1307287697 NUIGEPXSRGNKQX-UHFFFAOYSA-N 223.276 2.319 0 40 BEAB CCCCCC[C@H](O)[C@@H](C)CC(=O)NC 1857787643 YNOBDTRTSUIOMS-QWRGUYRKSA-N 215.337 2.090 0 40 BEAB Cc1ccc(-c2cc(C)nc3ncnn23)cc1 521696 QKWRNBFDUPDKFQ-UHFFFAOYSA-N 224.267 2.408 0 40 BEAB CCOC(=O)[C@H](C)N(C)c1ccccc1 1604709 CZAVXCLGNKBHFF-JTQLQIEISA-N 207.273 2.074 0 40 BEAB O=C(OC12CCN(CC1)CC2)c1ccccc1 1716924 LNPJWSQKDLVLHE-UHFFFAOYSA-N 231.295 2.082 0 40 BEAB OC[C@@]12CCCC[C@H]1CC1(CC2)OCCO1 1729853 LMIFASMCQAQHPQ-RYUDHWBXSA-N 226.316 2.082 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCC[C@H]1C 2782032 RQRCWQHWRXZXDQ-SKDRFNHKSA-N 249.358 2.345 0 40 BEAB O=C(OC[C@@H]1CCCO1)c1cccnc1Cl 3184225 HIGUMXDGQDTRRI-QMMMGPOBSA-N 241.674 2.071 0 40 BEAB Cc1cc2oc(C(=O)O)cc(=O)c2cc1C 4985816 RTXTZTPZRBJVAN-UHFFFAOYSA-N 218.208 2.108 0 40 BEAB in-vitro CCCC(=O)NC(=S)Nc1ccccc1 5421747 FBNNFJLJINLWLJ-UHFFFAOYSA-N 222.313 2.300 0 40 BEAB CC(C)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C 6884380 TUFIBOHQJUSMKX-VIFPVBQESA-N 245.319 2.401 0 40 BEAB O=C(O)c1ccc(CNCc2ccncc2)cc1 8418791 PCELUTCIHXOIAQ-UHFFFAOYSA-N 242.278 2.070 0 40 BEAB Cc1ccncc1CNC(=O)c1ccccc1 11535860 AVBTVPUAUIQOJW-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB biogenic CCOC(=O)[C@@H](C(C)C)n1nc(C)cc1C 12399038 HFZVYBHEIZVBKB-LLVKDONJSA-N 224.304 2.260 0 40 BEAB CC[C@H](C)NC(=O)c1cc2ccccc2[nH]c1=O 12873184 SXUALQAPNYWDRX-VIFPVBQESA-N 244.294 2.056 0 40 BEAB CCc1nc2c(oc3ccccc32)c(=O)[nH]1 13142477 MKBGYAFFDQAUNU-UHFFFAOYSA-N 214.224 2.232 0 40 BEAB Cc1cc2cccc(C)c2nc1NCCN 13999100 QBSCEPKQRUVOTM-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB O[C@@H](CCOC(=S)S)c1ccccc1 16477351 NZLHIIHFJNTWNZ-VIFPVBQESA-N 228.338 2.341 0 40 BEAB CCO[P@@]1(=O)NCc2ccccc2N1 16688047 IYZCHMLLAHCPCF-AWEZNQCLSA-N 212.189 2.346 0 40 BEAB CN(CC[C@H]1CCCCN1)C(=O)OC(C)(C)C 19843835 SIXXXTZPDOPMFL-LLVKDONJSA-N 242.363 2.386 0 40 BEAB O=C(O)CCCc1ccc2c(c1)OCCCO2 20217142 IIHOORNILCTRKW-UHFFFAOYSA-N 236.267 2.255 0 40 BEAB Cc1nn(C)c(C)c1CCC(=O)NC1CCCC1 25320185 GRWFDODUZRNGTM-UHFFFAOYSA-N 249.358 2.028 0 40 BEAB C[C@@](N)(CCSCc1ccccc1)C(=O)O 29753871 SPJSMNWJNWKBOQ-GFCCVEGCSA-N 239.340 2.112 0 40 BEAB Nc1nc2scc(-c3ccccc3)n2n1 31891201 ZMXWKNBPMUFSMV-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 33028580 AMQFZOPFHJQGLB-KXUCPTDWSA-N 215.362 2.290 0 40 BEAB CON(C)C(=O)[C@@H](C)Oc1cccc(C)c1C 36391308 JXGSPBRXIVQEIC-LLVKDONJSA-N 237.299 2.091 0 40 BEAB Cc1cc(C(F)(F)F)ncc1C(=O)O 40448474 IJZZCZADLDCJRX-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB in-vitro O=C(O)c1coc(-c2ccc(F)cc2)n1 40449179 MSCLIRZXOMOBOM-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB CC(=O)CCCCC(=O)c1ccccn1 43210458 CPIFCTKWJUNUHZ-UHFFFAOYSA-N 205.257 2.414 0 40 BEAB Fc1ccc(OC[C@H]2CCCN2)c(F)c1 43496426 XXWTXXMYEVSWJN-SECBINFHSA-N 213.227 2.096 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1COc2ccccc2C1 47833522 FDQNCMVCDPEIMF-NTZNESFSSA-N 245.322 2.010 0 40 BEAB Cc1ccc(C)c(CSCC(N)=O)c1 58692455 YYUZFOISDMDFKS-UHFFFAOYSA-N 209.314 2.022 0 40 BEAB CO[C@@H](CN)c1cccc2ccccc12 62711392 YWBSFIWNDVVIKR-ZDUSSCGKSA-N 201.269 2.486 0 40 BEAB CCC(CC)NC(=O)c1cccc2cn[nH]c12 65401444 WRQDBUVQSQRBBP-UHFFFAOYSA-N 231.299 2.481 0 40 BEAB CCO[C@H]1Cc2ccccc2C[C@H](OCC)C1=O 68603482 PCVVUBXKJRVLQY-KBPBESRZSA-N 248.322 2.165 0 40 BEAB C[C@@H]1C[C@@H](N(C)CC2CCCCC2)C(=O)O1 69416469 FMQHDMFGLUNFGX-ZYHUDNBSSA-N 225.332 2.203 0 40 BEAB CCN(C)C(=O)N[C@H](C)Cc1ccccc1F 71892307 DRIHCLVRQKMGTD-SNVBAGLBSA-N 238.306 2.418 0 40 BEAB COc1ccc(COc2ccc(C)cn2)cn1 79061953 ASUUFSCXNASLOK-UHFFFAOYSA-N 230.267 2.373 0 40 BEAB C[C@H](c1ccc(F)cc1)N(CCN)C1CC1 79421288 HYZGUTPQKMUOHQ-SNVBAGLBSA-N 222.307 2.310 0 40 BEAB COC(=O)Cc1cccc2ccc(C)nc12 82777211 MVYIDFCWKYEFLL-UHFFFAOYSA-N 215.252 2.259 0 40 BEAB CCC[C@@H](CNC(=O)OC(C)(C)C)C(=O)O 83602309 ZMTFJZAKAIBBQV-QMMMGPOBSA-N 231.292 2.012 0 40 BEAB CN(Cc1cccc(Cl)c1)[C@H]1CCOC1=O 89361508 KZZBFSSWMCQOGB-NSHDSACASA-N 239.702 2.087 0 40 BEAB Brc1ccnc2c1CCCN2 95764035 CYTUKWQXFDIKLS-UHFFFAOYSA-N 213.078 2.202 0 40 BEAB in-vitro CC(C)[C@H](O)CCNc1nc2ccccc2[nH]1 95977448 FFVNMAXWCPJVHM-GFCCVEGCSA-N 233.315 2.382 0 40 BEAB CCCCNC(=O)NCc1cc(Cl)ccn1 95985676 RGPOVZWLIAKCTG-UHFFFAOYSA-N 241.722 2.334 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CNCCn1cccn1 95986282 ULEOHDRNTMVFSY-KGLIPLIRSA-N 233.359 2.465 0 40 BEAB CCN1CC[C@]12CCN(Cc1ccccc1F)C2 96090185 BSECRFUCVOVEKD-HNNXBMFYSA-N 248.345 2.496 0 40 BEAB CO[C@@H]1Sc2ccccc2NC(=O)[C@@H]1F 96171728 FYKUWOGIAABHAR-WCBMZHEXSA-N 227.260 2.041 0 40 BEAB CCn1cnnc1CN[C@H]1CCC[C@@H](C)[C@@H]1C 97237428 QDSVUTKYFJQKOM-WOPDTQHZSA-N 236.363 2.212 0 40 BEAB CCOC[C@H](C)Nc1ccc([S@@](C)=O)cc1 97371334 UYUHMSZIWBOKLC-QFYYESIMSA-N 241.356 2.261 0 40 BEAB CC[C@H](NCc1noc(C)n1)c1nccs1 97373874 YCLZFKJUHDLKGH-QMMMGPOBSA-N 238.316 2.075 0 40 BEAB C1CC[C@@H]2CCN(CC3CCNCC3)C[C@H]2C1 108275809 AKHRXOPFAVJESK-HUUCEWRRSA-N 236.403 2.498 0 40 BEAB CN[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 141180927 UZKARLOPBFXQHH-GFCCVEGCSA-N 235.327 2.159 0 40 BEAB C[C@H]1CCCCN1C(=O)NO[C@H]1CCCCO1 166917668 BYVAZLWJPPJEBV-QWRGUYRKSA-N 242.319 2.029 0 40 BEAB C[C@@H](NCCCO)C(C)(C)c1ccc(F)cc1 184841193 LDLBYNDEZVJQTI-LLVKDONJSA-N 239.334 2.464 0 40 BEAB C[C@H]1CC(C)(C)C[C@@H]1NCCCn1ccnn1 192391711 FAELYVBMFLIDES-RYUDHWBXSA-N 236.363 2.083 0 40 BEAB c1ccc(Cn2cnc(CNC3CC3)c2)cc1 232457073 SUWGWAROJQZLGH-UHFFFAOYSA-N 227.311 2.183 0 40 BEAB NC12CC(c3nc4ccccc4s3)(C1)C2 258834007 NTIFKVLRDGDNRA-UHFFFAOYSA-N 216.309 2.429 0 40 BEAB COc1cccc(-c2nc(CO)c(C)o2)c1 409424302 XYUUZZMHZUWSQX-UHFFFAOYSA-N 219.240 2.151 0 40 BEAB COc1cc(Br)c(C)cc1CO 642814614 MXTXKAAZJNZDFH-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB Cc1ccc(OCC(=O)O)cc1Cl 163318 SJYYKYLTOMNRHA-UHFFFAOYSA-N 200.621 2.112 0 40 BEAB CCc1cc(C(=O)Nc2ccccc2OC)[nH]n1 32144482 GNOJIYNIENOPLA-UHFFFAOYSA-N 245.282 2.233 0 40 BEAB N=C(N)c1ccc(C(F)(F)F)cc1F 1443061 XPSIMQXIRRBQFF-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB CCCC[C@@H](CC)[C@@H]1OC(=O)[C@@H](C)O1 4578859 OXGGCDPISRUOIL-KKZNHRDASA-N 200.278 2.491 0 40 BEAB CN1CCC[C@H](NC(=O)OCc2ccccc2)C1 108186073 SLOROVLITRFUFM-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB CCCc1noc2nc(C)cc(C(=O)O)c12 22169691 UPLQNWLOZPYPCN-UHFFFAOYSA-N 220.228 2.182 0 40 BEAB in-vitro COC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 16973524 MFDNNGIAYVBRMF-UHFFFAOYSA-N 248.282 2.101 0 40 BEAB COc1cccc(/C=C/C(O)=C/C2=NCCN2)c1 62716125 MNZPIRKXSNAONF-NARAHQAKSA-N 244.294 2.152 0 40 BEAB CCOCC(=O)Nc1cc(C)cc(C)c1 2069471 LSAVNYYELYFNSO-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB CCCNC(=O)C(C)(C)c1ccccc1 58298615 UMDPDASJRHVOKK-UHFFFAOYSA-N 205.301 2.490 0 40 BEAB Cc1ccc(CNC(=O)c2ccccn2)s1 48345176 NHKNRMJLRAISBW-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC(C)=CC(=O)NC[C@H](C)Cn1nc(C)cc1C 48408298 REERPVBEZAAXOC-NSHDSACASA-N 249.358 2.218 0 40 BEAB O=C1COc2ccc(Cl)cc2CN1C1CC1 65184362 OWVHHBXIHQMHEX-UHFFFAOYSA-N 237.686 2.223 0 40 BEAB Cc1cc(C=O)c(C)n1Cc1ccccn1 4973753 HKXZVKKNFBABIW-UHFFFAOYSA-N 214.268 2.361 0 40 BEAB CC(C)CO[C@H](C(=O)O)c1ccccc1 19435405 SMIQLHGQFUBFOC-NSHDSACASA-N 208.257 2.485 0 40 BEAB CCc1ccc(N2CCC(=O)CC2)cc1 19427546 LOKGYBQCMXQCHJ-UHFFFAOYSA-N 203.285 2.418 0 40 BEAB in-vitro Cc1cc(C)c2c(C(=O)O)cc(O)nc2c1 9556458 FSJHOQBEQVNFSJ-UHFFFAOYSA-N 217.224 2.255 0 40 BEAB CC[C@@H]1CN(CCCO)c2ccccc2O1 75840288 LVSMDFFWHYQCJY-LLVKDONJSA-N 221.300 2.046 0 40 BEAB CCCCN(C(=O)CN)[C@H](C)c1ccccc1 76617200 UPAQVJVAWWRZAM-GFCCVEGCSA-N 234.343 2.335 0 40 BEAB COc1ccc(CCOc2cc(C)n(C)n2)cc1 95982003 RTHOCXLWVBPLEJ-UHFFFAOYSA-N 246.310 2.359 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 89536726 NTFGQJHSPLRJOX-PHIMTYICSA-N 218.300 2.051 0 40 BEAB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@H]1O 1480995 YEDFEBOUHSBQBT-CABCVRRESA-N 240.258 2.364 0 40 BEAB biogenic,in-vitro Cc1ccc(-c2cc(CC(=O)O)[nH]n2)cc1 39075928 SHHGKAXBATYOKA-UHFFFAOYSA-N 216.240 2.012 0 40 BEAB CN1CCC(C(=O)NC2CCCCCC2)CC1 74713290 DLTCIUXPGCJBBU-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB Cc1nn(C(C)C)c(C)c1[C@@H](C)OCCN 72219917 OXKIAGHSFWKFBR-LLVKDONJSA-N 225.336 2.117 0 40 BEAB CCCc1ccccc1O[C@H]1CCNC1 42776265 NXECBHNRKIDNOQ-LBPRGKRZSA-N 205.301 2.380 0 40 BEAB CCOC(=O)c1nn(-c2ccc(C)cc2)nc1C 45920314 CNFVPOLMVFYZAX-UHFFFAOYSA-N 245.282 2.061 0 40 BEAB COc1ccc(C(=O)c2ccccn2)c(OC)c1 43210499 AGQJUAXUYVZJQQ-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB CC(C)Cc1nc([C@@H]2CCCCN2)no1 40443495 BXKODDVEAPYOOT-VIFPVBQESA-N 209.293 2.083 0 40 BEAB CCOC(=O)c1cc(C)c(OC)c(C)c1 43503526 VTPOFWHQBYJVTQ-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB CCNC(=O)COc1ccc2c(c1)CCCC2 133432896 BVJHVMDITJJLGG-UHFFFAOYSA-N 233.311 2.080 0 40 BEAB CCOC(=O)[C@H](CC)SC[C@H]1CCN(C)C1 194542863 ULEQCGSQZDXPRV-QWRGUYRKSA-N 245.388 2.013 0 40 BEAB CC(C)C(=O)Nc1cc(-c2cccnc2)no1 96184014 YUGSJWJOFVLMMP-UHFFFAOYSA-N 231.255 2.331 0 40 BEAB CCc1cc(NC2CCSCC2)n(C)n1 95992235 PYBAKNYGWKYQSV-UHFFFAOYSA-N 225.361 2.290 0 40 BEAB C[C@H]1CCC[C@@H](C)N1C(=O)N1CCCO1 96501719 LCHNEYMYERFGRS-AOOOYVTPSA-N 212.293 2.007 0 40 BEAB CCOC(=O)C(C)(C)Oc1ccc(C)nc1 91695856 HJDNQNFFWYYOIG-UHFFFAOYSA-N 223.272 2.111 0 40 BEAB O=C1NC(=O)[C@H](c2cccc(Cl)c2)S1 91690446 TURGTQILWPTNBT-ZETCQYMHSA-N 227.672 2.364 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1cncc(Cl)c1 252483215 DXKABCCNKZTURV-GZMMTYOYSA-N 226.707 2.175 0 40 BEAB CCCS(=O)(=O)CCN(C(C)C)C1CCC1 89960351 MMSWSCWILJFEOA-UHFFFAOYSA-N 247.404 2.074 0 40 BEAB Cc1noc(NCc2ccccc2F)n1 95445185 ZNRHTUPLFWYKFV-UHFFFAOYSA-N 207.208 2.129 0 40 BEAB CC(C)N1CC[C@@H](NCCC(C)(C)C)C1=O 97103950 VMFLUPCQCUWGNE-LLVKDONJSA-N 226.364 2.022 0 40 BEAB CCc1ccccc1N(C)[C@H](C)C(=O)O 260677387 BXFCZOYCHUEESS-SECBINFHSA-N 207.273 2.158 0 40 BEAB O=C(Nc1ccccc1)N1CCCC[C@@H]1CO 16489427 LWFQRGBCXGCCSI-GFCCVEGCSA-N 234.299 2.065 0 40 BEAB Nc1ccc(Cl)cc1C(=O)OCC1CC1 20155239 KDJBFNDWVYDWIB-UHFFFAOYSA-N 225.675 2.489 0 40 BEAB COC(=O)c1cnc2cc(OC)ccc2c1 380890267 MWPAWFRYCVOTTE-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB [O-][n+]1ccn(O)c1-c1ccc2ccccc2c1 5705216 LAQQVMBUWQZYND-UHFFFAOYSA-N 226.235 2.179 0 40 BEAB Cc1ccc(Nc2nccc3c2nnn3C)cc1 5337612 MVPKTLVCYZEATM-UHFFFAOYSA-N 239.282 2.415 0 40 BEAB CC[C@@H](C)NC[C@H](O)COc1ccccc1C 16758636 ILLZYUQZSHRPQG-OLZOCXBDSA-N 237.343 2.123 0 40 BEAB CC[C@@H](C)n1c2c(c(=S)[nH]c1=O)CCC2 8737544 FUKVSCHATSDMHG-SSDOTTSWSA-N 224.329 2.366 0 40 BEAB Cc1nc2ccccc2n1[C@@H]1CC[C@H]1O 585298979 XNCQQVKPUUFWOW-VXGBXAGGSA-N 202.257 2.041 0 40 BEAB COC(=O)c1cccc(NC(=O)c2ccco2)c1 123682 LWOMBHVRHLEMNU-UHFFFAOYSA-N 245.234 2.319 0 40 BEAB COC(C[C@@](C)(O)Cc1ccc(F)cc1)OC 163544 AVZDLLDTMAVFRI-ZDUSSCGKSA-N 242.290 2.128 0 40 BEAB O=C(Nc1cccnc1)N1CCCCC1 189569 FBBUFCPHBWJFDL-UHFFFAOYSA-N 205.261 2.099 0 40 BEAB CCn1c(NC(C)=O)nc2ccccc21 845899 CTAOPYAHPUKQBH-UHFFFAOYSA-N 203.245 2.015 0 40 BEAB CCCC[C@@H](CC)CNC(=O)C[C@H](C)O 2019927 WTBQLHRVRKXSPX-WDEREUQCSA-N 215.337 2.090 0 40 BEAB in-man CCN(CC)C[C@@H](O)c1ccccc1F 2042460 SHKYAYDSKYMSOT-GFCCVEGCSA-N 211.280 2.201 0 40 BEAB Cc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1 3755321 OXDQBBXNNBILKU-CYBMUJFWSA-N 233.311 2.434 0 40 BEAB N[C@@H]1Nc2ccc(Br)cc2S1 5571841 VSXKTDHBBAKHAR-SSDOTTSWSA-N 231.118 2.209 0 40 BEAB CCC(=O)Cc1ccc2[nH]c(C)cc(=O)c2c1 8627493 ZGUKXSZHDQVAEK-UHFFFAOYSA-N 229.279 2.358 0 40 BEAB Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C 9937226 UHIVITAEXQENIV-UHFFFAOYSA-N 222.675 2.436 0 40 BEAB OC12C3CCC[C@]14CCC[C@@]2(CCC3)O4 12341508 HLKDPNIGJWAHCF-UNTZMWQOSA-N 208.301 2.393 0 40 BEAB CC(C)[C@H](O)[C@@]1(C)CC[C@@H](C(=O)O)C(C)(C)O1 13404634 QJANQSIODSCOQO-OUJBWJOFSA-N 244.331 2.052 0 40 BEAB biogenic CC(C)(C)C(=O)NCCc1ccsc1 13698208 FGNRABXUVFANPN-UHFFFAOYSA-N 211.330 2.453 0 40 BEAB Fc1ccc(COC[C@@H]2CCCNC2)cc1 14631112 KZQDFKLPSSMHRM-GFCCVEGCSA-N 223.291 2.342 0 40 BEAB COc1cccc(CNC(=O)c2ccncc2)c1 15923951 NWNPAMBWZPQTRX-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB c1ccc(OCCNCc2ccco2)cc1 19737992 VDJHUVSOEDSQMJ-UHFFFAOYSA-N 217.268 2.448 0 40 BEAB Nc1cccnc1NCCc1ccccc1 20278636 AHVRYQBUUAZWMF-UHFFFAOYSA-N 213.284 2.318 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@]12OC[C@@H](CO)O2 21989122 ZBJCYZPANVLBRK-FVCCEPFGSA-N 228.332 2.183 0 40 BEAB Cc1cc(C(=O)Nc2ccnn2C(C)C)on1 22290102 MKJOKPWNUYLIOV-UHFFFAOYSA-N 234.259 2.013 0 40 BEAB Cc1ccc(Cn2nc(N)cc2C)cc1 26438903 GAELYXRTGBDAED-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB Cc1nc2c(s1)[C@H](c1ccco1)NCC2 28428648 WRZWOIMKWHLHBB-JTQLQIEISA-N 220.297 2.280 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1ccncc1 30800392 VMHPJQWNIQDKND-UHFFFAOYSA-N 216.284 2.000 0 40 BEAB Cc1ncc(C(=O)O)n1[C@@H](C)c1ccccc1 31723323 BFSWOODTTDXMRA-VIFPVBQESA-N 230.267 2.499 0 40 BEAB COc1cccc(-n2nc(C)c(C(=O)O)c2C)c1 32102392 UXHVSLDNCXPFRB-UHFFFAOYSA-N 246.266 2.196 0 40 BEAB COc1cccc(-c2c[nH]c([C@H](C)N)n2)c1 32628206 NKVSKEXCSNQNSN-QMMMGPOBSA-N 217.272 2.105 0 40 BEAB NN(CCc1ccccn1)c1ccccc1 34132164 SSAIUVODWPVVLV-UHFFFAOYSA-N 213.284 2.004 0 40 BEAB C[C@@H]1CC(N)C[C@@H](C)N1Cc1ccccc1 34725295 VVQHCVRZYPYZNW-VXGBXAGGSA-N 218.344 2.387 0 40 BEAB CC[C@H]1CN(C(=O)c2sccc2C)CCO1 40062970 JIUMOFBUXSXDCH-JTQLQIEISA-N 239.340 2.308 0 40 BEAB Cc1n[nH]cc1CNCCc1ccsc1 42351579 NIHTVSNEYGPZAA-UHFFFAOYSA-N 221.329 2.112 0 40 BEAB NC(=O)[C@H](NCc1ccsc1)c1ccccc1 56153660 AEPDAALTVRSKHS-GFCCVEGCSA-N 246.335 2.064 0 40 BEAB Cc1cc(C(=O)Nc2ccnn2CC(C)C)no1 69486057 NUXJALKYBKYCMB-UHFFFAOYSA-N 248.286 2.088 0 40 BEAB CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccccc1 69493083 ZPCYUQCSVNTKTK-CABCVRRESA-N 248.370 2.058 0 40 BEAB O=C(NC1CCCCCC1)c1cnco1 82317303 SQEISKRLGANZMI-UHFFFAOYSA-N 208.261 2.127 0 40 BEAB CC(C)CCO[C@@H]1CCN(Cc2ccon2)C1 83247579 JPHGTPGSZKILKG-CYBMUJFWSA-N 238.331 2.312 0 40 BEAB COc1cccc2c3c([nH]c12)CCN(C)C3 83729046 WCXJOWOZMZUUGW-UHFFFAOYSA-N 216.284 2.164 0 40 BEAB Cc1cccc2c(Br)cnn12 84312704 WVRZICKHSORBHY-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB OCCCN(Cc1ccon1)c1ccccc1 85900880 UCPULKACJZNXEL-UHFFFAOYSA-N 232.283 2.064 0 40 BEAB Cc1cccc([C@H](C)N2CC[C@H](CO)C2)c1 89669124 ASVQWMPHZDILRV-STQMWFEESA-N 219.328 2.370 0 40 BEAB CCC(CC)(CC)CNC(=O)[C@@H](C)OC 89942994 KJZJHRUSMDGUCP-SNVBAGLBSA-N 215.337 2.354 0 40 BEAB COC(=O)CN1CCC[C@@H]1c1ccsc1 95350329 KUVNFNXCQAIBKS-SNVBAGLBSA-N 225.313 2.058 0 40 BEAB CO[C@H](CNC(=O)C1CC1)c1ccccc1C 96104898 ZEAMAQXMGFBWEM-CYBMUJFWSA-N 233.311 2.209 0 40 BEAB CSC[C@@H](C)OC(=O)c1ccoc1C 96452578 PRYURARLPHBJFZ-SSDOTTSWSA-N 214.286 2.496 0 40 BEAB CCS(=O)(=O)[C@H](C)C(=O)c1ccccc1C 96518018 NZDXUCJLGPMBFT-SNVBAGLBSA-N 240.324 2.001 0 40 BEAB N[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 96523536 VYFQPYRYGNABJO-LLVKDONJSA-N 242.725 2.402 0 40 BEAB CC1(C)[C@H]2CN(C(=O)C3CCCC3)C[C@@H]21 102728492 LZVKEEQQPLTASF-QWRGUYRKSA-N 207.317 2.291 0 40 BEAB CC1(C)C[C@@]23CC(=O)C[C@@H]2[C@H]1CC[C@@H]3C(=O)O 108227067 RBEOLCQUJOIXDY-ZHSDAYTOSA-N 236.311 2.493 0 40 BEAB biogenic,in-vitro CCOC(=O)C(=O)c1c[nH]c2ccc(C)cc12 110523396 AXDHOUVFLBQVCJ-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB COC(=O)[C@@]1(C)CC[C@](C)(C(=O)O)C1(C)C 217719934 HGTOFGDHNFUVAG-VXGBXAGGSA-N 228.288 2.077 0 40 BEAB COc1ccc(CN2CCN[C@H]3CCC[C@H]32)cc1 218841618 PUTBBWFXENCFPK-LSDHHAIUSA-N 246.354 2.022 0 40 BEAB CC[C@H](C(=O)O)N(C)c1cc(C)ccc1OC 225001393 PIFGLFPCIAKSNF-SNVBAGLBSA-N 237.299 2.303 0 40 BEAB CN1C(=S)S[C@@H]2Cc3ccccc3O[C@@H]21 225392729 DJRNZJLDMXIVHT-ZJUUUORDSA-N 237.349 2.280 0 40 BEAB CC(=O)Nc1ccc(N2CCC(C)CC2)c(N)c1 226262785 QKSFVFQTEBLDRB-UHFFFAOYSA-N 247.342 2.464 0 40 BEAB C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCCCNC1=O 248734509 BKHRNHPVSLCPIK-GRYCIOLGSA-N 238.375 2.069 0 40 BEAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cn1 335697527 HYHFCUCESRLONP-IUCAKERBSA-N 226.226 2.230 0 40 BEAB CC(C)[C@H](O)[P@](=O)(O)CCc1ccccc1 550311 XMDMSDCYKWBMBH-GFCCVEGCSA-N 242.255 2.474 0 40 BEAB COC1=CC(=O)O[C@@](C)(c2ccccc2)C1 2045839 AQXPHIBTEWIJBS-CYBMUJFWSA-N 218.252 2.379 0 40 BEAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCO1 2773676 VWFLYEWALAAOCG-GXTWGEPZSA-N 247.338 2.303 0 40 BEAB Cc1cccc(C(=O)Nc2nncs2)c1 3016642 CSQROMOXHVBSTH-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 4031458 LDYZADQDAXBOIE-ZCFIWIBFSA-N 210.302 2.226 0 40 BEAB CCN1C(=O)S/C(=C/c2cccc(O)c2)C1=O 6325796 HCVBDPBWLIAQSP-JXMROGBWSA-N 249.291 2.448 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1C 9995736 LEFLQGBTEAGYHY-LLVKDONJSA-N 248.326 2.157 0 40 BEAB Cc1nn(-c2ccccc2)c2nccnc12 16266522 XBMLPARVFOXLGE-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB O=C(O)CCn1c(C(F)F)cc2cccnc21 19347171 QAHILQKLDYFUJQ-UHFFFAOYSA-N 240.209 2.449 0 40 BEAB COc1ccc2cc([C@@H](C)NN)ccc2c1 19516643 SMPZSDNKCIECTD-SECBINFHSA-N 216.284 2.373 0 40 BEAB CCOc1ccc(N)cc1C(=O)NC1CCCC1 20155831 VPZLMSRCCMRTQJ-UHFFFAOYSA-N 248.326 2.340 0 40 BEAB CCCN(CCC)c1ccc(CN)cn1 21958211 XVBDIIWGVPYLSB-UHFFFAOYSA-N 207.321 2.167 0 40 BEAB in-vitro Cc1nc(Cl)c(N)c(N2CCC(C)CC2)n1 24993450 WUXLHYZLXQBFCL-UHFFFAOYSA-N 240.738 2.257 0 40 BEAB O=C(Nc1nc2c(s1)CCC2)c1cccnc1 25768001 KOMCCWDFZPVBQQ-UHFFFAOYSA-N 245.307 2.279 0 40 BEAB COCCOc1ccc(NC(=O)C2CCC2)cc1 29216441 HAHUUXBTIJCVED-UHFFFAOYSA-N 249.310 2.450 0 40 BEAB CC(C)c1ccccc1NC(=O)[C@@H]1CCC(=O)N1 32999933 MWSQDYGFKHWVBM-LBPRGKRZSA-N 246.310 2.027 0 40 BEAB CC[C@@H]1CCCCN1C(=O)CSC 33019204 YNPCEPMSDHUOHW-SECBINFHSA-N 201.335 2.141 0 40 BEAB Cc1csc(CC(=O)OC(C)(C)C)n1 38342266 MLQVUFYQYRTZBT-UHFFFAOYSA-N 213.302 2.336 0 40 BEAB in-vitro O=C1COc2ccc(-c3cscn3)cc2N1 41104770 YAMJTRADUJUKES-UHFFFAOYSA-N 232.264 2.141 0 40 BEAB CCc1ccc(C(=O)N(C)[C@H](CC)C(=O)O)cc1 44612062 MHLUMHIZDHNULF-GFCCVEGCSA-N 249.310 2.184 0 40 BEAB CN(Cc1ccccc1)C1CCC(N)CC1 55144244 RKCSTEYXULIVGG-UHFFFAOYSA-N 218.344 2.388 0 40 BEAB CCn1ccnc(NC2CCCCC2)c1=O 61761957 MGJYPRRYDRHHDK-UHFFFAOYSA-N 221.304 2.008 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1cc(Cl)cc(Cl)c1 62713757 VNCYDWKHUUKZGP-WDEREUQCSA-N 246.137 2.418 0 40 BEAB O=C(Nc1cc(-c2cccnc2)no1)C1CCC1 65152650 UFEPEKKMVWRBSG-UHFFFAOYSA-N 243.266 2.475 0 40 BEAB CNCc1cc(OC)c(OC)cc1Cl 66148426 STFBNDJYWUQSPN-UHFFFAOYSA-N 215.680 2.077 0 40 BEAB Cc1cnn(C[C@H](C)NCc2ccsc2)c1 69455548 KNZUSJWYQHYIIQ-NSHDSACASA-N 235.356 2.431 0 40 BEAB CCOC(=O)CCOc1cc(F)ccc1F 70819569 FIJCBRXCQGSRAJ-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB CCc1ccc(S(=O)(=O)O)c(C(C)(C)C)n1 71404331 UBWVVTVZLJNJEQ-UHFFFAOYSA-N 243.328 2.188 0 40 BEAB CCCC[C@@H](CC)C(=O)N1CCN[C@H](C)C1 71978901 SEWVWPDQTJUGNR-VXGBXAGGSA-N 226.364 2.023 0 40 BEAB CCOc1ncccc1[C@@H]1CCCCN1C=O 72211871 PRSZJRZSPONZFS-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB CC(C)(C)n1nccc1[C@H]1CCCNC1 75869865 ALGBEHHQUQHNGO-JTQLQIEISA-N 207.321 2.105 0 40 BEAB Clc1ncc(Br)n2cncc12 89195424 ZXAOZDUZOLCLGD-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB O=C([C@H]1CCCc2[nH]ncc21)N1CCCCCC1 89764892 LVUSFWRCPJWUKI-NSHDSACASA-N 247.342 2.232 0 40 BEAB O=[S@@](O)Cc1c(F)cccc1Cl 95080934 XLCJDMZCNLHKOC-UHFFFAOYSA-N 208.641 2.201 0 40 BEAB CC[C@H](NCc1nc(C)no1)c1nccs1 97110745 VLWYVVYUDODATH-QMMMGPOBSA-N 238.316 2.075 0 40 BEAB O=C(O)CC12C[C@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 100084031 YQXJBYAQGPMUEP-ACXUVZMJSA-N 238.283 2.132 0 40 BEAB CC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 102251057 MGIPVOLWDXMUMG-AVGNSLFASA-N 219.328 2.457 0 40 BEAB COc1ccc(-c2noc(C(C)(C)OC)n2)cn1 191584634 CNVHBZDRGXSJFR-UHFFFAOYSA-N 249.270 2.022 0 40 BEAB Sc1nc2c(Cl)ncnc2s1 217468998 HYTQJDBPWYRNTG-UHFFFAOYSA-N 203.679 2.028 0 40 BEAB N[C@H]1CCC[C@@H]1Nc1cc(F)ccc1F 218882521 XCPUZSHCBZMRPF-UWVGGRQHSA-N 212.243 2.257 0 40 BEAB Cc1ccc(OCCO[C@@H]2CCCCO2)nc1 225664236 NRVZKGIWCQMUQG-CYBMUJFWSA-N 237.299 2.312 0 40 BEAB Cc1cc(C)nc(N2CCC[C@@H](CF)C2)n1 882800620 HASMFLAXUJDCOA-NSHDSACASA-N 223.295 2.279 0 40 BEAB CC(C)CC(=O)Nc1cccc(CN)c1 21957304 FBQAWKBZUZETAK-UHFFFAOYSA-N 206.289 2.130 0 40 BEAB in-vitro NC1CC(C(F)(F)F)(C(F)(F)F)C1 57219013 QUTPPDWWJFTGSW-UHFFFAOYSA-N 207.117 2.219 0 40 BEAB CN(C)c1ccc(NC(=O)[C@@H]2CC=CCC2)cn1 22395979 IOBTVFDHQHKGJF-LLVKDONJSA-N 245.326 2.442 0 40 BEAB CN(C)c1ccc(NC(=O)C[C@H]2C=CCC2)cn1 24115483 DLDJNEVEWNLTQY-NSHDSACASA-N 245.326 2.442 0 40 BEAB COc1ncccc1NC(=O)c1ccoc1C 47554075 IULBIRCKRGRRRJ-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB CN(C)C(=O)CCSc1ccc(F)cc1 47651317 GBUZGTQPIGHKBB-UHFFFAOYSA-N 227.304 2.396 0 40 BEAB O=C1[C@H]2CCC[C@@H]1C[C@H]1CCCC[C@]21O 100800528 PDLKQXJZJXLNBA-PRULPYPASA-N 208.301 2.297 0 40 BEAB CC(C)N(C)C(=O)[C@@H](C)SC1CCOCC1 89856809 WRPVRVXDYJMIKC-SNVBAGLBSA-N 245.388 2.154 0 40 BEAB O=C(O)c1ccc(OCc2ccccc2)nc1 1714854 GZIVKNLUMBURSC-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro CC(C)[C@@H]1CNCCN1Cc1ccccc1 35565292 YXLPJNMJKHDTFJ-AWEZNQCLSA-N 218.344 2.116 0 40 BEAB in-vitro Cc1cc([C@@H]2CCCN2CCN)sc1C 22763076 WANDVQYSFFJOEI-NSHDSACASA-N 224.373 2.461 0 40 BEAB CCOC(=O)CCCC(=O)C1CCCC1 2379029 NRMVAQXDOTYGBH-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB Cc1cc(CN(C)C(=O)c2ccccc2F)no1 37987227 LTENMIXQAFTDDD-UHFFFAOYSA-N 248.257 2.394 0 40 BEAB Oc1nnc(Cc2ccc(Cl)cc2)o1 63110918 NXINMZRUERWNOM-UHFFFAOYSA-N 210.620 2.019 0 40 BEAB in-vitro C[C@H](O)[C@H]1CCCCN1Cc1ccccc1 69563254 GABUHJHKJGAPEA-GXTWGEPZSA-N 219.328 2.422 0 40 BEAB CCS(=O)(=O)Nc1cccc(Cl)c1C 6048793 USOFKBFCQZUQAI-UHFFFAOYSA-N 233.720 2.410 0 40 BEAB O=C(O)c1cccnc1NC1CCCC1 4216363 BNPHCDCKTRSFKH-UHFFFAOYSA-N 206.245 2.134 0 40 BEAB in-vitro C[C@@H](CCc1ccc(O)cc1)NCc1ncc[nH]1 49715402 XJQVHAJMWQDWHP-NSHDSACASA-N 245.326 2.226 0 40 BEAB CCCN(CCC)Cc1nc(CC)no1 65542421 MWHGUUIRDKOFRJ-UHFFFAOYSA-N 211.309 2.254 0 40 BEAB NCCc1c(Cl)cccc1N1CCCC1 82610933 HDEXMBPVKYRGPK-UHFFFAOYSA-N 224.735 2.441 0 40 BEAB in-vitro CCC(CC)CNC(=O)N1C[C@H](C)O[C@@H](C)C1 71856721 VGILEWGNNCLVKU-QWRGUYRKSA-N 242.363 2.241 0 40 BEAB COCCn1nc(C)c(NCC(C)C)c1C 97049513 QVTWKWWRVPHONJ-UHFFFAOYSA-N 225.336 2.214 0 40 BEAB CCOC(CN1[C@H](C)CC[C@H]1C)OCC 97161667 HIGCOTCDNPEBCH-GHMZBOCLSA-N 215.337 2.258 0 40 BEAB CSCCCNC(=O)N[C@H](C)c1ccoc1 95421902 MLKAWSQAMSHUSS-SECBINFHSA-N 242.344 2.393 0 40 BEAB COc1cc(-c2ccc3[nH]ccc3c2)nc(N)n1 32519416 ICBLMZVUNOLBNZ-UHFFFAOYSA-N 240.266 2.216 0 40 BEAB COc1ncc([C@@H]2CCCCN2C(C)=O)cc1C 72217755 IVWJMJJBNYKLIP-ZDUSSCGKSA-N 248.326 2.472 0 40 BEAB COc1cccc(CN)c1OCC(C)C 35412937 QOLWOGBXKSIFCC-UHFFFAOYSA-N 209.289 2.189 0 40 BEAB C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CN 70176828 ADVQKRDOEPCDLT-YPMHNXCESA-N 238.375 2.153 0 40 BEAB c1ccc(-c2noc(-c3cscn3)n2)nc1 78773856 RVLIBHIGHGGZRR-UHFFFAOYSA-N 230.252 2.255 0 40 BEAB CCn1nccc1CN1CCOc2ccccc21 184942181 HETSVQQYHUURNF-UHFFFAOYSA-N 243.310 2.302 0 40 BEAB Cc1ccc(N2CCN[C@@H]3CCC[C@H]32)c(F)c1 218848775 WCLVXNUMFSIOLP-TZMCWYRMSA-N 234.318 2.465 0 40 BEAB CCC(=O)NCCOc1cc(C)ccc1C 224049422 LSIKBUPOTXYMEH-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB C[C@@H](O)CN(C)CC[C@@H](C)c1ccccc1 194630510 AKXCCFVLJCTBRE-CHWSQXEVSA-N 221.344 2.493 0 40 BEAB CCCC[C@H](CC)COC[C@@H](O)CN(C)C 85392003 GZNYCROFCICNNW-STQMWFEESA-N 231.380 2.142 0 40 BEAB N[C@@H](c1ccccc1)c1n[nH]c(-c2ccco2)n1 95533378 PNJPLGRBNURGHO-NSHDSACASA-N 240.266 2.113 0 40 BEAB CCn1cc(N)c(NCc2ccccc2)n1 95836758 FORIZKYMBDAGHO-UHFFFAOYSA-N 216.288 2.097 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]2(CO2)C(C)(C)C1 390822166 NXYFKJCZVXPERN-CYBMUJFWSA-N 241.331 2.422 0 40 BEAB O=C(O)c1c(Cl)ccn(-c2ccccc2)c1=O 575422839 JIEYHDANWMBZEG-UHFFFAOYSA-N 249.653 2.189 0 40 BEAB Cc1cc(N)cc(C(F)(F)F)c1C(=O)O 575719512 DZRCPWYCNCBQDA-UHFFFAOYSA-N 219.162 2.294 0 40 BEAB COC[C@@H](C)CN[C@H](C)c1cccc(O)c1 45656602 NRRJQCJQXPDDJU-WDEREUQCSA-N 223.316 2.325 0 40 BEAB COC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 50974709 ZIRDWWNAXJFVAZ-MRVPVSSYSA-N 235.066 2.200 0 40 BEAB in-vitro Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2O)s1 708665148 MXSHJBALIAEDRG-VHSXEESVSA-N 239.340 2.042 0 40 BEAB c1csc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)n1 1889061773 PRHRPPBPFVVFSE-QWRGUYRKSA-N 249.383 2.064 0 40 BEAB O=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1CO 1597580 HTYFPCXDHPXDJO-WCQYABFASA-N 233.311 2.424 0 40 BEAB COc1cc(F)ccc1-c1cc(C(=O)O)no1 258309314 SNALMKXUNAXMBI-UHFFFAOYSA-N 237.186 2.188 0 40 BEAB Cc1cccc(OCCN2CCC(CN)CC2)c1 11889104 GHCRNQGDGMDNJO-UHFFFAOYSA-N 248.370 2.045 0 40 BEAB CCS[C@H]1CC(=O)N(c2ccccc2)C1=O 19765496 GXQMAOCSDRSFSL-JTQLQIEISA-N 235.308 2.072 0 40 BEAB Cc1n[nH]c(C)c1CCN1CCCCC1 6232734 VVTKZQIXCMSBLM-UHFFFAOYSA-N 207.321 2.055 0 40 BEAB Cn1cnc2cc(C(=O)NC(C)(C)C)ccc21 74705553 VXTKJAHHLFIXBH-UHFFFAOYSA-N 231.299 2.102 0 40 BEAB CN(C)CCCN1CCC2(CCSCC2)C1 1603885 LXFXJXKHUYWETH-UHFFFAOYSA-N 242.432 2.157 0 40 BEAB C[C@]1(O)CCC[C@@H]1NCc1ccccc1 306454976 ZVEQSCRTRZHYTD-STQMWFEESA-N 205.301 2.080 0 40 BEAB CN(C)CCNc1ccc(C(F)(F)F)cn1 20013554 NJSHDLTWCCUBNY-UHFFFAOYSA-N 233.237 2.074 0 40 BEAB Cc1cc(C)[n+](C)c2cc(-c3ccccc3)nn12 492875 KETVXOAHTOZBKG-UHFFFAOYSA-N 238.314 2.443 0 40 BEAB C=C(c1ccccc1)N1N=N[C@H]2CCO[C@H]21 1579982 YFBDYCQTMWEQOA-NWDGAFQWSA-N 215.256 2.455 0 40 BEAB CNC(=S)[C@]1(c2ccccn2)CCCS1 1999555 ITNLONMDUMHEOK-LLVKDONJSA-N 238.381 2.351 0 40 BEAB in-man COc1ccccc1CNC(=O)c1ccccn1 3614915 IGAJGEZVRGTGAG-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CC1=C(CNc2ncnc3[nH]cnc23)CC=CC1 5086253 RNFHQDMCPKSVHD-UHFFFAOYSA-N 241.298 2.431 0 40 BEAB Cc1c(C)n(-c2ccccn2)c2ncnc(N)c12 6672310 PPBZWZKBEYQAQV-UHFFFAOYSA-N 239.282 2.015 0 40 BEAB COc1ccc(CS[C@@H](C)C(=O)O)cc1 6850653 GNTHNQABQYGUHG-QMMMGPOBSA-N 226.297 2.402 0 40 BEAB CC(=O)N1CCc2nc3ccccc3cc21 11535857 KBJYSSJAVZUXTQ-UHFFFAOYSA-N 212.252 2.144 0 40 BEAB Cc1cc(C)c2c(C3CC3)nn(CC(=O)O)c2n1 12395217 KHRQTNIJKWGROM-UHFFFAOYSA-N 245.282 2.010 0 40 BEAB CCN1CCC[C@@H]1CNCc1ccccc1F 19527253 MOYOOSFYJWAKGJ-CYBMUJFWSA-N 236.334 2.400 0 40 BEAB Nc1ccc(S(=O)(=O)Cc2ccccc2)cc1 19787586 OVGZSYUPUWEPFZ-UHFFFAOYSA-N 247.319 2.243 0 40 BEAB O=C1CS[C@H](c2cccs2)N1C1CC1 19926927 SEOZNFPPFPCUFS-SNVBAGLBSA-N 225.338 2.485 0 40 BEAB NC[C@@H](c1cccc(F)c1)N1CCCCC1 22176734 JQIARQLCOJMLDZ-ZDUSSCGKSA-N 222.307 2.311 0 40 BEAB Cc1cc(C)c2nc(N3CCNCC3)sc2c1 26422391 VLTGTAWRTRKWQG-UHFFFAOYSA-N 247.367 2.323 0 40 BEAB COc1ccccc1/C=C/C(=O)NC(C)C 28472801 YTDMYRFLWDSNCT-CMDGGOBGSA-N 219.284 2.233 0 40 BEAB Nc1nnc(S[C@@H]2CCCCCC2=O)s1 29302963 XAAFDSKUDMQYEU-SSDOTTSWSA-N 243.357 2.114 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(O)c1 33028970 ROFVSPPLKSBBHZ-RKDXNWHRSA-N 205.257 2.295 0 40 BEAB O=C(O)[C@H]1CCCN1Cc1cccc(F)c1F 36889027 JAFLOKLZEDKDEK-SNVBAGLBSA-N 241.237 2.014 0 40 BEAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H]1O 37489619 IXHIAEDIWOYRFY-OLZOCXBDSA-N 205.301 2.032 0 40 BEAB COc1cccc(CCC(=O)N2CCCC2)c1 40476581 YOYOAZLPAPIFBF-UHFFFAOYSA-N 233.311 2.250 0 40 BEAB Cc1nc2c(NCc3ccc(C)o3)ncnc2[nH]1 41123986 LEZLVSCWOILLJJ-UHFFFAOYSA-N 243.270 2.175 0 40 BEAB CC(=O)Oc1ccccc1C(=O)c1ccco1 43210682 WQDATVXQSHKNRT-UHFFFAOYSA-N 230.219 2.436 0 40 BEAB OCCN(Cc1c(F)cccc1Cl)C1CC1 48065325 JCTJDLCJMUMQMZ-UHFFFAOYSA-N 243.709 2.436 0 40 BEAB Cc1ccc(C)c(OC[C@H](O)CN2CCCC2)c1 48368146 CTKZZOKQHZDHHB-CQSZACIVSA-N 249.354 2.139 0 40 BEAB CO[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 49080939 JKUSOQFPUNDOKP-GVDDXCRBSA-N 237.343 2.106 0 40 BEAB CC(C)c1n[nH]c(NC(=O)CCc2ccco2)n1 58358202 NQDRHPACVMILER-UHFFFAOYSA-N 248.286 2.092 0 40 BEAB C[C@H](Nc1ncccn1)c1ccc2c(c1)OCO2 58368047 JJEGVYTXKKLKMD-VIFPVBQESA-N 243.266 2.378 0 40 BEAB NCc1nc2cccc(Br)c2o1 62529392 YHKZNUKPPUKPME-UHFFFAOYSA-N 227.061 2.049 0 40 BEAB O=C(c1ccco1)N1CCCc2ncccc21 65566257 DYFXKTUIEXHEQU-UHFFFAOYSA-N 228.251 2.268 0 40 BEAB Cc1cc(OC(F)F)c(C(=O)O)s1 68591636 WKQQJRYYMBSRSM-UHFFFAOYSA-N 208.185 2.356 0 40 BEAB in-vitro CC[C@@H](CO)Nc1ccnc(-c2ccccc2)n1 69844484 UGJYHQLXUJDRLA-LBPRGKRZSA-N 243.310 2.326 0 40 BEAB CC(C)(C)C(=O)N1CCOc2ccccc2C1 70263984 PJSQQLCEJQRHCQ-UHFFFAOYSA-N 233.311 2.454 0 40 BEAB Cn1c2c(cc(Br)c1=O)CCCC2 72207368 RTXHRYRKOMNFOC-UHFFFAOYSA-N 242.116 2.027 0 40 BEAB Cc1noc(Cn2ccc(-c3ccccc3)n2)n1 72302040 VHQGQKAZSOHUIK-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB C[C@@H]1CCC[C@@H](OCC(=O)N2CCCC2)C1 84689635 NVTZYABFJBSWBE-VXGBXAGGSA-N 225.332 2.204 0 40 BEAB C[C@H](Cc1ccoc1)NC(=O)c1ccco1 84835684 PLSWUAVRQXFAOL-SECBINFHSA-N 219.240 2.234 0 40 BEAB FC(F)(F)c1c[nH]nc1C(F)(F)F 96102743 OERNNUCUUZXPBL-UHFFFAOYSA-N 204.073 2.447 0 40 BEAB CN1CCC[C@]2(CCN(Cc3ccco3)C2)C1 96215217 SKEBJGKZJGRVFH-AWEZNQCLSA-N 234.343 2.197 0 40 BEAB O=C(O)c1noc2ccc(Br)cc12 96877736 KOYBGMVZWNFEIM-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB in-vitro CON(C)C(=O)c1cccc(-c2ccccc2)n1 98175427 TXSFOQRGEFOJJF-UHFFFAOYSA-N 242.278 2.382 0 40 BEAB CN(C)C(=O)Cc1ccc(Cl)cc1F 169830952 LHAGZHCGZYBYBL-UHFFFAOYSA-N 215.655 2.110 0 40 BEAB C[C@H]1CCC[C@H](NC(=O)c2ccon2)CC1 188924402 CCIJOPQVZMTSRE-UWVGGRQHSA-N 222.288 2.373 0 40 BEAB CC(=O)Oc1cccc(C(=O)C(C)C)c1 197638169 RCMWUKATCGFZLP-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB N[C@@H](C(=O)O)c1cc(-c2ccccc2)cs1 199810485 YXEPRDHDKVBHSX-LLVKDONJSA-N 233.292 2.500 0 40 BEAB COC(=O)[C@H]1C[C@H]1C(=O)c1ccc2c(c1)CCC2 217818657 DTDYBZPONKCLMU-OLZOCXBDSA-N 244.290 2.167 0 40 BEAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)O 218675104 DYJPIJRUQUDZJB-UHFFFAOYSA-N 246.266 2.114 0 40 BEAB O=C1OCOc2c(Br)ccc(F)c21 258830489 HCUODSBPYOFDLU-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB Cc1ncn(-c2ccc3cccnc3c2)n1 2362803702 ZHWHUWYSVTXOAU-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB Cc1ccccc1OCC(=O)NC(C)(C)C 142305 PNTMIRLQNULKGO-UHFFFAOYSA-N 221.300 2.289 0 40 BEAB NC(=O)[C@@H](c1ccccc1)C1CCCC1 150428 JSUQXHOMGSWZBI-LBPRGKRZSA-N 203.285 2.446 0 40 BEAB CSc1nn(-c2ccccc2)cc1C(N)=S 161481 BRULMRGZQNDVKY-UHFFFAOYSA-N 249.364 2.228 0 40 BEAB COc1ccc2c(c1)CCc1cnoc1-2 1654189 ABJNFGKXRLXHAJ-UHFFFAOYSA-N 201.225 2.449 0 40 BEAB CC[C@H](C)OC(=O)[C@@H](O)c1ccccc1 1693714 HFSGWDZFNVDYJK-ONGXEEELSA-N 208.257 2.062 0 40 BEAB CCOC(=O)[C@@H](CC(C)=O)c1ccccc1 2045628 MPTUXQOIIUTVGD-LBPRGKRZSA-N 220.268 2.312 0 40 BEAB Cc1nc2ccccc2n1CC(=O)NC(C)(C)C 5627767 VNSYSHFXFSKTAE-UHFFFAOYSA-N 245.326 2.259 0 40 BEAB Fc1cccc(-c2nnc3ccc(S)nn23)c1 6084348 IDSBFELKKTYKHE-UHFFFAOYSA-N 246.270 2.219 0 40 BEAB O=C(O)CC[C@H]1CCc2cccc(O)c2C1=O 6513264 DSGYEDWJTLMBRN-SECBINFHSA-N 234.251 2.002 0 40 BEAB CSc1nnc(-c2ccoc2C)n1C 7236622 CODKDDGJJYFKDU-UHFFFAOYSA-N 209.274 2.105 0 40 BEAB CCCOC(=O)c1cc(N)ccc1Cl 9189629 BSBGRZNFZKZGAE-UHFFFAOYSA-N 213.664 2.489 0 40 BEAB CNCC1CCN(Cc2ccc(F)cc2)CC1 11889165 ZUINFQOHZVXDKK-UHFFFAOYSA-N 236.334 2.257 0 40 BEAB CCCc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 12896252 FCAJUGBVJNATGI-LLVKDONJSA-N 247.294 2.077 0 40 BEAB in-vitro C(=C\c1ccccc1)\COn1ccnc1 12959445 ZIHQJCDDFLUDGA-DAXSKMNVSA-N 200.241 2.025 0 40 BEAB S=c1[nH]c2cc(Br)cnc2[nH]1 16383456 AOLQXGYCKFKIPQ-UHFFFAOYSA-N 230.090 2.383 0 40 BEAB in-vitro COc1ccc(NC[C@@H]2CCOC2)cc1 19964862 MOKHPDAMAWUTHI-JTQLQIEISA-N 207.273 2.144 0 40 BEAB COC(=O)CNc1cccc(Br)c1 20051889 RNUPNFJZQXITID-UHFFFAOYSA-N 244.088 2.034 0 40 BEAB COc1ccc(OCc2cccnc2)c(C=O)c1 20284367 GXQNKVDAAINMNE-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB in-vitro Cc1c(CNCc2cccs2)cnn1C 20351187 GZDXQBBGUHUBJJ-UHFFFAOYSA-N 221.329 2.080 0 40 BEAB CCCOc1ccc(CNCCO)cc1Cl 20925420 HMSXDULOWCLDGZ-UHFFFAOYSA-N 243.734 2.211 0 40 BEAB C[C@@H](CN)c1cccc(OC(F)F)c1 37245905 ARDHVAPZVXMAEQ-ZETCQYMHSA-N 201.216 2.350 0 40 BEAB CCCC(=O)N(C)Cc1ccc(C(=O)O)cc1 37863501 HDPHSYDZJLTRPT-UHFFFAOYSA-N 235.283 2.143 0 40 BEAB Cc1nc(C(C)C)sc1C(=O)N(C)C 40093846 MTHSKYPLEIMOLX-UHFFFAOYSA-N 212.318 2.277 0 40 BEAB Cc1cc(N2CCNCC2)nc2c(F)cccc12 40175215 UZRBVYIZJJBCEL-UHFFFAOYSA-N 245.301 2.092 0 40 BEAB COCCCNC(=O)CCCc1cccs1 40459479 IZOGPHJLTKNFCK-UHFFFAOYSA-N 241.356 2.224 0 40 BEAB C[C@@H](CO)Oc1cccc(Br)c1 41256853 SPPIMKWICZRCGJ-ZETCQYMHSA-N 231.089 2.209 0 40 BEAB C[C@H](NCCn1cccn1)c1cccc(F)c1 42538968 GSXDVPRURKKHAQ-NSHDSACASA-N 233.290 2.373 0 40 BEAB Fc1cccc(F)c1COC[C@@H]1CCCNC1 42782983 FODBEWUXCNZEMM-SNVBAGLBSA-N 241.281 2.481 0 40 BEAB CC(C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 43323670 LFTQRMKZAXONPV-LLVKDONJSA-N 242.363 2.384 0 40 BEAB Cc1cnc(NC(=O)NCc2ccco2)s1 43386090 HGFKOGSTNWAOHK-UHFFFAOYSA-N 237.284 2.366 0 40 BEAB CSc1nc(C)c(C)n1C[C@H]1CCCO1 44868399 VUQAYAQZQKTDIJ-SNVBAGLBSA-N 226.345 2.401 0 40 BEAB Cc1cccc(OCC(=O)Nc2cc(C)n[nH]2)c1 47555491 OLBFNOFJWNPFJK-UHFFFAOYSA-N 245.282 2.044 0 40 BEAB CN(CCCNC(=O)C1CC1)c1ccccc1 57288548 SYDUIIJQVOTXSU-UHFFFAOYSA-N 232.327 2.039 0 40 BEAB c1cnc2ccc(N[C@H]3CCOC3)cc2c1 70969315 SDOFMQAVKABXCD-LBPRGKRZSA-N 214.268 2.436 0 40 BEAB Nc1nccc(-c2cccc3cnccc23)n1 72207100 JUPDFJNPMKBWJT-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB CC[C@H](C)NC(=O)c1ccc2c(c1)nc(C)n2C 74957285 KEGNMYOXBZEIHQ-VIFPVBQESA-N 245.326 2.410 0 40 BEAB CCS[C@H]1CC[C@@H](N(C)CCOC)C1 76068129 QZPJMAAVNYMIHR-MNOVXSKESA-N 217.378 2.239 0 40 BEAB CCCCS[C@@H](C)C(=O)N[C@@H](C)CCCO 79095194 YWEXSDCGVKLIMP-QWRGUYRKSA-N 247.404 2.185 0 40 BEAB CC(C)(C)c1nccc(N2CCCC[C@H]2CO)n1 89761526 AHLDVJNKCABJRR-NSHDSACASA-N 249.358 2.125 0 40 BEAB CCC(=O)Nc1ccc(NC(=O)OC)c(F)c1 96009032 MUKQOHYIZSKVPT-UHFFFAOYSA-N 240.234 2.353 0 40 BEAB COC(OC)[C@@H](F)c1nc2ccccc2[nH]1 96171712 PMIASLDMEPYMHF-VIFPVBQESA-N 224.235 2.192 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1ccc(F)cc1 96529846 BYYSIIGQQQFDCJ-JOYOIKCWSA-N 209.264 2.265 0 40 BEAB c1csc(CCSc2cn[nH]n2)c1 97014268 YGIKUVGAFMBVOD-UHFFFAOYSA-N 211.315 2.201 0 40 BEAB OC[C@H]1CCCCC[C@H]1N[C@@H]1CCCSC1 97371007 XONVDBHBIGNZGZ-JHJVBQTASA-N 243.416 2.413 0 40 BEAB CON(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 97402924 ITNPKUYNWKBAAX-SFYZADRCSA-N 239.237 2.375 0 40 BEAB CN1C[C@H]2Cc3ccc(O)cc3[C@@](C)(C2)C1 104199568 CGKYCWJVDWFBSM-HZMBPMFUSA-N 217.312 2.158 0 40 BEAB O=C(Nc1ccccc1)N1[C@H]2CC[C@H]1CC(O)C2 107921341 IYVBMWXCMGSXMX-RYUDHWBXSA-N 246.310 2.206 0 40 BEAB CCCOC(=O)OCC(F)(F)C(F)F 169795738 FXGNWQQBLSFFAP-UHFFFAOYSA-N 218.146 2.450 0 40 BEAB Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1 187923675 SBVORCLLFFOEQZ-UHFFFAOYSA-N 245.330 2.120 0 40 BEAB CCc1cc(C(F)(F)F)ncc1C(=O)O 199562201 AMCBWVGBSVRBSB-UHFFFAOYSA-N 219.162 2.361 0 40 BEAB O=C(O)c1cc2c(Br)c[nH]c2cn1 212480951 NFFVILGKFLEZKD-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CC(=O)NCCOc1ccc(C)c(Cl)c1 224114899 YBHOCEBQCWRLPO-UHFFFAOYSA-N 227.691 2.163 0 40 BEAB Cc1noc(-c2cncnc2NCCC(C)C)n1 253471438 CPVFJAIKASWIIJ-UHFFFAOYSA-N 247.302 2.293 0 40 BEAB CCn1cncc1COC(=O)[C@@H]1CC[C@H](C)C1 1518049745 XFBHOOKGPKPGSZ-WDEREUQCSA-N 236.315 2.382 0 40 BEAB CCNC(=O)c1ccc(F)c2cccnc12 1524482191 GTPGCLOMCNIVDY-UHFFFAOYSA-N 218.231 2.124 0 40 BEAB CC[C@H](C)N1CCC(COc2ncccn2)CC1 1888853417 WVIRMWBWKQKULK-LBPRGKRZSA-N 249.358 2.366 0 40 BEAB CN(C)c1ncnc2c1[nH]c1ccc(F)cc12 117472 RJHDXNPSVUYURN-UHFFFAOYSA-N 230.246 2.316 0 40 BEAB COc1cc(OC)c2cc(OC)c(OC)cc2n1 384407 QQGQDLAGTNVENE-UHFFFAOYSA-N 249.266 2.269 0 40 BEAB COc1ccc2c(=O)c(S)coc2c1 1587469 VABYPFUFJPBAGT-UHFFFAOYSA-N 208.238 2.090 0 40 BEAB OCCc1ccc(Nc2cc(Cl)ncn2)cc1 1675997 ALDXJMUDOOTYRK-UHFFFAOYSA-N 249.701 2.408 0 40 BEAB CCN(CC)[C@H](C)c1ccc(C(=O)OC)o1 4311275 YMNZYUAHDZFTPZ-SECBINFHSA-N 225.288 2.469 0 40 BEAB COC(=O)c1ccc(Cn2ccnc2C)cc1 4386749 YHETXFIBOZUBQU-UHFFFAOYSA-N 230.267 2.026 0 40 BEAB CCOC(=O)CN(N=O)c1ccc(C)cc1 5047829 DCXADGUAIHPZFO-UHFFFAOYSA-N 222.244 2.046 0 40 BEAB O=C1c2ccccc2SC[C@@H]2CCCN12 5767912 ZEKYTGQESNCOEA-VIFPVBQESA-N 219.309 2.397 0 40 BEAB O=C(Nc1ccccc1O)c1ccncc1 5772016 RJTOQJYONLWMHJ-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB CC(C)C(=O)NCc1nc(-c2ccccc2)no1 6660534 RSFXEPAMUSMADY-UHFFFAOYSA-N 245.282 2.009 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COC(C)(C)C)C1 7636314 ZBIFCFISTMMDTM-UPJWGTAASA-N 243.391 2.140 0 40 BEAB CCC[C@@]1(C)NC(=S)N(CCC(C)C)N1 9189215 SPOTYUQSDPXGSB-NSHDSACASA-N 229.393 2.244 0 40 BEAB Cn1nnnc1SC/C=C/c1ccccc1 12882603 NKRQCGRONKYCME-VMPITWQZSA-N 232.312 2.016 0 40 BEAB Cc1noc(C(C)C)c1C(=O)Nc1ccn(C)n1 12901188 DKPLSFXYCDVGCP-UHFFFAOYSA-N 248.286 2.092 0 40 BEAB Cc1ccc(N2CCN[C@H](C)C2)cc1C 16944762 BWMPEXYPBJMTBL-GFCCVEGCSA-N 204.317 2.102 0 40 BEAB in-vitro CCCOC(=O)c1cc(Cl)ccc1N 20155161 QOIBCGKGFZQLLW-UHFFFAOYSA-N 213.664 2.489 0 40 BEAB CC(C)n1cnnc1S[C@H]1CCCCC1=O 32669899 HWMJDZZHDFAHBK-JTQLQIEISA-N 239.344 2.463 0 40 BEAB Cc1occc1C(=O)N1CCC[C@H](C)C1 32747704 PHAXTDFSYBLZCT-VIFPVBQESA-N 207.273 2.460 0 40 BEAB O=C(NCc1cc(F)cc(F)c1)c1ccoc1 32809386 ABURBZGJNRJVFW-UHFFFAOYSA-N 237.205 2.488 0 40 BEAB COc1ccc([C@H]2CCCN2C(C)=O)cc1 32819470 ZFYAMIVRZMXOKQ-CYBMUJFWSA-N 219.284 2.379 0 40 BEAB COc1ccc(CC(N)=S)cc1OC(F)F 36379929 PGUCYDZAIDPIRW-UHFFFAOYSA-N 247.266 2.125 0 40 BEAB Cc1ccnc2c1NC(=O)c1cccnc1N2 40380305 RKCRKBSFEVQVSX-UHFFFAOYSA-N 226.239 2.094 0 40 BEAB in-vitro CNC(=O)[C@@H](C)Sc1ccc(F)cc1 40464746 QYLXOLUWTMUIHV-SSDOTTSWSA-N 213.277 2.052 0 40 BEAB Cc1ccc(CSCC(=O)N(C)C)cc1 41364770 DMOKOVAFCNIBHE-UHFFFAOYSA-N 223.341 2.316 0 40 BEAB C[C@H]1CCC(=O)[C@@H](C(=O)c2ccco2)C1 43651459 ANGMEORCXOCVFA-IUCAKERBSA-N 206.241 2.468 0 40 BEAB CCc1n[nH]c(SCCOC(C)(C)C)n1 49517196 LNXWUQUIRFPENQ-UHFFFAOYSA-N 229.349 2.274 0 40 BEAB COC(=O)c1ccoc1CN1CCCCCC1 55255655 BQVVUTUURLRMGC-UHFFFAOYSA-N 237.299 2.442 0 40 BEAB CN1CCN(c2nccc3ccc(F)cc23)CC1 59854889 LWMOLLDYISCLGM-UHFFFAOYSA-N 245.301 2.126 0 40 BEAB Cc1cc(C)n([C@H](CC(=O)O)C(F)(F)F)n1 62757517 AOHWTAFIWVYNQU-SSDOTTSWSA-N 236.193 2.078 0 40 BEAB COC(=O)c1ccc(Cc2ccccc2)n1C 72324042 FNQWFOMAGYGFGN-UHFFFAOYSA-N 229.279 2.403 0 40 BEAB NCCOC[C@H]1CCCCN1Cc1ccccc1 79390680 CASWRKZWJGTYJM-OAHLLOKOSA-N 248.370 2.016 0 40 BEAB Cc1ccc(CN(C(=O)[C@H](C)N)C(C)C)cc1 79420314 CQSXKBJNPFVALE-LBPRGKRZSA-N 234.343 2.079 0 40 BEAB C[C@@H](c1ccc(F)cc1)N(CC(=O)O)C1CC1 79421359 IHLAEDMZDKJXBW-VIFPVBQESA-N 237.274 2.436 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)O)C1 85210732 MBHLTXJJVQMUHJ-SECBINFHSA-N 243.303 2.108 0 40 BEAB Cc1cnc(COC(=O)c2scnc2C)o1 95405261 YCQFUBOLXVYQPS-UHFFFAOYSA-N 238.268 2.105 0 40 BEAB CC(=O)Nc1cc(-c2cccc(F)c2F)n[nH]1 95416058 OOENPBPHGIVIFH-UHFFFAOYSA-N 237.209 2.313 0 40 BEAB O=C1Cc2ccccc2-c2cccnc2N1 95643099 GDZSEAOCYLAVOG-UHFFFAOYSA-N 210.236 2.243 0 40 BEAB COc1ccc([C@@H](O)c2cccn2C)c(C)c1 95727845 IATSMRZFXKKPHU-CQSZACIVSA-N 231.295 2.424 0 40 BEAB C[C@H](SCC1CCC1)C(=O)NC1CC1 96433452 VZIQEQJOQPSWNG-QMMMGPOBSA-N 213.346 2.187 0 40 BEAB c1cc([C@@H]2CCCCN2)n(C2CCC2)n1 96509761 OELCYGHWPKGZGG-NSHDSACASA-N 205.305 2.423 0 40 BEAB COC[C@H]1CCCN(c2cccc(C)n2)C1 97096464 QQJRALFLWWQAPD-LBPRGKRZSA-N 220.316 2.253 0 40 BEAB Cc1coc2ccc(NC(=O)CN(C)C)cc12 188886286 VYXJFJVSUIKLPS-UHFFFAOYSA-N 232.283 2.241 0 40 BEAB OC[C@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218700180 CZENZKXMJJJJSR-GHMZBOCLSA-N 214.211 2.177 0 40 BEAB CCOC(=O)c1cc2nccnc2cc1Cl 225732194 FOPDLVXHCBLJGS-UHFFFAOYSA-N 236.658 2.460 0 40 BEAB CC1(C)CC(=O)[C@H]2C(c3cccs3)=NN[C@H]2C1 228921801 SBTWTTZVJMNJSG-KWQFWETISA-N 248.351 2.429 0 40 BEAB Oc1cc(C(F)(F)F)nn1C1CCC1 257197938 NYPOCIXULQCVQL-UHFFFAOYSA-N 206.167 2.333 0 40 BEAB C[C@H]1CCN(C(=O)C2(C)COC2)CC12CCC2 336392281 GJTLISXBGURLFB-NSHDSACASA-N 237.343 2.062 0 40 BEAB Nc1ccc2nc(Cl)cc(C(=O)O)c2c1 685937703 PKWRMWSAIVEHQJ-UHFFFAOYSA-N 222.631 2.169 0 40 BEAB Cc1cc(N(C)C(=O)[C@@]2(C)CCCO2)ccc1O 913528672 GOYMOUZJFKBKHH-CQSZACIVSA-N 249.310 2.233 0 40 BEAB Brc1ccccc1-c1cnon1 952959214 IDEXJEFEURRTAM-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB COC(=O)CCc1c[nH]c2cc(F)ccc12 1857793197 FDYHBRWZRPLHQJ-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB Cn1cnc(-c2ccc(F)c(Cl)c2)n1 2362801732 PASIFYQKHWABSJ-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 60673 UZVRBGFSWNVIHK-SECBINFHSA-N 234.299 2.173 0 40 BEAB O=C(CCC1CCCC1)Nc1ncccn1 505467 JZTBJXYLRPYEEV-UHFFFAOYSA-N 219.288 2.386 0 40 BEAB COc1cccc(CN2CCCC[C@@H]2C(=O)O)c1 3754745 FSNSOIRVTRIDGK-CYBMUJFWSA-N 249.310 2.134 0 40 BEAB Cc1cc(C=O)c(C)n1CC(F)(F)F 5573889 HLFAYEMLDYVEGC-UHFFFAOYSA-N 205.179 2.480 0 40 BEAB COc1ccc(NC2=NC(=O)SC2)cc1 7275676 WRRKDKBLYPXJIW-UHFFFAOYSA-N 222.269 2.372 0 40 BEAB CCCc1cc(O)n2nc(-c3ccco3)nc2n1 8828749 QHXLGESAWLKILX-UHFFFAOYSA-N 244.254 2.042 0 40 BEAB O=C(Nc1ccccn1)[C@@H]1CC=CCC1 12538194 YKSUCZHFZGUTOB-SNVBAGLBSA-N 202.257 2.376 0 40 BEAB CCCC[C@@]1(O)OC(=O)C2=C1CCC=C2 13380496 JGIFAEPLZJPSHA-GFCCVEGCSA-N 208.257 2.069 0 40 BEAB biogenic,in-vitro COC(=O)CNc1ccccc1Br 20051674 WMWLRYVJDPXSRH-UHFFFAOYSA-N 244.088 2.034 0 40 BEAB O=C(O)[C@@H]1CC(c2ccc3ccccc3c2)=NO1 20594073 USWIOJQJTBCIDO-ZDUSSCGKSA-N 241.246 2.417 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 21958936 DIDOKOLOHVIZJC-LBPRGKRZSA-N 247.294 2.074 0 40 BEAB in-vitro Cc1nn(C)c(C)c1NC(=O)C[C@H]1C=CCC1 22838069 WIHHPKIOTPFELZ-NSHDSACASA-N 233.315 2.332 0 40 BEAB OC1=C(C2=NCCN2)CC/C1=C\c1ccco1 23623040 CIDKCCRMGGBCIM-CMDGGOBGSA-N 230.267 2.271 0 40 BEAB COc1cc(OC)cc(C2(N)CCCC2)c1 33487157 ORJLFRDWUHYMSU-UHFFFAOYSA-N 221.300 2.432 0 40 BEAB NC(=O)c1ccc(Nc2ccccc2F)c(N)c1 35059422 PMRFQDFKBKBCCV-UHFFFAOYSA-N 245.257 2.250 0 40 BEAB Cc1ccc(C)c([C@H]2CN[C@H](C)CO2)c1 36986459 UPQRMTDTWIYURA-DGCLKSJQSA-N 205.301 2.353 0 40 BEAB in-vitro Cc1ccc(NC(=O)CC[C@@H]2CCCO2)nc1 40086533 CXODMMFNZZDGOP-NSHDSACASA-N 234.299 2.288 0 40 BEAB CCCN(CCO)C(=O)Nc1ccc(C)cc1 42239174 MKVKVVDPWJMUHZ-UHFFFAOYSA-N 236.315 2.231 0 40 BEAB CCCc1ccccc1O[C@@H]1CCNC1 42776261 NXECBHNRKIDNOQ-GFCCVEGCSA-N 205.301 2.380 0 40 BEAB O=Cc1c[nH]c2nc(Br)ccc12 44713375 DQHQOTOTCUBNFL-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro O=C(Nc1ccccc1)C(=O)N1CCCCCC1 47932101 UFGNXZHUAVLDNR-UHFFFAOYSA-N 246.310 2.028 0 40 BEAB CNCc1cc(-c2ccc(F)c(F)c2)[nH]n1 50478985 NKECXKLUNBGBKB-UHFFFAOYSA-N 223.226 2.074 0 40 BEAB Nc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716618 AXEOUKHOWHEWSH-UHFFFAOYSA-N 249.657 2.238 0 40 BEAB CCOC(=O)CC(C)(C)N(CC)CC 70824272 YARXARZGXWCQFZ-UHFFFAOYSA-N 201.310 2.060 0 40 BEAB COC(=O)[C@@]1(C)CCc2ccccc2C1 71790764 XOYPOULSHGDOMD-ZDUSSCGKSA-N 204.269 2.355 0 40 BEAB in-vitro c1cc2nnnn2nc1NC1CCCCCCC1 71818217 PSZUQZBJKOLXDL-UHFFFAOYSA-N 246.318 2.044 0 40 BEAB OCc1cc(F)ccc1OC(F)(F)F 71867288 JKXVLACUMFQMNS-UHFFFAOYSA-N 210.126 2.217 0 40 BEAB Cc1cc(=S)[nH]cc1[C@@H]1CCCN1C=O 72218307 ILELZHSFIITTDC-JTQLQIEISA-N 222.313 2.346 0 40 BEAB CCOC(=O)CC[C@@H](F)CCOC(=O)CC 72283992 LBVYKLFUQACTQF-SECBINFHSA-N 234.267 2.011 0 40 BEAB CC(C)c1n[nH]c(-c2ccncc2F)n1 83094148 CWVSQMOFMHAOGZ-UHFFFAOYSA-N 206.224 2.129 0 40 BEAB c1ccc(CN2CC[C@@H]3CNCC[C@H]3C2)cc1 83328873 HMEQPPDSBRYYKW-CABCVRRESA-N 230.355 2.118 0 40 BEAB in-vitro Cc1nc(CNc2ccc(C)c(F)c2)no1 84501440 QVOOGFRRMZTEKL-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB C[C@@H](CCn1cncn1)N[C@@H](C)c1ccco1 95419474 UGGJFTJDZVOQAP-QWRGUYRKSA-N 234.303 2.001 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CNCCn1cccn1 95986284 ULEOHDRNTMVFSY-ZIAGYGMSSA-N 233.359 2.465 0 40 BEAB CCOC(=O)c1cc2cc(C)ncc2[nH]1 100269620 ANFSMOBHBMAIKL-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB in-vitro Clc1ccc2[nH]nnc2c1Br 113305845 BQEBFRMSFXJNCA-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB NC[C@H](c1ccccc1)[C@H](CN)c1ccccc1 164957622 SYFQMERGCCDSAG-HZPDHXFCSA-N 240.350 2.471 0 40 BEAB CC(C)(C)OC(=O)CN1CCCC1(C)C 170872745 DRYUMICHMUKBSV-UHFFFAOYSA-N 213.321 2.203 0 40 BEAB CCOc1ccccc1-n1cccc1CO 223736632 LDYFOBFXLNSULE-UHFFFAOYSA-N 217.268 2.368 0 40 BEAB CO[C@H](Cc1cccc(Cl)c1C)C(=O)O 225072340 YNPYAWUCDFTKBU-SNVBAGLBSA-N 228.675 2.291 0 40 BEAB CCOc1ccccc1C[C@H](OCC)C(=O)O 225105818 HKHKMVFPCPSPMO-LBPRGKRZSA-N 238.283 2.118 0 40 BEAB COc1ccc(CCC(=O)NC2CC2)cc1C 225614426 PQVJHYOCDQXLCT-UHFFFAOYSA-N 233.311 2.215 0 40 BEAB c1ccn(-c2ccc(CN3CCOCC3)cc2)c1 226275352 PZTGXPRIYWCQIX-UHFFFAOYSA-N 242.322 2.310 0 40 BEAB CC(=O)N1CCCC[C@@H]1CC[C@H]1CCCCN1 252497315 QDLPLRVGHSLZQZ-ZIAGYGMSSA-N 238.375 2.310 0 40 BEAB OC[C@@H]1CCCCC[C@H]1N[C@H]1CCCSC1 253370886 XONVDBHBIGNZGZ-RWMBFGLXSA-N 243.416 2.413 0 40 BEAB NC(=O)/C=C\c1cc(N)c(Cl)c(Cl)c1 361633802 WBXZEBOWCYXNHI-UPHRSURJSA-N 231.082 2.074 0 40 BEAB Cc1ncnc(N[C@@H]2[C@H]3CCC[C@H]32)c1C 882274943 HTLIWHYHRZUSDP-URLYPYJESA-N 203.289 2.304 0 40 BEAB Nc1nc(Br)ccc1OC(F)F 953061862 ASPFNHHSVRKTDB-UHFFFAOYSA-N 239.019 2.028 0 40 BEAB NC[C@H](O)c1ccc(-c2cccs2)o1 1775974513 ILCGALNDAPBEGL-ZETCQYMHSA-N 209.270 2.000 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 30041 NTRYENNTPSJJFH-SNVBAGLBSA-N 220.316 2.281 0 40 BEAB CC(C)Oc1ccc([C@H]2CNC(=O)C2)cc1 266573 IQRQFDBETFFVOE-LLVKDONJSA-N 219.284 2.077 0 40 BEAB Cc1cc(C)cc(COn2ccnc2)c1 1406290 XZOKMCRHCVZZRU-UHFFFAOYSA-N 202.257 2.129 0 40 BEAB CCCNC[C@H](O)CNc1ccc(Cl)cc1 1673172 CDHQJUOWVCOCSW-LBPRGKRZSA-N 242.750 2.112 0 40 BEAB COc1ccc(OCC(=O)OC(C)C)cc1 1677844 LYUXZNJHZBVHNO-UHFFFAOYSA-N 224.256 2.026 0 40 BEAB N[C@H](CCO)c1cccc2ccccc12 2530228 WMFVLYNMUQRXTB-CYBMUJFWSA-N 201.269 2.222 0 40 BEAB CCCC(=O)Nc1nnc(C(F)(F)F)s1 3016624 XBPFZMNPNRWKLV-UHFFFAOYSA-N 239.222 2.296 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccccc1 4019023 APOBYZSYMJNZIE-LFSVMHDDSA-N 241.290 2.222 0 40 BEAB Cc1ccc(C)c(NC2=NC(=O)CS2)c1 5375609 SNHJWLUUMIHIPC-UHFFFAOYSA-N 220.297 2.345 0 40 BEAB in-vitro CC(C)c1ccc(NC(=S)NCCO)cc1 5498942 AFNSTYCYSARPMO-UHFFFAOYSA-N 238.356 2.089 0 40 BEAB C[C@H](O)[C@@H](O)c1cccc(C(F)(F)F)c1 5735405 ISBSOFZWSJBJSW-IMTBSYHQSA-N 220.190 2.120 0 40 BEAB C[C@@H](NC(=O)C1CC1)c1ccc2c(c1)OCCO2 5748292 SBKUUNINEYBUAC-SECBINFHSA-N 247.294 2.045 0 40 BEAB Oc1cccc(-c2n[nH]c(-c3cccnc3)n2)c1 5996439 NKTJSTFFPPFRAW-UHFFFAOYSA-N 238.250 2.239 0 40 BEAB Nc1nnc(Cc2cccc3ccccc23)o1 8655124 MHVBKEOAWZXBES-UHFFFAOYSA-N 225.251 2.396 0 40 BEAB in-vitro CC(C)CC(=O)Nc1ccc(-n2cccn2)nc1 12545638 KISBQYGUSHYDDJ-UHFFFAOYSA-N 244.298 2.252 0 40 BEAB O=C(Nc1ccccc1F)n1ccnc1 16450402 WLUXKTFMIKBPPS-UHFFFAOYSA-N 205.192 2.102 0 40 BEAB CC1(C)C[C@H](NCc2cccnc2)CCO1 19701932 FZXRWWCKNPASAJ-GFCCVEGCSA-N 220.316 2.129 0 40 BEAB biogenic CC(C)[C@H](NCc1cccc(F)c1)C(=O)O 19787745 RFFIBTBBCUVPLB-NSHDSACASA-N 225.263 2.025 0 40 BEAB in-vitro O=Cc1ccc(N2CCCCC2=O)c(F)c1 20443215 CWWNMDUJOHHJQU-UHFFFAOYSA-N 221.231 2.155 0 40 BEAB C[C@H]1CCCCN1C(=O)c1cccc(N)c1 21967162 VLTMKYGJGNKTBG-JTQLQIEISA-N 218.300 2.283 0 40 BEAB CC(C)(C)OC(=O)C1CCC(C(=O)O)CC1 22113930 SVTFYLMWINQYFM-UHFFFAOYSA-N 228.288 2.219 0 40 BEAB Cc1c(Cl)cc(N)c(N2CCOCC2)c1C 22122015 AGMNNBZJXZLGFL-UHFFFAOYSA-N 240.734 2.376 0 40 BEAB N[C@@H](CN1CCCC1)c1ccc(F)c(F)c1 23066693 WANRPWULDRGKMW-LBPRGKRZSA-N 226.270 2.060 0 40 BEAB O=C(c1ccccc1)N1Cc2ccccc2CN1 32169821 YPZQYUWFUQZJLP-UHFFFAOYSA-N 238.290 2.347 0 40 BEAB COC(=O)c1ccc2c(c1)nc1n2CC[C@H](C)C1 32918729 BWCMLFDWTHYEGQ-VIFPVBQESA-N 244.294 2.405 0 40 BEAB C1CCN(CCC[C@@H]2CCCNC2)CC1 34284223 WWRFLCOUICZHAT-ZDUSSCGKSA-N 210.365 2.252 0 40 BEAB Nc1cccc(-c2noc([C@H]3CCCO3)n2)c1 35697277 ZTEWIHXFQMCXSD-SNVBAGLBSA-N 231.255 2.170 0 40 BEAB in-vitro Nc1cc(-c2ccc(C(=O)O)cc2)ccn1 36644177 XFMVNSCWFBXSHC-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB Cc1ccc(CN[C@H]2CCC[C@@H](O)C2)cc1 37164477 DTKGYLWDKYDYGZ-UONOGXRCSA-N 219.328 2.388 0 40 BEAB O=C(Nc1ncc(Br)s1)C1CC1 37387403 MXJKAJTZKDDREU-UHFFFAOYSA-N 247.117 2.254 0 40 BEAB C[C@@H](N)c1nc2cc(Cl)ccc2n1C 37440192 SSSJJDCWEDVSTP-ZCFIWIBFSA-N 209.680 2.246 0 40 BEAB CC(C)CNc1ccc(N)cc1C(=O)O 37930164 UVTREOOJILOLCX-UHFFFAOYSA-N 208.261 2.035 0 40 BEAB CCCNC(=O)NCCCc1ccccc1 38867651 TWVSTOOWAIEWFG-UHFFFAOYSA-N 220.316 2.328 0 40 BEAB CC(C)c1noc(CN2CCC[C@@H](C)C2)n1 40489558 YNLSRZIZWBKTCB-SNVBAGLBSA-N 223.320 2.425 0 40 BEAB COCc1cccc(CNC(=O)c2ccco2)c1 40535154 AARJKDKVCDGQCI-UHFFFAOYSA-N 245.278 2.356 0 40 BEAB Cc1ccc(CNC[C@@H]2CCCNC2)cc1 41231968 AVLMHCPWRDCAQY-CQSZACIVSA-N 218.344 2.084 0 40 BEAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)CO1 45784231 RIEDPMKETZGTPA-VXGBXAGGSA-N 205.301 2.296 0 40 BEAB C[C@@H]1CN(c2ncc(Cl)cc2Cl)CCN1 52783335 HQXVJMLVRKCXPJ-SSDOTTSWSA-N 246.141 2.187 0 40 BEAB CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 58342435 XYXPDHMUPJSMRW-ZJUUUORDSA-N 209.676 2.190 0 40 BEAB Cn1nc(C(F)(F)F)c2c(CO)csc21 64220292 QKIXRWCKBMBSDZ-UHFFFAOYSA-N 236.218 2.146 0 40 BEAB Cc1nc2ccccc2n1C[C@@H](O)C(F)(F)F 68877915 WIWPZUODOSEPJR-SNVBAGLBSA-N 244.216 2.268 0 40 BEAB Cc1ccc2[nH]c(-c3ccccn3)nc2n1 71257697 VKKQGCUBYOGPLE-UHFFFAOYSA-N 210.240 2.328 0 40 BEAB CCNc1ccc([C@H]2CCCN2C(C)=O)cn1 72213068 QDMZQOKCAQKVKU-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB CCNC(=O)N(C)[C@@H](c1cccnc1)C(C)C 78403015 LNLQAYXESCOTBZ-GFCCVEGCSA-N 235.331 2.440 0 40 BEAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCCCN1 80993363 UMZJJSKWQDMDCV-LBPRGKRZSA-N 236.290 2.296 0 40 BEAB CCOC(=O)c1n[nH]c2c(Cl)cccc12 82048619 BJNSONPSYHSXLQ-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB O=C(Nc1ccccc1F)c1cnco1 82324103 UMUKEEABDYORSK-UHFFFAOYSA-N 206.176 2.066 0 40 BEAB Nc1ccc2nc(-c3ccc(F)cc3)nn2c1 82749523 RCNXINLTYQPNHM-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB CC1(C)CCN(Cc2ccccc2)C[C@@H]1N 84231946 PJHDTNJPMKQDGF-ZDUSSCGKSA-N 218.344 2.246 0 40 BEAB O=C1N=Cc2cc(Br)cc(F)c21 85345423 CMJHJSMSGGQIDO-UHFFFAOYSA-N 228.020 2.161 0 40 BEAB C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3CCC[C@@H]32)O1 89922805 BJSUJGZXLNOMER-FVCCEPFGSA-N 237.343 2.345 0 40 BEAB Cc1cc(CN2CCC(CN)CC2)c(C)o1 90397575 SGDBYKQHXJZWTI-UHFFFAOYSA-N 222.332 2.067 0 40 BEAB CCSCCSCc1nc(C)no1 91617167 NBETVHZAJZTOPJ-UHFFFAOYSA-N 218.347 2.364 0 40 BEAB CC(C)N(CCS[C@H]1CCOC1=O)C(C)C 95446290 HUFMDFUSXYTUBB-NSHDSACASA-N 245.388 2.154 0 40 BEAB CC(C)NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 95452814 KZAXCDPWVPKTLY-LLVKDONJSA-N 236.319 2.055 0 40 BEAB CCNC(=S)N(Cc1ccccn1)C(C)C 95953168 LEGYMDBUDPHSQR-UHFFFAOYSA-N 237.372 2.186 0 40 BEAB CCOc1cccc(CS[C@@H](C)[C@H](C)O)n1 96501860 RTIVVQCNMHZMME-UWVGGRQHSA-N 241.356 2.483 0 40 BEAB c1cnc2c(c1)NCCCN2CC1CC1 96510698 NONAXTARPVKNAI-UHFFFAOYSA-N 203.289 2.114 0 40 BEAB O[C@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)n1 97104629 FTIWTPOIIIKYGM-YUMQZZPRSA-N 246.232 2.426 0 40 BEAB CC1([C@@H]2CCCN(C3CCCC3)C2)OCCO1 97106885 SSTJEBZBNGRORX-GFCCVEGCSA-N 239.359 2.404 0 40 BEAB C=COCCOC(=O)c1cc(F)cc(F)c1 97113113 OQAOCYAKOIIHTA-UHFFFAOYSA-N 228.194 2.282 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1ccc(Cl)o1 97376730 GRBPDVFQPKZVRE-ZCFIWIBFSA-N 246.646 2.041 0 40 BEAB C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccn1 102267413 RZMSCKRNXLDYMH-VOAKCMCISA-N 242.322 2.471 0 40 BEAB CNCC(=O)N(CC(C)C)C1CCCCC1 153471467 KGCLAZFXLLXESO-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB CC[C@@H]1N[C@@H]1CCOCc1ccccc1 169804289 XYJHFZOMTQYRAI-QWHCGFSZSA-N 205.301 2.344 0 40 BEAB CCCCN(CC)C(=O)Nc1cnns1 192370583 WDSNRYHNAZZCRT-UHFFFAOYSA-N 228.321 2.192 0 40 BEAB COc1ccc(SC2=NCCCN2)cc1 226820287 HNTBIJMRBJEBGE-UHFFFAOYSA-N 222.313 2.137 0 40 BEAB Cc1cc(O[C@@H]2CCCC[C@H]2N)ccn1 229586185 WZLZCENWBVMZGY-VXGBXAGGSA-N 206.289 2.039 0 40 BEAB O[C@@H]1CCCc2nc(C(F)(F)F)ccc21 252492429 MLZKXLIBRNBVJC-MRVPVSSYSA-N 217.190 2.470 0 40 BEAB CCCCNc1cnn(CC(F)F)c1 256053909 UDCJGLMKYDIXKJ-UHFFFAOYSA-N 203.236 2.360 0 40 BEAB COc1ccc(CNc2c(C)cnn2C)cc1 256054464 WJWYOWWJQPQBKZ-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CCOC(=O)[C@H]1CCN[C@H]1c1ccc(F)cc1 257197974 OVVYFUJXQSDWMI-RYUDHWBXSA-N 237.274 2.039 0 40 BEAB CC(C)[C@@H](C)N(C)c1nccn2cncc12 892010538 WDXOCOYENNTFLL-SNVBAGLBSA-N 218.304 2.210 0 40 BEAB CCS(=O)(=O)Nc1ccc(F)c(Cl)c1 482787 VVKGVXKRMFUWJN-UHFFFAOYSA-N 237.683 2.241 0 40 BEAB O=C(NC1CC1)c1ccc2ncsc2c1 3408460 KPTCXBSPXZGLFG-UHFFFAOYSA-N 218.281 2.189 0 40 BEAB CC(=O)O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C 8613683 CFWQOMWFLLALKD-SECBINFHSA-N 243.347 2.269 0 40 BEAB C[C@@H](N)c1csc(-c2ccccn2)n1 11568392 RXOODWNNEMUXJA-SSDOTTSWSA-N 205.286 2.225 0 40 BEAB c1cc2c(c(O[C@@H]3CCNC3)c1)CCCC2 14632075 ICODQZPMSXUHEZ-GFCCVEGCSA-N 217.312 2.306 0 40 BEAB COCCCNCCc1ccccc1C 19738587 RBNMMLNPZAGWQY-UHFFFAOYSA-N 207.317 2.164 0 40 BEAB CCN(CC)C[C@H](N)c1ccc(C)cc1 19821192 SNVZAIYZNMGLPC-ZDUSSCGKSA-N 206.333 2.337 0 40 BEAB C[C@@H]1C[C@@H](C)CN(c2ncccc2N)C1 20317211 CWNKGXSVOUKHTA-NXEZZACHSA-N 205.305 2.146 0 40 BEAB CCOc1ccccc1[C@@H]1C[C@@H]1C(=O)O 20392341 VZAUHNCDYIPCJR-UWVGGRQHSA-N 206.241 2.273 0 40 BEAB COCCCNC(=O)Nc1ccc(C)cc1F 40526218 KXWDMXSCLRQDMM-UHFFFAOYSA-N 240.278 2.292 0 40 BEAB COc1ccc(-c2ncccc2C(=O)O)cc1 41250969 ZCJJGJJNZDKBSF-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CC(C)[C@@H](C/C=C/Cl)C(=O)N(C)C 45331561 MFPMAEZQAUDONN-VPIOIWJLSA-N 203.713 2.489 0 40 BEAB CS[C@@H](C)C(=O)NC(=O)Nc1ccccc1 47895775 DZPKIGKPAISSRY-QMMMGPOBSA-N 238.312 2.086 0 40 BEAB O=C(Cc1c(F)cccc1Cl)NC1CC1 48089484 ZNWVVKSILXMZDF-UHFFFAOYSA-N 227.666 2.300 0 40 BEAB COCCCNC(=O)N[C@@H]1CCc2ccccc21 49265417 AIABKIGUUVWVHH-CYBMUJFWSA-N 248.326 2.010 0 40 BEAB CC[C@@H](C)C(=O)NCc1ccc(F)cc1 55276258 JHIXCTOJMBCALG-SECBINFHSA-N 209.264 2.488 0 40 BEAB O=C(CSc1ccc(F)cc1)NC1CC1 58080605 LMSUYWQXZQKLGM-UHFFFAOYSA-N 225.288 2.196 0 40 BEAB COC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 58365047 HXSDGXAMUPIVHZ-UHTWSYAYSA-N 233.311 2.146 0 40 BEAB COC(=O)c1c[nH]cc1-c1ccccc1O 59434141 AGYFTOYECSESFN-UHFFFAOYSA-N 217.224 2.174 0 40 BEAB NC[C@H](CO)Cc1ccc(Cl)cc1Cl 62711355 RMAMWSSMTRIQPG-SSDOTTSWSA-N 234.126 2.103 0 40 BEAB Fc1cccc2c1CCC1(CCNCC1)O2 66054845 SLDSHYGXFXXFPW-UHFFFAOYSA-N 221.275 2.273 0 40 BEAB CONC(=O)c1cc(C)c(OC(F)F)c(C)c1 69844857 PACIUXMTRMJSQG-UHFFFAOYSA-N 245.225 2.196 0 40 BEAB CCN(C)c1ncccc1C1=NCCC1 72212757 VVBOVPKRVKYDGO-UHFFFAOYSA-N 203.289 2.121 0 40 BEAB COc1ccc(CNC(=O)OC(C)(C)C)cn1 72225041 JUWZXSBQUADPFB-UHFFFAOYSA-N 238.287 2.115 0 40 BEAB C[C@@H](CC[S@](C)=O)NCc1ccc(F)cc1 75110421 UVLBVMLALWUWDL-MGPLVRAMSA-N 243.347 2.072 0 40 BEAB CCCN(CC(=O)O)c1ccc(F)cc1 76585296 QGIUDGISJDCTQZ-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB CC[C@H](C)CN(C)c1ccnc(N(C)C)n1 77219676 KICZLQXVQSRTAR-JTQLQIEISA-N 222.336 2.025 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 78351549 KKEVWNXYQYANJX-JGVFFNPUSA-N 229.201 2.294 0 40 BEAB O=C(/C=C/c1ccc(F)cc1)O[C@H]1CCOC1 78612264 NIWVXTOQKJEUMV-UXONFWTHSA-N 236.242 2.171 0 40 BEAB CC(C)(C)CNC(=O)Cc1cccs1 82283198 TXCGBVFJOVRNGJ-UHFFFAOYSA-N 211.330 2.453 0 40 BEAB Fc1ccc2nc(-c3ccon3)[nH]c2c1 82821796 IVNLEWGHTODPEL-UHFFFAOYSA-N 203.176 2.357 0 40 BEAB Cc1ccc(-c2nc(C(=O)O)cs2)n1C 84191295 OMVBWGOVOFYKNC-UHFFFAOYSA-N 222.269 2.155 0 40 BEAB in-vitro Nc1nn(-c2ccc(F)cc2)nc1C(F)(F)F 89262565 WWNGIJOTMXGVAZ-UHFFFAOYSA-N 246.167 2.007 0 40 BEAB CC1(C)CCN1C(=O)c1cccc2c1OCCO2 89919483 HVTCBAGRYQZDPX-UHFFFAOYSA-N 247.294 2.082 0 40 BEAB CC(C)c1nccc(NCCCn2ccnc2)n1 91424862 DOLWBQMYFXYWJW-UHFFFAOYSA-N 245.330 2.299 0 40 BEAB CC(C)(C)CNC(=O)CC[C@@H]1CCCOC1 95963431 UETSHTRXWPBBDU-NSHDSACASA-N 227.348 2.356 0 40 BEAB Cc1cn(-c2c(F)cccc2F)nc1C(=O)O 96034604 BBFINTHADPSYBZ-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB CCC(CC)CN1CC[C@H]2CC[C@@H](C1)N2 96058563 QPIGDWOZNNWOQA-OLZOCXBDSA-N 210.365 2.249 0 40 BEAB O=C(C1CCCCCC1)N1CCSC1 96405889 RRSCNNFITACCPP-UHFFFAOYSA-N 213.346 2.490 0 40 BEAB CSCC[C@@H](N)CN(C)C1CCCCC1 96523858 KDYCGPHBOVVHAU-LLVKDONJSA-N 230.421 2.331 0 40 BEAB Nc1cc(F)ccc1-c1nc(-c2ccoc2)n[nH]1 97105495 VPTRHFWNQXTFJD-UHFFFAOYSA-N 244.229 2.453 0 40 BEAB COCC[C@H](C)Nc1c[nH]nc1-c1ccccn1 187505157 AQZMWLNNNQLZAK-JTQLQIEISA-N 246.314 2.309 0 40 BEAB COc1cccc2c(OCC(=O)O)cc(C)nc12 196304260 XQVDWHZPGSEHDU-UHFFFAOYSA-N 247.250 2.015 0 40 BEAB CN(C)C(=N)SCC(=O)c1ccccc1 238295880 KDOPQLQDURBZIQ-UHFFFAOYSA-N 222.313 2.099 0 40 BEAB C[C@H](O)[C@H]1C[C@H]1c1ccc2c(c1)CCO2 242614890 PLBQRFXDNOQHNE-AXTRIDKLSA-N 204.269 2.106 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21 245224137 RSVDRWTUCMTKBV-XGFWRYKXSA-N 248.322 2.333 0 40 BEAB OCc1ccc(OCC(F)(F)F)cc1F 404115929 LGXODJVVEFZWMR-UHFFFAOYSA-N 224.153 2.259 0 40 BEAB CC(C)CCOC(=O)[C@@H]1CCCC[C@@H]1O 506682 NEGXKXUAVASAAB-MNOVXSKESA-N 214.305 2.127 0 40 BEAB CCOC(=O)C[C@@H]1C[C@H](C(=O)OCC)C1(C)C 1627030 FJYUJCOPVWAEOU-VHSXEESVSA-N 242.315 2.165 0 40 BEAB CCC(=O)OCCCCCOC(=O)CC 1685566 GYZVZBFSJCVIDL-UHFFFAOYSA-N 216.277 2.063 0 40 BEAB Clc1ccc2nnc(Cc3ccccc3)n2n1 2702322 TURKZWDFAPMZAE-UHFFFAOYSA-N 244.685 2.369 0 40 BEAB C[C@@H]1SC(=O)NN=C1c1ccccc1 5573333 BVLKFTPVGIXQDN-ZETCQYMHSA-N 206.270 2.236 0 40 BEAB O=C(Nc1cccc2ccccc12)c1nc[nH]n1 5605018 UKIDZQRONWMWCG-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCc1nccn1C(=O)c1ccc(C)cc1 6160405 VCLBRWMBFIXMDL-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB O=Cc1cn(CC(F)(F)F)nc1C1CC1 12395190 HBCRWDPMJZBYPQ-UHFFFAOYSA-N 218.178 2.135 0 40 BEAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccn1 12539689 LZUISMOFPUQCMO-NSHDSACASA-N 246.310 2.063 0 40 BEAB O=C(O)CNCc1ccc(Cl)cc1Cl 19787687 NMMRCGLFNFEBJC-UHFFFAOYSA-N 234.082 2.168 0 40 BEAB Cc1ccc(-n2cccc2)c(C(=O)O)c1 19807117 PMZGNXKGGKAPIC-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB in-vitro O=C(O)c1cccc2c3c([nH]c12)CCC3 20281742 KUCYGAINBAZNHN-UHFFFAOYSA-N 201.225 2.355 0 40 BEAB CCOC(=O)CC(=O)c1c(F)cccc1F 20475432 GLRNJDWFZNOBHC-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB in-vitro CC(C)c1ccc(NC(=N)NC#N)cc1 24792370 VQOFMNJCPYPURE-UHFFFAOYSA-N 202.261 2.227 0 40 BEAB Cc1ccc(N2CCn3c2n[nH]c3=S)cc1 26421935 PAKVPMNPRDMXSE-UHFFFAOYSA-N 232.312 2.401 0 40 BEAB C[C@H]1CO[C@H](C)CN1c1ncnc2ccccc12 32803914 AWSDCGJYXVSDQE-WDEREUQCSA-N 243.310 2.243 0 40 BEAB CCCCOc1ccc(OCC(=O)O)cc1 33506409 CKROMSAARMUYAQ-UHFFFAOYSA-N 224.256 2.329 0 40 BEAB in-vitro COc1ccc(N)c(C(=O)C(F)(F)F)c1 34583732 JBFAEZUOEIPYMP-UHFFFAOYSA-N 219.162 2.022 0 40 BEAB CCCCN(CCCC)C[C@H](O)CNC1CC1 36950610 IGUARSSBUVHWKR-CQSZACIVSA-N 242.407 2.002 0 40 BEAB C[C@H](N)[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362455 ATVUCOFCESBIAI-XXILOJSOSA-N 203.285 2.072 0 40 BEAB NC1CCN(Cc2cccc(Cl)c2F)CC1 38539585 HROXXKVMXIDTHF-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB CC[C@H](C)n1nc(-c2ccco2)ccc1=O 38790731 ITMPFQOTJJZQMK-VIFPVBQESA-N 218.256 2.474 0 40 BEAB CC1CCN(c2cc(Cl)ncn2)CC1 40422401 VJNBAZDFCAAZRV-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCCC[C@@H]1C 40521065 PLLGXJQJNLAPSY-RYUDHWBXSA-N 227.348 2.449 0 40 BEAB Cc1ncsc1C(=O)N1CCC[C@H](C)C1 40529068 GUARDLCYGJCUSF-QMMMGPOBSA-N 224.329 2.324 0 40 BEAB C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1 40539461 LDYXEQLMMZDMQB-VXGBXAGGSA-N 219.328 2.420 0 40 BEAB CC(C)(C)OC(=O)NC1(C(=N)N)CCCCC1 42457964 DAVSRQLNFNIGAO-UHFFFAOYSA-N 241.335 2.150 0 40 BEAB Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)s1 45445918 SPAMNDUEOYVIAW-IUCAKERBSA-N 239.340 2.306 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1 47843748 RYAKMQPZBGISAT-MNOVXSKESA-N 240.347 2.138 0 40 BEAB in-vitro COC(=O)[C@H]1CCCCN1CCc1ccccc1 48232251 QYYRTPZVRWROOC-CQSZACIVSA-N 247.338 2.257 0 40 BEAB Cc1ccccc1C(=O)N1CCSCC1 49213107 PATHHROZTUVVHB-UHFFFAOYSA-N 221.325 2.184 0 40 BEAB COc1ccc(OC)c([C@@H](O)c2ccccn2)c1 55234574 OXOHDWSQPZCSKV-CQSZACIVSA-N 245.278 2.181 0 40 BEAB COC[C@H](C)NC(=O)Nc1ccccc1Cl 58247427 YEDHCKIBGXOUQW-QMMMGPOBSA-N 242.706 2.496 0 40 BEAB Cc1ccnc(NCc2cnc(C)s2)n1 61859187 KSALUSIPCWLUHA-UHFFFAOYSA-N 220.301 2.162 0 40 BEAB FC(F)(F)c1cnc([C@@H]2CCCCN2)nc1 62720797 HWDJJSOGJHVGKB-QMMMGPOBSA-N 231.221 2.310 0 40 BEAB COC[C@H](N)c1ccc(Br)cc1 71534511 AOPHCXXWOIWZSC-VIFPVBQESA-N 230.105 2.095 0 40 BEAB CCCCN(C)C(=O)Cc1ccccc1O 72063737 BUKHBTGWEIMSRN-UHFFFAOYSA-N 221.300 2.193 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC1CC1 72194526 SQRRQAVVRXZUMD-LLVKDONJSA-N 240.347 2.138 0 40 BEAB in-vitro Cc1cnc(CN2CCC[C@@H](c3ccn[nH]3)C2)o1 72299800 WNRGMAOMXPTFAI-LLVKDONJSA-N 246.314 2.086 0 40 BEAB COCc1cccc(C(=O)O[C@H](C)COC)c1 73835232 RCFJMCQZUICAJH-SNVBAGLBSA-N 238.283 2.025 0 40 BEAB Cc1ccc2cc(F)cc(C(=O)O)c2n1 82769956 GNLAJVSAXUGDHM-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB CCC1(CNCc2ncc[nH]2)CCCC1 89948192 GITOKCHQWNZVHM-UHFFFAOYSA-N 207.321 2.470 0 40 BEAB CCOc1cc2c(cc1C(=O)O)CCC2 95470839 RZBVEVOHPGNTAG-UHFFFAOYSA-N 206.241 2.272 0 40 BEAB C=CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=C[C@H](C3)[C@H]12 95890342 VTUJVKUOIFFTME-KSLZLVKMSA-N 204.269 2.316 0 40 BEAB CCOCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 96423520 PVMMYHAUPJJPDX-STQMWFEESA-N 239.359 2.498 0 40 BEAB c1ccc(N(CCn2cncn2)CC2CC2)cc1 96460153 QRXVDCQSNJXLDG-UHFFFAOYSA-N 242.326 2.195 0 40 BEAB CC(=O)c1c(C)c(C(=O)O)n(CC2CC2)c1C 96516045 DDRYEJNJKLKZMU-UHFFFAOYSA-N 235.283 2.416 0 40 BEAB COc1ccccc1CCCN1CCC[C@@H](N)C1 96523532 BNYALFWKUZBGAV-CQSZACIVSA-N 248.370 2.051 0 40 BEAB CCN(CC)CCN[C@@H]1CCCC[C@@H]1C 97050795 JCWCSKATCIVJMM-QWHCGFSZSA-N 212.381 2.497 0 40 BEAB CCOCC(=O)OC1CCCCCC1 97160392 HDWRWTLITDMDHZ-UHFFFAOYSA-N 200.278 2.289 0 40 BEAB O=C(NCc1ccco1)C1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 100077566 DOHVNPVMJWEUJI-LSKIRQOJSA-N 231.295 2.188 0 40 BEAB Cc1ccc(C(=O)O)n1-c1ccccc1 108270773 PIMUCQSXOMYATE-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB COC(=O)C[C@@]12CC[C@@](C)([C@H](O)C1)C2(C)C 109275223 QSMUFBCONLGVEU-JIMOISOXSA-N 226.316 2.127 0 40 BEAB Cn1c(SCC2CC2)nc2ccccc2c1=O 122834129 HIHAGCUPHSLVEX-UHFFFAOYSA-N 246.335 2.436 0 40 BEAB N[C@@H]1CCCC[C@H]1Oc1ccc(Cl)cn1 131703091 LDURCNLZIWEBPS-NXEZZACHSA-N 226.707 2.384 0 40 BEAB Cc1cc(F)ccc1OC(=O)c1cnn(C)c1 165188162 WVOYARXQPFVUKB-UHFFFAOYSA-N 234.230 2.087 0 40 BEAB CCN(C)C(=O)[C@@H](C)NC[C@H](C)c1ccccc1 188492567 FBTPPHFJGRWIMV-QWHCGFSZSA-N 248.370 2.247 0 40 BEAB COc1cc(Br)c(C)cn1 200522233 SACMFJALIRLQLS-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB O=C(Nc1cnns1)C1CCCCC1 225495583 MVAGJEWQPQFTOH-UHFFFAOYSA-N 211.290 2.057 0 40 BEAB Nc1cc(C(F)(F)F)cc([N+](=O)[O-])c1F 396123513 ZQTSUDCQRWWALH-UHFFFAOYSA-N 224.113 2.335 0 40 BEAB Cc1cc(OC2COC2)nc2ccccc12 585652953 ZRJQAYYSPZGCFS-UHFFFAOYSA-N 215.252 2.321 0 40 BEAB CCN1N=C(c2ccccc2)CCC1=O 327579 QIUATXGHXBDLCK-UHFFFAOYSA-N 202.257 2.033 0 40 BEAB CC(C)C[C@@H](N)C(=O)N1CCCc2ccccc21 19433941 KRJFWLJBSJDRKC-CYBMUJFWSA-N 246.354 2.339 0 40 BEAB CCOC(=O)CCSC(C)(C)C(=O)OCC 1729228 ICMPYCQQYXVFHF-UHFFFAOYSA-N 248.344 2.015 0 40 BEAB O=C(OC[C@@H]1CCCO1)C(Cl)(Cl)Cl 2044506 KRASDIKFKQEXPK-YFKPBYRVSA-N 247.505 2.079 0 40 BEAB COc1cccc2c3c(c(=O)[nH]c12)CC(C)(C)O3 345713 PCTYLCGKTDPOLJ-UHFFFAOYSA-N 245.278 2.250 0 40 BEAB N=C(N)SCCCOc1ccccc1 3634850 WYUYEHUKTWIGQA-UHFFFAOYSA-N 210.302 2.082 0 40 BEAB CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 41172150 BOKMRUDUFAXMOI-GFCCVEGCSA-N 237.274 2.136 0 40 BEAB Cc1nnnn1Cc1c(Cl)cccc1Cl 59488313 ZCGAKDVSTBOIIH-UHFFFAOYSA-N 243.097 2.337 0 40 BEAB CCN(C)c1ccc(Br)cn1 42376828 SCGQKVZZOLPQBR-UHFFFAOYSA-N 215.094 2.300 0 40 BEAB in-vitro Cc1ccc(F)c(NC(=O)C2CCOCC2)c1 24637168 DMVAFNHEKACPLT-UHFFFAOYSA-N 237.274 2.499 0 40 BEAB C[C@H]1CN(C(=O)c2ccccc2F)C[C@@H](C)O1 12410436 WIRZYKIFMJGHTQ-AOOOYVTPSA-N 237.274 2.075 0 40 BEAB O=c1sc2c(s1)SCOCS2 2271107 LDZFSKYPSHWMBE-UHFFFAOYSA-N 224.353 2.299 0 40 BEAB O=C(O)/C=C/c1c(Cl)nc2sccn12 3319136 ZBYRHXXVGNUDRH-OWOJBTEDSA-N 228.660 2.147 0 40 BEAB in-vitro Cc1cccnc1NC(=S)NC(C)C 5638185 ZMCOETGFEQJDJB-UHFFFAOYSA-N 209.318 2.085 0 40 BEAB N[C@@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 66444948 CIXHTAFKIGIRDM-APPZFPTMSA-N 217.190 2.400 0 40 BEAB CCc1noc(-c2ccc(C)c(N)c2)n1 19233389 KFSGAUZHNXGSAP-UHFFFAOYSA-N 203.245 2.190 0 40 BEAB in-vitro O=C(Oc1ccc2nccnc2c1)c1ccco1 89863589 CYAJJYCOXFUQPI-UHFFFAOYSA-N 240.218 2.442 0 40 BEAB O=C1CCN(c2c(F)cccc2F)CC1 20476391 VNKNABVNGYMUOI-UHFFFAOYSA-N 211.211 2.134 0 40 BEAB Cc1ccc(C(=O)Nc2nc(C)ns2)cc1 27664474 RKQJRPNGFWSUSK-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C1CCC([C@H]2CN3CCC[C@H]3CN2)CC1 72233328 FEZJHFGBVBPDDS-QWHCGFSZSA-N 208.349 2.003 0 40 BEAB CON(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 97402925 ITNPKUYNWKBAAX-YUMQZZPRSA-N 239.237 2.375 0 40 BEAB CC[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 69271703 BRZIDNQMHUVUAM-STQMWFEESA-N 233.311 2.229 0 40 BEAB CCCOc1cccc(-c2nnc(N)o2)c1 61667501 NYRGWOCAHNJOAP-UHFFFAOYSA-N 219.244 2.108 0 40 BEAB CC(C)Cn1ccc(=O)c2cccc(N)c21 72221080 PWAMPCBSXKVRHJ-UHFFFAOYSA-N 216.284 2.240 0 40 BEAB CC(C)(C)[C@@H](NC(=O)OC1CCCC1)C(=O)O 32098663 VKOXJCPQUQBCAJ-VIFPVBQESA-N 243.303 2.155 0 40 BEAB C[C@H]1CCN(C(=O)[C@H](N)c2ccccc2)C[C@@H]1C 129766877 QNBVJVUNGNGMDR-SGMGOOAPSA-N 246.354 2.191 0 40 BEAB CCCO[C@H](C)c1ccc([C@H](N)CO)cc1 72220200 DFXQALFMJDURLV-ZWNOBZJWSA-N 223.316 2.166 0 40 BEAB CN1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 72366079 HDRXIWREZUUSFF-NSHDSACASA-N 244.260 2.282 0 40 BEAB CC(=O)n1cc(C=O)c2cc(F)ccc21 75605422 LOUBOMJUXPXFFA-UHFFFAOYSA-N 205.188 2.253 0 40 BEAB O=C(O)c1ccc(C(=O)C2CCCCC2)[nH]1 139343569 WRNVDHVFJJLSGH-UHFFFAOYSA-N 221.256 2.476 0 40 BEAB CCO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 82610342 WLOOSHLBMGEMMC-JTQLQIEISA-N 229.320 2.422 0 40 BEAB CC1CCC(N(C)C(=O)CC(C)(C)N)CC1 82772022 LQMOYWLGPUXFRQ-UHFFFAOYSA-N 226.364 2.151 0 40 BEAB NCc1cccnc1-c1ccc(F)cc1 82639068 XHTMCIPXJSFGCP-UHFFFAOYSA-N 202.232 2.346 0 40 BEAB CC(C)(C)OC(=O)NCc1cnc(Cl)cn1 95936263 FXTHKNGERJHEQO-UHFFFAOYSA-N 243.694 2.155 0 40 BEAB NC[C@@H]1CCCCN1CCc1cccc(F)c1 96523595 TWHDMAONWCCENB-AWEZNQCLSA-N 236.334 2.181 0 40 BEAB COCCN(CC(C)C)c1ncc(Cl)cn1 96483172 MNHQGWBSUYAQIU-UHFFFAOYSA-N 243.738 2.239 0 40 BEAB Cn1cc(Br)c2ncnc(Cl)c21 95743207 HCTVKWPEVANMLG-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CCOC(=O)c1n[nH]c2cc(C)ccc12 89196040 JZBHWTQRRAEFIY-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB in-vitro FC(F)(F)N(C[C@@H]1CCCN1)C(F)(F)F 96308526 LVSGNRPSBHOVPI-YFKPBYRVSA-N 236.159 2.080 0 40 BEAB O=[S@@](CCO)[C@H]1CCc2c(Cl)cccc21 97046689 NKWTVLVMSIYANC-XHDPSFHLSA-N 244.743 2.068 0 40 BEAB CC(C)=CCN1CCC[C@@H]1Cn1nc(C)nc1C 69740984 AUWQCRPGELLNRC-CQSZACIVSA-N 248.374 2.326 0 40 BEAB c1ccc2c(c1)CCN2Cc1cocn1 191952217 DAHMLKVEAIAHES-UHFFFAOYSA-N 200.241 2.237 0 40 BEAB CCCCn1c(CNC(C)=O)nc2ccccc21 2721254 YKEJLCWOUPKGPY-UHFFFAOYSA-N 245.326 2.473 0 40 BEAB O=C(NC1CC1)N1CCC[C@@H]1C1CCC1 102901537 HMRVCNTWLAUVID-LLVKDONJSA-N 208.305 2.123 0 40 BEAB O=C(C[C@@H]1CCCCC1=O)c1ccncc1 1908512014 OOVYJLRQANCVFJ-NSHDSACASA-N 217.268 2.414 0 40 BEAB O=Cc1c[nH]c2cnc(Br)cc12 107041901 ZLRGOAPMOUARSO-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro CC[C@H](C)NC(=S)Nc1ncccc1C 225274102 QABYOVRSGJVMPC-VIFPVBQESA-N 223.345 2.475 0 40 BEAB O=C(O)c1cc(=O)c2[nH]c3ccccc3c2s1 31518213 LFVBYHSVMFAAIY-UHFFFAOYSA-N 245.259 2.441 0 40 BEAB N[C@@]12C[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 247692729 XHWADQIBDOKNPJ-JOYOIKCWSA-N 240.709 2.012 0 40 BEAB CC[C@@H](C)NC[C@@H](O)COc1ccccc1C 16758630 ILLZYUQZSHRPQG-CHWSQXEVSA-N 237.343 2.123 0 40 BEAB C[C@H](NN)c1cc(F)c(Cl)cc1F 161799922 GPLFAOOHQUNTNT-BYPYZUCNSA-N 206.623 2.143 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CNCCC[S@](C)=O 152586090 HWQPBNPAKZEJAL-DVOMOZLQSA-N 243.416 2.337 0 40 BEAB CN1CCC[C@H](CN(C)c2ccccc2)C1 408729189 BDFAQKYUIBPFQG-ZDUSSCGKSA-N 218.344 2.465 0 40 BEAB Cc1cccnc1O[C@@H]1CCC[C@H]1N(C)C 585655171 VXTJIUDNLSUORL-VXGBXAGGSA-N 220.316 2.252 0 40 BEAB O=C(CNCC1CC1)Nc1cccc(Cl)c1 20037585 AQKGJLYYOOAYPG-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB C[C@H]1S[C@H](c2ccc(F)cc2)NC1=O 128945 GIWCGQHJMAJOSI-LHLIQPBNSA-N 211.261 2.076 0 40 BEAB CO[C@@]1(c2ccccc2)C[C@]12C[C@]2(C)C(=O)O 4025344 NEWSMEZTKJNJKD-HZSPNIEDSA-N 232.279 2.413 0 40 BEAB biogenic Cc1nn(-c2ccccc2)c(S)c1C=O 6824893 OUFFSRVHSFYNQO-UHFFFAOYSA-N 218.281 2.282 0 40 BEAB Cn1cc(C(=O)NCc2ccccc2Cl)cn1 8076915 KVBDPZTZDOGLET-UHFFFAOYSA-N 249.701 2.004 0 40 BEAB CCc1c(C(=O)O)nnn1-c1ccc(C)c(C)c1 11759436 MTDHWWUYHQGUPL-UHFFFAOYSA-N 245.282 2.145 0 40 BEAB O=C1OCC[C@@H]1N1CC=C(c2ccccc2)CC1 12915325 KCZPRPKQXPDCFQ-AWEZNQCLSA-N 243.306 2.091 0 40 BEAB C[C@H](C(=O)N1CCc2ccccc21)n1cccn1 12917572 ISHYLCOUJUSFIB-LLVKDONJSA-N 241.294 2.033 0 40 BEAB O=C(Cn1cccn1)Nc1ccc(Cl)cc1 12986027 VTLQELQRUXVERD-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Cc1nc(C(=O)N(C)Cc2ccccc2)co1 22538285 DJSYISCANKJKCW-UHFFFAOYSA-N 230.267 2.255 0 40 BEAB CCOc1ccccc1O[C@@H]1CCC[C@H]1N 22563255 OBVRFUXKSGFHQB-GHMZBOCLSA-N 221.300 2.344 0 40 BEAB in-vitro CC(C)CC(=O)Oc1cccc(C=O)c1 31975769 ZCXGTYGUJAZPRN-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB CCOc1cccc([C@H]2C[C@@H]2C(=O)O)c1 32010611 IZKXGKMFQATOME-MNOVXSKESA-N 206.241 2.273 0 40 BEAB O=C(O)[C@H](c1ccccn1)c1ccccc1F 32015992 CTVHHMUZSVAEIN-LBPRGKRZSA-N 231.226 2.437 0 40 BEAB Oc1ncnc2c(-c3ccccc3)nsc12 32951462 PYERYCKBJGGKEV-UHFFFAOYSA-N 229.264 2.459 0 40 BEAB in-vitro O=C(O)CN(Cc1ccccc1Cl)C1CC1 33468812 WVRGKTNDJXLLQV-UHFFFAOYSA-N 239.702 2.389 0 40 BEAB Cc1ccc(-c2ncc(C(=O)O)cn2)cc1C 36720875 LVMSXSLAXTWCOP-UHFFFAOYSA-N 228.251 2.459 0 40 BEAB CCOC(=O)CCNCc1ccc(C)cc1 36984791 MLHHWTOXCOIUAX-UHFFFAOYSA-N 221.300 2.038 0 40 BEAB CN(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 42417640 RXKVDCNQFKONLD-UHFFFAOYSA-N 242.662 2.132 0 40 BEAB COCC(=O)N[C@@H](c1ccccc1)C(C)C 42688795 OERCAHLTVMGVMC-CYBMUJFWSA-N 221.300 2.146 0 40 BEAB Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)O 49354073 RGMGHSPKOOBDDI-UWVGGRQHSA-N 207.273 2.119 0 40 BEAB CCCNC(=O)Nc1cccc(COC)c1 58059034 BWKHPYQOJRKDIB-UHFFFAOYSA-N 222.288 2.365 0 40 BEAB COC(=O)c1c(C(F)(F)F)ccc(F)c1N 62812287 DXHITSHQZPQCSO-UHFFFAOYSA-N 237.152 2.213 0 40 BEAB CCOC(=O)c1cn[nH]c1COc1ccccc1 71980854 RMHJNAVDDRHASK-UHFFFAOYSA-N 246.266 2.165 0 40 BEAB CCOC(=O)c1ccc(F)c(OCC)c1 72233341 BQQNRWLCNYMJIT-UHFFFAOYSA-N 212.220 2.401 0 40 BEAB CC1(c2cc[nH]n2)CCN(c2ccncc2)CC1 72381380 ASRYSGPQKGQTRS-UHFFFAOYSA-N 242.326 2.363 0 40 BEAB COC(=O)Nc1ccc2c(C)cc(=O)oc2c1 74859067 JIOMFGXJXANDTA-UHFFFAOYSA-N 233.223 2.280 0 40 BEAB CCCNC(=O)NCc1ccc(OCC)cc1 74978562 YFLHBQYSHWVESK-UHFFFAOYSA-N 236.315 2.295 0 40 BEAB CC1(NC(=O)c2ccc(-n3cccn3)cc2)CC1 76017175 CUOJDFMDPMNGDX-UHFFFAOYSA-N 241.294 2.155 0 40 BEAB CCN(CC(=O)O)c1c(C)cccc1C 76583978 LTGHYTYHVAJFBO-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB Cc1ccc(OCc2cnc(C)cn2)nc1 78953758 XECWIWPZUCNEOC-UHFFFAOYSA-N 215.256 2.067 0 40 BEAB c1ccc2c(NC3CCNCC3)nsc2c1 79440593 RBFMWQURCFTJKH-UHFFFAOYSA-N 233.340 2.460 0 40 BEAB CC[C@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C 84721277 GDODYPIUPOBQBO-WDEREUQCSA-N 243.347 2.127 0 40 BEAB Nc1cnn(CC(F)(F)C(F)(F)C(F)F)c1 95094075 WQQXAIKCFHEYOZ-UHFFFAOYSA-N 247.142 2.001 0 40 BEAB COC1CC(C(=O)O)(c2ccc(C)cc2)C1 96509100 IWYRENNVGIMNOV-UHFFFAOYSA-N 220.268 2.126 0 40 BEAB c1ccc(OCCCSc2cn[nH]n2)cc1 97012167 VBYNPDZMMBHHOS-UHFFFAOYSA-N 235.312 2.366 0 40 BEAB COC(=O)c1cc(N[C@@H]2CCOC2)cc(C)c1C 97084887 GNXRRYWFYZDSIX-LLVKDONJSA-N 249.310 2.291 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1 103611683 KAAUCJZOUPNSRN-DBRKOABJSA-N 205.179 2.350 0 40 BEAB O=C1CC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3C=C[C@@H]4CC3)[C@@H]12 104292288 MWAKZAVUDIMQLS-LHTKUQIJSA-N 240.302 2.303 0 40 BEAB O=C1CC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3C=C[C@@H]4CC3)[C@@H]12 104292294 MWAKZAVUDIMQLS-SHFMGBIPSA-N 240.302 2.303 0 40 BEAB c1ccc2cc(Cn3ccnn3)ccc2c1 128065247 QXIXEGWHVPJFFI-UHFFFAOYSA-N 209.252 2.480 0 40 BEAB c1cn(Cc2csc(C3CCCC3)n2)nn1 128081654 FUJMDRLSIDFHLB-UHFFFAOYSA-N 234.328 2.441 0 40 BEAB C[C@H](O)CN[C@H](C)C(C)(C)c1ccc(F)cc1 184828969 AHIOWPRZCABDKA-WDEREUQCSA-N 239.334 2.462 0 40 BEAB CC(C)(C)C(=O)NCCCc1ccco1 224734931 CGJAHWWSQOIEOU-UHFFFAOYSA-N 209.289 2.375 0 40 BEAB C[C@@H]1C[C@@H]2[C@@H](CO)C[C@H](C(F)(F)F)C[C@H]2O1 225761360 ABUHJJZZXMNMQT-HOTMZDKISA-N 238.249 2.361 0 40 BEAB COC(=O)C(=O)c1cccc(Cl)c1Cl 306516875 ZLHFNBLIZODBAZ-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB O=Cc1sc(Br)nc1Cl 536948635 BFBUJEAWHKPSRJ-UHFFFAOYSA-N 226.482 2.372 0 40 BEAB in-vitro Fc1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1 2523088 AUWAJKSIVFUQBM-UHFFFAOYSA-N 232.140 2.025 0 40 BEAB O=C(Nc1ccccc1)Nc1nncs1 330148 GFFHLIHHQYTOFL-UHFFFAOYSA-N 220.257 2.182 0 40 BEAB COc1cccc(C(=O)Nc2ccncc2)c1 327312 WRSDCKISYVXLFH-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CC(=O)CCN1[C@@H](c2ccccc2)[C@H]1C 4775895 WBNBQIWRPXNAJC-AYBZEELNSA-N 203.285 2.411 0 40 BEAB Nc1ccc(-c2nc3ncccc3[nH]2)cc1 11919562 NQZRUPQLXOGNTL-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB CC[C@@H](NCc1nnc2ccccn12)C(C)C 37235839 LISPSSXCEKJFOX-LLVKDONJSA-N 232.331 2.254 0 40 BEAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccccc1 46995401 BWJYDXNPFYSPMR-UONOGXRCSA-N 244.338 2.043 0 40 BEAB Cc1cccc(C(=O)O[C@H]2CCCN(C)C2)c1 535707 YARMLGABVFENDX-ZDUSSCGKSA-N 233.311 2.246 0 40 BEAB Cc1ccc(NC2=NC(=O)CS2)c(C)c1 12341768 LHBYTRMOVMPLOT-UHFFFAOYSA-N 220.297 2.345 0 40 BEAB in-vitro Fc1cc(F)cc(NCc2ncccn2)c1 54459017 ZTJXLPLKCMAFEW-UHFFFAOYSA-N 221.210 2.367 0 40 BEAB NC(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 23623326 WAHKAYSBXRAGRE-JTQLQIEISA-N 244.294 2.080 0 40 BEAB COC(=O)CN1CCC[C@H]1c1cccc(OC)c1 54992645 ZZERTFOAAKLPRA-ZDUSSCGKSA-N 249.310 2.005 0 40 BEAB N=C(N)COc1ccc(Cl)c2cccnc12 55364103 XDSQTFSFVVJRMK-UHFFFAOYSA-N 235.674 2.203 0 40 BEAB O=C(O)c1ccc(OCC[C@@H]2CCCCN2)cc1 57837395 OVESMCXUNWFSGO-LBPRGKRZSA-N 249.310 2.296 0 40 BEAB C[C@H]1CN(Cc2cccc3cccnc23)CCO1 36391842 DHDTZALRTNOJTO-LBPRGKRZSA-N 242.322 2.456 0 40 BEAB Cc1cccnc1NC(=O)c1ccncc1 13235487 XMDGBUDTMNBUHC-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CC(C)C(=O)N[C@@H]1CCOc2ccccc21 7214558 UATCJXIKSGNDLU-LLVKDONJSA-N 219.284 2.282 0 40 BEAB COc1ccc2c(c1)CC[C@]2(O)C(F)(F)F 60041893 ITSJGTVWYFIFMW-SNVBAGLBSA-N 232.201 2.391 0 40 BEAB c1ccc2c(c1)CCCN2C[C@H]1CCCNC1 19425061 KMRRDHQQNLECAO-ZDUSSCGKSA-N 230.355 2.439 0 40 BEAB Cc1nnc(NC(=O)Cc2ccccc2)s1 9348661 GQKKXRKNUNAOPG-UHFFFAOYSA-N 233.296 2.028 0 40 BEAB O=C(O)c1ccnc(OCc2ccccc2)c1 19812890 JIVIAPHYBVSLIP-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro C[C@@H](O)CCN(C)c1ncccc1C(F)(F)F 84637241 PSVBGICKCXNTAF-MRVPVSSYSA-N 248.248 2.308 0 40 BEAB CC[C@@](C)(NCCCc1ccccc1C)C(N)=O 95415772 IROCQIHLTPYXGM-OAHLLOKOSA-N 248.370 2.171 0 40 BEAB CCN(CCC(=N)N)c1cccc(C)c1 26898027 AFXUBUVMOAIUQU-UHFFFAOYSA-N 205.305 2.147 0 40 BEAB CC(=O)Nc1ccnn1C1CCCCC1 32969266 XDEVZTKQPUMOOT-UHFFFAOYSA-N 207.277 2.347 0 40 BEAB CC(C)COCc1nn(C)cc1Br 408716413 MSHPCGAKHARYSP-UHFFFAOYSA-N 247.136 2.355 0 40 BEAB Cc1ccc(C(C)(C)C)cc1[C@H](O)CO 71511227 UUWMOGYWRJDSNN-GFCCVEGCSA-N 208.301 2.318 0 40 BEAB C[C@@H](NCC(=O)O)c1cccc(Cl)c1 36722937 UJQGOTPKIGGGMD-SSDOTTSWSA-N 213.664 2.075 0 40 BEAB CCc1ccc(C(=O)[C@H]2C[C@@H]2C(=O)OC)cc1 217817472 BVISVLOWLVLWLN-RYUDHWBXSA-N 232.279 2.241 0 40 BEAB COc1ccc([C@@H](N)c2ccccc2)c(C)n1 72224030 CCOYMWWETDIYPC-AWEZNQCLSA-N 228.295 2.447 0 40 BEAB Cc1ccc(Br)c(CN)c1 82644181 QCDYJPCWTBSCQZ-UHFFFAOYSA-N 200.079 2.216 0 40 BEAB in-vitro O=Cc1c[nH]c2ccc(Br)nc12 44712854 PUIOZFSCPRTSQS-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB C[C@@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228303 IZNCWHSGTREGNN-YVECIDJPSA-N 209.333 2.092 0 40 BEAB C[C@@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 95093769 JVNQIVFIOMMCFT-QEJZJMRPSA-N 230.355 2.116 0 40 BEAB C[C@@H]1O[C@@H]2CCC[C@H](CC(=O)O)[C@H]2[C@@H]1C 242554697 MTYHLPGWADWHSZ-VEOFNUSFSA-N 212.289 2.301 0 40 BEAB c1cncc(CN[C@H]2COc3ccccc32)c1 70070252 DRVIXWKXQJWGGM-ZDUSSCGKSA-N 226.279 2.305 0 40 BEAB Cc1ccc(C)c(N(C)[C@H](C)C(=O)O)c1 260200719 UHDLPYOKHMXDEP-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB C[C@H]1CCCCN1C(=O)c1ccncc1 5529164 LLNCJYRCWMEUJW-JTQLQIEISA-N 204.273 2.096 0 40 BEAB NC(=O)Cc1ccc(Cc2ccccc2)cc1 164897270 HNSFKDTVCAPWKF-UHFFFAOYSA-N 225.291 2.305 0 40 BEAB CC(C)CO[C@H](Cc1ccccc1)C(=O)O 147374939 LIZGUKVINJQFEC-GFCCVEGCSA-N 222.284 2.355 0 40 BEAB C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccccn1 29728986 LCSKDHAOQPQIAV-NXEZZACHSA-N 233.315 2.240 0 40 BEAB CSCCCN[C@@H]1CSC[C@@H]1C 336634686 DLMSIMVTTHMNED-DTWKUNHWSA-N 205.392 2.081 0 40 BEAB Cc1csc(OC2C[C@@H]3CC[C@H](C2)N3C)n1 585651799 HJKKNIQYBGPVFB-ZACCUICWSA-N 238.356 2.456 0 40 BEAB CC(C)C[C@H](C)NCc1nnc2ccccn12 20185425 PKTFZMIDUGTINQ-NSHDSACASA-N 232.331 2.254 0 40 BEAB Cc1ccc(CNC(=O)NC2CCCC2)n1C 30988034 CMBAXDVPXMPJKC-UHFFFAOYSA-N 235.331 2.075 0 40 BEAB Cc1csc(NC(=O)NC(C)(C)C)n1 137683 DWPUEYMFBPIUIG-UHFFFAOYSA-N 213.306 2.372 0 40 BEAB CC(=O)OCC(=O)c1c(C)[nH]c2ccccc12 314058 DFSKMDUCZMIAOM-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB CCOC1=CC(=O)N(c2ccc(C)cc2)C1 383255 AUTQNRQIXSHISE-UHFFFAOYSA-N 217.268 2.262 0 40 BEAB C[C@@H](CN(C)C)OC(=O)Nc1ccccc1 1640930 HTAXCBIPSABVFQ-JTQLQIEISA-N 222.288 2.185 0 40 BEAB COc1cccc(C(=O)c2ccncc2)c1OC 1762937 JXRNNYSLIUEYHF-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB Nc1ccc2c(c1)Cc1cc(N)c(N)cc1-2 1769250 QHRCANQMKNYZQQ-UHFFFAOYSA-N 211.268 2.004 0 40 BEAB Sc1nncn1-c1cccc(Cl)c1 3888197 BUJPRPNYDPDHJB-UHFFFAOYSA-N 211.677 2.209 0 40 BEAB in-vitro CN(C)CCOC(=O)c1ccccc1Cl 4592063 IVWVYDMMGYYQGW-UHFFFAOYSA-N 227.691 2.058 0 40 BEAB CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 4743439 RMRZPLJAVNSFCJ-UHFFFAOYSA-N 207.317 2.291 0 40 BEAB CN(C)CC(=O)c1ccc(Br)cc1 5342114 ZVAAFQGDISMABS-UHFFFAOYSA-N 242.116 2.193 0 40 BEAB C[C@H]1CCCC2=C1[C@H](O)c1c(N)cccc1[C@@H]2O 5392873 FWXVQPOPJHBIEI-SVGYWBMUSA-N 245.322 2.466 0 40 BEAB COc1ccc2c(c1)CC[C@H]1C=NO[C@@H]21 5551379 YRSNLDZQPNYKPW-JOYOIKCWSA-N 203.241 2.315 0 40 BEAB CCOc1ccccc1NC(C)(C)C(=O)O 8702853 KYLGOOGGHVVYRI-UHFFFAOYSA-N 223.272 2.360 0 40 BEAB Cc1cccc(N2[C@@H](C)CNC[C@H]2C)c1C 11632629 HZBPUJQEOWGYGS-TXEJJXNPSA-N 218.344 2.490 0 40 BEAB CCN(CC)CCOc1ccc(N)c(C)c1 14630755 FHVDYGHPWZQLQN-UHFFFAOYSA-N 222.332 2.298 0 40 BEAB in-vitro c1cc2c(cc1O[C@@H]1CCCNC1)CCC2 14631778 AEHUQSSKSVUOQJ-CQSZACIVSA-N 217.312 2.306 0 40 BEAB O=C1CCC[C@@H]2c3cc(F)ccc3N[C@H]12 14987843 IHIIJLANCVFABM-PELKAZGASA-N 205.232 2.456 0 40 BEAB C[C@@H]1Cc2ccccc2N1C1CCNCC1 19508338 DFVAWHTZPQAMMS-LLVKDONJSA-N 216.328 2.190 0 40 BEAB in-vitro c1ccc2[nH]c(SC3CCNCC3)nc2c1 20274218 CHXJXRYXZHSGOT-UHFFFAOYSA-N 233.340 2.407 0 40 BEAB Nc1cccc(-n2nccc2C(F)(F)F)c1 20593933 KSZJSRJBDDIYRC-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro COc1cccc([C@@H]2C[C@@H]2C(C)=O)c1OC 20594338 GAECBCABHWULGJ-MNOVXSKESA-N 220.268 2.396 0 40 BEAB CCN(CC)C(=O)c1ccc(F)c(F)c1 28210419 QMPRMGVJCXXVQG-UHFFFAOYSA-N 213.227 2.447 0 40 BEAB N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O 29566843 XXPHIHDDXCFWMS-CQSZACIVSA-N 241.290 2.308 0 40 BEAB O=C(O)[C@H]1CCCN(CC2CCCCC2)C1 35296616 BYFHWNGHYYXTCP-LBPRGKRZSA-N 225.332 2.363 0 40 BEAB CC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 35670947 WXXLWKGBJPLOCH-LLVKDONJSA-N 235.283 2.119 0 40 BEAB C[C@@H]1CN(Cc2cccc3cccnc23)CCO1 36391841 DHDTZALRTNOJTO-GFCCVEGCSA-N 242.322 2.456 0 40 BEAB CCCn1ccnc1SCc1nnc(C)o1 36396558 RHVKMDHJZSFHFD-UHFFFAOYSA-N 238.316 2.277 0 40 BEAB Cc1n[nH]c(C)c1CNCc1cccs1 36864723 JSZKANHEOSFRQQ-UHFFFAOYSA-N 221.329 2.378 0 40 BEAB Cc1ccc2c(c1)COC21CCNCC1 38523950 KAOZMQDGVCWPOQ-UHFFFAOYSA-N 203.285 2.104 0 40 BEAB CCC(C)(C)NC(=O)CC[C@@H]1CCCO1 40506089 ZLZNWDRIUCUERB-JTQLQIEISA-N 213.321 2.250 0 40 BEAB CCCC[C@H](NCc1ccccc1)C(=O)O 41042479 HQDXZMGISBZJCQ-LBPRGKRZSA-N 221.300 2.420 0 40 BEAB in-vitro COCCN(Cc1ccco1)C(=O)c1ccco1 45416997 QETUOLDIHNSEAN-UHFFFAOYSA-N 249.266 2.161 0 40 BEAB CN(Cc1ccncc1)C(=O)c1cccs1 46045552 GZLYOQYJIFMYSA-UHFFFAOYSA-N 232.308 2.415 0 40 BEAB Cc1ccc2c(c1)N(CCCO)CCC2 71897280 DNEKSQVVXZOSAU-UHFFFAOYSA-N 205.301 2.130 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Oc1cccc(-n2ccnc2)c1 71915235 DXBMGLIRXIOWLC-MFKMUULPSA-N 242.278 2.434 0 40 BEAB COCCCCCn1c(=O)n(C)c2ccccc21 72302014 AVBLMRMEVKBEGW-UHFFFAOYSA-N 248.326 2.157 0 40 BEAB CCN1CCC[C@H](c2nc(C)cc(NC)n2)C1 72361102 MGQWTALZDBSPBV-NSHDSACASA-N 234.347 2.026 0 40 BEAB c1ccc2c(C[C@H]3CCNC3)cncc2c1 72367579 DXFBGDARBALNCX-LLVKDONJSA-N 212.296 2.387 0 40 BEAB CC[C@@H]1C[C@@H](C)CN1CCC(=O)NC(C)(C)C 75022783 ZVVZCTWQPFCRHR-VXGBXAGGSA-N 240.391 2.412 0 40 BEAB O=C1C[C@H](C(=O)O)[C@H](c2ccc(Cl)cc2)O1 85394770 WJCJCSBZEIWYTB-WPRPVWTQSA-N 240.642 2.029 0 40 BEAB Cc1cc(CNCCc2ccccc2)n(C)n1 89182296 GZBPUWIQTAWHQH-UHFFFAOYSA-N 229.327 2.061 0 40 BEAB CCOC(=N)c1ccccc1N1CCC(O)CC1 89212555 FZXPKBXHXWALSA-UHFFFAOYSA-N 248.326 2.010 0 40 BEAB CCN(Cc1ccoc1)C(=O)c1ccncc1O 96486584 FQYGKLYGBOEJBU-UHFFFAOYSA-N 246.266 2.043 0 40 BEAB C[C@@H]1CCCC[C@@H]1CNCCn1ccnc1 97086457 WWRLDQQCOFBPJO-CHWSQXEVSA-N 221.348 2.299 0 40 BEAB COCCSCc1cn2ccsc2n1 97212684 PTHFYZCCWBTOGU-UHFFFAOYSA-N 228.342 2.275 0 40 BEAB CNC(=O)c1c(N)sc2c1-c1ccccc1C2 100619597 UTGUUVLQOMRBEF-UHFFFAOYSA-N 244.319 2.261 0 40 BEAB in-vitro C[C@@H]1[C@@H](NC(=S)NC2CC2)CCC[C@H]1C 104272549 FKBYCYJTJOSXCB-YWVKMMECSA-N 226.389 2.438 0 40 BEAB CCOC(=O)Cc1ccc(OC(F)F)cc1 106148183 JGLLZEVSQXVDFL-UHFFFAOYSA-N 230.210 2.394 0 40 BEAB CCOC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 106931638 PJGRLHKICHVEIJ-VXGBXAGGSA-N 220.268 2.362 0 40 BEAB CCOC[C@H](C)OC(=O)c1cc(Cl)cn1C 190768109 OSYSKNLSRPBYNE-QMMMGPOBSA-N 245.706 2.260 0 40 BEAB CC(=O)c1ccc(NCC(C)(C)N(C)C)nc1 195574316 YEFNCOLEVHDVTR-UHFFFAOYSA-N 235.331 2.036 0 40 BEAB CC(C)N(C(=O)CO)c1ccc(Cl)cc1 196998030 OLCFDRRWUXUESH-UHFFFAOYSA-N 227.691 2.074 0 40 BEAB FCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 225467090 KXOLULNBAYGQGR-STQMWFEESA-N 245.338 2.006 0 40 BEAB O=C1CCC[C@@H]2NC[C@@H](c3ccccc3)[C@H]12 247854583 IYBQIESBEUYFKD-OBJOEFQTSA-N 215.296 2.111 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC(=O)C12CCC2 390822226 WAWMGPASQBFAMC-QMMMGPOBSA-N 225.288 2.023 0 40 BEAB Cc1cc(O)c(-c2cccs2)c(=O)n1C 575410848 GRDOQUPHJCXPIA-UHFFFAOYSA-N 221.281 2.128 0 40 BEAB CN(C(=O)c1cscn1)[C@H]1CCC[C@@H]1F 585298965 XAQJNBSTFQEHSA-CBAPKCEASA-N 228.292 2.106 0 40 BEAB O[C@]1(CNc2ncc(Cl)cn2)C=CCCC1 1776001587 ZQFPTPIZALHZQS-LLVKDONJSA-N 239.706 2.013 0 40 BEAB Nc1nnc(Cc2c[nH]c3ccccc23)s1 32424 SCTCFEMYJYGVJN-UHFFFAOYSA-N 230.296 2.192 0 40 BEAB Nc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 3173227 MUHCGJWMGILNAJ-UHFFFAOYSA-N 229.070 2.361 0 40 BEAB CC(=O)CSc1ncnc2sccc12 3434016 BIZLOVLCZRUSHM-UHFFFAOYSA-N 224.310 2.372 0 40 BEAB C(=C/c1ccnc2ncnn12)\c1cccs1 4073157 FBUFJJIQNGUTGX-ONEGZZNKSA-N 228.280 2.356 0 40 BEAB CCOc1ccc(C(N)=S)cc1OCC 5592435 CCDWRZYGBRUZLU-UHFFFAOYSA-N 225.313 2.118 0 40 BEAB in-vitro O=[S@@](O)c1cc(Cl)c(O)c(Cl)c1 5812599 XNBXXDJLLSQLKA-UHFFFAOYSA-N 227.068 2.280 0 40 BEAB CCC(=O)CCC1(C)C(=O)CCCC1=O 8311681 ZARBRIHTWIAEBW-UHFFFAOYSA-N 210.273 2.074 0 40 BEAB Oc1nc(S)ncc1Oc1ccccc1 8616275 RIIFDWLMPIDKQX-UHFFFAOYSA-N 220.253 2.263 0 40 BEAB CCCCNC(=O)c1cc(N)ccc1Cl 8732440 JNNCJASZIRBQFC-UHFFFAOYSA-N 226.707 2.452 0 40 BEAB CCCCOC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 8844770 RUFPVBGMFJWXNM-MJBXVCDLSA-N 243.391 2.142 0 40 BEAB Cc1ccccc1[C@H]1CCCN1CC(=O)O 12397273 YJOFGVVIEBUPQN-GFCCVEGCSA-N 219.284 2.217 0 40 BEAB Cc1cc(CO[C@H](CN)Cc2ccccc2)no1 14628654 ORRSMVQSJREEDO-AWEZNQCLSA-N 246.310 2.070 0 40 BEAB COc1ccc([C@@H](N)C(F)(F)F)c(OC)c1 19967780 MJZVNVRMFKNDNI-SECBINFHSA-N 235.205 2.266 0 40 BEAB C[C@H](NC(=O)c1ccco1)c1ccccn1 28781052 AUYZDLOEECPEPN-VIFPVBQESA-N 216.240 2.166 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)c1cccnc1 33206542 JBRMZVLGMPAGMG-JTQLQIEISA-N 230.267 2.036 0 40 BEAB CCCOC(=O)[C@@H](C)NC(=O)C1CCCCC1 33943941 KTFMVDMFVPROET-SNVBAGLBSA-N 241.331 2.025 0 40 BEAB C=C1COC(C(F)(F)F)(C(F)(F)F)O1 34062275 NISZWNSSJAXFEE-UHFFFAOYSA-N 222.084 2.368 0 40 BEAB Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 34956105 LHBMJPDGQWFLNK-SNVBAGLBSA-N 232.239 2.294 0 40 BEAB CCONC(=O)CSCc1ccc(C)cc1 36391525 LPLWVZVWRCLYEY-UHFFFAOYSA-N 239.340 2.296 0 40 BEAB CC(C)Cn1cnc2c[n+]([O-])c3ccccc3c21 36468064 RBKTVDLDAPUNMV-UHFFFAOYSA-N 241.294 2.479 0 40 BEAB Cc1ccc(C(=O)N2CCSCC2)c(C)c1 40541971 KVDZDPIBYLWYEI-UHFFFAOYSA-N 235.352 2.492 0 40 BEAB CCNC(=O)Nc1cccc(NC(=O)CC)c1 44104838 QIOXYNCCTPCOHY-UHFFFAOYSA-N 235.287 2.177 0 40 BEAB COC(=O)Cc1ccc(OC)cc1Cl 44563623 NJUYHSXMSFIKPW-UHFFFAOYSA-N 214.648 2.064 0 40 BEAB Cc1ccc(NC(=S)NC(C)(C)C)nc1 54924581 YNJOZPIUTFFMJZ-UHFFFAOYSA-N 223.345 2.475 0 40 BEAB COc1ccccc1-c1cc(NC(C)=O)[nH]n1 63864730 YFJLTWRMRXAVQD-UHFFFAOYSA-N 231.255 2.044 0 40 BEAB Cc1cnn(C[C@@H](C)NCc2cccs2)c1 69493207 UKMFDKJYQBFOQL-LLVKDONJSA-N 235.356 2.431 0 40 BEAB NCCc1cn(Cc2ccc(Cl)cc2)cn1 71546850 XQWAHENIDKJIKW-UHFFFAOYSA-N 235.718 2.086 0 40 BEAB CCCCCCN1CCC[C@H](OCCO)C1 71920940 SGJDDXGNKBPFGL-ZDUSSCGKSA-N 229.364 2.040 0 40 BEAB c1cncc(-c2cnc(C3CCNCC3)cn2)c1 72386807 NAJILLIJAHQDBB-UHFFFAOYSA-N 240.310 2.006 0 40 BEAB CCN(CC)C(=O)Cc1ccc(OC)c(C)c1 74959660 QLOLXHXXVKDLGA-UHFFFAOYSA-N 235.327 2.415 0 40 BEAB CCOC(=O)Cc1ccc(NC(=O)C2CC2)cc1 76872108 OSAWSVURDPQHMB-UHFFFAOYSA-N 247.294 2.141 0 40 BEAB Cc1cc(C)n(-c2nccc(C(F)(F)F)n2)n1 81588664 WQRQHWHXVBZNPW-UHFFFAOYSA-N 242.204 2.298 0 40 BEAB O[C@H]1CCC[C@@H]1c1ccc(Br)cn1 85400035 AFHTXLQAHTXYEQ-SCZZXKLOSA-N 242.116 2.473 0 40 BEAB COCCCn1cccc1CNCC(C)C 85584129 PIRPAIGAEBPDGC-UHFFFAOYSA-N 224.348 2.270 0 40 BEAB C[C@H](N[C@H](C)C1CCC1)C1CCN(C)CC1 90856770 GMJARXCGKSKXFA-NEPJUHHUSA-N 224.392 2.495 0 40 BEAB CN(Cc1cnccn1)c1nccc2occc12 91484105 JEISJSFQZHPCOR-UHFFFAOYSA-N 240.266 2.254 0 40 BEAB CC(C)(C)c1nc([C@@H](N)c2ccccc2)n[nH]1 95533459 GKJPWHHNBMDOLA-JTQLQIEISA-N 230.315 2.150 0 40 BEAB Cc1ncc(Br)c(C)c1N 95627629 USTIQRHYARIVMJ-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB CCCOc1c(F)cc(F)cc1CCO 95732046 MVISENRQXVHWPF-UHFFFAOYSA-N 216.227 2.288 0 40 BEAB CCC(=O)NC[C@@H](OC)c1ccccc1C 96104897 QLHUNDJOZXFZIX-GFCCVEGCSA-N 221.300 2.209 0 40 BEAB Cc1ccc(C(=O)OCC[C@H]2CCCO2)o1 97011903 YNVAUMIQOWROBR-SNVBAGLBSA-N 224.256 2.314 0 40 BEAB C[C@H](O)[C@H]1CCCN(Cc2cccs2)C1 97162217 XAGDLWVUYGWZCL-QWRGUYRKSA-N 225.357 2.341 0 40 BEAB Cc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)no1 98018864 MWIOJYUTPGIFQY-GHMZBOCLSA-N 234.299 2.245 0 40 BEAB COc1cc(OC(F)(F)F)c(F)cc1N 98211058 PZTBIHXZQZSAMQ-UHFFFAOYSA-N 225.141 2.315 0 40 BEAB O=C(O)[C@H]1CCc2[nH]c3ccccc3c21 107190426 KPUYRZKPXVVXCE-QMMMGPOBSA-N 201.225 2.282 0 40 BEAB Cc1c(CNc2ccnc(C3CC3)n2)cnn1C 128851593 AOLSWZULRRFHNT-UHFFFAOYSA-N 243.314 2.008 0 40 BEAB Cn1cccc1CN1CCC[C@@H](c2ccn[nH]2)C1 193856448 XTXGJDUMHJWIKD-GFCCVEGCSA-N 244.342 2.128 0 40 BEAB O=Cc1cc(Cl)c2cccnc2c1O 207365383 SXMCPJRWVHXHKP-UHFFFAOYSA-N 207.616 2.406 0 40 BEAB CC(C)(C)[C@@H]1Nc2ccccc2C[C@H]1O 257198102 STBDCUBRSFVRPJ-VXGBXAGGSA-N 205.301 2.430 0 40 BEAB Fc1cc2cc[nH]c2c(Br)n1 261506729 ALTLKBRBJUJTHY-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB Cc1[nH]nc2cc(C(F)(F)C(=O)O)ccc12 393744229 HZXRACPMNXDBKL-UHFFFAOYSA-N 226.182 2.048 0 40 BEAB C/C(=C\c1ccccc1)C(=O)N1C[C@H]2C[C@H]1CO2 575616592 QZQMDLVKKHAZKY-WANXEPPHSA-N 243.306 2.090 0 40 BEAB FC1(F)CN[C@@H](c2noc(C3CCC3)n2)C1 585146114 BGJGVBDZFDCIBS-SSDOTTSWSA-N 229.230 2.007 0 40 BEAB CN(c1ccnc2ccsc12)[C@@H]1CCNC1 643007079 ZBPAVJYWCJLDGG-SECBINFHSA-N 233.340 2.094 0 40 BEAB Cc1nn2c(Cc3ccc(F)cc3)nnc2s1 385303 AIMDZZGFUIXXPZ-UHFFFAOYSA-N 248.286 2.224 0 40 BEAB O[C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1 1589748 NCCYBEZNRYYHRY-GJZGRUSLSA-N 228.291 2.324 0 40 BEAB biogenic C[C@@](O)(C1CC1)[C@H](C(=O)O)c1ccccc1 1593048 SLDAEGGTLLAFPL-WCQYABFASA-N 220.268 2.016 0 40 BEAB CN(C)CC[C@H](O)c1ccc(Cl)cc1 1733102 GXYMVYGPHADUNW-NSHDSACASA-N 213.708 2.325 0 40 BEAB COCCNC(=O)C1(c2ccccc2)CCCC1 2512632 FCNOBDJUTNVJQA-UHFFFAOYSA-N 247.338 2.261 0 40 BEAB COc1ccc(NC(=O)c2ccc(F)cc2)cn1 5199226 IUTVEZXYMCJRBV-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F 8324319 QBFYQMMKZRQMBH-VIFPVBQESA-N 234.173 2.054 0 40 BEAB CCCC(=O)Nc1cc(N)ccc1OC 8703546 KRHILNALWGGEKV-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB CCOCCCOc1ccc(C(=O)O)cc1 8731430 ZPCIKAYNHZRQAN-UHFFFAOYSA-N 224.256 2.190 0 40 BEAB O=C(NCCc1cccc(F)c1)c1ccoc1 10101848 WIMKAHVUMFGVSU-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB O=C(c1ccccn1)N1CCc2sccc2C1 10885051 JLJACVAXLHIGBS-UHFFFAOYSA-N 244.319 2.342 0 40 BEAB CN(C)C(=O)CCSCc1ccccc1 13687895 CBVSDENUCNQQJZ-UHFFFAOYSA-N 223.341 2.398 0 40 BEAB CC(C)(C)[C@H](O)CC(=O)C(F)(F)C(F)F 13940835 MUIZZZIEBIXZSZ-RXMQYKEDSA-N 230.201 2.253 0 40 BEAB COc1ccc2[nH]c([C@H]3CCCNC3)nc2c1 19737156 YHICTPQUHTWILB-VIFPVBQESA-N 231.299 2.039 0 40 BEAB O=C1NCCCC[C@@H]1Nc1ccc(Cl)cc1 20051238 PCTANNOZLVBRFR-NSHDSACASA-N 238.718 2.421 0 40 BEAB O=C(/C=C/c1ccco1)N1CCSC1=S 26476439 MRZXFMTWTDVYBS-ONEGZZNKSA-N 239.321 2.153 0 40 BEAB Nc1nc(SCc2ccc(Cl)s2)n[nH]1 34017655 KSGZJCRDMJGCNX-UHFFFAOYSA-N 246.748 2.394 0 40 BEAB COc1ccc(-c2ccc(CO)cn2)cc1 35630067 ALTSPZPVYXVOSW-UHFFFAOYSA-N 215.252 2.250 0 40 BEAB O=C(O)c1ccccc1OCC1CCOCC1 52151468 QAMHTGVXIFZJDW-UHFFFAOYSA-N 236.267 2.190 0 40 BEAB Cc1ccc(N)cc1OCC1CCOCC1 52171013 NAOLLCNSCVBXKC-UHFFFAOYSA-N 221.300 2.383 0 40 BEAB in-vitro CCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 57464776 ZODXDINLKXMRFF-OUAUKWLOSA-N 233.377 2.141 0 40 BEAB O=C(O)c1ccc(-c2nc(C3CC3)no2)cc1 61811191 XDMDJHYHYBFBIH-UHFFFAOYSA-N 230.223 2.312 0 40 BEAB in-vitro O=C(O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 61811268 VWESYESHZREAFH-UHFFFAOYSA-N 229.239 2.047 0 40 BEAB in-vitro Oc1nnc(Br)c(Cl)c1Cl 71255464 CIXBFXGEDMRWSN-UHFFFAOYSA-N 243.875 2.252 0 40 BEAB Cc1ccnc([C@H]2CCCN2C2CCOCC2)n1 72381931 IUQYYZANMKKGEE-CYBMUJFWSA-N 247.342 2.101 0 40 BEAB Cc1ccc2[nH]c3c(c2c1)CC[C@H](N)C3 74213420 QVIZNYPPXICZFI-VIFPVBQESA-N 200.285 2.292 0 40 BEAB CN1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)C1 82328168 KHMRJIBLRBENAX-GHMZBOCLSA-N 239.702 2.070 0 40 BEAB NCC[C@@H](O)c1cccc2ccccc12 82638904 YZNUBSLKCGQZOI-CYBMUJFWSA-N 201.269 2.222 0 40 BEAB C[C@H](C(=O)O)n1cc(-c2ccc(F)cc2)cn1 85391382 CEFDBSRQVGMRDB-MRVPVSSYSA-N 234.230 2.335 0 40 BEAB CCOC(=O)[C@H]1CCCN(CC2CCC2)C1 88135572 RUAQAAKEPZKNGH-LBPRGKRZSA-N 225.332 2.062 0 40 BEAB O=C(c1ccncc1F)N1C[C@H]2CCCC[C@@H]2C1 89884888 QHFNMLSCKTZUKM-GHMZBOCLSA-N 248.301 2.483 0 40 BEAB Ic1cc2ncccc2[nH]1 95920027 JUJAFTULYLZIPX-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB in-vitro O=C(O)[C@H]1CCC[C@H](OC(F)(F)F)C1 96395135 WUWTUKRPGKAVNA-WDSKDSINSA-N 212.167 2.166 0 40 BEAB c1nn(C2CCCCC2)c2c1CCNC2 96515725 UGTFINWMVYCPDD-UHFFFAOYSA-N 205.305 2.034 0 40 BEAB CN(C)c1c(N(C)C)c(=S)c1=S 103904365 HBKAUEVQEUTNPY-UHFFFAOYSA-N 200.332 2.153 0 40 BEAB C[C@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](CN)[C@H]21 225761659 ULMGXBABGMHAEG-BQHMLIOBSA-N 237.265 2.185 0 40 BEAB CC[C@H](C)C[C@H](CC)N[C@H]1CCN(C)C1 238857307 YTZGWYJAGBGQIG-AVGNSLFASA-N 212.381 2.495 0 40 BEAB FC1(F)CCC[C@@H]1NCc1cc[nH]c1 306240693 HKOZDABTLYYBCP-VIFPVBQESA-N 200.232 2.292 0 40 BEAB Cc1nccnc1N1CCC(F)(F)CC1 585379984 HCNGTDFZKCGTAL-UHFFFAOYSA-N 213.231 2.021 0 40 BEAB COC(=O)c1c(C(F)(F)F)cc(F)nc1F 675050425 IEKHNGSZRTTWAF-UHFFFAOYSA-N 241.115 2.165 0 40 BEAB CNCc1ncc(-c2sccc2C)cn1 906165654 UTXVYRBJMBLVMZ-UHFFFAOYSA-N 219.313 2.233 0 40 BEAB CC(=O)NCCc1c[nH]c2ccc(C)cc12 77354 MUZPBNQEMRYLDI-UHFFFAOYSA-N 216.284 2.155 0 40 BEAB CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 129507 IOKUIFTUULBXMB-UHFFFAOYSA-N 232.235 2.417 0 40 BEAB biogenic O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1 409462 ZVXNHYZKXBMGBJ-MGPQQGTHSA-N 245.322 2.085 0 40 BEAB CCCCCC[C@@H](O)CCOC(C)=O 1665919 RTYFAKSWXDNPPU-LLVKDONJSA-N 202.294 2.271 0 40 BEAB endogenous,in-man O=C(Nc1ccc(O)c(=O)cc1)c1ccccc1 1724151 VJYMHMURUDYNNO-UHFFFAOYSA-N 241.246 2.005 0 40 BEAB O=C1O[C@@H](O)c2cccc3cccc1c23 1734312 IKHBRFXMNHCNDC-LLVKDONJSA-N 200.193 2.001 0 40 BEAB Cc1cccc(C)c1NC(=O)COC(=O)C1CC1 3392842 BEXROOFGTVBIRG-UHFFFAOYSA-N 247.294 2.195 0 40 BEAB O=C(O)[C@@H]1CNC[C@H]1c1cccc2ccccc12 4241641 NLVXTQPLGJBYLL-UONOGXRCSA-N 241.290 2.227 0 40 BEAB C1CCC(c2nc([C@@H]3CCCNC3)n[nH]2)CC1 41161717 KYUHNIBEFFCDOZ-LLVKDONJSA-N 234.347 2.319 0 40 BEAB in-vitro CC[C@H](C)NC(=S)Nc1ccc(OC)nc1 59113748 YZJJUKHZWBUBHQ-QMMMGPOBSA-N 239.344 2.175 0 40 BEAB CC[C@H](C)NC(=O)C(=O)Nc1c(C)cccc1C 9994985 NCFAMHNAGMLEPP-NSHDSACASA-N 248.326 2.157 0 40 BEAB Cc1ccccc1NC(=O)Cn1cccc1C=O 33508532 NQOUOVSMIKJIJJ-UHFFFAOYSA-N 242.278 2.248 0 40 BEAB CCCc1c(CC)nn(-c2ccccn2)c1N 26512227 MVRYENZGYJHCLD-UHFFFAOYSA-N 230.315 2.364 0 40 BEAB CN[C@@H](c1ccc(Cl)cc1)c1ncccn1 37658180 USFVRQPENBTQNL-NSHDSACASA-N 233.702 2.439 0 40 BEAB in-vitro CC(C)c1noc([C@@H](C)N2CCSCC2)n1 47986444 CKMWLWJGLZQPOZ-SECBINFHSA-N 241.360 2.303 0 40 BEAB CCN(Cc1ccccc1C)C(=O)[C@@H]1CCCN1 35208250 TVIPRBKKQDBFFN-AWEZNQCLSA-N 246.354 2.096 0 40 BEAB c1ccc(OCCNCc2ccsc2)nc1 35287223 FJAAUGBUZHBXTL-UHFFFAOYSA-N 234.324 2.312 0 40 BEAB COc1cc2c(C=O)cn(C)c2cc1OC 58823880 NRNMAHMOTPIIFL-UHFFFAOYSA-N 219.240 2.008 0 40 BEAB COc1ccccc1-n1c(C)n[nH]c1=S 6534005 CKAPERUSCNSKPS-UHFFFAOYSA-N 221.285 2.247 0 40 BEAB Cc1ccc(C(=O)C2CCNCC2)c(C)c1 19421823 XDNVDWRCYCCMSM-UHFFFAOYSA-N 217.312 2.486 0 40 BEAB in-vitro COc1ncnc2c1oc1nc(C)cc(C)c12 6759755 JWYSXVKFPTZDDG-UHFFFAOYSA-N 229.239 2.396 0 40 BEAB CCCn1c2ccccc2c2cn[nH]c(=O)c21 6721952 QWUQHJHSHXAQOQ-UHFFFAOYSA-N 227.267 2.288 0 40 BEAB COC(=O)c1[nH]c2cc(Cl)ccc2c1C=O 8378129 GKXMWERDCUFMMP-UHFFFAOYSA-N 237.642 2.420 0 40 BEAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)C1CC1 87410947 DOGOLEPVQLOIPQ-CZUORRHYSA-N 241.334 2.417 0 40 BEAB COc1ccc([C@H]2C[C@H]2C(C)=O)cc1OC 31829287 WFCJJPNRPWWNHK-WDEREUQCSA-N 220.268 2.396 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cnccc1C 72211392 IZFIGVRZEDWNDZ-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB Cc1ccc(NCc2cnn3cccnc23)cn1 32576546 LHLSBASVYYPGFO-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB C/C=C/C(=O)Nc1nnc(-c2ccccc2)o1 39750047 IMSBCBJQMGUHQJ-QHHAFSJGSA-N 229.239 2.251 0 40 BEAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1cc[nH]n1 72350825 JEYCLTPQDSKGBC-WCQYABFASA-N 245.326 2.430 0 40 BEAB Cc1ccnc([C@H]2CCCCN2C(=O)C(C)C)n1 72187680 IXRKYEBNMQBSOD-GFCCVEGCSA-N 247.342 2.495 0 40 BEAB O=C(O)c1cc(Cl)cc2c1OCC=C2 228958914 NGZVTSCYHUOHDB-UHFFFAOYSA-N 210.616 2.444 0 40 BEAB CC[C@H](O)c1cncc(Br)c1 87265852 OUGKOCFYIYKUDJ-QMMMGPOBSA-N 216.078 2.288 0 40 BEAB CC(=O)N1C[C@H](n2cccn2)Cc2ccccc21 89930448 CAXLOOYEXSXMHO-CYBMUJFWSA-N 241.294 2.033 0 40 BEAB C[Si](C)(C)c1ccnc(Cl)c1F 195893562 JZPHGISCKHRSLG-UHFFFAOYSA-N 203.720 2.419 0 40 BEAB Cc1cc(S[C@H]2CCO[C@@H]2C)ncn1 96484037 OUSLERQSKDTGFE-BDAKNGLRSA-N 210.302 2.055 0 40 BEAB COc1ccc(Cl)cc1CCOC(C)=O 95729987 QBXCRMBURHGXMK-UHFFFAOYSA-N 228.675 2.454 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@@H]1c1ccc(F)cc1 257197975 OVVYFUJXQSDWMI-VXGBXAGGSA-N 237.274 2.039 0 40 BEAB Fc1cc(Cl)cnc1OC[C@@H]1CCCO1 94053517 KBIWXSNDQMQSEY-QMMMGPOBSA-N 231.654 2.432 0 40 BEAB CCC(CC)C(=O)NCCn1nc(C)cc1C 44158718 GMJPPSMYYFSKKQ-UHFFFAOYSA-N 237.347 2.052 0 40 BEAB c1cnc(-c2nc(C3CC3)cs2)cn1 68945757 WECUIDRFUKSZII-UHFFFAOYSA-N 203.270 2.478 0 40 BEAB O[C@H]1[C@H]2CCC[C@@H]1[C@]1(O)CCCC[C@@H]1C2 12657592 LGLZRUQGFUJOOH-PPCPHDFISA-N 210.317 2.089 0 40 BEAB NC(=O)N(c1ccccc1)c1ccccn1 13223185 IXDBNSMHWQNXQO-UHFFFAOYSA-N 213.240 2.298 0 40 BEAB C[C@H]1CCCCN1C(=O)NO[C@@H]1CCCCO1 166917488 BYVAZLWJPPJEBV-WDEREUQCSA-N 242.319 2.029 0 40 BEAB CCN(C(=O)[C@@H]1CCCO1)C1CCCCC1 617916 MYMIAJDRJUSXKV-LBPRGKRZSA-N 225.332 2.347 0 40 BEAB Cc1ccc(CC(=O)Nc2nncs2)cc1 804731 YFGRTFJWFOFHOS-UHFFFAOYSA-N 233.296 2.028 0 40 BEAB CC1=C(C(=O)O)[C@H](C)CC(=O)N1c1ccccc1 1692008 JQNYCPAHVLZHBR-SECBINFHSA-N 245.278 2.418 0 40 BEAB C[C@@H]1OC(c2ccc3c(c2)OCO3)O[C@H]1C 1711265 DBRCQKKPPIQWBT-YUMQZZPRSA-N 222.240 2.238 0 40 BEAB CCCCCC(=O)CCC(=O)OCC 2566551 RHHOUINGCOVIBN-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB biogenic CC(C)(C)OC(=O)n1cnc2cc(N)ccc21 2599358 XDHCBTYFHVDHFD-UHFFFAOYSA-N 233.271 2.402 0 40 BEAB O=C(Nc1cc(F)ccc1F)NC1CC1 3643359 YNHCORPJRLQDMA-UHFFFAOYSA-N 212.199 2.249 0 40 BEAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C=O 4826677 YNUVAJRGRQBLLB-HBNTYKKESA-N 212.289 2.189 0 40 BEAB Cc1ccnc(NC(=O)c2cccnc2)c1 5337933 PUNMNLGGZSTCSJ-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB Cc1cnc(C(=O)Nc2ccc(C)c(F)c2)cn1 6396821 YQAZNSBMIUNHFX-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB CCCCOc1cc2c(cc1C=O)OCO2 8729748 YQQWFOFJKFSQLH-UHFFFAOYSA-N 222.240 2.407 0 40 BEAB CCC[C@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1N2 9937021 HFBNSQOMCGXKBX-DMDPSCGWSA-N 222.332 2.020 0 40 BEAB CCO/C=C1\N=C(c2ccc(F)cc2)OC1=O 12433213 QPFMVKFJCPVERI-YFHOEESVSA-N 235.214 2.007 0 40 BEAB aggregator CC(=O)Nc1nnc(-c2cccc(Cl)c2)o1 12514752 DYEKIHUJYYWZST-UHFFFAOYSA-N 237.646 2.348 0 40 BEAB O=C(CNc1ccc(Cl)cc1F)NC1CC1 12582850 ZBMZRBPXLMBUHZ-UHFFFAOYSA-N 242.681 2.170 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)Cn1cccn1 12908241 NXCINXBZCZIOTC-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCO1 12982564 UOFWAPXVZQBOSB-YPMHNXCESA-N 233.311 2.351 0 40 BEAB Cc1cccc(CC(=O)N[C@@H](C)[C@H]2CCCO2)c1 13320071 MVPYMUWRFGFCQJ-GXTWGEPZSA-N 247.338 2.221 0 40 BEAB COc1ccc(CCNC(=O)C=C(C)C)cc1 14589736 CNLSXQXZRHSVPD-UHFFFAOYSA-N 233.311 2.320 0 40 BEAB biogenic,in-vitro C[C@H](N)[C@@H](O)c1c(Cl)cccc1Cl 20216723 ZFDZETARMJTSGD-SSDLBLMSSA-N 220.099 2.374 0 40 BEAB in-vitro Clc1nc2cccnc2nc1Cl 21990998 HWJDFFLZOOKZNL-UHFFFAOYSA-N 200.028 2.332 0 40 BEAB in-vitro CC[C@@H](C)c1nc(Cl)n(-c2ncccn2)n1 22125467 JFZKTSFNMPECTG-SSDOTTSWSA-N 237.694 2.224 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2cc(C)ccc21 22234591 BXCLYVRHLWNJSJ-UHFFFAOYSA-N 231.251 2.028 0 40 BEAB O=C(Cn1ccc2ccccc21)N1CCCC1 26422285 BDQGKNPWECYVNK-UHFFFAOYSA-N 228.295 2.264 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 28502566 VFNDGNYTBJADNA-SNVBAGLBSA-N 248.326 2.373 0 40 BEAB O=C(O)c1cc(=O)c2c([nH]c3ccccc32)s1 31819438 VAGDWNGTSHOBML-UHFFFAOYSA-N 245.259 2.441 0 40 BEAB Fc1ccc([C@@H]2CNC[C@H]2c2cc[nH]n2)cc1 35605829 NVTPVMPVSIFJTR-NWDGAFQWSA-N 231.274 2.019 0 40 BEAB Cc1cc(O[C@H]2CCNC2)ccc1Cl 36142116 TWOMUHKBTKCBIY-JTQLQIEISA-N 211.692 2.389 0 40 BEAB in-vitro NC[C@H](c1cc(F)ccc1F)N1CCCC1 37233433 CLYKXGWKSBKPPK-GFCCVEGCSA-N 226.270 2.060 0 40 BEAB O=C(CC(F)(F)F)NC1CCCCC1 40490311 BLEUGPOAIJHSNU-UHFFFAOYSA-N 209.211 2.388 0 40 BEAB COc1ccc(NC(=O)NCc2ccco2)cn1 40513519 NPKSAQLNNYXUDI-UHFFFAOYSA-N 247.254 2.005 0 40 BEAB CN(C)c1ccccc1NC(=O)N1CCCC1 40526928 HJSCLGNKNHYGRE-UHFFFAOYSA-N 233.315 2.380 0 40 BEAB Cc1cc(C(=O)NCc2ccc(C)s2)on1 40541706 NJXKGSJJSOYYFE-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Cc1ccc(COC[C@@H]2CCNC2)cc1 42772038 URSUJPODQBIQKH-CYBMUJFWSA-N 205.301 2.121 0 40 BEAB NCCOc1ncc(C(F)(F)F)cc1Cl 43220515 SAVLXYCSSWVNTD-UHFFFAOYSA-N 240.612 2.091 0 40 BEAB in-vitro Cc1ccc(OC[C@H](O)CN2CCCC2)c(C)c1 46344913 HMXWEHMRCLHVGB-CQSZACIVSA-N 249.354 2.139 0 40 BEAB CCc1nc(CCNc2ccccc2)n[nH]1 48630831 FGZVFNNCMAAJPD-UHFFFAOYSA-N 216.288 2.022 0 40 BEAB CNC(=O)c1ccc(-c2nc(C)cs2)cc1 58267048 OKIJJIVVTLYPNA-UHFFFAOYSA-N 232.308 2.478 0 40 BEAB CO[C@@H](CN)c1ccc2ccccc2c1 62711406 DGOLESSIGARASK-ZDUSSCGKSA-N 201.269 2.486 0 40 BEAB CS[C@@H]1CCN(C(=O)OC(C)(C)C)C1 64034367 RFFVIHRYBTXYFL-MRVPVSSYSA-N 217.334 2.359 0 40 BEAB Cc1ccc(C)c(OCc2nnnn2C2CC2)c1 65522750 REZGMIBBLWIIMY-UHFFFAOYSA-N 244.298 2.204 0 40 BEAB CCCC(=O)N1CCCc2ncccc21 69512985 CSEYTJRCVGCADK-UHFFFAOYSA-N 204.273 2.161 0 40 BEAB O=Cc1c(Cl)ncn1-c1ccc(F)cc1 69949511 IHMWFIHDHIXBLP-UHFFFAOYSA-N 224.622 2.477 0 40 BEAB Cc1cc(O)nc([C@H]2CCCN(C(C)C)C2)n1 72348457 FCNWSZJQZWTJKE-NSHDSACASA-N 235.331 2.078 0 40 BEAB C1=CC[C@@H]2CN(c3nc(C4CC4)no3)C[C@H]2C1 78370799 YEADSVSDAZSBMT-GHMZBOCLSA-N 231.299 2.349 0 40 BEAB Cn1cc(C=O)c2nc(Br)ccc21 82328899 LTVUZTMZOLCZIG-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB C[C@H]1Cc2ccccc2N(CCC(=O)O)C1 82441953 WOUWSRBKIIEUMT-JTQLQIEISA-N 219.284 2.160 0 40 BEAB COC(=O)[C@H](c1cccc(C)c1)C1CCNCC1 84078670 LSELFUWSBGGBJT-AWEZNQCLSA-N 247.338 2.251 0 40 BEAB CNC(=O)c1cccc(-c2ccoc2)c1 89598960 QIKMOSUOLJPEPL-UHFFFAOYSA-N 201.225 2.306 0 40 BEAB Cc1cccc(C=O)c1OCC(=O)NC(C)(C)C 95095124 MWLZGMOVCBRKRW-UHFFFAOYSA-N 249.310 2.101 0 40 BEAB CCCn1c(C)nnc1CSc1cnccn1 95978038 LPSWEIWLLDKFGL-UHFFFAOYSA-N 249.343 2.079 0 40 BEAB CC(C)(C)[C@@H](O)CNC[C@H]1CC=CCC1 97020830 WQSFXPBWZZSUGD-RYUDHWBXSA-N 211.349 2.339 0 40 BEAB CCOc1cc(NCc2ncccc2F)ncn1 97096879 FOPHYFZKYRWNGA-UHFFFAOYSA-N 248.261 2.022 0 40 BEAB CC1CCC(O)(CN[C@@H](C)[C@H]2CCCO2)CC1 97111579 HQHBSGXGKQVBFK-YIFLHPOLSA-N 241.375 2.085 0 40 BEAB O=C(O[C@H]1CCOC1)C1=CCCCCC1 97164141 ZXOUOLLSQRYBBZ-NSHDSACASA-N 210.273 2.209 0 40 BEAB C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCOC1 98012597 MKOCFTQHXXTDQT-DGCLKSJQSA-N 245.322 2.391 0 40 BEAB CN(CC1(O)CCCC1)c1ccncc1Cl 104328714 PUSAXGOZPYTYTN-UHFFFAOYSA-N 240.734 2.476 0 40 BEAB CC1(C)C[C@H]1C(=O)N1CCC(n2cccn2)CC1 162157071 INQSKYCFADQFRU-LBPRGKRZSA-N 247.342 2.093 0 40 BEAB CN1CC[C@H](SCCC(C)(C)C)C1=O 187557709 OIZFMUFPWFUECV-VIFPVBQESA-N 215.362 2.387 0 40 BEAB CO[C@](C(=N)N)(c1ccccc1)C(F)(F)F 199556549 WFNMKCBIWAWLBF-VIFPVBQESA-N 232.205 2.027 0 40 BEAB C[S@@](=O)c1ccsc1Br 199972180 WRXWPHOHCOXNQJ-SECBINFHSA-N 225.132 2.248 0 40 BEAB CSc1ncc2c(n1)C[C@H](C(F)F)C[C@@H]2O 217649205 QPSXIVGKORDZCR-XNCJUZBTSA-N 246.282 2.059 0 40 BEAB O=C(O)[C@@H]1C[C@H]1Cc1ccc(F)cc1F 217824832 ZRXQSJZQVYCUDU-VXNVDRBHSA-N 212.195 2.228 0 40 BEAB CCOC(C)(C)C(=O)Nc1ccc(OC)cc1 225646538 YVSLZHLHRZWABT-UHFFFAOYSA-N 237.299 2.449 0 40 BEAB CCn1cnnc1CN[C@@H]1CCC[C@H](C)[C@H]1C 253370390 QDSVUTKYFJQKOM-QJPTWQEYSA-N 236.363 2.212 0 40 BEAB Cc1c[nH]c([C@H]2CCN(Cc3cc(C)on3)C2)n1 257252612 JVKXSNHWOYOHAX-NSHDSACASA-N 246.314 2.004 0 40 BEAB CC(=O)Oc1ccccc1/C=C(\C)[N+](=O)[O-] 408526882 HQNVYDWEONGBDV-BQYQJAHWSA-N 221.212 2.249 0 40 BEAB CCN(CC)c1nc2ccccc2n2cnnc12 12507 KTRZFDUOUIVFLG-UHFFFAOYSA-N 241.298 2.124 0 40 BEAB in-vitro CCN(CC)c1ccc2nc(C)c(=O)oc2c1 809948 SJRBYCPLXCIHOI-UHFFFAOYSA-N 232.283 2.343 0 40 BEAB C[C@H]1CCCC[C@]1(N)CNC(=O)OC(C)(C)C 60280000 UTCOPBUSXKFUTP-GWCFXTLKSA-N 242.363 2.419 0 40 BEAB in-vitro N[C@@]1(C(=O)c2ccccc2)C[C@H]2CC[C@@H]1C2 1560111 WXMKFJNHLNQUQQ-SUHUHFCYSA-N 215.296 2.387 0 40 BEAB O=c1c(O)c(CCCCCO)oc2ccccc12 2526382 PCZKMCHOYIIVBV-UHFFFAOYSA-N 248.278 2.204 0 40 BEAB in-vitro Nc1nc2c(s1)CCN(Cc1ccccc1)C2 32627869 VISLXHVJSCZPQV-UHFFFAOYSA-N 245.351 2.284 0 40 BEAB Cc1ccc(NC(=O)c2cnn(C)c2)c(C)c1 7070366 CVRAVJDGSVZSDO-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB COc1cc(C(=N)SC)cc(OC)c1OC 101653532 QJJYSDBEXWAIPR-UHFFFAOYSA-N 241.312 2.401 0 40 BEAB biogenic,in-vitro CC(C)CNC(=O)c1cc(Cl)c[nH]1 32819393 KLOODVNVTVCEHM-UHFFFAOYSA-N 200.669 2.054 0 40 BEAB C[C@@H](NC(=O)C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102583009 XUKIOVWVGJVCDC-QCZKYFFMSA-N 207.317 2.337 0 40 BEAB COC(=O)CC[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)C2 103612157 UNJPZBCQPIYUEJ-BIMULSAOSA-N 224.300 2.335 0 40 BEAB CC(C)OC1CCN(c2nc(N)cs2)CC1 103694638 LUDPUBDRDMSKIN-UHFFFAOYSA-N 241.360 2.119 0 40 BEAB CC(C)[C@@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 23056267 HQYBVHOAOLSZRR-SECBINFHSA-N 247.298 2.444 0 40 BEAB O=C(Nc1ccccn1)c1cc(Cl)ccn1 12539464 MQXDBONIVLMSLG-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB Cc1cc(-n2cccc2)ccc1C(=O)O 44750423 RAECIJDHJSGACW-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2nc(C)cs2)cn1 44895800 DWADUQLJOQHMEM-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(C)on2)c1 69562770 BSHOAKYEHIVCMS-NEPJUHHUSA-N 248.330 2.227 0 40 BEAB Cc1ccc(N2C=CCC(C(N)=O)=C2)cc1 4661777 AKYRVZLYALGKEA-UHFFFAOYSA-N 214.268 2.088 0 40 BEAB CCc1ccc(CN[C@H](CC)CO)cc1 5908662 YXLLTTFIVZPEAW-CYBMUJFWSA-N 207.317 2.110 0 40 BEAB CC[C@@H](C)OCc1ccnn1CCF 408716390 MNGOOEPEUCYSPI-SECBINFHSA-N 200.257 2.168 0 40 BEAB C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(N)=O 96492354 FJKYFTDBGHQDKQ-RNFRBKRXSA-N 244.697 2.004 0 40 BEAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCCC1 72025388 XSTGZKPQSZFJFN-NSHDSACASA-N 248.326 2.129 0 40 BEAB COC[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C 84636741 OQPPEHNTKPKYFM-VHSXEESVSA-N 215.337 2.210 0 40 BEAB CCCCNC(=O)N1CCC[C@@]1(C)CCCO 95942753 QGFDLHWIEIPHCI-ZDUSSCGKSA-N 242.363 2.123 0 40 BEAB c1cnc(N[C@@H]2CCOC3(CCCC3)C2)cn1 95970856 IIJRVOMVFSFVIT-LLVKDONJSA-N 233.315 2.380 0 40 BEAB CCOC(=O)c1ccc(C)nc1C1CC1 126482137 CHLGFVITQUGGKP-UHFFFAOYSA-N 205.257 2.444 0 40 BEAB Brc1ccccc1[C@@H]1CNCCO1 37405044 DYZGCDVZBPGIJL-JTQLQIEISA-N 242.116 2.110 0 40 BEAB in-vitro c1cncc(CN2CCC(c3ccn[nH]3)CC2)c1 72351187 MKOWSSJVMBNRLT-UHFFFAOYSA-N 242.326 2.184 0 40 BEAB CC(C)(C)c1nc(Cl)nc(Cl)n1 34530210 MKOAJICWQJCFMS-UHFFFAOYSA-N 206.076 2.476 0 40 BEAB COc1ccc(C(F)(F)F)cc1CO 39712970 CWHHRWFFYKXTBK-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB in-vitro CCOC(=N)c1ccc(Br)cn1 125133515 APLNHTWEMFDNGN-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB CN(CC(=O)N1CCCCC1)c1ccccc1 33005451 ZEULBUZDQBZXEN-UHFFFAOYSA-N 232.327 2.135 0 40 BEAB N=C(N)Cc1ccc(F)cc1C(F)(F)F 228969512 BNBMBNJIRRFPCS-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB CCN(CC)c1cc(N)c(Cl)cc1N 45891207 AWUUHJUEXZQSPK-UHFFFAOYSA-N 213.712 2.351 0 40 BEAB Cc1cc(-c2nn3c(C(C)C)nnc3s2)on1 95473161 URLUKAIAKSGEES-UHFFFAOYSA-N 249.299 2.273 0 40 BEAB Cc1ccccc1COC(=O)c1cocn1 97238645 CWYNRTACIGDANY-UHFFFAOYSA-N 217.224 2.340 0 40 BEAB OC1(c2ccncc2Br)CCC1 98180524 LPEXMEMRRQVXBQ-UHFFFAOYSA-N 228.089 2.216 0 40 BEAB COc1ccc(C[C@@H]2CN(C(C)C)CCO2)cc1 257227352 FOWXUCQHVIJVFE-OAHLLOKOSA-N 249.354 2.347 0 40 BEAB CC(C)n1ncc2c1C[C@H](C(=O)O)CCC2 575424042 JUIHVOBXTYCHOF-SECBINFHSA-N 222.288 2.044 0 40 BEAB CN(C)c1cc(-c2csc(CO)c2)ccn1 904849945 SKNGMZKYMNQXGX-UHFFFAOYSA-N 234.324 2.368 0 40 BEAB CCC1(C(=O)Nc2cc(C)cc(O)n2)CC1 910601558 ZLWCWIXPPWURII-UHFFFAOYSA-N 220.272 2.224 0 40 BEAB COCc1ccccc1NC(=O)C1CCOCC1 58342928 PZYGLJWQBDOGRU-UHFFFAOYSA-N 249.310 2.198 0 40 BEAB N[C@H](COC(F)(F)F)c1ccccc1 68576567 LRUXMHNYRNKJEM-MRVPVSSYSA-N 205.179 2.223 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCc2cccnc2)c1 69491524 WYCRWWYXPPPNQA-CHWSQXEVSA-N 244.342 2.326 0 40 BEAB FC(F)(F)c1ccc(N2CCCC2)nn1 40448199 RRGVSKNPKBUIPD-UHFFFAOYSA-N 217.194 2.096 0 40 BEAB COc1ccc(CC(=O)OCC(C)C)cc1 1615241 GFCCKWFZGFCPNU-UHFFFAOYSA-N 222.284 2.437 0 40 BEAB O=c1cc(C(F)(F)F)c2c(C3CC3)noc2[nH]1 12398518 WJEIJTKVKRCVSV-UHFFFAOYSA-N 244.172 2.412 0 40 BEAB c1cc(N2CCN(CC3CCC3)CC2)ccn1 89884962 ZZOWUDHZTUHKRL-UHFFFAOYSA-N 231.343 2.004 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cccnc1 5631787 DOBAEHHTUBAASS-LBPRGKRZSA-N 204.273 2.155 0 40 BEAB biogenic,in-vitro C=C(c1ccccc1)N1N=N[C@@H]2CCO[C@H]21 1579983 YFBDYCQTMWEQOA-VXGBXAGGSA-N 215.256 2.455 0 40 BEAB CC(=O)OC/C(C)=C\C[C@H](C)COC(C)=O 1631201 WJQFKEKGHLXYOP-BSKOKIOFSA-N 228.288 2.085 0 40 BEAB CCC(=O)OCCCCCCOC(=O)CC 1687133 RZOTVHJYCPTNCM-UHFFFAOYSA-N 230.304 2.453 0 40 BEAB C[C@@H]1CO[C@H](c2ccc(N(C)C)cc2)O1 1687905 JJXDAGJXGOZEGJ-SKDRFNHKSA-N 207.273 2.187 0 40 BEAB COC(=O)C[C@@H]1CCN(Cc2ccccc2)C1 4202964 YYQIUMJBKYPSLC-ZDUSSCGKSA-N 233.311 2.072 0 40 BEAB Cc1sc(N)nc1-c1ccc2c(c1)CC(=O)N2 4930029 HABMBOTZBWCROV-UHFFFAOYSA-N 245.307 2.195 0 40 BEAB CC(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)N2 5486894 PVVFDTPIAVSAEM-SSDOTTSWSA-N 218.256 2.032 0 40 BEAB CC1(C)N=NC2([S@]1=O)C(C)(C)C(=O)C2(C)C 6263391 VXPWBFXELIXDQW-MRXNPFEDSA-N 242.344 2.268 0 40 BEAB CCCOc1ccc(C(=O)NCC)cc1 6324278 AGTSKQCFQIEJGA-UHFFFAOYSA-N 207.273 2.225 0 40 BEAB CC(C)C(=O)N[C@H]1CCOc2ccccc21 7214560 UATCJXIKSGNDLU-NSHDSACASA-N 219.284 2.282 0 40 BEAB CCCc1nnc(SCc2nnc(C)o2)o1 7604729 JKDXCABZORLDGP-UHFFFAOYSA-N 240.288 2.006 0 40 BEAB C/C=C(/Br)C(=O)N1CCCCC1 8649660 SURPGBVFTUSPLH-KRXBUXKQSA-N 232.121 2.298 0 40 BEAB CCCn1cc2c(C(F)(F)F)cc(=O)[nH]c2n1 12398130 YLBHCCPZRYXJDO-UHFFFAOYSA-N 245.204 2.153 0 40 BEAB O=C(c1cc(Br)c[nH]1)N1CCCC1 12924416 KUHKMOJHPPUYRV-UHFFFAOYSA-N 243.104 2.013 0 40 BEAB in-vitro Cc1cc(C)c(CC2=NCCN2)c(C)c1 13779802 DUHARNKZLBMPBS-UHFFFAOYSA-N 202.301 2.156 0 40 BEAB COCCCNCc1ccc2[nH]ccc2c1 15424208 HHTFNKMKVNLIGN-UHFFFAOYSA-N 218.300 2.294 0 40 BEAB C[C@@H]1CN(c2ccc(C=O)cc2)C[C@@H](C)O1 20078935 OGVXOBJOPFDWIY-GHMZBOCLSA-N 219.284 2.113 0 40 BEAB NCc1cccnc1N1CCc2ccccc21 22174424 VYJNMKUIENWOAI-UHFFFAOYSA-N 225.295 2.235 0 40 BEAB CC(C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 26932660 AFSPZNZIHUBPDR-MRVPVSSYSA-N 222.288 2.326 0 40 BEAB O=C(c1ccc(F)cc1F)N1CCCC1 28210713 OXZQQDSHKHQJGR-UHFFFAOYSA-N 211.211 2.201 0 40 BEAB CSCC(=O)Nc1ccc(C)cc1F 32960636 GGFMYEFNIQWJOZ-UHFFFAOYSA-N 213.277 2.436 0 40 BEAB CC1(C)OC(=O)C[C@@H]1CC(=O)Nc1ccccc1 35325918 WDYQWWGMVXNMHB-JTQLQIEISA-N 247.294 2.357 0 40 BEAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CCO1 37493040 RYPPOAWYXNPHNU-LBPRGKRZSA-N 237.274 2.077 0 40 BEAB O=C(NCc1cccc(F)c1)c1cccnc1 43746178 OQVAUSJCIOAMBD-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB Cc1cc(NC(=O)CSc2ccccc2)[nH]n1 48602405 UIQHFKVHNRIVPE-UHFFFAOYSA-N 247.323 2.449 0 40 BEAB COc1ccc(C(=O)O)c(OCC(C)C)c1 49854382 MILGKKTWSJMZRN-UHFFFAOYSA-N 224.256 2.428 0 40 BEAB in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 58230697 QVDCHSZTIPFJNY-PWSUYJOCSA-N 225.332 2.108 0 40 BEAB CCc1noc(CN(C)Cc2cccc(F)c2)n1 58596028 ACTFOOSZUHXAAP-UHFFFAOYSA-N 249.289 2.403 0 40 BEAB NC[C@]1(CO)C[C@H]1c1cc(Cl)cc(Cl)c1 62713763 VNCYDWKHUUKZGP-QWRGUYRKSA-N 246.137 2.418 0 40 BEAB FC(F)CNc1cccc(C2CCNCC2)n1 72386915 FIAASEBWDFPZNB-UHFFFAOYSA-N 241.285 2.226 0 40 BEAB CC(C)[C@@H](C(=O)O)c1ccccc1C(=O)O 82290143 SFGVPYNLDDZITO-SNVBAGLBSA-N 222.240 2.209 0 40 BEAB COCc1ccc([C@@H]2NCCS2)cc1 83969477 PWXPFEHVXMZPJU-LLVKDONJSA-N 209.314 2.168 0 40 BEAB Clc1nc(Cl)c2scnc2n1 85224466 ZWONAZRQCSMTFK-UHFFFAOYSA-N 206.057 2.393 0 40 BEAB O=C(O)c1nc2cccc(Br)c2[nH]1 89195108 UPZCSZCAKGDJMU-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CC(=O)N1c2ccccc2N(C)CC[C@@H]1C 89930019 GJUKTYBODLUOKD-JTQLQIEISA-N 218.300 2.268 0 40 BEAB Nc1ccc2nc(Cc3ccccc3)[nH]c2n1 94264378 HANWXMWUEUWSLT-UHFFFAOYSA-N 224.267 2.131 0 40 BEAB O=S(=O)(Nc1ccsc1)C(F)(F)F 96190544 KKUAAWPLPIQAGP-UHFFFAOYSA-N 231.220 2.010 0 40 BEAB CCO[C@@H](C)C(=O)N(C)C1CCC(C)CC1 97293591 XRFOYHRGYOATND-CXQJBGSLSA-N 227.348 2.449 0 40 BEAB CC(C)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 115006389 FJHPEVGAZVQMHL-ZJUUUORDSA-N 229.320 2.013 0 40 BEAB COC(=O)c1ccc(F)c(Cn2ccnc2C)c1 182025713 WCXRBGBFJYUXFW-UHFFFAOYSA-N 248.257 2.166 0 40 BEAB CCOC(=O)c1ccc2oc(C)nc2c1 199699911 WPECOOGENQLURX-UHFFFAOYSA-N 205.213 2.313 0 40 BEAB Cc1c(N)ccc(F)c1Br 215194789 TZUSNHJXCNDHHW-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB in-vitro Cc1ccc2cc3c(nc2c1N)OCC3 238497096 YRKWYDSDZGRMHM-UHFFFAOYSA-N 200.241 2.060 0 40 BEAB COC(=O)c1cccc(F)c1OC(C)C 382684122 GITIPWUIEUXWBN-UHFFFAOYSA-N 212.220 2.400 0 40 BEAB FCCn1ccc(COCCC(F)(F)F)n1 408715866 GAQRTVCARLRFHR-UHFFFAOYSA-N 240.200 2.322 0 40 BEAB CC(=O)N1[C](C(C)C)CSC1=S 1560411816 FJBLZLJRHZBBQT-UHFFFAOYSA-N 202.324 2.055 0 40 BEAB CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1O 157817 CDZGGLGTYSVPPX-UHFFFAOYSA-N 236.267 2.456 0 40 BEAB Cc1nc2ccccc2c(=O)n1-c1nccs1 1576768 LPAAZEGHCXFXQM-UHFFFAOYSA-N 243.291 2.151 0 40 BEAB CNC(=O)c1ccccc1CC1(O)CCCCC1 1632656 HGBRZZPZXIUIRX-UHFFFAOYSA-N 247.338 2.284 0 40 BEAB COC(=S)SCSC(=S)OC 1733718 TUKFIWMNLHBRAS-UHFFFAOYSA-N 228.385 2.273 0 40 BEAB CCCC[C@](CC)(SCC(=O)O)C(=O)O 2035528 YIVCCDCLEJXPLM-JTQLQIEISA-N 234.317 2.228 0 40 BEAB COc1ccc(-c2ccnc3ccnn23)cc1 2788146 FTNFIVVUCDEENS-UHFFFAOYSA-N 225.251 2.405 0 40 BEAB CCC[C@H](C)N[C@@H](C)C(=O)NC1CCCC1 3338034 HZNSQZSYXOESAW-QWRGUYRKSA-N 226.364 2.212 0 40 BEAB O=Cc1cc2cc3c(cc2nc1Cl)OCCO3 3882305 QRUKDHRPKVWTHQ-UHFFFAOYSA-N 249.653 2.472 0 40 BEAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1 4018452 MOABDNRPQYWPMS-TUAOUCFPSA-N 207.317 2.435 0 40 BEAB CN1CCC[C@H](OC(=O)c2ccc(F)cc2)C1 4616646 GVIXVJQTIQOTOL-LBPRGKRZSA-N 237.274 2.077 0 40 BEAB O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)O 4771972 ZUYLPFIRBGKDRV-QMMMGPOBSA-N 242.658 2.058 0 40 BEAB CNCc1cccc(I)c1 6481833 BESWRCDFFVBCRG-UHFFFAOYSA-N 247.079 2.011 0 40 BEAB CC(C)CSc1ncnc2nc[nH]c12 8581276 HBFAIQHZZSJMFS-UHFFFAOYSA-N 208.290 2.101 0 40 BEAB N[C@H](c1cccnc1)c1ccc(F)c(F)c1 8699691 ODJVXCGZOSNFSS-LBPRGKRZSA-N 220.222 2.408 0 40 BEAB in-vitro CC[C@H](C)NC(=O)CSc1nc(C)cs1 9450648 QTFWYBUEESSNIS-ZETCQYMHSA-N 244.385 2.458 0 40 BEAB CC1(C)OC(=O)O/C1=C\Br 12402015 SLWVGAOIRONSFA-ARJAWSKDSA-N 207.023 2.168 0 40 BEAB Cc1cc(C(=O)O)n(-c2ccc(F)cc2F)n1 14985281 STEFYHIRQPGPKF-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB Fc1ccc([C@@]23CCCN2CCCN3)cc1 19329206 IBGMNLQEZMKMKB-CYBMUJFWSA-N 220.291 2.068 0 40 BEAB CC(C)C[C@H](N)c1nc2ccccc2n1CCO 19734981 HTEFSTNSHIIFFW-NSHDSACASA-N 247.342 2.075 0 40 BEAB Cc1cc(C)nc(Nc2cccc(CO)c2)n1 32908936 GTGUOQLGWCOYEW-UHFFFAOYSA-N 229.283 2.329 0 40 BEAB C[C@@H]1CNCC[C@]1(C)c1cccc(O)c1 34369931 HXZDAOSDNCHKFE-MFKMUULPSA-N 205.301 2.279 0 40 BEAB CC[C@@H](C)C(=O)NCc1ccc(COC)cc1 36394038 YYDDPWLTIBEVTD-LLVKDONJSA-N 235.327 2.495 0 40 BEAB CC(C)(C)OC(=O)CNC1CCCCC1 37390669 DVYPSLMUDOCIFD-UHFFFAOYSA-N 213.321 2.250 0 40 BEAB Cc1ncsc1C(=O)Nc1ccccn1 40529901 DEOWQQOLNJGCOD-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CN(CC1CCOCC1)c1ccc(N)cc1F 42783238 PSGKMAAVAOLFSH-UHFFFAOYSA-N 238.306 2.271 0 40 BEAB CCOC(=O)C(=O)c1cc(C)cc(Cl)c1 43504306 IEJANNCNKPVXOB-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB Cc1c(CO)oc2c1[C@H](O)CC(C)(C)C2 57348719 YSABVPPWBWIUAH-MRVPVSSYSA-N 210.273 2.086 0 40 BEAB C[C@@H](Nc1ncccn1)c1ccc2c(c1)OCO2 58368050 JJEGVYTXKKLKMD-SECBINFHSA-N 243.266 2.378 0 40 BEAB FC(F)Oc1cc(Br)ccn1 59581566 QKZHLBZNEBCOLM-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB in-vitro CCCNc1ncc(CNC(C)(C)C)cn1 62717671 KVZYEYFNIQCWRA-UHFFFAOYSA-N 222.336 2.187 0 40 BEAB Cc1nc(Cl)c(C(N)=O)c2c1CCCC2 62720749 OTVYGYXHAWYMCP-UHFFFAOYSA-N 224.691 2.021 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 65412585 XYQZYGFBKBRIFA-SNVBAGLBSA-N 244.298 2.252 0 40 BEAB COCCCNC(=O)Cc1cccc(Cl)c1 67899735 OZWZVSZGIYVEGE-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB CCN(CC)c1ncccc1[C@H]1CCCN1 72212879 KFDLTBPAVJUFIQ-GFCCVEGCSA-N 219.332 2.352 0 40 BEAB CC(C)CCNC(=N)NCc1ccccc1 72280334 RWADCFLZOHSKFU-UHFFFAOYSA-N 219.332 2.347 0 40 BEAB O=C(Nc1ccccc1)N(CCCO)C1CC1 72289080 SEFOQXWGCYLNJQ-UHFFFAOYSA-N 234.299 2.065 0 40 BEAB Cc1nnc2ccc(C(F)(F)F)cn12 73647528 AFPARSJWGXPLDN-UHFFFAOYSA-N 201.151 2.057 0 40 BEAB COc1ccc(C2([C@H](C)O)CC2)c(OC)c1 84420457 JQVABKFMPMWDTD-VIFPVBQESA-N 222.284 2.116 0 40 BEAB O[C@H]1NC=Nc2c1sc1ccccc21 85432393 JKAQWUSLPSPSOL-SNVBAGLBSA-N 204.254 2.155 0 40 BEAB Fc1ccc(Cl)c(OCC2OCCO2)c1 95733982 TVWQLFZZPYPUHM-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB O=C(OCCC1CCC1)C1=COCCC1 96008783 IWXQTFTVZFPYRV-UHFFFAOYSA-N 210.273 2.414 0 40 BEAB CC(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 96011821 WABLMYICMOUITO-UHFFFAOYSA-N 244.298 2.077 0 40 BEAB O=CN1CCC2(CCc3ccccc32)CC1 96157393 QPNVMENHOWUOJZ-UHFFFAOYSA-N 215.296 2.123 0 40 BEAB CCCN(CCCCN)Cc1ccco1 96523769 FLXPLGAYHVAPNT-UHFFFAOYSA-N 210.321 2.231 0 40 BEAB Cc1cc(C)nc(NC(=O)Nc2cnn(C)c2)c1 97143086 NEOZLRHDZHBCOI-UHFFFAOYSA-N 245.286 2.076 0 40 BEAB CCCN(C)Cc1nc(-c2ccc(O)cc2)no1 97164371 UILRTMOJPKUAKN-UHFFFAOYSA-N 247.298 2.284 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@@H]2[C@H](C)N)c1 108019093 DPZMVJPIWKFHMT-JMJZKYOTSA-N 221.300 2.155 0 40 BEAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CO 149398665 RAHRDDGHHDIGTE-JTQLQIEISA-N 241.331 2.016 0 40 BEAB CCC(=O)NCc1ccc(-n2ccnc2C)cc1 225358536 CIGMUFWLBKSSKN-UHFFFAOYSA-N 243.310 2.207 0 40 BEAB CC1(C)C[C@@]23CC(=O)C[C@@H]2[C@H]1CC[C@H]3C(=O)O 253390536 RBEOLCQUJOIXDY-FBKDDSFISA-N 236.311 2.493 0 40 BEAB biogenic,in-vitro O=C(C1CCCC1)N1CCC(F)(F)C1 335723993 GELOUDQMXOMNMM-UHFFFAOYSA-N 203.232 2.044 0 40 BEAB Clc1ccc2c(c1)[C@H](NCc1cn[nH]c1)CO2 675552052 DMKSDCHEJCOODN-LLVKDONJSA-N 249.701 2.286 0 40 BEAB Clc1ccnnc1O[C@@H]1CCCCO1 1857793075 CTGCRGWCGWUAOZ-MRVPVSSYSA-N 214.652 2.035 0 40 BEAB O=C1CCSc2nc3ccccc3n21 1238019 PMSZMJNDANATMV-UHFFFAOYSA-N 204.254 2.172 0 40 BEAB O=C(NCCc1cccs1)c1ccco1 1428294 HAVNWGPRWYBLEM-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB O=C(O)CCC(=O)OCCCc1ccccc1 2552056 HITVXFZLGRACID-UHFFFAOYSA-N 236.267 2.027 0 40 BEAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCCC1 3344844 RVNVLHRPTUMGMO-JTQLQIEISA-N 236.290 2.249 0 40 BEAB C[C@H](Sc1ccccc1Cl)C(N)=O 3380625 PFFRQFUJSGGJBT-LURJTMIESA-N 215.705 2.306 0 40 BEAB COc1ccccc1[C@@H](CC(N)=O)c1ccco1 5911668 OOVPPLWHQJVSSB-LLVKDONJSA-N 245.278 2.296 0 40 BEAB biogenic CC(C)(C)OC(=O)c1cnc(Cl)cn1 5950500 HVVYCXYNSSYJOR-UHFFFAOYSA-N 214.652 2.085 0 40 BEAB in-vitro Cc1cccc(N[C@@H](C)C(=O)NC2CC2)c1C 7042215 ITMJQCYBQFWPRA-NSHDSACASA-N 232.327 2.382 0 40 BEAB CN1C(=O)c2ccccc2NC12CCSCC2 12537528 NHOSAILSAKXYQI-UHFFFAOYSA-N 248.351 2.407 0 40 BEAB CCC(=O)Nc1cc(OC)c(OC)cc1C 13019576 NSAPSPWIRMCEDP-UHFFFAOYSA-N 223.272 2.361 0 40 BEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(C)(C)C 13320713 LVDUZNUYEZFSMY-SNVBAGLBSA-N 241.356 2.400 0 40 BEAB CCS(=O)(=O)N[C@@H]1CCCc2ccccc21 13939641 NCZRUPLOQLHCTN-GFCCVEGCSA-N 239.340 2.003 0 40 BEAB CCCC(=O)Nc1ccccc1C(=O)NCC 14012864 NPAXDSMDDCEXJO-UHFFFAOYSA-N 234.299 2.175 0 40 BEAB CCCc1cc(OC)c2c(c1OC)OCO2 14987582 XZUGLUDURMEBQE-UHFFFAOYSA-N 224.256 2.385 0 40 BEAB Cc1ccc(NC(=O)c2ccccn2)cc1N 19511776 QYHREDSYRSQLNY-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB COc1ccc(Cl)cc1NC(=O)N(C)C 20215488 YVPWUZSOMUNYFR-UHFFFAOYSA-N 228.679 2.442 0 40 BEAB Fc1ccc2ncn(C3CCNCC3)c2c1 20445452 ZIJONFHYOCVDSO-UHFFFAOYSA-N 219.263 2.100 0 40 BEAB OC1=Nc2n[nH]cc2[C@H](c2ccc(O)cc2)C1 20732785 KEAARDSWPOQPFH-VIFPVBQESA-N 229.239 2.239 0 40 BEAB NC[C@H](c1c(F)cccc1F)N1CCCC1 22220246 XOVXXQWEUKCKQA-LLVKDONJSA-N 226.270 2.060 0 40 BEAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1 24752704 GAUPNMFTJPFSET-UHFFFAOYSA-N 243.310 2.218 0 40 BEAB Cc1ccccc1[C@@H]1CCCN1CCN 32553278 CEDPLZOCGRVWOY-ZDUSSCGKSA-N 204.317 2.091 0 40 BEAB Cc1ccc2c(c1)S[C@@H](C(=O)N(C)C)C2 32904171 PPNSJCMRJVSDOI-LLVKDONJSA-N 221.325 2.100 0 40 BEAB CCOP(=O)(OCC)[C@H](C(=O)O)C(C)C 34581887 NCANBIDOQIQFRJ-QMMMGPOBSA-N 238.220 2.362 0 40 BEAB Cc1nn(C)c2ncc(NCC3CC3)cc12 37084857 PKMKOIHZZIFDMQ-UHFFFAOYSA-N 216.288 2.099 0 40 BEAB CCOc1cccc(CN[C@H]2CCC[C@@H]2O)c1 37690270 FSBDQZLIVYFOAR-KBPBESRZSA-N 235.327 2.088 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCCc1ccccn1 40465339 PAYUCKKNRZWOOF-GFCCVEGCSA-N 230.311 2.097 0 40 BEAB CCc1nc(NC(=O)c2cnccn2)sc1C 40539560 LRSMUIUOGCADDE-UHFFFAOYSA-N 248.311 2.056 0 40 BEAB Cc1ccc(C(C)C)c(OC2CNC2)c1 42769944 ZXXGRAGCTGLMPB-UHFFFAOYSA-N 205.301 2.469 0 40 BEAB Cn1nc(N)c2ccc(C(F)(F)F)cc21 42784454 JZDIWZOIJCGXHI-UHFFFAOYSA-N 215.178 2.174 0 40 BEAB O=C(c1cccc(CN2CCOCC2)c1)C1CC1 43211049 CFACLAJVQPHDFX-UHFFFAOYSA-N 245.322 2.112 0 40 BEAB CCCc1cc(C(=O)NC(C)(C)CC)[nH]n1 44249380 YVMATGIXSCLEHX-UHFFFAOYSA-N 223.320 2.281 0 40 BEAB CCC(=O)N(CC)c1c(F)cccc1C(=O)O 44965658 KNOUQECSGFHXSJ-UHFFFAOYSA-N 239.246 2.287 0 40 BEAB Cc1cc(C)cc(C[C@@H](C(=O)O)N2CCCC2)c1 57536422 XFOJOEYBLHBZBE-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB Cc1ccc(CNC(=O)OCC(F)(F)F)cn1 57992107 HPAIDWPIEGCJQI-UHFFFAOYSA-N 248.204 2.179 0 40 BEAB C[C@H]1CCC[C@@H](NC(=O)CCCn2ccnc2)C1 58107447 OOSFNDWFGAIFOS-QWHCGFSZSA-N 249.358 2.358 0 40 BEAB Cc1ccc(CC(=O)NCC(F)(F)F)cc1 61492607 FPQVJWFZSHFEHS-UHFFFAOYSA-N 231.217 2.216 0 40 BEAB CC(C)(C)c1ccc2oc(NN)nc2c1 62523726 JAXANNCDMGHLIQ-UHFFFAOYSA-N 205.261 2.411 0 40 BEAB CCc1c(-c2ccccc2)n[nH]c1C(=O)O 66111457 QIZILENABUNMRO-UHFFFAOYSA-N 216.240 2.337 0 40 BEAB Cn1cc(CCN)c2ccc(Cl)cc21 68576880 NMJHXWWLVGWIEP-UHFFFAOYSA-N 208.692 2.333 0 40 BEAB in-vitro C[C@@H]1COCCN1C/C=C/c1ccccc1 69417843 HBMOHTCBAWZCAC-OQHXTRMZSA-N 217.312 2.421 0 40 BEAB NC1(c2ccc(Br)s2)CC1 70598031 LLCXHEISXBDLBY-UHFFFAOYSA-N 218.119 2.458 0 40 BEAB in-vitro CCN(C)C(=O)c1cc(-c2cccs2)n[nH]1 71969290 MRJZIUHRZPIXCO-UHFFFAOYSA-N 235.312 2.230 0 40 BEAB c1cc(CN2CCC[C@H](c3ccn[nH]3)C2)ccn1 72187763 KGQVCDKEBFLIOC-ZDUSSCGKSA-N 242.326 2.184 0 40 BEAB O=C(NCC1CCOCC1)OCc1ccccc1 74861155 DJBITRACLNWKTC-UHFFFAOYSA-N 249.310 2.339 0 40 BEAB C[C@](O)(c1ccc(C(=O)O)cc1)C(F)(F)F 75846324 BEPLLUQZLHVCMW-VIFPVBQESA-N 234.173 2.155 0 40 BEAB C[C@]1(CO)CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 79109997 YVHDZSLHMGJAGE-SGMGOOAPSA-N 237.343 2.010 0 40 BEAB Cc1ccc(N)c(SCCC(=O)O)c1 85929945 MSVMMVVOLSXVTI-UHFFFAOYSA-N 211.286 2.144 0 40 BEAB in-vitro Cc1ccc(CC(=O)O[C@@H]2CCSC2)o1 95444284 KBGAECSLEDTDBC-SNVBAGLBSA-N 226.297 2.179 0 40 BEAB CCC[C@H](C)CC(=O)OCc1cnns1 95461479 QHJNEBRHHGLIFP-QMMMGPOBSA-N 228.317 2.408 0 40 BEAB O=C(Nc1cc(-c2ccncc2)no1)C1CC1 96183271 HQMWUUXIJHQOSE-UHFFFAOYSA-N 229.239 2.085 0 40 BEAB c1ccc2c(c1)[C@@H]1CNC[C@@H]1[C@H]2OCC1CC1 96251687 XQSKRQAHFNXIQR-KKUMJFAQSA-N 229.323 2.471 0 40 BEAB CC(C)OCCC(=O)Nc1ccc(O)cc1F 96500461 LPSNPHZYHTWWQP-UHFFFAOYSA-N 241.262 2.285 0 40 BEAB COc1ccc([C@]2(O)CCC[C@@](C)(O)C2)cc1 96509981 SOFKAVUNAOIBFY-KGLIPLIRSA-N 236.311 2.208 0 40 BEAB CCOC(=O)/C=C(/C)Nc1ccc2c(c1)OCO2 100218080 FHTMMKBGLHDNRM-TWGQIWQCSA-N 249.266 2.294 0 40 BEAB CCOC(=O)/C=C(\N)Nc1ccc(Cl)cc1 100286266 JZDYSHZCGOIOAE-JXMROGBWSA-N 240.690 2.115 0 40 BEAB CCOc1ccccc1C1CC(=O)CC(=O)C1 100556062 RWNZUMBWRXGNCO-UHFFFAOYSA-N 232.279 2.491 0 40 BEAB c1[nH]nc2c1CCC[C@H]2OCCN1CCCCC1 194442546 WMRHAHJRHYYJIM-CYBMUJFWSA-N 249.358 2.290 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)CCN 195542427 UZUBWYDNMRWJJB-NEPJUHHUSA-N 226.364 2.008 0 40 BEAB CCn1nccc1CCOC(=O)c1occc1C 195577876 QSEJSVXRELGIIG-UHFFFAOYSA-N 248.282 2.204 0 40 BEAB CNc1nc([C@@]2(C)CCCNC2)cn2cccc12 205694440 AOIYOUVHDIUUAD-AWEZNQCLSA-N 244.342 2.017 0 40 BEAB N[C@H](CC(=O)O)Cc1cccc(Cl)c1Cl 238617596 JAKDSGICVSSLBQ-ZETCQYMHSA-N 248.109 2.338 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](CO)C[C@H](C(F)(F)F)C[C@H]2O1 242390172 ABUHJJZZXMNMQT-SOYHJAILSA-N 238.249 2.361 0 40 BEAB CC(=O)[C@]1(C)CN[C@H](c2ccccc2)C1 254286926 ZBZSXLZTPNUVRC-STQMWFEESA-N 203.285 2.316 0 40 BEAB NC[C@@H](C[C@@H](O)c1ccccc1)C(F)(F)F 256053200 QMLDBSDPWZVVKE-NXEZZACHSA-N 233.233 2.247 0 40 BEAB CC(Cl)(Cl)C(=O)N[C@@H]1CSC1(C)C 306390786 ZEQWBKRDFWMPRB-RXMQYKEDSA-N 242.171 2.190 0 40 BEAB CC(=O)OCC(=O)c1cccc(OC(F)F)c1 575360881 OJNUKELUJVVQDH-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB CN(C)[C@@H]1CCCC[C@H]1Oc1ccccn1 585654607 JQTHWLUXDKASSY-VXGBXAGGSA-N 220.316 2.333 0 40 BEAB Cc1ccc(Nc2nccn(C)c2=O)c(Cl)c1 1565522575 KUEFFODHFORZOR-UHFFFAOYSA-N 249.701 2.486 0 40 BEAB Cc1ccc(NC(=O)c2ccc(O)nn2)cc1C 547200 LNRAQPTZXGSGLH-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB CN(C)C(=O)COc1ccc(Cl)cc1Cl 555588 OCZUDNHTFSZUDM-UHFFFAOYSA-N 248.109 2.460 0 40 BEAB CCCNc1ncc2ncn(CCC)c2n1 1677597 NSIIYUZBJILXTR-UHFFFAOYSA-N 219.292 2.058 0 40 BEAB CCOC(=O)Nc1cc(F)ccc1OC 1682762 HFIIAOFTWNZLKU-UHFFFAOYSA-N 213.208 2.403 0 40 BEAB C[n+]1c(C[n+]2ccccc2)ccc2ccccc21 1685125 LGHAWRGRLWREPH-UHFFFAOYSA-N 236.318 2.000 0 40 BEAB C[C@H]1CCc2ccccc2N1C1=NCCO1 1722338 FRIPHYNKQLRIGJ-JTQLQIEISA-N 216.284 2.214 0 40 BEAB CCOP(=O)(OCC)O[C@]1(C)CCCN1 2583538 UTGYNNHVLXIXGN-SECBINFHSA-N 237.236 2.284 0 40 BEAB O=C(O)[C@]1(C/C=C/c2ccccc2)CCCN1 4241176 DLUNFQZLCPXMBC-PXYYCUNGSA-N 231.295 2.297 0 40 BEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 4291314 YWWJNWUVNHXUKS-IYSWYEEDSA-N 219.210 2.499 0 40 BEAB COC(=O)[C@@H]1[C@@H](C)[C@@H]2CCCC[C@@H]2C[C@@]1(C)O 5395547 YFOUZMQDXMJLSG-XJBAAKRRSA-N 240.343 2.373 0 40 BEAB CCOC(=O)c1c(C)c2ccccc2[nH]c1=O 6665511 ACXKEQLFCAGHAJ-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB CCOC(=O)N1C=Cc2c[nH]cc2C(C)=N1 7043798 YAXCLBMZYCYTSL-UHFFFAOYSA-N 219.244 2.182 0 40 BEAB CCN1C(=O)S[C@H](Nc2ccccc2)C1=O 8794026 VYZOGGLDVOBBOR-VIFPVBQESA-N 236.296 2.140 0 40 BEAB Cc1n[nH]c(SCc2cn3ccccc3n2)n1 12541056 JHPAZVSYADUTIA-UHFFFAOYSA-N 245.311 2.053 0 40 BEAB Nc1nnc(/C=C\c2ccc(Cl)cc2)o1 17176017 XXROIJAASWJIDO-UTCJRWHESA-N 221.647 2.476 0 40 BEAB Cc1ccc(NC(=O)c2cccnc2)cc1N 19426626 KEJVWGOGEAIFGY-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB NC(=O)c1ccc(CNc2ccccc2)cc1 20035866 PSWNXSKLBMXSPE-UHFFFAOYSA-N 226.279 2.398 0 40 BEAB CCOC(=O)c1nc2cc(C)ccc2[nH]1 26896748 DIAODMJRRGTCNJ-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB CCCn1nccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 32611535 BEIJMEXWJWAPKH-VXGBXAGGSA-N 249.358 2.411 0 40 BEAB OCc1cccn1Cc1ccccc1F 34080032 UMGAWYWPPNWBBV-UHFFFAOYSA-N 205.232 2.168 0 40 BEAB CC[C@@H](N)C(=O)N[C@H](C)c1cc(C)sc1C 37002199 QGTMAQOCPCVLBK-LDYMZIIASA-N 240.372 2.279 0 40 BEAB Cc1ccc(F)cc1CN1CCC(N)CC1 38539892 YSALZUKELBXGIJ-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB Nc1cc(Cl)c(Cl)c(C(=O)O)c1 39086962 RYCVUGZLAQJJLC-UHFFFAOYSA-N 206.028 2.274 0 40 BEAB in-vitro CCCn1ccnc1S[C@H](CC)C(=O)OC 40479376 ZGJVGKJVGNFVSI-SECBINFHSA-N 242.344 2.337 0 40 BEAB Nc1cc(COc2ccccc2Cl)no1 41244983 QORUCAFANHUJNE-UHFFFAOYSA-N 224.647 2.489 0 40 BEAB NCc1ccc(C(F)(F)F)nc1Cl 44249999 ZXXYRFCKVPZVQU-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB CC[C@H](NC(=O)COC)c1ccc(C)cc1 44867144 GOQOOOLHLYKMGW-LBPRGKRZSA-N 221.300 2.209 0 40 BEAB O=C(NCc1ccco1)Nc1nccs1 44892211 PVBNSYLJNMMTRQ-UHFFFAOYSA-N 223.257 2.058 0 40 BEAB CCCCN(CC(=O)O)C(=O)OC(C)(C)C 57340733 GVIPZPIGOBQFNC-UHFFFAOYSA-N 231.292 2.108 0 40 BEAB CCOC(=O)CC(C)(C)N1CCCCC1 70824328 YKOVINCNGDEVBP-UHFFFAOYSA-N 213.321 2.204 0 40 BEAB C[C@@H](NCc1cnn2ccccc12)C1CC1 70944290 PIBKIVXZXHMSKH-SNVBAGLBSA-N 215.300 2.222 0 40 BEAB Cc1cc([C@@H](C)N)cnc1N1CCCCC1 72222463 GVBYJKSIGGUDSV-LLVKDONJSA-N 219.332 2.400 0 40 BEAB COc1cccc(CN(C)c2nnc(C)s2)c1 75145260 NDPNRCKOKHHPIW-UHFFFAOYSA-N 249.339 2.492 0 40 BEAB CCOc1cccc(NC(=O)c2ccco2)n1 76093570 WKMNPXNUDAKRFR-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB Nc1ccc(-c2cccc3c2CNC3=O)cc1 80443271 SGVOZJFNWUICFJ-UHFFFAOYSA-N 224.263 2.179 0 40 BEAB CC(=O)c1cc(C(=O)O)ccc1OC(C)C 85390031 BUIHXCCPDBHYJZ-UHFFFAOYSA-N 222.240 2.375 0 40 BEAB in-vitro Cc1ccsc1[C@H](N)c1ccccn1 87021684 PQPXWIPBEKQGQD-SNVBAGLBSA-N 204.298 2.500 0 40 BEAB CC(=O)c1csc(C(=O)N2CCCC2)c1 89291935 YKZNXMUCYAELJX-UHFFFAOYSA-N 223.297 2.187 0 40 BEAB c1cc2nc(C3CCCC3)n(C[C@@H]3CO3)c2cn1 95096474 LEAQMMHRLHGKNI-LLVKDONJSA-N 243.310 2.488 0 40 BEAB CNC(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 95396870 ZWGPEAZNLXAPGK-STQMWFEESA-N 248.326 2.306 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(-c2ccc(F)cc2)n1 95534692 NTQMZAIAUCPJTP-JTQLQIEISA-N 234.278 2.267 0 40 BEAB CC(=O)OCCc1cc(F)cc(F)c1 95729976 BRDDXZLQZRHSFK-UHFFFAOYSA-N 200.184 2.070 0 40 BEAB CCOc1c(C(=O)OC)oc2ccc(N)cc12 96510859 VAAMESASOQRCEM-UHFFFAOYSA-N 235.239 2.200 0 40 BEAB COCCOc1cc(Cl)sc1C(=O)O 96510912 GFAQICTZFKQLBR-UHFFFAOYSA-N 236.676 2.125 0 40 BEAB CCCN(Cc1ccco1)C[C@H](N)C(C)C 96523743 GDLQTOPFBLUJDY-ZDUSSCGKSA-N 224.348 2.475 0 40 BEAB CCc1nc(CN[C@H](C)c2ccc(C)o2)no1 97373967 YSOUQIFDAXGCKC-SECBINFHSA-N 235.287 2.384 0 40 BEAB O=C(O)C(C(=O)O)c1cc(Cl)cc(Cl)c1 98179747 YJNQGHZDKPTGLL-UHFFFAOYSA-N 249.049 2.246 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(S)nnc12 100642313 FYDIWFZMQQDSND-KGFZYKRKSA-N 221.329 2.335 0 40 BEAB C[C@H]1COc2cc(Br)ccc2CN1 107254001 TWQBMUSGLKMLOM-ZETCQYMHSA-N 242.116 2.320 0 40 BEAB COCCN(Cc1ccccc1)c1ncns1 133503618 MJLWSWBJKKNPOT-UHFFFAOYSA-N 249.339 2.191 0 40 BEAB O=C(NCc1cccs1)NCC(F)(F)F 135878691 DLOPINGJWAUOSS-UHFFFAOYSA-N 238.234 2.110 0 40 BEAB O=C(NC1CCCCC1)c1cnc(C2CC2)nc1 222592121 JVKYMBFQBWRLLA-UHFFFAOYSA-N 245.326 2.417 0 40 BEAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)CN21 222639366 UYNCEWGAJVXHGO-KOLCDFICSA-N 233.340 2.320 0 40 BEAB CCNC(=O)c1cc(N)ccc1NC(C)(C)C 225454714 VCUCCPCNILXRFR-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB COc1ccc(CN2CCN[C@@H]3CCC[C@@H]32)cc1 225715677 PUTBBWFXENCFPK-CABCVRRESA-N 246.354 2.022 0 40 BEAB Nc1nc2nc([C@@H]3CCCCN3)ccc2s1 257198017 QISLSIFHCWIKJL-ZETCQYMHSA-N 234.328 2.088 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCN(CC2CCC2)C1 257258678 KVBQUYVWQREMIB-GFCCVEGCSA-N 219.332 2.308 0 40 BEAB C[C@@H]1C(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 575447713 MNYIQAQSZOMQSX-RNCFNFMXSA-N 239.315 2.223 0 40 BEAB Cc1cccc(OC[C@@H]2CCCCO2)n1 585654084 CLPZZIMLPLZNDF-NSHDSACASA-N 207.273 2.338 0 40 BEAB O=C(O)CCC(=O)Nc1cnc2ccccc2c1 417944 GSONHOBISRYTOK-UHFFFAOYSA-N 244.250 2.038 0 40 BEAB COC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 1456867 VQMNXJAGDIIVIN-SNVBAGLBSA-N 208.257 2.244 0 40 BEAB C[n+]1ccccc1-c1nc2ccccc2o1 1496998 CZTVNQCYMARJPV-UHFFFAOYSA-N 211.244 2.319 0 40 BEAB Cc1ccccc1[C@@H](C)NC1=NCCO1 1673724 LSAVKNWLWCADEB-SNVBAGLBSA-N 204.273 2.032 0 40 BEAB C[C@@H](NC(=O)SCc1ccccc1)C(=O)O 2045296 QRQAUDOFQQQIGA-MRVPVSSYSA-N 239.296 2.103 0 40 BEAB C[C@@H]1OCCS[C@@H]1C(=O)Nc1ccccc1 2169030 HTCPXRKFYZHPSL-ONGXEEELSA-N 237.324 2.146 0 40 BEAB CO[C@H]1C[C@H]2c3ccccc3[C@@H]1C(C)=[N+]2C 5121023 IUNKJZBVWKZYJV-IHRRRGAJSA-N 216.304 2.347 0 40 BEAB Cc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 5549054 MVQZCCWEAFWRJS-RYUDHWBXSA-N 233.311 2.244 0 40 BEAB COc1ccc(NC(=O)c2cccc(F)c2)cn1 6122761 LZKKNNBJRSRBCR-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CC(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 6262793 SHXBKNHCKTUWOF-JTQLQIEISA-N 249.310 2.291 0 40 BEAB O=C(Nn1cnc2ccccc21)c1ccccc1 12899124 IHQFDHLHUGZBIY-UHFFFAOYSA-N 237.262 2.420 0 40 BEAB Cc1cc(NN)c2cc(Cl)ccc2n1 13214723 TUDJVUZNZCVPTG-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB in-vitro C[C@H](O)CN(C)C(=O)Nc1cccc(Cl)c1 16576395 XGXGCTAXERNRCM-QMMMGPOBSA-N 242.706 2.185 0 40 BEAB CCOC(=O)c1c(C)oc2ccccc2c1=O 16683063 KBTZREOELHQMNO-UHFFFAOYSA-N 232.235 2.278 0 40 BEAB CCOc1ccc(-c2nnc(N)o2)cc1OCC 19390179 HSKPVJKAUZYNGJ-UHFFFAOYSA-N 249.270 2.116 0 40 BEAB in-vitro O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCNC1 19408834 YTLNUENEYTZKNZ-SECBINFHSA-N 238.718 2.278 0 40 BEAB CC(C)(C)c1noc([C@H]2CCCCN2)n1 20561188 VLQGKBVCBAOFFQ-MRVPVSSYSA-N 209.293 2.182 0 40 BEAB NC[C@@H](Cc1cccc2ccccc12)C(=O)O 20579684 KJCNFUSUQWTOIN-GFCCVEGCSA-N 229.279 2.042 0 40 BEAB C[C@@H](CN1CCCC1)NCc1ccccc1 22073588 STPNJXDWCNEGFA-ZDUSSCGKSA-N 218.344 2.261 0 40 BEAB O=c1[nH]cncc1Oc1ccccc1Cl 25986386 YDBINGAHUHNBNE-UHFFFAOYSA-N 222.631 2.216 0 40 BEAB Nc1nnc(-c2ccc(Cl)s2)o1 26423858 IISIIFVRALMMOS-UHFFFAOYSA-N 201.638 2.034 0 40 BEAB in-vitro Nc1ccc2nc(-c3cccnc3)oc2c1 26513937 VMTFHTQJCVKSIV-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CC(=O)Nc1nc2cc(Cl)ccc2[nH]1 28393017 IBDNYLLOUHKULY-UHFFFAOYSA-N 209.636 2.175 0 40 BEAB Cc1occc1C(=O)N[C@H](C)c1ccccn1 28782608 GYSGWOOJWQAPPI-SECBINFHSA-N 230.267 2.474 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)[C@@H]2CCC[C@@]21C 34482742 MDESFHIUYQLYTE-UFBFGSQYSA-N 225.288 2.323 0 40 BEAB Oc1ccc(-c2nnc3ccccn23)cc1 36437423 YMDIQUOFZQEJGT-UHFFFAOYSA-N 211.224 2.102 0 40 BEAB CC[C@H](O)CNCc1ccccc1Cl 37688450 AFNZQPSOTTWIOY-JTQLQIEISA-N 213.708 2.201 0 40 BEAB CC[C@@H](CNC(=O)C1CCCC1)N1CCCC1 40522415 CQJIENNICHHXFO-ZDUSSCGKSA-N 238.375 2.167 0 40 BEAB CC(C)CC(=O)NCC1(N(C)C)CCCC1 42762953 WMWNHABQOABUJR-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB CCN(CC)C(=O)CCc1ccccc1OC 44866946 XNCJPLHIAZKFIH-UHFFFAOYSA-N 235.327 2.496 0 40 BEAB C[C@@H]1CCCN(c2ccnc(Cl)n2)C1 45918599 AHWUMDOPFUZQFB-MRVPVSSYSA-N 211.696 2.366 0 40 BEAB CN(Cc1ccncc1)C(=O)Cc1cccs1 47632365 QSELLROWFOYJNS-UHFFFAOYSA-N 246.335 2.344 0 40 BEAB O=C(Nc1cc[nH]n1)c1ccccc1Cl 48798492 GCRPDUDGEHIPAJ-UHFFFAOYSA-N 221.647 2.315 0 40 BEAB CCOc1ccc([C@H]2C[C@@H]2CNC)cc1 54588788 NIFATAJCKVXGJO-DGCLKSJQSA-N 205.301 2.408 0 40 BEAB CN(CCCO)CCOc1ccc(Cl)cc1 58129769 PQOBPBULNDUHCD-UHFFFAOYSA-N 243.734 2.033 0 40 BEAB CCOC(=O)c1oc2ccccc2c1C=O 62709510 OQSZIODIIDFQRB-UHFFFAOYSA-N 218.208 2.422 0 40 BEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccccn2)c1 69899398 DKKVRUQSHZZPOY-OLZOCXBDSA-N 244.342 2.326 0 40 BEAB NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1 70460109 LQUDSBGNNFBMPG-UHFFFAOYSA-N 248.355 2.066 0 40 BEAB COc1cc(CCC(=O)O)ccc1OC(F)F 71867277 IUDNQNDPGSVOKX-UHFFFAOYSA-N 246.209 2.314 0 40 BEAB Cc1ccnc([C@@H]2CCCCN2C(=O)C(C)C)n1 72187679 IXRKYEBNMQBSOD-LBPRGKRZSA-N 247.342 2.495 0 40 BEAB CCOC(=O)CC(=O)c1ccc(OC)c(C)c1 76818888 ISFGZMZPNNGHQH-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB N[C@@H]1CCCC[C@@H]1N1CCc2ccccc2CC1 78814862 GPDIWTKRSWQQLY-CVEARBPZSA-N 244.382 2.357 0 40 BEAB Fc1cc(Br)cc2c1OCCNC2 84179566 JUNYAXASYIIWTL-UHFFFAOYSA-N 246.079 2.070 0 40 BEAB Cc1noc(CCN[C@@H](C)c2cccc(F)c2)n1 89518870 STOZCQADAZIEAY-VIFPVBQESA-N 249.289 2.410 0 40 BEAB Cc1ccc(CN(C)C)cc1NC(=O)C1CC1 96451801 OSBUCHIMENBEQJ-UHFFFAOYSA-N 232.327 2.405 0 40 BEAB CCOC(=O)[C@H]1C[C@@H](C(F)(F)F)CCC1=O 96509637 WUFBIEFFUPMRDQ-BQBZGAKWSA-N 238.205 2.097 0 40 BEAB N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 97922847 GIYPQZJJERZOKW-ZDUSSCGKSA-N 233.311 2.042 0 40 BEAB in-vitro O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100335286 HFOFBRTWHXZMTL-CKYFFXLPSA-N 216.284 2.456 0 40 BEAB CC(C)n1c(C(=O)O)nc2ccccc21 107289449 ACBUSDPIJRZHRJ-UHFFFAOYSA-N 204.229 2.315 0 40 BEAB c1ccc(Cn2cc3c(n2)C[C@H]2CC[C@H]3N2)cc1 110751133 JXEJEWOQGSCZGP-TZMCWYRMSA-N 239.322 2.281 0 40 BEAB Cc1ccc([C@@H](N)C(=O)O)c2ccccc12 199810425 LIJRJVOMQPVFMT-GFCCVEGCSA-N 215.252 2.233 0 40 BEAB COC(=O)c1cc2ccnc(Cl)c2[nH]1 206057268 PTDJWOQTTIXTOO-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB COC(=O)[C@@H]1Cc2cc3ccccc3nc2C1 217913481 ZYQFUWMONCWSCF-LLVKDONJSA-N 227.263 2.123 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1F 218688948 SLQSPHHAZOAQAM-NTSWFWBYSA-N 216.158 2.292 0 40 BEAB c1c(C2CC2)nn2c1CN([C@@H]1CCSC1)CC2 575414142 GXFHZQNPWNBCCR-LLVKDONJSA-N 249.383 2.082 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]12CCC[C@@H](N)C2 606301461 DIIOWUSIKPFWQZ-MFKMUULPSA-N 240.347 2.267 0 40 BEAB O=C(N1C[C@@H]2CC[C@H](C1)C2(F)F)C1(F)CCC1 1565545713 MLJIFVKGRKERQU-DTORHVGOSA-N 247.260 2.382 0 40 BEAB CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1 99486 QLDJXEMIAHBMSS-UHFFFAOYSA-N 229.279 2.414 0 40 BEAB O=c1[nH]cnc2c1sc1cccc(F)c12 260771 RFKXYCUEUBRFTA-UHFFFAOYSA-N 220.228 2.277 0 40 BEAB CC(C)n1c2c(sc1=S)CS(=O)(=O)C2 520237 UALBPWKUNFMNNN-UHFFFAOYSA-N 249.382 2.288 0 40 BEAB CC(=O)CSc1nc2ccccc2[nH]1 574144 QEIAYIODUFAZTF-UHFFFAOYSA-N 206.270 2.244 0 40 BEAB NCCCCCNc1cc(O)cc2cccnc12 1687529 WNRGIRYGYJNKOE-UHFFFAOYSA-N 245.326 2.481 0 40 BEAB CSc1n[n+](-c2ccccc2)cs1 1703386 MBYCVAZYJGAYOE-UHFFFAOYSA-N 209.319 2.142 0 40 BEAB Cc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 325028 MYCMHXVZSRZJOH-NSHDSACASA-N 229.283 2.470 0 40 BEAB [O-][n+]1ccn(O)c1-c1ccc(C(F)(F)F)cc1 6528080 OLGZGEOZNLCFJR-UHFFFAOYSA-N 244.172 2.045 0 40 BEAB Nc1cc(NC(=O)c2ccncc2)ccc1F 22146146 KUIOWZHBDQQJBZ-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB Cc1cc(C(=O)O)nn1-c1cccc(F)c1 41233708 WJQPYKXTWOTIBA-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB in-vitro N[C@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 101027453 JJRBFERRYCUWKX-JTQLQIEISA-N 240.228 2.404 0 40 BEAB Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C)s1 78321442 DKEXZLRLLMSIHW-CNUIFLNQSA-N 239.344 2.220 0 40 BEAB CCOC(=O)C1CCN(c2ccccc2)CC1 2041283 ZNOCPXFFJBMLLC-UHFFFAOYSA-N 233.311 2.466 0 40 BEAB Cc1cc(NCCNc2ccccn2)nc(C)n1 58311002 WZIZOHMYPJAPBG-UHFFFAOYSA-N 243.314 2.012 0 40 BEAB c1nc(NC2CCCCCC2)c2cn[nH]c2n1 12759124 QICGDWYCSBSYGH-UHFFFAOYSA-N 231.303 2.488 0 40 BEAB C/C(=C\C(=O)Nc1cccnc1)C1CC1 48667161 UJMSPNJXNQVLKO-VQHVLOKHSA-N 202.257 2.376 0 40 BEAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(N)=O 14198409 BSFURVHDOZURIP-RXMQYKEDSA-N 233.695 2.445 0 40 BEAB CC(C)NC(=O)N1CCSc2ncccc21 89885266 LJZVIPQBOOFBJI-UHFFFAOYSA-N 237.328 2.112 0 40 BEAB CCn1cc(C(N)=S)c2ccccc21 19726662 UNXFFILTNOZNNR-UHFFFAOYSA-N 204.298 2.295 0 40 BEAB CCn1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 28575798 GKPYVWKXWHEVNN-GHMZBOCLSA-N 235.331 2.021 0 40 BEAB C[C@H](N[C@H](C)C(N)=O)c1c(F)cccc1Cl 96492352 FJKYFTDBGHQDKQ-NKWVEPMBSA-N 244.697 2.004 0 40 BEAB C[C@H](CCn1cncn1)N[C@H](C)c1ccco1 95419477 UGGJFTJDZVOQAP-GHMZBOCLSA-N 234.303 2.001 0 40 BEAB Brc1cnc2c(C3CC3)cnn2c1 98213894 VCZJOQWDESZTLX-UHFFFAOYSA-N 238.088 2.369 0 40 BEAB in-vitro O=C(O)c1ccc(C(=O)N[C@@H]2C=CCCC2)cc1 95989955 PLLFIUNYPPSKQI-GFCCVEGCSA-N 245.278 2.223 0 40 BEAB CC[C@H](C[C@H]1COC(N)=N1)c1ccccc1 113978349 IXDKFUBXESWHSL-PWSUYJOCSA-N 218.300 2.284 0 40 BEAB Cc1cnc(Nc2ccc(F)cc2)nc1O 408979687 OBIJQVIETLOINL-UHFFFAOYSA-N 219.219 2.373 0 40 BEAB O=C1c2ccccc2C[C@H]2CCCCN12 3847866 RMDMKRJRSLNXRR-LLVKDONJSA-N 201.269 2.237 0 40 BEAB biogenic C[C@H](c1ccc(F)cc1)N1CCOCC1 32814511 HOOWODVZLIFDTM-SNVBAGLBSA-N 209.264 2.219 0 40 BEAB CN1CCCC[C@@H]1c1cncc(Cl)n1 72344239 HOKLGQMSYIAMRK-SECBINFHSA-N 211.696 2.287 0 40 BEAB Fc1ccc(F)c(Nc2ncnc3[nH]ncc23)c1 41121193 VLZGMRWGYSMRSY-UHFFFAOYSA-N 247.208 2.375 0 40 BEAB CCN(CCCOC)c1cccc(O)c1 225600284 IMBFOANKDCYNJB-UHFFFAOYSA-N 209.289 2.255 0 40 BEAB COc1ccccc1C(=O)c1ccc(C(=O)O)o1 85394390 NAXUAVGDEDTOHS-UHFFFAOYSA-N 246.218 2.217 0 40 BEAB O=C1NCc2c1ccc(Cl)c2Cl 89211025 ANQDFOAOUUPTIU-UHFFFAOYSA-N 202.040 2.237 0 40 BEAB CC(C)(C)Cc1noc(C2CCNCC2)n1 82673370 KPLWPLMCLMWGPE-UHFFFAOYSA-N 223.320 2.125 0 40 BEAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C)C2 225487919 CFBZHJZGTINRGK-LBPRGKRZSA-N 246.310 2.156 0 40 BEAB biogenic,in-vitro O=C(O)c1cnc(OCC2CC2)c(C2CC2)c1 145981849 SXODTTHCORPAOJ-UHFFFAOYSA-N 233.267 2.446 0 40 BEAB OC(=S)[C@@H]1C[C@H](c2ccccc2)CN1 85473438 DENRAPYZXLTMEG-UWVGGRQHSA-N 207.298 2.018 0 40 BEAB C[C@@H]1CC(C)(C)C[C@H]1NCCCn1ccnn1 192391714 FAELYVBMFLIDES-VXGBXAGGSA-N 236.363 2.083 0 40 BEAB C[C@@H]1CCc2cc(F)ccc2N1CC(=O)O 96517470 SALKUWQINVXRJV-MRVPVSSYSA-N 223.247 2.051 0 40 BEAB COC(=O)c1ccc2nc(Cl)oc2c1 95879206 ZZMHBFGSQVJSER-UHFFFAOYSA-N 211.604 2.268 0 40 BEAB Cc1ccc([C@@H]2N=C(O)[C@@H]3CCCCN32)nc1 95966448 NEZLRIUTSISDMU-NWDGAFQWSA-N 231.299 2.213 0 40 BEAB CCOC(=O)C(=O)c1cccc(OC(F)F)c1 95634643 HIOUBUAQDKUSOB-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB CC(C)COc1ccc(CCO)cc1F 95730400 PLQHJMIQVRPVQB-UHFFFAOYSA-N 212.264 2.395 0 40 BEAB CO[C@@H](C)C(=O)N(Cc1ccccc1)C1CC1 55117625 NOAHINBUTROQEB-NSHDSACASA-N 233.311 2.213 0 40 BEAB c1ccc(-c2noc(C[C@H]3CCCNC3)n2)cc1 54301264 FPOUMQNXWJUHPW-LLVKDONJSA-N 243.310 2.279 0 40 BEAB CNC(=O)CSc1ccc2ccccc2n1 5626934 COWQHOXVASXJTP-UHFFFAOYSA-N 232.308 2.073 0 40 BEAB Cc1cccc(CSc2nnc(CCN)o2)c1 5111937 RDUABMPBLLRRCX-UHFFFAOYSA-N 249.339 2.172 0 40 BEAB CC(C)NC(=O)c1coc(Br)c1 12981275 LOCNLJZSASDTNP-UHFFFAOYSA-N 232.077 2.180 0 40 BEAB Oc1cc(C(F)(F)F)nc(C(F)(F)F)n1 17313364 CQGVQUGHJJPUPQ-UHFFFAOYSA-N 232.083 2.220 0 40 BEAB CC(C)N[C@@H](C)c1ccc2c(c1)OCO2 19880635 YOHNQQXVACHJIF-VIFPVBQESA-N 207.273 2.474 0 40 BEAB Nc1cc(Cl)ccc1C(=O)NCC1CC1 20156180 KXTKCIMBZMUFNK-UHFFFAOYSA-N 224.691 2.062 0 40 BEAB CC(C)OC(=O)[C@@H]1[C@H](C)C1(Cl)Cl 33414730 JFFYDGAPRCIEIN-WDSKDSINSA-N 211.088 2.378 0 40 BEAB Cc1nc(CNCCCOC(C)C)cs1 7779659 OUVDVBPXMNRSQY-UHFFFAOYSA-N 228.361 2.356 0 40 BEAB CCCCC[C@H](O)/C=C/C(=O)OCC 1857788501 CYJIOAVGDLSFJE-DDXVTDLHSA-N 200.278 2.047 0 40 BEAB NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 40713051 QLDISJBNQHJOHZ-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB C[C@@H](NC(=O)Nc1ccccc1)c1cnn(C)c1 27918971 HOPXLFBICRDWFI-SNVBAGLBSA-N 244.298 2.303 0 40 BEAB CCOC(=O)c1ccsc1NC(=O)C1CC1 4275712 XEQVGTYYOXPUFX-UHFFFAOYSA-N 239.296 2.273 0 40 BEAB Cc1ccc(NC(=O)c2cccnc2)nc1 362416 ZDNUIQSTZRWBLR-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCCNS(=O)(=O)c1ccc(Cl)cc1 1598994 IQAWZHMVSPVZCM-UHFFFAOYSA-N 233.720 2.028 0 40 BEAB CCOC(=O)c1cnn(C2CCCCC2)c1N 1604598 NQLJJSMRVILYQD-UHFFFAOYSA-N 237.303 2.147 0 40 BEAB CCOc1cc(C(=O)O)c2ccccc2n1 1622186 QHSDSDASKCLTPD-UHFFFAOYSA-N 217.224 2.332 0 40 BEAB COc1ccc(C)c2[nH]c(C(=O)O)cc12 3748677 JYPDQXPGNMLIJO-UHFFFAOYSA-N 205.213 2.183 0 40 BEAB in-vitro CNc1nc(C)nc(NC)c1Cc1ccccc1 5669789 NUPLCWFGOMOARD-UHFFFAOYSA-N 242.326 2.459 0 40 BEAB CCn1c(=O)c2c(C)n[nH]c2c2ccccc21 5686913 ASEHARDUZDZEKS-UHFFFAOYSA-N 227.267 2.206 0 40 BEAB in-vivo CCn1nccc1C(=O)Nc1ccccc1C 11696014 NILUZWGQBANEAT-UHFFFAOYSA-N 229.283 2.464 0 40 BEAB CC(C)CNC(=S)NCc1ccc(F)cc1 13814263 ANRKHOMEVCQWFB-UHFFFAOYSA-N 240.347 2.446 0 40 BEAB Cc1ccc(C)c(O[C@@H]2CCCNC2)c1 14631657 CRUXPJDCOAFMLS-GFCCVEGCSA-N 205.301 2.434 0 40 BEAB COc1ccc(CCCC(=O)O)c(OC)c1 20217148 ULRYTCBBYQNVQO-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB Cc1cccc(C(=O)N[C@@H](C)c2ccco2)n1 25463449 RJFIUSJIFVRSEN-JTQLQIEISA-N 230.267 2.474 0 40 BEAB Cc1ccc(C(=O)O)cc1-c1cncnc1 32597759 SDJMLKZEWGKGJK-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CC(C)NC(=O)c1ccn(C2CCCC2)n1 32611575 SKSPRCPHPLWZLU-UHFFFAOYSA-N 221.304 2.136 0 40 BEAB CCN1CCC[C@H]1CNC(=O)c1ccccc1C 40461890 XIWXSTYIXLKPMH-ZDUSSCGKSA-N 246.354 2.209 0 40 BEAB CC(=O)c1nnn(-c2ccccc2)c1Cl 48622860 QVTSYCIMPFBYCH-UHFFFAOYSA-N 221.647 2.123 0 40 BEAB O=C(NCCc1ccc(Cl)s1)C1CC1 49007986 AKUJXMQZPZEFRL-UHFFFAOYSA-N 229.732 2.470 0 40 BEAB CCC(=O)Nc1cccc(/C=C/C(=O)O)c1 49591943 KKLVAWGWDMLHJP-VOTSOKGWSA-N 219.240 2.133 0 40 BEAB CC[C@H](C(=O)N1CCNC[C@@H]1C)c1ccccc1 54369889 OSAXFPZZSDMGBO-JSGCOSHPSA-N 246.354 2.001 0 40 BEAB CCSc1ncc(CN[C@H](C)CC)cn1 62717302 GFNOPXYSDSSSFX-SECBINFHSA-N 225.361 2.477 0 40 BEAB Fc1ccc(NCCc2n[nH]c(C3CC3)n2)cc1 62718990 OKZBFTFMLYQNCI-UHFFFAOYSA-N 246.289 2.476 0 40 BEAB Cc1nc(N)ccc1-c1cccc(O)c1 65384921 ZSXJCTUIXSHRMW-UHFFFAOYSA-N 200.241 2.345 0 40 BEAB CCCNC(=O)CSCc1cnc(C)s1 68977058 QXGMJWRUPBMJTN-UHFFFAOYSA-N 244.385 2.211 0 40 BEAB Cn1ccnc1-c1ccc(C=O)c(F)c1 69028038 PZYRZMAIAXHSRK-UHFFFAOYSA-N 204.204 2.039 0 40 BEAB CC(C)(C)CNS(=O)(=O)c1ccccc1 70265678 AVWRPHDCJGRMDN-UHFFFAOYSA-N 227.329 2.011 0 40 BEAB CN[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207621 MHIYDVMZQYMYAT-NXEZZACHSA-N 230.352 2.144 0 40 BEAB O=C(c1ccccc1)N1CCN[C@H]2CCCC[C@@H]21 72210176 YKGRKMSDSHKIMV-KBPBESRZSA-N 244.338 2.043 0 40 BEAB CCCNc1ncccc1[C@H]1CCCN1C=O 72213122 IANANTPORNXCDB-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB Cc1cc([C@@H]2CCCN2C=O)cnc1Cl 72217767 JYSZQAUGGFSESR-JTQLQIEISA-N 224.691 2.337 0 40 BEAB Cc1c(N)ccc2nn(-c3ccccc3)nc12 73740103 RLDXULIXAOUKOA-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB COC(=O)Cc1cccc(OC(F)F)c1 78406444 YDFXNVKHHNMHFG-UHFFFAOYSA-N 216.183 2.004 0 40 BEAB FC(F)(F)c1nc(Cl)c2nccnc2n1 82334097 LXKWKBJLOSWGLP-UHFFFAOYSA-N 234.568 2.092 0 40 BEAB NCC(=O)c1cc(Cl)ccc1Br 83324604 YADLWQVLBWPCDC-UHFFFAOYSA-N 248.507 2.244 0 40 BEAB CC(C)[C@@H](CCO)NC(=O)CC1CCCCC1 84410220 HXNYYTFXUJHQOD-CYBMUJFWSA-N 241.375 2.480 0 40 BEAB O=c1[nH]c(-c2ccoc2)nc2cc(F)c(F)cc12 89885146 FGYZCYVMWRYRRY-UHFFFAOYSA-N 248.188 2.461 0 40 BEAB C[C@H]1CC[C@@H](CO)CN1Cc1ccsc1 93739028 ZLYXYXYFQMTCAL-WDEREUQCSA-N 225.357 2.341 0 40 BEAB O=C(N[C@H]1CCCc2cn[nH]c21)c1ccccc1 95423937 OVWFFFYONVDXQF-LBPRGKRZSA-N 241.294 2.217 0 40 BEAB O=Cc1cccc(COC[C@H]2CCCO2)c1 95738659 ZTARXEHHLSIXEB-CYBMUJFWSA-N 220.268 2.195 0 40 BEAB Cc1nccc(N2CCOC[C@@H]2CC(C)C)n1 97013881 VGARPFLLQPVVIH-LBPRGKRZSA-N 235.331 2.036 0 40 BEAB CCOC(=O)c1cc(Cl)c2nccn2c1 97463434 OTIWIYFRQYZQNI-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB O=C(O)c1cc2c([nH]1)[nH]c1ccccc12 100050262 PKUDAXSLGDXGBH-UHFFFAOYSA-N 200.197 2.347 0 40 BEAB OC[C@H]1CC[C@H](NC[C@@H]2CC=CCC2)CC1 104314161 FAJYJMBNNQFHDB-MCIONIFRSA-N 223.360 2.483 0 40 BEAB CN(CCCCCCO)C(=O)OC(C)(C)C 140860910 BAXFERRQISNSLD-UHFFFAOYSA-N 231.336 2.406 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CN1CC[C@@H](O)C1 191046620 FOLWJPWTGNESSN-JHJVBQTASA-N 209.333 2.045 0 40 BEAB N[C@H]1CCC[C@H]1Nc1c(F)cccc1F 218883026 NAFSIPKLEYJQMA-VHSXEESVSA-N 212.243 2.257 0 40 BEAB OCc1cn(Cc2ccccc2Cl)cn1 236508059 UONPFELRVRYUKL-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB O=C(O)c1ccc(N2C[C@H]3CC[C@H]2C3)cc1 250262991 VHFCWATYQREKNS-CABZTGNLSA-N 217.268 2.374 0 40 BEAB FCCn1nccc1CNCCc1ccccc1 256053781 SVFHUMIHKWCCFT-UHFFFAOYSA-N 247.317 2.185 0 40 BEAB CCn1cc(NCc2ccnn2C(C)C)cn1 256054302 VUSSASDKSVOSQI-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB COc1nc2cccc(Br)c2[nH]1 306711015 XAJBRZLYANPBNF-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB COCCNC(=S)c1cccc(Cl)c1 408574915 NAZURGSJWVXRAH-UHFFFAOYSA-N 229.732 2.252 0 40 BEAB COC(=O)[C@H]1CCC[C@H](OC(F)(F)F)C1 953033811 ONELURHMQSHRTE-BQBZGAKWSA-N 226.194 2.255 0 40 BEAB O=C(C[C@H]1CCCCC1=O)c1ccncc1 1908512013 OOVYJLRQANCVFJ-LLVKDONJSA-N 217.268 2.414 0 40 BEAB CCCCC[C@]1(C)OC[C@H](COC(C)=O)O1 1681925 SRVZUFBIUWFSMG-NWDGAFQWSA-N 230.304 2.261 0 40 BEAB CC(C)(C)OC[C@@H](O)CNCc1cccs1 2655068 FLOCHDHJXGINOB-JTQLQIEISA-N 243.372 2.014 0 40 BEAB CC[C@@H](C)NC(=O)COc1cccc(C(C)=O)c1 2659229 QXKGSBBBBLUGBA-SNVBAGLBSA-N 249.310 2.183 0 40 BEAB COc1ccc(CCC(=O)NCC(C)C)cc1 5907862 FGDDNHLOZHKTRO-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB CN(C)Cc1ccccc1CNC(=O)C1CCC1 7923969 FMJIBGHFWLIUCP-UHFFFAOYSA-N 246.354 2.165 0 40 BEAB Cc1ccccc1CO[C@H]1CCCNC1 14631583 NVDNJKGJBMROPH-ZDUSSCGKSA-N 205.301 2.264 0 40 BEAB O=C(Cc1cccc(F)c1)NCc1cccnc1 19934886 JTNBORPSYMKGQA-UHFFFAOYSA-N 244.269 2.080 0 40 BEAB CCOc1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 20392439 LPXOGNLUMUAOSY-QWRGUYRKSA-N 206.241 2.273 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1 20486549 BTUJPYDRPJRPNQ-AWEZNQCLSA-N 246.354 2.177 0 40 BEAB O=C(c1ccc(CN2CCCC2)o1)N1CCCC1 27984563 UPXNZCIBTCBMNC-UHFFFAOYSA-N 248.326 2.111 0 40 BEAB Cc1ccnc(NC(=O)Cc2ccccc2C)n1 32859928 KKENFWZBGDPPEL-UHFFFAOYSA-N 241.294 2.275 0 40 BEAB CN(C(=O)[C@H]1CCCO1)[C@@H]1CCc2ccccc21 32905636 VGTZOVPZYUVKOL-ZIAGYGMSSA-N 245.322 2.311 0 40 BEAB OCc1cncc(-c2ccc(F)cc2)c1 34580005 AGTFTHJYSZRWJK-UHFFFAOYSA-N 203.216 2.380 0 40 BEAB O=C(O)CCc1ccc(F)c(F)c1F 36204273 ANWNVMXSGRKDIA-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB Cn1c(C(F)(F)F)nc2cc(C(=O)O)ccc21 36893517 HTJCOPJZCYJCMM-UHFFFAOYSA-N 244.172 2.290 0 40 BEAB in-vitro Cc1ccc([C@H](CO)N2CCCC2)cc1 41213751 FJYDANZWVOHKGU-ZDUSSCGKSA-N 205.301 2.124 0 40 BEAB CCc1c(C(=O)O)cnn1CCC(C)C 42439547 UQBFBQKUNYUUBY-UHFFFAOYSA-N 210.277 2.190 0 40 BEAB in-vitro CCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 46417614 VQSFQGKJSJXENB-AOOOYVTPSA-N 237.299 2.091 0 40 BEAB CC(=O)N(C1CC1)[C@@H](C)c1ccccn1 47178020 STQACGCOGOJIDC-VIFPVBQESA-N 204.273 2.154 0 40 BEAB Cc1ccc(-c2cc3c(=O)[nH]ccn3n2)c(C)c1 70459041 DIVQGKHFDYIVQF-UHFFFAOYSA-N 239.278 2.306 0 40 BEAB Cc1cc(NCc2scnc2C)ncn1 70837203 DMBUKVHQUICZOI-UHFFFAOYSA-N 220.301 2.162 0 40 BEAB Cc1nn(Cc2ncc(C(C)(C)C)o2)c(C)c1N 72207455 RTYBXERUHPBXJQ-UHFFFAOYSA-N 248.330 2.416 0 40 BEAB CN(C)C(=O)C[C@@H](c1ccccc1)[C@@H]1CCCN1 72208319 GMIWDRXKQPCEEO-KBPBESRZSA-N 246.354 2.001 0 40 BEAB CC(C)(NC(=O)NCc1cccnc1)C1CC1 72312625 SKKLUCUYRQGWOO-UHFFFAOYSA-N 233.315 2.069 0 40 BEAB CCC(=O)N1CCC[C@@H](Cc2ccccn2)C1 72361319 YSCPTSREAMZDQW-LBPRGKRZSA-N 232.327 2.273 0 40 BEAB CCCNC(=O)NCc1ccccc1C 72590096 MLHRAVMNRHUPPY-UHFFFAOYSA-N 206.289 2.204 0 40 BEAB CO[C@H](CNC(=O)c1ccccc1C)C(C)C 74018203 FKXDPVSAEFMFBX-CYBMUJFWSA-N 235.327 2.396 0 40 BEAB OCc1ccc([C@H]2NCCc3ccccc32)cc1 83693662 OZHONUGJWHPOHV-MRXNPFEDSA-N 239.318 2.414 0 40 BEAB COc1ncc(Br)cc1C(C)=O 91297145 LXKMRWKPTVIQLG-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB in-vitro Cn1cc(Nc2ncnc3ccc(F)cc23)cn1 92620591 OEPPGBKWGVKUKX-UHFFFAOYSA-N 243.245 2.246 0 40 BEAB N[C@H](c1ccc2c(c1)OCC2)C(F)(F)F 95096677 YPGPNAQISRPUQH-SECBINFHSA-N 217.190 2.184 0 40 BEAB COc1cccc(-c2nc([C@H](N)C(C)C)n[nH]2)c1 95534715 OLNUFAYRHMGQEW-LLVKDONJSA-N 246.314 2.136 0 40 BEAB FC(F)(F)c1cc2c(Cl)nccn2n1 95756002 DOZBLJWPZNVVML-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB CC[C@H](Cc1ccccc1)N(C)CCCO 96424581 HVNXBBMZPJTXGM-CQSZACIVSA-N 221.344 2.322 0 40 BEAB CN(C)CC(C)(C)CN[C@@H]1C[C@@H]2CC[C@@H]1C2 100553320 CZHRBWQKUXXMKV-JHJVBQTASA-N 224.392 2.352 0 40 BEAB COCCn1c(=N)sc2cc(C)c(C)cc21 100969319 WYOCFQGEPZSRRZ-UHFFFAOYSA-N 236.340 2.446 0 40 BEAB CC1(C)C[C@H](CO)N(C(=O)OC(C)(C)C)C1 218342870 IMAIYZZQVVKONO-SECBINFHSA-N 229.320 2.014 0 40 BEAB CCOC(=O)c1cc(Cl)cc(F)c1O 228944286 VJFQKJBZAMUKPA-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB CN(C)c1cccc(CN(C)c2ncccn2)c1 269262636 ATNBQVLYFPQUDW-UHFFFAOYSA-N 242.326 2.179 0 40 BEAB C/C=C/C(=O)c1cccc(C(=O)OC)c1 379774888 FUKXOPDQCVJWTM-HWKANZROSA-N 204.225 2.232 0 40 BEAB FC(F)COc1cnc2ccccc2n1 585652819 XDXQPJJWZSDBMG-UHFFFAOYSA-N 210.183 2.274 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]12CCC(=O)C2 953101445 FOMAZBUASADAQK-LBPRGKRZSA-N 225.288 2.119 0 40 BEAB CC[C@H](C)c1cnc(CC(C)C)c(=O)n1O 899959 IUZCDJYHMMWBBE-VIFPVBQESA-N 224.304 2.193 0 40 BEAB biogenic,in-vitro C[C@@H](Cc1ccccc1)CC(C(=O)O)C(=O)O 1764736 YSGQEYOCSNLLIB-VIFPVBQESA-N 236.267 2.041 0 40 BEAB Cc1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 2762550 MBFDGPSHOHTRQI-NSHDSACASA-N 221.300 2.287 0 40 BEAB O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 5117203 HMMMTSXSWRPUOJ-NSHDSACASA-N 222.675 2.270 0 40 BEAB CC[C@@H](CO)NC(=O)Nc1c[nH]c2ccccc12 5299850 WDWTVHQHSBAQRS-VIFPVBQESA-N 247.298 2.060 0 40 BEAB COCCCNC(=O)c1ccc(C)c(C)c1 5546709 SBUSHEQMPSLGEJ-UHFFFAOYSA-N 221.300 2.070 0 40 BEAB Nc1ccccc1C(=O)OCc1ccccn1 5616577 ZLMPZDKDFXVXAC-UHFFFAOYSA-N 228.251 2.021 0 40 BEAB Oc1ccccc1-c1n[nH]c(-c2ccncc2)n1 5998592 XMWNZGGMCFTLNW-UHFFFAOYSA-N 238.250 2.239 0 40 BEAB C[C@]12CC[C@H](CC1=O)[C@@]2(C)CCC(=O)O 8534575 YMCGZMYNZAJAAY-FXAINCCUSA-N 210.273 2.247 0 40 BEAB CCCCCC[C@@H](C)NC(=O)CCC(=O)O 13943679 UOMULHPGIOYJNB-SNVBAGLBSA-N 229.320 2.326 0 40 BEAB N[C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 14007997 DEDUBZVXFIONOV-KFWWJZLASA-N 230.355 2.246 0 40 BEAB COc1cccc(CC(=O)NC2CCCC2)c1 15593412 FJFGMJLNVFYISF-UHFFFAOYSA-N 233.311 2.297 0 40 BEAB O=C(Nc1ccc(N2CCCCC2)nc1)C1CC1 20371638 JOTWBXIDUFXTBM-UHFFFAOYSA-N 245.326 2.420 0 40 BEAB O=c1[nH]cccc1-c1nc(-c2ccccc2)no1 21730331 LWZOYROVKVXUEK-UHFFFAOYSA-N 239.234 2.092 0 40 BEAB CC[C@H](C)[C@@H](CC(=O)OC(C)(C)C)C(=O)O 26522493 MSWJCGHMPAEXAY-DTWKUNHWSA-N 230.304 2.465 0 40 BEAB Cc1noc2c(Cc3ccccc3)nnc(O)c12 34343165 PWXZIABNGPGMDN-UHFFFAOYSA-N 241.250 2.223 0 40 BEAB CCOC(CCN(CC)CC)OCC 34741879 IBQQRWHQSLKUHC-UHFFFAOYSA-N 203.326 2.117 0 40 BEAB in-vitro O=C(O)CCc1cnc2ccccc2c1 35569622 PDVKRIXEUOTSJQ-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB in-vitro O=C(O)C1=C(Br)CCCC1 36448699 ZLXLAGQLWBJSSF-UHFFFAOYSA-N 205.051 2.294 0 40 BEAB C=CC(=O)N[C@H](C)c1ccc(OCC)cc1 37014263 ZLSBUPCTQAPQKD-SNVBAGLBSA-N 219.284 2.449 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1ccccc1OC(F)F 37381174 VEQHUVWIKWWTFY-YUMQZZPRSA-N 228.194 2.476 0 40 BEAB in-vitro Cn1cc(Nc2ncnc3ccccc23)cn1 37715777 SYYPLXHKZFFHSD-UHFFFAOYSA-N 225.255 2.107 0 40 BEAB O=c1ccc(-c2ccc3c(c2)CCCC3)n[nH]1 41195310 XPJKVTNWFZFNLE-UHFFFAOYSA-N 226.279 2.316 0 40 BEAB Cc1ccccc1[C@H]([C@H](C)N)n1cccn1 43037660 KYEWWOWOXMVEHG-AAEUAGOBSA-N 215.300 2.128 0 40 BEAB CCOC(=O)Cc1ccc(C)c(F)c1F 43503489 FQHILLNFISZUDE-UHFFFAOYSA-N 214.211 2.379 0 40 BEAB COc1ccc(CN2CCSCC2)cc1F 47988412 VAVKTUOMVKTUAI-UHFFFAOYSA-N 241.331 2.383 0 40 BEAB CCOCCNCc1ccc(F)c(C)c1 50545101 PDVMCJXHDRQNOY-UHFFFAOYSA-N 211.280 2.260 0 40 BEAB Cc1cnn([C@@H](C)[C@H](C)NCc2cccnc2)c1 69491525 WYCRWWYXPPPNQA-STQMWFEESA-N 244.342 2.326 0 40 BEAB Cc1cc(S)ncc1[C@@H]1CCCN1C 72218305 CBGSOLUGYGGVLY-JTQLQIEISA-N 208.330 2.445 0 40 BEAB Cc1cccnc1NCc1cnn(C)c1C 72226657 YWYYAOOIUQGKQM-UHFFFAOYSA-N 216.288 2.044 0 40 BEAB CC(C)(CCO)Nc1ncnc2sccc12 72301732 BLDFPIIAURTPJJ-UHFFFAOYSA-N 237.328 2.264 0 40 BEAB CCC(=O)NC1(C(=O)OC(C)(C)C)CCCC1 75140522 WWOHRNURWQSRFH-UHFFFAOYSA-N 241.331 2.167 0 40 BEAB CSCCOC(=O)c1noc2c1CCCC2 76091034 DMWXWIXLKUGXHA-UHFFFAOYSA-N 241.312 2.073 0 40 BEAB CC(C)COc1ccc(C(C)(C)C(N)=O)cc1 78661546 YDFOTDXJLAKCOB-UHFFFAOYSA-N 235.327 2.484 0 40 BEAB C/C=C/CC1=C(C)CC(=O)[C@@H]1C(=O)OC 87492938 APVWSKRSXLWLOP-SGUJLRQBSA-N 208.257 2.031 0 40 BEAB Cc1cc(CCC(=O)N(C)C)c(C)s1 95965984 JEPMGAYZHYKTOM-UHFFFAOYSA-N 211.330 2.386 0 40 BEAB C[C@H](CCO)NCC(C)(C)c1ccccc1 96490804 SOOIPZAMWFSJMI-GFCCVEGCSA-N 221.344 2.325 0 40 BEAB COc1ccc(N[C@@H](C)C2CCOCC2)cn1 97104540 LYFCRJHHGVIOOD-JTQLQIEISA-N 236.315 2.317 0 40 BEAB CCc1cc(C)c(C(=O)Nc2cnccn2)o1 97379904 FEENCKFQUGTIOO-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CCOC(=N)CC(=O)N[C@@H](C)c1ccccc1 102946664 HDCMRRCBSJEOHU-JTQLQIEISA-N 234.299 2.268 0 40 BEAB Brc1nc(-c2cccnc2)ns1 166032758 MDANTWHYAJSLJK-UHFFFAOYSA-N 242.101 2.363 0 40 BEAB CC[C@@H](c1ccccc1)[C@@H]1CNCCC1=O 168636125 CBFVDTFNCYHRAB-STQMWFEESA-N 217.312 2.359 0 40 BEAB CC[C@H]1CCCCN1CCCNC(=O)C(C)C 201635925 QSTANHPGFFZQMJ-ZDUSSCGKSA-N 240.391 2.413 0 40 BEAB CCOc1ccc(N[C@@H]2CCC[C@H]2N)cc1 218877599 ADZZSJMQSBBVFR-CHWSQXEVSA-N 220.316 2.377 0 40 BEAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@H]21 242463627 DGBXKFVUWZAVCW-HSNKUXOKSA-N 238.205 2.065 0 40 BEAB COC(=O)c1[nH]ccc1-c1ccccc1OC 258104117 KYERJSXDWZLKAW-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB O=C([C@H]1CC=CCC1)N1CC[C@H](OCC2CC2)C1 390832017 WQQFHYYRBKICTJ-KBPBESRZSA-N 249.354 2.370 0 40 BEAB Cc1cc2c(cc1C)CN(CC(=O)NC(C)C)C2 409197340 CBQFTBDFSNZXDS-UHFFFAOYSA-N 246.354 2.144 0 40 BEAB CC(C)CCN1C(=O)c2ccc(C=O)cc2C1=O 1772715172 OYOMYXLSBHBCAB-UHFFFAOYSA-N 245.278 2.141 0 40 BEAB Cc1cc(C)c(N2C(=O)C=CC2=O)c(C)c1 97239 OXXJEEWPKQNYJK-UHFFFAOYSA-N 215.252 2.041 0 40 BEAB biogenic CCN(CCN1CCCCC1)c1ccccn1 1602368 BEIQEUUTCSNRIA-UHFFFAOYSA-N 233.359 2.394 0 40 BEAB CCOC(=O)/C=C/c1cccc(OC)c1 1624852 UPOMPRQKAGEXPN-BQYQJAHWSA-N 206.241 2.272 0 40 BEAB in-vitro Cn1ncc(Cl)c1C(=O)N1CCCCCC1 2807392 HDITZJOJCJHJFI-UHFFFAOYSA-N 241.722 2.090 0 40 BEAB CCCCn1c(=S)[nH]c2ncccc2c1=O 2959781 HYXPNXSWIJJMLB-UHFFFAOYSA-N 235.312 2.254 0 40 BEAB Nc1cccnc1-c1cccc(C(=O)O)c1 4244087 SQTOVETVJWMCLR-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB CCCC[C@@]1(CC)S[C@H](CC)C(=O)NC1=O 4897599 XTKVQQVNYFVKHI-BXKDBHETSA-N 243.372 2.494 0 40 BEAB COC(=O)c1cc2c(ccn2C)n1CC(C)C 5000617 HKLKZBVFCFQWIY-UHFFFAOYSA-N 234.299 2.422 0 40 BEAB CCOC(=O)[C@@H](C)[C@@](C)(O)c1ccccc1 5064360 PZTFVWFFIAHVSA-ZWNOBZJWSA-N 222.284 2.093 0 40 BEAB CCC(CC)(NC(=O)c1ccccc1)[C@H](C)O 5417134 HAYCCRPJZDPEPE-NSHDSACASA-N 235.327 2.356 0 40 BEAB CC(C)NC(=O)c1ccc(N2CCCC2)cc1 7383469 SIJDXJADXGNSSR-UHFFFAOYSA-N 232.327 2.425 0 40 BEAB C/C=C(/C)c1cnc(CC(C)C)c(=O)[nH]1 8627901 CPEXOOKUZLOULG-UITAMQMPSA-N 206.289 2.392 0 40 BEAB CCCC(=O)NCCc1nc2cc(F)ccc2[nH]1 12251339 AGUXLZSIIDGAAK-UHFFFAOYSA-N 249.289 2.161 0 40 BEAB CC(=O)N[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 12884070 BQOYCULMRNFJEI-SNVBAGLBSA-N 248.326 2.273 0 40 BEAB O=C(O)CCOc1cccc2c1CCCC2 13609414 HRDHBMGTLAJTFN-UHFFFAOYSA-N 220.268 2.419 0 40 BEAB CCCN1CNC(=S)N(c2cccc(C)c2)C1 13636083 SAEIYLNGMCDNQL-UHFFFAOYSA-N 249.383 2.317 0 40 BEAB Nc1nnc(-c2c(F)cccc2Cl)o1 19388745 OWAYIIRZEKFZKG-UHFFFAOYSA-N 213.599 2.111 0 40 BEAB in-vitro C[C@H]1Cc2ccccc2N1C1CCNCC1 19508340 DFVAWHTZPQAMMS-NSHDSACASA-N 216.328 2.190 0 40 BEAB in-vitro Cc1nc(C2CCNCC2)cc(C(F)(F)F)n1 19686140 HEYFDVBGHWJURM-UHFFFAOYSA-N 245.248 2.271 0 40 BEAB O=C(O)c1ccc(OCC2CCOCC2)cc1 20357726 BWOSOGFEOBIKIY-UHFFFAOYSA-N 236.267 2.190 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1 20486552 BTUJPYDRPJRPNQ-CQSZACIVSA-N 246.354 2.177 0 40 BEAB O=C1Cc2ccc(C(=O)c3ccccc3)cc2N1 22001086 AYJLPUOIDQSOLH-UHFFFAOYSA-N 237.258 2.412 0 40 BEAB CN(C)C(=O)Cc1ccc2ccccc2c1 34481867 WCIJMZDDUAMZOT-UHFFFAOYSA-N 213.280 2.471 0 40 BEAB CCOC(=O)c1n[nH]c2cc(F)c(F)cc12 35569401 QCEMIOUPWXULPJ-UHFFFAOYSA-N 226.182 2.018 0 40 BEAB in-vitro CC(C)C[C@H](N)C(=O)N(C)Cc1cccs1 35717471 PHICWTGYLQSQSV-NSHDSACASA-N 240.372 2.080 0 40 BEAB O=C(CCn1ncc2ccccc21)N1CCCC1 40757941 MSBNHDANUGUARC-UHFFFAOYSA-N 243.310 2.049 0 40 BEAB CC(=O)N[C@H](C)c1ccc2c(c1)CCC2 53389210 VDPZFDKQGHCORN-SECBINFHSA-N 203.285 2.372 0 40 BEAB O=C(O)C(F)(F)c1ccc(F)cc1F 55237941 BDQSGGPBZVNPRY-UHFFFAOYSA-N 208.110 2.141 0 40 BEAB Cc1ccc(C[C@@H](C(=O)O)N(C)C)cc1Cl 57533806 YRQWLEPVYFPIGB-NSHDSACASA-N 241.718 2.206 0 40 BEAB CCOC(=O)c1csc(Nc2cccnc2)n1 61968106 NMQQENRWTOHNJC-UHFFFAOYSA-N 249.295 2.458 0 40 BEAB Cc1cc2oc(NN)nc2c(C)c1Cl 62525511 KUESBSIEIOACGS-UHFFFAOYSA-N 211.652 2.384 0 40 BEAB C[C@@H](Nc1cnc2ccccc2n1)C(C)(C)O 65516062 RLMIBRXLRZXZMS-SECBINFHSA-N 231.299 2.201 0 40 BEAB CCCNC(=O)N[C@H](C)c1cccc(O)c1 68556336 BANRENMIBKWENG-SECBINFHSA-N 222.288 2.162 0 40 BEAB O=c1[nH]ccn2nc(-c3cccc(Cl)c3)cc12 70459035 JNPHDXABGRZHHC-UHFFFAOYSA-N 245.669 2.343 0 40 BEAB COC[C@@H](N)c1ccc(Br)cc1 71534512 AOPHCXXWOIWZSC-SECBINFHSA-N 230.105 2.095 0 40 BEAB C[C@H]1CN(Cc2c(F)cccc2Cl)CCN1 71556754 HDQPNNKJJLNBEJ-VIFPVBQESA-N 242.725 2.273 0 40 BEAB O=C(c1ccon1)N1CC[C@@H]2CCCC[C@@H]21 72057292 ZZSDUACRBVLCLG-ONGXEEELSA-N 220.272 2.079 0 40 BEAB COc1cc(C)c([C@@H]2CCCCN2C(C)=O)cn1 72218050 WXBQFCPGGLYAIK-ZDUSSCGKSA-N 248.326 2.472 0 40 BEAB c1nc([C@@H]2CCCNC2)cnc1NC1CCCC1 72386458 OSKTYDNUMVMRCC-LLVKDONJSA-N 246.358 2.298 0 40 BEAB Cc1ncn(Cc2nnc(C(C)C)o2)c1C 79090663 URIXSAYNBZCRBU-UHFFFAOYSA-N 220.276 2.055 0 40 BEAB NC1(c2ccc3c(c2)OC(F)(F)O3)CCC1 83050547 YHPODAKZLGKRPI-UHFFFAOYSA-N 227.210 2.346 0 40 BEAB CC(C)Cn1c([C@H]2CCNC2)nc2ccncc21 85347875 PYXXLYPXEQYXHR-NSHDSACASA-N 244.342 2.164 0 40 BEAB Cc1cc(C)cc(C(=O)CC2OCCO2)c1 85652262 WBLULCNBNCOIBW-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB Cc1cn2c(Cl)cc(Cl)nc2n1 89229086 DPPAJSXQRUXJHO-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB NCCOCc1cc(Cl)cc(Cl)c1 89262658 QJTFFQZHLAIHCR-UHFFFAOYSA-N 220.099 2.469 0 40 BEAB CC(C)(C)OC(=O)c1cccc(CO)c1 90157712 ZQSOBJZUBYGNAS-UHFFFAOYSA-N 208.257 2.134 0 40 BEAB Nc1cc(Cl)nc(OCC(F)(F)F)c1 91364257 MHIAQRHELCOCTK-UHFFFAOYSA-N 226.585 2.258 0 40 BEAB CCOC(=O)[C@H]1COc2ccc(Cl)cc2C1 95743782 JVNIZDSHIPLLAH-SECBINFHSA-N 240.686 2.454 0 40 BEAB CCCC(=O)N[C@H](C)CNc1ccccc1 96475439 JPBWHNJEUKFZTM-LLVKDONJSA-N 220.316 2.403 0 40 BEAB c1cn(C2CCCC2)nc1CSc1cn[nH]n1 97016197 VSAVZRWUPWZTPN-UHFFFAOYSA-N 249.343 2.409 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 107518281 UAAQTDBOUWOZSO-XCCSTKFXSA-N 247.338 2.271 0 40 BEAB OCc1cn(-c2ccccc2Cl)cn1 118907317 LBEYSRQFZHOPBR-UHFFFAOYSA-N 208.648 2.018 0 40 BEAB CO[C@@H]1CC[C@@H](CO)C[C@@H]1C(C)(C)C 149794957 PVCBBUOUYOKAAS-OUAUKWLOSA-N 200.322 2.456 0 40 BEAB Nc1cc(Cl)c(Cl)cc1OC1COC1 165346811 WIOZKJAJHBPIMO-UHFFFAOYSA-N 234.082 2.353 0 40 BEAB Clc1cccc2nc3n(c12)CCOC3 226251686 WMMLMOQKRDPDGW-UHFFFAOYSA-N 208.648 2.220 0 40 BEAB C[C@@H]1CC[C@@H](NCCc2ccnn2C)C[C@H]1C 253370951 YRFQWWUPZJCZGW-JHJVBQTASA-N 235.375 2.377 0 40 BEAB Cc1cn(C(C)C)nc1NCc1c(C)cnn1C 256051712 KHJGPCJCHDVQHH-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Cc1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C 335208602 FVMCYPUKMIYESG-JTQLQIEISA-N 234.347 2.140 0 40 BEAB CS(=O)(=O)c1ccc(C(F)F)s1 575629333 QRQBPPMSRVFQMG-UHFFFAOYSA-N 212.242 2.089 0 40 BEAB Cc1ccc2c(c1)c1ncnc(O)c1n2C 1888930293 NFWPCSJGWZYYAP-UHFFFAOYSA-N 213.240 2.136 0 40 BEAB COc1cc(Br)c(OC)c(C=O)c1 522670 CNIRVMKPXOOBEV-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB CC(=O)c1c(C)nc(-c2ccccc2)n1O 532712 URIZACHEOCEEER-UHFFFAOYSA-N 216.240 2.298 0 40 BEAB CC(C)c1ccc(CNn2cnnc2)cc1 576526 LPLBNQWPHSMLQO-UHFFFAOYSA-N 216.288 2.145 0 40 BEAB CCc1ccc(NC(=O)[C@@H]2CCCO2)cc1 1480353 PQOQDDZZSPWZQT-LBPRGKRZSA-N 219.284 2.367 0 40 BEAB C[C@H]1C[C@H]2Oc3ccc(Cl)cc3C(=O)N2O1 1869524 OJGJQQNLRVNIKE-QUBYGPBYSA-N 239.658 2.225 0 40 BEAB in-man C[C@@]1(C(Cl)(Cl)Cl)CC(=O)O1 2528030 MIYJBPXTAZJPGX-BYPYZUCNSA-N 203.452 2.062 0 40 BEAB O=C(O)[C@@H]1CCCN1Cc1cccc(Cl)c1 3747854 ZYBCTKJORPOWEA-NSHDSACASA-N 239.702 2.389 0 40 BEAB CC(C)N(C[C@@H](O)C(F)(F)F)C(C)C 4050533 JRYKIVPIIVAGDW-MRVPVSSYSA-N 213.243 2.028 0 40 BEAB O=C(O)[C@H]1CCCN(CCc2ccccc2)C1 4343310 BDXDRVVZESQZHR-ZDUSSCGKSA-N 233.311 2.026 0 40 BEAB in-vitro O=C(O)CC(=O)Nc1cc(Cl)ccc1Cl 9304551 RYFHZLYMWVCVCJ-UHFFFAOYSA-N 248.065 2.407 0 40 BEAB CN(C)c1ccc(CCCNC(=O)C2CC2)cc1 11693646 GRJMAMOQQKXSTJ-UHFFFAOYSA-N 246.354 2.211 0 40 BEAB Cc1cc(-c2ccnc(N)n2)c(C)s1 12953951 PJLNDILJQHALHH-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB CSc1nc(NC(=O)C2CCCCC2)n[nH]1 16248659 WQQAXXXFBNMRRU-UHFFFAOYSA-N 240.332 2.045 0 40 BEAB COCCN[C@H](C)c1cc(F)ccc1F 19881663 BNEDYDPYDDRZFF-MRVPVSSYSA-N 215.243 2.262 0 40 BEAB CCc1ccc(CNCCN2CCCC2)cc1 20126740 ZHJQXIXVYPZKMB-UHFFFAOYSA-N 232.371 2.434 0 40 BEAB COc1cc2sc(NN)nc2cc1Cl 22124520 LAQLBNBVEZDZFB-UHFFFAOYSA-N 229.692 2.244 0 40 BEAB CONC(=O)c1cc(Cl)nc2ccccc12 25823546 QPXSKOYMLXFGNL-UHFFFAOYSA-N 236.658 2.179 0 40 BEAB c1coc(-c2nnc(C3CCNCC3)s2)c1 26424266 FCFKATHRSRJSBC-UHFFFAOYSA-N 235.312 2.265 0 40 BEAB O=C(O)[C@H]1CCOc2ccc(Cl)cc21 26479662 KDOXMLTXESQYSR-ZETCQYMHSA-N 212.632 2.291 0 40 BEAB C[C@H]1c2ccc(O)cc2[C@]2(C)CCN(C)[C@H]12 32119720 YPKISZQTKHQMFL-FZZIBODNSA-N 217.312 2.471 0 40 BEAB COC(=O)c1ccc(NC(=O)C2CCC2)s1 32808670 WLKGHSSLJAYIJD-UHFFFAOYSA-N 239.296 2.273 0 40 BEAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1F 32983370 OCRYRBJMHLRCEV-JOYOIKCWSA-N 237.274 2.182 0 40 BEAB CSCC(=O)N[C@H]1CCCC[C@@H]1C 33028707 WEJVIVQDRMLGCH-IUCAKERBSA-N 201.335 2.044 0 40 BEAB CCOC(=O)c1coc(Br)c1 34327341 CKISFRZHUKFFRU-UHFFFAOYSA-N 219.034 2.219 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1nc2ccccc2s1 34926277 QENQUKIOSLLIGG-RQJHMYQMSA-N 219.265 2.484 0 40 BEAB Cc1n[nH]cc1CN[C@@H]1CCCC[C@@H]1C 35274034 QJPOMRYDLHMVRE-JOYOIKCWSA-N 207.321 2.386 0 40 BEAB Brc1nncc2ccccc12 35663623 OGSHJLOGCXPYPZ-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro Brc1cccc2cccc[n+]12 39268585 ROAAXERGPCCTDL-UHFFFAOYSA-N 209.066 2.188 0 40 BEAB O[C@]1(C(F)(F)F)CCc2ccccc2C1 43367988 SNJAOOHYPMEKLH-SNVBAGLBSA-N 216.202 2.469 0 40 BEAB COCCCNC(=O)Nc1ccc2c(c1)CCC2 43390730 HRJKLZWGNBNVOF-UHFFFAOYSA-N 248.326 2.333 0 40 BEAB CC(C)(C)OC(=O)CC[C@@H]1CCCNC1 43586573 KVRUUGQSHWPGOT-JTQLQIEISA-N 213.321 2.108 0 40 BEAB COCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 48324749 YSUOQZKOQNGYEQ-VXGBXAGGSA-N 239.359 2.378 0 40 BEAB O=C1NCCC[C@H]1c1ccc(Cl)cc1 57496073 SFIVSBGXIKWBOX-JTQLQIEISA-N 209.676 2.334 0 40 BEAB c1ccc(-n2nccc2[C@@H]2CCCNC2)cc1 62146709 IUYGSIPVDQCHKJ-GFCCVEGCSA-N 227.311 2.339 0 40 BEAB CCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 71728036 YJZHWAHHDUWLBR-NSHDSACASA-N 249.310 2.146 0 40 BEAB O[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1 72206496 PAWWGIPNHRNTQI-JTQLQIEISA-N 231.217 2.276 0 40 BEAB CC(C)CN1CCC[C@H](c2ccncn2)C1 72361108 SXCPPZPZCNCMJW-LBPRGKRZSA-N 219.332 2.312 0 40 BEAB CCOc1ccc(CCC(=O)OC)c(OC)c1 85393427 DSUHGDSKLPMMIA-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CC1 89827972 SIXZOAQDUXMOHH-WCQYABFASA-N 230.311 2.252 0 40 BEAB CCOC(=O)/C=C(\Cl)C(F)(F)F 90463084 CJLDUCGLKBVTIB-ARJAWSKDSA-N 202.559 2.235 0 40 BEAB CN1CC[C@@H](SCCc2ccccc2)C1=O 95431613 QXNBQLSURQZRNU-GFCCVEGCSA-N 235.352 2.193 0 40 BEAB C[C@@H](Cc1cccnc1)OC(=O)C[C@H]1CCCO1 95987702 AUUKXDZIAHGXJB-WCQYABFASA-N 249.310 2.125 0 40 BEAB CN(CCCc1ccncc1)C[C@@H]1CCCO1 96012928 JJGVVBBVEWQURN-AWEZNQCLSA-N 234.343 2.125 0 40 BEAB Cc1ccsc1COC(=O)c1ccnn1C 97047015 HDAYVSOYZIDGON-UHFFFAOYSA-N 236.296 2.147 0 40 BEAB Nc1nc(S[C@H]2CCc3ccccc3C2)n[nH]1 97103003 JNNHVGTYZVMHDT-JTQLQIEISA-N 246.339 2.037 0 40 BEAB CC(C)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100610233 ZKNGMOFSLSZLST-MGPQQGTHSA-N 222.376 2.201 0 40 BEAB CC(C)C[C@@H](CO)N[C@@H]1C[C@H]2CC[C@H]1C2 101617186 GGASHPDUNHTKNF-ZDEQEGDKSA-N 211.349 2.172 0 40 BEAB Cc1ccccc1N(CC(=O)O)C(C)C 107148634 ULSUVOFUAUBJPC-UHFFFAOYSA-N 207.273 2.294 0 40 BEAB Cc1ccc(F)cc1CN(C)C[C@@H](O)C1CC1 195572361 HEBGISYPMQGPPP-CQSZACIVSA-N 237.318 2.337 0 40 BEAB CCCCNC(=O)c1cnc(C(C)C)nc1C 222568471 IRGYXCXHBNMMMC-UHFFFAOYSA-N 235.331 2.438 0 40 BEAB C[C@@H]1c2ccccc2N[C@H](C)[C@H]1C(=O)O 225816793 QVQNTCOQTCPKLU-XLDPMVHQSA-N 205.257 2.305 0 40 BEAB CC(C)Oc1ncc(Cl)cc1C(=O)O 238165719 IWUNRYLASQNOMN-UHFFFAOYSA-N 215.636 2.220 0 40 BEAB CC(C)n1nc(C(=O)O)cc1C(F)(F)F 256052534 NSHXFHUWJCWDHR-UHFFFAOYSA-N 222.166 2.181 0 40 BEAB CCn1cc(CNc2ccnn2C(C)C)cn1 256053712 SNPHXWCZBFZMTD-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB O[C@@H](c1cccc(Cl)n1)C(F)(F)F 257197487 AWRGAJVHXZSXNK-LURJTMIESA-N 211.570 2.331 0 40 BEAB CCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)n1 257246703 IVKPFXBEJYFZSJ-GFCCVEGCSA-N 247.342 2.221 0 40 BEAB CC(=O)OCC(=O)c1cc(F)c(Cl)c(F)c1 382672570 BATNSUNESSGLLA-UHFFFAOYSA-N 248.612 2.364 0 40 BEAB Cc1ccoc1CN(C)c1cccnn1 573658266 GVQWXQAXAICOLT-UHFFFAOYSA-N 203.245 2.014 0 40 BEAB Cc1cn2cc(Br)nc(C)c2n1 584605617 ZUULQOKAEUOVEU-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB CC(C)(C)C(=O)NCc1nc2ccccc2[nH]1 200674 IXZYRVDUAHDANC-UHFFFAOYSA-N 231.299 2.225 0 40 BEAB CCC[C@@H](N)P(=O)(OCC)OCC 1707651 KVHJLSZFDBFTDS-QMMMGPOBSA-N 209.226 2.337 0 40 BEAB C[C@@H](NC1=NCCS1)c1ccccc1 3239379 JXFZUEXOEBPBHP-SECBINFHSA-N 206.314 2.440 0 40 BEAB in-vitro O=C(Cn1cnc2ccccc21)NC1CCCC1 4912889 ILKUPAPZDANCFK-UHFFFAOYSA-N 243.310 2.095 0 40 BEAB OC[C@@H]1CCCC[C@H]1NCc1ccccc1 4975493 BRQFIORUNWWNBM-UONOGXRCSA-N 219.328 2.327 0 40 BEAB O=C(Nc1cccc2ncccc12)[C@H]1CCCO1 5770071 GGNKQRLCIGPBLB-CYBMUJFWSA-N 242.278 2.352 0 40 BEAB Nc1nc2ccccc2c(=O)n1C1CCCCC1 12860171 MDLNXUGKMOYAMS-UHFFFAOYSA-N 243.310 2.484 0 40 BEAB CC(C)NC(=O)c1cc2ccccc2[nH]1 12946715 FAIUHDKHIFKHPO-UHFFFAOYSA-N 202.257 2.306 0 40 BEAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)O 13609398 BYIZXCPIBNWEMR-SECBINFHSA-N 220.268 2.417 0 40 BEAB CNC(=O)c1oc2c(F)cccc2c1C 14169351 QYHXUCYAHVQCEE-UHFFFAOYSA-N 207.204 2.240 0 40 BEAB Nc1cc(Cl)c(N2CCCCC2)cc1N 16606325 IVDAKQHWLXIFMV-UHFFFAOYSA-N 225.723 2.495 0 40 BEAB CC(C)CCSc1nc(N)nc2[nH]cnc12 17299446 AJNGBMQJJUEBSK-UHFFFAOYSA-N 237.332 2.073 0 40 BEAB Fc1cccc(-c2noc3c2CNCC3)c1 19200212 FLAOUDPXYMNWMD-UHFFFAOYSA-N 218.231 2.126 0 40 BEAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccccc1F 19575156 NZRKNMWYVXNMMZ-TZMCWYRMSA-N 248.345 2.494 0 40 BEAB CCc1cccc2sc(N3CCNCC3)nc12 19946387 JGUKYNTWQZZSDA-UHFFFAOYSA-N 247.367 2.268 0 40 BEAB c1cc2c(cc1CNC1CCCC1)OCCO2 20085929 LXWUEJKMTADWQB-UHFFFAOYSA-N 233.311 2.490 0 40 BEAB C[C@@H](c1ccccc1)n1cnnc1S 20583452 IYZFIFLYDCCUFS-QMMMGPOBSA-N 205.286 2.176 0 40 BEAB C=CC(=O)Oc1c(F)c(F)cc(F)c1F 34100162 GXJPHSMOOJJMKN-UHFFFAOYSA-N 220.121 2.334 0 40 BEAB in-vitro CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 34300804 AAWGPUXIHPRTHQ-JTQLQIEISA-N 215.300 2.372 0 40 BEAB OCc1coc(-c2cccc(Cl)c2)n1 35149570 FIAOFEVLHBDYDQ-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB CCCNC(=O)c1cc(N)ccc1N1CCCC1 35192723 RMKIBHQSGOKMHC-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB COCCSc1ccc([C@H](C)N)cc1 35322056 ILSISFPAOKEPMC-VIFPVBQESA-N 211.330 2.445 0 40 BEAB in-vitro CCSc1cc(C(=O)OC)c(OC)cc1N 37594109 NLBWZSGIHPCZBG-UHFFFAOYSA-N 241.312 2.176 0 40 BEAB Nc1ccc2c(c1)c1ccccc1n2CC(=O)O 38478278 KYOFKSKTUDFVRE-UHFFFAOYSA-N 240.262 2.461 0 40 BEAB CCOC(=O)C(F)(F)[C@H](O)c1ccc(F)cc1 40539642 RDPNAVYCIBHZJK-SECBINFHSA-N 248.200 2.058 0 40 BEAB C[C@H]1COC[C@@H](C)N1C(=O)Nc1ccccc1 40634694 YHUZAHVPIQCQGA-PHIMTYICSA-N 234.299 2.328 0 40 BEAB CCc1ccccc1OC[C@@H]1CCNC1 42772596 UIADPBRYEUIULD-LLVKDONJSA-N 205.301 2.237 0 40 BEAB COC(=O)[C@@H](O)c1ccc(Cl)cc1Cl 50974525 MBKWYAIWCGDULQ-QMMMGPOBSA-N 235.066 2.200 0 40 BEAB CCOC(=O)c1cc(Cl)cc(N)c1OCC 57332078 FRHYUZRRYYGGCU-UHFFFAOYSA-N 243.690 2.498 0 40 BEAB CCc1nc2ccccc2n1[C@H]1CCNC1 62807708 CRIUPAQFNBSLJE-JTQLQIEISA-N 215.300 2.133 0 40 BEAB Cc1ccc2c(c1)[C@H]1CCC[C@@H]3NCCN2[C@@H]31 64038117 GMKHTMHRPNKUFI-OSAQELSMSA-N 228.339 2.423 0 40 BEAB CC(C)(C)OC(=O)n1ncc2cc(CO)ccc21 71261508 BWIUNQAJGYXSRV-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccnc(C)c1 72219451 ONKJTTOMVVIQDV-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CC[C@@H](N)c1ccc(N(C)CC)nc1C 72224286 WMWJWOGONAWLLW-LLVKDONJSA-N 207.321 2.256 0 40 BEAB CC(=O)COc1cc(C(=O)O)cc2oc(C)cc12 72228326 PEQURHPZMFSEIB-UHFFFAOYSA-N 248.234 2.407 0 40 BEAB C[C@@H]1CSCCN1C(=O)Nc1ccncc1 72291891 SEIQEGMNJAUCTM-SECBINFHSA-N 237.328 2.051 0 40 BEAB CCN(CC(=O)O)c1cc(C)ccc1C 76583968 JJRRJBCATFJEGY-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB CCN(C)c1ccccc1NC(=O)[C@H]1CCCO1 78601342 LHQXVAHUQABLAS-CYBMUJFWSA-N 248.326 2.260 0 40 BEAB COCO[C@H]1CCC[C@H]1NCc1ccccc1 82170001 KLSHYHGEMOHBQU-KGLIPLIRSA-N 235.327 2.318 0 40 BEAB O=C(O)c1c(Cl)cccc1NC(=O)C1CC1 82563552 WJMMUJYVKAYTEQ-UHFFFAOYSA-N 239.658 2.387 0 40 BEAB Cc1nc(CNc2ccc(F)c(C)c2)no1 86206120 QJIVBFKZHPTMGK-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB NC(=O)c1csc(CN[C@@H]2CC=CCC2)c1 86573777 VJVJEPMXGLFHCB-SNVBAGLBSA-N 236.340 2.045 0 40 BEAB c1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccn1 89884956 YCSMPAGHWBMOIM-KBPBESRZSA-N 232.327 2.225 0 40 BEAB C[C@H]1CN(C(=O)C2CCC2)C[C@H](C)S1 89937058 HNPMPRCBBDFCIN-IUCAKERBSA-N 213.346 2.139 0 40 BEAB NCCc1ncc(C(F)(F)F)cc1Cl 91301608 BEESBQNARXNIDL-UHFFFAOYSA-N 224.613 2.255 0 40 BEAB CC(=O)Cc1cc(C)c2cc3c(cc2n1)OCO3 95096708 RGIAPDZQTOGKED-UHFFFAOYSA-N 243.262 2.403 0 40 BEAB CCOc1cc(C(=O)O)cc(F)c1F 95731867 FRXXOPZIVDCGAR-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB O=C(O)c1nc(Br)sc1C1CC1 98095485 RTRDSWYJZRWTQI-UHFFFAOYSA-N 248.101 2.481 0 40 BEAB CN1C(=O)S/C(=C\NC2CCCCC2)C1=O 100264455 RTFUPRUEYJPEMS-CLFYSBASSA-N 240.328 2.075 0 40 BEAB Cc1ncsc1-c1cncc([C@H]2CCCN2)n1 205686848 DKOFWCVKSDXXNW-SECBINFHSA-N 246.339 2.333 0 40 BEAB CCOc1ccc2nccc(NCCN)c2c1 222681506 SVDZBPNFOBJRBI-UHFFFAOYSA-N 231.299 2.004 0 40 BEAB Cc1cc(CNc2nn(C(C)C)cc2C)n(C)n1 256050971 HFPCFKSHIKQLRU-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CCOC(=O)c1ccc(C(=O)C2CCC2)o1 261173329 GQLDVFVSKZLWFC-UHFFFAOYSA-N 222.240 2.439 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]12CCC[C@H](N)C2 606301459 DIIOWUSIKPFWQZ-GWCFXTLKSA-N 240.347 2.267 0 40 BEAB CC1(C)COC(c2cc(Cl)ccn2)=N1 1987974922 HYGQXJBGEMRERM-UHFFFAOYSA-N 210.664 2.290 0 40 BEAB C[C@H](OC(=O)CCC(=O)O)c1ccccc1 2569291 IITVAEZXZLJTLD-VIFPVBQESA-N 222.240 2.156 0 40 BEAB Brc1ccc([C@@]23CNC[C@H]2C3)cc1 101793320 KHJRUTSPEDPIBP-MWLCHTKSSA-N 238.128 2.310 0 40 BEAB CCC[C@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 345810 CUTUPAFHGKKFBU-NWDGAFQWSA-N 247.294 2.357 0 40 BEAB CCOCCCNC(=O)Cc1ccc(C)cc1 6387184 BXEXDJJGFLIHJB-UHFFFAOYSA-N 235.327 2.080 0 40 BEAB CC[C@H](C)NCCOC(=O)c1ccccc1 6412302 NRZGGCJHXOTBPP-NSHDSACASA-N 221.300 2.232 0 40 BEAB c1cc(CNCc2ccsc2)ccn1 7365320 UTQXMQCFRKIAQF-UHFFFAOYSA-N 204.298 2.433 0 40 BEAB Cc1cc(NC(=O)CCc2c(C)noc2C)no1 24491907 ZUCXXGHAWVWMLK-UHFFFAOYSA-N 249.270 2.159 0 40 BEAB CCOCCCNC(=O)CCc1ccccc1 2805274 GIZPAIRXPICIGW-UHFFFAOYSA-N 235.327 2.162 0 40 BEAB O=C(O)C[C@H]1CCCN1C(=O)C1CCCCC1 42144180 NEOXUKZCJYPCPM-LLVKDONJSA-N 239.315 2.032 0 40 BEAB CCCCOC(=O)c1ccc(OC)c(N)c1 20155862 PPGBWBCCZYJITA-UHFFFAOYSA-N 223.272 2.234 0 40 BEAB CNC[C@@H](OC(C)C)c1ccc(OC)cc1 50483395 USZXBURDLLGQGR-CYBMUJFWSA-N 223.316 2.381 0 40 BEAB Cc1cc(C(=O)O)c(C)n1-c1cccnc1 12526562 PMSMVKOSDJTWFT-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB in-vitro COCCN1C[C@H](C)[C@@H]1c1ccccc1 108093292 SOYYRQOYUDFRHQ-WCQYABFASA-N 205.301 2.326 0 40 BEAB C[C@H]1CCCN(CCC2CCNCC2)C1 26513923 QVOYSWKQIXCAOQ-LBPRGKRZSA-N 210.365 2.108 0 40 BEAB COc1ccc(NC(=O)N2CCCCCC2)cn1 48019289 RWCHBXWUPKTRES-UHFFFAOYSA-N 249.314 2.498 0 40 BEAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1C(=O)O 44749786 XDNSSUFHGGPISC-GZMMTYOYSA-N 233.267 2.288 0 40 BEAB Cc1oc(C)c(C(=O)NC2=NCCS2)c1C 12989970 MIGSOHXVIKVSNX-UHFFFAOYSA-N 238.312 2.037 0 40 BEAB COC(=O)CSc1nccn1-c1ccccc1 4003111 NJEGNRYVXORUGZ-UHFFFAOYSA-N 248.307 2.137 0 40 BEAB CCOCCN1C[C@@H](c2ccccc2)OC[C@@H]1C 67228433 SXPHZRKYIZFDIU-ZFWWWQNUSA-N 249.354 2.485 0 40 BEAB CSCCC(=O)N[C@H]1C[C@H]1c1ccccc1 67503987 CKDTVPGSUBOLAQ-RYUDHWBXSA-N 235.352 2.412 0 40 BEAB CC(=O)n1c2c(c3ccccc31)C[C@H](C)OC2=O 68605369 VGVTUAICVWSZBQ-QMMMGPOBSA-N 243.262 2.403 0 40 BEAB Cc1ccc([C@H](C(=O)O)N2CCCC2)cc1 16739302 GLVCZQPNGPMPNZ-GFCCVEGCSA-N 219.284 2.217 0 40 BEAB COc1cc(C)c(C(=O)O)cc1Cl 71508110 AHFTWOUIHLEZHE-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB in-vitro CNC(=O)c1ccc(F)c(COCC2CC2)c1 96430548 PGXCMEGIANWDOO-UHFFFAOYSA-N 237.274 2.112 0 40 BEAB CC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1 97047195 DYIZHOFSGISING-KBPBESRZSA-N 247.338 2.067 0 40 BEAB CCOC(=O)CCCc1ccc2c(c1)CC(=O)N2 72275612 ZFWSQVYPPZHFQI-UHFFFAOYSA-N 247.294 2.067 0 40 BEAB CCCCS(=O)(=O)N1CCC2(CCCC2)C1 95402927 IFDNPJAGDGBIGO-UHFFFAOYSA-N 245.388 2.382 0 40 BEAB CCN1C(=O)/C(=C/c2ccc(C)cc2)NC1=S 24048784 MACHTIJSKHINIC-FLIBITNWSA-N 246.335 2.073 0 40 BEAB CCC(=O)c1ccc(OC(C)=O)c(OC)c1 3175589 YTDPXTAVZROPBD-UHFFFAOYSA-N 222.240 2.213 0 40 BEAB biogenic CCc1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 217815957 JLOMSCUIDGZYPV-MNOVXSKESA-N 218.252 2.152 0 40 BEAB COC[C@]1(c2ccccc2)CC[C@H](N)C1 217812538 XSPOKWJVSZYKEQ-STQMWFEESA-N 205.301 2.082 0 40 BEAB COc1ccc(Br)c(F)c1CO 75925998 NQHRKRDJNQZCTI-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB Brc1cc(O[C@@H]2CCOC2)ccn1 44118716 CBAWETFXXRONTI-MRVPVSSYSA-N 244.088 2.012 0 40 BEAB Cc1occc1C(=O)N1CCOC2(CCCC2)C1 89540599 CSEVUCGNVNNQQP-UHFFFAOYSA-N 249.310 2.373 0 40 BEAB Cc1c(Cl)cccc1N(C)CC(=O)O 49815519 MIXZUQSNEROQDI-UHFFFAOYSA-N 213.664 2.169 0 40 BEAB COc1cccc(CC2(C(=O)O)CCC2)c1 83570217 SCPXMYNEFWIRSR-UHFFFAOYSA-N 220.268 2.493 0 40 BEAB Cc1cccc(NC(=O)c2cnco2)c1 82320941 BLUNRNVSDHRBFT-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB Clc1nnc2cc(Br)ccn12 95644283 VKJDULANWDFTES-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB N[C@H]1CCCC[C@@H]1NCc1ccccc1 95775689 LATNVBUKYCPGPI-STQMWFEESA-N 204.317 2.046 0 40 BEAB COc1ccc(F)cc1C1([C@@H](C)O)CC1 84390280 CLCUVKQVWXUTAE-MRVPVSSYSA-N 210.248 2.247 0 40 BEAB Cc1cc(NCc2ccn(C)n2)nn1CC(C)C 256053182 QKEFSEGICQMPNF-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB Cc1cn(C)nc1NCc1cnn(CC(C)C)c1 256054901 YGLYDCBQABBTMU-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB C[C@@]1(C(=O)O)Cc2ccc(Cl)cc2O1 260311322 ZIQJOEYXMOHUEH-JTQLQIEISA-N 212.632 2.118 0 40 BEAB O=C1CC(=O)c2cc(Cl)cc(Cl)c2O1 575623574 KUAUDNDQXULJDC-UHFFFAOYSA-N 231.034 2.485 0 40 BEAB C[C@H]1CCC[C@@H](C)N1CCOC[C@H]1CCCO1 75021234 BZKFNNNEUOGECC-HZSPNIEDSA-N 241.375 2.445 0 40 BEAB NCC12C[C@@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2 100021471 KTRQRZZJQJJSOO-ITSCGTHASA-N 223.316 2.006 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCCO 34676159 KAQXLSAOMMGBQJ-JHJVBQTASA-N 213.365 2.419 0 40 BEAB Cc1cc(NC(=O)/C=C/c2cccs2)n(C)n1 13596342 CMMYAYNJDFDDGU-AATRIKPKSA-N 247.323 2.442 0 40 BEAB C[C@H](NC(=O)C1CCCC1)c1ccccn1 15512741 OKXFONYBTYCVKO-JTQLQIEISA-N 218.300 2.449 0 40 BEAB CCNC(=O)N1CCC[C@@H]2CCCC[C@@H]21 16681684 IXPJBWBFZPNKKG-QWRGUYRKSA-N 210.321 2.371 0 40 BEAB CCOC(=O)c1cc(=O)c2cc(CC)ccc2[nH]1 4983407 VRYOGXMKSIQIDQ-UHFFFAOYSA-N 245.278 2.267 0 40 BEAB O=C(Nc1ccncc1)c1cccc(Cl)n1 51072613 CCZOOWVBFKEKSF-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB Cc1ccn2cc(C(=O)NC3CCCC3)nc2c1 928611 RKEDOTYEGHXNPW-UHFFFAOYSA-N 243.310 2.315 0 40 BEAB CNC(=O)c1oc(-c2ccccc2)nc1C 1397911 CTGHSRVYHHBWCY-UHFFFAOYSA-N 216.240 2.010 0 40 BEAB COc1ccc(N2C(=O)CCC2=S)cc1 1674598 BCDLKDLNQZXPBJ-UHFFFAOYSA-N 221.281 2.149 0 40 BEAB CCC(=O)NC[C@@H]1C[C@@H]1c1cccc2c1CCO2 3981996 PTOIAAWZLUQTIO-GWCFXTLKSA-N 245.322 2.251 0 40 BEAB in-vitro NCCc1nc2cc(Cl)ccc2s1 4219224 WLRNHOUULSVXDQ-UHFFFAOYSA-N 212.705 2.451 0 40 BEAB CCCCSc1nc2c(c(=O)[nH]1)CCC2 8578712 SDQFKDFGDPUANU-UHFFFAOYSA-N 224.329 2.151 0 40 BEAB C[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1 9479862 JVGJHTLLCFAHMR-SECBINFHSA-N 245.257 2.107 0 40 BEAB Cc1ccccc1-c1nnc([C@H](C)N)o1 11586081 SPXSCCMLXDRMEW-QMMMGPOBSA-N 203.245 2.065 0 40 BEAB Cc1ccc(SCN2CCN(C)CC2)cc1 19368960 QMRXUQVQVHIDGP-UHFFFAOYSA-N 236.384 2.292 0 40 BEAB C[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1 24045790 OSEXSQZPYFPVBH-NSHDSACASA-N 232.327 2.160 0 40 BEAB CC[C@@H](C)n1c(CO)nc2ccccc21 27587684 SDEMGGPUAXRUTI-SECBINFHSA-N 204.273 2.500 0 40 BEAB CCN(CC)C(=O)c1cccc2cn[nH]c12 32779861 PRAVPKIKEFXDLT-UHFFFAOYSA-N 217.272 2.045 0 40 BEAB CCNCc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 36281151 NWEZDVJLJHUQHN-ZWNOBZJWSA-N 232.327 2.391 0 40 BEAB COC(=O)[C@](C)(N)c1ccc(C(F)(F)F)cc1 37514661 YLEREJIVAJYLLU-SNVBAGLBSA-N 247.216 2.052 0 40 BEAB CC(C)N1CCC(O)(c2cccs2)CC1 40237551 NAMUZISVJINDKF-UHFFFAOYSA-N 225.357 2.440 0 40 BEAB CONC(=O)C1(c2cccc(Cl)c2)CCC1 42697031 BPPNUJUWIAGCJP-UHFFFAOYSA-N 239.702 2.439 0 40 BEAB COC(=O)CCC(=O)c1cccc(C)c1C 43368584 RDHAYRKCWITIIQ-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB C[C@@H]1CN(Cc2cccc(Cl)c2)CCN1 71531991 XHNYQZBPUPLYHZ-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB O=C(c1ccccc1)N1CC[C@@H](c2cc[nH]n2)C1 72187667 HYIBGZSDQBRUSW-GFCCVEGCSA-N 241.294 2.039 0 40 BEAB Cc1cc([C@H](O)c2ccccc2)cnc1N 72222044 XNIZDAWNVSBPFC-GFCCVEGCSA-N 214.268 2.054 0 40 BEAB c1cc([C@@H]2CN(C3CCCCC3)CCO2)ncn1 72381190 OIUOZLVJQDFCHT-AWEZNQCLSA-N 247.342 2.183 0 40 BEAB CC(C)NC(=O)c1ccc2[nH]ccc2c1 74715557 UQVDVBQSPSAUIG-UHFFFAOYSA-N 202.257 2.306 0 40 BEAB CCN(CC)C(=O)c1ccc2c(c1)nc(C)n2C 74957414 FBNYXPIWZMNHGY-UHFFFAOYSA-N 245.326 2.364 0 40 BEAB C[C@@](O)(C(=O)O)c1nc(-c2ccccc2)cs1 75866801 BMGHAVURJDEUPE-LBPRGKRZSA-N 249.291 2.102 0 40 BEAB CC[C@@H](C(=O)OC1COC1)c1ccccc1 78612888 ZYLGNHFOEGREAI-GFCCVEGCSA-N 220.268 2.122 0 40 BEAB O=C(O)c1cc(-c2c(F)cccc2F)on1 84198963 VRHQYKYGNSOSOS-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB N[C@@H](c1cc(Cl)ccn1)C(F)(F)F 95761371 DHJAKRJDZPEGQU-LURJTMIESA-N 210.586 2.297 0 40 BEAB CC(=O)c1cc(F)nc(C(F)(F)F)c1 95761840 TUSIFJOUMIWEND-UHFFFAOYSA-N 207.126 2.442 0 40 BEAB CC1=CCN(C(=O)NCc2ccco2)CC1 95974964 NXVJNIADOZEJIB-UHFFFAOYSA-N 220.272 2.141 0 40 BEAB CCOCC(=O)N[C@H]1CCC[C@H](SCC)C1 96451457 PJXUJQQRCXELGP-QWRGUYRKSA-N 245.388 2.203 0 40 BEAB COC(=O)c1noc2c1COc1ccccc1-2 96527010 DSLTVUMEBBNFFJ-UHFFFAOYSA-N 231.207 2.021 0 40 BEAB CCOC[C@@H](C)Nc1ccc(-n2ccnn2)cc1 97371322 SIJAYNFWHRUPGC-LLVKDONJSA-N 246.314 2.104 0 40 BEAB CC(=O)c1cccc(NC(=O)c2cnco2)c1 169958138 UWHCJUZTQSAOBY-UHFFFAOYSA-N 230.223 2.130 0 40 BEAB CCNC(=O)c1ccc(N2CCCCC2)c(N)c1 213347235 GBDFJTQSTKTKNL-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCN 215266270 KIHBGMMPOOXDGZ-GHMZBOCLSA-N 242.363 2.228 0 40 BEAB CC(=O)NCc1ccc([C@@H]2CCCCCN2)o1 217460923 IWFONKNXPHCYAZ-LBPRGKRZSA-N 236.315 2.120 0 40 BEAB CCCNC(=O)COc1cccc2c1CCCC2 225447081 JJBQBUVCASYDMW-UHFFFAOYSA-N 247.338 2.470 0 40 BEAB C[C@@H](O)c1cn(-c2cc(F)ccc2Cl)nn1 231835065 UKKJSYDJLJGETF-ZCFIWIBFSA-N 241.653 2.113 0 40 BEAB Nc1cc(-c2cc(F)c(F)cc2F)n[nH]1 238619404 RYGQDKXEEWRDEY-UHFFFAOYSA-N 213.162 2.076 0 40 BEAB CCNCc1c(Cl)nc2sc(C)cn12 256052971 PKOMMCHERPRXTI-UHFFFAOYSA-N 229.736 2.467 0 40 BEAB CCOC(=O)C1(c2c(C)cccc2C)CC(=O)C1 685937336 PLRNTJFXFJJBBM-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB O=C(NC1CCCC1)N1CCC[C@@H](CF)C1 711503911 WZAOYEOLPYFEBW-JTQLQIEISA-N 228.311 2.320 0 40 BEAB COCC(=O)Nc1cc(C)c(Cl)cc1OC 149962 WLQQPPGPZJZXLE-UHFFFAOYSA-N 243.690 2.242 0 40 BEAB O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccco1 309160 YLFDWHNAWXHWCL-UHFFFAOYSA-N 243.218 2.202 0 40 BEAB Cc1ccc(N)cc1NC(=O)c1ccncc1 873956 OXDXXBXREHAVEA-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB in-vitro CSc1nc(Cl)cc(-n2ccnc2C)n1 1402793 RXGHOUIFPTVCEE-UHFFFAOYSA-N 240.719 2.346 0 40 BEAB CCC[C@]1(C)NCCO[C@]1(O)c1ccccc1 1622224 OUPZQTOWDCRSCT-UONOGXRCSA-N 235.327 2.010 0 40 BEAB CCCCNC[C@H]1COc2ccccc2O1 5513878 ODRQYAHPAJZPQP-NSHDSACASA-N 221.300 2.216 0 40 BEAB in-man C[C@@H](N[C@@H]1CCC[C@@H]1O)c1ccccc1 6443365 XRTOQDRFDAUSLY-RTXFEEFZSA-N 205.301 2.251 0 40 BEAB S=c1[nH]ccn1-c1ccc2c(c1)OCO2 12375231 XWFMSJPCIMBVQD-UHFFFAOYSA-N 220.253 2.264 0 40 BEAB CC1CCC(NC(=O)c2ccncc2)CC1 12928046 CXNHVTWHPOLWFP-UHFFFAOYSA-N 218.300 2.390 0 40 BEAB NC(=O)c1cccnc1-c1cnc2ccccc2c1 20869422 SCRSUYWMYUUOMW-UHFFFAOYSA-N 249.273 2.396 0 40 BEAB O[C@H](c1ccncc1)c1ccc(F)cc1 21983386 DKEGHLJMSDFYLF-LBPRGKRZSA-N 203.216 2.302 0 40 BEAB in-vitro Nc1cc(C(=O)NCc2ccccc2)ccc1F 32101574 VIBUQMWOLKQQLV-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB CC(C)CC[C@@H](C)n1cnc2nccnc2c1=O 32500737 SWSDUQOUBTVYNP-SNVBAGLBSA-N 246.314 2.184 0 40 BEAB COCCCNc1ccc(Br)cn1 36926681 HHNYDNCKLGPDQJ-UHFFFAOYSA-N 245.120 2.293 0 40 BEAB in-vitro NC(=O)c1cc(-c2ccc(Cl)cc2)on1 39375894 JOMSNFWJCQPETH-UHFFFAOYSA-N 222.631 2.094 0 40 BEAB CC(C)(C)c1ncc2c(n1)CCCC2=O 40449127 QAHBPIINCJQJQX-UHFFFAOYSA-N 204.273 2.293 0 40 BEAB CN(Cc1ccccc1)[C@@H]1CCCC[C@H]1O 40457240 JBKPJCRFOPWOGF-ZIAGYGMSSA-N 219.328 2.422 0 40 BEAB CC(=O)N1C[C@H](C)O[C@@H](c2ccc(C)cc2)C1 41422256 UNSUUAYHBGLISC-SMDDNHRTSA-N 233.311 2.303 0 40 BEAB C[C@](CCc1ccccc1)(C(=O)O)n1ccnc1 41892601 OGKZNTFJBPODOU-AWEZNQCLSA-N 244.294 2.316 0 40 BEAB CCOC(=O)N1CC[C@H]2Nc3ccccc3[C@@H]2C1 44563926 VBDDIOPVRQTWKP-WCQYABFASA-N 246.310 2.427 0 40 BEAB CCC[C@H](C)NCCC(=O)OC(C)(C)C 47218949 CZAYEBWYBQCNAX-JTQLQIEISA-N 215.337 2.496 0 40 BEAB NCC1(Cc2ccccc2F)CCOCC1 61673919 LUWCDAKJCYXUKG-UHFFFAOYSA-N 223.291 2.124 0 40 BEAB Cc1cc(C)c2c(c1)ncc1c(=O)o[nH]c12 64874522 YTZMRVNCMXBJLG-UHFFFAOYSA-N 214.224 2.286 0 40 BEAB CC/C=C/COC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 71859289 XIZCHDVRYIZLJD-RVAOTSRCSA-N 234.299 2.033 0 40 BEAB Nc1nccc(-c2ccc3ncccc3c2)n1 72207323 DLBPXGJWAGIUCF-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB O=C(Cc1cccnc1)N1CCc2ccccc21 74724523 CQDLDSXGRCMTSK-UHFFFAOYSA-N 238.290 2.213 0 40 BEAB Cc1ccc(C(=O)NC2CCOCC2)cc1F 79022407 OHAJOXSAFGYPTP-UHFFFAOYSA-N 237.274 2.043 0 40 BEAB CCOc1ccc([C@@H]2CCCN2CCO)cc1 81646231 NOQUKSXSTRJZSM-AWEZNQCLSA-N 235.327 2.215 0 40 BEAB Cc1cccc(C)c1-n1cnc(C(=O)O)c1 82535220 FJTXLUHBRVNRMZ-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB Cc1ccccc1NC(=O)[C@@H]1CCCCCN1 83896460 WOACAQKDPLFSMO-ZDUSSCGKSA-N 232.327 2.466 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1ncccc1O 84358864 QKYGYXXTJJVSRH-VIFPVBQESA-N 218.256 2.082 0 40 BEAB CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 85520005 AUBPIXRPSSUKAZ-NEPJUHHUSA-N 205.301 2.452 0 40 BEAB in-vitro Brc1ccc([C@H]2CCCNC2)nc1 95827090 PIGROURKQOAHBJ-QMMMGPOBSA-N 241.132 2.311 0 40 BEAB Cc1cccc(O)c1NC(=O)Cc1cccnc1 95995398 JHSLHKPTEQDAKM-UHFFFAOYSA-N 242.278 2.277 0 40 BEAB CCOC(=O)NC[C@H](OC)c1ccccc1C 96104900 HLEANHNMLHUQDF-LBPRGKRZSA-N 237.299 2.429 0 40 BEAB CC1(C)C[C@H](NC(=O)c2cccnc2)C(C)(C)O1 97047099 MATNPKHPIFCMTH-NSHDSACASA-N 248.326 2.158 0 40 BEAB CC(C)c1ccccc1N1C[C@H](C(=O)O)C[C@H]1O 101322686 WUHLHTXBWLRYKD-ZWNOBZJWSA-N 249.310 2.039 0 40 BEAB C[C@@H]1COc2cc(Br)ccc2CN1 107253997 TWQBMUSGLKMLOM-SSDOTTSWSA-N 242.116 2.320 0 40 BEAB CC[C@H]1NCCC[C@@H]1[C@@H](O)c1ccccc1 216536485 HTUWJVPCNGAXBL-MJBXVCDLSA-N 219.328 2.498 0 40 BEAB COC[C@]1(c2ccccc2)CC[C@@H](N)C1 217812350 XSPOKWJVSZYKEQ-OLZOCXBDSA-N 205.301 2.082 0 40 BEAB CCc1ccc(C(=O)[C@H]2C[C@H]2C(=O)OC)cc1 217817623 BVISVLOWLVLWLN-NWDGAFQWSA-N 232.279 2.241 0 40 BEAB CN1CCC[C@@H]1C[C@H]1CNc2cccc(O)c21 504729502 IEZDBJGTSJCFTD-WDEREUQCSA-N 232.327 2.386 0 40 BEAB COCOc1c(F)cc(C=O)cc1Cl 1083799941 CZMPZDIROMVKAQ-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB CSc1nc(C)cc(NC2CCOCC2)n1 1153739491 JJPFDEKACHGPPI-UHFFFAOYSA-N 239.344 2.098 0 40 BEAB Nc1cc(Br)c2c(c1)OCCCO2 1535646331 ZIKARQKCWKZWAC-UHFFFAOYSA-N 244.088 2.193 0 40 BEAB COc1nc(C(C)C)c(N)c2c1CCC2 2088617661 CUEWEQDCWGPMOM-UHFFFAOYSA-N 206.289 2.285 0 40 BEAB CC(Nc1nccs1)Nc1nccs1 1572852 DBARANPRQPBDBY-UHFFFAOYSA-N 226.330 2.470 0 40 BEAB CN(C)C(=O)Sc1nnc(C(C)(C)C)o1 1580454 NTGVFRHRSOBFQY-UHFFFAOYSA-N 229.305 2.141 0 40 BEAB CCN(C(=O)NC)c1cc(C)ccc1OC 1754274 RCFHBAAUHXBDKQ-UHFFFAOYSA-N 222.288 2.169 0 40 BEAB Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 1997916 XUZIJAZCGHGONC-OAHLLOKOSA-N 238.290 2.031 0 40 BEAB O=c1ccccn1-c1nc2ccccc2s1 367532 CAGAXLAVBAIBST-UHFFFAOYSA-N 228.276 2.447 0 40 BEAB CC(=O)n1c2ccccc2c2n[nH]c(=S)nc21 3188466 JEADYHYRMOGIOV-UHFFFAOYSA-N 244.279 2.302 0 40 BEAB O=C(O)[C@@H]1CCCN1C(=O)C1CCCCCC1 53713331 IQCDEUARSVOVDW-NSHDSACASA-N 239.315 2.032 0 40 BEAB CCC[C@@]12CCC(=O)N1[C@H]1CCCC[C@@H]1N2 9937024 HFBNSQOMCGXKBX-GVXVVHGQSA-N 222.332 2.020 0 40 BEAB O=C(O)[C@@H]1SCCc2sccc21 34091186 LJDDCXKISNJWCA-SSDOTTSWSA-N 200.284 2.163 0 40 BEAB in-vitro Cc1cc(CN(C)C(=O)C[C@H]2C=CCC2)no1 47665376 YOSUZNYNMDHULQ-NSHDSACASA-N 234.299 2.298 0 40 BEAB c1ccc(CNCC2CCOCC2)cc1 35630096 XZPFTZDEAVJQGZ-UHFFFAOYSA-N 205.301 2.203 0 40 BEAB in-vitro CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C)[C@H]1[C@H]2C 100743945 XECHVXPHGHIOKX-SYLRKERUSA-N 210.317 2.232 0 40 BEAB CCN1CCN(CCCOc2ccccc2)CC1 58341184 ANSAVWHULZVUSL-UHFFFAOYSA-N 248.370 2.093 0 40 BEAB O=C1OCCN1CCSCc1ccccc1 69895140 LPIAIUHVGYIKQS-UHFFFAOYSA-N 237.324 2.372 0 40 BEAB COc1ccc(C(=O)Nc2ccccn2)cc1F 9322062 GHBFLCKNUMZISC-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CN[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 49708357 IHQIWSDHRQUUHL-JSGCOSHPSA-N 218.344 2.116 0 40 BEAB in-vitro Nc1cccc(C(=O)Nc2cccc(O)c2)c1 5338055 CBJLNMIJFXDPRU-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB Cc1ccc(N2C(=O)c3ccncc3C2=O)cc1 6737263 JIWWFYXUAOBDIL-UHFFFAOYSA-N 238.246 2.191 0 40 BEAB CONC(=O)c1ccc2ccccc2c1 5997981 RRZFDZZYQIHCNK-UHFFFAOYSA-N 201.225 2.131 0 40 BEAB O=C(Nc1nc2c(s1)CCC2)C1CCC1 9449103 KUUYSKLELFHKEL-UHFFFAOYSA-N 222.313 2.370 0 40 BEAB CCC[C@H]1CCCC[C@H]1NC(=O)COC 71796117 GEFMBXWDCJMAFY-WDEREUQCSA-N 213.321 2.108 0 40 BEAB CCCN(CC(=O)O)Cc1ccc(F)c(F)c1 83662973 LHCXKRXJMUMQEL-UHFFFAOYSA-N 243.253 2.261 0 40 BEAB C[C@@H](NCC1OCCO1)c1ccc(Cl)s1 97111515 KZQVWXFGFAIWLS-SSDOTTSWSA-N 247.747 2.425 0 40 BEAB CC(C)SCC(=O)NCCc1ccccc1 84622355 SZKAUEZCDBSNSV-UHFFFAOYSA-N 237.368 2.487 0 40 BEAB CC(C)C(=O)Nc1cccc([C@H](C)O)c1 35646426 XMOZKAQSEVGTBU-VIFPVBQESA-N 207.273 2.334 0 40 BEAB Cc1cc(CNc2ncccc2C)n(C)n1 72226661 JXUSAXXGFKBXMF-UHFFFAOYSA-N 216.288 2.044 0 40 BEAB CN(CCc1ccncc1)Cc1cncs1 183753330 YZXQEKCITVAEEI-UHFFFAOYSA-N 233.340 2.213 0 40 BEAB O=C(Nc1ccc(=S)[nH]n1)c1cccs1 61966017 WTIXVLRMPPDXIM-UHFFFAOYSA-N 237.309 2.453 0 40 BEAB CCCNC(=O)c1cc(N)ccc1NC(C)C 225452534 WFKAWJCBQHMPEC-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB CCCc1c(C(=O)OCC)n[nH]c1Cl 225808266 ITRFRWHRSQNECB-UHFFFAOYSA-N 216.668 2.192 0 40 BEAB Cc1nc(N)c2ncccc2c1Br 40169791 NZJPXSRFNUASJE-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB CO[C@@H]1CCNC[C@H]1Cc1ccc(C)cc1 221690914 RNLHWIWROBMZDV-ZIAGYGMSSA-N 219.328 2.162 0 40 BEAB CC(=O)O[C@@H](C)[Si](C)(C)c1ccccc1 195761002 XJRWJDXQKYDTNE-LLVKDONJSA-N 222.360 2.093 0 40 BEAB C[C@H]1COC[C@H](C)N1C(=O)CSC(C)(C)C 98012937 YWXFLDBTTFAXPN-UWVGGRQHSA-N 245.388 2.154 0 40 BEAB CO[C@H]1CCCC[C@H]1N[C@@H]1CCSC1 96478625 UDXPMZQHAYZHAC-MXWKQRLJSA-N 215.362 2.039 0 40 BEAB Cc1nnc(Oc2ccc(F)cc2)nc1C 335384303 QCWAWCNRRIDSJW-UHFFFAOYSA-N 219.219 2.420 0 40 BEAB O=C1OCOc2cc(Br)c(F)cc21 258830892 ITWLIISWXPHSHY-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB O=C(Cc1ccsc1)Nc1cccnc1 47465241 CWWYHQUKLDIKAR-UHFFFAOYSA-N 218.281 2.324 0 40 BEAB O=C(NO)Nc1cccc2ccccc12 5280510 IXDFQPOGVOEHAN-UHFFFAOYSA-N 202.213 2.351 0 40 BEAB CCCS(=O)(=O)Nc1ccccc1C 5310747 HQLXYHNUMCSOEC-UHFFFAOYSA-N 213.302 2.147 0 40 BEAB CCc1nc(C)cn1C(=O)c1ccccc1OC 5634217 OPUJAGZVOZPBOB-UHFFFAOYSA-N 244.294 2.451 0 40 BEAB CC[C@@H](CN)c1ccc(OC)c(OC)c1 19726107 NQGJJYCJKYLBSM-VIFPVBQESA-N 209.289 2.156 0 40 BEAB Cc1ccc(CNC(=O)c2cnn(C)c2C)s1 40541710 UNFDCBXMMMMSSM-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB NC[C@@H](O)c1cc(-c2ccco2)cs1 1775974122 BTHMEQXKGRIRQP-MRVPVSSYSA-N 209.270 2.000 0 40 BEAB C/C=C/C=C/C(=O)NCc1cccnc1OCC 30309490 YTRASQRWNXLVCE-USXIXMCRSA-N 246.310 2.229 0 40 BEAB O=C(O)[C@H]1COc2ccc3ccccc3c2C1 20284413 WOGFRQYQWSZVJK-SNVBAGLBSA-N 228.247 2.476 0 40 BEAB in-vitro C[C@H](CC(=O)O)CC(=O)Nc1ccc(F)cc1 100922 ZHXFWLHEVUOFRR-QMMMGPOBSA-N 239.246 2.265 0 40 BEAB CCOc1nc(C)nc2c1sc(=S)n2C 118012 VFMIGJARKSWIAC-UHFFFAOYSA-N 241.341 2.466 0 40 BEAB Cc1ccnc(SC[C@H]2CCCCN2)n1 51332213 JSTBHKFBHTUHCO-SNVBAGLBSA-N 223.345 2.019 0 40 BEAB Nc1nnc(COc2ccccc2Cl)s1 509463 NQLYOHVQLYTUDV-UHFFFAOYSA-N 241.703 2.353 0 40 BEAB O=c1nc2n(c3ccccc13)Cc1ccccc1-2 519029 XFTFEVDUFOHBTF-UHFFFAOYSA-N 234.258 2.425 0 40 BEAB biogenic Cc1cc(C)cc(NC(=O)c2cnsn2)c1 935404 RSXXQOOHSVGEJV-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CCCc1nnc(NC(=O)C(C)(C)C)s1 1022425 GMMCOOOUDUJFSW-UHFFFAOYSA-N 227.333 2.475 0 40 BEAB Cc1ccc2nc(Cl)c3nncn3c2c1 2499448 PREVWXCYQSQVIM-UHFFFAOYSA-N 218.647 2.239 0 40 BEAB Cc1ccccc1-c1csc(NN)n1 4294027 GAZUWYGXUBZGCU-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1cc(C)ccc1C 5120488 ZMCWPPSBNAFYHL-NSHDSACASA-N 241.356 2.380 0 40 BEAB CC[C@]1(C)NC(=N)Nc2nc3ccccc3n21 5422753 MYLMXQMQEPKGGQ-GFCCVEGCSA-N 229.287 2.069 0 40 BEAB C[C@@H](O)[C@@H](O)c1cccc(C(F)(F)F)c1 5751672 ISBSOFZWSJBJSW-HZGVNTEJSA-N 220.190 2.120 0 40 BEAB CC(C)(C)NCC(=O)Nc1ccc(Cl)cn1 6563363 PRZZTGIJEMZLGF-UHFFFAOYSA-N 241.722 2.062 0 40 BEAB CCOC(=O)c1c[nH]nc1-c1ccc(OC)cc1 8700045 KYTLTMIUNGPXPA-UHFFFAOYSA-N 246.266 2.262 0 40 BEAB CCOCc1nc2sc(C)c(C)c2c(=O)[nH]1 8715533 CYGKXWSFEPECEJ-UHFFFAOYSA-N 238.312 2.138 0 40 BEAB CCCC/C=C/[C@H](C(=O)OC)[C@@H](C)C(=O)O 14438769 PYXTXZWCWQONTK-PSFRMBJNSA-N 228.288 2.243 0 40 BEAB O=C(c1cccs1)N1CCCC[C@@H]1CCO 16430499 LCOWRBPTTAOZCG-SNVBAGLBSA-N 239.340 2.125 0 40 BEAB CCC[C@H](C)NC(=O)c1ccc(N)cc1 19390920 DOQXWJVGJBYOMQ-VIFPVBQESA-N 206.289 2.187 0 40 BEAB CC(C)c1ccc([C@H](CN)N(C)C)cc1 19796042 BSDWAFYGYONRKD-ZDUSSCGKSA-N 206.333 2.371 0 40 BEAB O=C(NCc1ccccn1)c1ccc(Cl)o1 22242491 NOMQGHSUXQRHMU-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB CC(C)(CC(=O)O)c1ccc(C=O)cc1 26441424 MJZCELIQDBZFCR-UHFFFAOYSA-N 206.241 2.251 0 40 BEAB O=P(O)(O)CCCCc1ccccc1 26893607 PJOFGDOSMWTOOQ-UHFFFAOYSA-N 214.201 2.187 0 40 BEAB Cc1nn(C)c(C)c1C(=O)NCc1cccs1 29709577 FNLNFICGMWMDRD-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB Cc1ccccc1OCc1nnc(S)o1 32500947 OYGJVMQJOBCWKW-UHFFFAOYSA-N 222.269 2.246 0 40 BEAB CNC(=O)c1cnn(-c2ccccc2)c1C(C)C 32779902 VJRPAIBZBVAFLC-UHFFFAOYSA-N 243.310 2.355 0 40 BEAB CC(=O)Nc1cc(N)c(Br)cc1F 34090393 ZIABKTZYXSSVSX-UHFFFAOYSA-N 247.067 2.129 0 40 BEAB O=C(O)[C@@H]1CCCN1CCCOc1ccccc1 35303781 FGXRVXDHQZYPKP-ZDUSSCGKSA-N 249.310 2.005 0 40 BEAB COc1cc([C@@H]2C[C@H]2C(=O)O)c(OC)cc1C 37627905 VMFWTMSAKRISTM-WCBMZHEXSA-N 236.267 2.200 0 40 BEAB CC(C)(C)CNC[C@@H](O)COc1ccccc1 40493502 GPDRYYUPHPMIRL-GFCCVEGCSA-N 237.343 2.062 0 40 BEAB COc1ccc(C2(CC(=O)O)CC2)cc1 41214552 SPJVDEUQTCFVRM-UHFFFAOYSA-N 206.241 2.202 0 40 BEAB N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 43642007 IFQRFSKEHYUZAT-ILXRZTDVSA-N 230.355 2.246 0 40 BEAB Cc1ccccc1N1CC[C@@]2(CCCNC2)C1=O 44136569 IEZYTOSMSFZUFY-OAHLLOKOSA-N 244.338 2.102 0 40 BEAB O=C(O)CCc1ncc(-c2ccc(F)cc2)o1 49786156 XCFZOPRHLRLVDB-UHFFFAOYSA-N 235.214 2.498 0 40 BEAB NC[C@]1(CO)C[C@H]1c1ccc(C(F)(F)F)cc1 62713791 BBNDOWPZRLHQRV-QWRGUYRKSA-N 245.244 2.130 0 40 BEAB CC(C)CCNCc1cnc(NC(C)C)nc1 62717647 MVRJOYKIHTUVLZ-UHFFFAOYSA-N 236.363 2.433 0 40 BEAB CSc1cc(=O)c2ncccc2s1 71255396 UNBRTHHMALLVRA-UHFFFAOYSA-N 209.295 2.378 0 40 BEAB COC(=O)c1cccc(C=O)c1Br 72191318 CNQNIZZOOUMRHI-UHFFFAOYSA-N 243.056 2.048 0 40 BEAB c1c[nH]c(SCCCSc2ncc[nH]2)n1 78989004 UBOPPFCINCMIDP-UHFFFAOYSA-N 240.357 2.407 0 40 BEAB CC(C)(C)Cc1noc([C@H]2CCCNC2)n1 82673401 ZLFQYHKOPZRJMR-VIFPVBQESA-N 223.320 2.125 0 40 BEAB Cc1cnc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 84258208 SMUXLIXJKADXCD-YPMHNXCESA-N 245.326 2.190 0 40 BEAB CNCc1cc(Br)c(C)o1 85394277 VFQBQMCNCCGKSY-UHFFFAOYSA-N 204.067 2.070 0 40 BEAB COCc1ccc(I)o1 85395507 IRDXYYHYLWNGKY-UHFFFAOYSA-N 238.024 2.031 0 40 BEAB O=c1cc(Cn2cccn2)c2cc(F)ccc2o1 85399436 VRKICFLLHUMVLE-UHFFFAOYSA-N 244.225 2.177 0 40 BEAB COc1ccnc(CN(C)[C@H]2CCSC2)c1 89937771 RHTZEWDDALXLFZ-NSHDSACASA-N 238.356 2.028 0 40 BEAB NCc1csc(-c2cnn(CC3CCC3)c2)n1 95093943 SUFAPQJAHXZGRV-UHFFFAOYSA-N 248.355 2.265 0 40 BEAB Cc1ccc([C@@H](N)c2n[nH]c(C3CC3)n2)cc1 95534159 LPWRYHGMTDCUDU-LLVKDONJSA-N 228.299 2.039 0 40 BEAB Cc1ccc(COC(=O)c2cc(C)ncn2)cc1 96501710 CDYUIUYIULOQGZ-UHFFFAOYSA-N 242.278 2.450 0 40 BEAB CCCCOc1ccccc1CN1CC[C@H](O)C1 97095391 ZHZUNVHLOBKBEF-AWEZNQCLSA-N 249.354 2.432 0 40 BEAB Cc1cc(CN)ccc1I 98096526 VONVWXHJZNTGFZ-UHFFFAOYSA-N 247.079 2.058 0 40 BEAB CCOC(=O)c1c(C)nn(-c2ccccc2)c1O 100904762 VQYSTHNGNYGCGO-UHFFFAOYSA-N 246.266 2.063 0 40 BEAB Nc1cc(F)c(C(=O)O)c(C(F)(F)F)c1 137697041 FPGNOJDECIHQTE-UHFFFAOYSA-N 223.125 2.125 0 40 BEAB CCOC(=O)c1[nH]ccc1-c1ccncc1 198044468 WOYSZAGZNZSGRX-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 210267252 MEJZJAFDQUWFSB-TWGQIWQCSA-N 235.264 2.058 0 40 BEAB COc1ccccc1N[C@@H]1CCCC[C@@H]1N 218857898 HKMJGMFSZBIRSZ-WDEREUQCSA-N 220.316 2.377 0 40 BEAB CCOc1cccc2c(NCCN)ccnc12 222681241 DLBATWSSEHNZRP-UHFFFAOYSA-N 231.299 2.004 0 40 BEAB Clc1cc(Cl)nc(NC2CC2)n1 232764367 PSQRJHBCMKZLQW-UHFFFAOYSA-N 204.060 2.358 0 40 BEAB CCNCCO[C@@H]1CC[C@]12CCC21CC1 242437347 BZVWUBCXQPNHJR-YPMHNXCESA-N 209.333 2.335 0 40 BEAB CCCN1CC[C@H](N)[C@H](Cc2ccccc2)C1 242722757 XUDDQMRVXJSXHV-CABCVRRESA-N 232.371 2.288 0 40 BEAB O=c1ccc(C2CC2)nn1C1CCCC1 289435259 SOAOIVGGTLLVMH-UHFFFAOYSA-N 204.273 2.236 0 40 BEAB Clc1ccc2c(c1)CCC[C@@]21COCCN1 306145837 RWXLCZJQDFCYHD-CYBMUJFWSA-N 237.730 2.491 0 40 BEAB FC(F)COCc1ccn(C(F)F)n1 408716836 RORCZQYSAFWEKG-UHFFFAOYSA-N 212.146 2.060 0 40 BEAB O[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 575607099 UTQREKASYJEKDV-ZDUSSCGKSA-N 230.311 2.125 0 40 BEAB Cc1ccn(C(=O)c2ccccc2C)n1 504475 OCRROYMSJFVJNZ-UHFFFAOYSA-N 200.241 2.188 0 40 BEAB C[n+]1ccc2c(Br)cccc2c1 1710739 YCTNBTWOYBICJY-UHFFFAOYSA-N 223.093 2.427 0 40 BEAB Fc1cccc2sc(N3CCOCC3)nc12 4078339 FCTSGZPILMIUTP-UHFFFAOYSA-N 238.287 2.272 0 40 BEAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCO1 2773677 VWFLYEWALAAOCG-TZMCWYRMSA-N 247.338 2.303 0 40 BEAB Cc1c(N)cccc1C(=O)N1CCC(C)CC1 8703646 TVQJTMWEMBGWJZ-UHFFFAOYSA-N 232.327 2.449 0 40 BEAB Cc1cc2c(cc1C)/C(=C/C(N)=O)NC(C)(C)C2 102676961 DXCOCPOTYURGHS-QPEQYQDCSA-N 244.338 2.054 0 40 BEAB Cc1nc(NC(=O)c2ncccc2O)sc1C 42573670 WIYCGGRSJLUOEO-UHFFFAOYSA-N 249.295 2.113 0 40 BEAB CC(C)C[C@H](CO)N[C@@H]1C[C@H]2CC[C@H]1C2 101617188 GGASHPDUNHTKNF-WUHRBBMRSA-N 211.349 2.172 0 40 BEAB COC(=O)Cc1ccc(NC(=O)CC(C)C)cc1 42636986 YMHBGOJBCSFWDJ-UHFFFAOYSA-N 249.310 2.387 0 40 BEAB Cc1c(CCN[C@H]2C[C@H]3CC[C@H]2C3)cnn1C 110703340 XYOPEMZCERWFMW-OBJOEFQTSA-N 233.359 2.049 0 40 BEAB C[C@H]1Cc2cc(-c3cc(CO)no3)ccc2O1 26421021 SLWVFRMGBCNCRO-QMMMGPOBSA-N 231.251 2.157 0 40 BEAB Cc1nc(C(=O)Nc2ccc(F)cc2)co1 22606350 JIWOSDSPXXEHQH-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB CC[C@@](C)(NCc1ccccc1)C(=O)OC 37952479 VWZJRJFDEGQECF-CYBMUJFWSA-N 221.300 2.118 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1C 3443039 JOXNDFIMRHMELY-LLVKDONJSA-N 241.356 2.380 0 40 BEAB CCc1nnc(NC(=O)CCC(C)C)s1 12918001 CJSKLZQNBJTSHF-UHFFFAOYSA-N 227.333 2.475 0 40 BEAB CCN[C@@H](c1ccccc1)[C@H]1CCOC1 48624494 XUEJOCIXALVVRQ-STQMWFEESA-N 205.301 2.374 0 40 BEAB COc1ccc([C@H](N)CC(=O)OC(C)C)cc1 4219128 PIDBAHHGPSWQCF-GFCCVEGCSA-N 237.299 2.037 0 40 BEAB CC1=CC[C@@H]([C@@]2(C)CC(C(=O)O)=NO2)CC1 39402906 BVSRPFFUJYAQCM-BXKDBHETSA-N 223.272 2.352 0 40 BEAB C[C@@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C 4342748 PUVALBABJRFOQO-NWDGAFQWSA-N 217.312 2.486 0 40 BEAB O=C(O)c1cc(Cl)c(C(=O)O)c(Cl)c1 4390302 LJUJMEBEACINIP-UHFFFAOYSA-N 235.022 2.390 0 40 BEAB Cc1c(N(C)C)nc2ccccc2c1N 4339842 AXUBKLLTEIJCBG-UHFFFAOYSA-N 201.273 2.191 0 40 BEAB Cc1nc(CSCC(=O)NC(C)C)cs1 9039983 RMKDZMPTAAIKJV-UHFFFAOYSA-N 244.385 2.209 0 40 BEAB C[C@H](N[C@@](C)(CO)C1CC1)c1ccco1 97045729 IEXVTNOINUVLHD-CABZTGNLSA-N 209.289 2.091 0 40 BEAB CCOCCS[C@@H](C)C(=O)N1CCCCC1 97114020 TYHDBLZRNCGSFM-NSHDSACASA-N 245.388 2.157 0 40 BEAB Brc1cncc(CN2CCCC2)c1 78644610 UAZLPRVDXABSND-UHFFFAOYSA-N 241.132 2.440 0 40 BEAB CCOc1ccc(CN[C@H](C)c2nc[nH]n2)cc1 95455312 CPKYWUCPKARDLI-SNVBAGLBSA-N 246.314 2.054 0 40 BEAB CC(C)(C)C1CCC([C@H](O)C(=O)O)CC1 85446479 LMASIWKHEKAGMQ-RTBKNWGFSA-N 214.305 2.284 0 40 BEAB CCCNC(=O)c1ccc(Cl)cc1N 20156111 ANGDOQGIJBNKFH-UHFFFAOYSA-N 212.680 2.062 0 40 BEAB in-vitro C[C@@H]1CC[C@@H](C)N(c2cc(Cl)nc(N)n2)C1 85696304 KYPFPKVBRCSIMQ-HTQZYQBOSA-N 240.738 2.337 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1ccc(C)cc1 185424674 RBQCVPSSLGNHGS-SNVBAGLBSA-N 236.267 2.103 0 40 BEAB Clc1ccc2c(c1)C1(CCNCC1)CN2 79032893 YSVJREIBZDWEOQ-UHFFFAOYSA-N 222.719 2.387 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(-n2nccn2)cc1 32926583 PAXVCPSLORFSEC-UHFFFAOYSA-N 244.298 2.252 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@H](C)O 72223474 NBMDPWBCLDRSQW-JTQLQIEISA-N 206.289 2.044 0 40 BEAB CC(C)C(=O)OC[C@H]1CCCN2CCCC[C@@H]12 13425062 OKDZSBOUVNBQMR-OLZOCXBDSA-N 239.359 2.450 0 40 BEAB biogenic C[C@@](O)(CN)c1cc2ccccc2s1 217432097 NCQJTSRNYWDNCQ-LLVKDONJSA-N 207.298 2.068 0 40 BEAB CNc1ccc([C@H]2CCCCN2C(C)=O)cn1 72212510 XINVUMHYQFOQNS-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB CCc1nc(-c2ccc(C)c(N)c2)no1 225174107 UGFHQZQZMAZPJF-UHFFFAOYSA-N 203.245 2.190 0 40 BEAB C[C@H](Cc1ccc(O)cc1)NC1CCC(N)CC1 130541671 RDKUBGDHTAVLSH-LMWSTFAQSA-N 248.370 2.183 0 40 BEAB O=C([C@@H]1CCCOC1)N1CC[C@H]2CCCC[C@@H]21 89818693 VXMDLWLMHWTWQH-UPJWGTAASA-N 237.343 2.204 0 40 BEAB Cc1cnc(Cn2ncc(Cl)c2C)o1 89702359 SYDKJKNAQOOIEH-UHFFFAOYSA-N 211.652 2.190 0 40 BEAB C[C@@H](NC(=O)c1cnco1)c1ccccc1 82305983 YPMQQHCCLPFZID-SECBINFHSA-N 216.240 2.166 0 40 BEAB CCOCCCNC(=O)C1(c2ccccc2)CC1 41510120 VVYPBVLHTNIADT-UHFFFAOYSA-N 247.338 2.261 0 40 BEAB CCCCCNc1cc(Cl)nc(N)n1 82190505 FSQVBVBZHAURTH-UHFFFAOYSA-N 214.700 2.314 0 40 BEAB COC[C@H](Oc1ccc(Cl)cc1C)C(=O)O 84556601 KWSBLWJEYJZDMO-JTQLQIEISA-N 244.674 2.127 0 40 BEAB O[C@H]1CCC[C@H]1c1ccc(Br)cn1 85400033 AFHTXLQAHTXYEQ-WPRPVWTQSA-N 242.116 2.473 0 40 BEAB COC(=O)c1cc(F)ccc1O[C@@H](C)F 199823692 FBEAUHRIFCKVCG-LURJTMIESA-N 216.183 2.307 0 40 BEAB COC(=O)CCC(=O)c1cccc(F)c1F 82522905 DFWAGYVFXJRQTG-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB COC[C@@H](C)OC(=O)c1ccc(OC)cc1C 96442115 KFBUQMOTKWPCJZ-SNVBAGLBSA-N 238.283 2.195 0 40 BEAB CSC[C@@H](C)C(=O)Nc1cc(F)ccc1O 96452125 GFFAEIAEZXOWTB-SSDOTTSWSA-N 243.303 2.469 0 40 BEAB Cn1c(CCCO)nc2cccc(Cl)c21 95095680 LQDGSOYQARDSRK-UHFFFAOYSA-N 224.691 2.152 0 40 BEAB CCc1ccc([C@H](NCC(N)=O)C(C)(C)C)o1 96491812 PDXNIAIYVZVUBS-LBPRGKRZSA-N 238.331 2.004 0 40 BEAB Nc1cc(Br)cnc1C(F)(F)F 95917718 VRJBUQOEALODDG-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB CSc1ccc(CNc2nc(C)nn2C)cc1 97094817 VDKSADCDJMYQFI-UHFFFAOYSA-N 248.355 2.458 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1CCCO 709907188 ZFSSZBSNEABTDC-NXEZZACHSA-N 247.310 2.106 0 40 BEAB S=C(Nc1ccncc1)NC1CCCC1 13837244 WOPGLERDSJKCFK-UHFFFAOYSA-N 221.329 2.311 0 40 BEAB CNc1nn(-c2ccccc2)c2c1C(=O)CCC2 14607140 GSVPCLVXPZLFKV-UHFFFAOYSA-N 241.294 2.433 0 40 BEAB Cn1cnnc1[C@@]1(C)CCCN(C2CCCC2)C1 607855407 VXHDJQIGPYTJAV-AWEZNQCLSA-N 248.374 2.111 0 40 BEAB O=C(O)c1cc2c(OC(F)F)cccc2[nH]1 4218751 XGOYZKXAIYPMPZ-UHFFFAOYSA-N 227.166 2.468 0 40 BEAB in-vitro Cc1ccccc1C(=O)N1CCCC[C@H]1C(=O)O 21951221 CQNZFMNCMRSHAK-LBPRGKRZSA-N 247.294 2.074 0 40 BEAB in-vitro CC(C)[C@@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C 107273258 AYGAKZNBXDBMCG-QWRGUYRKSA-N 242.363 2.369 0 40 BEAB COc1ccc(Nc2nccc(OC)n2)cc1 151955 QCNHDNFCJYNJDI-UHFFFAOYSA-N 231.255 2.237 0 40 BEAB Cc1cccc(NCn2nnc3ccccc32)n1 19015039 RQLFRCQRYLVZLZ-UHFFFAOYSA-N 239.282 2.204 0 40 BEAB O=C(CNC1CCCC1)Nc1ccccc1F 20037066 WPLLFJZFCFUFKD-UHFFFAOYSA-N 236.290 2.296 0 40 BEAB CCOC(=O)c1sc(=S)n(CC)c1N 90779 HUQLNLCBTRLVTF-UHFFFAOYSA-N 232.330 2.058 0 40 BEAB O=C(O)c1ccccc1C(=O)Nc1nccs1 143077 IVSBFRVZTXHJLR-UHFFFAOYSA-N 248.263 2.094 0 40 BEAB CC(=C\C(=O)O)/C(=C/c1ccc(C)o1)C(=O)O 339842 VYSHNWBPRAODAM-ZUVZAJTGSA-N 236.223 2.087 0 40 BEAB CC(C)(C)S(=O)(=O)Cc1ccccc1 394543 ZENYDXCNBNPHRU-UHFFFAOYSA-N 212.314 2.400 0 40 BEAB Cc1cccc(C(=O)NCc2ccccn2)c1O 1440429 NWUBWLGSLDVIHI-UHFFFAOYSA-N 242.278 2.026 0 40 BEAB O=C1C[C@@H]2CCC[C@@H](c3ccccc3)[C@]2(O)O1 2099742 ZMWQOEWNVDTTKC-SGMGOOAPSA-N 232.279 2.206 0 40 BEAB biogenic CCCCOC[C@@H](O)Cn1cnc2ccccc21 2182513 LBXDGWRHXXOQOU-LBPRGKRZSA-N 248.326 2.214 0 40 BEAB CN(C)C(=O)CCc1nc2ccccc2s1 3310279 VATLSTXHXLSXAT-UHFFFAOYSA-N 234.324 2.317 0 40 BEAB CCCc1n[nH]c(=S)n1NCc1ccco1 7601423 YCZZMZFKYKNLBB-UHFFFAOYSA-N 238.316 2.230 0 40 BEAB Cc1csc(NC(=O)Nc2ccncc2)n1 10343744 YRPKLBGQYVDGDJ-UHFFFAOYSA-N 234.284 2.491 0 40 BEAB O=C(O)[C@H](Cc1ccncc1)c1ccccc1 11570617 XHXGOYRSBXUBAM-CYBMUJFWSA-N 227.263 2.493 0 40 BEAB Clc1cccc(CO[C@@H]2CCNC2)c1 14632041 PUXHYZZJFMFSQG-LLVKDONJSA-N 211.692 2.219 0 40 BEAB CC(=O)c1cc(F)ccc1-n1ccnc1 19871201 BQFNIFXLMNWHDH-UHFFFAOYSA-N 204.204 2.214 0 40 BEAB in-vitro Cc1ccc(C(=O)N2CCC(C)CC2)cc1N 20194703 JWCYRFXFAOISIW-UHFFFAOYSA-N 232.327 2.449 0 40 BEAB COc1ccc(-c2nc(CN)cs2)cc1 20438875 AHRNKLGCQSQHPQ-UHFFFAOYSA-N 220.297 2.277 0 40 BEAB O=C(CCn1cccn1)Nc1ccccc1F 20989157 JAZVPOMJYAIFLZ-UHFFFAOYSA-N 233.246 2.051 0 40 BEAB CC(=O)c1csc(NC(=O)C=C(C)C)n1 22897668 NSNIYMUNTDCEPH-UHFFFAOYSA-N 224.285 2.250 0 40 BEAB O=C(Nc1nc[nH]n1)c1cc2ccccc2s1 23142080 VOMNALDHZUYLAN-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB Cc1c(Cl)cccc1NC(=O)Cn1ccnc1 29594085 QDBYITIOLFGQAE-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(O)c1 33028967 ROFVSPPLKSBBHZ-BDAKNGLRSA-N 205.257 2.295 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccccc1 34265399 SPRHBCOBGFZPAI-QWRGUYRKSA-N 218.252 2.370 0 40 BEAB C[C@@H](O)CNCc1cccc(C(F)(F)F)c1 35111389 NXDIZEHYKGFIGK-MRVPVSSYSA-N 233.233 2.176 0 40 BEAB CCN(C(=O)[C@@H](N)CC(C)C)C1CCCC1 35766374 MDCBIWTVDZWHMY-LBPRGKRZSA-N 226.364 2.151 0 40 BEAB CCOC(=O)CCOc1ccccc1F 36667492 CWSZOOPSLRBJRR-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB CC(C)N(CCC(=O)O)c1ccccc1 37474239 ALRYEUDWCWWDBO-UHFFFAOYSA-N 207.273 2.376 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)OCc1nc2ccccc2[nH]1 42369211 RJLWBZXNVWPMOW-BDAKNGLRSA-N 230.267 2.262 0 40 BEAB CC(C)COc1ccc(/C=C\C(N)=O)cc1 44263365 BWWIACHBRCTZKA-YVMONPNESA-N 219.284 2.220 0 40 BEAB CCOc1ccc(CCCO)cc1OC 44396283 PILFNXXOGJIUSL-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB CSCCc1ccc(CC(=O)O)cc1 44563577 RFKXJWFGBASOKX-UHFFFAOYSA-N 210.298 2.219 0 40 BEAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)O 44901395 HNWNGXGPYXXTTO-UHFFFAOYSA-N 234.230 2.151 0 40 BEAB C[C@@H]1COCCN1Cc1cccc(F)c1F 46775260 MVOVGZLYJTYBHQ-SECBINFHSA-N 227.254 2.186 0 40 BEAB O=C(NCc1ccsc1)NCc1ccccn1 47596244 QSTJCOFVMOIYSB-UHFFFAOYSA-N 247.323 2.143 0 40 BEAB Cc1ccccc1CS(=O)(=O)c1ccccn1 47620560 GSECMKVURIPFTP-UHFFFAOYSA-N 247.319 2.364 0 40 BEAB Cn1ccc(CSc2ccc(O)cc2)cc1=O 48601549 CFNOAYKZAWIFAZ-UHFFFAOYSA-N 247.319 2.383 0 40 BEAB CC[C@H](NC(C)=O)c1ccc2c(c1)OCCO2 48812737 SDVREEGDUBEYNN-NSHDSACASA-N 235.283 2.045 0 40 BEAB COC[C@@H](C)NCc1ccc(F)cc1C 50569035 PSCBPOAUNZFXNR-SNVBAGLBSA-N 211.280 2.259 0 40 BEAB CCC(C)(C)NC(=O)Cc1cccc(N)c1 52922163 SHYAFTTVLJNIFS-UHFFFAOYSA-N 220.316 2.116 0 40 BEAB CCNc1ncc(CNCCC(C)C)cn1 62717572 VRHVZRRKRXZLDC-UHFFFAOYSA-N 222.336 2.044 0 40 BEAB O=C(O)c1ccc(N2CCCCCC2=O)cc1 71278145 CEJWBVFMXHXQJM-UHFFFAOYSA-N 233.267 2.292 0 40 BEAB CC(C)Cc1nc(CS[C@H](C)CCO)no1 71922085 AMRXHCXEMQOYLT-SECBINFHSA-N 244.360 2.272 0 40 BEAB C[C@](O)(c1ccccc1N)C(F)(F)F 75846236 FKLQOZHJXLWQBQ-QMMMGPOBSA-N 205.179 2.039 0 40 BEAB NCCOC[C@@H]1CCCCN1Cc1ccccc1 79390681 CASWRKZWJGTYJM-HNNXBMFYSA-N 248.370 2.016 0 40 BEAB O[C@H](C[C@H]1CCCN1)c1ccc(F)cc1 82164145 UTJNCRYNTQHBFX-VXGBXAGGSA-N 209.264 2.001 0 40 BEAB in-vitro CCOc1ccc(-c2cn(C)nn2)cc1OCC 92084717 YLJVRQNKUKRLDP-UHFFFAOYSA-N 247.298 2.280 0 40 BEAB c1ccc(C2(CN3CCCNCC3)CC2)cc1 96523655 OPMUGZWJABPXOT-UHFFFAOYSA-N 230.355 2.014 0 40 BEAB Cc1occc1C(=O)OCc1cncs1 97050225 MRBRTQIGRGCDKQ-UHFFFAOYSA-N 223.253 2.402 0 40 BEAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NCC1CC1 102824455 OPAFUGLDNDUAPN-IJLUTSLNSA-N 207.317 2.339 0 40 BEAB O=C(OCCCF)OCC(F)(F)C(F)F 169795651 BDFJINYPDFTCMJ-UHFFFAOYSA-N 236.136 2.400 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@@H](CO)C1 195575820 YLGDVAQFCQCMOB-MJBXVCDLSA-N 223.360 2.293 0 40 BEAB Cc1cccc([C@H](CCO)CCN(C)C)c1 217801013 AUKGLQXQESVUAL-ZDUSSCGKSA-N 221.344 2.413 0 40 BEAB OCCCc1ccc(Cl)nc1Cl 220464694 YLWPBLDKVCUWBE-UHFFFAOYSA-N 206.072 2.313 0 40 BEAB CC[C@@H](C)n1ccc(CNCCOC)c1 223693186 SRWPSQOWMWRNNO-LLVKDONJSA-N 210.321 2.195 0 40 BEAB CCCC1=NN[C@@H]2CC(C)(C)CC(=O)[C@H]12 228929759 DCXXPROQGVEQJV-MWLCHTKSSA-N 208.305 2.120 0 40 BEAB COC(=O)c1cc(O)cc(Br)c1F 306553376 BGBJLZQNJLIAFM-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB O=C(c1c[nH]c2ccccc2c1=O)C1CC1 685937814 SYNIATBAXAMRHE-UHFFFAOYSA-N 213.236 2.121 0 40 BEAB CCn1ncnc1-c1ccc2c(c1)C[C@@H](C)O2 864534586 CYLXWJNNUHKTBQ-SECBINFHSA-N 229.283 2.288 0 40 BEAB CC(=O)Nc1ccc(-c2csnn2)cc1 106316 LTYUTWUXLFWPKX-UHFFFAOYSA-N 219.269 2.164 0 40 BEAB CC1CCN(C(=O)CN(C)c2ccccc2)CC1 46082608 HZKBCRWTVPZMKN-UHFFFAOYSA-N 246.354 2.381 0 40 BEAB c1ccc2c(Nc3cn[nH]c3)ncnc2c1 29588419 GSHKOLGPUZGHPO-UHFFFAOYSA-N 211.228 2.097 0 40 BEAB CCOC(=O)/C=C/c1ccc(N2CCCC2)nc1 29786673 SHNSYRIPSIMQJU-SOFGYWHQSA-N 246.310 2.258 0 40 BEAB Cc1cc(C)c2nc(C)c(C)[n+]([O-])c2c1 1656238 NOZSHBFIBYDCDS-UHFFFAOYSA-N 202.257 2.102 0 40 BEAB CCN(CC)C(=O)/C=C(/C)C(F)(F)F 3847602 LMOUYGLJWFMUGA-SREVYHEPSA-N 209.211 2.363 0 40 BEAB O=C(NCc1ccncc1)[C@H]1CC=CCC1 32998110 FQWXACGOQBEYKS-LBPRGKRZSA-N 216.284 2.054 0 40 BEAB CON(C)C(=O)c1cc2ccc(C)cc2nc1C 32947992 PYYPVBIXCUNULU-UHFFFAOYSA-N 244.294 2.485 0 40 BEAB COCC(=O)Nc1ccc(-c2nccs2)cc1 22260852 MKYLWZHDCSIBMI-UHFFFAOYSA-N 248.307 2.395 0 40 BEAB CC[C@H](C)n1cc(Br)c(C(=O)O)n1 20313818 FCLBILHRBPOCRF-YFKPBYRVSA-N 247.092 2.315 0 40 BEAB C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 100002002 IYOZTVGMEWJPKR-UTUOFQBUSA-N 247.342 2.174 0 40 BEAB in-vivo COC(C)(C)C[C@H](C)NCc1ccncc1 20524650 PGWDDGQXMRQCIS-NSHDSACASA-N 222.332 2.375 0 40 BEAB Cc1c(Cl)cccc1C[C@@H](C(=O)O)N(C)C 57533800 XFVDQEXLBLINRN-NSHDSACASA-N 241.718 2.206 0 40 BEAB COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@H]1C 25762020 XUUOEWPYCMSNCP-DGCLKSJQSA-N 247.338 2.318 0 40 BEAB CC(C)CC(=O)Nc1cc(N)ccc1F 21960763 SFZWVHLJZBEVME-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB CCc1ccc(C(=O)N2CCSCC2)s1 49208797 YUZHONARXUSBDV-UHFFFAOYSA-N 241.381 2.500 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccccc1 4019022 APOBYZSYMJNZIE-NIFPGPBJSA-N 241.290 2.222 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC1 6330460 ANMZJIXUPYVJMT-SCZZXKLOSA-N 212.362 2.192 0 40 BEAB Cc1ccc(N)c(OC[C@@H]2CCCO2)c1 14629704 UIGLNHKUZFXTLT-JTQLQIEISA-N 207.273 2.135 0 40 BEAB in-vitro O=C1C[C@@H](c2cccc(Br)c2)N1 82762342 UGKCNPSBLTUIHR-QMMMGPOBSA-N 226.073 2.010 0 40 BEAB CCc1nc(C(=O)O)c(Br)s1 71791688 WELZEGZIPWFQNE-UHFFFAOYSA-N 236.090 2.166 0 40 BEAB COC(=O)c1ccoc1CS[C@@H](C)[C@@H](C)O 79065033 UBRCEEUCLGYNAI-SFYZADRCSA-N 244.312 2.069 0 40 BEAB O=C(O[C@H]1CCOC1)c1ccccc1Cl 71883867 DVBQURLAOSRSND-QMMMGPOBSA-N 226.659 2.286 0 40 BEAB CCOCCN1C[C@H](O)C[C@@H]1C1CCCCC1 71907941 RNKSYNIRFYVVBW-ZIAGYGMSSA-N 241.375 2.038 0 40 BEAB CC(C)c1nsc(NC[C@@H]2CCCO2)n1 72295189 DPOQHJSFGNRVME-QMMMGPOBSA-N 227.333 2.252 0 40 BEAB CC[C@@H](NCc1noc(C)n1)c1nccs1 97373875 YCLZFKJUHDLKGH-MRVPVSSYSA-N 238.316 2.075 0 40 BEAB CCc1cc(Br)cc(C(=O)O)c1N 87972175 JHHRXLLPQQOJJW-UHFFFAOYSA-N 244.088 2.292 0 40 BEAB Cc1nnccc1NC(=O)NCC1(C)CCCC1 95942289 BQOMPXHCCGMYAJ-UHFFFAOYSA-N 248.330 2.487 0 40 BEAB OCc1ccc(-c2cccc(F)c2)nc1 35630059 ISRNPAKQMAALGU-UHFFFAOYSA-N 203.216 2.380 0 40 BEAB CCc1nsc(N2CCC[C@@H]3C[C@H]32)n1 521394190 WHUBWSQVFXDBJD-HTQZYQBOSA-N 209.318 2.089 0 40 BEAB C[C@@](CO)(c1ccccc1)N1CCCCC1 70453380 LKDMKORGKIBSQL-CQSZACIVSA-N 219.328 2.380 0 40 BEAB C[C@H](Oc1ccccc1)C(=O)Nc1cnoc1 75170837 ADGVNVKGHYNNTP-VIFPVBQESA-N 232.239 2.081 0 40 BEAB CCn1ccc([C@@H](C)NCCCOC)c1 78406191 GIOTVBWFONAQSR-LLVKDONJSA-N 210.321 2.195 0 40 BEAB OC[C@H]1C[C@]12CCOc1ccc(Cl)cc12 218685491 XTQUSGZZEOAIKF-PRHODGIISA-N 224.687 2.373 0 40 BEAB Clc1ccc([C@H]2CNCCO2)s1 35286458 RGQVPNCDNZFEMX-ZCFIWIBFSA-N 203.694 2.062 0 40 BEAB c1csc(CCN2CCN[C@H]3CCC[C@H]32)c1 218843073 QAUPJZQIGTZSKP-QWHCGFSZSA-N 236.384 2.117 0 40 BEAB N[C@@H]1C[C@H](C(F)(F)F)Cc2occc21 85399126 WTRHZUQGCLVJNE-CAHLUQPWSA-N 205.179 2.404 0 40 BEAB COCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)o1 89420347 VMXYLSCXWOIYOE-QWRGUYRKSA-N 249.310 2.298 0 40 BEAB CN1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 82335692 FZOPBHRKSYXATC-SNVBAGLBSA-N 236.290 2.106 0 40 BEAB CCOc1ccccc1C(=O)c1ccncc1N 199711521 VPJLHMVINFYWRA-UHFFFAOYSA-N 242.278 2.294 0 40 BEAB c1ccc2nc(N3CCSCC3)cnc2c1 48562044 CRITVOAHLVZVRB-UHFFFAOYSA-N 231.324 2.183 0 40 BEAB CCCOc1nn(C)c2cc(C=O)ccc12 225773563 XLMIHKAIUKRMRE-UHFFFAOYSA-N 218.256 2.175 0 40 BEAB Cc1nc(COc2ccccc2)ncc1C(=O)O 49468419 HHPUBKQBMRCXDN-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB CC(C)CSCCn1cc(F)ccc1=O 190733587 SGVNRDGSEHRGNV-UHFFFAOYSA-N 229.320 2.377 0 40 BEAB CS(=O)(=O)c1cc[nH]c1-c1ccccc1F 96532683 OKDLKZAPINVFBT-UHFFFAOYSA-N 239.271 2.224 0 40 BEAB Clc1cnc(Cl)c2nccnc12 95631037 VSGQXARDJBFVBL-UHFFFAOYSA-N 200.028 2.332 0 40 BEAB Nc1nc2c(ncn2C2CCCC2)c(=S)[nH]1 96902160 LZENWTZJIKRKMS-UHFFFAOYSA-N 235.316 2.186 0 40 BEAB COc1nn(C)cc1NCc1ccc(F)s1 256050999 HICHWWDVAWJOAD-UHFFFAOYSA-N 241.291 2.241 0 40 BEAB O=C(NCc1ccccc1)C(F)(Cl)Cl 3167892 ONRPFPGNDBYGEM-UHFFFAOYSA-N 236.073 2.404 0 40 BEAB CCc1ccccc1C(F)(F)C(=O)O 71610687 LCCHLAIBSRVXNU-UHFFFAOYSA-N 200.184 2.425 0 40 BEAB CCO[C@@H]1C[C@@H](NC(=O)C2CC2)C12CCCC2 89986044 CNPBHIFLTQFHAA-VXGBXAGGSA-N 237.343 2.250 0 40 BEAB Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](C)O)C2)c1 97108009 FLBRRUWTPZNXCW-CHWSQXEVSA-N 247.338 2.000 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]2C(=O)CC[C@H]21 202667223 IEBFVLGHXSDASG-NXEZZACHSA-N 239.315 2.365 0 40 BEAB FC(F)(F)Oc1cccc2nc[nH]c12 307015909 OFEVDLMRINHREC-UHFFFAOYSA-N 202.135 2.462 0 40 BEAB O=C(O)[C@@H](C[C@@H]1CCCCO1)C(F)(F)F 16159175 NNERFLUWPQXZJM-NKWVEPMBSA-N 226.194 2.209 0 40 BEAB C[C@H]1C(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 575447714 MNYIQAQSZOMQSX-TVQRCGJNSA-N 239.315 2.223 0 40 BEAB CS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1 16947450 JLBLMOQFRMMTAR-UHFFFAOYSA-N 247.319 2.339 0 40 BEAB O=C(O)C(=C/C=C/C=C\c1ccccc1)C(=O)O 17156637 BDMPHXNMJHDACV-FCLYREJYSA-N 244.246 2.352 0 40 BEAB Cn1cc(CN2CCC[C@H]2c2ccccn2)cn1 72187782 MWSODTMRJLYVLQ-AWEZNQCLSA-N 242.326 2.152 0 40 BEAB CN(C)C(=O)N1CCCc2ccccc21 5508865 RHJCXVSEEULEGT-UHFFFAOYSA-N 204.273 2.121 0 40 BEAB COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 113493729 BJSBIWRQYYNXTQ-DTWKUNHWSA-N 212.195 2.241 0 40 BEAB Cc1ccc(Br)c(NN)c1 133763835 NNLRVNYCKPTKEH-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB in-vitro CCCC(=O)N(Cc1ccncc1)C1CC1 50821844 WFQTZVKRBLDEEQ-UHFFFAOYSA-N 218.300 2.373 0 40 BEAB CCN(CC)CCNC(=O)CCc1ccccc1 33755681 SKPUBZZYQWWUGK-UHFFFAOYSA-N 248.370 2.077 0 40 BEAB NCc1ccnc2c(Br)cccc12 40571754 UHNPDRWLCGIKPD-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB N=c1nc2c(c[nH]1)CCc1cc(Cl)ccc1-2 1857793530 GTJJGUYZQKUKTM-UHFFFAOYSA-N 231.686 2.308 0 40 BEAB Cc1n[nH]c(C(=O)Nc2ccc(F)cc2)c1C 82324233 DMEBXBUHUOHJGN-UHFFFAOYSA-N 233.246 2.418 0 40 BEAB COc1ccccc1OCC(=O)N1CCCCC1 580912 VVYQNDNLWMEVHV-UHFFFAOYSA-N 249.310 2.087 0 40 BEAB Cc1ccc(C(=O)NCCCn2cccn2)s1 27928577 PVHHOGJSPCRJAZ-UHFFFAOYSA-N 249.339 2.073 0 40 BEAB C[C@@H]1[C@H](O)CCCN1Cc1ccccc1 107242039 ZFJGRVQFTNBLRP-DGCLKSJQSA-N 205.301 2.032 0 40 BEAB in-vitro Cc1ccc(-c2noc(Cn3ccnc3)n2)cc1 10809670 NRHIMBOHEMELGU-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB OCC1(c2ccc(Cl)cc2)CCOCC1 28286119 JPUBKECAEFEYEX-UHFFFAOYSA-N 226.703 2.381 0 40 BEAB Cc1c(C(=O)O)cccc1N1CCCC1 4245086 PCZCTLHGYGEROO-UHFFFAOYSA-N 205.257 2.293 0 40 BEAB in-vitro COc1ccc([C@@H](N)C(F)(F)F)cc1OC 19429507 JJNFDHBWILGMKH-SECBINFHSA-N 235.205 2.266 0 40 BEAB in-vitro CCOC(=O)CC(Cl)(Cl)Cl 113266986 IPLNQHSULWCCLX-UHFFFAOYSA-N 205.468 2.310 0 40 BEAB Cn1ccnc1Sc1ccccc1N 19845509 VQHURTPGQMKPMZ-UHFFFAOYSA-N 205.286 2.154 0 40 BEAB in-vitro CC[C@@H](NCC1OCCO1)c1cccs1 97110494 MTQCIPYNPKJRCN-SECBINFHSA-N 227.329 2.162 0 40 BEAB CCN1CCCc2c(C(=O)O)cccc21 37654537 FDKXBPNANDMUCI-UHFFFAOYSA-N 205.257 2.157 0 40 BEAB N[C@@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 218883467 JTSPYXFCIXDUNO-MNOVXSKESA-N 212.243 2.257 0 40 BEAB Cc1cnc(C(=O)N(C)[C@@H](C)c2ccco2)cn1 71867022 WYEAPGIPKGLAAJ-JTQLQIEISA-N 245.282 2.211 0 40 BEAB CCN(C)c1ncccc1[C@@H]1CCCN1C 72212761 AXRJDQCCIKNWOH-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB CCn1c(C(=O)O)cc2c(OC)cccc21 71976865 PMIHURYLYNSIOU-UHFFFAOYSA-N 219.240 2.368 0 40 BEAB CCS(=O)(=O)c1cc[nH]c1-c1ccccc1 79242387 VQDXSKJHSOLPCF-UHFFFAOYSA-N 235.308 2.475 0 40 BEAB COC(=O)[C@@H](c1ccccc1)N1CCCCC1 39348851 HWDNZLIVCGDZFU-CYBMUJFWSA-N 233.311 2.387 0 40 BEAB CCCCCN1CCN[C@H]2CCCC[C@H]21 218828033 VUAWENVOQGLHJL-QWHCGFSZSA-N 210.365 2.393 0 40 BEAB Fc1cccc(F)c1N1CCN[C@H]2CCC[C@H]21 218847764 JQRHECGNOBAGTD-NWDGAFQWSA-N 238.281 2.296 0 40 BEAB Nc1cc(COc2cccc(Cl)c2)no1 41244986 OGJOVWCQXFFJJQ-UHFFFAOYSA-N 224.647 2.489 0 40 BEAB Cc1cc(C)c2nccc(NCCN)c2c1 222676658 RWYXVKSIEYVBBZ-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB C[C@@H](CO)C(=O)c1ccc(Br)cc1 137238639 UTMGDHAXCSHOQZ-ZETCQYMHSA-N 243.100 2.260 0 40 BEAB CC(C)(C)[C@H](O)CCNC(=O)c1ccsc1 75157711 RRWMQKVXMPGCJC-SNVBAGLBSA-N 241.356 2.275 0 40 BEAB CCCn1cnc2cc(C(N)=O)c(Cl)cc21 225727743 DVEHSCIRMAQUSI-UHFFFAOYSA-N 237.690 2.199 0 40 BEAB CC(=O)N1CCS/C1=C/c1c(C)noc1C 225248913 JRHLACAOVKJDHP-IZZDOVSWSA-N 238.312 2.185 0 40 BEAB CCn1ccc(CNc2ccn(C(F)F)n2)n1 256055008 YTWFKVPJDVOSFS-UHFFFAOYSA-N 241.245 2.107 0 40 BEAB C[C@H](NN)c1cccc(C(F)(F)F)c1 19266559 MXSJLOZPVJQDOI-LURJTMIESA-N 204.195 2.230 0 40 BEAB Cc1cc2c(c(C)n1)C(=O)N(C(C)C)C2 5541662 MVUVMCFPCLCJKI-UHFFFAOYSA-N 204.273 2.063 0 40 BEAB Cc1cccc(C)c1NC1=NC(=O)CS1 12409033 FBQWEQNQNVYRKS-UHFFFAOYSA-N 220.297 2.345 0 40 BEAB Cc1ccccc1C(=O)N1CCCC[C@@H]1CCO 19681296 OFWWIBGSQZSIJG-CYBMUJFWSA-N 247.338 2.372 0 40 BEAB c1ccc(CNc2ccc3c(c2)OCCO3)nc1 19916328 FFMHQVPVFCQTOE-UHFFFAOYSA-N 242.278 2.465 0 40 BEAB CN1CCCC[C@H]1CCNC(=O)c1ccccc1 205672044 DTUZNDGIQVNSLL-AWEZNQCLSA-N 246.354 2.291 0 40 BEAB CN(C)c1ccc(C(=O)Nc2nccs2)cc1 3346941 RGXFQNTVZRGDNG-UHFFFAOYSA-N 247.323 2.461 0 40 BEAB in-vivo C[C@@H]1C[C@@H](O)CC(C)(C)[C@H]1C/C=C/C(=O)O 2332243371 MVHJGXZXOMOQBQ-QWFXSHHMSA-N 226.316 2.451 0 40 BEAB CCN[C@H]1CCN([C@H](C)c2ccccc2)C1 101192379 KYHJIZBPFBUCSV-OCCSQVGLSA-N 218.344 2.431 0 40 BEAB in-vitro CCc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 40489760 FHCRDRYCSHKKOK-UWVGGRQHSA-N 240.372 2.315 0 40 BEAB CC[C@H](C)C(=O)NCCc1ccsc1 40509494 OAFYNBJAMVEYGJ-VIFPVBQESA-N 211.330 2.453 0 40 BEAB Cc1ccccc1S(=O)(=O)NCCC(C)C 363921 XNMLWLYMYVEYLK-UHFFFAOYSA-N 241.356 2.319 0 40 BEAB O[C@H]1[C@@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1C2 492901 LGLZRUQGFUJOOH-KVSVUVNWSA-N 210.317 2.089 0 40 BEAB Cc1cc(OCC(=O)O)c(C)cc1Cl 1604550 FYSOXVMOZFIWIU-UHFFFAOYSA-N 214.648 2.420 0 40 BEAB CCCC[C@@H](CC)CNC(=O)C[C@@H](C)O 2019925 WTBQLHRVRKXSPX-GHMZBOCLSA-N 215.337 2.090 0 40 BEAB in-man CCOC(=O)CCCCC(=O)C1CCC1 2379035 GOYGJHGQVWXZDH-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB NC[C@H](O)c1ccc(Oc2ccccc2)cc1 2554005 UADSXSNKALEKAM-AWEZNQCLSA-N 229.279 2.471 0 40 BEAB in-vitro Cc1ccc([C@@H]2CCS(=O)(=O)C2)cc1C 3160842 AJFKZKGVRXXQSO-GFCCVEGCSA-N 224.325 2.206 0 40 BEAB COC(CN[C@H](C)c1c[nH]c2ccccc12)OC 3847519 YCVXYHZKRMVTII-SNVBAGLBSA-N 248.326 2.437 0 40 BEAB C[C@@H]1c2ccccc2C(=O)C[C@H]1C(=O)O 4416889 WRZNZBDUIVUZNV-GMSGAONNSA-N 204.225 2.077 0 40 BEAB CC1(C)C[C@@]23[C@H]4COC(=O)[C@H]2CC[C@@H]1[C@@H]3CC4=O 5430539 BBIDMUQZCCGABN-QMUJVDTISA-N 248.322 2.191 0 40 BEAB Cc1c(N)cccc1C(=O)N1CCC[C@@H](C)C1 8703645 SAAFPXCJLMKXFD-SNVBAGLBSA-N 232.327 2.449 0 40 BEAB Cc1cc(C)c2c(O)cc(S)nc2n1 9130841 ZSWZLBDCPITAEL-UHFFFAOYSA-N 206.270 2.241 0 40 BEAB CCOC(=O)CC(=O)Nc1cc(C)cc(C)c1 9784125 IGAFDRLVGWHOEM-UHFFFAOYSA-N 235.283 2.195 0 40 BEAB CCOC(=O)c1cc(C(F)(F)F)n(CC)n1 12395587 GUIPCTQMTPNQTR-UHFFFAOYSA-N 236.193 2.099 0 40 BEAB Oc1ccc(-c2noc(C(F)(F)F)n2)cc1 17156847 DHTGEEMLNWMWLC-UHFFFAOYSA-N 230.145 2.461 0 40 BEAB Cc1nn(-c2ccccc2)c(O)c1N=O 17783875 HMFQXONAPXQZGL-UHFFFAOYSA-N 203.201 2.284 0 40 BEAB C[C@@H]1CCCN(CC[C@@H]2CCCCN2)C1 20180474 TXMHJKJXMIMJLR-OLZOCXBDSA-N 210.365 2.251 0 40 BEAB CC(C)(C)NC(=O)Nc1ccccc1C(=O)O 20256520 MMKBQJLJFWOKMK-UHFFFAOYSA-N 236.271 2.305 0 40 BEAB CCn1ccc(NC(=O)C2CCCCC2)n1 27929951 CDUOVNMTRUGLAN-UHFFFAOYSA-N 221.304 2.422 0 40 BEAB O=C(Nc1ccccc1)N1CCSC1 28232189 BWGDBVMMHWFVRB-UHFFFAOYSA-N 208.286 2.225 0 40 BEAB Cc1ccc(-c2nsc(C(=O)O)c2N)cc1 33268117 GNESTTPDUMPMDW-UHFFFAOYSA-N 234.280 2.399 0 40 BEAB CC(C)c1cccc(O[C@H](C)C(N)=O)c1 33433076 DCMZTOQOSDMQKV-SECBINFHSA-N 207.273 2.063 0 40 BEAB Cc1nc(N)c(C(=O)O)cc1-c1ccccc1 34071657 RPRKMSULYFJAQX-UHFFFAOYSA-N 228.251 2.337 0 40 BEAB CCOC(=O)[C@@H](C)Nc1ccc(F)cc1 34080361 OGSKLRNKYVULDT-MRVPVSSYSA-N 211.236 2.189 0 40 BEAB NCc1ccc(C2(C(F)(F)F)N=N2)cc1 34569305 SBACTKCQVUFKLY-UHFFFAOYSA-N 215.178 2.326 0 40 BEAB in-vitro O=C(O)CCc1nc2cc(Cl)ccc2o1 34939286 FHAZYFVYEMKCCA-UHFFFAOYSA-N 225.631 2.498 0 40 BEAB CC[C@H](C(=O)OC)c1ccc(OC)cc1 36420720 BNODHOQXKOUMHA-NSHDSACASA-N 208.257 2.362 0 40 BEAB COc1cccc(C=O)c1OCC(F)F 37756026 YXDGOMZWDGICMQ-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB in-vitro CSCC[C@H](NCc1cccs1)C(=O)O 37966686 WRFOEJLGMPNNMX-VIFPVBQESA-N 245.369 2.044 0 40 BEAB COCC(=O)c1cccc(OC(C)C)c1 43504871 CHKZZWLSNZJBIN-UHFFFAOYSA-N 208.257 2.303 0 40 BEAB Cc1cc(NC(=O)[C@H]2C[C@H]2C)ccc1C(=O)O 44749789 XDNSSUFHGGPISC-KCJUWKMLSA-N 233.267 2.288 0 40 BEAB Cc1nc(N)cc(Nc2ccc(F)cc2)n1 49467266 IUNIEDDFKVRTLW-UHFFFAOYSA-N 218.235 2.250 0 40 BEAB CC(C)[C@@H](C)NC(=O)COc1ccccc1F 49535046 MCBGIXJNZSWGCE-SNVBAGLBSA-N 239.290 2.365 0 40 BEAB Cc1nccc(NC[C@@H](C)N2CCCCC2)n1 54935997 JVIIOCKHSAEFJE-LLVKDONJSA-N 234.347 2.071 0 40 BEAB C[C@@H]1CCCCN1Cc1cnc(N)s1 58082842 JTHSWUAZIVCTTC-MRVPVSSYSA-N 211.334 2.100 0 40 BEAB CC[C@@H](c1ccc(C(=O)O)o1)n1cccn1 62702084 JOSCVRKLDKBZOU-QMMMGPOBSA-N 220.228 2.174 0 40 BEAB c1ccc2c(NO[C@H]3CCCCO3)ncnc2c1 65517371 AWKHBBLAHKTKHZ-LBPRGKRZSA-N 245.282 2.500 0 40 BEAB COc1ncc([C@H]2CCCCN2C=O)cc1C 72217754 ZQNKHIFVEMQECX-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB C[C@@H](c1cccc(O)c1)N(C)Cc1cncn1C 72312090 RIMXANFWIVLGDY-NSHDSACASA-N 245.326 2.319 0 40 BEAB Cc1cc(NC(=O)[C@@H]2CCCN2)ccc1Cl 72328591 UBSCXHRCZMXSJJ-NSHDSACASA-N 238.718 2.339 0 40 BEAB Cc1cccc(CN(C(=O)[C@H](C)N)C(C)C)c1 79420580 KWJPLAJNEMOXGN-LBPRGKRZSA-N 234.343 2.079 0 40 BEAB C[C@@H](NCc1ccc(CO)o1)c1cccc(O)c1 81574813 MWRKCUBKKSAMRF-SNVBAGLBSA-N 247.294 2.328 0 40 BEAB CC(C)(C)c1nnc([C@@H]2CCCCN2)o1 83289375 FRMHPPFYNMGWHC-QMMMGPOBSA-N 209.293 2.182 0 40 BEAB CC(C)CSCc1ncc(C(=O)O)cn1 83497881 DLAVFNIXHULZII-UHFFFAOYSA-N 226.301 2.064 0 40 BEAB O=C(O)c1nc2ccccc2nc1C1CC1 84251978 MEJKYRSNQQDUER-UHFFFAOYSA-N 214.224 2.205 0 40 BEAB O=C(C[C@@H]1C=CCC1)NC[C@H]1CCCS1 89598146 KLRJGAWAKTXEJR-GHMZBOCLSA-N 225.357 2.355 0 40 BEAB c1cc2cc(OCCC3OCCO3)ccc2[nH]1 95944884 BLFWNABFRKFQOF-UHFFFAOYSA-N 233.267 2.310 0 40 BEAB COC(C)(C)C(=O)Nc1ncccc1Cl 95994021 LGIMFDJNRROKEV-UHFFFAOYSA-N 228.679 2.099 0 40 BEAB Cc1c(C(=O)OCc2ccsc2)cnn1C 96442691 LBTAEWUWTJVUQA-UHFFFAOYSA-N 236.296 2.147 0 40 BEAB CC(C)(C)N(C(=O)O)c1cscn1 97062545 ZGHHTQFXMKEEHR-UHFFFAOYSA-N 200.263 2.426 0 40 BEAB CCOC(=O)[C@H]1CS[C@H](C(CC)CC)N1 98072910 YZFDGJYGTWXSHY-NXEZZACHSA-N 231.361 2.017 0 40 BEAB O=C1NCCN1c1ccccc1C(F)(F)F 98096572 GVCXLZWVBPMXJN-UHFFFAOYSA-N 230.189 2.235 0 40 BEAB in-vitro OCc1cccc2c1OC(F)(F)C(F)(F)O2 98210834 DJOGUPLNTGOWHK-UHFFFAOYSA-N 238.136 2.136 0 40 BEAB CC1=C[C@H](c2ccccc2)n2ncnc2N1 100092089 KMMGBMZDAKTMQO-LLVKDONJSA-N 212.256 2.197 0 40 BEAB Fc1ccc2c(c1)NCC21CCOCC1 107253177 KFHJHHDVMNELFA-UHFFFAOYSA-N 207.248 2.299 0 40 BEAB CCCNC(=O)N[C@@H](C)c1ccc(OC)cc1 132203017 NQKWLBZHHURGJC-JTQLQIEISA-N 236.315 2.465 0 40 BEAB C[C@H]1C[C@H](C)CC[C@@H]1NC[C@@H](C)[S@@](C)=O 195560813 GWNOXSJHARWDTG-VNUHZKFNSA-N 231.405 2.168 0 40 BEAB Cc1c(CNC[C@H]2CCCO2)cnn1C(C)C 256050246 DHFSCNMCONJDPN-CYBMUJFWSA-N 237.347 2.041 0 40 BEAB Oc1cc(-c2ccc(Cl)cc2)nn2cnnc12 616567915 WSAIEMBPLLGQCV-UHFFFAOYSA-N 246.657 2.150 0 40 BEAB Cc1c2n(c3ccccc13)C[C@H]1CON(C)[C@@H]21 1630692 RCJBKGVIIPIVRD-IINYFYTJSA-N 228.295 2.498 0 40 BEAB C[C@@H]1CCO[C@@]2(CC(C)(C)OC2(C)C)O1 1677951 PJFSVWVGDLAMIZ-SKDRFNHKSA-N 214.305 2.486 0 40 BEAB O=S(=O)(O)Oc1ccc2ccccc2c1 1681590 HXEZIDSFDHEIIQ-UHFFFAOYSA-N 224.237 2.021 0 40 BEAB Cc1cnn(CCCNC[C@H]2C[C@H]3C=C[C@H]2C3)c1 101542717 HWZZJHUAQLDUDH-SOUVJXGZSA-N 245.370 2.383 0 40 BEAB COc1ccc(C(=O)N2CCCC2)c(F)c1 32736110 KPYOZYMUEXUUPC-UHFFFAOYSA-N 223.247 2.070 0 40 BEAB CC(=O)[C@]1(O)C[C@@H]2CCC3=C(CCC(=O)C3)[C@@H]2C1 4991457 NKGSERXUBLTSHZ-GLQYFDAESA-N 248.322 2.176 0 40 BEAB Cc1ccc(C(=O)N2CCO[C@@H](C)C2)c(C)c1 32865152 WWCGAYDRLCTDNR-LBPRGKRZSA-N 233.311 2.164 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 21958933 DIDOKOLOHVIZJC-GFCCVEGCSA-N 247.294 2.074 0 40 BEAB in-vitro Cn1cc(-c2cnc3ccc(N)cc3c2)cn1 33358946 DPRUSLSSTITICS-UHFFFAOYSA-N 224.267 2.218 0 40 BEAB in-vitro COCCN(C)Cc1cc(Cl)ccc1OC 53421080 PCNHKLCVBICFGB-UHFFFAOYSA-N 243.734 2.427 0 40 BEAB COc1ccc(F)cc1C(=O)Nc1ccccn1 23441048 FSLIPWFNVQXXDG-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB Cn1cc(NC(=O)c2cc3ccccc3[nH]2)cn1 25306508 GHPHMLPWOAZWMM-UHFFFAOYSA-N 240.266 2.154 0 40 BEAB NS(=O)(=O)c1ccc(Cl)c2ccccc12 1700243 YQXWHPSJAYLYED-UHFFFAOYSA-N 241.699 2.141 0 40 BEAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(N)=O 77538748 PVGVEMIKXIVFLG-WPRPVWTQSA-N 222.263 2.082 0 40 BEAB O=C(C1CC=CC1)N1CCO[C@@H]2CCCC[C@@H]21 77737540 GXSJENUXPIHDHD-QWHCGFSZSA-N 235.327 2.123 0 40 BEAB O=S(=O)(Oc1ccccc1)c1ccccc1 3207449 CGEXUOTXYSGBLV-UHFFFAOYSA-N 234.276 2.454 0 40 BEAB Fc1cccc(NCCc2n[nH]c(C3CC3)n2)c1 62719116 WIPNDMVBEHGAPB-UHFFFAOYSA-N 246.289 2.476 0 40 BEAB Nc1noc(-c2ccc(C(F)(F)F)cc2)n1 82539302 KWNPWZFHKFEIOO-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB in-vitro CC(C)(C)OC(=O)Nc1ccc(C(=O)O)o1 96675751 PFYDWHRLZSQWLB-UHFFFAOYSA-N 227.216 2.325 0 40 BEAB CC[C@H](C(=O)O[C@@H]1CCSC1)N(CC)CC 95943886 FNYOCSMXQZJFBE-GHMZBOCLSA-N 245.388 2.156 0 40 BEAB C[C@H]1C[C@@H](C)CN([C@H](C(N)=O)c2ccccc2)C1 34862993 FJKQDJPBSGECLK-SCRDCRAPSA-N 246.354 2.191 0 40 BEAB CCN1CCCC[C@H]1CNc1cc(C)ncn1 301222454 CJXPYKUOXADAQP-LBPRGKRZSA-N 234.347 2.071 0 40 BEAB Cn1nc(Br)c2c(Cl)ccnc21 211771068 HBZFHZRXHWZPEW-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB O=C(CCCCCO)Nc1ccc(F)cc1F 1540326052 VPKIIYVPPSLXJS-UHFFFAOYSA-N 243.253 2.456 0 40 BEAB c1ccc(CCN2CC[C@H](c3cc[nH]n3)C2)cc1 72381575 ZCWBNXPAYIFICZ-AWEZNQCLSA-N 241.338 2.442 0 40 BEAB COc1cc2c(=O)cc[nH]c2cc1Cl 32237733 GKXWJMCKPFXLSR-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB N[C@H]1CCC[C@H]1Nc1cc(F)ccc1F 218882677 XCPUZSHCBZMRPF-VHSXEESVSA-N 212.243 2.257 0 40 BEAB O=C1CCCc2n[nH]c(-c3cccc(O)c3)c21 71281459 IIWHFSQLFYFPOH-UHFFFAOYSA-N 228.251 2.301 0 40 BEAB CC(C)c1ccc([C@@H](CO)N(C)C)cc1 41216297 CABFXVCMCGNFKO-CYBMUJFWSA-N 207.317 2.405 0 40 BEAB COc1ccc(-c2c(C)n[nH]c2N)cc1F 41234564 OFPQZRFCIZAGKZ-UHFFFAOYSA-N 221.235 2.115 0 40 BEAB CN(Cc1ccc(F)cc1F)[C@@H]1CCC[C@H]1O 286561976 PBTUSIUBOUKAQY-CHWSQXEVSA-N 241.281 2.310 0 40 BEAB COc1ccc2c(c1)C[C@](O)(C(F)(F)F)CC2 133340331 IRFQCAVJHBGOIA-NSHDSACASA-N 246.228 2.477 0 40 BEAB CSC[C@H](C)C(=O)Nc1c(O)cccc1F 96436577 TWJNYKKFVUJFQH-ZETCQYMHSA-N 243.303 2.469 0 40 BEAB COc1ccc2c(Cl)[nH]c(=O)cc2c1 59202422 SAFXBUQQGYMWAJ-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB Cc1cc(C)c2c(N3CCNCC3)ccnc2c1 68136433 GUVGYINMIOMEIU-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB Cc1cc(CNC(=O)c2ccccc2C)no1 74791133 XLAACYCEGFOYGK-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB COc1ccc2cc(C(=N)N)ccc2c1 1442759 AFACJVQMKAPFID-UHFFFAOYSA-N 200.241 2.132 0 40 BEAB Cc1cnc(C)c([C@H](O)c2ccccc2)n1 1686589 ASBAEWOKLIZTGV-CYBMUJFWSA-N 214.268 2.175 0 40 BEAB C/C=C\C(=O)OCC(Cl)(Cl)Cl 165743906 ALVLSYVLAJUAME-IHWYPQMZSA-N 217.479 2.476 0 40 BEAB CN(c1ccc(C(C)(C)C)nn1)[C@H]1CCC[C@@H]1O 952962568 CSHWLUZMQDUWOR-QWRGUYRKSA-N 249.358 2.124 0 40 BEAB COCCNC(=S)Nc1cccc(C)c1C 7522756 QZJNOSKFLVYHLF-UHFFFAOYSA-N 238.356 2.236 0 40 BEAB CCOc1ccccc1C(=O)Nc1cn[nH]c1 35237574 AWYDSVFSYBUIGM-UHFFFAOYSA-N 231.255 2.061 0 40 BEAB CN(C)S(=O)(=O)c1ccc2sccc2c1 1772715099 ZKJWMFQLCLKDGM-UHFFFAOYSA-N 241.337 2.152 0 40 BEAB Cc1ccc(CNn2c(C)n[nH]c2=S)s1 17744301 VQGKKGWKGMLNCQ-UHFFFAOYSA-N 240.357 2.363 0 40 BEAB Nc1nc(Nc2ccccc2)nc2ncccc12 19819635 BJZZCKVBVWNZMH-UHFFFAOYSA-N 237.266 2.351 0 40 BEAB O=C1NCCC[C@@H]1Cc1ccc(Cl)cc1 97054263 QVDRQHFCYJKQPG-SNVBAGLBSA-N 223.703 2.409 0 40 BEAB in-vitro Cc1ccccc1C(=O)/N=c1\sccn1C 100269186 WBNLCFOVCGUFTD-SEYXRHQNSA-N 232.308 2.136 0 40 BEAB CCNCc1cc(-c2ccc(F)c(F)c2)n[nH]1 50479057 OATIWDYNKYPLJK-UHFFFAOYSA-N 237.253 2.464 0 40 BEAB CC(C)(C)N/C=C1\N=C(c2ccccc2)OC1=O 181268 NVPZVYZEFMRHQX-LUAWRHEFSA-N 244.294 2.220 0 40 BEAB CC(C)C[C@@]1(C)NC(=O)N(c2ccccc2)N1 99100 YSQJHBCVAOCZPY-ZDUSSCGKSA-N 233.315 2.483 0 40 BEAB CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 517139 AOVJSWHKUGNIDY-UHFFFAOYSA-N 217.224 2.060 0 40 BEAB biogenic CNC(=O)c1csc(-c2cccs2)n1 1385569 VFANSSLFXLATKG-UHFFFAOYSA-N 224.310 2.231 0 40 BEAB CC(=O)N[C@@H]1CCCC[C@@H]1C1CCC(N)CC1 1579181 OVPICLNSCJKJLW-NWINJMCUSA-N 238.375 2.199 0 40 BEAB CC(C)COC(=O)COc1ccccc1 1693695 YTQQLZPYNUPPNM-UHFFFAOYSA-N 208.257 2.265 0 40 BEAB CCC1(CC)C(=O)N=C(c2ccccc2)N1C 1751541 KNIJXPAVBOFXCO-UHFFFAOYSA-N 230.311 2.464 0 40 BEAB Cc1ccccc1C(=O)OC[C@@H]1CCCO1 2043315 KKOQOJGDHYPFCK-NSHDSACASA-N 220.268 2.331 0 40 BEAB O=C(NN1Cc2ccccc2C1)c1ccccc1 4851352 BNPUFOYNMQYLBD-UHFFFAOYSA-N 238.290 2.347 0 40 BEAB Cc1ccc(CNn2cn[nH]c2=S)s1 5969522 BNDVOTZTVZDKJN-UHFFFAOYSA-N 226.330 2.054 0 40 BEAB CC1=Cc2ccccc2[C@@H]1N[C@H](C)C(=O)O 8730581 MTKZXMLVZXNZJB-BXKDBHETSA-N 217.268 2.207 0 40 BEAB CC[C@H](C)NC(=O)c1cnc2ccccc2n1 12977662 VKWINXGHPRBKEP-VIFPVBQESA-N 229.283 2.158 0 40 BEAB CC1CCN(c2ccc(C(=O)O)cn2)CC1 19731747 YQPINMZQOZZKPY-UHFFFAOYSA-N 220.272 2.016 0 40 BEAB in-vitro CC(C)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19900077 ZUYPESQMYNAILG-QLFBSQMISA-N 234.387 2.225 0 40 BEAB C[C@@H](Cn1cccn1)NC(=O)Nc1ccccc1 27355698 BIGZCKUASAYEFZ-NSHDSACASA-N 244.298 2.093 0 40 BEAB COc1ccc([C@H]2CN[C@@H]3CCCC[C@@H]3N2)cc1 29786571 ULTNYLBOBQQJAL-QLFBSQMISA-N 246.354 2.240 0 40 BEAB CCOC(=O)c1nccn1Cc1ccccc1 32625178 IKHCKQVOPBTOEG-UHFFFAOYSA-N 230.267 2.108 0 40 BEAB in-vitro COc1ccc([C@H](O)c2ccccn2)cc1OC 34225482 FWZYZNLXCQEPRY-AWEZNQCLSA-N 245.278 2.181 0 40 BEAB Oc1nc(Br)nc2ccccc12 34604779 MCWPGULCKOYECT-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB CC(C)c1nc(-c2ccc(N)cc2)no1 35696779 QJFGBQIAMXHFHO-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB COC(=O)c1ccn(C(=O)OC(C)(C)C)c1 37593623 CTHZHSWSRBKAAA-UHFFFAOYSA-N 225.244 2.058 0 40 BEAB COc1c(C=O)c(C)nn1-c1ccccc1 40177224 GDDLXRKYLOKGRR-UHFFFAOYSA-N 216.240 2.002 0 40 BEAB COc1ccc2cccc(NC(C)=O)c2n1 49027913 RJSJRKKKYUHQFK-UHFFFAOYSA-N 216.240 2.202 0 40 BEAB CC1CCN(c2ncc(C(=O)O)s2)CC1 54909796 SLLWHUMPKXRVNI-UHFFFAOYSA-N 226.301 2.078 0 40 BEAB O=C(O)c1nc(Cl)c(Cl)c(O)c1Cl 65748948 FGHSIAVNLWSGBY-UHFFFAOYSA-N 242.445 2.446 0 40 BEAB in-vitro Cc1cccc2ncnc(N3CCO[C@@H](C)C3)c12 72307796 ZEGRFYBXQGLVCU-NSHDSACASA-N 243.310 2.163 0 40 BEAB c1cc([C@H]2CCCN2)nc(Nc2nccs2)n1 72376740 RLCXDZNOCWUVQK-MRVPVSSYSA-N 247.327 2.101 0 40 BEAB COCCN(C)[C@H]1CCCN(c2ccccc2)C1 81014747 IUFOBOFPMMFBMU-HNNXBMFYSA-N 248.370 2.234 0 40 BEAB CCn1c(C)cc(CNCCCOC)c1C 86592095 YWWJMBSGRQATIB-UHFFFAOYSA-N 224.348 2.251 0 40 BEAB CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 94901287 YUMINKNFIQJCTP-OAHLLOKOSA-N 232.371 2.418 0 40 BEAB O=C(N[C@H]1CCCc2cn[nH]c21)C1CCCCC1 95423939 WIRQWKYTLLTHIJ-LBPRGKRZSA-N 247.342 2.484 0 40 BEAB COCCN1CCC[C@H](COc2ccccc2)C1 96411347 FMWLKYMRWJDINL-AWEZNQCLSA-N 249.354 2.424 0 40 BEAB c1ccc(CN2[C@H]3CC[C@@H]2COC3)cc1 98181781 PQHMFUYFVMLYAQ-BETUJISGSA-N 203.285 2.050 0 40 BEAB CO[S@](=O)c1cccc(Br)c1 114902310 QNGDLQBWPLJQKQ-LLVKDONJSA-N 235.102 2.118 0 40 BEAB Cc1ccc([C@H](CCO)CCN(C)C)cc1 217800273 LXVFMXIBNVLYLF-AWEZNQCLSA-N 221.344 2.413 0 40 BEAB CCCN(c1ccccc1OC)[C@@H](C)C(=O)O 224997031 LGVWVEWHSPDPSQ-JTQLQIEISA-N 237.299 2.385 0 40 BEAB c1ccc2c(c1)CCN(c1nncs1)C2 267906374 DFYFWCBZAVHJHQ-UHFFFAOYSA-N 217.297 2.101 0 40 BEAB Cc1cccc(NC(=O)C2CC(F)(F)C2)n1 334496305 ROLJRWSSYHNSMP-UHFFFAOYSA-N 226.226 2.374 0 40 BEAB N#Cc1cnccc1Oc1ccccc1CO 399521629 QUCUWGNFSCRKHJ-UHFFFAOYSA-N 226.235 2.238 0 40 BEAB Clc1ncc(-c2ncccn2)c(Cl)n1 585090201 KTDZGZMIEPPLBP-UHFFFAOYSA-N 227.054 2.240 0 40 BEAB COc1cccc(NC(=O)N2C3CCC2CC3)n1 667334261 JCLFGUFSAJDFMO-UHFFFAOYSA-N 247.298 2.249 0 40 BEAB CCc1csc(NCCc2cc[nH]n2)n1 714566552 IWGUASXUGJJSTJ-UHFFFAOYSA-N 222.317 2.083 0 40 BEAB CC[C@@H](C)CN1CCCCCNC(=O)CC1 934155402 IVLDCXBIWAJOAM-GFCCVEGCSA-N 226.364 2.025 0 40 BEAB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCO 953119856 VAYGHFNJQFTZJD-MNOVXSKESA-N 243.347 2.262 0 40 BEAB c1cnc([C@@H]2CCCN2CC2CCOCC2)cn1 1202590756 JYYWZICLHXMAHP-AWEZNQCLSA-N 247.342 2.040 0 40 BEAB CCCn1cc(N)c(NC(=O)OC(C)(C)C)n1 1548918877 LTMYJHKRDSMXKH-UHFFFAOYSA-N 240.307 2.222 0 40 BEAB CC1(C)CCc2nc3[nH]nc(N)c3cc2C1 337244 WTUQNMRPDLAHLA-UHFFFAOYSA-N 216.288 2.055 0 40 BEAB Cc1ccc2nc(C)c3c(c2c1)O[C@H](CO)C3 519432 JYADFPJSAPOQJR-JTQLQIEISA-N 229.279 2.147 0 40 BEAB biogenic C[C@@H]1C(=O)CCN(Cc2ccco2)[C@H]1C 1076028 JTDIADXWGUFCRY-UWVGGRQHSA-N 207.273 2.079 0 40 BEAB C[C@@H]1CC[C@]2(O)C(=O)CC[C@@H]3[C@H]([C@H]12)C3(C)C 4104703 BEQYXBYLUJTQJC-KFQOHEKBSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro Cc1ccc2[nH]c(C(=O)N(C)C)cc2c1 4702656 WSEZBKFULHDQOM-UHFFFAOYSA-N 202.257 2.178 0 40 BEAB CCO[P@](=O)(O)Cc1ccccc1 5861683 WSOJYRTVHMMFST-UHFFFAOYSA-N 200.174 2.409 0 40 BEAB Cc1cc(NC(=O)OCC(F)(F)F)no1 7786508 UVBWNZYCADZTSK-UHFFFAOYSA-N 224.138 2.094 0 40 BEAB in-vitro CC(C)Cc1cnc(CC(C)C)c(=O)[nH]1 8627899 UYYRKEKHAYEACU-UHFFFAOYSA-N 208.305 2.167 0 40 BEAB biogenic CC(=O)c1c(F)cccc1-n1cccn1 12505633 UYIKTGLFDZSSID-UHFFFAOYSA-N 204.204 2.214 0 40 BEAB in-vitro COc1ccc2cc3c(nc2c1)N(C(C)=O)CC3 15842101 QJQWDPFQJIQLQX-UHFFFAOYSA-N 242.278 2.152 0 40 BEAB CCNC(=O)[C@H](C)Sc1ccc(OC)cc1 20039820 RARMGMGBAHXHJP-VIFPVBQESA-N 239.340 2.312 0 40 BEAB CN(CCC(=O)O)c1ccc(Cl)cc1 20133763 ZVITXXMFZPWSLI-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB O[C@]12CCCC[C@H]1[C@@H](c1ccncc1)NCC2 22018127 PJUBTLCOZIRUIS-MJBXVCDLSA-N 232.327 2.037 0 40 BEAB Cc1cc(C(=O)O)c2c(C(C)C)noc2n1 22213329 QXEGEYHKNDAFAW-UHFFFAOYSA-N 220.228 2.353 0 40 BEAB in-vitro CCOC(=O)c1cc2c(OC)c(OC)ccc2[nH]1 35233280 CZJQBZNLVGKZRX-UHFFFAOYSA-N 249.266 2.362 0 40 BEAB Cc1ccc(C)c(CN2CCC[C@@H](O)C2)c1 38539873 AUMYBFXUKLHVBL-CQSZACIVSA-N 219.328 2.260 0 40 BEAB CCOC(=O)c1cc2c(O)cccc2[nH]1 39439763 ZJZAFABAVBYFQO-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB in-vitro O[C@H](CNc1nccnc1Cl)c1ccccc1 43537718 CEDOTNJBEQQIIO-SNVBAGLBSA-N 249.701 2.276 0 40 BEAB OCCCc1ccc(C(F)(F)F)nc1 44396001 ZAICEESMMSEGGT-UHFFFAOYSA-N 205.179 2.025 0 40 BEAB CCN(CC)C(=O)COC(=O)c1ccc(C)cc1 57487344 FQMBXNNRDBQMNW-UHFFFAOYSA-N 249.310 2.020 0 40 BEAB CSc1nc(C(=O)O)cc(C(C)C)n1 62701897 WGWMKSQGBMVJHX-UHFFFAOYSA-N 212.274 2.020 0 40 BEAB Cc1cnn(CCNCc2ccccc2F)c1 69893869 STFSWLABLMEKMB-UHFFFAOYSA-N 233.290 2.120 0 40 BEAB Cc1cc(-c2cc(N)nc3[nH]ccc23)cnc1N 72164482 KNUSVNZFDKVRKR-UHFFFAOYSA-N 239.282 2.098 0 40 BEAB Clc1cccc(CNC[C@@H]2CCCNC2)c1 72202842 LXZUYDDWGZWIRD-GFCCVEGCSA-N 238.762 2.429 0 40 BEAB CCOC(=O)C[C@@H](NC)c1ccc(C)cc1 72210277 GXTNBUZNTJFFKS-GFCCVEGCSA-N 221.300 2.209 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213771 GWMXLURQXMPFOB-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB Cc1cc(CN)cnc1NCc1ccccc1 72222325 LLOGXAQZYWMWTL-UHFFFAOYSA-N 227.311 2.461 0 40 BEAB O=C(O)CCc1cccn1-c1ccccc1 75625204 PQVLUGBBJNKXFO-UHFFFAOYSA-N 215.252 2.495 0 40 BEAB COc1cc(N)ccc1-n1cc(C)nc1C 82656268 WOBBWXNJJRBEEV-UHFFFAOYSA-N 217.272 2.080 0 40 BEAB O=C1CCC(C(=O)O)(c2ccccc2F)CC1 84533728 ZSHLDJCZQFHYBA-UHFFFAOYSA-N 236.242 2.291 0 40 BEAB N=C(N)c1ccc(F)cc1C(F)(F)F 89064951 YSKLZEKCBLUTAK-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB in-vitro Cc1nnc(-c2ccc(Br)cn2)o1 90549671 HYRVBOIHTWDVTQ-UHFFFAOYSA-N 240.060 2.203 0 40 BEAB Cc1n[nH]cc1CN(C)CCOc1ccccc1 95430311 YBTMUVOGLJRKFC-UHFFFAOYSA-N 245.326 2.229 0 40 BEAB Fc1nc2[nH]ccc2cc1Br 95920059 QDVFZSYKDIQJSD-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB in-vitro Cc1cc(S[C@@H]2CCO[C@@H]2C)ncn1 96484036 OUSLERQSKDTGFE-RKDXNWHRSA-N 210.302 2.055 0 40 BEAB C[C@H]1NC(=O)c2cc(Br)ccc21 139869593 JVCAVLWZRHPLJI-RXMQYKEDSA-N 226.073 2.254 0 40 BEAB Cc1cccc2nc(S)n(C3CC3)c(=O)c12 166581098 UWJPQJWZEGXWQC-UHFFFAOYSA-N 232.308 2.329 0 40 BEAB O=C(O)c1[nH]nc(C2CCC2)c1Br 216587832 XVKCWEYYGXDHMP-UHFFFAOYSA-N 245.076 2.138 0 40 BEAB O=C(O)c1cc(=O)[nH]c2c(Cl)ccc(F)c12 218689540 KLHJYWWBLHLVIT-UHFFFAOYSA-N 241.605 2.019 0 40 BEAB CC(C)CCNC(=S)Nc1ccncc1 225178657 LEXMROIXOAEHPS-UHFFFAOYSA-N 223.345 2.414 0 40 BEAB C[C@@H]1C[C@H]2[C@@H](CO)C[C@H](C(F)(F)F)C[C@H]2O1 225761325 ABUHJJZZXMNMQT-FHNUBNKASA-N 238.249 2.361 0 40 BEAB CC(C)Cn1cc(CNCc2cccn2C)cn1 256054135 VBGSMGMSVFYPKS-UHFFFAOYSA-N 246.358 2.167 0 40 BEAB Cc1nc(C)c(CN2CCCC[C@@H]2CO)s1 336627455 VSRRHHMAYHGKKK-LLVKDONJSA-N 240.372 2.107 0 40 BEAB Cc1c(-c2ccc3c(c2)COC3)cnn1C 649444314 NLUBJTGOEYLQJD-UHFFFAOYSA-N 214.268 2.426 0 40 BEAB COC(=O)c1cc(-c2ccsc2)no1 266347 YPEBTOSSMPTRRH-UHFFFAOYSA-N 209.226 2.190 0 40 BEAB CCOc1ccc(-c2cnc(N)n2C)cc1 873796 LBIXWRSZNOJKDR-UHFFFAOYSA-N 217.272 2.068 0 40 BEAB COc1cc(CCCO)cc2ccoc12 40835715 PVSYYGYNHFDMLQ-UHFFFAOYSA-N 206.241 2.366 0 40 BEAB biogenic,in-vitro CCOc1ccccc1-n1c(C)cc(C)nc1=O 383241 NCHCALSDSRZTKG-UHFFFAOYSA-N 244.294 2.248 0 40 BEAB Cc1cc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)[nH]n1 100228109 DTWHVABTAVGVOX-UTUOFQBUSA-N 247.342 2.161 0 40 BEAB Cc1cccc(NC(=O)CC(=O)C(F)(F)F)c1 100645484 HUZIAPIMSQSLQT-UHFFFAOYSA-N 245.200 2.455 0 40 BEAB CCn1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 28575835 VKBKDFUTXUHBSD-GHMZBOCLSA-N 249.358 2.330 0 40 BEAB O=C1CCN1c1ccc(C(F)(F)F)cc1 34552498 RNKYIHDUAJOFDX-UHFFFAOYSA-N 215.174 2.442 0 40 BEAB CN1C[C@@H](C2CCNCC2)c2ccccc21 107253308 WDFATNYQZFBRIH-ZDUSSCGKSA-N 216.328 2.220 0 40 BEAB CC(C)[C@@H](C)NC(=O)NCc1ccco1 48455326 XZVWPFRLCFSOIQ-SECBINFHSA-N 210.277 2.123 0 40 BEAB Cc1ccc(C(=O)N2CCO[C@@H](C)C2)cc1C 12976609 KRCMZCBXJYFAHQ-LBPRGKRZSA-N 233.311 2.164 0 40 BEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC1 12924798 ROPLIBBCPBECJL-VIFPVBQESA-N 239.702 2.340 0 40 BEAB C[C@H](N)[C@@H](c1ccccc1)N1CCCC1 38338634 CNACIQJCVBJSFL-AAEUAGOBSA-N 204.317 2.171 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](O)CCC[C@@H]21 38526310 MRMYRYLVMIZVQM-DCAQKATOSA-N 241.331 2.157 0 40 BEAB O=Cc1n[nH]c2cc(C(F)(F)F)ccc12 14985715 KWWVGVOHIZTSLE-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB CC(C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 67209471 CBXDPKOKEXEVSD-ZDUSSCGKSA-N 246.354 2.162 0 40 BEAB CN1CCC[C@H](CNCc2cccs2)C1 16124131 KIDUZWFJBRQQDB-LLVKDONJSA-N 224.373 2.180 0 40 BEAB in-vitro CCCCNc1cccc(C)c1C(N)=O 96453961 WNKJRUCYGMSDJP-UHFFFAOYSA-N 206.289 2.306 0 40 BEAB Cc1cnn(CCOc2ccc(F)cc2)c1 78805524 IQTACHHODDLLIW-UHFFFAOYSA-N 220.247 2.410 0 40 BEAB Cc1cc(Br)nnc1Cl 84312334 YNLBNEKHIODSNR-UHFFFAOYSA-N 207.458 2.201 0 40 BEAB CCC[C@@H](C)N(C)C(=O)/C=C/c1cnccn1 84740156 RYIXLLPPKHSUDY-XUIVZRPNSA-N 233.315 2.137 0 40 BEAB CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 95403740 PLIQDWNLSXRBFY-CYBMUJFWSA-N 246.354 2.129 0 40 BEAB CC(C)Nc1ccc(F)cc1OCCO 88525683 JMDPFOTZURNPJY-UHFFFAOYSA-N 213.252 2.017 0 40 BEAB c1ccc([C@@H]2CN(c3ccncc3)CCO2)nc1 72356932 MOHTYCXISXHIHB-AWEZNQCLSA-N 241.294 2.055 0 40 BEAB COc1ncc(Cl)c(C(=O)O)c1Cl 32911400 QYPMTXWJTBYSHO-UHFFFAOYSA-N 222.027 2.095 0 40 BEAB c1cc(CN2CCC[C@H]2c2cnccn2)ccn1 72357072 HCGBSLBEEZWPGV-AWEZNQCLSA-N 240.310 2.209 0 40 BEAB CN1C[C@@H](CO)[C@H](c2cccc3ccccc23)C1 217672064 ZNNSSQQNZDAPMD-XJKSGUPXSA-N 241.334 2.477 0 40 BEAB Cc1cc(Br)ncc1[C@@H](C)O 72222952 JHDDOEDOHBCUDX-ZCFIWIBFSA-N 216.078 2.206 0 40 BEAB NNCCOc1ccc(-c2ccccc2)cc1 44831580 OUQLJASAJBHQNB-UHFFFAOYSA-N 228.295 2.196 0 40 BEAB COCC(=O)c1cccc(OC(F)F)c1 229180590 WWKRCKICIDBZGT-UHFFFAOYSA-N 216.183 2.117 0 40 BEAB COC(=O)c1cnn(-c2ccccc2F)c1C 40489167 XDLUTUUUITVUPO-UHFFFAOYSA-N 234.230 2.106 0 40 BEAB CCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 41421354 JXAZHVIHWHSOHA-WCQYABFASA-N 233.311 2.385 0 40 BEAB CC(C)[C@H](N)c1nc2cccnc2n1C1CC1 88872452 BOSFLTKAFYEEFU-NSHDSACASA-N 230.315 2.422 0 40 BEAB C[C@@H](NN)c1ccc(C(F)(F)F)c(F)c1 199536487 ZPSZLWBRNDDDFW-RXMQYKEDSA-N 222.185 2.369 0 40 BEAB CCOC(=N)c1cc(Br)ccc1N 228916473 GJXHHOSQSPJNOZ-UHFFFAOYSA-N 243.104 2.393 0 40 BEAB OC1(Cc2cccc(F)c2F)CCOCC1 83504130 LQLYQQKTOGAUGJ-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB C[C@@H](N)CN1CC=C(c2ccccc2)CC1 96523885 FILVYYGZXTXEBE-GFCCVEGCSA-N 216.328 2.123 0 40 BEAB CCOC(=O)NC[C@@H](OC)c1ccsc1 96097360 BQTUIXISRGZEAL-SECBINFHSA-N 229.301 2.182 0 40 BEAB Fc1cnc2nc(Cl)nc(Cl)c2c1 95629783 UTXNBSZGIUHQOL-UHFFFAOYSA-N 218.018 2.471 0 40 BEAB CC(C)c1cc(CNCc2ccco2)n(C)n1 256052864 OZEAXJZRPPKMQJ-UHFFFAOYSA-N 233.315 2.426 0 40 BEAB COC(=O)CCc1cnc2c(N)c(C)ccc2c1 256051502 JKGRNZWODMSXNM-UHFFFAOYSA-N 244.294 2.231 0 40 BEAB c1cc([C@@H]2COCCN2CC2CCCCC2)[nH]n1 257280234 OKAMUASYRVWGPE-AWEZNQCLSA-N 249.358 2.363 0 40 BEAB CC[C@]1(C)NC(=O)N(c2csc(C)c2)C1=O 630538402 KROLOGZQELTQFG-NSHDSACASA-N 238.312 2.281 0 40 BEAB Cc1cc(NC[C@H](O)c2ccccc2)nc(C)n1 37498684 DMDUUBOPKIZBND-ZDUSSCGKSA-N 243.310 2.239 0 40 BEAB O=C(NCCc1ccoc1)NCc1ccccc1 90607451 BTOIIJRLXLBWAF-UHFFFAOYSA-N 244.294 2.322 0 40 BEAB COC(=O)[C@H](c1ccccc1)n1cccc1 1710960 NEFFWSGGTRVHFF-LBPRGKRZSA-N 215.252 2.251 0 40 BEAB C[C@H]1[C@H]2CCN(C)[C@@H]1Cc1ccc(O)cc12 5766170 SVPZRQDNNLAJMW-MRCXROJRSA-N 217.312 2.372 0 40 BEAB CNC(=O)c1cccc(NC(=O)CC(C)C)c1 15480080 LXWMIGCUFZRMLX-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB CCCc1nc2cc(C(=O)O)ccc2[nH]1 19772715 ABDQINQUEGFMES-UHFFFAOYSA-N 204.229 2.214 0 40 BEAB Cn1c2c(sc1=N)CCc1ccccc1-2 19894557 CQZVROUEOZGNLH-UHFFFAOYSA-N 216.309 2.332 0 40 BEAB CCOCCCNC(=O)c1ccc(F)cc1F 28210724 WAGHVNYSHKDDKB-UHFFFAOYSA-N 243.253 2.121 0 40 BEAB O=C(CCc1cccs1)NCc1cccnc1 28200488 SZHMINFBYMASAA-UHFFFAOYSA-N 246.335 2.392 0 40 BEAB O=C(N[C@H]1C[C@@H]1F)OCc1ccccc1 238546437 XKIFNDSUUQVBIM-UWVGGRQHSA-N 209.220 2.023 0 40 BEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CO 40556056 ZEAJEQJYNLTHNX-LBPRGKRZSA-N 238.327 2.025 0 40 BEAB CCCC(=O)c1ccc(NC(C)=O)cc1O 105283 RSBIKRQPSYDRFZ-UHFFFAOYSA-N 221.256 2.333 0 40 BEAB in-vitro C[C@H]1CCCc2sc3ncnc(NN)c3c21 510482 MVMJMLMQRVFYHB-LURJTMIESA-N 234.328 2.417 0 40 BEAB Cc1cc(=O)oc2cc3c(cc12)CCCN3 525942 PZTQNUMZYIQRGY-UHFFFAOYSA-N 215.252 2.460 0 40 BEAB biogenic CCN1CCC[C@H]1CNC1=NCCCCC1 4166935 KRZAPXOIWFZRHV-LBPRGKRZSA-N 223.364 2.033 0 40 BEAB COc1ccc(CC(=S)N(C)C)cc1 5957362 OHDHFDYXYQEOQI-UHFFFAOYSA-N 209.314 2.127 0 40 BEAB CCNC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 9378288 KFQMABFPJXFADR-MRVPVSSYSA-N 249.339 2.180 0 40 BEAB Cc1cccc(/C=C/C(=O)NC2=NCCS2)c1 9954533 LZWRFWCOMJSHTN-AATRIKPKSA-N 246.335 2.227 0 40 BEAB CC(C)c1nn2c(-c3cccnc3)nnc2s1 12409373 ZGKXONWZTHACRC-UHFFFAOYSA-N 245.311 2.371 0 40 BEAB CC(C)C1N2[C@H](C(C)C)N[C@@H](C(C)C)N12 19170365 UBQIKKGERZTSPJ-IQYJPVSDSA-N 211.353 2.069 0 40 BEAB NC(=S)c1ccc(OCC2CC2)cc1 19870841 NQWNKYLOLYWJGU-UHFFFAOYSA-N 207.298 2.110 0 40 BEAB in-vitro CC(C)CNCCCN1CCCC[C@@H]1C 19912956 ASPYMTATKKHQCA-ZDUSSCGKSA-N 212.381 2.497 0 40 BEAB CC1(C)Cc2cccc(OCCC(=O)O)c2O1 21968601 JODWXVNYYIVABX-UHFFFAOYSA-N 236.267 2.254 0 40 BEAB Cc1ccc(C(=O)/N=c2\sccn2C)cc1 23653803 OIVRBHXTHOOTBY-SEYXRHQNSA-N 232.308 2.136 0 40 BEAB C[C@@H]1CCCN(CCC2CCNCC2)C1 26513921 QVOYSWKQIXCAOQ-GFCCVEGCSA-N 210.365 2.108 0 40 BEAB CC(C)(C)C1=NO[C@@H]([P@](C)(=O)O)C1 33901762 GXUPUFYVANJJEN-ZETCQYMHSA-N 205.194 2.035 0 40 BEAB COc1cccc([C@@H](O)c2ccccn2)c1 35090272 LWOFVEXVTAOGLJ-CYBMUJFWSA-N 215.252 2.172 0 40 BEAB CCOc1cccc(C(=O)CCC(=O)O)c1 36179784 RJEGUURNUVEJDH-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB CCN(Cc1cccc(C)c1)C(=O)[C@@H](N)C(C)C 37808637 MYQSCLWCHYPRSW-AWEZNQCLSA-N 248.370 2.327 0 40 BEAB C[C@H](Cc1ccc(F)c(F)c1)C(=O)O 38842974 UBWKSHCOWRUZGP-ZCFIWIBFSA-N 200.184 2.228 0 40 BEAB O=C1Cc2cccnc2N1Cc1ccccc1 40442637 NQRONXBAZCQBDS-UHFFFAOYSA-N 224.263 2.171 0 40 BEAB in-vitro c1ccc(OCCOCC[C@@H]2CCCNC2)cc1 42771577 GKVCAFWXJDIXHU-AWEZNQCLSA-N 249.354 2.472 0 40 BEAB COc1cccc([C@@H](O)CN(C)[C@H](C)C2CC2)c1 44133342 ZHXXABMMPPDLDB-ABAIWWIYSA-N 249.354 2.459 0 40 BEAB CCCCCCNCCC(=O)OCC 44288524 YHFLDPKUDZNORT-UHFFFAOYSA-N 201.310 2.110 0 40 BEAB O=C(Nc1cn[nH]c1)N[C@H]1CCc2ccccc21 45305327 OQZKENAZHAOYMF-LBPRGKRZSA-N 242.282 2.219 0 40 BEAB Fc1ccccc1OCCN1CCSCC1 47986862 UXKXERGSXGOHFE-UHFFFAOYSA-N 241.331 2.253 0 40 BEAB CC[C@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O 48400489 QXRXWILZKJCKDB-NWDGAFQWSA-N 247.294 2.071 0 40 BEAB Cc1ccc(C)c(CN(C)CCC(=O)O)c1 49257341 GTYVEKMUEQDOSY-UHFFFAOYSA-N 221.300 2.210 0 40 BEAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(O)cc1 49548704 XDBWFEXDSGMXPY-JTQLQIEISA-N 243.266 2.249 0 40 BEAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCO1 49940465 HSGMJJFPEWFTBR-MFKMUULPSA-N 249.310 2.051 0 40 BEAB CCc1cc(NC)nc(-c2ccncc2)n1 50850882 FLYKHRISGRQAEL-UHFFFAOYSA-N 214.272 2.143 0 40 BEAB CONC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 53720887 UXQZWUSTBKOIGL-PSASIEDQSA-N 223.272 2.013 0 40 BEAB NCc1nc2cc(C(F)(F)F)ccc2[nH]1 62152752 GBCHBEUIOXYVEW-UHFFFAOYSA-N 215.178 2.040 0 40 BEAB OC(=C\C1=NCCN1)/C=C/c1ccccc1F 62716133 FITHEWOQVNEEDD-BTHQEHEQSA-N 232.258 2.283 0 40 BEAB CCNC(=O)c1oc2c(OC)cccc2c1C 69416579 ILVPJTDOIOBRIH-UHFFFAOYSA-N 233.267 2.500 0 40 BEAB CN(C)[C@H](CO)c1cccc(C(F)(F)F)c1 70453050 GKYFBEWQEJXFCM-SNVBAGLBSA-N 233.233 2.300 0 40 BEAB CCn1cc(NC(=O)c2occc2C)cn1 71185609 LHIIOLOMCTVMMT-UHFFFAOYSA-N 219.244 2.057 0 40 BEAB CC[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208945 ITYCDWJGFHHPIF-ZJUUUORDSA-N 230.352 2.273 0 40 BEAB Cc1nc(S)ccc1[C@H]1CCCCN1 72218393 IFRIRUFZJQLFDR-SNVBAGLBSA-N 208.330 2.493 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1N3)O2 72398204 HYWWUAGPPPYSGD-WKPIXPDZSA-N 243.306 2.223 0 40 BEAB O=C(O)Cc1coc2c(F)ccc(F)c12 75882443 OGSHTVWJUBMQEK-UHFFFAOYSA-N 212.151 2.338 0 40 BEAB O=C([C@H]1CCCN1)N1CCC[C@]2(CC=CCC2)C1 76091290 RNEASRJLUAQTHY-UKRRQHHQSA-N 248.370 2.087 0 40 BEAB O=C(O)c1ccc(Br)cc1S 82164232 ZHNJGPZUGQGIGC-UHFFFAOYSA-N 233.086 2.436 0 40 BEAB in-vitro Cc1cc(C)c2cc(OCC(=O)O)ccc2n1 82787053 GIIKUXBERPBAEC-UHFFFAOYSA-N 231.251 2.315 0 40 BEAB Cc1ccc([C@H]2NC(=O)c3cccnc3N2)s1 89656489 KYXMCJMXGQLMJW-LLVKDONJSA-N 245.307 2.306 0 40 BEAB COc1ccc([C@@H](N[C@H](C)CO)C(C)C)cc1 91306121 XFWDLSGTTUOEHB-RISCZKNCSA-N 237.343 2.363 0 40 BEAB NCc1cnc(Cl)c(C(F)(F)F)c1 95763853 YHPFQGOGRQGILK-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB COc1ccc(-c2cnc(C)nc2)cc1 95829832 UADCLWIVJAVQAK-UHFFFAOYSA-N 200.241 2.461 0 40 BEAB CC(C)n1cnc2c(Cl)nc(F)nc21 96034777 AISKFDFVSSENFX-UHFFFAOYSA-N 214.631 2.200 0 40 BEAB Cc1ccc(C[C@@H](C)NC(=O)NC2CC2)s1 96415124 NHFTXLAYEQKUJF-MRVPVSSYSA-N 238.356 2.449 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1ccc(F)cc1F 96490725 RYXRORKABVYDHH-PSASIEDQSA-N 229.270 2.386 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CNCCn1ccnc1 97098509 HYQGDGLMTBINIF-KGLIPLIRSA-N 233.359 2.465 0 40 BEAB C[C@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228304 IZNCWHSGTREGNN-WUHRBBMRSA-N 209.333 2.092 0 40 BEAB C[C@@H](CN)Cc1c[nH]c2ccc(F)cc12 97442063 NLRRJAHVVQTEBE-MRVPVSSYSA-N 206.264 2.444 0 40 BEAB O=C(O)c1nccn1Cc1ccc(Cl)cc1 98214040 MBCZWUOWSQEHNA-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB Cc1csc(C2=C(O)CN(C3CC3)C2=N)n1 102732569 FFMYFPUUKIZAHF-UHFFFAOYSA-N 235.312 2.176 0 40 BEAB CC(C)COc1ccc(/C=C/C(N)=O)cc1 216883321 BWWIACHBRCTZKA-VMPITWQZSA-N 219.284 2.220 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2CO)C1 217352151 RDIDHDVKSYRPDN-GXFFZTMASA-N 241.331 2.016 0 40 BEAB CCc1ccc(C=O)n1-c1ccncc1 225302342 SAAOUKCUDUBXHR-UHFFFAOYSA-N 200.241 2.247 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](CN)[C@@H]12 242687531 ULMGXBABGMHAEG-JDDHQFAOSA-N 237.265 2.185 0 40 BEAB FC(F)n1ccc(CNCc2ccco2)n1 256050952 HDWLUYQAIFGTSW-UHFFFAOYSA-N 227.214 2.161 0 40 BEAB Cc1c[nH]c([C@@H]2CCCN(C3CCOCC3)C2)n1 257207740 BJAJGLCQKUNPEY-GFCCVEGCSA-N 249.358 2.077 0 40 BEAB O=C1OCOc2c(F)ccc(Br)c21 258834192 OOKYRRPVZLWABI-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB CC1=N/C(=C/c2cn(C)c3ccccc23)C(=O)O1 408817882 MJCGCSMDZIKNIU-KPKJPENVSA-N 240.262 2.494 0 40 BEAB CC(=O)Oc1ccc(C(=O)NC(C)(C)C)cc1 49681 RJIOUFWJNQYAGZ-UHFFFAOYSA-N 235.283 2.140 0 40 BEAB CCCn1cnc2sc(CC)cc2c1=O 148808 BHUSXYKIYMTFCT-UHFFFAOYSA-N 222.313 2.430 0 40 BEAB CN(c1ccccc1)c1ncnc2c1ncn2C 1562379 DADJZEXRDAIUAM-UHFFFAOYSA-N 239.282 2.131 0 40 BEAB N[C@@](Cc1ccccc1)(C(=O)O)c1ccccc1 1666487 YMCRTUKBQGPJNL-OAHLLOKOSA-N 241.290 2.168 0 40 BEAB COC(=O)[C@H]1O[C@]1(C)c1ccc(Cl)cc1 1696002 WOLWRWLLWNBPRS-MWLCHTKSSA-N 226.659 2.127 0 40 BEAB c1ccc([C@@H](NC2=NCCO2)C2CC2)cc1 2008734 RSESMLXPRYZMST-GFCCVEGCSA-N 216.284 2.114 0 40 BEAB NC(=S)Nc1cccc2c1CCCC2 4013652 SISDQWCAZUMWHN-UHFFFAOYSA-N 206.314 2.221 0 40 BEAB in-vitro O=c1[nH]c2cccnc2n1-c1ccc(Cl)cc1 5338213 KLHPWBJQCGZDKR-UHFFFAOYSA-N 245.669 2.367 0 40 BEAB CCCN[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6787947 AYWSWASKUCRDBI-JTQLQIEISA-N 248.326 2.216 0 40 BEAB NC(=O)COc1ccc2oc3ccccc3c2c1 7647068 MAXGAAIMDUDERV-UHFFFAOYSA-N 241.246 2.450 0 40 BEAB Cc1ccc(Nc2ncc(C(=O)O)cn2)cc1 8702930 ZCPGBJSDUUCVOL-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB CC(C)c1ccccc1NC(=O)CCN 8732994 QOZYBXIAPCNQMN-UHFFFAOYSA-N 206.289 2.097 0 40 BEAB Nc1ccc(OC[C@H]2CCCO2)c(Cl)c1 9245899 BXBUDXWNITUWFO-SECBINFHSA-N 227.691 2.480 0 40 BEAB Nc1ccccc1C(=O)NCc1ccccc1F 9330628 MGYMWNJVFTVKSD-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB O=c1cc(C(F)F)c2c(C3CC3)noc2[nH]1 12398517 XEQGOMYILYGVAG-UHFFFAOYSA-N 226.182 2.331 0 40 BEAB Brc1cccc(-c2cn[nH]n2)c1 13671894 BKJXSQXZIOTRTP-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB CC1=[N+]([O-])C(C)(C)[N+]([O-])=C1c1ccc(C)cc1 19324329 KBRGXJKXOFPNJO-UHFFFAOYSA-N 232.283 2.015 0 40 BEAB C[C@@H]1CN(c2ccccc2C=O)C[C@@H](C)O1 20078941 JSCXWWYPBOWKLA-GHMZBOCLSA-N 219.284 2.113 0 40 BEAB in-vitro Nc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1 20157145 QYJNPCULYBHFIU-SNVBAGLBSA-N 240.690 2.040 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@@H](C)O)c(OC)c1 20392309 CULABQLGBWDNOG-JFUSQASVSA-N 222.284 2.188 0 40 BEAB Cc1ccccc1-c1noc([C@H]2CCCN2)n1 22147659 YEBOZYURVAOQNG-LLVKDONJSA-N 229.283 2.470 0 40 BEAB CN(C(=O)NC[C@@H]1CCCO1)c1ccccc1 28051422 MGYAMBFRFIYESS-LBPRGKRZSA-N 234.299 2.011 0 40 BEAB COC(=O)c1cc(C(C)C)nc(Cl)n1 32013004 UKXJPHZORCUYSH-UHFFFAOYSA-N 214.652 2.040 0 40 BEAB c1cn(Cc2ccc(-c3cn[nH]c3)cc2)cn1 32533056 ITCQESGIOUXJBZ-UHFFFAOYSA-N 224.267 2.322 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)C[C@@H](C)C1 32903799 UFTXJUZJSOMUAQ-AOOOYVTPSA-N 249.358 2.155 0 40 BEAB O[C@@H](CSc1ccccc1)Cn1ccnc1 34124201 PMRJXVVXMMMRSL-LLVKDONJSA-N 234.324 2.036 0 40 BEAB COc1ccc([C@@H]2CCC(=O)O2)cc1OC 34189678 WUTCRAWYHFZCPK-VIFPVBQESA-N 222.240 2.082 0 40 BEAB Cc1ccc(OC[C@@H]2CCNC2)c(C)c1 38580778 KYRBHXMFTHPSNV-GFCCVEGCSA-N 205.301 2.292 0 40 BEAB C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)C1CC1 39527614 LZWVPAOYWQMHDQ-ZWNOBZJWSA-N 245.322 2.152 0 40 BEAB Cc1ccc(CC(=O)Nc2nccs2)cn1 40554556 JJSFVTGERFIUPT-UHFFFAOYSA-N 233.296 2.028 0 40 BEAB CC(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 41194522 LVCWKYWVXUOHQZ-RYUDHWBXSA-N 225.332 2.203 0 40 BEAB CCN(CC)c1cccc(O[C@H]2CCNC2)c1 42775611 WBFMSHGHMANPPU-AWEZNQCLSA-N 234.343 2.274 0 40 BEAB COc1ccc([C@@H](O)[C@H](C)n2cccn2)cc1 44182793 GDISAVSZXXPIDU-GWCFXTLKSA-N 232.283 2.186 0 40 BEAB in-vitro Cc1cc(-n2ccnc2C)ccc1C=O 50575436 JRQHAZDYFCEHMS-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB Nc1n[nH]c2c1cnc1ccc(Cl)cc12 53994946 RXBUOOREQRTOJY-UHFFFAOYSA-N 218.647 2.347 0 40 BEAB Cc1c(C(=O)N(C)[C@@H](C)C(C)(C)C)cnn1C 58291331 ITKSHSBHQURTBY-JTQLQIEISA-N 237.347 2.235 0 40 BEAB CCC(=O)N[C@@H]1CCCOc2ccccc21 58343379 FMYOLBFSOWFBGY-LLVKDONJSA-N 219.284 2.427 0 40 BEAB CCOc1ccc(C(=O)O)c(Cl)c1 61848480 TVVYWGVVTSRIDM-UHFFFAOYSA-N 200.621 2.437 0 40 BEAB in-vitro Cc1ccc(C)c(CN2CCCC[C@@H]2C(N)=O)c1 65548609 VAIUPBVYGMNZLQ-CQSZACIVSA-N 246.354 2.143 0 40 BEAB Cc1nnc2ccc(NC[C@H]3CC=CCC3)nn12 68692806 ADYWHHVBNCSJHD-NSHDSACASA-N 243.314 2.201 0 40 BEAB CN(C)[C@](C)(CO)c1ccccc1Cl 70453424 FQFJAUZIIRJXNS-LLVKDONJSA-N 213.708 2.109 0 40 BEAB COc1ncccc1[C@H]1CCCCN1C 72211733 XVTVWKGBYRLWLE-LLVKDONJSA-N 206.289 2.247 0 40 BEAB CCN1CCC(Cc2cccnc2)CC1 72361098 HDJVRBKQKQFZRQ-UHFFFAOYSA-N 204.317 2.356 0 40 BEAB c1ccc(CN2CC[C@]3(CCCCN3)C2)cc1 82346684 UCKQWPTZJAOXHJ-OAHLLOKOSA-N 230.355 2.405 0 40 BEAB CCOC(=O)COc1ccccc1SC 82503970 LJFOVAOIUSTKAF-UHFFFAOYSA-N 226.297 2.350 0 40 BEAB CCN(C)C(=O)NC[C@H](C)c1ccccc1 84760753 HIKYUUBRPSUYLS-NSHDSACASA-N 220.316 2.451 0 40 BEAB O=C(O)c1ccc(C(=O)c2ccc(F)cc2)o1 85394377 WHOOBYGBGQMCDH-UHFFFAOYSA-N 234.182 2.348 0 40 BEAB CC(C)COc1c(C(=O)O)cnn1CC(C)C 95096624 SGMBOQHGZZPWMZ-UHFFFAOYSA-N 240.303 2.272 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1O 95348154 FXVLUNMZSAJYNE-ZJUUUORDSA-N 229.320 2.205 0 40 BEAB CC(C)(C)N(CCC1CCCC1)CC(N)=O 95416570 UWHDUWMJRCOIRR-UHFFFAOYSA-N 226.364 2.153 0 40 BEAB COC(=O)c1cc(O)c2cc(N(C)C)ccc2c1 95635503 NGYJVUQZTJCWLD-UHFFFAOYSA-N 245.278 2.398 0 40 BEAB COc1ccc(F)cc1[C@@H](O)c1cccn1C 95727795 AGLJMPSWNXEVFH-CYBMUJFWSA-N 235.258 2.255 0 40 BEAB NC1(c2ccc(C(F)(F)F)cc2)CCNCC1 96029462 WKMLGDUQNZNVOU-UHFFFAOYSA-N 244.260 2.243 0 40 BEAB CC[C@@](CNC(=O)OC)(OC)c1ccccc1 96123676 ZMIQNLCVRNTZHP-ZDUSSCGKSA-N 237.299 2.294 0 40 BEAB CC(C)(C)C(=O)NCCOCc1ccccc1 96446350 JYLREIBRPZGLIH-UHFFFAOYSA-N 235.327 2.366 0 40 BEAB O=C(Cc1cccs1)NC[C@@H]1CCCS1 96462157 LJFBBGQFVQLRAQ-JTQLQIEISA-N 241.381 2.302 0 40 BEAB COC(=O)c1cc(OCC2CC2)cs1 96511052 RGQLQJLJAIALEM-UHFFFAOYSA-N 212.270 2.324 0 40 BEAB CCS(=O)(=O)[C@H](C)C(=O)c1cccc(C)c1 96518020 KFNJCOYZXPIZQH-SNVBAGLBSA-N 240.324 2.001 0 40 BEAB C[C@@H]1COCC[C@H]1NC(=O)OCc1ccccc1 206783660 LPCZQVCPPSYMRX-DGCLKSJQSA-N 249.310 2.338 0 40 BEAB Cn1c(-c2cc(N)[nH]n2)cc2ccccc21 225970710 UZUMBLNLHZUXRR-UHFFFAOYSA-N 212.256 2.151 0 40 BEAB CC(C)CNCc1cc(C(C)C)nn1C 256053858 TXVHGHIANZWSRK-UHFFFAOYSA-N 209.337 2.289 0 40 BEAB CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@@H]2CCC[C@@H]12 257304481 SLWRZQXQYOLBBP-IGQOVBAYSA-N 239.359 2.495 0 40 BEAB Fc1cnc(Cl)nc1Br 306917127 YPZWYHNOTNPZEQ-UHFFFAOYSA-N 211.421 2.032 0 40 BEAB CC(C)c1cnc(N2CC[C@@](C)(O)C2)s1 336448754 FCYPMPDEDSQWBN-LLVKDONJSA-N 226.345 2.228 0 40 BEAB CC(C)(C)N1CC(Oc2ncccc2F)C1 585654377 QXZUTVRTYQMHGQ-UHFFFAOYSA-N 224.279 2.082 0 40 BEAB Cc1c(-c2cccc(C[C@@H](C)N)c2)cnn1C 629730810 WSXDRWJGQJZJSN-SNVBAGLBSA-N 229.327 2.285 0 40 BEAB CCc1[nH]c2cc(O)ccc2c(=O)c1C 685938312 GTJDOXJLDKVXIS-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB c1csc(N2CCOC[C@H]2CC2CC2)n1 896636866 IBEKPGYOIKVOFJ-SNVBAGLBSA-N 224.329 2.148 0 40 BEAB COc1ccc2[nH]c3c(N(C)C)ncnc3c2c1 117475 MALMEVUZLXCESV-UHFFFAOYSA-N 242.282 2.186 0 40 BEAB CCOC(=O)[C@@H](N)CCC1CCCCC1 336569 PSCLUEJVKGLUSF-NSHDSACASA-N 213.321 2.237 0 40 BEAB CC(C)Sc1ccc(CC(N)=O)cc1 347752 XGYJIDQPTJASEZ-UHFFFAOYSA-N 209.314 2.215 0 40 BEAB C[C@@H]1CC[C@@H](n2cnc3c(=S)[nH]cnc32)O1 1694522 NJBZWOFTQWSFOI-RQJHMYQMSA-N 236.300 2.186 0 40 BEAB Cc1cc(NC(=O)c2ccc(F)cc2)n(C)n1 4106928 IVACADLKIKAHNF-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CN1c2ccccc2C(C)(C)[C@@]12CCC(=O)N2 5261042 MVWAGLSSCWHMGC-CQSZACIVSA-N 230.311 2.020 0 40 BEAB O=c1[nH]c(Br)cc2ccccc12 5491540 UDRWDZCFFOTHRU-UHFFFAOYSA-N 224.057 2.291 0 40 BEAB COc1ccc(-c2nc(OC)c(C)c(=O)o2)cc1 5792462 ZWXJIPDIKCKJSG-UHFFFAOYSA-N 247.250 2.027 0 40 BEAB C[C@@H](O)CNc1ncnc2c1oc1ccccc12 10021245 JURQUWNGFMYGIO-MRVPVSSYSA-N 243.266 2.169 0 40 BEAB Cc1cc(CNC(=O)c2ccncc2)ccc1F 11008157 QEYLXMHOSCOKKA-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB Cc1ccc(C(=O)[C@H]2CCCN2)cc1C 11630650 XJSJGDSMDXGGTN-GFCCVEGCSA-N 203.285 2.238 0 40 BEAB Cc1cc(C)nc(Nc2cccc(N)c2)n1 11731210 WACOECJORYLSIF-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB CC(C)CCCCCOS(=O)(=O)O 14591952 VOXCUZGLPPXOHV-UHFFFAOYSA-N 210.295 2.022 0 40 BEAB Fc1ccc(CO[C@@H]2CCCNC2)cc1 14631597 HHIHAEIWKSVRHP-GFCCVEGCSA-N 209.264 2.094 0 40 BEAB CC(C)[C@H]1C(=O)NN(c2ccccc2)C1=S 18037272 USDORNPMKKIIDP-JTQLQIEISA-N 234.324 2.137 0 40 BEAB FC(F)(F)c1cccnc1NC1CCNCC1 19471080 NAFJOVIHDQHZAP-UHFFFAOYSA-N 245.248 2.264 0 40 BEAB COC(=O)COc1c(C)cc(C)cc1C 20297736 CGCAXIKCGJZCEF-UHFFFAOYSA-N 208.257 2.164 0 40 BEAB Cc1cnc(NC(=O)/C=C/c2cccnc2)s1 29839152 AFJOGJDIHIRWSQ-SNAWJCMRSA-N 245.307 2.498 0 40 BEAB CC[C@H](C)N(CCN)Cc1cccs1 32012713 VVHRJYAVEIGZKV-JTQLQIEISA-N 212.362 2.307 0 40 BEAB O=C(CCCc1ccccc1)Nc1ncccn1 32581149 FBHJQRLDKJOKBU-UHFFFAOYSA-N 241.294 2.438 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N(C)[C@H](C)C1CC1 32907094 CJVHBYDXCYAVFA-SECBINFHSA-N 249.310 2.127 0 40 BEAB Cc1ccc2ccccc2c1S(=O)(=O)O 33506623 WODGMMJHSAKKNF-UHFFFAOYSA-N 222.265 2.395 0 40 BEAB CC(C)(C)C1CCC2(CC1)CC(=O)NC2=O 36929017 TXQKTTIWPOKGQB-UHFFFAOYSA-N 223.316 2.256 0 40 BEAB in-vitro O=C(O)[C@@]1(Cc2ccco2)C[C@@H]2C=C[C@H]1C2 38339277 UXWRUXNPZXHIIV-GBIKHYSHSA-N 218.252 2.489 0 40 BEAB c1ccc(-c2cnc(CN3CCOCC3)o2)cc1 40460351 VCJKQPMOINUKJZ-UHFFFAOYSA-N 244.294 2.174 0 40 BEAB CC(C)CO[C@H](C)C(=O)NCc1ccccc1 42468928 NXJDLKYOZAJIRX-GFCCVEGCSA-N 235.327 2.364 0 40 BEAB CCn1cc(NC(=O)C[C@H]2C=CCC2)ccc1=O 47181527 LPXDESHSFRVYSL-NSHDSACASA-N 246.310 2.163 0 40 BEAB O=C(CCc1ccccc1)N1CCSCC1 49209018 GKBJESBNIGGWRV-UHFFFAOYSA-N 235.352 2.195 0 40 BEAB c1ccc(-n2nnnc2OC2CCCCC2)cc1 59461403 GHVRYDQNIRZRHR-UHFFFAOYSA-N 244.298 2.374 0 40 BEAB CC(C)CNCc1ccc2nccnc2c1 61415090 YKNHLQCQIZLKOD-UHFFFAOYSA-N 215.300 2.375 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 71840234 WHVCWCZMWYWXEO-BNOWGMLFSA-N 245.322 2.243 0 40 BEAB Brc1ccc(C2=NCCC2)cn1 72211538 AUIHRPXXYNHXKE-UHFFFAOYSA-N 225.089 2.427 0 40 BEAB Cc1ccc(N)c(Br)c1F 75926061 KJLAQXZTWPBRCD-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB C[C@@H](CNC(=O)NC1CC1)Cc1cccs1 76066647 KZEOFHBRYRVIKH-SECBINFHSA-N 238.356 2.388 0 40 BEAB CCN1CCN(Cc2cccc(S)c2)CC1 95738736 FZWMTFPQWQDREL-UHFFFAOYSA-N 236.384 2.113 0 40 BEAB CCc1cnc(COC(=O)c2ccncc2)s1 96009822 JYRXCXFNLXVAJF-UHFFFAOYSA-N 248.307 2.458 0 40 BEAB O=C(O)C1CCN(c2nccc3ccoc23)CC1 96517475 UKZXGUIOWPZETL-UHFFFAOYSA-N 246.266 2.129 0 40 BEAB Cc1cc([C@H](C)NCc2noc(C)n2)c(C)o1 97112002 UKTVIDDEVGQTMZ-QMMMGPOBSA-N 235.287 2.439 0 40 BEAB Cc1cc(Br)cc(N)c1C(=O)O 98179550 FFCBTRXFKXWSQQ-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CC(=O)O)C2 100730309 HGHBHQVHVZOHIY-RVBZMBCESA-N 240.299 2.219 0 40 BEAB c1ccc(CN2CC[C@H]3CNCC[C@H]3C2)cc1 101750521 HMEQPPDSBRYYKW-GJZGRUSLSA-N 230.355 2.118 0 40 BEAB in-vitro Cc1cc(NC(=O)C2[C@H]3CCCC[C@H]23)nnc1C 102689886 NEEHWQZUBGIHSR-QWRGUYRKSA-N 245.326 2.468 0 40 BEAB COC(=O)c1cc2c(F)cncc2s1 114336775 OZDBWDIHKQTRGE-UHFFFAOYSA-N 211.217 2.222 0 40 BEAB CN(C)CC[C@H](CCO)c1ccccc1 217799601 FMPPBHOTCAXSPO-CYBMUJFWSA-N 207.317 2.104 0 40 BEAB COc1ccc(CN[C@@H]2CCCC[C@@H]2N)cc1 218855178 KQAPSBRQIROFNT-UONOGXRCSA-N 234.343 2.055 0 40 BEAB Cc1ccccc1N1CCN[C@@H]2CCC[C@@H]21 225716302 IOMBDNVJKDTDRM-OCCSQVGLSA-N 216.328 2.326 0 40 BEAB NCc1cc2cccc(F)c2nc1Cl 258056826 KIFLHKYFPWTWCK-UHFFFAOYSA-N 210.639 2.486 0 40 BEAB COCC(=O)N[C@@H](C)Cc1cc2ccccc2o1 390826048 ALWZLKQVTDNSDA-JTQLQIEISA-N 247.294 2.126 0 40 BEAB Cn1c(OC[C@H]2CCCO2)nc2ccccc21 585651426 MDSWFLWXINZIRF-SNVBAGLBSA-N 232.283 2.131 0 40 BEAB Cc1nc2ccccc2n1-c1ncncc1F 1775967542 VTYRAVATCUZRAZ-UHFFFAOYSA-N 228.230 2.263 0 40 BEAB Cn1nc(-c2ccccc2)c(Cl)cc1=O 163708 JLEPXRQIVMKNTH-UHFFFAOYSA-N 220.659 2.101 0 40 BEAB O=C1CCCN1C(=O)c1ccc(Cl)cc1 236928 HTMAAEZYWDDRFE-UHFFFAOYSA-N 223.659 2.103 0 40 BEAB O=C(NN1CCCCCC1)c1ccccc1F 383852 HCEUPXHUECCPBR-UHFFFAOYSA-N 236.290 2.347 0 40 BEAB CC[C@H](C)NC(=O)c1cccc(OC)c1OC 496427 IGPIGTFEMKOINB-VIFPVBQESA-N 237.299 2.232 0 40 BEAB C/C=C/C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 1491590 UTZAFVPPWUIPBH-RDNKVPPGSA-N 245.278 2.153 0 40 BEAB CCN(CC)CCOCCn1c(C)ccc1C 1581196 NBEJIEWYTIJTGQ-UHFFFAOYSA-N 238.375 2.463 0 40 BEAB Cc1csc2nc(-c3ccco3)nn12 1586681 ZTMBDQCHNNZQIB-UHFFFAOYSA-N 205.242 2.359 0 40 BEAB O=C(NOCc1cscn1)Nc1ccccc1 1705928 MDKDGBLEKGDTDY-UHFFFAOYSA-N 249.295 2.396 0 40 BEAB O=C(O)c1ccc(C2CCC(O)CC2)cc1 1748008 OUJCPOLTQOHOFM-UHFFFAOYSA-N 220.268 2.403 0 40 BEAB Cc1ccc(CNCCCn2ccnc2)cc1 2510444 MFYSUMVTHDCUFZ-UHFFFAOYSA-N 229.327 2.371 0 40 BEAB C1=C(c2ccc3cn[nH]c3c2)CCOC1 2526917 WWEHRQSPKGIGLU-UHFFFAOYSA-N 200.241 2.367 0 40 BEAB Cc1c(Cl)c(C(=O)N2CCCCC2)nn1C 2767512 FDECEUMAWVTSKB-UHFFFAOYSA-N 241.722 2.008 0 40 BEAB CSc1cccc(-c2nnc(NC(C)=O)o2)c1 4585584 WZXMJHQTZUYMFP-UHFFFAOYSA-N 249.295 2.417 0 40 BEAB c1cc(CSc2ncnc3nc[nH]c23)ccn1 4769950 RRVUXHSNKGVUPF-UHFFFAOYSA-N 243.295 2.040 0 40 BEAB in-vitro O=C(Nc1ccccc1Cl)[C@@H]1CCCO1 5771521 UNNZPGJQMWZMHC-JTQLQIEISA-N 225.675 2.458 0 40 BEAB C[C@H]1Cc2cc(CNC[C@H]3CCCO3)ccc2O1 6679759 BVJLJADGPBUSCS-SMDDNHRTSA-N 247.338 2.279 0 40 BEAB O=C(O)[C@@H]1CCCN1CC1CCCCC1 8699068 XRYRJXQJSTWFDB-NSHDSACASA-N 211.305 2.116 0 40 BEAB in-vitro CCCCSc1ncc(C(=O)O)cn1 8730882 ULKGZXLWKOWELR-UHFFFAOYSA-N 212.274 2.067 0 40 BEAB CCC[C@H](Oc1ccccc1OC)C(=O)O 15418132 RGWZFMBSXFRQRM-NSHDSACASA-N 224.256 2.327 0 40 BEAB Nc1ccc(Sc2nncs2)cc1 19845679 XQYYWSFSSCBHGH-UHFFFAOYSA-N 209.299 2.272 0 40 BEAB in-vitro Cc1ccc(-c2noc([C@@H](C)N)n2)cc1F 21808524 LHEXBYBMDYIUJD-SSDOTTSWSA-N 221.235 2.204 0 40 BEAB in-vitro CCc1nc(Cl)nn1-c1ccc(OC)cc1 22125865 OGYRRAPSRYXQNW-UHFFFAOYSA-N 237.690 2.492 0 40 BEAB CCN1CCC(Nc2ccc3[nH]ncc3c2)CC1 23549794 IYGVSWBNVYRXOK-UHFFFAOYSA-N 244.342 2.459 0 40 BEAB O=C(NC1CCCCC1)c1ccc2[nH]nnc2c1 24153851 FIIADICRXKUIHC-UHFFFAOYSA-N 244.298 2.020 0 40 BEAB CCOC(=O)C(F)(F)[C@@H](O)c1ccc(F)cc1 40539644 RDPNAVYCIBHZJK-VIFPVBQESA-N 248.200 2.058 0 40 BEAB Cc1ccccc1[C@@H]([C@@H](C)N)n1cccn1 43037653 KYEWWOWOXMVEHG-DGCLKSJQSA-N 215.300 2.128 0 40 BEAB CC(=O)Nc1cccc(Cl)c1N(C)C 45760191 DKKQVWPTQYQOJP-UHFFFAOYSA-N 212.680 2.364 0 40 BEAB Nc1ccccc1OCc1ccc(C(=O)O)o1 47474192 QMQQYVJXLOSFLY-UHFFFAOYSA-N 233.223 2.139 0 40 BEAB in-vitro Cc1cccc2nc(C3CC3)[nH]c(=O)c12 48860750 RUBFSXGPDJNBRO-UHFFFAOYSA-N 200.241 2.109 0 40 BEAB O=C(CCc1ccccc1)N[C@@H]1CCCC[C@H]1O 52000848 NTZKHITWYBDGJJ-ZIAGYGMSSA-N 247.338 2.039 0 40 BEAB CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 57792319 HZFGVRIGRCFKJH-SCZZXKLOSA-N 207.273 2.082 0 40 BEAB CCCS(=O)(=O)c1ccc(C(C)=O)cc1 58018470 ZFQLBNQCFSYLDY-UHFFFAOYSA-N 226.297 2.073 0 40 BEAB O=C(N1CC[C@H]2CCCC[C@@H]2C1)n1ccnc1 65553051 MEIKWCXMZCLBHN-VXGBXAGGSA-N 233.315 2.363 0 40 BEAB CCc1nc(CCNC(=O)C2CC2)sc1C 71854143 CVLUGGKEYMRPTO-UHFFFAOYSA-N 238.356 2.083 0 40 BEAB Cc1cc([C@H]2CCCCN2)cnc1N(C)C 72218633 MBZGIBGSDXXJLK-GFCCVEGCSA-N 219.332 2.271 0 40 BEAB CCS(=O)(=O)N1CCC[C@@H]1c1ccc(C)o1 72286627 TUBAWLGSBMYHQX-SNVBAGLBSA-N 243.328 2.075 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)ncn2C 74705397 OLJVJXRNMYCHRG-SECBINFHSA-N 231.299 2.102 0 40 BEAB CCOC(=O)[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C 84791183 XNAKQQFUKBGYFY-VHSXEESVSA-N 243.347 2.127 0 40 BEAB O=C(O)CN1CCC[C@@H]1CCc1ccccc1 89830472 RDXOCCLKEJWZMX-CYBMUJFWSA-N 233.311 2.168 0 40 BEAB CCc1ncnc(NCCc2ccc[nH]2)c1F 95985526 PJCIKCQLRGABQE-UHFFFAOYSA-N 234.278 2.161 0 40 BEAB CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O 96301190 GXQMAOCSDRSFSL-SNVBAGLBSA-N 235.308 2.072 0 40 BEAB N[C@H]1CCCN(Cc2nccc3ccccc23)C1 96523537 RMBALCNGKRXBAM-ZDUSSCGKSA-N 241.338 2.158 0 40 BEAB Cc1nc(-c2cccc(Cl)c2)cc(=O)[nH]1 96530926 ZTBVOVKHWVOQOA-UHFFFAOYSA-N 220.659 2.399 0 40 BEAB Cc1cccc(-n2cc(C=O)c(C)n2)c1 107368415 WKAYVIICLCURSY-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB C[C@@H](C1CC1)N(C(=O)[C@H]1C[C@H]2CC[C@H]1O2)C1CC1 107498721 GBZNTMMKSBRLSK-GSVCSZOMSA-N 249.354 2.343 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@@H]2[C@H](C)N)c1 108019211 SCBRMCDRXPTYCI-CKLFPEKLSA-N 221.300 2.155 0 40 BEAB Nc1cc(-n2cccn2)cc(C(F)(F)F)c1 116937152 GXYHOTMWDSOVKH-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB COC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3)c1 117296863 NIOGYEYZJWSVBN-BTTYYORXSA-N 245.322 2.471 0 40 BEAB Nc1c(CCC(=O)O)oc2ccccc12 206024606 HCLOKNMHMRCSEH-UHFFFAOYSA-N 205.213 2.032 0 40 BEAB O=C(O)C1=CCCCN1Cc1ccccc1 217466373 CUXANBFQLUQXLI-UHFFFAOYSA-N 217.268 2.251 0 40 BEAB c1nn(C2CCCC2)cc1CNC[C@@H]1CCCO1 256049482 ADJDQJOXWWFBKW-AWEZNQCLSA-N 249.358 2.267 0 40 BEAB CC[C@H](C)n1ccc(NCc2ccnn2C)n1 256053860 TXXABQJNCCUURE-JTQLQIEISA-N 233.319 2.200 0 40 BEAB Fc1ccccc1CN1CCN(C2CCC2)CC1 265024618 SWNNOJNUBGIOPR-UHFFFAOYSA-N 248.345 2.496 0 40 BEAB CC(C)(C)[C@H]1CCc2[nH]nc(C=O)c2C1 575414984 DKVVIKLULPSIIF-QMMMGPOBSA-N 206.289 2.373 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCC[C@H](N)C2)C1 606301701 XRKOWYCELVXFLF-JTQLQIEISA-N 240.347 2.125 0 40 BEAB CCc1cc(CO)c2cc(OC)ccc2n1 685937087 KFGMKMTVRUPDLN-UHFFFAOYSA-N 217.268 2.298 0 40 BEAB COc1cc(OCC(F)(F)F)ccc1CO 1776010737 NMKKHJQMWVAPAO-UHFFFAOYSA-N 236.189 2.129 0 40 BEAB COc1ccc(CCN(C)c2nncs2)cc1 2298055253 YUVWYLOVFIRMHQ-UHFFFAOYSA-N 249.339 2.226 0 40 BEAB O=C1C=CC(=O)N1c1c(Cl)cccc1Cl 94124 NBBSRCNQHUNISD-UHFFFAOYSA-N 242.061 2.423 0 40 BEAB CC(C)(C)NC(=S)NC(=O)c1ccccc1 491527 IAHAXKLLYOLNNP-UHFFFAOYSA-N 236.340 2.089 0 40 BEAB Cc1cccc([C@H]2NC(=O)c3ccccc3N2)n1 1438258 DAIKVIYFWDNQDB-CYBMUJFWSA-N 239.278 2.244 0 40 BEAB CCOC(=O)[C@@H](CC(=O)c1ccccc1)C(C)=O 1757056 YZRBASVLKZJUQM-LBPRGKRZSA-N 248.278 2.028 0 40 BEAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1 3159746 SDYHQJBFKVUTEF-UHFFFAOYSA-N 242.234 2.063 0 40 BEAB CCOC(=O)c1[nH]c2cc(C)ccc2c1C=O 3679817 JCNMIOFOJFTRNE-UHFFFAOYSA-N 231.251 2.466 0 40 BEAB CC(=O)O[C@H]1CC[C@H]2C[C@@H]1CC[C@H]2OC(C)=O 4159361 KTYSVMZPWITXDP-ZDEQEGDKSA-N 240.299 2.060 0 40 BEAB Oc1cnnc(SCc2cccc(F)c2)n1 4248969 FPYUUXFUWNHQON-UHFFFAOYSA-N 237.259 2.009 0 40 BEAB CCOc1ccc(C(=O)CCC(=O)O)cc1C 4943451 DSOGEBHLBXPYTC-UHFFFAOYSA-N 236.267 2.441 0 40 BEAB C[C@H](OC(=O)[C@H]1C[C@H]1C)C(=O)Nc1ccccc1 5699753 MTMNVCRGENNVIW-SCVCMEIPSA-N 247.294 2.213 0 40 BEAB CCOc1ccc([C@@H](C)NC(C)=O)cc1 6554335 YKDSIUMQCPPFHS-SECBINFHSA-N 207.273 2.282 0 40 BEAB COCCCNCc1ccc2c(c1)C[C@H](C)O2 6679751 DXAVLEBTUDGOIZ-NSHDSACASA-N 235.327 2.136 0 40 BEAB CC(=O)Nc1nnc2c(c1C)C[C@@H]1[C@H]2C1(C)C 8782859 OWPMCMVAYWHZBG-NXEZZACHSA-N 231.299 2.039 0 40 BEAB C[C@H](CN)c1nc2ccccc2n1C(F)F 9477682 SEMHBICJDBOMKL-SSDOTTSWSA-N 225.242 2.494 0 40 BEAB in-vitro COc1ccc(C(=O)N2CCC(C)CC2)cc1N 20155913 HYCUMIBDRAKZBJ-UHFFFAOYSA-N 248.326 2.150 0 40 BEAB CCc1nnc2ccc(N3CCCCCC3)nn12 32093664 CWOURHWCROCCBD-UHFFFAOYSA-N 245.330 2.067 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@H](C)O)c(OC)c1 34702402 CULABQLGBWDNOG-KPXOXKRLSA-N 222.284 2.188 0 40 BEAB O=C(c1ccc2c(c1)OCO2)c1ccco1 35904790 QCKIHEOJQXSBGP-UHFFFAOYSA-N 216.192 2.239 0 40 BEAB Cc1ccsc1CNC1CCOCC1 36319223 RLBRQUNHKQAJJO-UHFFFAOYSA-N 211.330 2.325 0 40 BEAB COCCn1c(C(=O)O)cc2sc(C)cc21 37263336 JQBMOYXOSUNBEM-UHFFFAOYSA-N 239.296 2.356 0 40 BEAB O=C(O)[C@@H](c1cccc(F)c1)N1CCCC1 37360172 OBAJONBZYUDYPB-LLVKDONJSA-N 223.247 2.047 0 40 BEAB O=Cc1cc(Cl)ccc1-n1cccn1 40448998 WBUBMRYIKPWSCJ-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB CS[C@@H](C)C(=O)Nc1ccc(Cl)cn1 40523484 DYWKOUKYZVZDDY-LURJTMIESA-N 230.720 2.425 0 40 BEAB O[C@@H](c1cccnc1)c1ccccc1F 41211488 NEXWRNHLCALCJW-LBPRGKRZSA-N 203.216 2.302 0 40 BEAB C[C@H](N)[C@@H](c1ccccc1Cl)n1cccn1 43053007 RBFBNXLLMBVAJX-CABZTGNLSA-N 235.718 2.473 0 40 BEAB C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 46125178 LSPJAKHEBSBMQL-NEPJUHHUSA-N 225.332 2.347 0 40 BEAB CC[C@H]1NCCc2c1ccc(OC)c2OC 52095435 PSATYRLBOKIHIX-LLVKDONJSA-N 221.300 2.301 0 40 BEAB CNC[C@@H]1CCN(Cc2ccc(C)s2)C1 53034637 CRDDNNOVRLXICC-NSHDSACASA-N 224.373 2.098 0 40 BEAB O=C(O)C(F)(F)c1cccc2cnccc12 61123590 JJDTTWJMISZFBJ-UHFFFAOYSA-N 223.178 2.411 0 40 BEAB Cc1nc(C(=O)OCCOC(C)C)cs1 66959809 RXKLWHHMQLFKIP-UHFFFAOYSA-N 229.301 2.033 0 40 BEAB CCc1nc(CSc2ncn[nH]2)cs1 69418758 OIHBHYMVEWMNAM-UHFFFAOYSA-N 226.330 2.116 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@@H]2CNCC[C@@H]2C)c1 71412719 ZZZQPTARSXWOBL-GXTWGEPZSA-N 246.354 2.031 0 40 BEAB c1cc(C[C@H]2CCNC2)c2cccnc2c1 72367584 FFRVQOSDKUWSSX-LLVKDONJSA-N 212.296 2.387 0 40 BEAB Brc1cnc2ccncc2c1 75252868 WRSZLHTTXPEKBD-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro CC(=O)N1CCC(c2ccsc2)CC1 77103586 MQNSEYJWMUGSSS-UHFFFAOYSA-N 209.314 2.474 0 40 BEAB Cc1n[nH]c(C)c1CNc1cncc(Cl)n1 78806375 NTKPBBZSKQTAQO-UHFFFAOYSA-N 237.694 2.082 0 40 BEAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CC1 84640680 GXGQIOTUVYBAGD-JTQLQIEISA-N 248.326 2.127 0 40 BEAB COC(=O)c1ccc([C@@H]2CCCCC2=O)nc1 85400067 SVIVTSIPVHTHJM-JTQLQIEISA-N 233.267 2.095 0 40 BEAB C1CCCN(c2nc(C3CC3)no2)CC1 89818999 GTWZAUBLMYIEBM-UHFFFAOYSA-N 207.277 2.327 0 40 BEAB O=C(c1ccccn1)N1C[C@@H]2CCCC[C@H]2C1 89878919 PWPVVAVHNDUVIK-RYUDHWBXSA-N 230.311 2.344 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)CCOCc1ccccc1 89920364 HZJACYYELBSWER-OCCSQVGLSA-N 247.338 2.318 0 40 BEAB C[C@@H]1CC[C@@H](C(=O)N2CCCCCCC2)O1 89922814 BWYZGCWZGPBRDJ-NEPJUHHUSA-N 225.332 2.347 0 40 BEAB Cc1ccc(-c2nc(CO)co2)cc1C 91355850 HLHNWHIIDFGLQO-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB O=C(NC[C@H]1CO1)c1ccc(Cl)cc1Cl 95096875 IJUYRVYLXBFPMT-ZETCQYMHSA-N 246.093 2.122 0 40 BEAB CS[C@H]1CCCCN(C2CCOCC2)C1 95457144 ZUABDSUTLQQXNA-LBPRGKRZSA-N 229.389 2.383 0 40 BEAB CCOCC(=O)N[C@H]1CCCC[C@H]1SCC 96456052 QJSWIDIUTOJGKL-WDEREUQCSA-N 245.388 2.203 0 40 BEAB O=C(OCc1ccccc1)N1CCCC[C@H](O)C1 97757654 ADANQYYHJVOFNG-ZDUSSCGKSA-N 249.310 2.170 0 40 BEAB C1=NN=C2SC(Cc3ccccc3)=N[C@H]12 100011968 BRUSTASFBBNNDO-SECBINFHSA-N 215.281 2.141 0 40 BEAB Cc1nc2nc(-c3ccccc3)nn2c(O)c1C 101518952 YUZQTPDRECSZBX-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB C[C@H](SCC(C)(C)C)C(=O)N(C)C 225640731 DFNKJUQTBPCTTI-QMMMGPOBSA-N 203.351 2.242 0 40 BEAB CCc1c(-c2ccc(O)cc2)noc1N 228948790 QZJRMFHLCAIJBV-UHFFFAOYSA-N 204.229 2.192 0 40 BEAB CC(C)OCc1ccnn1CC(F)(F)F 408717430 ZWTYNXPDSRAZCV-UHFFFAOYSA-N 222.210 2.370 0 40 BEAB O=C(c1ccc(F)c(F)c1)N1CC(C(F)F)C1 585392174 XMWIHQQVVODDCK-UHFFFAOYSA-N 247.191 2.302 0 40 BEAB COC(=O)c1cccn1-c1ccc(F)cc1 110542 VCKNFLYFRCDYHY-UHFFFAOYSA-N 219.215 2.403 0 40 BEAB COC(=O)c1cc(-c2ccc(OC)cc2)no1 266326 KPGXJKWDFWFKAR-UHFFFAOYSA-N 233.223 2.137 0 40 BEAB CCOc1cc2c(cc1OC)CN(C)CC2 1665853 GMOWSEYCUHCGNP-UHFFFAOYSA-N 221.300 2.082 0 40 BEAB CCCC(C)=C(C(=O)OCC)C(=O)OCC 1717309 LFJWMURFTGKOBF-UHFFFAOYSA-N 228.288 2.229 0 40 BEAB CC[C@@H](C)[C@@H](NCc1ccccc1)C(=O)O 1726741 GPAVORZIWQTJJQ-ZYHUDNBSSA-N 221.300 2.276 0 40 BEAB Cc1nc(C)c(-c2csc(N)n2)s1 4139473 MQRVWXNHZWZVMR-UHFFFAOYSA-N 211.315 2.466 0 40 BEAB in-vitro CC(C)(O)[C@@H]1CCN(Cc2ccccc2)C1 4203901 BESBVPBWOJMGFI-CYBMUJFWSA-N 219.328 2.279 0 40 BEAB CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@@H]12 5016578 WMCIENSNBKBGKV-HKCMKHECSA-N 247.338 2.230 0 40 BEAB CC(C)C(=O)OCc1cc2ccccc2[nH]c1=O 5161635 LLIQTXIDIHDEFT-UHFFFAOYSA-N 245.278 2.227 0 40 BEAB CCC(=O)c1cc(OC)c(O)c(OC)c1 5459694 CXCPJZXJNRBTGF-UHFFFAOYSA-N 210.229 2.002 0 40 BEAB biogenic CC[C@@]1(C(=O)OC)CCc2ccccc2C1=O 5700578 MCTSXXIDKJVVPW-CQSZACIVSA-N 232.279 2.385 0 40 BEAB CCOC(=O)C(C(C)=O)=C(SC)SC 5795698 AXMITKLWOIYLEA-UHFFFAOYSA-N 234.342 2.076 0 40 BEAB Sc1nnc2c(Cl)cc(Cl)cn12 6413902 JDSFMQYOLKDWJO-UHFFFAOYSA-N 220.084 2.325 0 40 BEAB in-vitro CC1(C)Oc2nc[nH]c(=O)c2[C@@H]1c1ccccc1 8642366 SWDMUCYEVINBAC-NSHDSACASA-N 242.278 2.073 0 40 BEAB Cc1cc(OCC(=O)Nc2ccccc2)no1 8728552 KORSMQZOYKVDJG-UHFFFAOYSA-N 232.239 2.001 0 40 BEAB CCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2O1 12988470 DBBIYBAJZRFYHC-LBPRGKRZSA-N 233.311 2.295 0 40 BEAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C 19498278 RDUORFDQRFHYBF-QMMMGPOBSA-N 216.284 2.383 0 40 BEAB biogenic,in-vivo COCCCN[C@H](C)c1ccc(OC)cc1 20142421 UBQYJRPRGPVPOF-LLVKDONJSA-N 223.316 2.382 0 40 BEAB CCCCS(=O)(=O)Nc1cccc(N)c1C 20157054 JVDUOECPGJFDEX-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB CNCC(=O)Nc1cccc(Cl)c1Cl 20246470 ATZLLFBIRPCASZ-UHFFFAOYSA-N 233.098 2.151 0 40 BEAB COC(=O)[C@H](C(C)C)N1C[C@H](C)C[C@@H](C)C1 22123351 XGODMWPEWRNOJL-UTUOFQBUSA-N 227.348 2.162 0 40 BEAB CC(C)(C)[C@H](O)CNCc1ccccc1 26897857 IIIQLKNDWDXXNP-GFCCVEGCSA-N 207.317 2.183 0 40 BEAB CCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 36379854 KYHJIZBPFBUCSV-GXTWGEPZSA-N 218.344 2.431 0 40 BEAB in-vitro Nc1nc(-c2ccccc2)ccc1C(=O)O 38541208 WBWNWGVUZCLHFV-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB Cc1cnc(C(=O)N[C@@H](C)c2ccc(C)o2)cn1 39975807 BWCRMCRJNFPOMD-JTQLQIEISA-N 245.282 2.177 0 40 BEAB C[C@H]1CC(O)C[C@H](C)N1Cc1ccccc1 40539459 LDYXEQLMMZDMQB-RYUDHWBXSA-N 219.328 2.420 0 40 BEAB COC(=O)c1cccc([C@H]2CCCCN2)c1 44135437 SGQRPGAFXLWANY-GFCCVEGCSA-N 219.284 2.288 0 40 BEAB C[C@@H](c1ccccc1F)N1CCC(O)CC1 51590158 XYEQNTAUECBAEU-JTQLQIEISA-N 223.291 2.343 0 40 BEAB C[C@@H]1CCCN(C(=O)NCc2cscn2)C1 51749222 NBDDHRZLSPFZRB-SECBINFHSA-N 239.344 2.085 0 40 BEAB CCC(=O)N1CCC(OCC(C)C)CC1 55909784 HJFUAJRXSXOCHG-UHFFFAOYSA-N 213.321 2.060 0 40 BEAB CC[C@@H](C)C(=O)NC1(C(=O)OC)CCCCC1 58330937 BVBSUMOBAMCISY-SNVBAGLBSA-N 241.331 2.025 0 40 BEAB Nc1c(C(=O)O)sc2cc(F)ccc12 59570862 RBQQRZYJPWFREA-UHFFFAOYSA-N 211.217 2.321 0 40 BEAB CCCN1CCCN(c2nccs2)CC1 60099572 WXUYFXDNBABVMB-UHFFFAOYSA-N 225.361 2.065 0 40 BEAB CCc1noc(CN2CCC[C@@H](CC)C2)n1 65554814 FPYSSIKYDCAYLY-SNVBAGLBSA-N 223.320 2.254 0 40 BEAB CNC(=O)CCc1ccccc1OC(F)(F)F 66607689 MPXVIKVVRMMRGL-UHFFFAOYSA-N 247.216 2.264 0 40 BEAB Fc1ccc(CNC2CCNCC2)c(Cl)c1 67802650 MBQLPUBUPKOUJG-UHFFFAOYSA-N 242.725 2.321 0 40 BEAB C[C@@H](c1cccc(O)c1)N(C)Cc1nccn1C 71897182 RAVOAYFTXZVDCE-NSHDSACASA-N 245.326 2.319 0 40 BEAB CCCNC(=O)c1ccc2c(c1)nc(C)n2C 74957273 PWXMKAPBZAIGOG-UHFFFAOYSA-N 231.299 2.022 0 40 BEAB Cc1oc(C(=O)O)cc1Br 85395002 HFDIFDFYMUMTBN-UHFFFAOYSA-N 205.007 2.049 0 40 BEAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)C1CC1 87410951 DOGOLEPVQLOIPQ-XJKSGUPXSA-N 241.334 2.417 0 40 BEAB CCOC(=O)C(C)(C)C1CCOCC1 88248373 ZZQWSSNYWVSMAB-UHFFFAOYSA-N 200.278 2.002 0 40 BEAB CC1(C)CCC[C@H]1NCCCO[C@H]1CCOC1 95423741 SDZXPSCUEVAPNU-QWHCGFSZSA-N 241.375 2.350 0 40 BEAB CO[C@@]1(C)CCN(Cc2ccccc2)C1 96511314 WEIZCDNJWXGFBP-ZDUSSCGKSA-N 205.301 2.297 0 40 BEAB COCc1noc([C@H](C)N2CCC(C)(C)C2)n1 97085983 XJUFXFDRZNKIPL-VIFPVBQESA-N 239.319 2.009 0 40 BEAB CCC(CC)S(=O)(=O)Cc1ccccn1 97212246 VWEXMVYVSGXTFP-UHFFFAOYSA-N 227.329 2.185 0 40 BEAB C/C=C/C[S@](=O)Cc1nc(C)c(C)o1 97370543 TXYLNHYWHKNEQF-ISZGNANSSA-N 213.302 2.116 0 40 BEAB CSC(=S)C1C(=O)CC(C)(C)CC1=O 100102206 SWPZFEGOJQXUOW-UHFFFAOYSA-N 230.354 2.251 0 40 BEAB COc1ccccc1CNC(=O)C1[C@@H]2CCC[C@@H]12 101457557 DLKBMNALTSMEOM-VXGBXAGGSA-N 245.322 2.358 0 40 BEAB CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)C1CC1 102183035 WANGUCMOSQJJHM-NHCYSSNCSA-N 205.301 2.210 0 40 BEAB CC(C)[C@H](N)CCN(C)C(=O)c1ccsc1 132992316 HLNIEXLMJNHWGA-LLVKDONJSA-N 240.372 2.194 0 40 BEAB CCCNC(=O)c1cc(N)ccc1NCC(C)C 225453443 DHADZSOJPULPHV-UHFFFAOYSA-N 249.358 2.477 0 40 BEAB Cc1ccc(OCCO[C@H]2CCCCO2)nc1 225664263 NRVZKGIWCQMUQG-ZDUSSCGKSA-N 237.299 2.312 0 40 BEAB N#Cc1cc(C=O)ccc1OCC1CC1 236414741 QDKOEODUGOXMSY-UHFFFAOYSA-N 201.225 2.160 0 40 BEAB O=C1[C@H]2CC[C@H](C2)[C@@H]1CN1CCCCC1 393953 OEAONVDZGJMUKW-WOPDTQHZSA-N 207.317 2.088 0 40 BEAB Oc1nc(=S)c2ncn(-c3ccccc3)c2[nH]1 1562352 XNSVYORQDHFRNN-UHFFFAOYSA-N 244.279 2.184 0 40 BEAB CC(C)O[C@@H]1NC(=O)Oc2ccccc21 1576353 AJHIFDZDOUDWQF-JTQLQIEISA-N 207.229 2.212 0 40 BEAB O=C(O)Cc1ccnc(-c2ccccc2)c1 1675574 WRGFYPVBCRIIAM-UHFFFAOYSA-N 213.236 2.376 0 40 BEAB COC(=O)[C@@H]1CC(C)(C)[C@@H]1CCC(C)=O 1718200 NVBQKDWBPLOTBN-NXEZZACHSA-N 212.289 2.191 0 40 BEAB CCN(CC)C(=O)C1=Cc2ccccc2OC1 2021532 QBXPAPFWRWTDDL-UHFFFAOYSA-N 231.295 2.331 0 40 BEAB COC(=O)Cc1c(F)cccc1Cl 2570117 PBWURASHXOJZGA-UHFFFAOYSA-N 202.612 2.195 0 40 BEAB in-vitro O=c1cc(O)cc(CCc2ccccc2)o1 2599143 LRLHYVOJDHICAU-UHFFFAOYSA-N 216.236 2.131 0 40 BEAB CCOc1ccc(NC(=O)/C(C)=C/C(=O)O)cc1 2886758 XKFPOICHSTXLIF-CMDGGOBGSA-N 249.266 2.055 0 40 BEAB Nc1cccc2c1C(=O)N(C1CCCCC1)C2=O 4245346 SQSHWKUJNTYMEN-UHFFFAOYSA-N 244.294 2.198 0 40 BEAB Cn1c(CN2CCCCC2)nc2cc(N)ccc21 4911353 PBKMTFQHTZTKQQ-UHFFFAOYSA-N 244.342 2.141 0 40 BEAB Cc1cc(COC(=O)c2ccc(O)cc2)no1 7745898 LQDSBNSKCJINLJ-UHFFFAOYSA-N 233.223 2.046 0 40 BEAB Cc1cccc(NC(=O)N2CCC[C@H](CO)C2)c1 8937036 IGOAIYPIYCFKHO-LBPRGKRZSA-N 248.326 2.231 0 40 BEAB CC[C@H](C)NC[C@@H](O)COc1ccc(C)cc1 10384165 CFICZWAOJCDSHZ-QWHCGFSZSA-N 237.343 2.123 0 40 BEAB Cc1nc2c(c(NCC(C)C)n1)CCC2 12016444 DJBIWJNPCCWUCK-UHFFFAOYSA-N 205.305 2.342 0 40 BEAB O=C(Nc1ccc(F)cc1)Oc1ccc[nH]c1=O 13634519 CFKRYYYJFGYXSH-UHFFFAOYSA-N 248.213 2.125 0 40 BEAB Cc1ccc(N[C@@H]2C[C@H](C)NC(S)=N2)cc1 13686452 DTYOZCJJILFVHX-ONGXEEELSA-N 235.356 2.401 0 40 BEAB CC(=O)C[C@@H]1C(=O)N(c2ccccc2)N=C1C 16607811 FYEJDZMCBMJDAK-LBPRGKRZSA-N 230.267 2.004 0 40 BEAB CCN(CC)CCNCc1sccc1C 19871984 FIGNNHRGOFWSPD-UHFFFAOYSA-N 226.389 2.488 0 40 BEAB COc1cc(CNCC(C)C)cc(OC)c1O 20085829 BMZCURAMUOVNAF-UHFFFAOYSA-N 239.315 2.155 0 40 BEAB CCCCS(=O)(=O)Nc1ccc(N)c(C)c1 20157114 BHVUBHNLADJQGC-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB CC[C@H](NC)c1cc(OC)ccc1OC 20265025 JUWXRKAQXLRMLH-NSHDSACASA-N 209.289 2.374 0 40 BEAB CCOC(=O)CC(=O)c1ccccc1OCC 20475425 QVZNRSWQQXYTTP-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB COc1cccc([C@]2(O)CCCC[C@@H]2CN)c1 21986239 QNPPIKMBCJUUTG-TZMCWYRMSA-N 235.327 2.032 0 40 BEAB CCOc1ccccc1C(=O)Nc1ccn(C)n1 22471759 OHAZSFIKPVXWOM-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB O=C(Nc1ccc(Cl)cn1)C1CCOCC1 26088448 YELLZTKDHOHPCB-UHFFFAOYSA-N 240.690 2.100 0 40 BEAB O=C(O)C(=O)c1ccc2ccccc2c1 29563531 UQQMNAKUWQWIMD-UHFFFAOYSA-N 200.193 2.107 0 40 BEAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1 32012610 DAGWNRUYMBGFSV-KCJUWKMLSA-N 211.692 2.389 0 40 BEAB in-vitro CC1CCN(C2(CN)CCCCC2)CC1 32497120 QBONHBWSWAFTTK-UHFFFAOYSA-N 210.365 2.380 0 40 BEAB in-vitro C[C@H](c1ccccc1)N1CCC[C@@H](O)C1 32751313 WSJYBUKJXSWDRV-DGCLKSJQSA-N 205.301 2.204 0 40 BEAB CCC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 32768136 WMQZZYADZSJOTQ-GWCFXTLKSA-N 233.311 2.295 0 40 BEAB COCCN(CC(C)C)C(=O)c1ccccc1 32800775 FKVZFCUPPXOBHC-UHFFFAOYSA-N 235.327 2.431 0 40 BEAB Cc1ccc(C(=O)Nc2cn[nH]c2)c(C)c1 35237595 IXQXOCOAGQPDQM-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB CC(C)(C)c1nn(-c2ccccc2)c(N)c1N 35572240 NAKSENKSRWGZIF-UHFFFAOYSA-N 230.315 2.334 0 40 BEAB Cn1cc(Nc2nc3ccccc3o2)cn1 37999171 XELCMUZCFRJRQX-UHFFFAOYSA-N 214.228 2.305 0 40 BEAB O[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 38538953 QWXKCJSTTWXYOH-LLVKDONJSA-N 245.244 2.272 0 40 BEAB in-vitro CCCC[C@@H](CC)CNC(=O)CNC1CC1 40420335 AEHONAGTEZYVND-LLVKDONJSA-N 226.364 2.071 0 40 BEAB CCc1ccc(C(=O)N2CCO[C@@H](CC)C2)o1 40514072 WXDMACUGZKYBBN-NSHDSACASA-N 237.299 2.093 0 40 BEAB CCC(=O)N1CCO[C@@H](c2ccccc2F)C1 41171597 OHWRJWICMAUKLQ-GFCCVEGCSA-N 237.274 2.136 0 40 BEAB CN(CC1CCOCC1)c1ccc(F)cc1N 42783219 OBCPYLBHLDHJJL-UHFFFAOYSA-N 238.306 2.271 0 40 BEAB COC(=O)c1n[nH]c(C(C)C)c1Br 44242596 AGSRGZZMUJBCMH-UHFFFAOYSA-N 247.092 2.082 0 40 BEAB Cc1c(C(=O)N(C)CC2CCCCC2)cnn1C 44710747 PSWXICIDGUKELN-UHFFFAOYSA-N 249.358 2.381 0 40 BEAB COc1ccc(C(=O)c2cccnc2)c(OC)c1 45028798 MPELHYBBRVDGIA-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB O=c1[nH]c(-c2ccncc2)nc2ccc(F)cc12 48606599 UGECVLHZOPEEET-UHFFFAOYSA-N 241.225 2.124 0 40 BEAB CC(=O)Nc1ccc(C(C)(C)CC(=O)O)cc1 57347570 GYPFTMSMFHHGSY-UHFFFAOYSA-N 235.283 2.397 0 40 BEAB CON(C)C(=O)c1c[nH]c2cc(Cl)ccc12 58357963 BVRYWPLJSJQYDR-UHFFFAOYSA-N 238.674 2.455 0 40 BEAB O=C(N[C@@H]1CCCOc2ccccc21)C1CC1 58379974 NMEATMYUGSWZNE-GFCCVEGCSA-N 231.295 2.427 0 40 BEAB COc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)cn1 61311029 ZCZLAMRWHMZKLR-VIFPVBQESA-N 249.314 2.352 0 40 BEAB CCCC(=O)N(Cc1ccccn1)C1CC1 70245116 KNLVNMLOGMBMGW-UHFFFAOYSA-N 218.300 2.373 0 40 BEAB CCS(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 70248354 XYDXIWJHXDLXRO-VIFPVBQESA-N 245.319 2.168 0 40 BEAB CCCN(CC1CC1)CC1(O)CCCC1 78870071 APZRSZRXQMGSDQ-UHFFFAOYSA-N 211.349 2.414 0 40 BEAB Clc1ccc2[nH]c(Br)nc2n1 80441379 UJKRDFYTCSXHEM-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB COC(=O)Cc1coc2c(OC)cccc12 85221633 KFYZUXHQZPYTME-UHFFFAOYSA-N 220.224 2.157 0 40 BEAB O=C(NCCc1ccoc1)c1ccsc1 90607370 DLSLWNVGEGEVBX-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB CCn1nc(C)c(NCC2=CCCOC2)c1C 92568044 SBFDEWXXXBYDLZ-UHFFFAOYSA-N 235.331 2.278 0 40 BEAB CC[C@H]1NCCC[C@@H]1[C@H](O)c1ccccc1 95095231 HTUWJVPCNGAXBL-BFHYXJOUSA-N 219.328 2.498 0 40 BEAB COCCn1c(C=O)nc2cc(Cl)ccc21 95095719 WVPKBIHRLCPRQV-UHFFFAOYSA-N 238.674 2.149 0 40 BEAB O=C(O)c1ccc(Cl)c(O)c1Cl 95101165 PWYTVCDAONKNGR-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB NC(=O)CCSc1ncc(-c2ccccc2)o1 95413669 UQWPWCPSHWHAKY-UHFFFAOYSA-N 248.307 2.309 0 40 BEAB CC(=O)OCC[C@@H](C)CC[C@H](O)C(C)(C)F 95470357 HDLMFYXQXJIEQK-ONGXEEELSA-N 234.311 2.465 0 40 BEAB COc1cccc(NC(=S)NCC2CC2)c1 95948236 UGYARDPRTBLRSY-UHFFFAOYSA-N 236.340 2.392 0 40 BEAB CCN(CC(=O)Nc1c(C)cccc1O)C1CC1 96497142 XTTSIMCZJMEKHD-UHFFFAOYSA-N 248.326 2.123 0 40 BEAB CCCN(CC1CC1)C[C@@H](N)CCSC 96523873 MYZVIZJQPVCMOH-LBPRGKRZSA-N 230.421 2.189 0 40 BEAB COCCCOc1ccc(N(C)C(C)=O)cc1 97114880 KYDFNDOMSOTXDN-UHFFFAOYSA-N 237.299 2.085 0 40 BEAB COCOc1ccc(Br)c(OC)c1 118231774 WAEQYJXXGZMKDX-UHFFFAOYSA-N 247.088 2.440 0 40 BEAB CC(C)[C@H](C)SCCCN1CCN(C)CC1 130907692 SVOAWDFAGULDCM-ZDUSSCGKSA-N 244.448 2.402 0 40 BEAB C[C@@H](NN)c1ccccc1OC(F)(F)F 161804516 GDKPLLBLNVYRMV-ZCFIWIBFSA-N 220.194 2.110 0 40 BEAB COc1ccc(NC(=O)C(C)(C)OC)cc1 170966170 HGYMBYYOKPRNEC-UHFFFAOYSA-N 223.272 2.059 0 40 BEAB COC(=O)c1c(Br)noc1C1CC1 260314010 IHZHYSZTPYOQLY-UHFFFAOYSA-N 246.060 2.101 0 40 BEAB Cn1c2cc(Cl)ccc2c2ncnc(NN)c21 408712511 ZZYHMXDOXUAPRF-UHFFFAOYSA-N 247.689 2.061 0 40 BEAB O[C@@]1(CNc2ncc(Cl)cn2)C=CCCC1 1776001588 ZQFPTPIZALHZQS-NSHDSACASA-N 239.706 2.013 0 40 BEAB C[C@@H](CO)Nc1ccc(F)c(Cl)c1 406002 KLMJTKRRVZWMMR-LURJTMIESA-N 203.644 2.272 0 40 BEAB COc1ccc(C[n+]2ccccc2)cc1 1556114 IFFBKZAYSFHSFE-UHFFFAOYSA-N 200.261 2.031 0 40 BEAB CCCNc1ccc(C2=NCCCN2)cc1 1606531 KRDYWZUNEDOVDY-UHFFFAOYSA-N 217.316 2.248 0 40 BEAB CCCSc1cc(Cl)nc(N)n1 1672599 WNAYBJUQBFQPPT-UHFFFAOYSA-N 203.698 2.214 0 40 BEAB CCCCNC(=O)c1cc(OC)cc(OC)c1 2080941 AMVFIDNKEHIPPE-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB COc1nc(C)nc2sc3c(c12)CCC3 3069822 WHKWDKMXQDQHGV-UHFFFAOYSA-N 220.297 2.497 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccccc1C(=O)O 3158762 IGQZJHOQJUCQRT-DSXPNFDZSA-N 231.251 2.456 0 40 BEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3195873 YZJCDAPHRDTDQY-LLVKDONJSA-N 239.340 2.250 0 40 BEAB O=C1c2ccccc2-c2ccccc2N[C@@H]1O 4983935 APPZBVZHLIDLCS-CQSZACIVSA-N 225.247 2.280 0 40 BEAB CCCNC(=O)CSCc1csc(C)n1 9039978 PFZQJFZGRFMLRA-UHFFFAOYSA-N 244.385 2.211 0 40 BEAB CC[C@H](C)NC[C@@H](O)COc1ccccc1C 16758633 ILLZYUQZSHRPQG-QWHCGFSZSA-N 237.343 2.123 0 40 BEAB N=C1CCCN1C[C@@H](O)c1ccc(Cl)cc1 26506914 FKJNPJSKYNGTLZ-LLVKDONJSA-N 238.718 2.446 0 40 BEAB CCn1nccc1CNC(=O)CCC1CCCC1 28219420 GKYRGFAELHVGOJ-UHFFFAOYSA-N 249.358 2.490 0 40 BEAB CCn1cnc2c(oc3nc(C)cc(C)c32)c1=O 32124503 ZLBWXTMCJDRWEN-UHFFFAOYSA-N 243.266 2.174 0 40 BEAB biogenic COC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 34451445 HUSNZWYHFRIZPG-SCZZXKLOSA-N 205.257 2.147 0 40 BEAB CCOCCNCc1cccc(Cl)c1 35151070 KWUVSRBNSNMXBS-UHFFFAOYSA-N 213.708 2.466 0 40 BEAB CCC[C@@H](N)C(=O)N(CC)Cc1ccccc1 36873095 HHJPDKQIPXSPQE-CYBMUJFWSA-N 234.343 2.163 0 40 BEAB CCN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 38418564 PAQAPNMIMNVLJD-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB Cc1ncsc1C(=O)NCc1cccs1 40529034 WJSXPCUXIJZREY-UHFFFAOYSA-N 238.337 2.443 0 40 BEAB COc1ccccc1[C@H](O)c1ccco1 41212479 FZVWTLFJLOJXFS-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB Cc1cc(N)nn1-c1ccccc1Cl 54404741 UWTAAGCNRMXMMZ-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB in-vitro CCN1C(=O)C(C)(C)c2cc(N)cc(C)c21 57341400 RJLHCPGBOIKOOY-UHFFFAOYSA-N 218.300 2.221 0 40 BEAB O[C@H](c1cc2ccccc2o1)[C@H]1CCCNC1 58041523 ZGCFKLXAAGUOFV-FZMZJTMJSA-N 231.295 2.466 0 40 BEAB C[C@H](O)[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 62714028 PLBQRFXDNOQHNE-KPXOXKRLSA-N 204.269 2.106 0 40 BEAB CC(C)N1CCN(Cc2cccs2)CC1 65539311 PAOMUIXLUIPCRU-UHFFFAOYSA-N 224.373 2.274 0 40 BEAB CC(C)(C)CC(=O)NC[C@](C)(O)c1ccccc1 70639503 ADUXJRVKKJUCRG-HNNXBMFYSA-N 249.354 2.447 0 40 BEAB Cc1nc(N)ccc1[C@H](O)c1ccccc1 72224126 RKFPKEXCZMYGCW-CYBMUJFWSA-N 214.268 2.054 0 40 BEAB CCN(CC)c1ccc([C@@H](C)N)c(C)n1 72224308 KJWSHQFTXYPIRI-SECBINFHSA-N 207.321 2.256 0 40 BEAB O=C(C1CC1)N1CCc2c([nH]c3ccccc23)C1 82358284 IYTCFSIGCDKTRB-UHFFFAOYSA-N 240.306 2.463 0 40 BEAB O=C(c1cc[nH]n1)N1CCc2c(Cl)cccc21 89800169 MXUHFLGGQAKUFN-UHFFFAOYSA-N 247.685 2.266 0 40 BEAB CN(C)[C@H](CNc1ccc(Cl)cn1)C1CC1 91481945 POXMHLBNYYWLOU-LLVKDONJSA-N 239.750 2.487 0 40 BEAB COCc1nc(C)cc(N2C[C@H]3CCC[C@@H]3C2)n1 95410695 DEHDEWPPFROMEB-VXGBXAGGSA-N 247.342 2.168 0 40 BEAB CC(=O)N1C[C@@H](CCC(=O)O)c2ccccc21 95829663 XSWZWXKJMUNFPF-SNVBAGLBSA-N 233.267 2.002 0 40 BEAB in-vitro O=C(O)[C@H]1CCN(CC2CC2)c2ccccc21 96515738 KJXBSWZRSWQUMV-LBPRGKRZSA-N 231.295 2.475 0 40 BEAB COC[C@@H](C)OC(=O)c1ccc(C(C)=O)cc1 97084227 GXQNAOPEQZTAKW-SECBINFHSA-N 236.267 2.081 0 40 BEAB COC(=O)c1cc(N[C@H]2CCOC2)cc(C)c1C 97084888 GNXRRYWFYZDSIX-NSHDSACASA-N 249.310 2.291 0 40 BEAB O=C1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1C2 100003170 PDLKQXJZJXLNBA-WGBDABJCSA-N 208.301 2.297 0 40 BEAB biogenic COCC[C@@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1C 110614874 HTFGYHDJXIFHMC-TUAOUCFPSA-N 242.363 2.241 0 40 BEAB CC(C)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 115005687 FJHPEVGAZVQMHL-UWVGGRQHSA-N 229.320 2.013 0 40 BEAB N[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 218883694 JTSPYXFCIXDUNO-WDEREUQCSA-N 212.243 2.257 0 40 BEAB CC(C)Nc1ccc(C(=O)N2CCCC2)cc1N 225406477 QDLKCKBSRAEKOO-UHFFFAOYSA-N 247.342 2.325 0 40 BEAB O=C(C1CCCC1)N1CC[C@H](OCC2CC2)C1 390832223 YCHAFTZUHHCURX-ZDUSSCGKSA-N 237.343 2.204 0 40 BEAB CCCc1ccc(C(=O)COC(C)=O)cc1 394657797 BBHTVLRUNCDQAB-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB O=C(NCC(=O)C1CCC1)OCc1ccccc1 406034813 XVEQCEHIYLKVRZ-UHFFFAOYSA-N 247.294 2.282 0 40 BEAB CC1(C)Oc2c(cnc3ccccc23)NC1=O 953105890 OHEVBAQLYPIJQD-UHFFFAOYSA-N 228.251 2.344 0 40 BEAB COc1nccnc1N1CCc2sccc2C1 1889091600 OGAPTMGNCVSGKM-UHFFFAOYSA-N 247.323 2.109 0 40 BEAB Cc1c(Cl)c(Cl)nc(Cl)c1C(N)=O 53824 MOFXYRPTBWRBBG-UHFFFAOYSA-N 239.489 2.449 0 40 BEAB CC(=O)CSCC(=O)Nc1ccc(C)cc1 148706 VTUYDLJMOYYSBL-UHFFFAOYSA-N 237.324 2.256 0 40 BEAB Cc1cc(NC(N)=O)ccc1Br 1853755 CRGNBCADENCADB-UHFFFAOYSA-N 229.077 2.248 0 40 BEAB in-vitro CCn1c2c(c(=N)c3c1CCC3)CCCC2 4110634 RDKPMNKWSNJWRL-UHFFFAOYSA-N 216.328 2.355 0 40 BEAB biogenic Clc1cc(-c2ccccc2)nc2ncnn12 4228048 PHVJNOYGIOXBRH-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB in-vitro CCSc1nnc2c3ccccc3ncn12 4537035 BJQUIEWDGZWEPD-UHFFFAOYSA-N 230.296 2.390 0 40 BEAB c1ccc2c(c1)C[C@H](CN1CCCCC1)O2 4713687 ZYVNJOJLNKFXGE-CYBMUJFWSA-N 217.312 2.476 0 40 BEAB O=c1c(=S)[nH]ccn1-c1ccc(F)cc1 6817499 SIZOTJDNNAMHFT-UHFFFAOYSA-N 222.244 2.034 0 40 BEAB Cc1cc(=O)c2cc(F)c(F)c(F)c2[nH]1 11731158 JGNHTQCTLBOFAD-UHFFFAOYSA-N 213.158 2.254 0 40 BEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCCC1 17283367 UWFGZRZUBQKZAZ-CQSZACIVSA-N 244.338 2.102 0 40 BEAB C[C@@H](NCc1c(F)cccc1Cl)C(=O)O 19787723 RZDVELFLKLIEGH-ZCFIWIBFSA-N 231.654 2.042 0 40 BEAB in-vitro NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 20154631 IFRQTKUEPYNESQ-UHFFFAOYSA-N 248.307 2.094 0 40 BEAB Cc1nc(CC(=O)NCc2ccccc2)cs1 21003584 POTMBNKOBFXIJB-UHFFFAOYSA-N 246.335 2.310 0 40 BEAB CCCc1nc2ccccc2n1CCC(=O)O 28188408 YQIURBKXDWBCCH-UHFFFAOYSA-N 232.283 2.464 0 40 BEAB in-vitro CCc1nnc(CN2CCCCCC2)o1 32863641 XXPGESPYMKGVBU-UHFFFAOYSA-N 209.293 2.008 0 40 BEAB Cn1nc(N)c2cc(Cl)c(C3CC3)nc21 32911362 LKTUAHAMYDSUQR-UHFFFAOYSA-N 222.679 2.081 0 40 BEAB Nc1cccc(-c2ccc(Cl)nn2)c1 34264350 AOJRFIYYPMBVPV-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB COc1cccc(CNCc2c(C)n[nH]c2C)c1 37680417 KKQXVUPWIVSQTL-UHFFFAOYSA-N 245.326 2.325 0 40 BEAB CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)N 37808715 DZUYKMZPFGMEDX-VIFPVBQESA-N 240.734 2.036 0 40 BEAB COC(=O)/C=C/c1cc(C)ccc1OC 39644165 LGMMYQRCYZPGFG-FNORWQNLSA-N 206.241 2.190 0 40 BEAB CCOC(=O)CCCCO[C@H]1CCCCO1 43503671 SMCMIBRXVPZUNM-GFCCVEGCSA-N 230.304 2.263 0 40 BEAB CC(C)c1cc(C(=O)NCc2ccco2)n[nH]1 44816828 ZOIBSIFKEVKHHU-UHFFFAOYSA-N 233.271 2.056 0 40 BEAB CC(C)C[C@H](NS(C)(=O)=O)c1cccs1 48368521 WRVPWAXRGSDZKM-VIFPVBQESA-N 247.385 2.385 0 40 BEAB CCSc1nc(C)cc(SCC(=O)O)n1 49468922 JJHKTGSVHFKWDI-UHFFFAOYSA-N 244.341 2.074 0 40 BEAB CC(C)CNC(=O)CSC1CCCC1 60966001 GCAFSVNGQDOOJY-UHFFFAOYSA-N 215.362 2.434 0 40 BEAB CNc1cc(-c2ccc(OC)cc2)n[nH]1 62667557 DOTSDWRKOSVFKY-UHFFFAOYSA-N 203.245 2.127 0 40 BEAB in-vitro CCc1ccc([C@H](C)C(=O)N(C)C)cc1 68100598 ZUFPCKDDAZZORP-JTQLQIEISA-N 205.301 2.441 0 40 BEAB CCOC(=O)N(C)CCOc1ccc(F)cc1 70247593 DYSUOCZSZQWPLO-UHFFFAOYSA-N 241.262 2.293 0 40 BEAB in-vitro Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C=O 72218773 AKRWLFVNDNQUMP-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB NCC1(c2cc(-c3ccco3)on2)CCC1 72220665 GWFHYPLQCQSCBN-UHFFFAOYSA-N 218.256 2.315 0 40 BEAB COc1ccc(-c2ccc(C(=O)O)o2)cc1N 73640296 ZHZFALHSJRACLK-UHFFFAOYSA-N 233.223 2.236 0 40 BEAB COc1ccc2c(c1)CCC[C@]21CCN1 84179071 HYNZVFUZJDJRNU-ZDUSSCGKSA-N 203.285 2.220 0 40 BEAB CCOC(=O)[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C 84791182 XNAKQQFUKBGYFY-ZJUUUORDSA-N 243.347 2.127 0 40 BEAB Clc1cnc2cc(Br)cnc2n1 85400356 RIKFTUYVFVZVQA-UHFFFAOYSA-N 244.479 2.441 0 40 BEAB CC1CCC(O)(CN(C)[C@@H]2CCSC2)CC1 89936598 WXQVKFCWQIHPNF-OTTFEQOBSA-N 243.416 2.365 0 40 BEAB Cc1ncn(COC(=O)c2ccccc2)c1C 92856924 GRARLDUDLKOURO-UHFFFAOYSA-N 230.267 2.314 0 40 BEAB CN(C)c1nccc(N(C)C2CCCCC2)n1 95960923 NHYGINQQLWUFNW-UHFFFAOYSA-N 234.347 2.312 0 40 BEAB Cc1ccc([C@H](O)CN[C@@H]2CCO[C@H](C)C2)cc1 95983900 PGFTVZIMDQMPJF-BPLDGKMQSA-N 249.354 2.186 0 40 BEAB COc1ccc2c(cc(Br)n2C)n1 96029591 FFSHJITVIRNPPK-UHFFFAOYSA-N 241.088 2.344 0 40 BEAB Cc1cccc(CCN2CCC(CN)CC2)c1 96523638 WAHSTTQTIXDOHM-UHFFFAOYSA-N 232.371 2.208 0 40 BEAB CC(C)CNc1cc(CN(C)C)ccn1 97236815 VCHLVGRAAAPWFI-UHFFFAOYSA-N 207.321 2.211 0 40 BEAB O=C(NCCC1CC1)NC1Cc2ccccc2C1 97377409 HHCFHPWUYQTVTO-UHFFFAOYSA-N 244.338 2.253 0 40 BEAB O=C(O)c1cc(O)c(Cl)c(Cl)c1 116231002 LVFSEVVQHBJLQX-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB Oc1nc(C(F)F)ccc1Br 217780635 XZELDIRSYFTHKU-UHFFFAOYSA-N 224.004 2.487 0 40 BEAB C[C@H]1C[C@@H]2[C@@H](N)C[C@H](C(F)(F)F)C[C@H]2O1 225763203 DXOFCJWXXLMFIJ-VRGHQRLXSA-N 223.238 2.080 0 40 BEAB C[C@@H]1CCCc2nc3cc(C(N)=O)ccc3n21 226252003 JECWQSSEHYJVAC-MRVPVSSYSA-N 229.283 2.033 0 40 BEAB COc1ccc(NC(=O)C2CC(F)(F)C2)cn1 336168726 KJAJKWNRWUNDII-UHFFFAOYSA-N 242.225 2.074 0 40 BEAB COCc1c(Br)cnn1CC(C)C 408715762 DIKVHSSZDCTFET-UHFFFAOYSA-N 247.136 2.448 0 40 BEAB O=C(O)c1cccc(-c2ccnc3[nH]ccc23)n1 534593095 FOEDDBMZXFZWEQ-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB CC(C)Nc1ncnc2cc(C(=O)O)ccc12 1293141 UMNHFAGZVYMKHS-UHFFFAOYSA-N 231.255 2.148 0 40 BEAB Clc1ccc2nncc(N3CC3)c2c1 1693207 PUTIBBVJQNNKFK-UHFFFAOYSA-N 205.648 2.103 0 40 BEAB CCOC(=O)C(=CC(C)(C)C)C(=O)OCC 1697011 WBXLTCRTGYJWFQ-UHFFFAOYSA-N 228.288 2.085 0 40 BEAB Cc1cccc([C@](O)(C(=O)O)c2ccccc2)c1 1710966 KMTWMSGNLPWRGV-HNNXBMFYSA-N 242.274 2.316 0 40 BEAB C[C@@]12CC[C@@H](CC1=O)[C@@]2(C)CSCCO 4228058 CLVRHDSFNQCSKV-MVWJERBFSA-N 228.357 2.107 0 40 BEAB Cc1ccc([C@@H](O)CCC(=O)O)c(C)c1 4993476 FKPRMHFIKWTZCB-NSHDSACASA-N 208.257 2.202 0 40 BEAB Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 5755550 MGUKYJNVUXCTSZ-NSHDSACASA-N 205.257 2.113 0 40 BEAB CCc1nccn1C(=S)NCc1ccccc1 6160407 HZRCAWSKBFYWOR-UHFFFAOYSA-N 245.351 2.368 0 40 BEAB CCc1ccc(-c2noc(CCC(=O)O)n2)cc1 8754338 QGHDNBWYVLXRNV-UHFFFAOYSA-N 246.266 2.316 0 40 BEAB COCc1nc2ccccc2c(C)c1C(=O)O 12505261 NKOZFTCNUWSLCQ-UHFFFAOYSA-N 231.251 2.388 0 40 BEAB in-vitro C[C@H](CNC(=O)c1cnccn1)c1ccccc1 12931379 UMELTQPCLVEGAE-LLVKDONJSA-N 241.294 2.010 0 40 BEAB C[C@H]1CN(C)[C@H](C)C[C@@]1(O)Cc1ccccc1 13118310 YSGPBYGQFUGPJJ-GZBFAFLISA-N 233.355 2.320 0 40 BEAB COC[C@H](C)OC(=O)c1ccc(Cl)cc1N 20156093 PRQBDTPTBJYOAZ-ZETCQYMHSA-N 243.690 2.114 0 40 BEAB CNCc1sccc1Br 20357696 OEVHWQOUNJJLEZ-UHFFFAOYSA-N 206.108 2.230 0 40 BEAB in-vitro NNc1nnc(-c2ccc(Cl)cc2)s1 27990573 ZMWACMXYZYHWDA-UHFFFAOYSA-N 226.692 2.144 0 40 BEAB C[C@@H](NC(=O)c1ccoc1)c1ccccn1 28783612 GGWHDDIWSOQNPD-SECBINFHSA-N 216.240 2.166 0 40 BEAB O=C(O)CCc1csc(-c2ccco2)n1 32014402 CFCVUYLAQZDFCV-UHFFFAOYSA-N 223.253 2.420 0 40 BEAB O=C1CCc2cc(NC3CCOCC3)ccc2N1 37123706 HBVPCUVRIGWZOZ-UHFFFAOYSA-N 246.310 2.162 0 40 BEAB in-vitro Nc1ccccc1-c1nc2ncccc2o1 38221218 MTNVHWFTXUNFMQ-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CCOC(=O)C(Br)=C(C)C 38875556 QXBRKARECIOFMU-UHFFFAOYSA-N 207.067 2.238 0 40 BEAB COC(=O)/C=C(\C)COCc1ccccc1 38952824 QHMCFYFWVUBHQT-DHZHZOJOSA-N 220.268 2.323 0 40 BEAB in-vitro NCc1cccc(-c2cccc(CN)c2)c1 39075798 RNQCFCOVAKDSAW-UHFFFAOYSA-N 212.296 2.271 0 40 BEAB Cc1nc(Cc2cccc(F)c2)ncc1C(=O)O 43557961 LMCSUMXOUKOGKS-UHFFFAOYSA-N 246.241 2.213 0 40 BEAB Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)s1 45445921 SPAMNDUEOYVIAW-RKDXNWHRSA-N 239.340 2.306 0 40 BEAB CCC(=O)NCc1ccccc1CN1CCCC1 52399627 MQGZHBDTJKJONS-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB Cc1noc([C@H](C)N(C)Cc2ccc(C)o2)n1 65622682 GPHQDZIEMWEGSS-VIFPVBQESA-N 235.287 2.472 0 40 BEAB Cc1cccc(S[C@H]2CCN(C)C2=O)c1 70040135 BQAKUSAVUGZTGA-NSHDSACASA-N 221.325 2.318 0 40 BEAB CCOC(=O)C[C@H](C(C)C)N1CCCCC1 70824309 OGBNOQILFZFLAS-GFCCVEGCSA-N 227.348 2.450 0 40 BEAB OCc1c(F)c(F)c(Cl)c(F)c1F 71614739 HMYXKHZCEYROAL-UHFFFAOYSA-N 214.545 2.389 0 40 BEAB c1cnc(NC2CCC2)c([C@H]2CCCN2)c1 72213881 RIUKDRKFJDMNEM-GFCCVEGCSA-N 217.316 2.471 0 40 BEAB CCS[C@H]1CC[C@H](N(C)CCOC)C1 76068123 QZPJMAAVNYMIHR-QWRGUYRKSA-N 217.378 2.239 0 40 BEAB CC(C)Cn1nc(C(F)(F)F)cc1C(=O)O 77605410 TYZZMASKLUMDJW-UHFFFAOYSA-N 236.193 2.256 0 40 BEAB CC[C@H]1CCCCN1CC(=O)N1CCCCC1 78821784 TWHZIGZKOUPMKW-ZDUSSCGKSA-N 238.375 2.263 0 40 BEAB Nc1ccc2nc(-c3ccccc3F)nn2c1 82749522 OVQDXLXLHVMGQE-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB C[C@@H]1CCC[C@H](OCC(=O)N2CCCC2)C1 84689632 NVTZYABFJBSWBE-NEPJUHHUSA-N 225.332 2.204 0 40 BEAB O[C@H]1C[C@@H](C(F)(F)F)Cc2occc21 85399124 FTZPTZPDPBNTEC-VDTYLAMSSA-N 206.163 2.438 0 40 BEAB CCCC[S@](=O)Cc1nc(C(C)(C)C)no1 86967016 KFLHMFGOAATJDS-MRXNPFEDSA-N 244.360 2.416 0 40 BEAB O=C(c1n[nH]c2ccccc12)C(F)(F)F 89195937 IRCNPFFWKHKQEU-UHFFFAOYSA-N 214.146 2.308 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2c(C)cccc12 89204090 FARWWHNLSILMGM-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB Ic1cc2cc[nH]c2cn1 89213128 VGNBLZFSJLZCNH-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB NC(=O)c1ccc(OC2CCCCC2)cc1 89781030 WYDLODRNDZRGQS-UHFFFAOYSA-N 219.284 2.497 0 40 BEAB CC(C)(C)OC(=O)c1cnc(Cl)c(O)c1 90624541 VPSMSWLXFYYEAB-UHFFFAOYSA-N 229.663 2.396 0 40 BEAB Cc1nc2ncnn2c(N[C@@H]2C=CCCC2)c1C 95411593 XDHLKEUSWISJOV-LLVKDONJSA-N 243.314 2.262 0 40 BEAB CC(=O)Nc1ccc(NCCCO)c(Cl)c1 95411984 NGPULNJVIRYYTD-UHFFFAOYSA-N 242.706 2.093 0 40 BEAB CSc1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1 95420679 OLUAPXMDZUUGQE-QWHCGFSZSA-N 249.379 2.435 0 40 BEAB CCOC(=O)c1cc2cc(O)ccc2o1 95626838 ZVEDQKMQNVPHKU-UHFFFAOYSA-N 206.197 2.315 0 40 BEAB COc1ccc([C@@H](O)c2cccn2C)cc1 95727865 VQAACIDZSCXVLQ-CYBMUJFWSA-N 217.268 2.115 0 40 BEAB Clc1cc(CN2CCOCC2)cc(Cl)n1 95836941 PZLJWQHRXONLCD-UHFFFAOYSA-N 247.125 2.221 0 40 BEAB CC(C)(C)OC(=O)NCc1cc(C(=O)O)co1 95944516 YVYPMRKEKXLHID-UHFFFAOYSA-N 241.243 2.003 0 40 BEAB Cc1cccc(N(C)C(=O)CC[C@@H]2CCCO2)n1 96411583 WMHYTOSDXBMXRD-LBPRGKRZSA-N 248.326 2.312 0 40 BEAB CO[C@H](C)c1nc(N)cc(C2CCC2)n1 96529217 AMORKYPMSRMCFY-SSDOTTSWSA-N 207.277 2.034 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](CO)CC1CCCC1 98209896 ZLEBLWDLKHDYEW-LLVKDONJSA-N 243.347 2.452 0 40 BEAB in-vitro CN[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 100178489 UXCMOYRSKKQIHL-PHIMTYICSA-N 242.363 2.384 0 40 BEAB COc1cccc(CN[C@H]2CC[C@H](N)CC2)c1 100809511 NCUQHZVETOQAHV-BETUJISGSA-N 234.343 2.055 0 40 BEAB CS[C@@H]1CCN(C(=O)c2ccccc2)C1 211091576 XHYXVKWIMCGBFI-LLVKDONJSA-N 221.325 2.264 0 40 BEAB COC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225357408 QCLHXUALVQXTBM-UHFFFAOYSA-N 236.267 2.271 0 40 BEAB CC(C)Cc1ccc(CNC[C@H]2CCCO2)[nH]1 226019917 VVMIXLJKIGWEKT-CQSZACIVSA-N 236.359 2.482 0 40 BEAB FCCn1cc(CNCCc2ccccc2)cn1 256054955 YMCDGQXWQQBIGJ-UHFFFAOYSA-N 247.317 2.185 0 40 BEAB N#Cc1c(F)cccc1C(=O)C(F)(F)F 389416324 VAVQVZFVEPGYTP-UHFFFAOYSA-N 217.121 2.442 0 40 BEAB CCOC(=O)[C@@H](CCN(C)C)Cc1ccccc1 504300637 LVGYZCJPDTZCNY-AWEZNQCLSA-N 249.354 2.360 0 40 BEAB in-vitro Cc1cc(C(=O)NCc2ccco2)c(C)o1 110385 HNBXLRWAWKCEKU-UHFFFAOYSA-N 219.240 2.419 0 40 BEAB Cc1nnc(SCC(=O)c2ccccc2)n1C 421372 RBXLTMRKKHJSSQ-UHFFFAOYSA-N 247.323 2.099 0 40 BEAB Cn1c(-c2cccc(Cl)c2)cnc1N 873774 ZCDSSCVXZVNIOX-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB Cc1ccc(NC(=O)C(F)(F)F)cc1 1562075 UTLLHJULQYAUIK-UHFFFAOYSA-N 203.163 2.496 0 40 BEAB biogenic,in-vitro CCCNCC(=O)Nc1ccc2c(c1)CCC2 2647471 PJMIJHVDMGDATN-UHFFFAOYSA-N 232.327 2.113 0 40 BEAB C[C@@H](Sc1ccccc1Cl)C(N)=O 3380628 PFFRQFUJSGGJBT-ZCFIWIBFSA-N 215.705 2.306 0 40 BEAB COc1ccc(-c2cc(C(=O)N(C)C)on2)cc1 4060130 YKVVZNOGWHFQCD-UHFFFAOYSA-N 246.266 2.052 0 40 BEAB C[C@H](CC(=O)O)CC(=O)N[C@H](C)c1ccccc1 4690887 IFZUSRLWTZPENL-WDEREUQCSA-N 249.310 2.365 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)c1nnc(S)nc12 5727879 UJACBIJGKMHVFB-KBUNVGBDSA-N 221.329 2.335 0 40 BEAB CC(C)CNC(=O)c1cc(=O)c2ccccc2o1 6838390 XRRWVJQGLQLDKL-UHFFFAOYSA-N 245.278 2.179 0 40 BEAB Cc1cc(OCC(=O)Nc2ccccc2C)no1 8428148 BCIHOPMBJTWXKC-UHFFFAOYSA-N 246.266 2.309 0 40 BEAB CC(C)NC(=O)[C@@H]1Cc2ccccc2S1 12865272 NLKVEGNEEKPXKH-NSHDSACASA-N 221.325 2.228 0 40 BEAB Cn1ccs/c1=N\C(=O)Nc1ccccc1 17823454 KWALDNQIQIFHQI-QBFSEMIESA-N 233.296 2.219 0 40 BEAB O=C(O)CSCc1cccc(F)c1 19687383 WRNKBSNOLIRPRZ-UHFFFAOYSA-N 200.234 2.144 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=O)CC1CCNCC1 19802637 XDSSDQSDZIGONV-RYUDHWBXSA-N 238.375 2.166 0 40 BEAB CCc1c(C(=O)O)cnn1Cc1ccccc1 19999459 OGSXKBZCTOTDTQ-UHFFFAOYSA-N 230.267 2.192 0 40 BEAB in-vitro Cc1nc2nccnc2c(C)c1Br 26460196 BGOHDTIDURKILU-UHFFFAOYSA-N 238.088 2.404 0 40 BEAB COc1ccc(C(=O)N[C@@H](C)C2CC2)c(OC)c1 32748161 ZPVWUISXFOZQAM-VIFPVBQESA-N 249.310 2.232 0 40 BEAB CC(C)(C)N(F)S(=O)(=O)c1ccccc1 34101903 VBTSXMJBVCCMQI-UHFFFAOYSA-N 231.292 2.360 0 40 BEAB CC(C)=C(F)CNc1ncnc2[nH]cnc12 38952935 NSOOGLVTGLRNKL-UHFFFAOYSA-N 221.239 2.028 0 40 BEAB COc1ccc(COC[C@H]2CCCNC2)cc1 43471914 QDDJQQCJZGEUPY-ZDUSSCGKSA-N 235.327 2.211 0 40 BEAB Cc1csc(SC[C@@H]2CCCN2)n1 43497193 FUEDGMBKHZMNTD-QMMMGPOBSA-N 214.359 2.296 0 40 BEAB CCCCCNC(=O)Nc1cccc(C(N)=O)c1 43717193 YPFQKQYDUNBPSU-UHFFFAOYSA-N 249.314 2.097 0 40 BEAB Cc1ccc(Sc2nccnc2NN)cc1 45918594 DGWBEZODLXVRNN-UHFFFAOYSA-N 232.312 2.222 0 40 BEAB Cc1ccc2nnc(C(=O)NCC3CC3)cc2c1 46087916 XJGREVUBLXHIDG-UHFFFAOYSA-N 241.294 2.078 0 40 BEAB O=C1OC2(CCCC2)[C@@H](C(=O)O)c2ccccc21 62702397 WIVDZWMYBLVILF-LLVKDONJSA-N 246.262 2.338 0 40 BEAB O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc[nH]1 67333814 LANFVERRUQCIJX-YPMHNXCESA-N 244.269 2.440 0 40 BEAB CC(C)c1ccc([C@H]2CNC[C@H]2C(=O)O)cc1 69272495 STLUYUGBFMPPSI-CHWSQXEVSA-N 233.311 2.198 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCc2ccccn2)c1 69899407 DKKVRUQSHZZPOY-QWHCGFSZSA-N 244.342 2.326 0 40 BEAB C[C@@H](C1CC1)N(C)CC(=O)N1CCCCCC1 71836710 UUVRIJBBUAPFMH-LBPRGKRZSA-N 238.375 2.119 0 40 BEAB CCc1ccsc1C(=O)O[C@H]1CCOC1 71883869 SNDMKCKKKZSZHN-VIFPVBQESA-N 226.297 2.256 0 40 BEAB Cc1cccc(N(C)C(=O)COC2CCCC2)n1 71911360 WGWBXFGINWXVAV-UHFFFAOYSA-N 248.326 2.312 0 40 BEAB CCCc1cc(C(=O)Nc2cc(C)ccn2)[nH]n1 72010644 PASSTXQJZAVZAC-UHFFFAOYSA-N 244.298 2.318 0 40 BEAB Cc1noc([C@H]2CCCN2Cc2ccccn2)n1 72357082 NAXWJMOYFRMAEZ-GFCCVEGCSA-N 244.298 2.110 0 40 BEAB COC[C@H](C)NC(=O)c1ccc(C)cc1C 78631625 SYUAYWUREDPRMM-NSHDSACASA-N 221.300 2.068 0 40 BEAB Cc1ccc(C(=O)CC2OCCO2)cc1C 85652260 GAWXVPOXSQCBLB-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC1 89927768 MKYQDKMNUFRQNX-NEPJUHHUSA-N 225.332 2.204 0 40 BEAB CONC(=O)Nc1cc(-n2cccc2)ccc1F 95959536 UPMPKAKFHFWBDG-UHFFFAOYSA-N 249.245 2.299 0 40 BEAB COC(=O)c1cc(Cl)nc(C2CCC2)n1 96524159 DCSJNAGUSYOXPY-UHFFFAOYSA-N 226.663 2.184 0 40 BEAB O=c1cc(-c2ccc(F)cc2)nc(C2CC2)[nH]1 96530948 YHMSAAQQUSPZCE-UHFFFAOYSA-N 230.242 2.453 0 40 BEAB Cc1ccc(CN2CCN(C)C[C@@H]2C(C)C)nc1 97139281 FWUYIUQAUQXISY-OAHLLOKOSA-N 247.386 2.162 0 40 BEAB ClC1=NC(Cl)=C2CSCC[C@H]2N1 97757514 SBPWQYVMNGUBKY-RXMQYKEDSA-N 223.128 2.140 0 40 BEAB COc1c(C)cc(Br)cc1CN 98211545 VRIJPQBIWSVLNH-UHFFFAOYSA-N 230.105 2.225 0 40 BEAB O=C1[C@@H]2CC[C@@H]1Cc1cc(O)ccc1C2 100433343 JZHXIHHXODNANH-NXEZZACHSA-N 202.253 2.086 0 40 BEAB Cc1nc2nc(C)c(CCC(C)C)c(O)n2n1 100694893 YLIOBMSJXDCELY-UHFFFAOYSA-N 234.303 2.035 0 40 BEAB COc1ccc(/C(N)=C/C2=NC(C)(C)CO2)cc1 101628171 KQTJTSLSHXQWBS-WQLSENKSSA-N 246.310 2.202 0 40 BEAB CC(C)N1C[C@H]2CC[C@H]1[C@H]2Oc1ccccn1 107266173 KUNLZLVLSFDXPC-DYEKYZERSA-N 232.327 2.332 0 40 BEAB COC(OC)c1cc(Br)ccc1O 116394320 OINMRKJUOIUJEF-UHFFFAOYSA-N 247.088 2.446 0 40 BEAB C[C@@H](O)c1cn(Cc2cccc(Cl)c2)nn1 163467445 VKWRTWDWTSBOIV-MRVPVSSYSA-N 237.690 2.033 0 40 BEAB CC(=O)c1ccc(N)c(OC(F)F)c1 199544330 DRWSUSCMQKPQQP-UHFFFAOYSA-N 201.172 2.073 0 40 BEAB Cn1ncc(Br)c1C(F)F 215095478 MUSQUSCBZVJWSS-UHFFFAOYSA-N 211.009 2.120 0 40 BEAB C[C@](O)(CN)c1cc2ccccc2s1 217432175 NCQJTSRNYWDNCQ-NSHDSACASA-N 207.298 2.068 0 40 BEAB N[C@H]1CCCC[C@@H]1NCCc1cccs1 218857390 GTUUAWHXFFOHNE-RYUDHWBXSA-N 224.373 2.150 0 40 BEAB COCC(=O)N[C@H](C)c1ccc(C)c(C)c1 223158996 NYPZSKGFBKLNOU-LLVKDONJSA-N 221.300 2.127 0 40 BEAB CCc1cc(N)cc(Cl)c1N1CCOCC1 226315131 MHQPEWYPMJYHIL-UHFFFAOYSA-N 240.734 2.321 0 40 BEAB Cc1cnn(C)c1NCc1ccccc1 256051488 JJBLDPDRMXYPKL-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB CCOC(=O)c1nn(C(C)C)cc1Cl 261090006 XBCWAHDYHFORAB-UHFFFAOYSA-N 216.668 2.294 0 40 BEAB c1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)cc1 536948291 WBDUGCMYPUIWLB-CAOSSQGBSA-N 242.366 2.116 0 40 BEAB Cc1nc2ccccc2n1[C@H]1CC[C@@H]1O 585298978 XNCQQVKPUUFWOW-RYUDHWBXSA-N 202.257 2.041 0 40 BEAB CCOC(=O)c1c(Cl)nc(Cl)c(N)c1C 53029 XBAXWNCZIKMNBZ-UHFFFAOYSA-N 249.097 2.456 0 40 BEAB O=C1NC[C@H](COc2cccc3ccccc23)O1 207882 FORFUJZFLATLAG-LLVKDONJSA-N 243.262 2.327 0 40 BEAB O=C(NCc1ccco1)c1noc2c1CCCC2 426312 HPAJGIAAIFOYRC-UHFFFAOYSA-N 246.266 2.076 0 40 BEAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C)[C@@H]1[C@@H]2C 519846 XECHVXPHGHIOKX-IEECTRCBSA-N 210.317 2.232 0 40 BEAB COc1ccc([C@H](C)NC2CCN(C)CC2)cc1 802053 UMEYLXKJXCYVOF-LBPRGKRZSA-N 248.370 2.440 0 40 BEAB CCCCCCC(=O)CC(=O)OCC 1688197 ZQZBPLVTKYAPOF-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB Fc1cccc(CNC[C@@H]2CCCO2)c1 4498046 MDGSARSDWZUDQI-LBPRGKRZSA-N 209.264 2.094 0 40 BEAB in-vitro CC[C@]1(c2ccccc2)C[C@@H](C)C(=O)NC1=O 5468363 ZXNKZQSZQMLQKI-QMTHXVAHSA-N 231.295 2.017 0 40 BEAB CCCNC(=S)NC[C@H]1C[C@H]2CC[C@@H]1C2 5793407 NFUAHOFRICDJBM-HBNTYKKESA-N 226.389 2.297 0 40 BEAB CCO/C=C1/N=C(c2ccc(F)cc2)OC1=O 8227416 QPFMVKFJCPVERI-JXMROGBWSA-N 235.214 2.007 0 40 BEAB CN1CCC[C@@H](CNCc2cccs2)C1 16124128 KIDUZWFJBRQQDB-NSHDSACASA-N 224.373 2.180 0 40 BEAB in-vitro COc1cnc(C(F)(F)F)nc1Cl 16698762 AFHSLKLRYUXPOA-UHFFFAOYSA-N 212.558 2.157 0 40 BEAB CCN(CCC(=O)O)c1cccc(F)c1 20133818 TUHZLLSTYIHETM-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB CC(C)(C)NC(=O)c1ccc(Cl)cc1N 20156121 RSGZYLJGRBOAOZ-UHFFFAOYSA-N 226.707 2.451 0 40 BEAB Nc1ccc(-c2nc3cnccc3o2)c(O)c1 20158685 FKAPVCZPWYBUSY-UHFFFAOYSA-N 227.223 2.178 0 40 BEAB Nc1nc2ccccc2n1CCc1ccccn1 20586082 ZEXYMKQDIPKRIA-UHFFFAOYSA-N 238.294 2.256 0 40 BEAB in-vitro COc1ccc(C2(C(=O)O)CCC2)cc1OC 21952032 DRZBWKSCHXEQIO-UHFFFAOYSA-N 236.267 2.210 0 40 BEAB in-vitro O=c1ccc(-c2cccc(Cl)c2)n[nH]1 26420367 YRWWFLYKKZTALE-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB COCc1noc(N)c1-c1cccc(F)c1 26512594 NYUNIKLHMFGNFX-UHFFFAOYSA-N 222.219 2.209 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 29402411 PWMHCCVSNRLGBC-LLVKDONJSA-N 243.310 2.401 0 40 BEAB O=C(NCc1cc(F)cc(F)c1)c1ccccn1 30163365 GJUXTOMLQCYIGX-UHFFFAOYSA-N 248.232 2.290 0 40 BEAB COC(=O)Cc1c(C)n(C)c2ccc(OC)cc12 32265039 FNMRUTQXRKVFKU-UHFFFAOYSA-N 247.294 2.211 0 40 BEAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)C)c1 32797139 KNOVONBBQFIFBS-LLVKDONJSA-N 220.316 2.192 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)NC1CC1 32843675 YPWSYYFLXAFOSZ-VIFPVBQESA-N 216.284 2.310 0 40 BEAB CCONC(=O)c1ccccc1Br 32848240 QQWSFHRIHUHIFF-UHFFFAOYSA-N 244.088 2.130 0 40 BEAB O=C(O)c1cc(N2CCCCCC2)ccn1 36896345 RIPLRWDBSPOPGL-UHFFFAOYSA-N 220.272 2.160 0 40 BEAB CCCCCOc1ccnc(C(=O)O)c1 37114034 AUGXRNNUHJHXAN-UHFFFAOYSA-N 209.245 2.349 0 40 BEAB CC(C)(C)NC(=O)c1cnc2ccccc2n1 40462342 AZHZRMJDVJFWGT-UHFFFAOYSA-N 229.283 2.158 0 40 BEAB O=C(NC1(c2ccccc2)CC1)C1CC1 41571190 RCRRVKQUJANEAK-UHFFFAOYSA-N 201.269 2.202 0 40 BEAB COC(=O)Cc1ccc2cc(O)ccc2c1 44699623 GCWXJAKNVXRMMS-UHFFFAOYSA-N 216.236 2.261 0 40 BEAB in-vitro CC[C@H](CO)NC(=O)NC1CCCCCCC1 47601371 CUDSZCBRMSHWJP-LLVKDONJSA-N 242.363 2.169 0 40 BEAB COc1cc2nc(C)cc(N)c2cc1OC 50870076 QDKFZHPCBZJSQK-UHFFFAOYSA-N 218.256 2.143 0 40 BEAB N[C@H](CC1CCCCC1)c1ncccn1 53820497 QMDNROCGZJLYHP-LLVKDONJSA-N 205.305 2.447 0 40 BEAB in-vitro CC[C@@H](C)C(=O)NCc1ccccc1F 55292566 IWQITZCUTMOZSZ-SECBINFHSA-N 209.264 2.488 0 40 BEAB Cc1ccc(Cl)cc1C[C@H](C(=O)O)N(C)C 57533803 FHPYLBXGZZDKSQ-LLVKDONJSA-N 241.718 2.206 0 40 BEAB CN(C)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 57881288 OMJRNDKPIQLFGT-ZDUSSCGKSA-N 247.342 2.245 0 40 BEAB CCc1ccc2c(c1)c(=O)ccn2[C@@H](C)C(=O)O 62719749 SLOKIACGOOCSJC-VIFPVBQESA-N 245.278 2.210 0 40 BEAB C[C@H]1CNCCN1Cc1ccc(F)c(Cl)c1 67800294 YAAQPLCLWDUYON-VIFPVBQESA-N 242.725 2.273 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)[C@@H]1CCCNC1 72208312 RVDWLXJKVABGBV-OLZOCXBDSA-N 233.311 2.245 0 40 BEAB CNc1ccc([C@H]2CCCN2C)c(C)n1 72219086 FNBBUAFVDRBJTA-LLVKDONJSA-N 205.305 2.198 0 40 BEAB c1cc([C@H]2CN(C3CCCCC3)CCO2)ncn1 72381191 OIUOZLVJQDFCHT-CQSZACIVSA-N 247.342 2.183 0 40 BEAB COc1cccc(-n2nnc3ccccc32)c1 73740179 DDPYCTAAHODXHT-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB CCc1cc2c(N[C@H](C)CO)ncnc2s1 75136736 JNCZDNXLXATLCV-SSDOTTSWSA-N 237.328 2.046 0 40 BEAB c1ccc(CN2CCCC[C@]23CCNC3)cc1 82346510 CTORQCPIHLPTDH-OAHLLOKOSA-N 230.355 2.405 0 40 BEAB Cc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1 95534160 NVGQFMUAZVVRDI-NSHDSACASA-N 244.342 2.459 0 40 BEAB Cc1n[nH]c(C)c1Cc1cccc(N)c1 96113703 ZWUAEBJIQVCSOO-UHFFFAOYSA-N 201.273 2.200 0 40 BEAB NC(=O)CCCCSc1cccs1 96409140 YTHLWWMQAUUNQA-UHFFFAOYSA-N 215.343 2.496 0 40 BEAB C[C@@H](O)CN(Cc1ccccn1)c1ccccc1 96424174 YXKZUWCSNNFCOH-CYBMUJFWSA-N 242.322 2.469 0 40 BEAB O=C(Nc1n[nH]c(C2CCC2)n1)c1ccsc1 97136333 WFWCPZPLJVYAFB-UHFFFAOYSA-N 248.311 2.386 0 40 BEAB CC/C=C(\C)C(=O)Nc1cnn(CC)c1 102941946 AYSOSXGESHIFAX-RMKNXTFCSA-N 207.277 2.198 0 40 BEAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)O 106881229 MFOXKHBPVWPFKJ-QMMMGPOBSA-N 203.241 2.040 0 40 BEAB Cc1nccn1CCCNC[C@H]1C[C@H]2C=C[C@@H]1C2 195537167 BKLYYGDFUQLEKM-RRFJBIMHSA-N 245.370 2.383 0 40 BEAB CCOC(=O)[C@H]1CNc2ccc(Cl)cc2C1 217524312 WNLMQSWJHAJYKP-SECBINFHSA-N 239.702 2.487 0 40 BEAB O=C(O)c1cc(Br)c(Cl)cn1 217982416 GBIALOPPJTYRIY-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccn1 252570829 XILYHENRCOTOGI-DMDPSCGWSA-N 248.326 2.074 0 40 BEAB Fc1cnc(N2CCC(=C3CC3)CC2)nc1 253396440 DTZROGRKUVNMSZ-UHFFFAOYSA-N 219.263 2.306 0 40 BEAB CCCCNCc1ccn(C(F)F)n1 256051888 KXONCTPSLWUYAU-UHFFFAOYSA-N 203.236 2.168 0 40 BEAB Cc1cnn(C)c1CNCc1ccc(F)cc1 256052376 NBOQNABISOUCQY-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB FC(F)c1csc(Cn2cccn2)n1 335036806 SOKZNSOYROURCQ-UHFFFAOYSA-N 215.228 2.326 0 40 BEAB Cn1cnc(-c2ccccc2OC(F)(F)F)n1 2362801935 ZSLBPFRMNFIKOU-UHFFFAOYSA-N 243.188 2.381 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@H]1CCCO1 804565 VEXODVAYMNODGK-LLVKDONJSA-N 219.284 2.421 0 40 BEAB Cc1ccccc1C(=O)OC[C@H]1CCCO1 1670472 KKOQOJGDHYPFCK-LLVKDONJSA-N 220.268 2.331 0 40 BEAB CCCCOCCOC(=O)C1(O)CCCCC1 1692369 MFAHPLOGYBDMIF-UHFFFAOYSA-N 244.331 2.042 0 40 BEAB C/C=C(/c1ccccc1)N1CCOCC1 1737782 HTJIRDFVGHHLMZ-SILLCRNTSA-N 203.285 2.380 0 40 BEAB CC(C)CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 4216844 JGQDLHJNVVLPJJ-AXFHLTTASA-N 226.389 2.295 0 40 BEAB Cn1ccnc1SCC(=O)C(C)(C)C 7344142 ATSGAQUOMUPTML-UHFFFAOYSA-N 212.318 2.127 0 40 BEAB O=c1[nH]c2c(c3c1CCCC3)CCCC2 8582901 PIRYUTURFGWSAC-UHFFFAOYSA-N 203.285 2.133 0 40 BEAB CCCn1nc(C)c2c(C(F)F)cc(=O)[nH]c21 12396357 TUEULQYVUYCYRQ-UHFFFAOYSA-N 241.241 2.381 0 40 BEAB CC(C)=CCSc1ncnc2nc[nH]c12 13284855 BSUUFNRTDLFAEB-UHFFFAOYSA-N 220.301 2.411 0 40 BEAB CCCN1CCN(C(=O)Nc2ccccc2)CC1 13323054 PXJGAKBQHSTAEB-UHFFFAOYSA-N 247.342 2.246 0 40 BEAB CC(C)c1ccc(Nc2nncc(O)n2)cc1 16806910 SDSMVKKWTXQFJF-UHFFFAOYSA-N 230.271 2.444 0 40 BEAB Cc1ccc(CN[C@@H]2CN3CCC2CC3)cc1 19946088 OIYGXGBFINQGKQ-OAHLLOKOSA-N 230.355 2.179 0 40 BEAB in-vitro O=C(O)CSc1ncc(-c2ccccc2)[nH]1 19974405 YIIGEFKVQRDEMU-UHFFFAOYSA-N 234.280 2.253 0 40 BEAB CCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 20030076 RUSJYUIFRXJVKS-QMMMGPOBSA-N 247.747 2.340 0 40 BEAB CCN(CCC(=O)O)c1ccccc1F 20133815 ZGBMOROUMDVYBF-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB Cc1cc(COC(=O)c2ccc(C)c(O)c2)on1 32850515 JGRKTWMSMCXWLD-UHFFFAOYSA-N 247.250 2.354 0 40 BEAB c1ccc2c(c1)CCCN2[C@H]1CCCNC1 37246768 HMWULAZTFKYULC-ZDUSSCGKSA-N 216.328 2.191 0 40 BEAB COC(=O)CSc1cc(F)ccc1F 37374898 WRJMYQMDNABLFW-UHFFFAOYSA-N 218.224 2.230 0 40 BEAB OC[C@@H](c1cccs1)N1CCCCC1 41225795 LTTIPDXODVYECM-JTQLQIEISA-N 211.330 2.267 0 40 BEAB CSc1nc(C)c(C)n1C[C@@H]1CCCO1 44868396 VUQAYAQZQKTDIJ-JTQLQIEISA-N 226.345 2.401 0 40 BEAB NCc1ccc(OCC2CCOCC2)c(F)c1 52145869 RJFGPVIDLGRIQM-UHFFFAOYSA-N 239.290 2.090 0 40 BEAB CC(C)C(=O)N[C@@H](C)CCc1ccco1 52841422 GNHLDXWNNHQEJB-JTQLQIEISA-N 209.289 2.373 0 40 BEAB CC(C)NC(=O)C[C@@H](CC(=O)O)c1ccccc1 57537680 YBIIGQFNFKEDAM-LBPRGKRZSA-N 249.310 2.160 0 40 BEAB NCC1(Cc2ccc(F)cc2)CCOCC1 61673943 RJUXTKJJCSINGT-UHFFFAOYSA-N 223.291 2.124 0 40 BEAB FC(F)(F)c1ccc2c(c1)[C@@]1(CCNC1)CO2 66346316 YIFAPNRTOBLZIM-LLVKDONJSA-N 243.228 2.329 0 40 BEAB COc1ccc(Br)c2c1CNCC2 70207498 CVDMJMDZJNZACR-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB COCCOc1ccc(CN)cc1C(F)(F)F 71398418 XFYOHPKXWTYDNS-UHFFFAOYSA-N 249.232 2.189 0 40 BEAB Cc1cc(O)ncc1[C@@H](N)c1ccccc1 72223768 NZALABKEVQOPQX-ZDUSSCGKSA-N 214.268 2.144 0 40 BEAB C[C@H]1CSCCN1C(=O)Nc1ccncc1 72291892 SEIQEGMNJAUCTM-VIFPVBQESA-N 237.328 2.051 0 40 BEAB Cc1nc(Cc2noc(-c3ccccc3)n2)no1 75609921 QKXXQRAFMCIRHQ-UHFFFAOYSA-N 242.238 2.019 0 40 BEAB CO[C@@H](C)CCOC(=O)c1cc(C(C)C)[nH]n1 76091096 FZOWHLRDZLUIKF-VIFPVBQESA-N 240.303 2.115 0 40 BEAB CN(Cc1cccnc1)C(=O)OCC(F)(F)F 79646080 VVJJUDBYIKMCPW-UHFFFAOYSA-N 248.204 2.212 0 40 BEAB CC(C)(C)Cc1noc([C@H]2CCCCN2)n1 82673407 LMRSCXBSWYTJPQ-SECBINFHSA-N 223.320 2.473 0 40 BEAB COCC(=O)c1cccc(Cl)c1F 86521698 DOMZZFNOVODRSV-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB in-vitro O=C(O)c1cccc(C(=O)N[C@H]2CC=CCC2)c1 88749718 ZZSXDMIMZRXTCV-LBPRGKRZSA-N 245.278 2.223 0 40 BEAB Cc1ccc([C@@H]2NC(=O)c3cccnc3N2)s1 89656490 KYXMCJMXGQLMJW-NSHDSACASA-N 245.307 2.306 0 40 BEAB CC(C)NCCc1c[nH]c2ncccc12 95097500 GUKOGKFGADCGCF-UHFFFAOYSA-N 203.289 2.103 0 40 BEAB CCOC(COc1ccccc1C=O)OCC 95883658 AVFQNQCCLWGODA-UHFFFAOYSA-N 238.283 2.277 0 40 BEAB C[C@H](CO)SCc1noc2c1CCCC2 96430341 ROSITPFIOWIQCW-MRVPVSSYSA-N 227.329 2.167 0 40 BEAB O=C(Nc1ccc(Cl)cc1O)c1ccon1 96484147 OSYCUUZUJLQRSD-UHFFFAOYSA-N 238.630 2.286 0 40 BEAB CCOCCOc1ccc(C(C)(C)O)cc1 97082655 SCHOXMNAIJOQPN-UHFFFAOYSA-N 224.300 2.329 0 40 BEAB c1ccc2c(c1)CCCCN2CCn1cncn1 98018772 DQXRSNMRWPMDPY-UHFFFAOYSA-N 242.326 2.121 0 40 BEAB COCCOC[C@@H]1CCN([C@@H]2C=CCCC2)C1 195531525 PLRZOMPXTVHEEP-ZIAGYGMSSA-N 239.359 2.080 0 40 BEAB CCC[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 217847618 KFYLHJUNGYIXAL-ZJUUUORDSA-N 229.320 2.157 0 40 BEAB Cc1ncc(C(=O)Nc2ccc(F)cc2)cn1 222588310 XLMSLNXRTJACSU-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB C[C@@]12CC[C@@H]3C[C@]1(C(=O)O)SC[C@]32C 252487267 HTQRBUCFSKYDRN-CZULRBLNSA-N 212.314 2.383 0 40 BEAB CCn1nccc1CNCc1ccc(F)s1 256052008 LMYUJAMPJINUCN-UHFFFAOYSA-N 239.319 2.393 0 40 BEAB Cc1ccc(C(=O)NCC2CC(F)(F)C2)o1 298235475 IBPCSUZWPWCAQB-UHFFFAOYSA-N 229.226 2.363 0 40 BEAB O[C@H]1CC=C[C]1COCc1ccccc1 1560411600 IAEXPFARNOMZKS-ZDUSSCGKSA-N 203.261 2.098 0 40 BEAB COC(=O)[C@@H](CC(C)=O)c1c[nH]c2ccccc12 50872 KNAGWGRXAMMVKN-NSHDSACASA-N 245.278 2.404 0 40 BEAB biogenic CCOC(=O)c1nc(-c2cccc(C)c2)no1 115348 BZZGATYLQYGZTF-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB Cn1nc(-c2ccccc2Cl)cc1C(=O)O 324105 VEYJAUIZTGGPIP-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB in-vitro Cc1cc(O)cc(O)c1C(=O)Cc1cscn1 407257 SXBIXBCMSIGHAW-UHFFFAOYSA-N 249.291 2.288 0 40 BEAB N=C(N)c1cc(F)cc(C(F)(F)F)c1 1443051 KBOARSXQHJAXEE-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB Cn1nc(CSc2ccccc2)cc1O 3105781 MTWHAGPGVFKCQH-UHFFFAOYSA-N 220.297 2.418 0 40 BEAB CC1=N/C(=C\c2cccc(F)c2)C(=O)O1 5296570 HMKQATJQXAJREQ-POHAHGRESA-N 205.188 2.142 0 40 BEAB CCCCCC(=O)Nc1ccccc1C(N)=O 5459942 SEVYPVXSRGQBJL-UHFFFAOYSA-N 234.299 2.304 0 40 BEAB C[C@H]1CCC[C@@H](C)N1NC(=O)C(C)(C)C 12402916 PAGXYRNLMYESJF-AOOOYVTPSA-N 212.337 2.327 0 40 BEAB CC[C@H](C)NC(=O)c1ccc2[nH]cnc2c1 12544451 AATFLHCALQSJFA-QMMMGPOBSA-N 217.272 2.091 0 40 BEAB CCNC(=O)CCc1c[nH]c2ccccc12 12910342 USRNRKFLZZQHJM-UHFFFAOYSA-N 216.284 2.237 0 40 BEAB CCNC(=S)Nc1ccc(C)cc1O 16958048 XPPUOZZIVINYLM-UHFFFAOYSA-N 210.302 2.007 0 40 BEAB COC[C@H](N)c1cccc(C(F)(F)F)c1 23066179 BJJLLHRPTHUESQ-VIFPVBQESA-N 219.206 2.352 0 40 BEAB in-vitro CCOC(=O)c1nc(-c2ccccc2)ns1 29123995 QAIYEEZCFZYANU-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB C[C@](N)(Cc1ccc2ccccc2c1)C(=O)O 34206558 KHIAMTDWCDARAE-AWEZNQCLSA-N 229.279 2.184 0 40 BEAB N[C@H](CO)C(c1ccccc1)c1ccccc1 34745013 SDDOXKGXOXANAF-CQSZACIVSA-N 227.307 2.138 0 40 BEAB Cc1n[nH]c(C)c1CNC1CCCCC1 36864465 CUPRVIDJDATUMO-UHFFFAOYSA-N 207.321 2.449 0 40 BEAB CCCC[C@@H](C)NCc1nnc2ccccn12 37235833 FYSFHDASWNSUHY-LLVKDONJSA-N 232.331 2.398 0 40 BEAB Cc1ccc(CN[C@@H]2CCCCNC2=O)cc1C 37282786 WGAKSUPABODWDW-CQSZACIVSA-N 246.354 2.062 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1 40457428 SSVHQJDZKYMPPD-JOYOIKCWSA-N 221.275 2.140 0 40 BEAB NC1(c2nc(-c3ccncc3)no2)CCCCC1 41032786 DGJBHAMPMFNFPU-UHFFFAOYSA-N 244.298 2.250 0 40 BEAB Cc1noc(CN2CC[C@H]3CCCC[C@@H]3C2)n1 42354048 RGOYYICCSFIJRA-VXGBXAGGSA-N 235.331 2.390 0 40 BEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C)o1 53366155 FVJKGWIZPAXWOU-KOLCDFICSA-N 221.300 2.424 0 40 BEAB CNC[C@H]1C[C@H]1c1ccc(OC)cc1OC 54588577 FKZTUXUPAFVPSV-BXKDBHETSA-N 221.300 2.027 0 40 BEAB C[C@H](O)C(=O)Nc1ccc(C(F)(F)F)cc1 57521329 DWJSURUDGIXOLD-LURJTMIESA-N 233.189 2.025 0 40 BEAB O=C1NCC[C@H]1c1cccc(Br)c1 57533295 CLYILMPDEBXAEY-VIFPVBQESA-N 240.100 2.053 0 40 BEAB in-vitro COCc1cccc(CNC(=O)c2ccc[nH]2)c1 60589802 IAPWIYMBTMJQPU-UHFFFAOYSA-N 244.294 2.091 0 40 BEAB Cc1noc(C)c1CNC(=O)c1cccs1 61997196 LRQRYHLGTRSKTL-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Cc1nc(N)sc1Cc1cccc(C(=O)O)c1 62714042 BWAKFSAXLWCSEV-UHFFFAOYSA-N 248.307 2.323 0 40 BEAB Cc1nc(C2CCC2)sc1CC(=O)O 83120175 OVLIMIZSBAJETR-UHFFFAOYSA-N 211.286 2.346 0 40 BEAB Cc1cc(F)c2nc(C=O)ccc2c1N 85399805 DPSUAQFILOTTRY-UHFFFAOYSA-N 204.204 2.077 0 40 BEAB O=C(C1=CCCCO1)N1CCC[C@@H]1C1CCC1 89817910 HMTQSHRETIPGQC-GFCCVEGCSA-N 235.327 2.472 0 40 BEAB CC(C)c1nc([C@H]2CCCCCN2)no1 95348376 KLDPGDMWAJSWFQ-SECBINFHSA-N 209.293 2.398 0 40 BEAB in-vitro CCc1ccc(C(=O)CSCC(=O)O)cc1 95634297 OAFHUFBVMSPXGG-UHFFFAOYSA-N 238.308 2.250 0 40 BEAB CCOc1ccc(C2([C@@H](C)O)CC2)cc1 95739187 WQVRCFYUHSCWKW-SNVBAGLBSA-N 206.285 2.498 0 40 BEAB C1CCC(N2CC[C@]23CCCNC3)CC1 96050989 ZJZXNJHRYRWZSY-ZDUSSCGKSA-N 208.349 2.147 0 40 BEAB CC[C@H](C(=O)c1ccc(C)cc1)S(C)(=O)=O 96518042 CCXVCLQAXRFYEY-LLVKDONJSA-N 240.324 2.001 0 40 BEAB C[C@@H]1CCC[C@H](NC[C@]2(O)CCSC2)[C@@H]1C 97080727 IQDYRRKPLJLPHY-FVCCEPFGSA-N 243.416 2.269 0 40 BEAB c1ccc(Cc2noc([C@H]3CCOC3)n2)cc1 98010023 GZLUEWYNFTVZHG-NSHDSACASA-N 230.267 2.164 0 40 BEAB Cc1nc2ccccc2n1C[C@@H]1CCOC1 106792626 NDJIBOLMKJRMTR-NSHDSACASA-N 216.284 2.381 0 40 BEAB O[C@H](c1ccccc1)c1nccn1CCCF 154850199 ULOZCMPMDGSZSO-GFCCVEGCSA-N 234.274 2.324 0 40 BEAB NCc1ccc(Br)c2cccnc12 159285706 MFZRBRDGFUUSGO-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB CCOC(=O)c1c(N)ccc(Cl)c1F 202717159 STWFBABSCHFLDN-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB CSc1ncc2c(n1)C[C@H](C(F)F)CC2=O 217648965 OMUUHJPJNHCAHX-YFKPBYRVSA-N 244.266 2.209 0 40 BEAB Cc1cc(N[C@@H](C(=O)O)C(C)C)c(C)cc1N 223780467 QKCFMCGIJYNWIO-GFCCVEGCSA-N 236.315 2.407 0 40 BEAB O=C(Nc1cccnc1)[C@H]1C[C@H]2C=C[C@H]1C2 229028690 GWQWUOBITCOLQH-NHCYSSNCSA-N 214.268 2.232 0 40 BEAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Cl)cc1 229555970 SFOBGUYMDMJKQT-GXFFZTMASA-N 239.746 2.243 0 40 BEAB O[C@H]1CC[C@H]1NCc1cccc(C(F)(F)F)c1 585297578 GXHVWHBVWOTBLW-MNOVXSKESA-N 245.244 2.318 0 40 BEAB CC[C@@H](C1CCCCC1)N1C(=O)N[C@H](C)C1=O 679137947 VWKVZYALGXTREZ-KOLCDFICSA-N 238.331 2.286 0 40 BEAB CC[C@H](C)CN1CCCCCNC(=O)CC1 934155403 IVLDCXBIWAJOAM-LBPRGKRZSA-N 226.364 2.025 0 40 BEAB CC[C@H](c1ccccc1)c1nnc(N)o1 19398967 USVJJRSFMVOUOL-SECBINFHSA-N 203.245 2.194 0 40 BEAB NC1(c2cccc(Cl)c2)CCOCC1 11884435 BELRTRXRWJZROM-UHFFFAOYSA-N 211.692 2.304 0 40 BEAB CNc1ncnc2c1[nH]c1ccc(OC)cc12 538795 DOGKSWXTGDKGET-UHFFFAOYSA-N 228.255 2.161 0 40 BEAB CCc1cc2c(NC[C@H](C)O)ncnc2s1 549517 JSAXMECIDORRLJ-ZETCQYMHSA-N 237.328 2.046 0 40 BEAB COC(=O)c1ccc2sc(C)nc2c1 22116076 MSNFOUCVUZMALD-UHFFFAOYSA-N 207.254 2.391 0 40 BEAB O=C(NCc1ccc(Cl)cc1)NC1CC1 23622976 HENMGGYMUYORLB-UHFFFAOYSA-N 224.691 2.302 0 40 BEAB COC(=O)[C@]1(Cc2ccccc2)CCCC1=O 22010231 HWLKXULKCYKDGF-AWEZNQCLSA-N 232.279 2.142 0 40 BEAB CCN(CC)C(=O)/C=C/c1ccc2c(c1)OCO2 1670133 DEQSVZNNNQWMJW-SOFGYWHQSA-N 247.294 2.297 0 40 BEAB Cc1ccc(C(=O)N2CCCC[C@H]2CN)c(C)c1 44541209 BZTVLYHEMXCOLS-ZDUSSCGKSA-N 246.354 2.257 0 40 BEAB O=C(CNc1ccccc1)N1CCCCC1 58342054 HSBBNLFNMOOMMR-UHFFFAOYSA-N 218.300 2.111 0 40 BEAB in-vitro C[C@H](Nc1ccccc1CO)c1cc[nH]n1 37908139 OKQYLHVQCLQOQV-VIFPVBQESA-N 217.272 2.075 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 13019325 ZTPCUNRIPJRXME-MFKMUULPSA-N 242.322 2.483 0 40 BEAB CCOC(=O)N(C)c1ccc(NC(C)=O)cc1 48944826 LPVQYJBOQYGWNL-UHFFFAOYSA-N 236.271 2.238 0 40 BEAB Cc1ccc(C(=O)Cn2c(C)coc2=N)cc1 5540335 HEQZAQOKWBUEEU-UHFFFAOYSA-N 230.267 2.060 0 40 BEAB COc1c(N)cc(C)cc1Br 66141007 OSUKOSOSGWVSFO-UHFFFAOYSA-N 216.078 2.348 0 40 BEAB CCc1ccc(N2CCC(N)CC2)cc1 19472237 SXTYWJXBVMIFKV-UHFFFAOYSA-N 204.317 2.177 0 40 BEAB in-vitro O=C1OCCc2cc(Br)ccc21 71257295 UPAPBCUWEGCRAG-UHFFFAOYSA-N 227.057 2.162 0 40 BEAB COC(=O)/C=C/c1ccc(OC)c(F)c1 61384230 QPCMUWPYFYSMAG-GQCTYLIASA-N 210.204 2.021 0 40 BEAB CCCCCNC(=O)N1CCCC[C@@H]1CCO 95461048 CCPPMWMHCXZCDV-GFCCVEGCSA-N 242.363 2.123 0 40 BEAB Cc1nc2nc(Br)ccc2o1 74942574 XXXLGAPIEGAEQL-UHFFFAOYSA-N 213.034 2.294 0 40 BEAB in-vitro c1n[nH]c2c1[C@H](c1nc(C3CC3)no1)CCC2 89764906 YTZDEMMSQVITEZ-MRVPVSSYSA-N 230.271 2.138 0 40 BEAB Cn1nc2c(c1NC(=O)C(C)(C)C)CSC2 61721403 XMPGLOJRMDNILQ-UHFFFAOYSA-N 239.344 2.152 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CC(=O)O 2572212 HBQRMLMRLPXAGZ-YVZVNANGSA-N 210.273 2.103 0 40 BEAB biogenic Cc1ccc([C@@H]2CNC[C@H]2C(=O)O)c(Cl)c1 409424138 XREWDLFCKDAIMP-VHSXEESVSA-N 239.702 2.036 0 40 BEAB Cc1cccc(NC(=O)Nc2cnn(C)c2)c1 43273409 YVFOCCSJQYUBRX-UHFFFAOYSA-N 230.271 2.373 0 40 BEAB CNC(=O)C[C@@H](c1ccccc1)[C@@H]1CCCCN1 72208327 GINGSGJMUDUGCH-KBPBESRZSA-N 246.354 2.048 0 40 BEAB c1cnc(CC2CCN(CC3CC3)CC2)nc1 72350813 FANIFEDMABXYAJ-UHFFFAOYSA-N 231.343 2.141 0 40 BEAB CCc1nc2cc(CCC(=O)O)ccc2[nH]1 36197690 FMODQLZBVIVGGB-UHFFFAOYSA-N 218.256 2.143 0 40 BEAB COC1=CC=C(Oc2cnc(SC)nc2)C1 79016910 VRBNZBXXABAFBQ-UHFFFAOYSA-N 236.296 2.395 0 40 BEAB COc1ccccc1[C@H](CN)N1CCC(C)CC1 32522383 ZIYVUKBXAFBXFB-AWEZNQCLSA-N 248.370 2.427 0 40 BEAB O=C(O)[C@H](c1ccc(F)c(F)c1)N1CCCC1 37360199 NTEGXJKSSLVWQI-NSHDSACASA-N 241.237 2.186 0 40 BEAB O=C(O)[C@H]1C[C@@H](C2CC2)Nc2ccccc21 213142435 USHCLYXJZNMIEP-JQWIXIFHSA-N 217.268 2.449 0 40 BEAB c1cc(C[C@@H]2CNCCOC2)c2cccnc2c1 72344399 UABUZYOKZBLAQS-GFCCVEGCSA-N 242.322 2.013 0 40 BEAB COc1ccc2c(c1)C[C@@](O)(C(F)(F)F)CC2 133340553 IRFQCAVJHBGOIA-LLVKDONJSA-N 246.228 2.477 0 40 BEAB CC(C)[C@]1(O)CCN(Cc2ccccc2)C1 84400579 JKKGYJZRDNQMOF-AWEZNQCLSA-N 219.328 2.279 0 40 BEAB CCC[C@H](C)NC(=S)Nc1nccc(C)n1 225175003 VDLKZYXQBONKAG-QMMMGPOBSA-N 238.360 2.260 0 40 BEAB CCc1cnn2cc(Br)cnc12 98213896 ZMOJKPVVZZUWDL-UHFFFAOYSA-N 226.077 2.054 0 40 BEAB CCOc1cc(F)c(C(=O)OC)c(F)c1 90413898 WNVNQECCLYIUKW-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1ccccc1F 96529866 JOAPWZVBSXWBCB-UWVGGRQHSA-N 209.264 2.265 0 40 BEAB COCCN1CCC[C@@H](COc2ccccc2)C1 96411348 FMWLKYMRWJDINL-CQSZACIVSA-N 249.354 2.424 0 40 BEAB CCCN(C)c1ccnc2c1c(C)nn2C 334991385 YIWOZDQQPYDYEG-UHFFFAOYSA-N 218.304 2.123 0 40 BEAB Cc1c(NCc2ccco2)cnn1CCF 256050223 DFQSGHYQLIZCJE-UHFFFAOYSA-N 223.251 2.366 0 40 BEAB Cn1cccc1[C@H](O)c1cc(F)cc(F)c1 95727728 RXUMHROKUIBNHP-GFCCVEGCSA-N 223.222 2.385 0 40 BEAB O=c1[nH]c2c(s1)CCc1ccccc1-2 34669971 KCAMAVOHATWIMM-UHFFFAOYSA-N 203.266 2.202 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)nc1 95448443 ZTECGFYZKXSCBM-ZYHUDNBSSA-N 246.310 2.334 0 40 BEAB O=C(Nc1nccs1)N1CCC(F)(F)CC1 794755027 JTOOWAQWDLOLAX-UHFFFAOYSA-N 247.270 2.406 0 40 BEAB N[C@@H]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 1908512011 KMZIBSYIVPEGJV-RNFRBKRXSA-N 249.236 2.159 0 40 BEAB COc1ccc(Cl)c(Cl)c1CO 238335897 OMONSTSEXILJCC-UHFFFAOYSA-N 207.056 2.494 0 40 BEAB CC(C)(C)C(=O)N1CC(=O)Nc2ccccc21 21009789 JVBBNCOAEMALBI-UHFFFAOYSA-N 232.283 2.018 0 40 BEAB O=C1CCC2(CC1)CCC(C(=O)O)CC2 575441504 SIILGCOXZBRNNW-UHFFFAOYSA-N 210.273 2.391 0 40 BEAB CCC(CC)(NC(=O)c1ccccc1)[C@@H](C)O 5417131 HAYCCRPJZDPEPE-LLVKDONJSA-N 235.327 2.356 0 40 BEAB Cc1nc(N2[C@H](C)CCC[C@H]2C)ncc1C(=O)O 13638917 JSIQFJUEZCCIMR-RKDXNWHRSA-N 249.314 2.251 0 40 BEAB CCOC(=O)/C=C\P(=O)(OCC)OCC 17023506 VQPAJPYWCZUTGK-FPLPWBNLSA-N 236.204 2.329 0 40 BEAB CCc1ccccc1NC(=O)C(=O)N[C@@H](C)CC 10327116 SHEZFFPBPMNUOR-JTQLQIEISA-N 248.326 2.102 0 40 BEAB CC(C)[C@@H](C)NC(=O)/C=C/c1cccnc1 40490366 WILOEAMHAGEOSR-XUIVZRPNSA-N 218.300 2.256 0 40 BEAB O=C(O)[C@@H]1CCN(c2ccc(Cl)cc2)C1 20357885 AOKQMHHJOMXSMH-MRVPVSSYSA-N 225.675 2.251 0 40 BEAB Cc1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1 20562143 VKYRHOBFVSUHTP-UHFFFAOYSA-N 248.311 2.304 0 40 BEAB CC(C)(C)Nc1nc(Cl)nc(Cl)n1 39598 ASPFUMMXOGOLNI-UHFFFAOYSA-N 221.091 2.389 0 40 BEAB biogenic,in-vitro C[C@@H]1CCc2c(sc3ncn4cnnc4c23)C1 158860 UAYUDDKMBRQIIL-SSDOTTSWSA-N 244.323 2.464 0 40 BEAB OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 217681 PTWVMZJVTUNJRO-SNVBAGLBSA-N 241.281 2.169 0 40 BEAB CC(=O)Nc1cc2ccc(=O)oc2cc1Cl 1574371 YFYXXFLVJSKLQH-UHFFFAOYSA-N 237.642 2.405 0 40 BEAB CC1=C(C)CS(=O)(=O)N(c2ccccc2)C1 1678310 ABCDFYAFPXAOMU-UHFFFAOYSA-N 237.324 2.173 0 40 BEAB CNc1ccc(C(=O)O)cc1C(F)(F)F 1725720 HKPVZBOEPRVLTL-UHFFFAOYSA-N 219.162 2.445 0 40 BEAB O=C(O)COc1ccc2cc(O)ccc2c1 2023406 VTKLOBJSPNLFHC-UHFFFAOYSA-N 218.208 2.009 0 40 BEAB in-vitro O=C1OCC[C@@H]1Sc1ncnc2ccccc12 3295065 AUNNEOARXBVGRF-JTQLQIEISA-N 246.291 2.037 0 40 BEAB CNc1ccccc1C(C)(C)c1cc(O)n[nH]1 5497264 GICHWNNBGDDDFC-UHFFFAOYSA-N 231.299 2.483 0 40 BEAB C[C@@H](C(=O)Nc1ccccc1)N1CCCCC1 6559645 CMQADFZEKVVEKX-LBPRGKRZSA-N 232.327 2.500 0 40 BEAB Cn1cc(/C=C/C(=O)O)c2ccccc21 8628450 YEDWQKRESZUTAZ-VOTSOKGWSA-N 201.225 2.276 0 40 BEAB biogenic,in-vitro COC(=O)c1ccc(C)c(-n2cccc2C=O)c1 8701955 RRNYXJVXOXLFDJ-UHFFFAOYSA-N 243.262 2.385 0 40 BEAB CC(C)CC(=O)Nc1ccc2c(c1)NC(=O)CO2 12119896 SSIIXXUBZKGJLV-UHFFFAOYSA-N 248.282 2.002 0 40 BEAB CCCCNC(=O)Nc1cccc(C(=O)O)c1 12848080 VTCPXARHBAEQGR-UHFFFAOYSA-N 236.271 2.306 0 40 BEAB CCC[C@H](Oc1ccc(OC)cc1)C(=O)O 15418138 ZBVXWXFBBNEVAE-NSHDSACASA-N 224.256 2.327 0 40 BEAB CCOC(=O)Nc1ccc2c(c1)CCC(=O)N2C 17297227 DZLQHXFFLQBPOT-UHFFFAOYSA-N 248.282 2.164 0 40 BEAB CC(C)N[C@H](C)c1ccc2c(c1)OCO2 19880636 YOHNQQXVACHJIF-SECBINFHSA-N 207.273 2.474 0 40 BEAB CN(C)c1nc2sc(C(=O)O)cc2s1 20285100 QABBWHGWPVGGTN-UHFFFAOYSA-N 228.298 2.122 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CC[C@@H](N)CC12CCC2 20285588 VMQKCXQYZGGLIC-SNVBAGLBSA-N 240.347 2.267 0 40 BEAB NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 22996751 HRDWQNMTNONJGW-SECBINFHSA-N 232.258 2.212 0 40 BEAB O=S(=O)(NCC1CC1)c1ccc(Cl)cc1 25671953 IHJPUIKWWDBLEY-UHFFFAOYSA-N 245.731 2.028 0 40 BEAB O=C(O)[C@H](O)c1cc(Cl)cc(Cl)c1 40734166 MIEFWJKVKNYRRC-SSDOTTSWSA-N 221.039 2.111 0 40 BEAB in-vitro O=C(O)C[C@H]1CCCN1Cc1ccccc1F 42163736 RYMUKLALCSWZSB-LLVKDONJSA-N 237.274 2.265 0 40 BEAB N[C@@H]1CCCN(c2ccccc2Cl)C1 43470580 DGFJEBDWXHVROC-SECBINFHSA-N 210.708 2.268 0 40 BEAB in-vitro O=C(NCc1ccoc1)c1ccc(F)c(F)c1 45783911 ZEEVIAMONUVHBS-UHFFFAOYSA-N 237.205 2.488 0 40 BEAB CCCCOC(=O)COc1ccc(C=O)cc1 47873866 JUSQUQICOOEQCV-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CC[C@@H](C)C(=O)NCCc1cccc(OC)c1 48300501 KWZDHDMWJKZDAC-LLVKDONJSA-N 235.327 2.400 0 40 BEAB C[C@@H](NC(=O)c1ccco1)c1cccnc1 48325307 ONGZDWRBOJEBNV-SECBINFHSA-N 216.240 2.166 0 40 BEAB CC[C@H](c1cccs1)N1C(=O)C=CC1=O 49530970 JHFLTNOQQHFZSK-MRVPVSSYSA-N 221.281 2.124 0 40 BEAB CC[C@H](C)C(=O)OCc1nnsc1Cl 58553026 HMYDQPPWDBXALI-YFKPBYRVSA-N 234.708 2.281 0 40 BEAB NC[C@@]1(CO)C[C@@H]1c1cccc(Cl)c1Cl 62713545 MJDQUHRGPPKQNS-LDYMZIIASA-N 246.137 2.418 0 40 BEAB O=C(N1CC[C@@H]2CCCC[C@@H]2C1)n1ccnc1 65553050 MEIKWCXMZCLBHN-NWDGAFQWSA-N 233.315 2.363 0 40 BEAB Cc1ncc(CN(C)C[C@H]2CCCO2)s1 69416090 WXKRTWAIBBZSIB-SNVBAGLBSA-N 226.345 2.062 0 40 BEAB CCCNC(=O)NCCSc1ccccc1 70755158 ZJHJPEFKZVNBEP-UHFFFAOYSA-N 238.356 2.488 0 40 BEAB Cc1cc(C)c2nc(C3CCNCC3)[nH]c2n1 72220884 WVFODEVWWHDQPU-UHFFFAOYSA-N 230.315 2.042 0 40 BEAB CC[C@H](N)c1ccc(N2CCCC2)nc1C 72224525 XTRIUFJGNYLUFC-LBPRGKRZSA-N 219.332 2.400 0 40 BEAB COCC(C)(C)NC(=O)Nc1ccccc1 84326254 MLHNYGWCDXFWKK-UHFFFAOYSA-N 222.288 2.233 0 40 BEAB NC(=S)Nc1ccc(Cl)nc1Cl 84845385 BUCIELRKJVZURG-UHFFFAOYSA-N 222.100 2.044 0 40 BEAB Clc1ccc(CN2CCOCC2)c(Cl)n1 90413752 OVTXUFKZJJGKGZ-UHFFFAOYSA-N 247.125 2.221 0 40 BEAB Cc1cc2c(cc1N)O[C@@H](F)C(F)(F)O2 91252491 BHJXWQUYMBMQHZ-MRVPVSSYSA-N 219.162 2.237 0 40 BEAB CCOCCC(=O)Nc1cc(C)cc(C)n1 95431308 CLJXDNHBZCXFKQ-UHFFFAOYSA-N 222.288 2.064 0 40 BEAB OCC1(c2ccc(Cl)cc2Cl)OCCO1 95864858 CFHPGBOQIPFGLU-UHFFFAOYSA-N 249.093 2.185 0 40 BEAB CCCN1CCc2sc(C=O)cc2C1 96510414 KVHQGXIOGSOMFS-UHFFFAOYSA-N 209.314 2.329 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1ccc(F)cc1 96529852 BYYSIIGQQQFDCJ-SKDRFNHKSA-N 209.264 2.265 0 40 BEAB Cc1nc(-c2cc(F)cc(F)c2)cc(=O)[nH]1 96530928 RSBXANUEASUJFX-UHFFFAOYSA-N 222.194 2.024 0 40 BEAB CC[C@H]1CCN(CCNC(=O)OC(C)(C)C)C1 97227848 UABQOEKRRWDLRI-NSHDSACASA-N 242.363 2.243 0 40 BEAB O=C(COc1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100623915 KHHWHWQAUKLMIB-BZPMIXESSA-N 245.322 2.370 0 40 BEAB CCC(=O)/N=c1\sc2cccc(C)c2n1C 100878772 VTTOXWOLWAEXQO-SEYXRHQNSA-N 234.324 2.386 0 40 BEAB Cn1ncnc1SCOCc1ccccc1 185764141 PEUVLYHZFJTHTG-UHFFFAOYSA-N 235.312 2.082 0 40 BEAB C[C@@H](NC(=O)c1cnco1)c1ccc(F)cc1 224063260 PLEFMFGYEIJYOR-MRVPVSSYSA-N 234.230 2.305 0 40 BEAB CCOC(=O)c1ccc(C(F)(F)F)nc1C=O 225734999 LGJNWDDUCMEGCQ-UHFFFAOYSA-N 247.172 2.090 0 40 BEAB Cc1csc(C(=O)NCC(F)(F)F)c1 293819728 ZJQFCQLNRGPMGN-UHFFFAOYSA-N 223.219 2.349 0 40 BEAB Cc1cccc(OC[C@H]2CCCN(C)C2)n1 585654950 OITCZKZYCUDDSY-LBPRGKRZSA-N 220.316 2.111 0 40 BEAB C[C@@H](C(=O)c1ccccc1)C(=O)N1CCCC1 387885 VRZLRZRYLBZQCQ-NSHDSACASA-N 231.295 2.128 0 40 BEAB Cc1cc(O)cc(O)c1C(=O)Cc1ccccn1 407253 RMNRXQMQPHMEJG-UHFFFAOYSA-N 243.262 2.227 0 40 BEAB biogenic O=C(O)C(CCc1cccc(Cl)c1)C(=O)O 1600982 HHSNDECHLLKALX-UHFFFAOYSA-N 242.658 2.058 0 40 BEAB C[C@]1(c2ccccc2)OC[C@@H](CCCCO)O1 1672092 LIJFPWAVKWEJMI-KGLIPLIRSA-N 236.311 2.437 0 40 BEAB COc1ccccc1CN1CCCC[C@H]1C(=O)O 3754747 QGAXUFYVQFXXON-LBPRGKRZSA-N 249.310 2.134 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 4104705 OQKJKCCRSOBXLL-VDVLUQLZSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro CCOCCC(=O)N(C)c1ccccc1 4815733 TUVMMFHXEQMUPP-UHFFFAOYSA-N 207.273 2.076 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1ccccc1C(=O)O 5187332 WMBSNHLLELFRTM-SNVBAGLBSA-N 247.294 2.399 0 40 BEAB CCCCCc1ccc(C(=O)NCCO)cc1 6203597 QEEIDNPRIZLPLP-UHFFFAOYSA-N 235.327 2.141 0 40 BEAB COc1ccc(NC(=S)NC(C)C)cc1 6307048 RETZJYQIOPWNHS-UHFFFAOYSA-N 224.329 2.390 0 40 BEAB O=C(Nc1ccc(F)cc1)Nc1cnsn1 6472432 IQSPBVBXZJTEKP-UHFFFAOYSA-N 238.247 2.321 0 40 BEAB C[C@H](SCC(=O)c1ccccc1)C(=O)O 6850649 MUKLLYPHTKCERM-QMMMGPOBSA-N 224.281 2.076 0 40 BEAB O=C(Nc1ccccn1)c1ccsc1 12527873 JFZHQUMGQJKALU-UHFFFAOYSA-N 204.254 2.395 0 40 BEAB O=c1cc(-c2ccccc2)nc2n1CCS2 14608407 IHWGOPCJQALWLT-UHFFFAOYSA-N 230.292 2.016 0 40 BEAB Cc1cc(O[C@@H](C)C(N)=O)cc(C(C)C)c1 16046956 NESFMWXLIBGQQQ-JTQLQIEISA-N 221.300 2.371 0 40 BEAB Cc1cc(C)n2nc(Nc3ccccc3)nc2n1 16755317 YKUPYTAFKAUWNK-UHFFFAOYSA-N 239.282 2.485 0 40 BEAB N[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1 19273125 IOIVLHZNPOACPZ-RYUDHWBXSA-N 209.264 2.474 0 40 BEAB COC[C@H](C)NCc1ccc(F)cc1F 19904343 PMXHNQGTFKUKEG-QMMMGPOBSA-N 215.243 2.089 0 40 BEAB O=C(O)CSCc1cnn(-c2ccccc2)c1 20284811 SMBGNGUVCPWROR-UHFFFAOYSA-N 248.307 2.190 0 40 BEAB O=C(O)c1c(O)cc(Cl)cc1Cl 20593718 GHXWAANNBILSEF-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB in-vitro O=C(NCCc1cccs1)c1ccoc1 22505230 KHEHWGUPMCVHHI-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1CC1 24564796 CPTNWSWAYFYBQP-UHFFFAOYSA-N 246.285 2.437 0 40 BEAB Cc1nc2nc[nH]c2c(C)c1Br 26460276 MRUMPPMLGSGFAK-UHFFFAOYSA-N 226.077 2.337 0 40 BEAB CCC(C)(C)OC[C@H](O)CN1CCCCCC1 28295255 ZNLDNTBPYCJILD-CYBMUJFWSA-N 243.391 2.429 0 40 BEAB CCOc1ncccc1C(=O)N1CCCC[C@H]1C 32666377 VWMRHMLEURBXGZ-LLVKDONJSA-N 248.326 2.495 0 40 BEAB CCC[C@@H](N)C(=O)N[C@H](C)c1cccs1 36873289 MCLCBTCMINUICY-RKDXNWHRSA-N 226.345 2.053 0 40 BEAB c1cncc(NCc2ccc3c(c2)OCO3)c1 36904294 RDBXPVLXUYVOAQ-UHFFFAOYSA-N 228.251 2.422 0 40 BEAB C[C@@](C(=O)O)(c1ccccc1)N1CCCC1 37359866 HIWHOHZULRSJMB-ZDUSSCGKSA-N 219.284 2.082 0 40 BEAB biogenic,in-vitro CC(C)(C)OC(=O)[C@H](N)C1CCCCC1 38037218 SOPMMEPRLRLVOS-SNVBAGLBSA-N 213.321 2.236 0 40 BEAB Clc1ccc([C@H]2CNCCN2)cc1Cl 38531983 PUJZPGUYDJGSAC-SNVBAGLBSA-N 231.126 2.227 0 40 BEAB CC[C@H](Sc1ccccn1)C(=O)OC 40024278 QWYJDNJPTOLXRC-QMMMGPOBSA-N 211.286 2.125 0 40 BEAB O=C(/C=C/c1cccnc1)NCc1ccccc1 40050017 LYSMOLAIHRQHIO-CMDGGOBGSA-N 238.290 2.411 0 40 BEAB CC[C@H](C)c1ccc(OCC(N)=O)cc1 40456770 RBMRJIKWOBGISU-VIFPVBQESA-N 207.273 2.064 0 40 BEAB C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2O1 40466499 HSZLHXYJYTUWHE-BXUZGUMPSA-N 245.322 2.391 0 40 BEAB C[C@H]1CCCN(C(=O)CSC(F)(F)F)C1 40513885 ZVXQESVBBBJSOA-ZETCQYMHSA-N 241.278 2.498 0 40 BEAB Cc1nscc1C(=O)N1CCCCCC1 40757190 SPVXVMYEVBLDOM-UHFFFAOYSA-N 224.329 2.468 0 40 BEAB CCc1ccc([C@@H]2CN(C(C)=O)CCO2)cc1 41380445 JQQXORVDLAIKEZ-AWEZNQCLSA-N 233.311 2.169 0 40 BEAB Cc1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1C(=O)O 44749787 XDNSSUFHGGPISC-KWQFWETISA-N 233.267 2.288 0 40 BEAB CC(C)=CCN1CCN(c2nccs2)CC1 54635126 BPONJZFHOHWGRU-UHFFFAOYSA-N 237.372 2.231 0 40 BEAB O=C(/C=C/c1ccccc1)NO[C@@H]1CCCCO1 58330695 PIAVDHSMEFIWFS-ATWMFIQVSA-N 247.294 2.274 0 40 BEAB Cc1noc(C)c1CNC(=O)c1ccccc1 61997191 AHOUCXVGAJJSSY-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB COc1cc2c(cc1Cl)C=C(C(=O)O)CO2 62710586 IHQRMGCFJBPVAY-UHFFFAOYSA-N 240.642 2.209 0 40 BEAB COc1cccc([C@H]2C[C@@H]2[C@H](C)O)c1OC 62713904 FZMUAEIULPUYBQ-JMJZKYOTSA-N 222.284 2.188 0 40 BEAB Cc1cc(C2=NCCCC2)cnc1N(C)C 72218631 HHAJXCNHBRGRSK-UHFFFAOYSA-N 217.316 2.429 0 40 BEAB CCC(=O)Nc1c(C)cc(-n2cnnc2)cc1C 72228921 GPUPVMHEIPTEMS-UHFFFAOYSA-N 244.298 2.233 0 40 BEAB O=C(NCC1CC1)c1cn[nH]c1-c1cccs1 72329478 ZFRPJRAYZLPBDI-UHFFFAOYSA-N 247.323 2.278 0 40 BEAB COCc1ccc([C@H]2NCCS2)cc1 83969478 PWXPFEHVXMZPJU-NSHDSACASA-N 209.314 2.168 0 40 BEAB Cc1cnc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 84258213 SMUXLIXJKADXCD-AAEUAGOBSA-N 245.326 2.190 0 40 BEAB CC(=O)c1c[nH]c2c(C)ccc(C)c2c1=O 85383874 PVAWOXBAZJKCNY-UHFFFAOYSA-N 215.252 2.348 0 40 BEAB COC(=O)[C@]1(C)O[C@]1(C)C1CCCCC1 85657943 ODUQUFFHYSBQIT-NEPJUHHUSA-N 212.289 2.287 0 40 BEAB Cc1cccc(C(=O)NC[C@H](O)CC(C)C)c1C 89686367 GVRCJPCAEIKHGM-CYBMUJFWSA-N 249.354 2.440 0 40 BEAB CC(C)[C@H]1CO[C@]2(CCN(Cc3c[nH]cn3)C2)C1 96072030 RVPDKXPIDLLUSJ-TZMCWYRMSA-N 249.358 2.047 0 40 BEAB CCOC(=O)c1cc(C)nn1Cc1ccccc1 96102451 NYIFXZXPWKOCEG-UHFFFAOYSA-N 244.294 2.417 0 40 BEAB O=C(O)c1ccc(/C=C/C(=O)N2CCCC2)cc1 96402396 YIIJZEOYEJMKRE-VMPITWQZSA-N 245.278 2.020 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 96510103 NEHLWIPUDJGCPW-MNOVXSKESA-N 228.288 2.116 0 40 BEAB O=C(NCCCNc1cccc(F)c1)C1CC1 97372818 WJJHLIFTBFQXGA-UHFFFAOYSA-N 236.290 2.154 0 40 BEAB NC(=O)c1c(Cl)cc(F)cc1Cl 98095715 CWKGBEFRQOIUPK-UHFFFAOYSA-N 208.019 2.231 0 40 BEAB CCCc1nnc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)s1 102679837 GUDPVBZZVAGIPZ-YIZRAAEISA-N 239.344 2.222 0 40 BEAB C[C@H]1CCCC[C@@H]1CNC[C@H](C)CCO 108468139 YWYZRSKYGGOQEG-FRRDWIJNSA-N 213.365 2.421 0 40 BEAB C[C@H]1CNc2nn(C3CCCC3)c(O)c2C1 110751814 XZFDSPDLWIANBZ-MRVPVSSYSA-N 221.304 2.308 0 40 BEAB C[Si](C)(C)c1ccc(C(=O)O)c(F)c1F 169807292 ZQIOJKVRZLZAKQ-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB CCOC(=O)c1ccc(C)c(C(C)=O)c1 195046079 DGWNXZYEOJCMTC-UHFFFAOYSA-N 206.241 2.374 0 40 BEAB CNC[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 256050830 GQOXRGPBNSWUJQ-WDEREUQCSA-N 242.363 2.241 0 40 BEAB Cc1nsc(N2Cc3ccccc3C2)n1 266353506 JWUQGMMNUDTCGC-UHFFFAOYSA-N 217.297 2.367 0 40 BEAB CCOC(=O)c1cc(O)cc(Cl)c1F 575701427 YWKHYBJSLWMZBI-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB O=C(c1ccccc1)[C@H]1CN2CCC1CC2 51653 XZQHUOUQAUYEOU-ZDUSSCGKSA-N 215.296 2.211 0 40 BEAB COc1ccc(OC)c(/C=C/C(=O)NC(C)C)c1 147194 OHNVASSNYXWDCM-VMPITWQZSA-N 249.310 2.242 0 40 BEAB CC(C)COP(=O)(O)OCC(C)C 1673632 PVQVJLCMPNEFPM-UHFFFAOYSA-N 210.210 2.432 0 40 BEAB ClC1(Cl)[C@@H]2CCCC3(OCCO3)[C@@H]21 1766092 ANGZSUYAEODLHM-RNFRBKRXSA-N 223.099 2.333 0 40 BEAB CC(=O)OCC[C@@H](OC(C)=O)c1ccccc1 2048315 SBOBOTARPDBQPK-CYBMUJFWSA-N 236.267 2.244 0 40 BEAB COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1O 4720851 JZGHKVCLIIIGNI-MELADBBJSA-N 248.322 2.494 0 40 BEAB c1coc(CNCc2ccc3c(c2)OCO3)c1 4992716 IYJBVWFYSKYHQY-UHFFFAOYSA-N 231.251 2.298 0 40 BEAB in-vitro S=c1[nH]ncn1NCc1cccc(Cl)c1 7601223 XCXYQXOQBNBQRT-UHFFFAOYSA-N 240.719 2.338 0 40 BEAB Cc1nnc(NC(=O)c2ccccc2)s1 9045027 KGDDBWOFFAWDJA-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB Cc1cccc(NC(=O)NC2CCC(O)CC2)c1 9255971 RVDWGLLDWBYUMA-UHFFFAOYSA-N 248.326 2.420 0 40 BEAB COc1cccc(NC(=O)NCC2CC2)c1 12906884 CXXYKBGDRZQAMU-UHFFFAOYSA-N 220.272 2.227 0 40 BEAB Nc1cc(Br)c2cccnc2c1O 13207771 JWDPKUHZINCEAQ-UHFFFAOYSA-N 239.072 2.285 0 40 BEAB Cc1ccc2cc(CNC3CC3)c(=O)[nH]c2c1C 13566559 ILJBYPYDVAWMMZ-UHFFFAOYSA-N 242.322 2.397 0 40 BEAB Cc1nc2cc3c(cc2[nH]1)OCCCO3 14000621 WDIQQFNYNJALRW-UHFFFAOYSA-N 204.229 2.033 0 40 BEAB O=c1[nH]n(-c2ccccc2)c2c1CCCC2 16523963 VSRKGGZDAWBRTF-UHFFFAOYSA-N 214.268 2.044 0 40 BEAB C/C=C/Cc1nnc(C)c2c(C)n[nH]c12 17109710 WIXNVIOBCCNZEV-SNAWJCMRSA-N 202.261 2.088 0 40 BEAB Cc1ccc(Cl)c(OCCCO)c1 19786180 NRLAVISBWIWGHS-UHFFFAOYSA-N 200.665 2.410 0 40 BEAB CCCCNc1ccc(-n2nccn2)cc1 37128382 XHDDQNMFJJJMRJ-UHFFFAOYSA-N 216.288 2.479 0 40 BEAB O=C(O)C(=O)c1ccc(Cl)c(Cl)c1 37378035 FECOOTOWJXGHGV-UHFFFAOYSA-N 219.023 2.261 0 40 BEAB O=C(O)c1cc2ccc(C(F)(F)F)nc2[nH]1 37593618 XWVHTTQLCYJSLT-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB in-vitro COCCCNC(=O)Nc1cc(C)ccc1F 40526376 VTLUNFLCTPYARQ-UHFFFAOYSA-N 240.278 2.292 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)c1cnns1 40554541 KRPFCGPMZMRHKY-QMMMGPOBSA-N 245.307 2.130 0 40 BEAB OC[C@H](c1cccc(Cl)c1)N1CCCC1 41246407 RHMXXHRADUWXPG-GFCCVEGCSA-N 225.719 2.469 0 40 BEAB Fc1ccc2c(Br)c[nH]c2n1 44700034 FRKIEXRKVIGWSN-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CC(C)(C)c1csc([C@H]2CNCCO2)n1 58035956 DZECWAJGOYTBDU-MRVPVSSYSA-N 226.345 2.102 0 40 BEAB in-vitro NC[C@@]1(CO)C[C@@H]1c1ccc(C(F)(F)F)cc1 62713789 BBNDOWPZRLHQRV-GHMZBOCLSA-N 245.244 2.130 0 40 BEAB CC[C@H](C)N(C)CCNC(=O)c1ccsc1 66137126 KUUDYFFSVXPMJD-JTQLQIEISA-N 240.372 2.208 0 40 BEAB Cc1cccn(Cc2cccc(F)c2)c1=O 69925462 UBVGQRAYIUDUDL-UHFFFAOYSA-N 217.243 2.344 0 40 BEAB CSCC1(CN(C)CC[C@H](C)O)CCC1 89895442 KROMUBLTJGQLPJ-NSHDSACASA-N 231.405 2.222 0 40 BEAB CC(C)(C)c1nnnn1Cc1ccccc1 91690481 XCVBGDDCZYRBLL-UHFFFAOYSA-N 216.288 2.019 0 40 BEAB C[C@@H]1CCCC[C@@H]1CNCCC[S@](C)=O 97086558 VZFCFPCDFZQTBX-LALPHHSUSA-N 231.405 2.171 0 40 BEAB CC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F 98210603 HBRIAAIICOEFEL-SCSAIBSYSA-N 224.100 2.085 0 40 BEAB COc1cc(O)ccc1-c1cccc(N)n1 100027452 FWXKPCHUSMDKJD-UHFFFAOYSA-N 216.240 2.045 0 40 BEAB COc1ccccc1-n1nc2c(c1O)CCC2 102003845 MUEYOBZDFJIQLT-UHFFFAOYSA-N 230.267 2.075 0 40 BEAB O=C(Nc1ccccn1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102084862 ICUGUWHKSGQUFZ-GMTAPVOTSA-N 216.284 2.456 0 40 BEAB C[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@@H](O)C=C[C@]56[C@H]([C@@H]1C)[C@@H]43 104286509 VVDJHGYLWXVZIO-FETGVZDASA-N 228.335 2.317 0 40 BEAB O=C1NCSc2ccc(Br)cc21 206610419 KHDSPHNEIBDGOY-UHFFFAOYSA-N 244.113 2.242 0 40 BEAB COCC(=O)Nc1cccc(OC(C)C)c1 223754609 GSEFQUWLYCWENJ-UHFFFAOYSA-N 223.272 2.059 0 40 BEAB Nc1nc2c(Br)ccnc2s1 228941471 WORHQFRZRZSFGN-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21 245224138 RSVDRWTUCMTKBV-XHJNMGKDSA-N 248.322 2.333 0 40 BEAB CCn1ccc(CNc2nn(CC)cc2C)n1 256053284 QVZAMWKJJIMUFC-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CC[C@H](C)n1ncc(Br)c1CO 685936450 YBHSBOQLPBFYTL-LURJTMIESA-N 233.109 2.109 0 40 BEAB Cn1cnc(-c2cccc(OC(F)F)c2)n1 2362801467 JFVNOBPPSBOKOJ-UHFFFAOYSA-N 225.198 2.084 0 40 BEAB C[C@@H]1CCc2c(sc3ncnc(NN)c23)C1 144674 JYAWOBURGLFWTJ-ZCFIWIBFSA-N 234.328 2.102 0 40 BEAB in-vitro O=C1CC[C@@H]2c3ccccc3C(=O)[C@@H]2C1 1644709 YPLQPADQPYWZNG-ZYHUDNBSSA-N 200.237 2.336 0 40 BEAB CC(C)(CCC(=O)O)c1ccc(N)cc1 1671141 UYPNMPFOGFKGRL-UHFFFAOYSA-N 207.273 2.411 0 40 BEAB NS(=O)(=O)N(c1ccccc1)c1ccccc1 1846494 JNRIMGJUBFEWOW-UHFFFAOYSA-N 248.307 2.028 0 40 BEAB in-vitro CC(C)OC(=O)/C=C/c1ccccc1O 3852364 CLTUKDYUSFOGQE-BQYQJAHWSA-N 206.241 2.357 0 40 BEAB CCC[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 5591363 MKKREYTWDYEBFD-MXWKQRLJSA-N 213.321 2.058 0 40 BEAB Cc1cc(C)c2nc(O)cc(C(=O)O)c2c1 9556457 RCYQCCUGBUYOIQ-UHFFFAOYSA-N 217.224 2.255 0 40 BEAB CN1CCC[C@@H](CNC(=O)Nc2ccccc2)C1 9876657 SFBVGSDVKVREGX-LBPRGKRZSA-N 247.342 2.150 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(Cl)o1 12936635 BUIGHCNWKUERKM-LURJTMIESA-N 201.653 2.461 0 40 BEAB CCCNC(=O)COc1ccc(C)c(C)c1 13992428 UWFIWHMINNCMCC-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB CC1(C)C2=CCCC(=O)[C@]2(C)CC[C@@H]1O 17190531 VPZIXECAMMBHLM-GXFFZTMASA-N 208.301 2.463 0 40 BEAB CCC[C@@H](C)NCc1nnc2ccccn12 20185636 STZIPPYAKJFVQV-SNVBAGLBSA-N 218.304 2.008 0 40 BEAB CCC[C@@H](C(=O)Nc1ncn[nH]1)c1ccccc1 23143427 FRIAFDDZWMXNLU-LLVKDONJSA-N 244.298 2.327 0 40 BEAB Cc1ccc(NC(=O)[C@H](C)n2cncn2)cc1C 27579365 RSUAPWZYVXHBOE-NSHDSACASA-N 244.298 2.095 0 40 BEAB BrC1=NO[C@H](c2ccccn2)C1 30678687 RFOXEJQCVRQUFN-ZETCQYMHSA-N 227.061 2.251 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1ccccn1 32819166 RLQIYLQZUBGHOR-JTQLQIEISA-N 202.257 2.376 0 40 BEAB O=C(O)c1sccc1OCC(F)(F)F 33425261 GLYUZVRTMHDVSU-UHFFFAOYSA-N 226.175 2.387 0 40 BEAB C[C@H]1Sc2nncn2N=C1c1ccccc1 33737637 DSDMCHWFBNYULG-MRVPVSSYSA-N 230.296 2.025 0 40 BEAB CC(C)(C)c1c[nH]c([C@H]2CCCNC2)n1 36876494 XHHAAZCVMGMFLR-VIFPVBQESA-N 207.321 2.174 0 40 BEAB Brc1cnn(-c2ccncc2)c1 38074910 OMMHWBMJGFPIOU-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB in-vitro CCOC(=O)c1[nH]nc2c1CCc1ccccc1-2 39386658 PWUVOOGPKKBSGL-UHFFFAOYSA-N 242.278 2.352 0 40 BEAB CCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 42646506 CJDRQLQPTOXZDI-UHFFFAOYSA-N 248.326 2.059 0 40 BEAB Cc1ccc(CN2CCCC[C@@H]2CO)cc1 49751258 RUCUIOODARESCC-CQSZACIVSA-N 219.328 2.342 0 40 BEAB CN[C@@H]1CCCN(Cc2cccc(F)c2)C1 53201450 FDQRRBLFTPFTGQ-CYBMUJFWSA-N 222.307 2.010 0 40 BEAB O=C(CCn1cccn1)NCCC1=CCCCC1 54484255 VXHRBIMVJGIXJZ-UHFFFAOYSA-N 247.342 2.280 0 40 BEAB CCn1cc(NC(=O)c2ccccc2OC)cn1 58378367 IMFCERADJAQMSM-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB Nc1ccc(Oc2ccnc(N)c2)c(F)c1 59822713 AWAOTKYAHSYQNA-UHFFFAOYSA-N 219.219 2.177 0 40 BEAB O=C(O)CCn1ncc2ccc(Cl)cc21 62711066 UVDXMZQBAUASHE-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB COc1ccc(NC(=O)N(C)[C@H](C)C2CC2)cn1 65567727 ZCZLAMRWHMZKLR-SECBINFHSA-N 249.314 2.352 0 40 BEAB Cc1cc(I)sn1 66309058 BKAZKAKFTYEOIA-UHFFFAOYSA-N 225.054 2.056 0 40 BEAB in-vitro CC(=O)c1cc(Br)cc(C)n1 66327866 MTNXMNGNCNJYDL-UHFFFAOYSA-N 214.062 2.355 0 40 BEAB O[C@@H](c1ccoc1)c1ccc2c(c1)OCO2 68979116 NGZHHGIZOYVRMM-GFCCVEGCSA-N 218.208 2.090 0 40 BEAB c1cnc2ccc(C[C@@H]3CCNC3)cc2c1 70627754 GGKQIJRCZXSVTK-LBPRGKRZSA-N 212.296 2.387 0 40 BEAB CC(C)[C@H](N)[C@@H](CC(=O)O)c1ccccc1 72208295 FMIBFCOBLJOMLW-AAEUAGOBSA-N 221.300 2.228 0 40 BEAB COc1ncccc1[C@@H]1CCCCN1C(C)=O 72211754 TUJBLEQKRUULIX-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB Cc1c[nH]nc1[C@H]1CN(C2CCCCC2)CCO1 72381193 YUBJCCKNWSOKGD-CYBMUJFWSA-N 249.358 2.424 0 40 BEAB C[C@@H]1CCCCCN1C(=O)C1=CCCCO1 73679726 QECYMMPXSFBYHH-LLVKDONJSA-N 223.316 2.472 0 40 BEAB CCC(=O)NCCCN1CCCc2ccccc21 78582360 OQKIZVAMXTTXEQ-UHFFFAOYSA-N 246.354 2.356 0 40 BEAB O[C@H]1CCN(Cc2csc3ccccc23)C1 78643077 WJZCBQZNEKUHDI-NSHDSACASA-N 233.336 2.468 0 40 BEAB CC1=CS(=O)(=O)c2c(Cl)cccc21 83255195 RVXUOIAUUUPODW-UHFFFAOYSA-N 214.673 2.488 0 40 BEAB O=C(O)C1(COc2ccccc2)CCC1 85390434 ZKEVKVBKWVYEDL-UHFFFAOYSA-N 206.241 2.320 0 40 BEAB CCN(C)Cc1ccc(F)cc1C(=O)OC 89960861 WASKSPRYBGJORN-UHFFFAOYSA-N 225.263 2.064 0 40 BEAB FC(F)(F)c1ccc([C@H]2CCNC2)nc1 95642452 RZAQCPGMOOTZRZ-ZETCQYMHSA-N 216.206 2.177 0 40 BEAB O[C@@H](CCC1OCCCO1)c1ccccc1F 95728533 ZQRWBRJLYSRINV-LBPRGKRZSA-N 240.274 2.402 0 40 BEAB COc1cc(C2([C@@H](C)O)CC2)cc(F)c1F 95739173 FPOWBMBBKWESSC-SSDOTTSWSA-N 228.238 2.386 0 40 BEAB C[C@H](Cc1cccc(C(F)(F)F)c1)NN 161783368 RTQTZMZVIXHHHX-SSDOTTSWSA-N 218.222 2.100 0 40 BEAB Cn1ncc2c(C=O)cc(C(C)(C)C)nc21 225813957 MAHSLNHNQJJHCZ-UHFFFAOYSA-N 217.272 2.078 0 40 BEAB Cc1cc(N)c(N2CCC[C@H](C(=O)O)C2)cc1C 256052281 MQWIAAYKRKJCPJ-NSHDSACASA-N 248.326 2.187 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2NCCC[C@@H]21 257962666 DVZCLSHSZDQPBD-HBNTYKKESA-N 240.347 2.042 0 40 BEAB COc1ccccc1Nc1ncc(C)c(O)n1 408980679 SFXXTVNWZJCROI-UHFFFAOYSA-N 231.255 2.243 0 40 BEAB Cc1cc(=O)n(Cc2cccc(Cl)c2)cn1 677795554 RAGJNFITLHIIHC-UHFFFAOYSA-N 234.686 2.253 0 40 BEAB Cc1cc(-c2ncn(C)n2)ccc1Cl 2362801493 JQDMUAPXUOCMTQ-UHFFFAOYSA-N 207.664 2.444 0 40 BEAB CCC(=O)Nc1nnc(CC(C)C)s1 344537 AYOMCHDQFLKFLE-UHFFFAOYSA-N 213.306 2.085 0 40 BEAB CCOC(=O)CCc1cccc(OC)c1OC 395592 SLDGGTLYQAVFLQ-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB CCN(CC)C(=O)c1cccc(OC)c1OC 496405 SUSWIGCCIPLSLE-UHFFFAOYSA-N 237.299 2.186 0 40 BEAB CC(=O)Nc1nnc(-c2cccs2)s1 795811 GHOQNHOIIBUJQW-UHFFFAOYSA-N 225.298 2.225 0 40 BEAB CCOC(=O)[C@@H](C)[C@H](O)C1CCCCC1 1672471 DHUTYWZACOLLEJ-ONGXEEELSA-N 214.305 2.127 0 40 BEAB CCCCN(CCCC)C(=O)/C=C/C(=O)O 1700282 OZMRKDKXIMXNRP-BQYQJAHWSA-N 227.304 2.056 0 40 BEAB CCOCC(=O)Nc1ccc(Cl)cc1 2069478 XFOAUXLEMCNTBR-UHFFFAOYSA-N 213.664 2.315 0 40 BEAB C[n+]1ccccc1N1CCC(c2ccccc2)=N1 5535502 ONTQUJVEYUVOOU-UHFFFAOYSA-N 238.314 2.126 0 40 BEAB O=C(Sc1ncccn1)c1ccco1 6883789 RALWIHVJNMFMNH-UHFFFAOYSA-N 206.226 2.002 0 40 BEAB CCOCCCOc1ccccc1C=O 8731426 GCPFLDYJKOPECA-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB O=C(COc1ccc(F)cc1)Nc1ccncc1 9379367 OZKAIMFMLSSDOR-UHFFFAOYSA-N 246.241 2.238 0 40 BEAB CC(C)n1cc2c(C(F)(F)F)cc(=O)[nH]c2n1 12397850 CBWQCYVNOWPCIE-UHFFFAOYSA-N 245.204 2.324 0 40 BEAB CC[C@H](c1ccc(F)cc1F)N1CCNCC1 22125661 HYMGMPAHOVBUMS-CYBMUJFWSA-N 240.297 2.321 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)n1ccnc1 32628623 GZPOELWUWAUAJL-UWVGGRQHSA-N 207.277 2.020 0 40 BEAB Cc1ccc(C(=O)N2CCCCCC2)cn1 32901344 GZFSRJINJASWIX-UHFFFAOYSA-N 218.300 2.406 0 40 BEAB CN1CCC(N(C)C(=O)CC2CCCC2)CC1 33019510 SQCUAZHXKAKFBY-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB Cc1cc(C)c2sc(N3CCNCC3)nc2c1 34936028 RQZXKXOGZFTINS-UHFFFAOYSA-N 247.367 2.323 0 40 BEAB COc1ccccc1C(=O)Nc1c(C)n[nH]c1C 36734163 KZIUHQGLEAASSK-UHFFFAOYSA-N 245.282 2.287 0 40 BEAB C[C@@H](CC(=O)N1CCCNCC1)CC(C)(C)C 36889233 GEAOAXXILQQRHM-LBPRGKRZSA-N 240.391 2.271 0 40 BEAB CCOC(=O)[C@H](C)N1CCc2ccccc21 41391843 MQIRBGDRDKJLFQ-JTQLQIEISA-N 219.284 2.001 0 40 BEAB c1nncn1C1C2CC3CC(C2)CC1C3 45958038 HGTRTMOUJWBMNI-UHFFFAOYSA-N 203.289 2.275 0 40 BEAB OCC1CCN(C/C=C/c2ccccc2)CC1 47958850 KRSDANWQSBFWDS-QPJJXVBHSA-N 231.339 2.404 0 40 BEAB CCOc1ccccc1[C@H]1C[C@@H]1CNC 54588680 RIUBOBWEODBZEH-PWSUYJOCSA-N 205.301 2.408 0 40 BEAB CCN(CC)c1nc(C)nc2c(C)nn(CC)c12 57355264 PSHOSXVXHDVPIN-UHFFFAOYSA-N 247.346 2.309 0 40 BEAB Cc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1 62133384 KHIQGGKSVSXEDM-CYBMUJFWSA-N 233.311 2.210 0 40 BEAB CC(C)N(C(=O)c1ccccn1)C1CC1 69377484 HEXHJKZGFWQUJJ-UHFFFAOYSA-N 204.273 2.095 0 40 BEAB CCOC(=O)C[C@H](c1ccccc1)N(C)C 70824038 LJVHNFLIHXPAAY-GFCCVEGCSA-N 221.300 2.243 0 40 BEAB CCCN(CCC)c1ccc(C(=O)OC)cn1 72225273 VIVYDMVNSPVWNE-UHFFFAOYSA-N 236.315 2.495 0 40 BEAB C[C@H]1CCC[C@H](C)C1NC(=O)c1cnccn1 72274696 UJRKNUKORQAHFI-UWVGGRQHSA-N 233.315 2.031 0 40 BEAB COCCN1CCC(Oc2cccc(C)c2)CC1 72350995 WBTDFCBQPSQIFZ-UHFFFAOYSA-N 249.354 2.485 0 40 BEAB Cc1nccn1C[C@@H]1CCCN(C(C)C)C1 72356937 NTJDMPPNAHKLDL-CYBMUJFWSA-N 221.348 2.312 0 40 BEAB CN1CCC(C(=O)Nc2ccccc2F)CC1 74713342 MPKWQCTYBXVYHB-UHFFFAOYSA-N 236.290 2.106 0 40 BEAB Cc1nc(Br)sc1C=O 82379237 YHYIYXCLOXLCBM-UHFFFAOYSA-N 206.064 2.027 0 40 BEAB CCC[C@H](N)CN(C)CCc1ccccc1 83852697 DDQWMWDOYWLRLU-AWEZNQCLSA-N 220.360 2.288 0 40 BEAB CNCC(=O)N1CCC[C@@H]1c1cccc(C)c1C 83932538 XCEVPYUSHUKHMN-CQSZACIVSA-N 246.354 2.186 0 40 BEAB Cc1ccc(N)cc1S(=O)(=O)C1CCCC1 88065986 HJQVJTIMGZFEBI-UHFFFAOYSA-N 239.340 2.294 0 40 BEAB Cc1cnc(COC(=O)c2ccoc2C)o1 95405223 SDKKWMWAUNMNGQ-UHFFFAOYSA-N 221.212 2.241 0 40 BEAB Cc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](C)N2 95471673 DJVKJKTUBCAKLX-BXKDBHETSA-N 228.299 2.380 0 40 BEAB Cc1c(N)cnc(Cl)c1Br 95829237 AFZHSISIVLKCMT-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB in-vitro Cc1ncc(Cl)c(N)c1Br 95949985 RSJJVGRGBLDWML-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB N[C@@H]1CCN([C@H]2CCC[C@H]2c2ccc(F)cc2)C1 97165788 STHREKKEZYPTTF-ILXRZTDVSA-N 248.345 2.495 0 40 BEAB O=C1[C@H]2CCS[C@H]1CN(Cc1ccccc1)C2 100556980 OWDNFKRBYCTJHK-STQMWFEESA-N 247.363 2.193 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)N(C)C 103596485 FZCJAUHUIMNICA-VIFPVBQESA-N 204.273 2.119 0 40 BEAB CCN(Cc1ncnn1C)[C@@H]1CCCC[C@@H]1C 120070518 QNBPOLPSAUQBNX-NWDGAFQWSA-N 236.363 2.216 0 40 BEAB Cc1nc2ccccc2nc1O[C@@H]1CCC[C@H]1N 136413305 MNWPRDGKPQNFKH-ZWNOBZJWSA-N 243.310 2.197 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H](CO)C2(CCC2)C1 140642923 UTVLESWQVLBCDG-JTQLQIEISA-N 241.331 2.016 0 40 BEAB C[C@H]1CSC(SCc2nccn2C)=N1 155541785 ZQXDSPAEPBQVKU-ZETCQYMHSA-N 227.358 2.145 0 40 BEAB CSc1ccc(Cc2cc(C)n[nH]c2=O)cc1 199803948 KHUABEMFICAXSU-UHFFFAOYSA-N 246.335 2.391 0 40 BEAB COc1ccc(N[C@H]2CCCC[C@H]2N)cc1 218682719 DHUWBPYQXYJHQL-OLZOCXBDSA-N 220.316 2.377 0 40 BEAB Nc1ccc(NC2CC2)c(C(=O)N2CCCC2)c1 225456098 XWDDIWDIYIIMKB-UHFFFAOYSA-N 245.326 2.079 0 40 BEAB N#Cc1cnccc1Oc1ccccc1C(=O)O 399000406 BQJXUZONNAACOM-UHFFFAOYSA-N 240.218 2.444 0 40 BEAB CCCn1cc(Br)c(COC)n1 408715198 FLICTGCHXAXXIK-UHFFFAOYSA-N 233.109 2.202 0 40 BEAB FC1(F)CN[C@H](c2noc(C3CCC3)n2)C1 585146115 BGJGVBDZFDCIBS-ZETCQYMHSA-N 229.230 2.007 0 40 BEAB O=C(O)C[C@H](n1cc(Cl)cn1)C(F)(F)F 685936664 OLSIWIYANZWHBU-YFKPBYRVSA-N 242.584 2.115 0 40 BEAB CCc1c(C)[nH]c2cccc(OC)c2c1=O 685938014 AFNHIAZUEYGBSV-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@](F)(CN)CC1 953076920 IUTGHIYWGZQESN-WVSHTKLVSA-N 246.326 2.121 0 40 BEAB Cc1nc2c(c(NCC3CCOCC3)n1)CCC2 1565522037 OEEUFCHTVPKWMQ-UHFFFAOYSA-N 247.342 2.112 0 40 BEAB O=C1[C@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 1162488 NCTHTNCTMQAJDU-TUAOUCFPSA-N 207.317 2.230 0 40 BEAB Cc1ccc(-n2nnnc2-c2cccnc2)cc1 1602509 XLTASQGIWFMNJU-UHFFFAOYSA-N 237.266 2.033 0 40 BEAB Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1 2498105 ARUFARLPAYCTLL-UHFFFAOYSA-N 249.270 2.422 0 40 BEAB aggregator C[C@H]1CCCN(c2cc(C(=O)O)ccn2)C1 2527395 OPDQXUZZPJEEHW-VIFPVBQESA-N 220.272 2.016 0 40 BEAB in-vitro CC(C)(C)C(=O)COC(=O)c1ccc(O)cc1 3315537 XTNXYJJPWAGEKG-UHFFFAOYSA-N 236.267 2.164 0 40 BEAB O=C(Nc1cccnc1)c1n[nH]c2ccccc12 5265958 ZAJIGDRNQATPPP-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCCNC(=O)N[C@H](C)c1ccccc1 5951897 ZOFQDASSDGDQCZ-SNVBAGLBSA-N 206.289 2.457 0 40 BEAB C[C@H](NC(=O)c1ccccc1F)C1CC1 8329179 LJDQWKMBLDEPFP-QMMMGPOBSA-N 207.248 2.354 0 40 BEAB Cc1nc(NC(=O)[C@H]2C[C@H]2C)sc1C 13021328 FIRYCVGSZAANRZ-XRGYYRRGSA-N 210.302 2.354 0 40 BEAB CCOC(=O)[C@@]12CC=CCN[C@H]1CCCC2 19530253 UYJXSESXJSHLID-AAEUAGOBSA-N 223.316 2.028 0 40 BEAB CC(C)(C)c1ccccc1NC(=O)C(=O)O 20185088 JAHRZRMWPNAJLF-UHFFFAOYSA-N 221.256 2.007 0 40 BEAB COc1ccc(NC2CCOCC2)cc1 20249496 VZHPVWDYTQYGFB-UHFFFAOYSA-N 207.273 2.286 0 40 BEAB in-vitro Cc1ccc(-c2cnc(C(=O)O)o2)cc1 20444539 XXMVZVRQPNGZEL-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB COc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1 22124010 LQSJKZGFNLJQHE-UHFFFAOYSA-N 244.250 2.159 0 40 BEAB Cc1c([C@H](C)NC(=O)C2CCCCC2)cnn1C 25006539 YUUOXKCFHTZCED-JTQLQIEISA-N 249.358 2.486 0 40 BEAB c1csc(-c2noc(Cn3ccnc3)n2)c1 29594282 RJBWDFQSAQZYDL-UHFFFAOYSA-N 232.268 2.043 0 40 BEAB CN(CCC(=O)O)Cc1ccc(Cl)cc1 32015461 FLUYOHMJRXJOOQ-UHFFFAOYSA-N 227.691 2.247 0 40 BEAB Cc1nn(C)cc1NC(=O)c1ccccc1F 32610451 FPBCUOXNPQMGAD-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB c1ccc2c(N3CCCNCC3)nsc2c1 34091287 JFQKDJUJUUPSJS-UHFFFAOYSA-N 233.340 2.096 0 40 BEAB COc1ccc(C[C@@H](C)NC2CC2)cc1 35647597 JJYLABKQLVGIPX-SNVBAGLBSA-N 205.301 2.378 0 40 BEAB CN(C)[C@@](C)(C(=O)O)c1ccccc1Cl 37357834 SSFSBZIYUHQCTL-LLVKDONJSA-N 227.691 2.201 0 40 BEAB O=C1Cc2cc(Cl)cc(Cl)c2N1 39225896 QVOBEURGNANUEC-UHFFFAOYSA-N 202.040 2.488 0 40 BEAB CC[C@H](C)C(=O)NCc1cccc(COC)c1 40108423 WYCXOXIHTPFZQN-NSHDSACASA-N 235.327 2.495 0 40 BEAB Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)no1 40465737 FPTHTVAYBCFPPD-UWVGGRQHSA-N 208.305 2.461 0 40 BEAB COc1ccc(NC(C)=O)c2cccnc12 48947989 KWNUXFMYAIYFKT-UHFFFAOYSA-N 216.240 2.202 0 40 BEAB Nc1nccc(-c2ccnc3ccccc23)n1 49109288 RUSMMOYESJSLQU-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB Oc1nc2ncccc2cc1Br 53993808 GCRNZFXJLCEVJK-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB CC(=O)OCC(=O)c1ccc(Cl)s1 61575416 KGSOHAXRZYTBBZ-UHFFFAOYSA-N 218.661 2.147 0 40 BEAB O=C(O)c1cccc2[nH]c(C3CC3)nc12 62136926 JVDNIHOFKIDFQC-UHFFFAOYSA-N 202.213 2.139 0 40 BEAB COc1cccc(-c2n[nH]c(Cl)n2)c1 64875216 BGXZRNIDGQOFNW-UHFFFAOYSA-N 209.636 2.134 0 40 BEAB CCC(CC)C(=O)NCc1c(C)noc1C 67755980 QQVALNHVPJMDBK-UHFFFAOYSA-N 224.304 2.344 0 40 BEAB Cc1ccc(C(C)(C)C)cc1[C@@H](O)CO 71511228 UUWMOGYWRJDSNN-LBPRGKRZSA-N 208.301 2.318 0 40 BEAB CC(C)CC(=O)Nc1cnn(CC(F)(F)F)c1 72243853 WGMAWYLTEPRPSQ-UHFFFAOYSA-N 249.236 2.430 0 40 BEAB CN1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72355461 SZDSNPRZUPTALK-LBPRGKRZSA-N 242.326 2.077 0 40 BEAB O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1COC2 75166500 NXMWHRRFOFGVPF-YLXGSJGQSA-N 243.306 2.090 0 40 BEAB Cc1nc([C@@H]2CCCN2CC(F)(F)F)no1 75573156 VGCNDVLDGWFWKQ-ZETCQYMHSA-N 235.209 2.077 0 40 BEAB CNCc1c(C)[nH]c2ccc(OC)cc12 82593096 XNEBHUZAXSNKQB-UHFFFAOYSA-N 204.273 2.204 0 40 BEAB C[C@H](NC(=O)[C@H]1CCC[C@H]1CN)c1ccccc1 89462783 WQVMIHUDYOMBDN-UBHSHLNASA-N 246.354 2.239 0 40 BEAB O=C1CC=C(C(F)(F)C(F)(F)F)C=N1 91252462 VJJLCCIUDHYYKA-UHFFFAOYSA-N 213.105 2.112 0 40 BEAB O=C1NC(=O)[C@@H](c2cccc(Cl)c2)S1 91690445 TURGTQILWPTNBT-SSDOTTSWSA-N 227.672 2.364 0 40 BEAB N[C@@]1(c2ccccc2)CCN(c2ccncc2)C1 95098154 NXQMUJWPYHDXJU-HNNXBMFYSA-N 239.322 2.146 0 40 BEAB C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 95973274 RORHUVKMKCVVSE-AVGNSLFASA-N 237.343 2.105 0 40 BEAB C[C@](F)(C(N)=O)c1ccc(Cl)cc1 96171625 FMFFROUIYORPIL-SECBINFHSA-N 201.628 2.010 0 40 BEAB CC(C)c1nc(Cl)c2c(ncn2C)n1 96529496 XUYABCRZCJEMGJ-UHFFFAOYSA-N 210.668 2.140 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1ccc(F)cc1 96529848 BYYSIIGQQQFDCJ-BXKDBHETSA-N 209.264 2.265 0 40 BEAB C[C@H]1C[C@@H](N(C)CC(=O)NC2CC2)CC[C@H]1C 97165333 COSFPSDXGUJKAI-MDZLAQPJSA-N 238.375 2.022 0 40 BEAB CC(=O)C(SCc1ccccc1)C(C)=O 100484428 BQBHNYXOXPLCDV-UHFFFAOYSA-N 222.309 2.466 0 40 BEAB in-vitro N[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@@H]3[C@]12c1ccccc1 103275840 OPWWFTVBORMGFH-XUKRCNFOSA-N 237.346 2.413 0 40 BEAB O=C(O)[C@H]1CC[C@@H](C2CCCCC2)NC1 107470183 NXAYXNDUQHLYJA-QWRGUYRKSA-N 211.305 2.020 0 40 BEAB Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2 147995967 CEIRCCADSFHOQD-GDNZZTSVSA-N 234.347 2.165 0 40 BEAB in-vitro CCOC(=N)c1cnccc1Br 228916652 WPYWFOHOSKGJRH-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cccc(F)c1 382672633 BVPTWAOQGSOZRA-UHFFFAOYSA-N 224.231 2.350 0 40 BEAB CC[C@H](C(=O)O)n1cc(C)c(C(F)F)n1 408715870 GBOPNQBVFKNDDR-ZCFIWIBFSA-N 218.203 2.165 0 40 BEAB Cc1ccc(OCc2cc(=N)[nH]n2C)c(C)c1 408717382 ZFNVFRFQIGMWMY-UHFFFAOYSA-N 231.299 2.029 0 40 BEAB CCOC(=O)CC(=O)Cc1ccccc1Cl 2518200 ZZYFGEUHEVFLEF-UHFFFAOYSA-N 240.686 2.405 0 40 BEAB CC[C@H](N)C(=O)N[C@H](C)c1cc(C)sc1C 37002198 QGTMAQOCPCVLBK-KCJUWKMLSA-N 240.372 2.279 0 40 BEAB O=c1[nH]c2ncccc2c(O)c1-c1ccccc1 1571950 FUANMJYCVDVCLW-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB COc1c(C)c(C)c(OC)c(CC(=O)O)c1C 1673652 UCPVQDJEOPMICH-UHFFFAOYSA-N 238.283 2.256 0 40 BEAB CCOC(=O)CCCC(=O)C(C)(C)C 2379042 RXCGRTUSZXCZBY-UHFFFAOYSA-N 200.278 2.335 0 40 BEAB O=c1c2ccccc2ncn1Cc1ccco1 373842 IUWXBYWERSAMCL-UHFFFAOYSA-N 226.235 2.038 0 40 BEAB COc1ccc(C)cc1C(=O)Nc1nncs1 21214812 VFEDLQTUINOWHJ-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB Cc1c(Cl)ccc2cc(C(=O)O)c(=O)[nH]c12 4945634 GSNBVXVFPKLPAG-UHFFFAOYSA-N 237.642 2.188 0 40 BEAB CNC(=O)c1cc2cc(C)ccc2nc1C 32855772 GYXQTSPQVQFOPL-UHFFFAOYSA-N 214.268 2.211 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)n1C 23574243 GQUKOZQOAWLTGR-GFCCVEGCSA-N 232.327 2.306 0 40 BEAB O=C(O)[C@H]1[C@@H]2C=C3CCc4cccc(c43)[C@H]21 104210036 SFWSQHBBVROHCX-RTXFEEFZSA-N 212.248 2.444 0 40 BEAB Cc1cnc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)s1 78321449 DKEXZLRLLMSIHW-XVYDVKMFSA-N 239.344 2.220 0 40 BEAB COC[C@@H](C)NCc1cc(Cl)ccc1OC 35180118 TVFDSYLPHGBJRP-SECBINFHSA-N 243.734 2.473 0 40 BEAB CCOC(=O)c1cnc2c(C)cc(F)cc2c1N 50843159 VVAKEOWHVZMVGW-UHFFFAOYSA-N 248.257 2.441 0 40 BEAB NCc1cc(-c2ccc(F)cc2F)on1 26421080 YEAOBZWPCOMYAO-UHFFFAOYSA-N 210.183 2.079 0 40 BEAB in-vitro Cc1ccccc1NC(=O)c1cnsn1 1790876 GRKUNYHWHGGADM-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB NC[C@]1(CO)C[C@H]1c1cccc(Cl)c1Cl 62713548 MJDQUHRGPPKQNS-KWQFWETISA-N 246.137 2.418 0 40 BEAB CCCCn1c(-c2cccs2)noc1=O 58485294 ULMKMOYRFJESRQ-UHFFFAOYSA-N 224.285 2.365 0 40 BEAB CC(C)COc1cccc(C(=O)N(C)C)c1 45288734 XOMULPYTWPENCK-UHFFFAOYSA-N 221.300 2.423 0 40 BEAB CO[C@H](C(=O)Nc1cccnc1)c1ccccc1 20238661 MNIGGDGFKNAQKP-ZDUSSCGKSA-N 242.278 2.408 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 12979445 VBUJCSMOXICNDW-CABZTGNLSA-N 221.275 2.440 0 40 BEAB CC(C)CNC(=O)c1coc(Br)c1 12978182 YGWIISRYTYNGAC-UHFFFAOYSA-N 246.104 2.428 0 40 BEAB Cc1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 48818257 KYQCXBXISLZSSI-LBPRGKRZSA-N 241.294 2.135 0 40 BEAB COc1cccc(C(=O)Nn2c(C)ccc2C)c1 13842808 BYDBPBDONTVUFM-UHFFFAOYSA-N 244.294 2.497 0 40 BEAB Cc1cccc(C)c1OCC(=O)N1CCCC1 6302672 OBNACNWDFHMUGG-UHFFFAOYSA-N 233.311 2.305 0 40 BEAB COC(=O)c1sc(Nc2ccccc2)nc1N 14988466 JIFKUQJTZMOTRV-UHFFFAOYSA-N 249.295 2.256 0 40 BEAB CCCCN1N=C(c2ccccc2)CC1=O 5869527 RDVWFLYMAPUPJM-UHFFFAOYSA-N 216.284 2.423 0 40 BEAB COc1ccc2ccnc(C(C)=O)c2c1 82778707 KXHXRUSXUXCKKE-UHFFFAOYSA-N 201.225 2.446 0 40 BEAB CC(C)CSCCN1C(=O)[C@@H](C)[C@H](C)C1=O 97032628 OFZIRYUZDABPHR-UWVGGRQHSA-N 243.372 2.017 0 40 BEAB Cc1ccc([C@H]2CCCN2S(C)(=O)=O)s1 71908355 URQYQPVLVVYMDY-SECBINFHSA-N 245.369 2.153 0 40 BEAB CCOCc1nn(CC(F)F)cc1Cl 408715528 VJRVDAVRQAVYCM-UHFFFAOYSA-N 224.638 2.338 0 40 BEAB CCc1cc(C=O)n(Cc2ccc(C(=O)O)o2)c1 78404985 ZYNIYQGKWSGZHV-UHFFFAOYSA-N 247.250 2.203 0 40 BEAB CCOC(=O)c1cc(-c2ccccc2OC)n[nH]1 71978735 SLOVLBDAUGVQPX-UHFFFAOYSA-N 246.266 2.262 0 40 BEAB Cc1cc(NC(C)(C)C)ncc1C(=O)O 72223965 QIMGJYKOBKEPLD-UHFFFAOYSA-N 208.261 2.299 0 40 BEAB CCC(=O)Nc1c(C)cc(C)cc1C(=O)O 44965662 AXWZZCNKAJIZQU-UHFFFAOYSA-N 221.256 2.350 0 40 BEAB O=C1NC[C@H](c2cccc(Br)c2)O1 41286219 KXRLLPOTYKCTOC-MRVPVSSYSA-N 242.072 2.230 0 40 BEAB N=C(N)Cc1cccc(C(F)(F)F)c1F 228969236 GLFQYCHHYTYPRP-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB CO[C@](CN)(c1ccccc1)C(F)(F)F 44236404 OMZTYGQMHOTWRA-SECBINFHSA-N 219.206 2.049 0 40 BEAB CC[C@@H](C(=O)O)N(CC)c1cccc(OC)c1 224997426 UAHLDOKBYIKYIE-LBPRGKRZSA-N 237.299 2.385 0 40 BEAB CC[C@H](C)[C@H](OC)C(=O)Nc1nc(C)cs1 331036076 NANNIWCFNZHGGS-CBAPKCEASA-N 242.344 2.451 0 40 BEAB CCOC(=O)c1nc2cccc(Cl)n2c1C 96320933 JPTHLEXYBDSYOL-UHFFFAOYSA-N 238.674 2.473 0 40 BEAB Nc1ccc(Sc2ccnc(N)c2)cc1 98175316 AZJKNVWNXDTUJC-UHFFFAOYSA-N 217.297 2.397 0 40 BEAB Cc1cnc(CN2Cc3cccc(F)c3C2)[nH]1 628308703 DRKVKGSEQTXLQD-UHFFFAOYSA-N 231.274 2.373 0 40 BEAB O=C(c1cncc(F)c1)N1CCC(F)(F)CC1 585380660 RTLYDOFSGSXYMB-UHFFFAOYSA-N 244.216 2.092 0 40 BEAB CC(C)(C)OC(=O)N1CC2(C1)[C@@H](O)CC2(C)C 710681237 WFUCZHRGEDILTJ-VIFPVBQESA-N 241.331 2.014 0 40 BEAB CP(C)(=O)c1cc(Br)ccc1N 1772796448 HLHOSJDOMPSXGZ-UHFFFAOYSA-N 248.060 2.279 0 40 BEAB [O-][n+]1ccn(O)c1-c1ccc(Cl)cc1Cl 5670726 YHOGPNUJBRWWLW-UHFFFAOYSA-N 245.065 2.333 0 40 BEAB Cn1ccc(Cn2cc(-c3ccccc3)cn2)n1 95450382 ZPLZKFHQDARNJQ-UHFFFAOYSA-N 238.294 2.332 0 40 BEAB COc1cccc(Cc2nc(C(=O)O)cs2)c1 20357787 SOVUUUPGIUKZMT-UHFFFAOYSA-N 249.291 2.441 0 40 BEAB in-vitro CCC[C@@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 345808 CUTUPAFHGKKFBU-NEPJUHHUSA-N 247.294 2.357 0 40 BEAB CC(C)(OC(=O)/C=C/c1ccccc1)C(=O)O 1710898 GQORSRVGORMGTM-CMDGGOBGSA-N 234.251 2.106 0 40 BEAB COCCCNC(=S)Nc1ccc(F)cc1 2160713 AQJMBARXEGLOKP-UHFFFAOYSA-N 242.319 2.149 0 40 BEAB c1ncn(C23CC4CC(CC(C4)C2)C3)n1 4762806 ZBBZETXZKFHHLA-UHFFFAOYSA-N 203.289 2.203 0 40 BEAB Cc1nc(NC(=O)NC(C)C)sc1C 5921733 RCJWNGJUTSHJOI-UHFFFAOYSA-N 213.306 2.290 0 40 BEAB CC(C)Cc1nc2ccccc2c(=O)[nH]1 6159735 GUZJGBCZBUEHTB-UHFFFAOYSA-N 202.257 2.122 0 40 BEAB CC(C)CNC(=O)NC(=O)C1CCCCC1 6634475 ZYFXJWXBKBCMFA-UHFFFAOYSA-N 226.320 2.049 0 40 BEAB COC(=O)c1sccc1NC(=O)C1CCC1 8939008 INVBFSJICFWYFB-UHFFFAOYSA-N 239.296 2.273 0 40 BEAB CCCNC(=O)c1cncn1-c1ccccc1 12535545 NIZZHEVSKOQBHD-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB Cc1cc(C(=O)Nc2cccc(F)c2)on1 12685586 HZLTUTVWPMOBGN-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB Cn1ccc(NC(=O)C2(c3ccccc3)CC2)n1 12922666 IWVLWISBWZDHQK-UHFFFAOYSA-N 241.294 2.090 0 40 BEAB O=c1nc(-c2ccco2)oc2ccccc12 15593894 KMEYOHCSBJJXSF-UHFFFAOYSA-N 213.192 2.448 0 40 BEAB Cc1c([C@@H](C)NC(=O)[C@H]2CC=CCC2)cnn1C 25001339 ZRIWVJQQFSTCRO-PWSUYJOCSA-N 247.342 2.262 0 40 BEAB c1ccc(-c2ncc(N3CCOCC3)o2)cc1 27061809 UUAAYHZMVPUNEY-UHFFFAOYSA-N 230.267 2.178 0 40 BEAB CCOc1ccccc1[C@H]1C[C@H]1C(=O)O 31829283 VZAUHNCDYIPCJR-NXEZZACHSA-N 206.241 2.273 0 40 BEAB O=C(O)c1cccc(NCc2ccccn2)c1 32015527 XOILKTOEBUSZDU-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB C[C@H]1CN(Cc2nc3ccccc3o2)[C@@H](C)CO1 32804204 CINYJUGTPIFJQO-QWRGUYRKSA-N 246.310 2.437 0 40 BEAB Cc1ccc(C(=O)NCc2ccccc2)cn1 32895315 ITSPLAIXFHSVHR-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB Cc1c(C(=O)N[C@@H](C)CO)sc2ccccc12 35204147 WEQCBXBIAFNFIP-QMMMGPOBSA-N 249.335 2.320 0 40 BEAB C[C@H](CNCc1ccccn1)Oc1ccccn1 35684105 LDGOZLDQUMPDCZ-GFCCVEGCSA-N 243.310 2.034 0 40 BEAB CCOC(=O)c1cc(-c2cccc(F)c2)n[nH]1 35956056 YDZJPZYYVAYWIS-UHFFFAOYSA-N 234.230 2.393 0 40 BEAB O=C(O)Cc1noc2cccc(Cl)c12 38435425 NPFGNRDJSKQROT-UHFFFAOYSA-N 211.604 2.108 0 40 BEAB C[C@H](OCC(F)(F)F)C(=O)NC1CCCC1 40092953 YZJWRWBGXXKXRJ-ZETCQYMHSA-N 239.237 2.013 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)c2cnn(C)c2C)o1 40487847 UCOAZCHFYMTJLD-SECBINFHSA-N 247.298 2.121 0 40 BEAB O=C(O)c1ccc(NC(=O)C2CC2)cc1Cl 42417379 CTWCQCGNRZVMLE-UHFFFAOYSA-N 239.658 2.387 0 40 BEAB in-vitro OC[C@H]1CCCN1c1ncc(Cl)cc1Cl 42434691 AWKBGAYTZZQBEU-MRVPVSSYSA-N 247.125 2.350 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccn(-c2ccccc2)n1 48331672 VZCHIDUJWUEHCE-JQWIXIFHSA-N 241.294 2.467 0 40 BEAB CC1=[N+](c2ccccc2)C=[N+](C)C(C)(C)[CH-]1 59808127 UXMCXHGLMMXNPE-UHFFFAOYSA-N 215.320 2.459 0 40 BEAB Cc1cccc(Br)c1CO 64033437 KNFRYGLEEJNMJD-UHFFFAOYSA-N 201.063 2.250 0 40 BEAB in-vitro CCOc1ccc([C@H]2CCCN2C)cn1 72211765 VXSBBWMXJVGDCY-LLVKDONJSA-N 206.289 2.247 0 40 BEAB c1cnc(NC2CC2)c([C@H]2CCCN2)c1 72213701 GYAMALRUFHABKL-LLVKDONJSA-N 203.289 2.080 0 40 BEAB CSc1ncccc1[C@H]1CCCN1C(C)=O 72216934 HUBSEXDDBUBFMQ-LLVKDONJSA-N 236.340 2.487 0 40 BEAB CCCC(=O)N1CCC(Cc2ccnn2C)CC1 72361219 ONQIDOQLCBYFGM-UHFFFAOYSA-N 249.358 2.001 0 40 BEAB Cc1cc(O)cc([C@H]2CCN(C(C)C)C2)n1 72383190 MZXVPKOHPVEWKP-NSHDSACASA-N 220.316 2.293 0 40 BEAB COc1ccc(COC(=O)c2ccco2)cn1 78949392 MRUMAGDATSULQL-UHFFFAOYSA-N 233.223 2.040 0 40 BEAB Clc1nc(N2CCCCC2)ns1 83645890 LQXVESBGROUTIH-UHFFFAOYSA-N 203.698 2.182 0 40 BEAB Nc1nc2cc(Br)c(F)cc2[nH]1 85107344 KYGRKXWJONRITO-UHFFFAOYSA-N 230.040 2.047 0 40 BEAB CCS(=O)(=O)N(C)C1CCC(C)(C)CC1 88280137 NVWLAZBWZQBCKZ-UHFFFAOYSA-N 233.377 2.237 0 40 BEAB Cc1cccc(-c2noc(CSC(=N)N)n2)c1 89261509 IHLRLLJULCARQE-UHFFFAOYSA-N 248.311 2.172 0 40 BEAB COc1cc(Br)cc(F)c1CO 90413230 VJIVZQRKYGYLPN-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CCCN1CCCN(Cc2ccco2)CC1 92659692 SSKVJBRNJMYTOQ-UHFFFAOYSA-N 222.332 2.197 0 40 BEAB Cc1ccc([C@@H](C)NCc2noc(C)n2)o1 96502745 MAEQBWCOANFHJX-MRVPVSSYSA-N 221.260 2.130 0 40 BEAB O=C(O)[C@@]12CC[C@@H](C[C@H]1Br)C2 101720082 YOBWYLCYNUIVKF-SHYZEUOFSA-N 219.078 2.025 0 40 BEAB in-vitro C[C@H]1[C@@H](O)CCCN1Cc1ccccc1 107242047 ZFJGRVQFTNBLRP-AAEUAGOBSA-N 205.301 2.032 0 40 BEAB in-vitro Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cl 137764460 VTYUFEHTUYSFDC-UHFFFAOYSA-N 248.673 2.004 0 40 BEAB CCOC(=O)c1cc2cc(F)ccc2nc1O 142976421 LMLBXTDEJROARE-UHFFFAOYSA-N 235.214 2.256 0 40 BEAB O=C1NCCC[C@H]1Cc1cccc(Cl)c1 157319185 BVIRMSZHMYKROL-JTQLQIEISA-N 223.703 2.409 0 40 BEAB Cc1cc(C)cc(OC[C@H]2COC(=O)O2)c1 169797537 GGXCUHILWCWACQ-NSHDSACASA-N 222.240 2.218 0 40 BEAB COc1c(C(=O)O)ccc(F)c1Br 214488321 NXOMAXPQOYEZAP-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB CCCc1ccc(CNCCCOC)n1C 226020693 JWTNVBPXIYJZNF-UHFFFAOYSA-N 224.348 2.104 0 40 BEAB CCn1cc(CNc2nn(CC)cc2C)cn1 256051196 ICGMEWDDNJRXEU-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB Cc1oc(-c2cccc(F)c2)nc1CO 409422410 FNFDWMTWEDHAON-UHFFFAOYSA-N 207.204 2.281 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCc2oncc2C1 575424847 PCZRDPUQBPEFQP-VIFPVBQESA-N 238.287 2.057 0 40 BEAB C[C@@H](c1ncccn1)N1CC2(C1)CC(F)(F)C2 930125443 GFWGAAGWDZNAJN-VIFPVBQESA-N 239.269 2.269 0 40 BEAB Cc1cccc(Nc2ccc3nccn3n2)n1 952993429 UQWXFLKPDLPGBR-UHFFFAOYSA-N 225.255 2.176 0 40 BEAB Cc1cc(-c2sccc2C)nc(N)n1 2509224 IKUKXBARAREVFJ-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB c1ccc2cc(CN3CCNCC3)ccc2c1 20790799 FDVCUOJHWRHXMF-UHFFFAOYSA-N 226.323 2.245 0 40 BEAB in-vitro CC(C)c1ccc(-n2cc(O)c(C(=O)O)n2)cc1 37010702 DCYGDFVXIAZLKG-UHFFFAOYSA-N 246.266 2.400 0 40 BEAB in-vitro COC(=S)c1ccc(C(=S)OC)cc1 1567490 UCPFTYGLTPVKJN-UHFFFAOYSA-N 226.322 2.330 0 40 BEAB COc1cc(C(=O)O)c(O)c(C(C)(C)C)c1 1673130 XDEGFEIFKRWJQI-UHFFFAOYSA-N 224.256 2.397 0 40 BEAB CN[C@H](CCCC1CCCCC1)C(=O)O 1724690 WDRCCBXCNBGPBV-LLVKDONJSA-N 213.321 2.410 0 40 BEAB CC1(C)O[C@@H]2Cc3ccccc3C[C@H]2O1 345582 BVOIEXZNCZPVRO-VXGBXAGGSA-N 204.269 2.305 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)c1ccnc(F)c1 41039632 GIGXWKQKUUOQEJ-SECBINFHSA-N 248.257 2.175 0 40 BEAB CC1(C)[C@]2(C)CC[C@]1(CC(=O)O)C[C@@H]2O 103611299 AALGVLMQGQLLPJ-XXILOJSOSA-N 212.289 2.038 0 40 BEAB CC(C)(C)C1CCC2(CC1)OC(=O)CC(=O)O2 59488092 IHAJWPMAZVVWML-UHFFFAOYSA-N 240.299 2.409 0 40 BEAB FC(F)(F)Oc1ccc(CC2CNC2)cc1 77319808 VLKLWKNAFARLJA-UHFFFAOYSA-N 231.217 2.347 0 40 BEAB in-vitro Cc1nc(C(C)(C)C)oc1CCC(=O)O 108274521 UDAWWLYQCCXVEH-UHFFFAOYSA-N 211.261 2.298 0 40 BEAB Cc1ccsc1C(=O)NCCCn1cccn1 27928544 JSYUAVZIMDTAGX-UHFFFAOYSA-N 249.339 2.073 0 40 BEAB Cc1c(CCN[C@@H]2C[C@H]3CC[C@H]2C3)cnn1C 110703336 XYOPEMZCERWFMW-SGMGOOAPSA-N 233.359 2.049 0 40 BEAB CC(C)OCc1ccnn1CC(F)F 408717224 XBQHBHDJUNAASS-UHFFFAOYSA-N 204.220 2.073 0 40 BEAB S=C(NC1CC1)N(Cc1ccco1)C1CC1 9482014 ILSSCKSDQURENN-UHFFFAOYSA-N 236.340 2.281 0 40 BEAB CCc1nsc(NCc2cc(C)no2)n1 83654975 NTKDEZHOKGXDRA-UHFFFAOYSA-N 224.289 2.009 0 40 BEAB O=C(/C=C/c1ccccc1)OCc1cnccn1 71916413 LUCRGTUCTJXUKL-VOTSOKGWSA-N 240.262 2.233 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@H]2[C@@H](C)N)c1 20594417 DPZMVJPIWKFHMT-MIMYLULJSA-N 221.300 2.155 0 40 BEAB c1ccc(CN2CCN[C@@H]3CCCC[C@@H]32)cc1 72210181 VQTUQZIOKKIGLU-CABCVRRESA-N 230.355 2.403 0 40 BEAB in-vitro O=C1CCC(=O)N1Cc1cccc2ccccc12 95348847 ONCLMQYJWAAYMK-UHFFFAOYSA-N 239.274 2.489 0 40 BEAB CCCOC(=O)[C@@H](C)Sc1nnc(C)s1 95961275 ZIXLOGBTIFKKTD-ZCFIWIBFSA-N 246.357 2.280 0 40 BEAB O=C(O)[C@H]1C[C@@H]1c1nc2ccccc2s1 34926278 QENQUKIOSLLIGG-BQBZGAKWSA-N 219.265 2.484 0 40 BEAB CCOC(=O)CCCOc1ccc(C=O)cc1 34577085 QELMYVTXAHKHBG-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB Cc1ccc(N2C[C@H](C)O[C@H](C)C2)c(N)c1 37401118 PZXZVDPNQRDPIG-PHIMTYICSA-N 220.316 2.191 0 40 BEAB CN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 37181105 BVSAQLHXQSTNAO-MRVPVSSYSA-N 234.082 2.339 0 40 BEAB C[C@@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CCC(=O)O 72207286 KXIHOSNFVBVESP-GAIPPQHRSA-N 212.289 2.038 0 40 BEAB CCCN1CCC[C@H]1c1c[nH]c(=O)c(C)c1 72217960 AGJVINAMUDZKQN-LBPRGKRZSA-N 220.316 2.230 0 40 BEAB NC(=S)c1cc(F)ccc1Br 83360530 HEEWRSZKGCJXTN-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB Cc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@@H]1N 85358702 SVSCFRAVBPZHFQ-KGLIPLIRSA-N 246.354 2.081 0 40 BEAB COc1ccc(-n2cnc(C)c2C)cc1 225793380 DRMLCJKTQOIBPH-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB CCC[C@@H]1CCC(=O)[C@H](C(=O)OCC)C1 43651397 XIPCNPGUFDSAMZ-NXEZZACHSA-N 212.289 2.335 0 40 BEAB CCc1cnccc1C(=O)OC[C@@]1(C)CCCO1 97374832 IIGNKHCYBHDIDZ-CQSZACIVSA-N 249.310 2.370 0 40 BEAB CCC(=O)[C@H](C#N)c1nc2ccccc2n1C 11535545 CATMPQWCQFUKSU-VIFPVBQESA-N 227.267 2.160 0 40 BEAB Oc1cnc2c(c1)CN(Cc1ccccc1)CC2 95097383 HCPCPXTYFIXVOA-UHFFFAOYSA-N 240.306 2.346 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]1NC1CCCC1 95919675 LXARRZSKDGTANC-NEPJUHHUSA-N 225.332 2.250 0 40 BEAB Cc1cnn(C)c1NCc1cn(C(C)C)nc1C 256054334 VXHKCEWZAZKART-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CCCNC(=O)CSc1ccc(F)cc1 58080383 AKLUNMMNOFPWEG-UHFFFAOYSA-N 227.304 2.444 0 40 BEAB COc1ccc(CN[C@@H](C)c2nccn2C)cc1 70443330 CZTLCGSTSPCWKW-NSHDSACASA-N 245.326 2.280 0 40 BEAB O=C(O)c1cccc([C@H]2CCCCN2)c1 75869122 WZMCLPOONMWUFX-LLVKDONJSA-N 205.257 2.199 0 40 BEAB CC[C@@H](OC)n1ncc2ccc(N)cc21 95628558 NCAVQMRGGFPRDM-LLVKDONJSA-N 205.261 2.174 0 40 BEAB Cc1cnc(C(=O)Nc2cnccc2C)c(F)c1 1889104440 YBJZSJVENUKGCS-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB O=C(c1ccccn1)N1[C@H]2C=CC[C@H]1CC2 208012421 PIFUUSVNWMUHLT-QWRGUYRKSA-N 214.268 2.015 0 40 BEAB COc1ncnc2c1[nH]c1cccc(OC)c12 5561714 XCVQDTKHUVMOFA-UHFFFAOYSA-N 229.239 2.128 0 40 BEAB O=C(NC1CC1)[C@@H]1CCCc2ccccc21 12908799 POCAQJPFEIHGGF-CYBMUJFWSA-N 215.296 2.385 0 40 BEAB COC(=O)CC1CCN(Cc2ccco2)CC1 15423846 VGJCCWLNJFIDLD-UHFFFAOYSA-N 237.299 2.055 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(Cl)ccc1N 20155189 LGJZMWZAGFGREJ-SSDOTTSWSA-N 226.707 2.451 0 40 BEAB Cc1cccc(-n2ncc(C(=O)O)c2C)c1 15583190 AYSRSCFNOFICJX-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB in-vitro Cc1cc(C)n(C[C@@H](O)CCc2ccccc2)n1 146643058 XLKXBZWJWXDQNP-HNNXBMFYSA-N 244.338 2.494 0 40 BEAB Cc1cc([C@@H](O)CNC(=O)C(C)(C)C)c(C)o1 1565519836 PPJQWFZLAYAXHG-NSHDSACASA-N 239.315 2.092 0 40 BEAB O=C(O)c1cc(Cc2cc(F)ccc2F)on1 114794571 XPDBSSSZESBVMA-UHFFFAOYSA-N 239.177 2.242 0 40 BEAB CNc1cc(C)nc(NCc2ccccc2)n1 73447 IYZAGBACYJRHIP-UHFFFAOYSA-N 228.299 2.439 0 40 BEAB Nc1ccccc1-c1nnc2n1CCCCC2 189976 VFBYIWGNEQPFKZ-UHFFFAOYSA-N 228.299 2.254 0 40 BEAB in-vitro CCc1cc2c(=O)[nH]c(SC)nc2s1 387975 UMSFICIFOLLTRV-UHFFFAOYSA-N 226.326 2.269 0 40 BEAB Cc1ccc(Nc2cc(C)nc(N)n2)cc1 1681555 SLJTXASFHQWRNM-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB O=C(Nc1nc(=S)ss1)C1CC1 3104319 NSXWOQJAJDBHEZ-UHFFFAOYSA-N 218.328 2.283 0 40 BEAB CCOCCC(=O)Nc1nnc(C(C)C)s1 4815743 JEEZNLCTYPIPET-UHFFFAOYSA-N 243.332 2.027 0 40 BEAB Cc1ccc(NC(=O)NC[C@@H](C)O)cc1Cl 6071235 RBKPCJJEFJPCTB-MRVPVSSYSA-N 242.706 2.151 0 40 BEAB OC[C@H](O)COc1ccc(-c2ccccc2)cc1 6116733 IMXUYOYYNZMNDM-AWEZNQCLSA-N 244.290 2.086 0 40 BEAB C[C@@H]1Cc2cc(CNC[C@H]3CCCO3)ccc2O1 6679757 BVJLJADGPBUSCS-BXUZGUMPSA-N 247.338 2.279 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)C(F)(F)F 6691889 FVDCYOGKIQCTKH-XLPZGREQSA-N 221.222 2.101 0 40 BEAB CCC(=O)Nc1ncccc1Br 6910299 MNBFERGNPPCOKI-UHFFFAOYSA-N 229.077 2.193 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(C(=O)OC)cc1 10454580 CECRBQBLPXOMTO-VIFPVBQESA-N 235.283 2.002 0 40 BEAB CCNCCCN(C)Cc1ccccc1 19736990 DEWAPMCDNKXPOL-UHFFFAOYSA-N 206.333 2.118 0 40 BEAB O=C(Cc1ccccc1F)NCc1cccnc1 19897689 UNAPYNVNLBWBMP-UHFFFAOYSA-N 244.269 2.080 0 40 BEAB Cc1nc(NC(=O)OC(C)(C)C)ccc1CN 20357683 SYJCYUZKILRBSA-UHFFFAOYSA-N 237.303 2.196 0 40 BEAB O=C1Nc2c(cc(Cl)cc2C(F)(F)F)C1=O 22223418 WBEGSXWHZFUWGE-UHFFFAOYSA-N 249.575 2.494 0 40 BEAB CC[C@H]1COC(=O)N1c1cccc(OC)c1 26897098 KYHFLXXIPMRXGE-VIFPVBQESA-N 221.256 2.430 0 40 BEAB CCCn1ccc(C(=O)Nc2cccc(C)n2)n1 27971516 NFBUUVDQLBFRQZ-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB CCOc1ncccc1C(=O)N[C@H](C)CC 32666548 BRQBZYQYZRPHMK-SECBINFHSA-N 222.288 2.009 0 40 BEAB O=C(Cn1cccn1)N1CCC[C@@H]2CCCC[C@H]21 32903898 CUXQUDCXAPCFDD-QWHCGFSZSA-N 247.342 2.064 0 40 BEAB Cc1ccc(C(=O)NCC2CC2)cc1C 32909805 HDWBKKFDQJTALP-UHFFFAOYSA-N 203.285 2.443 0 40 BEAB COC(=O)c1ccc2oc(C=O)cc2c1 34530028 JBRMREDVKAJQAF-UHFFFAOYSA-N 204.181 2.032 0 40 BEAB CCOC(=O)CCOCc1ccc(OC)cc1 36985612 SDERCAFEELAFRR-UHFFFAOYSA-N 238.283 2.165 0 40 BEAB in-vitro COc1cccc([C@@H]2CCCNC2)c1F 38539366 OYSAFOLZYIOWIQ-SECBINFHSA-N 209.264 2.301 0 40 BEAB O=C(O)c1cncn1-c1cccc(Cl)c1 39320526 HQSDWQAUKDIXEW-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB COCC(=O)N[C@H](c1cccs1)C(C)C 39985598 DTLNAYBRGYTKNZ-NSHDSACASA-N 227.329 2.208 0 40 BEAB Cc1ccc(COC[C@H]2CCNC2)cc1 42772042 URSUJPODQBIQKH-ZDUSSCGKSA-N 205.301 2.121 0 40 BEAB O=C(O)c1cncc(-c2ccc3c(c2)CCO3)c1 49628929 MWENGLGTBLDDKQ-UHFFFAOYSA-N 241.246 2.382 0 40 BEAB in-vitro Cc1nc(CNC(=N)NC2CCCC2)cs1 50285681 PJCYOBIJXTZNHC-UHFFFAOYSA-N 238.360 2.008 0 40 BEAB Cc1ccc(CNCCCN(C)C)cc1 57322200 PMZYIQVZCOOCPL-UHFFFAOYSA-N 206.333 2.036 0 40 BEAB Cc1ccc(C[C@H](C(=O)O)N2CCCC2)cc1C 57536421 LDPYYAQJOFNJGE-CQSZACIVSA-N 247.338 2.395 0 40 BEAB OC[C@@H](NC1CCSCC1)c1ccccc1 62999855 ACRWCSQMWDFSMK-CYBMUJFWSA-N 237.368 2.205 0 40 BEAB CCOc1ccc(/C=C/C(=O)N2CCC2)cc1 69323611 JZFMYCLZCLHGMO-RMKNXTFCSA-N 231.295 2.331 0 40 BEAB CCCC[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C 69550812 HYGQYTQHPSQSFF-SECBINFHSA-N 245.319 2.497 0 40 BEAB in-vitro CN1CCC(C)(NCc2ccccc2)CC1 72210169 KLKNBHJUFAHFAA-UHFFFAOYSA-N 218.344 2.261 0 40 BEAB COc1cc(C)c([C@@H]2CCCCN2C=O)cn1 72218048 BHIXJWYAGUGYAA-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB CC(C)n1c(N)nnc1SCC1CCC1 83839306 QNMKUICIZRJPSL-UHFFFAOYSA-N 226.349 2.333 0 40 BEAB C[C@H]1C[C@H]1c1ccc(CNC(=O)C2CC2)o1 84688999 IQMZEYDKCVLGQZ-GZMMTYOYSA-N 219.284 2.429 0 40 BEAB Cc1cc(N)c2ccc(C=O)nc2c1F 85399786 VIQOKBWISTYKRL-UHFFFAOYSA-N 204.204 2.077 0 40 BEAB CC(C)(C)C1CCC([C@@H](O)C(=O)O)CC1 85446481 LMASIWKHEKAGMQ-UDNWOFFPSA-N 214.305 2.284 0 40 BEAB CCOC(=O)[C@@H]1CCCN(CC2CCC2)C1 88135569 RUAQAAKEPZKNGH-GFCCVEGCSA-N 225.332 2.062 0 40 BEAB O=C(O)c1cccc(C(=O)N[C@@H]2CC=CCC2)c1 88749719 ZZSXDMIMZRXTCV-GFCCVEGCSA-N 245.278 2.223 0 40 BEAB COc1ccc2c(c1)OCCC[C@H]2NC(C)=O 94992634 SFKVWTHLMQTRCF-GFCCVEGCSA-N 235.283 2.045 0 40 BEAB COC1CC(OC(=O)c2ccc(C)cc2)C1 95944503 PUCPDTSJTAKJHU-UHFFFAOYSA-N 220.268 2.329 0 40 BEAB COC(=O)c1cc(C(C)C)c(O)cc1O 96029099 NAOCXJWZGXUTCQ-UHFFFAOYSA-N 210.229 2.008 0 40 BEAB Cc1cscc1C(=O)NCC(=O)c1ccco1 97107426 LLSQECLBHPBMHS-UHFFFAOYSA-N 249.291 2.262 0 40 BEAB CSC1=NCCN1C(=O)CC1=CCCCC1 98018662 AMDNJPPVJCJOMH-UHFFFAOYSA-N 238.356 2.438 0 40 BEAB CC[C@](C)(C(=O)O)c1cccc(OC)c1 107205569 ZMTNFOPFDAFRDY-LBPRGKRZSA-N 208.257 2.448 0 40 BEAB COC(=O)c1cc(N)c(OC(C)C)cc1Cl 117110082 BDAPDTNBQKFHBO-UHFFFAOYSA-N 243.690 2.496 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccccc1F 126630301 KVUOSEPUSAHMKX-VHSXEESVSA-N 208.232 2.492 0 40 BEAB CC(=O)c1ccc(O[C@H]2CCCO2)cc1 206268203 UVNMJKMSXURPNB-LBPRGKRZSA-N 206.241 2.405 0 40 BEAB COc1cccc(CNc2cc(C)nn2C)c1 237238574 JQYOMBJPZHPZAT-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB c1cnc(Nc2nc([C@H]3CCCN3)cs2)cn1 257302060 SBFLAKYCOSPCOL-MRVPVSSYSA-N 247.327 2.101 0 40 BEAB Cc1cc(C(=O)NC[C@@]2(O)C=CCCC2)c(C)o1 585146649 WUTNWKYDXCIASS-CQSZACIVSA-N 249.310 2.097 0 40 BEAB FC(F)(F)Oc1ccccc1Cn1ccnn1 1775995423 UWCKKYBVWWHLPS-UHFFFAOYSA-N 243.188 2.225 0 40 BEAB CCOC(=O)CCC(=O)c1ccccc1OC 2243623 FUFBZYFYTPPYLG-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB COc1ccc(-c2cc[n+]3ccccc3n2)cc1 2556054 FFAULRDRKRBRJQ-UHFFFAOYSA-N 237.282 2.496 0 40 BEAB CC(C)(C)OC[C@H](O)CNCc1cccs1 2655067 FLOCHDHJXGINOB-SNVBAGLBSA-N 243.372 2.014 0 40 BEAB Cn1ccc(NC(=O)c2ccccc2Cl)n1 2795526 GIJRQSCZJBVAAI-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB C[n+]1nsc(Cl)c1-c1ccccc1 3844453 PHAYNYBYGWIHHN-UHFFFAOYSA-N 211.697 2.288 0 40 BEAB COc1cc2c(c([N+](=O)[O-])c1OC)C[C@H]1C[C@@H]21 4593369 QEIJOZIJVWLNGV-RNFRBKRXSA-N 235.239 2.272 0 40 BEAB CC[C@@H]1SC2=NC(C)(C)CC(C)=NN2C1=O 5468995 ZTSCETNURZPVPI-QMMMGPOBSA-N 239.344 2.255 0 40 BEAB Cc1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 7636275 LWOHFRGZWYFRBJ-LBPRGKRZSA-N 237.343 2.123 0 40 BEAB CC(C)(N[C@@H]1C=Cc2ccccc21)C(=O)O 8730714 FVXZTTAHKRDTIN-LLVKDONJSA-N 217.268 2.207 0 40 BEAB Cc1cc(=O)[nH]c2c1cnn2C1CCCC1 12505318 OWTCGDKEYSLZEF-UHFFFAOYSA-N 217.272 2.148 0 40 BEAB Cc1ccc(NC(=O)C2CCC2)cc1N 19430133 SBQRYEAQTVBICJ-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB CCNCCc1nc2cc(Cl)ccc2[nH]1 19737149 RZNPJNLGONWEDQ-UHFFFAOYSA-N 223.707 2.368 0 40 BEAB O=C(O)[C@@H]1Cc2ccc(Cl)cc2S1 20285445 CDZHZOSUCIBINM-QMMMGPOBSA-N 214.673 2.441 0 40 BEAB C[C@@H](Oc1cccc(N)c1)C(=O)NC1CCCC1 20388478 JIWNFMSFJPSUKF-SNVBAGLBSA-N 248.326 2.095 0 40 BEAB C[C@@H]1CC[C@H](NCCN2CCCCC2)C1 22455344 OIFGPLMAELDRMO-OLZOCXBDSA-N 210.365 2.251 0 40 BEAB c1ccc2c(c1)CCN(CCC1CCNCC1)C2 34972500 NVLVMHJPPJMYRO-UHFFFAOYSA-N 244.382 2.434 0 40 BEAB CSc1ccccc1C(=O)Nc1cn[nH]c1 35237410 NLPWLPVAFXFNOK-UHFFFAOYSA-N 233.296 2.384 0 40 BEAB CSc1nnc(C(F)(F)F)s1 40448242 ULROOIOMHZXHRY-UHFFFAOYSA-N 200.210 2.279 0 40 BEAB COc1ccc2c(c1)/C(=C/C(=O)O)CC2 41212493 AGSMHSCYVKXYDK-RMKNXTFCSA-N 204.225 2.109 0 40 BEAB in-vitro COC(=O)CCC(=O)c1ccc(F)cc1F 42287994 CJNBNQCPLBIQFX-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB CC[C@@H](C)[C@@H](N)CN(CC)Cc1ccncc1 42516907 RXTNZCKMPYFWTC-OCCSQVGLSA-N 235.375 2.277 0 40 BEAB O=C(c1cc(F)ccc1F)N1CCSCC1 44954951 CAQWKVMEAONOBI-UHFFFAOYSA-N 243.278 2.154 0 40 BEAB NC(=O)CN(Cc1ccccc1)C1CCCCC1 47659379 XKSRLBSDIHAZRE-UHFFFAOYSA-N 246.354 2.307 0 40 BEAB CC(=O)c1cccc(Nc2cc(N)nc(C)n2)c1 49467322 SZPVBYAYCIREFI-UHFFFAOYSA-N 242.282 2.313 0 40 BEAB CC(=O)c1sc(Br)nc1C 57939658 RZEIEXBCYWPGCZ-UHFFFAOYSA-N 220.091 2.417 0 40 BEAB COC(=O)c1ccc(CN2CCC(C)CC2)o1 58875020 MBYWQCSUMOIKEY-UHFFFAOYSA-N 237.299 2.298 0 40 BEAB OCc1c[nH]c2c(Br)cccc12 59731627 ZPXMRMCHYPUOKZ-UHFFFAOYSA-N 226.073 2.423 0 40 BEAB C[C@@H](NCC1CC1)c1ccc(-n2cncn2)cc1 66970250 OBEOSVWWHJHCEN-LLVKDONJSA-N 242.326 2.328 0 40 BEAB C[C@@H](c1ccccc1)N(C)C(=O)c1cnn(C)c1 68527725 BJPCGUVPEWVHNS-NSHDSACASA-N 243.310 2.253 0 40 BEAB NCCc1c[nH]c(-c2ccc(Cl)cc2)n1 71524052 IUEPMXQFZCSVRU-UHFFFAOYSA-N 221.691 2.231 0 40 BEAB CC[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 72208633 XSXPDTDOTYDGDD-ZJUUUORDSA-N 229.320 2.157 0 40 BEAB CCCCn1cc(C(=O)O)cc1C(C)=O 78404520 PRZBMTHDIUJMRC-UHFFFAOYSA-N 209.245 2.189 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCc1cccc(N(C)C)c1 84686922 BHOUCIBMVXXFAC-GXFFZTMASA-N 232.327 2.025 0 40 BEAB COC(=O)CCCC(=O)c1cc(F)cc(F)c1 95729477 HILIRYCSXMICCM-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB COc1ccc(C(=O)C(F)F)cc1F 95916930 XAAWPKMBKZVXIK-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB Cc1ccc(C(=O)OCC[C@@H]2CCCO2)o1 97011900 YNVAUMIQOWROBR-JTQLQIEISA-N 224.256 2.314 0 40 BEAB O=C(OCCF)c1ccnc(OC2CCC2)c1 97234710 HRCKGLKKIZMYCG-UHFFFAOYSA-N 239.246 2.139 0 40 BEAB NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 125730350 YNEJIZAVWXWMTA-IUCAKERBSA-N 240.100 2.038 0 40 BEAB COc1cc([C@H](O)C(F)(F)F)ccc1F 197838938 UZGRZOARWCKUEH-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CNC(=O)c1ccc(N2CCCCCC2)c(N)c1 212191085 NYHPGOGXONZEGW-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB Fc1ccc(N2CCN[C@H]3CCC[C@H]32)c(F)c1 218848462 DDGNWRZUMOVSQJ-WCQYABFASA-N 238.281 2.296 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1 218856737 LRGCLQBNHQXGJI-OLZOCXBDSA-N 222.307 2.185 0 40 BEAB COC(=O)c1cccc2nc(OC)ccc12 224581027 LYUXMNAQICVGRV-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB COCCc1ccc(C(=O)O)n1CC(C)C 226030354 LOXVTMWVLIQSPT-UHFFFAOYSA-N 225.288 2.031 0 40 BEAB Cc1c(NCc2ccnn2CC(C)C)cnn1C 256050949 HDSDORAWIXXLHA-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB N[C@H](CC(=O)O)c1cccc(-c2ccccn2)c1 575440245 FLHWGNSGGWSTCW-GFCCVEGCSA-N 242.278 2.223 0 40 BEAB O=C(O)c1c(Cl)nsc1Br 1505839877 NZRSARAZGYANPD-UHFFFAOYSA-N 242.481 2.257 0 40 BEAB Cc1cc(N2CCC[C@@H](CF)C2)n2nccc2n1 1888853571 GKSVLUVPDVGHQD-NSHDSACASA-N 248.305 2.224 0 40 BEAB Cn1cnc(-c2cc(F)cc(Cl)c2)n1 2362801606 LBJKYNBFCDDZAJ-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB Cc1ncn(-c2c(Cl)cncc2Cl)n1 2362803487 DUUWGVVRSBBCJF-UHFFFAOYSA-N 229.070 2.278 0 40 BEAB CCC[C@@]1(C)NC(=O)c2ccccc2O1 50621 WKIAUWGQCZGVMH-LBPRGKRZSA-N 205.257 2.325 0 40 BEAB C[C@H](Cc1ccccc1F)N1CCC[C@@H](O)C1 213655 TUISGIQGIFZXPD-DGCLKSJQSA-N 237.318 2.213 0 40 BEAB CC(C)n1cc(NC(=O)c2ccncc2)cn1 1428559 ZNFRVIMVHNBDRU-UHFFFAOYSA-N 230.271 2.111 0 40 BEAB CCCC[C@]1(CC)S[C@@H](CC)C(=O)NC1=O 1751840 XTKVQQVNYFVKHI-CABZTGNLSA-N 243.372 2.494 0 40 BEAB Cn1cc(-c2nnc(-c3cccs3)o2)cn1 2731245 XRXYKUBWIBZZJU-UHFFFAOYSA-N 232.268 2.199 0 40 BEAB CCN(CC)C(=O)/C=C/c1ccccc1O 3162870 BGUVUPQHCJEUST-MDZDMXLPSA-N 219.284 2.274 0 40 BEAB [O-][n+]1ccccc1[C@H](O)CSc1ccccc1 6575513 DWJKPXUEFBGMBG-CYBMUJFWSA-N 247.319 2.146 0 40 BEAB CCCS(=O)(=O)Nc1ccc(OCC)cc1 8195539 YTYUCOXGFHCYOR-UHFFFAOYSA-N 243.328 2.237 0 40 BEAB Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2 12803926 ZFSVZZUTELKOKO-BQBZGAKWSA-N 219.210 2.499 0 40 BEAB CCN(CC)CCN1Cc2ccccc2C1 19366120 ZLAHMPYKIVXKFE-UHFFFAOYSA-N 218.344 2.344 0 40 BEAB O=C1CC2(CCOCC2)Oc2ccccc21 19374578 MPBSZIUSQNFHKB-UHFFFAOYSA-N 218.252 2.201 0 40 BEAB N=C(N)COc1ccccc1C(F)(F)F 19471087 JKOVBGMTLOUXKH-UHFFFAOYSA-N 218.178 2.020 0 40 BEAB CN(C[C@@H]1CCCCN1)c1ccccc1 19485295 IWLZJGQBGKKYCM-LBPRGKRZSA-N 204.317 2.265 0 40 BEAB Cc1nn(C)c(C)c1CNCCc1ccccc1 20089826 FZYWSJYZWJKYPS-UHFFFAOYSA-N 243.354 2.369 0 40 BEAB CCCCN(C)C(=O)c1n[nH]c2ccccc12 25612370 LYTFKZPZHZOTNM-UHFFFAOYSA-N 231.299 2.435 0 40 BEAB Cc1ccccc1-n1ncc2c(C)nnc(O)c21 26421646 JPELQTIISBQHJA-UHFFFAOYSA-N 240.266 2.138 0 40 BEAB CCCCOC(=O)[C@@H](C)Oc1cccc(N)c1 31896815 DULSGWDGTWTGER-SNVBAGLBSA-N 237.299 2.379 0 40 BEAB NC[C@@H](c1ccccn1)c1ccccc1F 32013102 QAXTUYJBHKSPKK-LLVKDONJSA-N 216.259 2.311 0 40 BEAB O=C1[C@H]2CC[C@@H]1Cc1cc(O)ccc1C2 32915217 JZHXIHHXODNANH-VHSXEESVSA-N 202.253 2.086 0 40 BEAB NCCCc1ccc(OC(F)(F)F)cc1 35321562 NMMRPWQPYYIKRW-UHFFFAOYSA-N 219.206 2.477 0 40 BEAB CC1(C)COCCN1C(=O)CCc1ccccc1 36102005 IWVPJXNSDGNROB-UHFFFAOYSA-N 247.338 2.257 0 40 BEAB C[C@@]1(C(=O)NCC2CCC2)CC1(Cl)Cl 36391356 WKCAYBFXMQZNHU-VIFPVBQESA-N 236.142 2.487 0 40 BEAB C[C@](C(=O)O)(c1ccccc1)N1CCCCC1 37361812 NMCQKSSXSWXZOO-CQSZACIVSA-N 233.311 2.472 0 40 BEAB Cc1cccc([C@H](CN)N2CCCCC2)c1 38809141 MUCTYFFCYRIBAA-AWEZNQCLSA-N 218.344 2.481 0 40 BEAB Cc1ccc(-n2nnc3c(Cl)ncnc32)cc1 39251791 CJKLURROMFYAGR-UHFFFAOYSA-N 245.673 2.172 0 40 BEAB CCOC(=O)C(=O)CCc1ccc(Cl)cc1 39419907 VUMFPMBWHQNWKS-UHFFFAOYSA-N 240.686 2.405 0 40 BEAB CC(=O)NCCSCc1ccccc1 39648482 ZOPLJTNSBKCWEK-UHFFFAOYSA-N 209.314 2.056 0 40 BEAB Cc1ccn2cc(C(=O)NCC(C)C)nc2c1 40007597 ILPTUMKCDBAKNF-UHFFFAOYSA-N 231.299 2.029 0 40 BEAB Fc1cc(F)cc(COC[C@H]2CCCNC2)c1 42782997 VQIFAOBXLWWHJF-JTQLQIEISA-N 241.281 2.481 0 40 BEAB O=C(NCC1CCCC1)Nc1nccs1 43160252 UQSRRWXMDVNLIU-UHFFFAOYSA-N 225.317 2.455 0 40 BEAB CC(=O)N(C1CC1)[C@H](C)c1ccccn1 47178021 STQACGCOGOJIDC-SECBINFHSA-N 204.273 2.154 0 40 BEAB Cc1ccc(Oc2cc(Cl)nc(N)n2)cn1 48354961 LDSYIRABIIRGNC-UHFFFAOYSA-N 236.662 2.208 0 40 BEAB O=C(NCCCOCC1CC1)c1ccccc1 61553958 BKVWVVABELMJPZ-UHFFFAOYSA-N 233.311 2.233 0 40 BEAB Fc1ccccc1CN1CCCN2CCC[C@@H]2C1 65564107 ALJAGKWWRPIPBH-CQSZACIVSA-N 248.345 2.496 0 40 BEAB NCCc1ccc(OCc2ccccc2)c(O)c1 65734638 VEOXVIUXSFRYTN-UHFFFAOYSA-N 243.306 2.472 0 40 BEAB in-vitro COc1ccc(C(=O)NC(C)(C)C)cc1F 70243128 VUWOALHFBKFALZ-UHFFFAOYSA-N 225.263 2.363 0 40 BEAB CCc1n[nH]c(Sc2ccc(N)cc2)n1 70462264 ATAZWPXBQKQMAJ-UHFFFAOYSA-N 220.301 2.101 0 40 BEAB CCOC[C@@H](O)CN(C1CCCCC1)C1CC1 71904851 IJDDHXXWYGHNSI-AWEZNQCLSA-N 241.375 2.181 0 40 BEAB Fc1ccc2[nH]cnc2c1Br 75759726 RFGYJBOPQDDBFC-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CC(C)(C)OC(=O)N1CCCC(=O)CCC1 83250302 OHBOOHCNAFIGLR-UHFFFAOYSA-N 227.304 2.367 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H](N)C1(C)C 84237404 LYPUODUBNLFENM-VIFPVBQESA-N 228.336 2.123 0 40 BEAB CC(C)[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C 84249953 JZWRCXLLTHEQOW-VHSXEESVSA-N 229.320 2.013 0 40 BEAB CCCc1sc(Cl)nc1C(=O)O 95095461 INPKEHSNZZYFBU-UHFFFAOYSA-N 205.666 2.447 0 40 BEAB CC[C@H](c1ccncc1)N(CC)C(=O)NC 95399962 QHABNTWVNWEVNR-LLVKDONJSA-N 221.304 2.194 0 40 BEAB C[C@H](O)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 95973268 BSFLWGWMCXAUIN-RWMBFGLXSA-N 237.343 2.105 0 40 BEAB Cc1cc(F)cc(C(=O)N[C@H](C)c2ncon2)c1 95994434 RVSJVRACQXXYKD-MRVPVSSYSA-N 249.245 2.008 0 40 BEAB CO[C@H]1CCC[C@@H]1OC(=O)c1c(C)noc1C 97094953 AMQCBVRGVVVTRK-UWVGGRQHSA-N 239.271 2.016 0 40 BEAB C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 97097330 FOQYHWQHPGHJLH-UBHSHLNASA-N 247.338 2.067 0 40 BEAB CCN(C(=O)N1CCC(COC)CC1)C(C)C 97141735 CMSILFNYRUUZMN-UHFFFAOYSA-N 242.363 2.195 0 40 BEAB CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](O)C1 97758870 GMYIYDDIJOJTEW-VIFPVBQESA-N 229.320 2.014 0 40 BEAB in-vitro O=C(CC(=O)c1ccccc1O)c1ccncc1 100102624 WBLHNYJDXYTYJM-UHFFFAOYSA-N 241.246 2.243 0 40 BEAB C[C@H]1C[C@@H](C)[C@H](N)CN1Cc1ccccc1 101417853 JZDOXTQRTHHGOG-MBNYWOFBSA-N 218.344 2.244 0 40 BEAB OC1(Cc2ccc(F)c(F)c2)CCOCC1 127827792 QPONLCVJNXZDBQ-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB COc1cnc(C(C)=O)c(Br)c1 199542666 YTIQIALBOIZRCX-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB Cc1cn2c(C(=O)O)c(Cl)nc2s1 211399760 LTFWTXWGHYGHEH-UHFFFAOYSA-N 216.649 2.056 0 40 BEAB CCOC(=O)c1cc(N)sc1C(F)F 242464059 DUGVDQVNGWJUEV-UHFFFAOYSA-N 221.228 2.445 0 40 BEAB COC1C[C@@H]2CC[C@H](C1)N2Cc1cnoc1C 575607283 ZDWJLHSUCFLOHB-FUNVUKJBSA-N 236.315 2.125 0 40 BEAB Cn1c(OC2CCSCC2)nc2cccnc21 585655114 RZZYDIXDPZCITP-UHFFFAOYSA-N 249.339 2.243 0 40 BEAB N=C(N)CC(C(F)(F)F)C(F)(F)F 1536078291 CWKJNMOWAMAIEC-UHFFFAOYSA-N 208.105 2.053 0 40 BEAB C[C@@H]1CC[C@H](N=c2c(N)c[nH]c3ccoc23)C1 2362804267 CNKWAWYDPHADMI-BDAKNGLRSA-N 231.299 2.432 0 40 BEAB CC(=O)O[C@@H](Cn1ccnc1)c1ccccc1 56330 QPBBYIRHBLMQLQ-ZDUSSCGKSA-N 230.267 2.188 0 40 BEAB CSc1nnc(COc2cccc(C)c2)n1C 420477 JJAGFPSNOWPWAA-UHFFFAOYSA-N 249.339 2.424 0 40 BEAB OCCn1c(=S)sc2ccccc21 1710428 DMSMCVJAYYDJHS-UHFFFAOYSA-N 211.311 2.425 0 40 BEAB CC(C)(C)c1cc(OS(C)(=O)=O)ccc1O 2065796 GIAHEJPFUCFQCL-UHFFFAOYSA-N 244.312 2.028 0 40 BEAB Oc1ccc2c(c1)OC(F)(F)C(F)(F)O2 4266562 QMCVHTQWRXVSMQ-UHFFFAOYSA-N 224.109 2.349 0 40 BEAB Fc1ccc(Nc2ncnc3[nH]cnc23)cc1 4692584 SCRHVVOELSYCSO-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB in-vivo CCCc1cc(=O)n(-c2ccc(F)cc2)[nH]1 5686271 NKXPCFSFMKVOFA-UHFFFAOYSA-N 220.247 2.257 0 40 BEAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)OCO2 5793864 DRRCSWOUVIFVIG-SECBINFHSA-N 235.283 2.334 0 40 BEAB O=c1c(=S)[nH]ccn1-c1cccc(F)c1 9941083 SQEKPEQIWPRWLK-UHFFFAOYSA-N 222.244 2.034 0 40 BEAB CC(C)Cn1cc2c(C(F)F)cc(=O)[nH]c2n1 12397846 ZPKDGLWKJONDNI-UHFFFAOYSA-N 241.241 2.318 0 40 BEAB CCSc1nc(C)c(CC(=O)O)s1 19812741 ZMFOTRMQXVYXKU-UHFFFAOYSA-N 217.315 2.191 0 40 BEAB Clc1cnc(N2CCCNCC2)c(Cl)c1 20281870 YYAFWPGVSJKKDP-UHFFFAOYSA-N 246.141 2.188 0 40 BEAB CCN1CCC[C@H]1CNCc1cccc(OC)c1 22936401 IXNIBIRWZKGECC-AWEZNQCLSA-N 248.370 2.269 0 40 BEAB Cc1ccc(CNC(=O)c2cccc(F)c2)n1C 23574634 ZCEDYMHXXQHAMU-UHFFFAOYSA-N 246.285 2.403 0 40 BEAB COc1ccc(O)c(C(=O)N2CCCCC2)c1 32865936 CTBBQKQYXQAWGY-UHFFFAOYSA-N 235.283 2.027 0 40 BEAB Cc1n[nH]cc1CNCCc1cccc(F)c1 36901765 PRPXSJNOAHACQI-UHFFFAOYSA-N 233.290 2.190 0 40 BEAB C=CC(=O)Nc1cccc(OC(F)F)c1 37005825 GNWQJPXLBXGKKE-UHFFFAOYSA-N 213.183 2.413 0 40 BEAB N[C@@H]1CCOc2c(Cl)cc(F)cc21 37901959 YXTFAAHHOXCWKE-MRVPVSSYSA-N 201.628 2.261 0 40 BEAB COc1ccc(Cn2ccnc2)cc1F 40023612 YMAGYSDUSJAFHT-UHFFFAOYSA-N 206.220 2.079 0 40 BEAB COC(=O)c1ccc(N2CCCC[C@H]2C)c(N)c1 41079748 GSHFHUHDBDJASX-SNVBAGLBSA-N 248.326 2.434 0 40 BEAB CCC1(CC)C(=O)N(c2ccc(C)nc2)C1=O 45245851 PFYCIJUQCNQGJE-UHFFFAOYSA-N 232.283 2.070 0 40 BEAB CCCC(=O)NCCc1ccccc1C 45600803 JNOJWNHBJUUVFW-UHFFFAOYSA-N 205.301 2.454 0 40 BEAB CCSc1ccc(NC(=O)CSC)cn1 49479763 GCOSYTVZUMTACD-UHFFFAOYSA-N 242.369 2.495 0 40 BEAB CCNC(=O)CCc1ncc(-c2ccccc2)o1 54565015 QYOAERBVFGDNPK-UHFFFAOYSA-N 244.294 2.410 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(-c2cccs2)n1 54700169 GPUFLMSTQAEFKW-MRVPVSSYSA-N 222.317 2.189 0 40 BEAB CNCCCNCc1cc(Cl)ccc1OC 57364359 JSPVMIWXLMDDTK-UHFFFAOYSA-N 242.750 2.048 0 40 BEAB Fc1ccc(CN2CCCNCC2)cc1Cl 67796700 FUGDGRKADLBQKD-UHFFFAOYSA-N 242.725 2.274 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc(F)cc1Cl 69097879 KFENKVCMKYLSLH-SSDOTTSWSA-N 245.681 2.244 0 40 BEAB C[C@@]1(CO)CCCN1Cc1ccccc1 71790798 LIGZPJRPJQVVNK-ZDUSSCGKSA-N 205.301 2.033 0 40 BEAB in-vitro C[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)CC1 71842067 WSUDLUSWUIJLOX-OCCSQVGLSA-N 246.354 2.335 0 40 BEAB OCCCCN(C1CC1)[C@H]1C=CCCC1 71921801 QVFOWKBXCOTWEY-LBPRGKRZSA-N 209.333 2.332 0 40 BEAB Cc1cc(S)ncc1[C@@H]1CCCCN1 72218332 SSHOVWDIQCNZTL-JTQLQIEISA-N 208.330 2.493 0 40 BEAB CNc1cc(C)c([C@H]2CCCN2C(C)=O)cn1 72219034 MHVSSHZAWYIUNK-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB CCC(=O)c1cnc(N(C)CC)cc1C 72223232 CLXNIHIVNAQMED-UHFFFAOYSA-N 206.289 2.439 0 40 BEAB c1cc(NC2CCOCC2)nc([C@@H]2CCCN2)c1 72386966 FUBDYPWKSNJSKG-LBPRGKRZSA-N 247.342 2.097 0 40 BEAB C[C@H]1CCCCCN1C(=O)C1=CCCCO1 73679731 QECYMMPXSFBYHH-NSHDSACASA-N 223.316 2.472 0 40 BEAB NC(=O)c1nc(-c2ccccc2)oc1Cl 75772100 BOOJFIOTCAUJQA-UHFFFAOYSA-N 222.631 2.094 0 40 BEAB in-vitro FC(F)(F)CNc1nc(C2CC2)ns1 83652309 ATIMBLCKBBFOCG-UHFFFAOYSA-N 223.223 2.390 0 40 BEAB CN(C)[C@H]1CC2(CCNCC2)c2ccccc21 84784161 OUHXKKSSLCEYDR-AWEZNQCLSA-N 230.355 2.314 0 40 BEAB COc1ccccc1OCC1(C(=O)O)CCC1 85390475 MCXGLSWSFVUJKK-UHFFFAOYSA-N 236.267 2.329 0 40 BEAB COC(C)(C)c1noc(C2CC=CC2)n1 89775564 OLKZYHPAETZYPA-UHFFFAOYSA-N 208.261 2.385 0 40 BEAB Nc1cc2c(cc1F)O[C@@H](F)C(F)(F)O2 91252492 WGPHOAZZFWXVLH-SSDOTTSWSA-N 223.125 2.068 0 40 BEAB Nc1cc(Cl)c2c(c1Cl)CNCC2 95743409 ISCJYBRPWMKYDW-UHFFFAOYSA-N 217.099 2.221 0 40 BEAB C[C@@H](COC(F)(F)F)NC(=O)OC(C)(C)C 96308352 DEPPUDRHUVAZQW-LURJTMIESA-N 243.225 2.436 0 40 BEAB in-vitro C[C@H](Oc1cccc(OC2CCCC2)c1)C(N)=O 97114994 HNTYFNKXOIQJSB-JTQLQIEISA-N 249.310 2.261 0 40 BEAB O=C(Nc1ccncc1)NC1[C@H]2CCCC[C@H]12 104260943 FRNSQXDSKQZOSF-QWRGUYRKSA-N 231.299 2.392 0 40 BEAB CC(C)(C)c1csc(Cn2ncccc2=O)n1 195420837 IWBHNYRGLDXHFR-UHFFFAOYSA-N 249.339 2.046 0 40 BEAB COc1ncc(NC(=O)c2ccc(C)cc2)cn1 224279596 QRRQHGIJNIJYIE-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CC(=O)N[C@@H](C)Cc1cc2ccccc2o1 238419437 WXMZXYWWLVXYMA-VIFPVBQESA-N 217.268 2.500 0 40 BEAB CO[C@H]1[C@H]2CC[C@H]1N(c1ccccc1)C2 247931239 FZFQVBICFZRGRN-UHTWSYAYSA-N 203.285 2.300 0 40 BEAB Cc1cnn(C)c1NCc1cccc(O)c1 256051108 HTCCTMAOXZPYKZ-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB CC[C@H](C)[C@@H](OC)C(=O)Nc1nc(C)cs1 331036077 NANNIWCFNZHGGS-IONNQARKSA-N 242.344 2.451 0 40 BEAB Cc1oncc1CNC(=O)Nc1cccs1 575605517 QUOROADNMMDLPR-UHFFFAOYSA-N 237.284 2.366 0 40 BEAB Cc1nccc(OCC2CC(F)(F)C2)n1 585652031 JVXJNQAGETXWNN-UHFFFAOYSA-N 214.215 2.209 0 40 BEAB C[C@H]1CCCCN1c1cc(-n2cccn2)ncn1 1888853934 BDSXUHBWQXRKBD-NSHDSACASA-N 243.314 2.041 0 40 BEAB CC[C@@]1(C)OC(=O)N(Cc2ccco2)[C@@]1(C)O 62832 DKQKKPIIGYHBSB-NEPJUHHUSA-N 239.271 2.109 0 40 BEAB CN(C)c1nnnc2c1sc1ccccc12 482047 QKSQPHZMTRGLLY-UHFFFAOYSA-N 230.296 2.306 0 40 BEAB COc1ccc(/C=C/C(=O)NCC(C)C)cc1 1480355 XAUDLZILKWLKET-RMKNXTFCSA-N 233.311 2.481 0 40 BEAB O=C(O)C[C@@H](Cc1ccccc1Cl)C(=O)O 1571192 FTJBLTIWNBZCRC-MRVPVSSYSA-N 242.658 2.058 0 40 BEAB in-vitro COc1ccc2cc(OC)c(OC)cc2n1 1666480 IAKFKBZPVBPJAK-UHFFFAOYSA-N 219.240 2.261 0 40 BEAB CC(C)=CCC/C(C)=C/Cn1c(=O)cc[nH]c1=O 1743898 NQEQFTFAIHBETC-XYOKQWHBSA-N 248.326 2.229 0 40 BEAB CC[C@H](C(=O)O)n1nc(C(F)(F)F)cc1C 2535193 XKONCEKLNBIPLF-ZCFIWIBFSA-N 236.193 2.246 0 40 BEAB CC(=O)N1CCC(Nc2ccc(F)cc2)CC1 4785233 VGXMWNVSOPKUDJ-UHFFFAOYSA-N 236.290 2.249 0 40 BEAB CC(C)NC(=S)Nc1cccnc1Cl 7571116 XOJWLQTUKPKCSK-UHFFFAOYSA-N 229.736 2.430 0 40 BEAB O=C(O)CCSCc1cn2ccccc2n1 8754322 QNLRSUZEBNCAPM-UHFFFAOYSA-N 236.296 2.042 0 40 BEAB COCCCNc1nc(C)c(C(C)=O)s1 12394860 SYRNPVKZQYRIQX-UHFFFAOYSA-N 228.317 2.103 0 40 BEAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(N)=O)cc2)C1 12977806 JXXVXAFESMOPDX-VXGBXAGGSA-N 246.354 2.263 0 40 BEAB O=c1[nH]ncc(N2CCCCCCC2)c1Cl 15112686 XUZZOJZYVUFQIZ-UHFFFAOYSA-N 241.722 2.194 0 40 BEAB CC(C)(O)C(F)(F)[C@@H](F)C(F)(F)F 15442441 AHOBFJZDSQJNCO-GSVOUGTGSA-N 210.117 2.293 0 40 BEAB COC(=O)CSC1=Nc2ccccc2C1 16189840 IJTVUXXZLAGXLF-UHFFFAOYSA-N 221.281 2.179 0 40 BEAB CC[C@@H](C)C(=O)NCc1ccc(C(=O)O)cc1 19396561 HFQQXURPZWKEPF-SECBINFHSA-N 235.283 2.047 0 40 BEAB CCOc1ccc(N)cc1C(=O)N1CCCCC1 20155797 AUJOCKPXZGMCFO-UHFFFAOYSA-N 248.326 2.294 0 40 BEAB CCOc1ccccc1[C@H]1C[C@@H]1C(=O)O 20392343 VZAUHNCDYIPCJR-ZJUUUORDSA-N 206.241 2.273 0 40 BEAB Cc1cc(C(=O)COC(=O)c2ccoc2)c(C)[nH]1 22417256 BYZBCQUDZASOKH-UHFFFAOYSA-N 247.250 2.264 0 40 BEAB c1coc(-c2nnc([C@@H]3CCCNC3)s2)c1 26424292 VGQHXSKOTOTVRO-MRVPVSSYSA-N 235.312 2.265 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c12 27338993 JUTJXYWUVVAZDK-SSDOTTSWSA-N 247.298 2.368 0 40 BEAB CCCOc1ccc(OC)cc1CNC 34655745 SGWBGBVBXRKCGE-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB N[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1 37240984 WGNMDIPCMAFVDZ-VIFPVBQESA-N 230.233 2.243 0 40 BEAB CCCn1nc(-c2ccccc2)ccc1=O 38790798 BMSIKXXGJBTOMP-UHFFFAOYSA-N 214.268 2.320 0 40 BEAB C[C@H](O)c1nc2cc(Cl)ccc2n1C 40417034 STBMZERUSIPFTB-LURJTMIESA-N 210.664 2.280 0 40 BEAB in-vitro Cc1nc(CNC(=O)c2ccccn2)sc1C 41567446 VXNRWFCTECLWFP-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CO[C@H](CN)c1ccc(Br)cc1 42956381 LBVJDSQRRDQZAY-SECBINFHSA-N 230.105 2.095 0 40 BEAB Cc1ccccc1CCNC(=O)C(C)C 44867975 DZYZLVBOHPHEGM-UHFFFAOYSA-N 205.301 2.310 0 40 BEAB CC(=O)NCc1ccccc1CN1CCCCC1 52527961 QYDAHHJLOFUTEX-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB CC[C@@](C)(O)c1ccc(OC)cc1OC 55232462 MIVRTUCJLPQVCV-GFCCVEGCSA-N 210.273 2.321 0 40 BEAB Cc1ccc(CC(=O)O)cc1Br 57953339 POUORGSHKJVFIC-UHFFFAOYSA-N 229.073 2.385 0 40 BEAB in-vitro CCn1c(C(=O)O)cc2c(OC)ccc(OC)c21 67799296 JURAUJAHXBQRDN-UHFFFAOYSA-N 249.266 2.377 0 40 BEAB COC(OC)c1nnc(-c2ccccc2)o1 68575493 WBMVOXQPFQYXCA-UHFFFAOYSA-N 220.228 2.028 0 40 BEAB in-vitro CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 69452424 BOTHIUZXNHVIOG-WUQHTFKHSA-N 205.257 2.162 0 40 BEAB CC(C)[C@H](N)CCC(=O)Nc1ccccc1 72208130 VVAMJYLFZSRHST-GFCCVEGCSA-N 220.316 2.389 0 40 BEAB O=CN1CCCC[C@H]1c1ccc(Cl)nc1 72211475 WFPVBKKOCVVOTQ-JTQLQIEISA-N 224.691 2.418 0 40 BEAB CSc1ncccc1[C@H]1CCCCN1C=O 72216974 TWTZUHCRBNAERN-LLVKDONJSA-N 236.340 2.487 0 40 BEAB CC(C)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 72361238 YVHYAKCFJSQQAF-LLVKDONJSA-N 221.304 2.119 0 40 BEAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCC2)no1 72381798 IPVCUFHHBSTFGF-NSHDSACASA-N 249.314 2.232 0 40 BEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](C)C1 74684192 GTVMJMTYAKHXRT-SNVBAGLBSA-N 249.358 2.218 0 40 BEAB CN[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79437029 QMXDBAIQSFJAPO-VHSXEESVSA-N 228.336 2.042 0 40 BEAB CCc1noc([C@H](C)SCC(C)=O)n1 81273570 OWBYLHRHAYPIEN-ZETCQYMHSA-N 214.290 2.015 0 40 BEAB CCC1(O)CCN(C(=O)OC(C)(C)C)CC1 84424171 FVYZBHWNTWWQGI-UHFFFAOYSA-N 229.320 2.158 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCc1cc(F)ccc1F 84686912 GYWCRMAOCIDPNC-OIBJUYFYSA-N 225.238 2.237 0 40 BEAB CCS[C@@H]1CCCC[C@H]1NC(C)=O 95408786 IHDTUDKWHBNSMF-NXEZZACHSA-N 201.335 2.187 0 40 BEAB c1nc2c(c(N3CCCC3)n1)CCCCC2 95409797 IKOWTZDXOWQZDW-UHFFFAOYSA-N 217.316 2.346 0 40 BEAB Cc1ccc(CNC(=O)c2nc(C)ns2)cc1 96098471 MCGACSIQSYOKMI-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CC(C)[C@@H](CCO)Nc1cccc(F)n1 96427258 MZIJUPQDGPPHES-SECBINFHSA-N 212.268 2.040 0 40 BEAB CC(C)OCCN[C@H](C)c1cncc(F)c1 97084107 QCSJEYCTWUKSBN-SNVBAGLBSA-N 226.295 2.296 0 40 BEAB COCCCn1ccc2sccc2c1=O 97114998 HSQVHFJGIOCMPA-UHFFFAOYSA-N 223.297 2.100 0 40 BEAB CN1CC[C@@]2(C)C[C@H]1Cc1ccc(O)cc12 100380325 SGPDQCOZBVOUMT-RISCZKNCSA-N 217.312 2.300 0 40 BEAB O=Cc1cc(C(F)(F)F)ccc1C(=O)O 113066627 RZAMZNJFYLDRSY-UHFFFAOYSA-N 218.130 2.216 0 40 BEAB c1ccc(C2CCN(C[C@@H]3CCNC3)CC2)cc1 169798597 OHMAMUXDYVWLOM-CQSZACIVSA-N 244.382 2.476 0 40 BEAB O=C(CCc1cccs1)Nc1cnns1 188701355 QKTCJGWLAYXLDP-UHFFFAOYSA-N 239.325 2.171 0 40 BEAB O=C(CCc1ccccc1)Nc1cnns1 191280491 BEIRCRAPAQFYIY-UHFFFAOYSA-N 233.296 2.109 0 40 BEAB COc1ccc(C(=O)N(C)C)cc1Cl 216210032 GXICIVQAQLAULQ-UHFFFAOYSA-N 213.664 2.050 0 40 BEAB FC(F)(F)COCCOC(F)(F)F 219639585 YPXLWAJGIZEWFE-UHFFFAOYSA-N 212.089 2.102 0 40 BEAB CC[C@](C)(CNC1C[C@H](C)O[C@@H](C)C1)[C@H](C)O 245287338 CAKQDNXHLJAYON-ZJQBRPOHSA-N 243.391 2.329 0 40 BEAB Cc1cc(NCc2ccnn2CC(C)C)n(C)n1 256053651 SGXSZJQOAPLIJO-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB CCOc1cccc2c(O)cc(O)nc12 257198211 WHBOWYHHTFZGJR-UHFFFAOYSA-N 205.213 2.045 0 40 BEAB Fc1cnc(N2CCc3ccccc3C2)nc1 301791955 RLIVCBBAJQASNI-UHFFFAOYSA-N 229.258 2.178 0 40 BEAB c1cn(-c2nccc3sccc23)cn1 1775966274 ZUFOHWCKIIOKGW-UHFFFAOYSA-N 201.254 2.482 0 40 BEAB CN(NC1=NCCO1)c1ccc2ccccc2c1 1639229 BTLKZYPIZDAICY-UHFFFAOYSA-N 241.294 2.167 0 40 BEAB Cc1nn(C)cc1CNCc1ccccc1 2536045 PPHMWTVXZRNZCB-UHFFFAOYSA-N 215.300 2.018 0 40 BEAB C[C@H]1CN(C)C[C@@H](C)C1(O)c1ccccc1 4712839 XSUFCGQZSFZRAK-ONXXMXGDSA-N 219.328 2.092 0 40 BEAB CCOCCS(=O)(=O)c1ccc(Cl)cc1 60423558 DOSJMQKLSXMFJA-UHFFFAOYSA-N 248.731 2.150 0 40 BEAB Fc1cc(Cl)cn2c(C(F)F)nnc12 1848350264 ICUMOPFDONHNSX-UHFFFAOYSA-N 221.569 2.459 0 40 BEAB O=C(NCC1CCCC1)c1cc(C2CC2)on1 33054973 AHHBRTCOQQGWEG-UHFFFAOYSA-N 234.299 2.472 0 40 BEAB C[C@@H](NC(=O)c1cnn(C)c1)c1ccccc1F 23545015 LCUYRFMWDCQSDQ-SECBINFHSA-N 247.273 2.050 0 40 BEAB O=C(OCC[C@@H]1CCCNC1)c1ccccc1 42769437 FMWQLDHARLGESP-LBPRGKRZSA-N 233.311 2.233 0 40 BEAB in-vitro CCCCCNC(=O)Nc1cc(C)nn1C 43435617 DOYWHLVQHZRRNM-UHFFFAOYSA-N 224.308 2.040 0 40 BEAB O=C(OCC(F)(F)F)C(Cl)(Cl)Cl 1717162 PBNSIWIXDXFYGL-UHFFFAOYSA-N 245.411 2.462 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCCC[C@H]2CN)c1 44541756 OCVDQUXFEWTDRW-ZDUSSCGKSA-N 246.354 2.257 0 40 BEAB CCNC(=O)N[C@@H]1C[C@H]1c1ccc(C)c(C)c1 58163632 PQLSWSQCWAVIJX-QWHCGFSZSA-N 232.327 2.478 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@@H]2[C@@H](C)N)c1 20594415 DPZMVJPIWKFHMT-IEBDPFPHSA-N 221.300 2.155 0 40 BEAB Cc1ccccc1CNC(=O)NCC1CC1 12894400 BVQJSDUXOHHNRA-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB COc1cccc(OCC[C@H]2CCCNC2)c1 14632364 LBLPIBNKQRAJOI-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB CNC(=O)Cc1ccc(Cl)c(Cl)c1 14862104 CGFORRLIKRTSLT-UHFFFAOYSA-N 218.083 2.282 0 40 BEAB CC(C)CNC(=O)c1cn[nH]c1-c1ccccc1 8706507 HAYVMCVFDQKKPS-UHFFFAOYSA-N 243.310 2.463 0 40 BEAB CCCC(=O)Nc1cccc(-c2ncn(C)n2)c1 97084753 FFIYTWGGOATKGV-UHFFFAOYSA-N 244.298 2.221 0 40 BEAB CCCc1onc(C)c1C(=O)N1CCCC1 97212784 SJGVSEQXRJMYBK-UHFFFAOYSA-N 222.288 2.172 0 40 BEAB Cc1nc2cc(C(=O)NC3CC3)ccc2s1 408980352 VSCPQWRHSBELFD-UHFFFAOYSA-N 232.308 2.497 0 40 BEAB CC[C@H]1c2cc(OC)c(O)cc2CCN1C 3847423 CZISOUSQPMDBJE-NSHDSACASA-N 221.300 2.340 0 40 BEAB biogenic Cc1cc([C@@H](C)N)cnc1Br 72221920 WRAYLSYRPBHAGQ-ZCFIWIBFSA-N 215.094 2.172 0 40 BEAB Cc1ncccc1[C@H]1CCCCN1C=O 72211321 REOQUFMRNISUMN-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB Cc1nc(N(C)C)ccc1C1=NCCC1 72218721 UMXXSNLCMVSIGE-UHFFFAOYSA-N 203.289 2.039 0 40 BEAB CCC[C@H](C(=O)O)N1C[C@H](C)C[C@@H](C)C1 22122659 WEUHQCHOHUHRTR-GMTAPVOTSA-N 213.321 2.218 0 40 BEAB CN(Cc1ccccc1)Cc1ccn(C)c(=O)c1 42112700 WVRIXFYXUUANHR-UHFFFAOYSA-N 242.322 2.017 0 40 BEAB CC(C)n1ccc(I)n1 72339573 OQIHVCDANZPVDQ-UHFFFAOYSA-N 236.056 2.069 0 40 BEAB in-vitro Cn1cc(OCCc2ccc(F)c(F)c2)cn1 193520084 HGNJOBZEKMIZRH-UHFFFAOYSA-N 238.237 2.320 0 40 BEAB COC1CCN(C(=O)c2cc(C)cs2)CC1 44451337 FRIHEGAGMVAEOV-UHFFFAOYSA-N 239.340 2.308 0 40 BEAB CN1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 82328169 KHMRJIBLRBENAX-WDEREUQCSA-N 239.702 2.070 0 40 BEAB COC(=O)c1ccc(Cn2cccc2C)o1 226032254 LDWSGUOCYCACGT-UHFFFAOYSA-N 219.240 2.224 0 40 BEAB CCc1nc2nccc(-c3ccc(O)cc3)n2n1 40175418 LPFZGJLEUGMTGZ-UHFFFAOYSA-N 240.266 2.059 0 40 BEAB COCC(=O)c1ccc(F)c(Cl)c1 43504737 SSPSMZRRJMXGHZ-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB Cc1nsc(NCc2ccccc2)n1 83647864 GUKKZBSIJNNSAI-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB O=C(c1cccnc1Cl)C(F)(F)F 82046871 OLKLTNDTKRJFEF-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB Ic1ccc2ocnc2c1 97463403 WTKACSMFDSZNLG-UHFFFAOYSA-N 245.019 2.432 0 40 BEAB Cc1nnc(CSC[C@H]2CCCCO2)o1 96467779 BZNUXPLKYPUXNE-SECBINFHSA-N 228.317 2.180 0 40 BEAB Cc1cc(NC(=O)c2ccc(N)cc2F)ccn1 92348452 YUIRFBLDXDZFHE-UHFFFAOYSA-N 245.257 2.364 0 40 BEAB CSCC[C@H](C)NC(=O)c1cccnc1C 96412318 GAHOZMSNQFMORH-VIFPVBQESA-N 238.356 2.261 0 40 BEAB COc1ccc(F)cc1[C@H](O)c1ccccn1 95727403 LNEUSOOVXBEZHW-ZDUSSCGKSA-N 233.242 2.311 0 40 BEAB O=C(CC1CCC1)NC1CC(F)(F)C1 336516140 HCHGUPBHCHXGGO-UHFFFAOYSA-N 203.232 2.091 0 40 BEAB Nc1nc(-c2ccc(F)cc2O)cs1 95929211 XAWNOBIEOIKTOR-UHFFFAOYSA-N 210.233 2.237 0 40 BEAB Cc1nn(-c2ccccn2)c(C)c1S 95095576 JPCKPYZXECWZLE-UHFFFAOYSA-N 205.286 2.173 0 40 BEAB Cc1c(Br)ccc2c1COC2=O 96028593 IRAKZLQFUGTIGE-UHFFFAOYSA-N 227.057 2.428 0 40 BEAB in-vitro CC(C)(C)OC(=O)NC1CC[C](C(=O)O)CC1 1560405371 PNCFNMHVXILMEI-UHFFFAOYSA-N 242.295 2.113 0 40 BEAB O[C@H](CCOC(=S)S)c1ccccc1 16477354 NZLHIIHFJNTWNZ-SECBINFHSA-N 228.338 2.341 0 40 BEAB O=Cc1c[nH]c2ccnc(Br)c12 14986217 UXLMDNWNUXGADZ-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro c1nc(N2C[C@H]3C[C@H]2CS3)c2ccsc2n1 585149525 YZYJJGYZNIVIJR-JGVFFNPUSA-N 249.364 2.385 0 40 BEAB CNCCc1ccccc1Br 40916543 PBWMDNDMVICFTB-UHFFFAOYSA-N 214.106 2.211 0 40 BEAB in-vitro CN(C)[C@@H]1CCC[C@@H]1Oc1ccc(F)cn1 585653503 HGPBLCRABDHTFZ-MNOVXSKESA-N 224.279 2.082 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)C(C)(C)C 40050123 KFBYYTJFNPLLIB-SECBINFHSA-N 209.289 2.373 0 40 BEAB C[C@H]1[C@@H]2CC[C@]1(c1ccccc1)C(=O)O2 100740832 LNMNSKLQCMUAGQ-GAFUQQFSSA-N 202.253 2.280 0 40 BEAB O=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 1476279 YRPCEGFPKMQCHL-YHYXMXQVSA-N 244.275 2.492 0 40 BEAB CCOC(=O)C(=CC(CC)CC)C(=O)OCC 1600391 XCJIUZBOARCKJN-UHFFFAOYSA-N 242.315 2.475 0 40 BEAB CCOC(=O)c1c(C)cc(NC(C)=O)cc1C 1706406 JAMYNVNGMNMGRV-UHFFFAOYSA-N 235.283 2.439 0 40 BEAB Cc1ccccc1[C@](O)(C(=O)O)c1ccccc1 1758655 AEIGUJIDYBREEB-HNNXBMFYSA-N 242.274 2.316 0 40 BEAB O=c1oc2ccc(C(F)(F)F)cc2o1 2540440 DSIYBEATTIFPBC-UHFFFAOYSA-N 204.103 2.405 0 40 BEAB Cc1ccc(C(=O)O[C@@H]2CCCN(C)C2)cc1 4552912 ABYXUESOTRGACZ-CYBMUJFWSA-N 233.311 2.246 0 40 BEAB COC(=O)c1nc(-c2ccccc2)oc1C 5538644 ZFEAGDOIQORQNY-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB Cc1ccccc1-n1nc(C)c(C(=O)O)c1C 6770810 QBWKJLWULGTVGK-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB Cc1ccc(-c2nnsc2C(=O)O)s1 12399085 PNKYFFDSOCEBRT-UHFFFAOYSA-N 226.282 2.273 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)c(C)c1 12971382 ICNWKIZOJRUILK-KCJUWKMLSA-N 247.294 2.376 0 40 BEAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1O 13898317 SFVPAAYZTUCGDI-LBPRGKRZSA-N 219.284 2.179 0 40 BEAB CN(C)CCOc1ccc(N)c(C(F)(F)F)c1 14630289 NBBKWJDWBUWKSV-UHFFFAOYSA-N 248.248 2.228 0 40 BEAB COc1cc(CO)ccc1OCc1cccnc1 20032048 KOBHRLOGXAREMX-UHFFFAOYSA-N 245.278 2.162 0 40 BEAB CCC[C@H](C)CNC[C@@H]1CCCN1CC 20091976 VLHUPRHZIXLLKF-STQMWFEESA-N 212.381 2.497 0 40 BEAB Nc1cc(Cl)ccc1C(=O)OCC1CC1 20156176 KFEGMHGOGBRVIM-UHFFFAOYSA-N 225.675 2.489 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCc1ccccc1F 21269941 ZSUNDFGRFWRAHX-PSASIEDQSA-N 207.248 2.098 0 40 BEAB C[C@@H](Sc1ccccn1)C(=O)N1CCCC1 32666597 IBBDGDGBFMRYJA-SNVBAGLBSA-N 236.340 2.185 0 40 BEAB C1CCN(CCC[C@H]2CCCNC2)CC1 34284224 WWRFLCOUICZHAT-CYBMUJFWSA-N 210.365 2.252 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@H]2[C@H](C)N)c1 36922583 DPZMVJPIWKFHMT-LSJOCFKGSA-N 221.300 2.155 0 40 BEAB CC[C@H](C)N(CC(=O)O)C(=O)CC1CCCC1 37870840 VEAGQAUAYRGLQJ-JTQLQIEISA-N 241.331 2.278 0 40 BEAB Cc1cccc(NS(=O)(=O)C2CC2)c1C 38678565 HGSYBMILCBNWFC-UHFFFAOYSA-N 225.313 2.208 0 40 BEAB CCCc1cc(C(=O)NCCOC)sc1C 40462282 GYVNWFFRJIQKME-UHFFFAOYSA-N 241.356 2.385 0 40 BEAB O=C(O)[C@@H](O)c1cccc(Cl)c1Cl 40733902 BBKBVCLSUNDJCP-ZETCQYMHSA-N 221.039 2.111 0 40 BEAB COc1ccc2c(c1)c(/C=C/C(=O)O)cn2C 44214792 XRJURFJZAKUVEA-ZZXKWVIFSA-N 231.251 2.285 0 40 BEAB CCOC(=O)c1c(F)cncc1Br 47203040 KDHLLUHMPGJYDM-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB in-vitro CC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 49227235 RHWTXNOJWHGITQ-SNVBAGLBSA-N 246.310 2.011 0 40 BEAB O=C(NCC(F)(F)F)[C@H]1CC=CCC1 52949113 ZYLGYMKZCNNCIN-ZETCQYMHSA-N 207.195 2.021 0 40 BEAB c1ncc(CNc2ccc3c(c2)OCO3)s1 54770086 YKXHVADZUUVICI-UHFFFAOYSA-N 234.280 2.484 0 40 BEAB CC[C@@H]1CCCCN1C(=O)/C=C/c1cnn(C)c1 58355249 UEBGSNFRRBULCL-SBDDDAINSA-N 247.342 2.224 0 40 BEAB CC(=O)COc1cc(C(=O)O)cc2occc12 72228311 XNGBLBUQOBFDPA-UHFFFAOYSA-N 234.207 2.099 0 40 BEAB CCO[C@@H](C)c1nc(Cn2cccn2)cs1 76062592 DBYINZLBBPDVHL-VIFPVBQESA-N 237.328 2.485 0 40 BEAB Clc1nccn2cnc(Br)c12 89195428 WZCZOMJLUKRBEG-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CCC(C2COC2)CC1 91353274 UEKRZANKPZVKJS-UHFFFAOYSA-N 241.331 2.280 0 40 BEAB CCO[C@H]1C[C@H](NC(C)=O)C12CCCCC2 95402003 CXLNJOZSTFFEFK-RYUDHWBXSA-N 225.332 2.250 0 40 BEAB CC(C)N(CCS[C@@H]1CCOC1=O)C(C)C 95446289 HUFMDFUSXYTUBB-LLVKDONJSA-N 245.388 2.154 0 40 BEAB CN(C)C(=O)c1ccc(Cn2cccc2)cc1 95948366 SAIDZQHICTWQPE-UHFFFAOYSA-N 228.295 2.238 0 40 BEAB C[C@H](C(=O)N(C)C(C1CC1)C1CC1)n1cccn1 95957243 TZIMGHADRAVDRH-SNVBAGLBSA-N 247.342 2.091 0 40 BEAB O=C(Nc1cc(F)ccc1O)c1ccc[nH]1 95976263 ZLQWSNLOQZYHLR-UHFFFAOYSA-N 220.203 2.112 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2O1 96043560 RRFFSCXINPDGEX-FPMFFAJLSA-N 245.322 2.326 0 40 BEAB COC(=O)CNc1ccccc1OC(C)(C)C 96406570 ADLBPVOAUUEISC-UHFFFAOYSA-N 237.299 2.449 0 40 BEAB CO[C@@H](C)C(=O)NCc1ccc(Cl)c(C)c1 97112033 KZKZKNSSVCMSKM-VIFPVBQESA-N 241.718 2.300 0 40 BEAB O=C(COc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100623912 KHHWHWQAUKLMIB-YRGRVCCFSA-N 245.322 2.370 0 40 BEAB Cc1cc(Cl)ccc1CN(C)C[C@@H](C)O 120497705 MJVUYPKCUAHNSU-SNVBAGLBSA-N 227.735 2.461 0 40 BEAB CS(=O)(=O)C[C@H](C(=N)S)C1CCCCC1 217761058 QQRMRBFPOMEXCB-VIFPVBQESA-N 249.401 2.135 0 40 BEAB Cc1cc(N)nc(NCCc2cccs2)n1 225559920 HGCXIZHXDRUPKP-UHFFFAOYSA-N 234.328 2.083 0 40 BEAB Cc1cc(C)c(-c2cc(O)[nH]n2)c(O)c1C 226761865 YCECYBCUFNXUEF-UHFFFAOYSA-N 218.256 2.413 0 40 BEAB Cc1nc(C)c(Br)c(C)c1N 238509737 LWQMPVLNASWTTN-UHFFFAOYSA-N 215.094 2.352 0 40 BEAB O=c1c2ccccc2sn1[C@@H]1CCOC1 281097219 FNCPPQGFVXUBNF-MRVPVSSYSA-N 221.281 2.024 0 40 BEAB Fc1ccc(CCNc2cnccn2)cc1F 302792028 YUXIWBVLPPYYBT-UHFFFAOYSA-N 235.237 2.409 0 40 BEAB C[C@@H](F)CCN1CCC2(CCCN2C)CC1 336587364 BCRFWSIEXBRYAP-GFCCVEGCSA-N 228.355 2.295 0 40 BEAB COc1cc(C=O)c(F)c(F)c1Cl 642814610 MMVKNQVXCPGQLL-UHFFFAOYSA-N 206.575 2.439 0 40 BEAB FC1(F)COC[C@@H]1OCc1ccccc1 688361006 SKIDJWBUMBSCMD-JTQLQIEISA-N 214.211 2.237 0 40 BEAB Nc1ccc(O)c(-c2nc3cc(N)ccc3o2)c1 264115 UZKHGLOOTRAUDU-UHFFFAOYSA-N 241.250 2.365 0 40 BEAB COC(=O)NCCc1c[nH]c2ccccc12 379050 HCBAFFNXFPNJMN-UHFFFAOYSA-N 218.256 2.066 0 40 BEAB biogenic S=c1[nH]cnc2[nH]cc(Br)c12 1713361 TWCKHZZBOONLFF-UHFFFAOYSA-N 230.090 2.383 0 40 BEAB CC(C)Cc1ccc([C@H](C)C(=O)NCCO)cc1 1999469 JVGUNCHERKJFCM-LBPRGKRZSA-N 249.354 2.097 0 40 BEAB in-man Clc1ccc([C@@H]2NCCc3nc[nH]c32)cc1 2456029 VIYSCMWHBOQBRJ-NSHDSACASA-N 233.702 2.298 0 40 BEAB biogenic CCN(CC)c1cc(F)nc(N(CC)CC)n1 2565446 SUZKLEHYAYNQOC-UHFFFAOYSA-N 240.326 2.308 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1ccncc1 3079267 CVWXSKOMZXTDAA-LBPRGKRZSA-N 218.300 2.486 0 40 BEAB COc1ccc2c(c1)CC[C@@H](C(=O)O)[C@@H]2C 3844069 AJWYLNNVQJYOJL-PRHODGIISA-N 220.268 2.446 0 40 BEAB biogenic Cc1ccc(-c2[nH]c(=O)n3ccncc23)s1 5950771 GFNCZNQIRCHVKD-UHFFFAOYSA-N 231.280 2.060 0 40 BEAB CCN1C(=O)C[C@H]2Sc3ccccc3N=C21 5952472 UJJLBGLTSFFWKR-SNVBAGLBSA-N 232.308 2.443 0 40 BEAB O=C(NC1CCCC1)[C@H]1Cc2ccccc2O1 7951284 BGLOKDVMPXRUDB-CYBMUJFWSA-N 231.295 2.049 0 40 BEAB CNC(=O)c1occc1COc1ccccc1 11151182 LYQQTMBMJGNEGL-UHFFFAOYSA-N 231.251 2.218 0 40 BEAB O=C(O)c1cccnc1N1CCc2ccccc21 11633159 YXBCHINHKPQKEO-UHFFFAOYSA-N 240.262 2.474 0 40 BEAB Cc1cc(C(=O)O)c(C)n1[C@@H]1CN2CCC1CC2 12505740 KAHMWPLCHVMYEH-CYBMUJFWSA-N 248.326 2.070 0 40 BEAB in-vitro NC(=O)[C@H](c1ccccc1)N1CCCCCCC1 12881299 LRYVACGIHJTLSP-AWEZNQCLSA-N 246.354 2.479 0 40 BEAB Cc1cc2nccc(C(F)(F)F)n2n1 20281523 MQKKJVKNIYOZEN-UHFFFAOYSA-N 201.151 2.057 0 40 BEAB in-vitro C[C@@H](c1ccccc1)n1c(N)cc(=O)[nH]c1=S 22637702 JJGAMWNEQHQICU-QMMMGPOBSA-N 247.323 2.097 0 40 BEAB Cc1ccc(F)c2ncc(C(=O)O)c(O)c12 35731166 XQHNMRCTIJXQPU-UHFFFAOYSA-N 221.187 2.086 0 40 BEAB OCc1ncc(-c2cccc(Cl)c2)o1 36757623 SYNHPTPDCOUPLT-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB in-vitro CC[C@@H](O)CNCc1ccccc1Cl 37688451 AFNZQPSOTTWIOY-SNVBAGLBSA-N 213.708 2.201 0 40 BEAB CN(Cc1cccnc1)C(=O)c1ccsc1 39976080 HVHXTVQAQNCWCO-UHFFFAOYSA-N 232.308 2.415 0 40 BEAB CCCCn1nc(-c2ccc(F)cc2)oc1=O 40485549 APEAURASQFXCRP-UHFFFAOYSA-N 236.246 2.443 0 40 BEAB NNc1nc2cnc3ccccc3c2s1 41127685 TUFXNDFNGZKCRB-UHFFFAOYSA-N 216.269 2.130 0 40 BEAB NCc1nc(CCc2ccccc2)cs1 41231681 PQXIJUFQDBKRHU-UHFFFAOYSA-N 218.325 2.387 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)CC(F)(F)F)C1 44596468 KNHIFHPPHBRRKU-YUMQZZPRSA-N 223.238 2.443 0 40 BEAB CCc1ccc(C(=O)CCC(=O)N(C)C)cc1 47651284 WMEXERWTBNDFKL-UHFFFAOYSA-N 233.311 2.300 0 40 BEAB CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 48645224 DMSYDHDVMPURTN-NSHDSACASA-N 244.298 2.039 0 40 BEAB COc1ccccc1-c1nc(CC(=O)O)c(C)o1 49632726 MDRFKVQZFBITEE-UHFFFAOYSA-N 247.250 2.286 0 40 BEAB CCOc1ccc([C@@H]2C[C@H]2CNC)cc1 54588789 NIFATAJCKVXGJO-AAEUAGOBSA-N 205.301 2.408 0 40 BEAB CSc1ccc(C(=O)COC(C)=O)cc1 61574688 JBOJGOICIMXCHX-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB COc1cccc(-c2ccnc(C(=O)O)c2)c1 65347339 WYAMUUQZZQEKJB-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB Cc1ccc(NC(=O)NCCCO)c(Cl)c1 65536095 VDTOQTHQGZUVTN-UHFFFAOYSA-N 242.706 2.152 0 40 BEAB CCO[C@H]1CCCN(CCc2ccccn2)C1 71915702 HMDDTXJRIUYSPG-AWEZNQCLSA-N 234.343 2.125 0 40 BEAB Clc1ccccc1CNC[C@@H]1CCCNC1 72202907 MTIUEAPWQNCULQ-LLVKDONJSA-N 238.762 2.429 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C 72208907 NGIVTSQPSSMURS-BDAKNGLRSA-N 231.336 2.307 0 40 BEAB CCN1CCC[C@@H]1c1ccc(OC)nc1 72211656 RJRYROVQFOXEHQ-LLVKDONJSA-N 206.289 2.247 0 40 BEAB OCC1(c2cc(-c3ccco3)on2)CCC1 72220653 PGTRNEADUAWTPF-UHFFFAOYSA-N 219.240 2.349 0 40 BEAB Brc1nnc(NCC2CC2)s1 81663497 HDRGZTULFIOWSE-UHFFFAOYSA-N 234.122 2.123 0 40 BEAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)CO1 83965788 WONDZQDQIYMEDF-MRVPVSSYSA-N 231.173 2.486 0 40 BEAB C[C@@H]1C[C@H](C(=O)O)c2ccccc2N1C 83985761 KRYVSGCLBIXXRP-SCZZXKLOSA-N 205.257 2.083 0 40 BEAB COC(=O)C[C@@]12CC[C@@](C)([C@@H](O)C1)C2(C)C 85398800 QSMUFBCONLGVEU-TVYUQYBPSA-N 226.316 2.127 0 40 BEAB CCOc1cccc2cc(-c3nnc(N)o3)oc12 85436328 ADPRNOBYIBYFAH-UHFFFAOYSA-N 245.238 2.464 0 40 BEAB C[C@@H]1C[C@@H](Sc2ccccc2O)C(=O)O1 89920147 GJQSZGMWFDYFGG-GMSGAONNSA-N 224.281 2.188 0 40 BEAB CC(C)OC(=O)c1c[nH]c2ccc(F)cc2c1=O 94993175 BDDWNSDREPBTSW-UHFFFAOYSA-N 249.241 2.232 0 40 BEAB COc1ccc2ccc(OCCC(N)=O)cc2c1 95439039 RURYGLSDEGFNLR-UHFFFAOYSA-N 245.278 2.103 0 40 BEAB CCN(CC)Cc1cnc2c(C)cccn12 95453794 ZDPDBBKBPBEJNG-UHFFFAOYSA-N 217.316 2.485 0 40 BEAB Cc1cc(C(F)(F)F)cnc1C(=O)O 95763648 CIEXYRWKGCYSPN-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB Cn1cc(N)c(OC2CCCCCC2)n1 95836670 JUOPDRNHTKYHNB-UHFFFAOYSA-N 209.293 2.104 0 40 BEAB CC[C@@H](N[C@@H]1CCCSC1)c1noc(C)n1 97370982 PMAVAISMEZLQPN-NXEZZACHSA-N 241.360 2.314 0 40 BEAB FC(F)(F)c1ccnc(N2CCCC2)n1 98004426 SUVTZRNFRIWIID-UHFFFAOYSA-N 217.194 2.096 0 40 BEAB COc1ccc2c(c1)[C@@]1(C)CC[C@H](C2=O)C1=O 100693536 XIGDPSJUSUDMTG-QMTHXVAHSA-N 230.263 2.128 0 40 BEAB Cc1ccccc1N/C=C1\SC(=O)NC1=O 101279315 SAMMFMNVNYFVFW-TWGQIWQCSA-N 234.280 2.231 0 40 BEAB CC1(C)[C@H]2CN(C(=O)c3ccoc3)C[C@@H]21 102728471 KYQOOIQRIRKMNX-UWVGGRQHSA-N 205.257 2.008 0 40 BEAB Cc1cc(Br)cnc1C(C)(C)O 167419957 JDHRXKGTISZWKW-UHFFFAOYSA-N 230.105 2.380 0 40 BEAB CCOC(=O)CCSc1ccc(C)cn1 179795087 UXTXNFDXUOCXPR-UHFFFAOYSA-N 225.313 2.435 0 40 BEAB CCOC(=O)[C@H](CC)SC[C@@H]1CCN(C)C1 194542838 ULEQCGSQZDXPRV-MNOVXSKESA-N 245.388 2.013 0 40 BEAB C[C@H]1C[C@H](N[C@H](C)Cn2cncn2)CC[C@H]1C 195566059 UVRGJFLYRFVXHE-YVECIDJPSA-N 236.363 2.081 0 40 BEAB COCCN(C(=O)CC1CC1)[C@@H]1CC[C@H](C)C1 195580187 GFCAHIYJZZLGMT-WCQYABFASA-N 239.359 2.450 0 40 BEAB COc1ccccc1[C@@H](CN)N1CCC[C@@H](C)C1 216076820 AWACISUOWGQNCH-TZMCWYRMSA-N 248.370 2.427 0 40 BEAB CC(C)NC(=O)c1ccc2[nH]c(Cl)nc2c1 225973705 UNLNGTFTSXOXFE-UHFFFAOYSA-N 237.690 2.355 0 40 BEAB CN(CCc1ccncc1)c1ncc(Cl)cn1 267092136 MWMQZUBTWSWNPP-UHFFFAOYSA-N 248.717 2.204 0 40 BEAB CC[C@H](C)OCc1c(Br)cnn1C 408715786 DPGYNGHCSTTXNM-ZETCQYMHSA-N 247.136 2.498 0 40 BEAB Fc1ccc(OC2CCSCC2)nc1 585654207 PCNNXWZUWPHQSU-UHFFFAOYSA-N 213.277 2.495 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@H](C(C)C)CC[C@@H]1C 3845740 QEDHJKYYYBPRDH-ZMLRMANQSA-N 226.316 2.437 0 40 BEAB NC(=O)c1ccc(CNCc2cccs2)cc1 37117293 KLHXEAOIFLPWHT-UHFFFAOYSA-N 246.335 2.137 0 40 BEAB CC(C)C(=O)N1CCc2sccc2C1 32883735 UBBLNARLUNHCJV-UHFFFAOYSA-N 209.314 2.289 0 40 BEAB CCCCNC(=S)Nc1cccnc1 6331777 LWVMVXSTQADVTC-UHFFFAOYSA-N 209.318 2.168 0 40 BEAB Nc1csc(N2CCc3ccccc3C2)n1 103693854 VEMOJVHWYJZWFV-UHFFFAOYSA-N 231.324 2.288 0 40 BEAB COCCNC(=O)Nc1cccc(Cl)c1F 43450732 MVYAKKAJIPKHRW-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB CN1CCn2c(nc3cccc(Cl)c32)C1 21799887 PEPBELAXPHOOTO-UHFFFAOYSA-N 221.691 2.135 0 40 BEAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1 25592980 RZGOKNIVAKPJEW-SECBINFHSA-N 219.284 2.224 0 40 BEAB COc1ccc(/C=C2\SC(=O)NC2=O)cc1 1865441 VRUKGUBMRBLJJW-TWGQIWQCSA-N 235.264 2.019 0 40 BEAB in-vivo O=C1Cc2c(cccc2C(F)(F)F)N1 26894661 VLBLBNNXRMUDPT-UHFFFAOYSA-N 201.147 2.200 0 40 BEAB CCOCC(=O)Nc1ccccc1CC 2069474 NGUIVUIDYXZNQZ-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB C[C@@H](NC(=O)NC1CC1)c1ccc(F)cc1 12893052 YZLNXJPUSDKABS-MRVPVSSYSA-N 222.263 2.348 0 40 BEAB CCCNC(=O)CSc1ccc(O)cc1 38078794 ZQWRQCYGYKWAHC-UHFFFAOYSA-N 225.313 2.011 0 40 BEAB CCONC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 49346464 RZWARJJZDJLAAD-OLZOCXBDSA-N 249.310 2.222 0 40 BEAB CC(C)(C)c1cccc(Oc2nn[nH]n2)c1 8577878 YHTOHELNPXFSHO-UHFFFAOYSA-N 218.260 2.290 0 40 BEAB CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 39242454 GBWGGPUIWKWJIT-UHFFFAOYSA-N 230.304 2.306 0 40 BEAB in-vitro O=C(NCc1ccccn1)c1ccc(Cl)nc1 8289947 NWAZEDLMSGMFGS-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB O=C(O)c1ccc(CN2CCCC2)s1 16943912 IXJBEWGBFYWXLX-UHFFFAOYSA-N 211.286 2.042 0 40 BEAB in-vitro CCCC[C@@H](CC)CNC(=O)NOC 71802050 KUYDNCMSIMVXAB-SECBINFHSA-N 202.298 2.063 0 40 BEAB c1nnc2n1C[C@H](CNC1CCCCCC1)CC2 71877313 GETRVWGJIADPBQ-LBPRGKRZSA-N 248.374 2.153 0 40 BEAB CC(C)N(C(=O)N1CCOCC1)C1CCCC1 97052308 KGPAFUGLTGDAKY-UHFFFAOYSA-N 240.347 2.092 0 40 BEAB C[C@H](C(=O)Nc1cnccn1)c1ccccc1F 97146421 OSZNASUREKGHCM-VIFPVBQESA-N 245.257 2.358 0 40 BEAB O=C1N[C@H](c2ccc(Cl)o2)Nc2ncccc21 72302525 JKDFJYULBDXWAL-SNVBAGLBSA-N 249.657 2.182 0 40 BEAB CNC(=O)N(C1CC1)[C@@H](C)c1ccco1 84661197 KHNCMXNPIVFBPK-QMMMGPOBSA-N 208.261 2.144 0 40 BEAB COc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1 22222377 AEZAJJACDUCXGH-DOMZBBRYSA-N 248.370 2.427 0 40 BEAB Cc1cc(C)n(CCCNCc2cccnc2)n1 98081504 RKOYGKDERVMVMM-UHFFFAOYSA-N 244.342 2.075 0 40 BEAB O=C(O)[C@@H]1O[C@@H]1c1ccc(C(F)(F)F)cc1 62711005 ZDLLJVUVFZWVIE-HTQZYQBOSA-N 232.157 2.230 0 40 BEAB CC(=O)[C@@H](CCC(=O)O)c1ccccc1 39255328 IOWZXZAFYLFVTA-LLVKDONJSA-N 206.241 2.224 0 40 BEAB COc1ccc(N)c(C)c1Br 66325710 UTEPYBWRDYWTJH-UHFFFAOYSA-N 216.078 2.348 0 40 BEAB C=CS(=O)(=O)c1nc2ccccc2s1 35322413 KQANLUPCSMZGHR-UHFFFAOYSA-N 225.294 2.214 0 40 BEAB CCOC(=O)c1cc(N)c(F)c(Cl)c1 124883586 ICYUHGNXXLESBT-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 72227333 AAZUWUNMNWDQID-KGLIPLIRSA-N 238.290 2.102 0 40 BEAB CC[C@H](NC)[C@H]1CCCN1C(=O)OC(C)(C)C 72207650 WWMPDIOQYHCOOR-WDEREUQCSA-N 242.363 2.384 0 40 BEAB NC[C@H](F)c1cccc(Br)c1 211948027 CWAHHQSCBWJANH-QMMMGPOBSA-N 218.069 2.418 0 40 BEAB CCn1cc(-c2nccc(Cl)n2)cn1 72226224 QEZLNRKASLUMRO-UHFFFAOYSA-N 208.652 2.013 0 40 BEAB COc1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1F 189446688 SUQRMRFVNRPRNM-CBAPKCEASA-N 223.247 2.429 0 40 BEAB CCOC(=O)C[C@@H](NC1CC1)c1ccccc1 72210267 JHJGVLZLXIUSNK-CYBMUJFWSA-N 233.311 2.433 0 40 BEAB Cc1ccc(OCc2ccccn2)cn1 335967135 AZONPNISLZBTCB-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB CCCn1cc(CNCC(C)C)c(C)n1 70631432 UIHXVLIGEAUOAO-UHFFFAOYSA-N 209.337 2.347 0 40 BEAB CCc1c(-c2cccc(O)c2)noc1N 228949076 QYYGNWIFPDSKBQ-UHFFFAOYSA-N 204.229 2.192 0 40 BEAB CCO[C@@H](CN)c1ccc(Br)cc1 42956408 KOHMHCBVMUCCJN-JTQLQIEISA-N 244.132 2.485 0 40 BEAB Cc1c(/C=C/C(=O)O)cnn1-c1ccccc1 44214523 PSQAGWCCCDMNER-BQYQJAHWSA-N 228.251 2.279 0 40 BEAB N#C[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O 148210620 WKJWBZVHAHPTON-MRVPVSSYSA-N 243.184 2.472 0 40 BEAB CCOc1c(F)cc(F)cc1[C@H](C)O 95739431 QIQZBLOJWNKZPU-LURJTMIESA-N 202.200 2.417 0 40 BEAB COc1ccc(CCOC(C)=O)cc1C 95730007 MFEGOPSFTXNRCP-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB CC(C)(C)C(=O)N1CCc2cnccc21 96501713 PHZPZCUAANLNRE-UHFFFAOYSA-N 204.273 2.017 0 40 BEAB Cc1cc(N)c(N2C[C@H](C)O[C@H](C)C2)cc1C 256053361 RDKHDMXDMFSZCX-TXEJJXNPSA-N 234.343 2.499 0 40 BEAB c1cc([C@@H]2COCCN2C2CCCCC2)[nH]n1 257283094 OWSWIHPUCRYLBC-ZDUSSCGKSA-N 235.331 2.116 0 40 BEAB CCOC(=O)[C@H]1CCN[C@H]1c1cccc(F)c1 257197786 JEAZYSLWBMPPRO-RYUDHWBXSA-N 237.274 2.039 0 40 BEAB O=C(Nc1ccccc1)c1cn(C2CCC2)nn1 648213075 VGEHVFFBEFJZGK-UHFFFAOYSA-N 242.282 2.255 0 40 BEAB C[C@@H](N)[C@@H](OC1CCOCC1)c1ccccc1 42904332 HIUSWVFHVDKMEN-BXUZGUMPSA-N 235.327 2.271 0 40 BEAB in-vitro CC(=O)N(C)Cc1nc2ccccc2s1 45237549 URACTGLOQGWJGN-UHFFFAOYSA-N 220.297 2.275 0 40 BEAB in-vitro O=C(O)c1cc(F)cc(N2CCCC2)c1 82712940 MFLMOXMEPFGHDK-UHFFFAOYSA-N 209.220 2.124 0 40 BEAB in-vitro CCCC[C@@H](C)C(=O)N1CC(C(C)(C)O)C1 225736482 WQVSPWGKOBIQSE-SNVBAGLBSA-N 227.348 2.042 0 40 BEAB C[C@@H](NN)c1ccc(F)c(C(F)(F)F)c1 161799504 VFQIAWQBECCFLJ-RXMQYKEDSA-N 222.185 2.369 0 40 BEAB Nc1nnc(/C=C/c2ccc(Cl)cc2)o1 16952647 XXROIJAASWJIDO-ZZXKWVIFSA-N 221.647 2.476 0 40 BEAB O=C(O)C(=O)c1cc(Cl)sc1Cl 37379701 NYEQOASPWDUDFX-UHFFFAOYSA-N 225.052 2.322 0 40 BEAB in-vitro O=CN[C@@H]1CCCc2c1[nH]c1ccccc21 173768 VQXQVNSYZQRVQB-GFCCVEGCSA-N 214.268 2.291 0 40 BEAB C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 270032 SOGPHQRDWZPROD-SECBINFHSA-N 245.369 2.169 0 40 BEAB CC(=O)Nc1nnc(-c2cccc(C)c2)s1 292075 NUFGRLNQSGQRIC-UHFFFAOYSA-N 233.296 2.472 0 40 BEAB O[C@@H]1[C@@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1C2 519156 LGLZRUQGFUJOOH-VEGXAWMVSA-N 210.317 2.089 0 40 BEAB C/C=C(\C)C(C)(C(=O)OCC)C(=O)OCC 1717303 DSHUXZAYERSRTC-RMKNXTFCSA-N 228.288 2.085 0 40 BEAB NCCc1ccc(OC(=O)c2ccccc2)cc1 3603663 PNWXFZWRLOIYSY-UHFFFAOYSA-N 241.290 2.407 0 40 BEAB COC(=O)[C@]1(C(F)(F)F)CC(C)=C(C)CO1 4698301 JXWPSSTYUHCORO-VIFPVBQESA-N 238.205 2.217 0 40 BEAB CSc1nnc(NC(=O)NC(C)(C)C)s1 4851419 IYDQFJZBGPZPLP-UHFFFAOYSA-N 246.361 2.180 0 40 BEAB O=C(Nc1c[nH]c2ccccc12)N1CCOCC1 5299815 XAAXMWDVGLNGQB-UHFFFAOYSA-N 245.282 2.032 0 40 BEAB Cc1cc(C(=O)Nc2nc(C)cs2)on1 7990647 DUWADAYZWCHILG-UHFFFAOYSA-N 223.257 2.000 0 40 BEAB Cc1nc2ccccc2n1CC(=O)OC(C)C 8701345 CKVOHOUXTXMBTI-UHFFFAOYSA-N 232.283 2.296 0 40 BEAB COc1cc(OC)c2c(=O)cc(C)oc2c1 13334543 ARFUTALOPVWOBA-UHFFFAOYSA-N 220.224 2.119 0 40 BEAB biogenic Cc1ccc(C(=O)N2CCCC[C@H]2CCO)cc1 16291902 QMYYCSPOMYCUCC-AWEZNQCLSA-N 247.338 2.372 0 40 BEAB COC(=O)/C=C(/C)Nc1ccc(NC(C)=O)cc1 16954404 WANPDXWQIWPKQO-HJWRWDBZSA-N 248.282 2.134 0 40 BEAB Cc1cc(C(=O)O)ccc1NC(=O)C(F)(F)F 20137004 DMBNKOMLHPNNJZ-UHFFFAOYSA-N 247.172 2.194 0 40 BEAB COc1ccccc1-c1cccc(C(=O)O)n1 20443276 YKISLHFFDIVAAF-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CC(C)NC(=O)N1CCc2sccc2C1 22382149 YFQNLOKDROKUOK-UHFFFAOYSA-N 224.329 2.224 0 40 BEAB CCS(=O)(=O)/C=C\c1cccs1 31723570 YYCVTKBJQOAYGD-ALCCZGGFSA-N 202.300 2.154 0 40 BEAB Cc1cccc(C(=O)N2CCCCCC2)n1 32909027 WFMOFWHQSMHXON-UHFFFAOYSA-N 218.300 2.406 0 40 BEAB C[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1 36383201 OERBUQKWFDTHOF-SCZZXKLOSA-N 233.233 2.260 0 40 BEAB Cc1n[nH]cc1CN[C@H]1CCOc2ccccc21 37074407 YGQOGPHLEPIFOL-ZDUSSCGKSA-N 243.310 2.332 0 40 BEAB CCn1c(CC(=O)O)nc2cc(Cl)ccc21 40928810 VIPYBDDITRONIR-UHFFFAOYSA-N 238.674 2.337 0 40 BEAB CCOC(=O)N1CC[C@@H]2Nc3ccccc3[C@@H]2C1 44563928 VBDDIOPVRQTWKP-AAEUAGOBSA-N 246.310 2.427 0 40 BEAB Cc1c(N)cnn1-c1ccc(F)cc1F 48218388 IGNIUFNYRJIEEA-UHFFFAOYSA-N 209.199 2.041 0 40 BEAB O=C(N[C@H]1CCc2ccccc21)c1ccccn1 48413046 JUDABKBJNFUEOD-ZDUSSCGKSA-N 238.290 2.499 0 40 BEAB CCS(=O)(=O)N[C@H](c1ccccc1)C(C)C 48903786 HHBWFFLNMFXESC-LBPRGKRZSA-N 241.356 2.323 0 40 BEAB Cc1nn(C)c2sc(C(=O)N(C)C3CC3)cc12 49218123 HKVGQARAHSZSAY-UHFFFAOYSA-N 249.339 2.178 0 40 BEAB O[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 51996520 JCGSQQHJICCUPA-GJZGRUSLSA-N 231.339 2.047 0 40 BEAB Cc1cnn(CCNCc2ccc(C)s2)c1 53534762 DYTXEUXUFSILQE-UHFFFAOYSA-N 235.356 2.351 0 40 BEAB Cc1c2c(nc3cc4c(cc13)OCO4)CCOC2 58330135 NIRJSHCBRRGOMR-UHFFFAOYSA-N 243.262 2.345 0 40 BEAB COCCN(C1CC1)C1Cc2ccccc2C1 69664039 PVUIYMTVQYJLIE-UHFFFAOYSA-N 231.339 2.265 0 40 BEAB c1cc(CN2CCCC2)c2c(c1)NCC2 71790494 QCEYXASRSSAPAH-UHFFFAOYSA-N 202.301 2.250 0 40 BEAB in-vitro Cc1cc(-c2cnoc2[C@H]2CCCNC2)on1 72397698 BGCOVJVUXOFBFM-VIFPVBQESA-N 233.271 2.105 0 40 BEAB CC(C)n1c(Cn2ccnc2)ccc1C(=O)O 78404695 PQQBLDQVHXRFLN-UHFFFAOYSA-N 233.271 2.012 0 40 BEAB COc1ccc(-c2nnc(N)s2)cc1C 84013170 PWZOENVTFRUWNW-UHFFFAOYSA-N 221.285 2.104 0 40 BEAB Cc1nc(COC(=O)C[C@@H](C)CC(C)C)no1 84281366 XJULOTKFAKWCBX-VIFPVBQESA-N 240.303 2.494 0 40 BEAB CCCc1cc(N[C@@H](C)C2CC2)n2ncnc2n1 84758977 YIRFOIPMASTBMR-VIFPVBQESA-N 245.330 2.287 0 40 BEAB CCN(C(=S)NC1CC1)C1CCCC1 84761158 PYOLYPQYHRLGGT-UHFFFAOYSA-N 212.362 2.288 0 40 BEAB CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C 84791181 XNAKQQFUKBGYFY-NXEZZACHSA-N 243.347 2.127 0 40 BEAB COc1cc(C)c(/C=C/C(=O)O)c(C)c1 94993277 CRABHSBVXYCVLT-SNAWJCMRSA-N 206.241 2.410 0 40 BEAB in-vitro O=Cc1ccc(COC[C@@H]2CCCO2)cc1 95738656 ACCVCQTVNOUEIZ-ZDUSSCGKSA-N 220.268 2.195 0 40 BEAB Cc1ccc2c(n1)OCCN2C(=O)[C@H]1CC1(C)C 95985616 HYFBKEJXDOOTHI-SNVBAGLBSA-N 246.310 2.162 0 40 BEAB CCSCCn1cc(-n2cccc2)cn1 95993915 ZAICHNBIOVFDBW-UHFFFAOYSA-N 221.329 2.427 0 40 BEAB O=Cc1cc2cncc(Br)c2[nH]1 96306866 OESGKDSVODIVOU-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Cc1occc1C(=O)OCC[C@@H]1CCCO1 96453102 KDINNICJJCFESV-JTQLQIEISA-N 224.256 2.314 0 40 BEAB COC(C)(C)CNC(=O)NCCC1=CCCC1 96483854 NCOVEJCIHFCTAS-UHFFFAOYSA-N 240.347 2.211 0 40 BEAB COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccco1)C2 97084944 BKOGVIJRUSKVKY-SMDDNHRTSA-N 249.310 2.055 0 40 BEAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101538777 VKQOAGZLAPUKRD-RTXFEEFZSA-N 230.311 2.134 0 40 BEAB NC(=O)c1ccnc(C2CCCCC2)c1 140739147 UKCDTMVVTNKFTN-UHFFFAOYSA-N 204.273 2.228 0 40 BEAB CC(C)C[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 144371452 FSXUSDAPZUNAFB-WDEREUQCSA-N 243.347 2.403 0 40 BEAB COCC[C@@H](C)Nc1c[nH]nc1-c1ccccn1 187505177 AQZMWLNNNQLZAK-SNVBAGLBSA-N 246.314 2.309 0 40 BEAB CC(=O)N1CC[C@H](Cc2ccnc(Cl)c2)C1 205700317 ARLFYUDSQDRRGQ-LLVKDONJSA-N 238.718 2.146 0 40 BEAB c1ccc2c(c1)CCN2C1[C@H]2CCC[C@H]1CNC2 253596555 SRVWVZSGTDUPKO-KBPBESRZSA-N 242.366 2.437 0 40 BEAB CC[C@H](C)n1nccc1CNC[C@@H]1CCCO1 256051099 HSCYJSXBRXJCHC-AAEUAGOBSA-N 237.347 2.123 0 40 BEAB C1CCC(CO[C@@H]2CO[C@]3(CCCNC3)C2)C1 306133086 MBHRFNVHFKBORM-UONOGXRCSA-N 239.359 2.104 0 40 BEAB COC(=O)c1cccc(C(=O)CCSC)c1 390594181 TZHORRNTAIWOBK-UHFFFAOYSA-N 238.308 2.409 0 40 BEAB CC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147952 KDGSEVNLIDXORU-ZDUSSCGKSA-N 245.278 2.116 0 40 BEAB Cc1cc(C(F)(F)Br)n[nH]1 1565504895 CYVPIDIJEGEGCJ-UHFFFAOYSA-N 211.009 2.162 0 40 BEAB Cc1cncc(C(=O)NCCC2=CCCCC2)n1 1889084187 WNFGIGGOZHEORU-UHFFFAOYSA-N 245.326 2.405 0 40 BEAB CC(C)OC(=O)c1cc2ccccc2oc1=O 106919 QPPAJPWUSODCEM-UHFFFAOYSA-N 232.235 2.358 0 40 BEAB Cc1c(-c2nn[nH]n2)sc2ccccc12 172484 VKUBQHJCJJQUFE-UHFFFAOYSA-N 216.269 2.390 0 40 BEAB O=Cc1cnn(-c2ccccc2)c1Cl 383870 NSFKRTCSUBXVIK-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB biogenic CC[C@](O)(CCN(C)C)c1ccccc1 1656388 SNVUWIFPJAVATJ-ZDUSSCGKSA-N 207.317 2.236 0 40 BEAB Cc1ccc([C@H](O)CCC(=O)O)c(C)c1 4993475 FKPRMHFIKWTZCB-LLVKDONJSA-N 208.257 2.202 0 40 BEAB Cc1ccccc1CSc1nc(N)cc(N)n1 5229307 JSFIHWRBEBUGKU-UHFFFAOYSA-N 246.339 2.242 0 40 BEAB CSc1nc(N(C)C)c2ccccc2n1 5525042 KGOWOUCRJSTHHU-UHFFFAOYSA-N 219.313 2.418 0 40 BEAB CCNC(=S)Nc1ccc(F)c(F)c1 7571425 HYMVNYMBNPHZSY-UHFFFAOYSA-N 216.256 2.271 0 40 BEAB CSc1ccccc1N[C@@H](C)C(=O)O 8702710 YDKLITVILJYYGR-ZETCQYMHSA-N 211.286 2.294 0 40 BEAB CCOc1ccc(C[C@H](C)C(=O)O)cc1 11976570 UVCZHRCJBBFDBB-VIFPVBQESA-N 208.257 2.349 0 40 BEAB O=C(Cn1cccn1)NC1CCCCCCC1 12984544 RZBJXRRZYAQRFD-UHFFFAOYSA-N 235.331 2.112 0 40 BEAB O=Cc1c(NCC2CC2)c2ccccc2[nH]c1=O 13997051 LLDQKZJJIWBRMC-UHFFFAOYSA-N 242.278 2.163 0 40 BEAB Cc1nc2n(c(=O)c1CCC(C)C)CCS2 14608412 IKYYHYPALPMHTO-UHFFFAOYSA-N 238.356 2.246 0 40 BEAB O=Cc1ccc(OCC2CCOCC2)cc1 20357631 MUPNXAROCAYRCG-UHFFFAOYSA-N 220.268 2.305 0 40 BEAB CCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21 22064446 JCSREICEMHWFAY-HUUCEWRRSA-N 247.338 2.490 0 40 BEAB in-man O=C(N[C@H](C(=O)O)c1ccccc1)C1CCCC1 22142965 SYOBZRCRSSQUOI-LBPRGKRZSA-N 247.294 2.119 0 40 BEAB O=C(NCC[C@@H]1CCCO1)NCc1ccccc1 25236729 UMBDXVFHHGEBAV-ZDUSSCGKSA-N 248.326 2.055 0 40 BEAB Cc1ccc(C)c(OCC(=O)NC2CC2)c1C 28942689 WRIFXNAFASQQOE-UHFFFAOYSA-N 233.311 2.269 0 40 BEAB OC/C=C/c1ccccc1Br 34288026 GZGNPOOSJRVAAL-HWKANZROSA-N 213.074 2.455 0 40 BEAB Nc1cccc(CS(=O)(=O)c2ccccc2)c1 35309353 HBPCCGVNCORBGU-UHFFFAOYSA-N 247.319 2.243 0 40 BEAB in-vitro Cc1nc([C@@H](N)c2ccc(Cl)cc2)no1 36762211 ZSAXBGLRHFBPER-VIFPVBQESA-N 223.663 2.080 0 40 BEAB in-vitro O[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 40412249 QFNYINOOGHNNRA-SECBINFHSA-N 246.232 2.062 0 40 BEAB O=C(O)c1cncc(OCc2ccccc2)c1 43220732 MWWYJDHPRJSMBL-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB CCOC(=O)Cc1ccc(F)c(F)c1F 43503691 NLMGOJUEGJDZGZ-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB COC1CCN(C(=O)C2CCCCC2)CC1 44892111 ARZCONZDKLBPMD-UHFFFAOYSA-N 225.332 2.204 0 40 BEAB CC(C)(C)c1nc(CN2CCOCC2)cs1 48056380 XHVUPNITVPJJEY-UHFFFAOYSA-N 240.372 2.273 0 40 BEAB CCCSCC(=O)N1CCC[C@@H](C)C1 48370916 NFWBZRGPAHSZFJ-SNVBAGLBSA-N 215.362 2.388 0 40 BEAB CN(C[C@@H]1CCCO1)C(=O)NC1CCCCC1 65517269 LZLGLTMEIOAXQA-LBPRGKRZSA-N 240.347 2.140 0 40 BEAB COc1cc(CO)c2ccc(F)c(F)c2n1 66331904 OQYGHEJPTKXFDC-UHFFFAOYSA-N 225.194 2.014 0 40 BEAB C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 71856463 GGRWGASDGBEPAU-KOLCDFICSA-N 247.294 2.334 0 40 BEAB COC(=O)c1ccc(NC(C)(C)C)nc1C 72225004 HKSURGFPWDHJID-UHFFFAOYSA-N 222.288 2.387 0 40 BEAB c1cnc2c(C[C@H]3CNCCOC3)cccc2c1 72344404 HAFXZIZXIDYPHU-LBPRGKRZSA-N 242.322 2.013 0 40 BEAB C[C@H](SCC(N)=O)c1cccs1 77961218 GXYUFRGGMAGRRN-LURJTMIESA-N 201.316 2.028 0 40 BEAB Cc1ccoc1C(=O)O[C@@H](C)Cn1cccn1 83792779 DYKFDJYIWAYABN-JTQLQIEISA-N 234.255 2.030 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCc1cccc(N(C)C)c1 84686920 BHOUCIBMVXXFAC-GWCFXTLKSA-N 232.327 2.025 0 40 BEAB Fc1ccc2c(-c3ccncc3)n[nH]c2n1 85210285 LDIZPXORSNKLLJ-UHFFFAOYSA-N 214.203 2.159 0 40 BEAB Cn1nccc1CNc1nccc2occc12 91428270 VKPIORBTYNRVHX-UHFFFAOYSA-N 228.255 2.173 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCNC[C@H]2C)c1C 94345006 KBLVNRQZEBKUOV-RISCZKNCSA-N 246.354 2.031 0 40 BEAB N[C@@H](c1cccnc1Br)C1CC1 95664875 VMEPWHBKQFRJKX-MRVPVSSYSA-N 227.105 2.254 0 40 BEAB C[C@H](C[C@@H](O)c1ccccc1)NCc1ncc[nH]1 95978175 SKAGLMUJGKMDRO-DGCLKSJQSA-N 245.326 2.012 0 40 BEAB Cc1ccccc1[C@@H](CC(C)C)NCC(N)=O 96491719 ZXOQMAGYOWQJMB-CYBMUJFWSA-N 234.343 2.157 0 40 BEAB COC(=O)CCCSc1ncncc1Cl 97105121 YYKOWABASPQOJE-UHFFFAOYSA-N 246.719 2.175 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1C[C@@H](C(=O)O)C1(C)C 114928067 SUGWGGXZIXQNDM-YUMQZZPRSA-N 228.288 2.075 0 40 BEAB COC(=O)c1c[nH]c2c(Cl)nccc12 145105951 PCIPHVADYACKGY-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB CCc1ccc([C@H](NN)C(F)(F)F)cc1 161797193 WCAJMBILGGZNEL-VIFPVBQESA-N 218.222 2.316 0 40 BEAB Cc1nnc(COc2ccc3c(c2)CCC3=O)o1 188033501 GMSVDWVQDYONST-UHFFFAOYSA-N 244.250 2.086 0 40 BEAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)O)C1 203017401 KHMRJIBLRBENAX-MNOVXSKESA-N 239.702 2.070 0 40 BEAB CC(C)(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2N1 212420675 NAIBUAOSIHCYJN-MJVIPROJSA-N 238.375 2.212 0 40 BEAB COC(=O)c1cn(C)c2ccc(Cl)nc12 216121239 DQPWZCAFZRIIBO-UHFFFAOYSA-N 224.647 2.013 0 40 BEAB O=C(C1CC=CC1)N1CC(CC(F)F)C1 335384469 GXEGORZZUDIJLO-UHFFFAOYSA-N 215.243 2.066 0 40 BEAB C1=CCN(c2cc(C3CC3)ncn2)CC1 641501760 CQSBQJVYBQAGKA-UHFFFAOYSA-N 201.273 2.120 0 40 BEAB COCOc1cc(C=O)c(F)c(F)c1Cl 725325911 JUHKQOUMUZNEBN-UHFFFAOYSA-N 236.601 2.413 0 40 BEAB COC(=O)c1cc2c(ccc3oc(=O)ccc32)[nH]1 526031 CJJRPHJDGQCFII-UHFFFAOYSA-N 243.218 2.061 0 40 BEAB biogenic CC(=O)Oc1cccc2c1ccc1nonc12 1578492 HWAVHSKBMSFGII-UHFFFAOYSA-N 228.207 2.301 0 40 BEAB Cc1ccc(NC(=O)c2ccco2)c(N)c1 4954457 VQDYLHLZQFVFAQ-UHFFFAOYSA-N 216.240 2.423 0 40 BEAB O=C1Oc2ccc(O)cc2[C@H]1c1ccccc1 5604408 BRWDHRZYOYDXTG-CYBMUJFWSA-N 226.231 2.443 0 40 BEAB CC(C)[C@@H](C)NS(=O)(=O)c1cccs1 7212295 UOKNUUKFHRVIDV-MRVPVSSYSA-N 233.358 2.071 0 40 BEAB Cc1cccc(NC(=O)CN2CCCC2)c1 7786117 ZQFOATOSSJCREM-UHFFFAOYSA-N 218.300 2.029 0 40 BEAB CN[C@H](c1ccc(Cl)cc1)c1nccn1C 8390495 KZPXLWBEPOVTGV-LLVKDONJSA-N 235.718 2.382 0 40 BEAB CCc1n[nH]c(N)c1-c1ccccc1OC 8701452 JERIRZMDWZKEJZ-UHFFFAOYSA-N 217.272 2.230 0 40 BEAB Cc1nc(NC(=O)[C@H]2C[C@@H]2C)sc1C 13021330 FIRYCVGSZAANRZ-XNCJUZBTSA-N 210.302 2.354 0 40 BEAB CCNC(=O)Nc1cc(F)ccc1F 19075103 YFRDSJXSSAILKI-UHFFFAOYSA-N 200.188 2.106 0 40 BEAB COC(=O)c1oc(C)c(Br)c1C 26506896 MIZZZOVTOKGRFA-UHFFFAOYSA-N 233.061 2.446 0 40 BEAB Cc1ccc(CNC(=O)C2(C)CCNCC2)cc1 32919282 VNNCHIGTWQBBKG-UHFFFAOYSA-N 246.354 2.001 0 40 BEAB C=CC(=O)Nc1cc(Cl)c(OC)cc1OC 36334219 ATXSCAYAPIDSHH-UHFFFAOYSA-N 241.674 2.482 0 40 BEAB in-vitro Cc1n[nH]c(Cc2ccc(Cl)cc2)n1 36960704 QEXAATUILWZHEJ-UHFFFAOYSA-N 207.664 2.357 0 40 BEAB COc1cc(C=O)c(OC)c2c1CCCC2 37627807 REFMYLDWAFTVEH-UHFFFAOYSA-N 220.268 2.395 0 40 BEAB Cc1cc(F)ccc1CN1CCC(N)CC1 38539810 PWLVBDYSCSPABV-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB CCCNC(=O)CCn1ncc2cc(C)ccc21 40758611 IFYWGTPMIAPKAA-UHFFFAOYSA-N 245.326 2.261 0 40 BEAB COc1ccc(OC)c([C@@H](O)C(F)(F)F)c1 42268309 ISIIPOVLZDIXRW-SECBINFHSA-N 236.189 2.300 0 40 BEAB Cc1ccc(CN2CCC(CN)CC2)s1 44511837 SXYCCXOEAJLHAG-UHFFFAOYSA-N 224.373 2.227 0 40 BEAB CCCC1CCC(N[C@@H]2CCCNC2=O)CC1 50394764 LDNUCEVIISZONB-WXRRBKDZSA-N 238.375 2.214 0 40 BEAB CNC[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 54588467 GBFQCYNTWBMCGP-AAEUAGOBSA-N 204.317 2.076 0 40 BEAB CN(C)[C@H](CO)c1ccc(C(F)(F)F)cc1 70453069 NXQGKXXONBHCTQ-SNVBAGLBSA-N 233.233 2.300 0 40 BEAB COc1ccccc1[C@H]1CCCCN1C=O 72221492 SHUMXPMIEVZISD-GFCCVEGCSA-N 219.284 2.379 0 40 BEAB COc1c(Br)csc1C(=O)O 82302554 OLDGPQVUEMIBNR-UHFFFAOYSA-N 237.074 2.217 0 40 BEAB COc1cccc(CC2(CN)CCC2)c1 83570253 JARCZMOBWDYULN-UHFFFAOYSA-N 205.301 2.367 0 40 BEAB O=C(CC1=CCCCC1)Nn1cccc1 85449491 KLJYOQVKCHQDSQ-UHFFFAOYSA-N 204.273 2.449 0 40 BEAB CCn1nc(N)c2cc3cc(C)ccc3nc21 89261498 HFMOPLUUABYUCH-UHFFFAOYSA-N 226.283 2.495 0 40 BEAB CSc1cc(C)ccc1CNC(C)=O 89626305 OUJWIPGUNPXOAV-UHFFFAOYSA-N 209.314 2.353 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(-c2ccccc2F)n1 95534759 CKLVWBXYFGVGAD-SNVBAGLBSA-N 234.278 2.267 0 40 BEAB CCOc1ccccc1N(C)Cc1noc(C)n1 95974429 SXYYQZANGUXFRT-UHFFFAOYSA-N 247.298 2.413 0 40 BEAB NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003120 DGIIMYOHAATLJZ-UHFFFAOYSA-N 236.605 2.432 0 40 BEAB Fc1ccc(COC2CC3(CNC3)C2)cc1 96509099 CBHBBQJNOCNATE-UHFFFAOYSA-N 221.275 2.094 0 40 BEAB NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100006531 TZWXPIKAEAYGPF-ZIAGYGMSSA-N 216.328 2.141 0 40 BEAB CCN(CC)c1ccc2ccc(C(=O)O)cn12 103409423 CTPNGDFJHBGPKE-UHFFFAOYSA-N 232.283 2.484 0 40 BEAB Fc1cccc(F)c1NC(=S)NC1CC1 135763392 GGWFMQWSSIHEPL-UHFFFAOYSA-N 228.267 2.414 0 40 BEAB CCOC(=N)c1ccccc1C(=O)OCC 199565375 XHQMRLMDASGVAG-UHFFFAOYSA-N 221.256 2.225 0 40 BEAB CC(C)Oc1cc(C(=O)O)cc2c1CCO2 218821176 YJKKYAIIQWCOIS-UHFFFAOYSA-N 222.240 2.107 0 40 BEAB COCC(=O)c1ccc(Br)c(F)c1 229182410 YTIUIOPPDKPUTF-UHFFFAOYSA-N 247.063 2.417 0 40 BEAB Cc1nn(CC(C)C)cc1NCc1ccn(C)n1 256050348 DSFFROQECGKKBT-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB COC(=O)c1c([N+](=O)[O-])ccc(Cl)c1C 396147129 KWUNTFVZRGYQPQ-UHFFFAOYSA-N 229.619 2.343 0 40 BEAB CC(=O)c1c(NCc2ccco2)oc(C)cc1=O 33583 KRTOUGBCFLQQGS-UHFFFAOYSA-N 247.250 2.356 0 40 BEAB CCOc1cc(=O)oc2ccc(OC)cc12 58044 FYBUBXWSAKPMFF-UHFFFAOYSA-N 220.224 2.200 0 40 BEAB biogenic Cc1cc(C)nc(NC(=O)c2cccs2)n1 892668 FGORNEYTMPJOSC-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C[C@@]1(NC(N)=O)Cc2cccc3cccc1c23 2048587 KYXBQJSDQINBIO-CQSZACIVSA-N 226.279 2.279 0 40 BEAB O=C(O)CCCC(=O)c1cccc(F)c1F 2378714 UXSXZFMQBCGRRQ-UHFFFAOYSA-N 228.194 2.402 0 40 BEAB Cc1ccc(C)c(-n2cnnc2S)c1 3888198 BWUMYJYNUHZELL-UHFFFAOYSA-N 205.286 2.173 0 40 BEAB in-vitro COc1cc(OC)c2cc(C(C)=O)c(=O)oc2c1 5632248 VOPLTTRBWKQQOW-UHFFFAOYSA-N 248.234 2.013 0 40 BEAB S=c1[nH]c2nc(Cl)c(Cl)nc2[nH]1 6494826 AUBFNHOMWJCYQJ-UHFFFAOYSA-N 221.072 2.322 0 40 BEAB CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8558557 ZSSCBAYVGNQTKP-NSHDSACASA-N 221.300 2.207 0 40 BEAB CCNC(=O)CNc1ccc(C)cc1Cl 9366276 MLNYMLUGHSOEFP-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB CC(C)Cc1nc2c3ccccc3nc(O)n2n1 9940312 NLVBLYDJIKODSF-UHFFFAOYSA-N 242.282 2.182 0 40 BEAB CC[C@H](C)NC(=O)c1cccc(N(C)C)c1 12540380 GYCHCHKCRMYFSB-JTQLQIEISA-N 220.316 2.281 0 40 BEAB COCC(=O)Nc1ccc(C)cc1Cl 12894623 YMECMCNZZVJRGH-UHFFFAOYSA-N 213.664 2.233 0 40 BEAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CCC2 12898145 LVIKHFVSQALAMQ-CQSZACIVSA-N 245.322 2.084 0 40 BEAB Fc1ccccc1NC(=S)Nc1cnccn1 13784771 RQCUFSNFNMSMDE-UHFFFAOYSA-N 248.286 2.425 0 40 BEAB Cc1nnc(NC(=O)C[C@H]2C=CCC2)s1 14633464 BJTQSFUABGKDBB-QMMMGPOBSA-N 223.301 2.141 0 40 BEAB CCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 20039817 RARMGMGBAHXHJP-SECBINFHSA-N 239.340 2.312 0 40 BEAB Cc1ccc2nc(CNC(C)C)[nH]c2c1 22122043 QNHKSYLPJPAIIN-UHFFFAOYSA-N 203.289 2.369 0 40 BEAB COC(=O)c1ccc(NC(=O)C=C(C)C)s1 22897816 OQAXAOKBMVCFRT-UHFFFAOYSA-N 239.296 2.439 0 40 BEAB CCOC(OCC)c1ccc(C(=O)O)cc1 26895966 SXKPTFCPCFPXHO-UHFFFAOYSA-N 224.256 2.456 0 40 BEAB O=c1ccccn1Cc1cc(-c2ccco2)on1 32764925 GFUMULUFIXBFMZ-UHFFFAOYSA-N 242.234 2.145 0 40 BEAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCCC1 33040181 FEEFIBVJWZRKLH-LBPRGKRZSA-N 244.338 2.060 0 40 BEAB O=C(O)c1c(Cl)cnc(F)c1Cl 36467253 MXARXLYFYAKILY-UHFFFAOYSA-N 209.991 2.226 0 40 BEAB Cc1ccc([C@@H](CN)N2CCCC2)cc1C 37179866 INJUAPOOOREKPT-CQSZACIVSA-N 218.344 2.399 0 40 BEAB O=C(COCC(F)(F)F)c1ccccc1 37346478 JIDCBOBNGAZMLN-UHFFFAOYSA-N 218.174 2.448 0 40 BEAB CC(C)c1noc(CN2CCC[C@H](C)C2)n1 40489559 YNLSRZIZWBKTCB-JTQLQIEISA-N 223.320 2.425 0 40 BEAB C[C@H](NC(=O)C[C@H]1C=CCC1)[C@@H]1CCCO1 40509088 FNTBMUSIRMAWMP-SRVKXCTJSA-N 223.316 2.026 0 40 BEAB Nc1cc(-c2ccc(Br)o2)ncn1 44262438 RBVQDZHVLDPUFG-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB in-vitro NC(=O)c1ccc2sc(Cl)nc2c1 45237781 UQSDIXGADTUHOS-UHFFFAOYSA-N 212.661 2.049 0 40 BEAB Cc1nc(CC(=O)N2CCC[C@@H](C)C2)cs1 48324698 ADMDUHQQBUKQCO-SECBINFHSA-N 238.356 2.253 0 40 BEAB c1ccc(CN2CCC[C@@H]2CNC2CC2)cc1 53649315 CDWNMFBKHYTWNM-OAHLLOKOSA-N 230.355 2.403 0 40 BEAB CO[C@@H](CN)c1ccc(C(F)(F)F)cc1 62711442 SZLGUFFPYGMAFW-VIFPVBQESA-N 219.206 2.352 0 40 BEAB CNC(=O)c1csc(CCc2ccccc2)n1 69808597 LUOZWJIAGMUDPE-UHFFFAOYSA-N 246.335 2.288 0 40 BEAB CCCNc1ncccc1C1=NCCC1 72213115 LNUSDXAQYXOHQP-UHFFFAOYSA-N 203.289 2.486 0 40 BEAB Cc1nc(O)ccc1[C@@H]1CCCCN1C 72218214 OCWOREFOOKJVKG-NSHDSACASA-N 206.289 2.252 0 40 BEAB Cc1ccc(F)cc1NC(=O)Cc1ccon1 72292845 AZTSNXKRAFIBEI-UHFFFAOYSA-N 234.230 2.303 0 40 BEAB Cc1nccc(Nc2ccc3c(c2)CC(=O)N3)n1 78259535 GLBMYJFKYOZSCV-UHFFFAOYSA-N 240.266 2.023 0 40 BEAB CCN1CC[C@@H](Nc2nc(C)ns2)C[C@@H]1C 78264302 ZYQWWBDRQZCJJL-WCBMZHEXSA-N 240.376 2.131 0 40 BEAB O=C(C1CCC1)N1CCOc2cc(F)ccc21 78789774 HFQPCQYTGPFSHZ-UHFFFAOYSA-N 235.258 2.351 0 40 BEAB CO[C@@]1(C)C[C@@H](N(C)c2ncccn2)C1(C)C 78968210 UDVJYLJFEYMEHN-MFKMUULPSA-N 235.331 2.116 0 40 BEAB C[C@@H]1CCC[C@@H]1Nc1cccc(C(N)=O)c1 83389874 IPAFVINMSOCLSX-SKDRFNHKSA-N 218.300 2.386 0 40 BEAB C[C@@H]1CCc2[nH]nc(C(=O)NC3CCCC3)c2C1 85951729 INRQTIVCFDDBII-SECBINFHSA-N 247.342 2.207 0 40 BEAB OCc1ccc(Br)c2cccnc12 95929761 LRNHUBDXQVUBHJ-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB COc1ccc(COC(=O)[C@@H]2CC=CCC2)cn1 96442967 VVIWPFYYAHCFPX-GFCCVEGCSA-N 247.294 2.490 0 40 BEAB CCn1nc(C)cc1C(=O)OC1(C2CC2)CC1 96459791 CJSXCLJESNLYMB-UHFFFAOYSA-N 234.299 2.311 0 40 BEAB Cc1cc(COC(=O)c2ccoc2)nc(C)n1 97110998 KDECOPRMGXYVFS-UHFFFAOYSA-N 232.239 2.043 0 40 BEAB Cc1ncccc1C(=O)N(C)c1ccccn1 98012566 SWOJWYLZBJTLNN-UHFFFAOYSA-N 227.267 2.062 0 40 BEAB COc1c(Br)ccc(C=O)c1OC 113182993 SDCMLDZFKNWYMR-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 125730585 YNEJIZAVWXWMTA-DTWKUNHWSA-N 240.100 2.038 0 40 BEAB CN1CCC[C@H](c2cc(-n3ccnc3)ccn2)C1 205695420 VPKKDFOUDFAMMT-LBPRGKRZSA-N 242.326 2.077 0 40 BEAB Cc1ccc([C@@H]2CCN(C)C[C@@H]2CO)cc1 224699659 PNSQELDDLYCOEM-KGLIPLIRSA-N 219.328 2.023 0 40 BEAB CC[n+]1cccc(-c2nc3ccc(N)cc3o2)c1 226777877 IRJKXYQWQVXOEU-UHFFFAOYSA-N 240.286 2.384 0 40 BEAB N[C@H](c1ccc2c(n1)CCCC2)C1CC1 242463601 DFLZPJFDHSIODM-ZDUSSCGKSA-N 202.301 2.370 0 40 BEAB CCCNC(=S)NC[C@@H]1C[C@H]2CC[C@H]1C2 252892306 NFUAHOFRICDJBM-DCAQKATOSA-N 226.389 2.297 0 40 BEAB Nc1cc(C2CC2)n2nc(C(F)(F)F)cc2n1 258355434 VGYKBLOGRXTGSR-UHFFFAOYSA-N 242.204 2.208 0 40 BEAB C[C@@H]1CC2(CCC2)CN1c1ncccn1 336137728 IEECKNRINNLKRX-SNVBAGLBSA-N 203.289 2.246 0 40 BEAB Oc1nnc([C@@H]2CCCO2)cc1C(F)(F)F 1535647239 GMCOZVYQRAOIGH-ZETCQYMHSA-N 234.177 2.053 0 40 BEAB N[C](Cc1ccc(Cl)c(Cl)c1)C(=O)O 1560408662 KIGYMEPODCITFD-UHFFFAOYSA-N 233.074 2.111 0 40 BEAB CC(=O)N1CC2(CC(c3ccccc3)C2)C1 1776000908 PNXFDQPKVZQLEF-UHFFFAOYSA-N 215.296 2.413 0 40 BEAB CC(C)NC[C@@H](O)COc1ccccc1C1CC1 659 RTAGQMIEWAAKMO-CYBMUJFWSA-N 249.354 2.302 0 40 BEAB in-man O=C(CNC1=NCCC1)c1ccc(Cl)cc1 238536 IIHBGJLIWSFSTL-UHFFFAOYSA-N 236.702 2.305 0 40 BEAB c1ccc(-c2nn3nnnc3c3ccccc23)cc1 1082309 YATFWJWMBNZTGR-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB biogenic O=C(Nc1ccc2nc[nH]c2c1)c1ccco1 1260787 TVBFOFWDKKVDRV-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB CC(C)(C)c1csc(N2CCOCC2)n1 1405930 DACHTFZJIFWGOE-UHFFFAOYSA-N 226.345 2.277 0 40 BEAB O=C(c1ccccc1)N1O[C@H]2C=C[C@@H]1CC2 1574035 UDSPWWLYUFTTAW-NEPJUHHUSA-N 215.252 2.161 0 40 BEAB CCNCC(=O)Nc1ccc(C)c(Cl)c1 1671761 UKIIBFWISLQIQE-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB c1cc[n+](Cc2ccc3nsnc3c2)cc1 2470170 OCPMYSATMJDSJL-UHFFFAOYSA-N 228.300 2.027 0 40 BEAB CCCCNC(=O)Cc1nc2ccccc2[nH]1 3888144 GACXFDYWYZDBMR-UHFFFAOYSA-N 231.299 2.022 0 40 BEAB in-vitro O[C@H]1[C@H]2CCC[C@@H]1CC[C@H]2N1CCCC1 4044748 KEVUJQHBGRUWPR-YVECIDJPSA-N 209.333 2.022 0 40 BEAB Cc1ccccc1NC(=S)NC(C)(C)CO 4575249 DUFUMVGJJFHWAY-UHFFFAOYSA-N 238.356 2.052 0 40 BEAB CCCCNC(=O)C(=O)Nc1ccccc1CC 4675794 IUQHQTSVCFYQDF-UHFFFAOYSA-N 248.326 2.104 0 40 BEAB CC[C@@H](CO)NC(=S)Nc1cccc(C)c1 7526408 OEYQNLAIZPQLSK-JTQLQIEISA-N 238.356 2.052 0 40 BEAB Cc1ccc(-n2nc(C(=O)O)cc2C)cc1 8700442 NKHBUGPSFOPHET-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB in-vitro O=C1C2=C(CCCC2)C(=O)N1Cc1ccccc1 9762132 TWXWBXDLOSIXQT-UHFFFAOYSA-N 241.290 2.426 0 40 BEAB N[C@@H]1CCOc2ccc(Br)cc21 11849016 ZESQTVMJJLDRNQ-MRVPVSSYSA-N 228.089 2.231 0 40 BEAB in-vitro CC(C)c1ccc(N2CC[C@H](C(=O)O)C2=O)cc1 11890899 OMXHAZIHQOVUIM-LBPRGKRZSA-N 247.294 2.248 0 40 BEAB in-vitro CC(C)C(=O)O[C@@H](C)[C@@H](C)OC(=O)C(C)C 17149675 RHWMVKOPNPKKPF-AOOOYVTPSA-N 230.304 2.162 0 40 BEAB CCCc1cc(=O)n(-c2ccccc2C)[nH]1 17832026 JJKICBMJZMRXKX-UHFFFAOYSA-N 216.284 2.427 0 40 BEAB COCCN[C@H](C)c1ccc(OC)c(F)c1 19881782 SHRADZNVKZJLIB-SECBINFHSA-N 227.279 2.131 0 40 BEAB O=C(O)Cc1scnc1-c1ccccc1 20439159 JSYNROPGKZVGRJ-UHFFFAOYSA-N 219.265 2.437 0 40 BEAB Cn1ccc(C(=O)Nc2ccc3c(c2)CCC3)n1 27971070 XPCXMXPWSXKJAO-UHFFFAOYSA-N 241.294 2.161 0 40 BEAB O=C(Nc1ccon1)[C@H]1C[C@@H]1c1ccccc1 28226093 OKPSZZHRDPVFOW-MNOVXSKESA-N 228.251 2.417 0 40 BEAB CCCCCCNC(=S)n1cccn1 35586120 APFZHEHTWFLRSH-UHFFFAOYSA-N 211.334 2.186 0 40 BEAB C[C@@H](CO)Nc1ncc(Cl)cc1Cl 35606974 JOIQREIDEWIFHN-YFKPBYRVSA-N 221.087 2.181 0 40 BEAB O=[S@@](O)c1ccc(OC(F)(F)F)cc1 36533518 QDSJFPQFFMRNDV-UHFFFAOYSA-N 226.175 2.166 0 40 BEAB Cc1n[nH]c(C)c1CNCCc1cccc(F)c1 36864866 FKCUKYZOFUOJSF-UHFFFAOYSA-N 247.317 2.498 0 40 BEAB CCCc1noc(-c2ccccc2C(=O)O)n1 36915805 MUJKOGHVUUFUDR-UHFFFAOYSA-N 232.239 2.387 0 40 BEAB CC[C@H](NC(=O)[C@H](N)CC)c1ccc(C)cc1 37028318 PNFCUPMXIZEYMX-OLZOCXBDSA-N 234.343 2.300 0 40 BEAB in-vitro C[C@@H](O)Cc1ccc(Br)cc1 37464627 PTJSRXRFTTYPFF-SSDOTTSWSA-N 215.090 2.372 0 40 BEAB CCOC(=O)[C@@H](N)c1cccc2ccccc12 37514901 JUADKWTZIPWOLO-ZDUSSCGKSA-N 229.279 2.403 0 40 BEAB biogenic CC[C@H](C)Nc1ccc(N)cc1C(=O)O 37930157 PAUGENIOTBUSOT-ZETCQYMHSA-N 208.261 2.177 0 40 BEAB CCN(CC)C[C@@H]1Cc2ccccc2N1 39018584 UDJRUPMXBYPCAW-LBPRGKRZSA-N 204.317 2.365 0 40 BEAB O=C(NCC(F)(F)F)c1c(F)cccc1F 41791017 QGODPVBGTVJAFU-UHFFFAOYSA-N 239.143 2.257 0 40 BEAB CCOC(=O)CCC(=O)Cc1ccccc1 43369207 ORGPSJHOOQCAES-UHFFFAOYSA-N 220.268 2.142 0 40 BEAB in-vitro COC(=O)c1cc(C)cc2nc(C)oc12 43827650 RXSJCIPIBSXOEX-UHFFFAOYSA-N 205.213 2.231 0 40 BEAB c1csc(-c2nc(C3CCNCC3)n[nH]2)c1 54700170 MTUCYSHYKGDIRW-UHFFFAOYSA-N 234.328 2.000 0 40 BEAB N=C(N)NCCc1c(Cl)cccc1Cl 58340933 DALODCHBIACMHX-UHFFFAOYSA-N 232.114 2.019 0 40 BEAB Cc1cccc(N2CCN(C)CC2)c1C 60316587 LIUIPCJRXZDWCQ-UHFFFAOYSA-N 204.317 2.055 0 40 BEAB CC(C)C(=O)NCCCOC1CCCC1 61260872 PQMVCZKAHTWDJM-UHFFFAOYSA-N 213.321 2.108 0 40 BEAB CC[C@@H](N)C1CCN(C(=O)OC(C)(C)C)CC1 72208675 PMAWBAFHGHQTEJ-LLVKDONJSA-N 242.363 2.371 0 40 BEAB c1cc(NC2CCC2)ncc1[C@H]1CCCN1 72213821 AFCZPNIABDNSKA-GFCCVEGCSA-N 217.316 2.471 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cnc(N)cc1C 72218535 QARLHCBJDHSWFX-GFCCVEGCSA-N 233.315 2.046 0 40 BEAB Cc1nc2cc(C(=O)NC(C)(C)C)ccc2n1C 74957421 IPKLPRLGKSMHPA-UHFFFAOYSA-N 245.326 2.410 0 40 BEAB CCN1CC[C@H](Nc2nc(C)ns2)C[C@@H]1C 78264301 ZYQWWBDRQZCJJL-WPRPVWTQSA-N 240.376 2.131 0 40 BEAB Brc1cccc([C@@]23CNC[C@@H]2C3)c1 82329789 SGZGYHORYYBOLQ-GXSJLCMTSA-N 238.128 2.310 0 40 BEAB COc1ccc(C)cc1C1([C@@H](C)O)CC1 84383714 RKEPZGRUGFVHQQ-SNVBAGLBSA-N 206.285 2.416 0 40 BEAB C[C@H]1C[C@H](O)c2c(ccc3ncccc23)O1 85399858 XFENIEXPONKEDM-KWQFWETISA-N 215.252 2.439 0 40 BEAB CC(C)C[C@H](C)OCCC(=O)Nc1cn[nH]c1 87103374 OUMIPTQLIHXVAF-JTQLQIEISA-N 239.319 2.190 0 40 BEAB CC(C)(C)OC(=O)N1CCc2cccc(CO)c21 89064986 LTOJETILXZZDPG-UHFFFAOYSA-N 249.310 2.477 0 40 BEAB in-vitro O=Cc1nc(-c2ccc(OC(F)F)cc2)no1 89262116 LBYHHNWCDAVBQW-UHFFFAOYSA-N 240.165 2.151 0 40 BEAB CN(C)[C@H]1CCC[C@H](NC2CCSCC2)C1 89314028 NUTHTPKRXBMKEF-STQMWFEESA-N 242.432 2.344 0 40 BEAB COc1ccc(SC(F)(F)F)nn1 91252869 FSEBEZMWNNREBQ-UHFFFAOYSA-N 210.180 2.097 0 40 BEAB O=C1CN(c2ccccc2)c2ccncc2N1 92512447 YTIXRIAFFOHKLL-UHFFFAOYSA-N 225.251 2.172 0 40 BEAB Fc1cc(F)c2c(Br)cnn2c1 95642870 RDYLYAQTFNASIS-UHFFFAOYSA-N 233.015 2.375 0 40 BEAB in-vitro COc1ccc(C)c2[nH]c(C(=O)O)c(C)c12 96029648 WAPPKLCZQAGVLS-UHFFFAOYSA-N 219.240 2.492 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CC=CCC3)CC[C@@H]2O1 96045938 LGKKOYALEASUJZ-CRWXNKLISA-N 249.354 2.369 0 40 BEAB CCc1ocnc1C(=O)N1C[C@H]2CCCC[C@H]2C1 96456023 KARSBOKPUNTRIE-PHIMTYICSA-N 248.326 2.499 0 40 BEAB Cc1cc(OC(F)F)cc(C(=O)O)c1 96529690 PILRPOHZEPXSEM-UHFFFAOYSA-N 202.156 2.295 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CN1CCOCC1 97164466 DDVTUKKNNUWHBI-CHWSQXEVSA-N 209.333 2.311 0 40 BEAB CSCCn1nc(C2CC2)nc1C1CC1 97378071 OBUUWPGNVRCADM-UHFFFAOYSA-N 223.345 2.396 0 40 BEAB CC(=O)OC(C(F)(F)F)C(F)(F)F 98210610 LMZHCMDKZAJNJS-UHFFFAOYSA-N 210.073 2.043 0 40 BEAB C[C@H]1[C@@H]2CC(=O)N(C)[C@]1(C)Oc1ccccc12 100214143 QAJBXYNHEPDHHV-NURSFMCSSA-N 231.295 2.377 0 40 BEAB COc1cccc(N/C(C)=C2\CCOC2=O)c1 104306316 YDJSYIKTEDQCHR-FMIVXFBMSA-N 233.267 2.328 0 40 BEAB NCC(F)(F)Sc1cccc(F)c1 131749240 NCPCYLJLVQEGHE-UHFFFAOYSA-N 207.220 2.469 0 40 BEAB O=C1NCC[C@H]1Cc1cccc(Cl)c1 157317552 RLYPLWITWFFKAH-VIFPVBQESA-N 209.676 2.019 0 40 BEAB O=C(O)CCCOc1ccn(-c2ccccc2)n1 218734501 YKYOLGCSYSCYNY-UHFFFAOYSA-N 246.266 2.116 0 40 BEAB CCCCn1c(CCOC)ccc1C(=O)OC 226030599 DKZAYVSCCHBMBF-UHFFFAOYSA-N 239.315 2.264 0 40 BEAB CC[C@@H](C)n1nccc1CNc1ccn(C)n1 256051114 HTOVCKIOLFVQMZ-SNVBAGLBSA-N 233.319 2.200 0 40 BEAB Cc1cnc2[nH]c([C@@H]3CCCNC3)cc2c1 257342518 ZPAKTPDSHQMLBL-SNVBAGLBSA-N 215.300 2.338 0 40 BEAB Cc1ncc(-c2cnc(NC3CC3)nc2)cc1N 1888856589 CQKGPUOVDDFZOJ-UHFFFAOYSA-N 241.298 2.004 0 40 BEAB CC1CCN(CNC(=O)c2ccccc2)CC1 811654 VESCCJNPZRAIQN-UHFFFAOYSA-N 232.327 2.106 0 40 BEAB Cn1nc(-c2cccc(N)c2)cc1Cl 1593021 HNGFJZUDQJVJAK-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB CCOC[C@@H]1CO[C@H](c2ccc(OC)cc2)O1 1676074 TWGSRLWWRLNYSH-OLZOCXBDSA-N 238.283 2.146 0 40 BEAB CC1=C(C(=O)Nc2ccccc2O)CCO1 1709812 PAQPBIQJRVSLDV-UHFFFAOYSA-N 219.240 2.025 0 40 BEAB Cc1ccc(OS(=O)(=O)C(C)C)cc1 1841321 MUTOLSSCMLECRU-UHFFFAOYSA-N 214.286 2.112 0 40 BEAB CC(C)CNC(=O)c1cc(CC(C)C)on1 2498099 QUFAOUQQEPTFOJ-UHFFFAOYSA-N 224.304 2.259 0 40 BEAB CCC[C@]1(C(=O)OCC)CCCCC1=O 4416857 JOPWDKAYSDOHPP-LBPRGKRZSA-N 212.289 2.479 0 40 BEAB CCn1nc(-c2ccc(F)cc2)ccc1=O 5399184 AMZQDTSEPXIMNO-UHFFFAOYSA-N 218.231 2.069 0 40 BEAB CC(=O)Nc1ccc(NC(=O)C2CCC2)cc1 6336559 MRRFCVPXSGPZPF-UHFFFAOYSA-N 232.283 2.384 0 40 BEAB Cc1ccc(C)c(C(=O)[C@@H]2CCCN2)c1 11630651 SPWWHVFQUNQHMW-LBPRGKRZSA-N 203.285 2.238 0 40 BEAB Cc1ccccc1CCNC(=O)c1cccnc1 12979122 SWUVBRDBLACTJB-UHFFFAOYSA-N 240.306 2.363 0 40 BEAB COC(=O)c1cc([C@@H](C)O)nc2ccccc12 16951448 PCNNTSJDISWBRZ-MRVPVSSYSA-N 231.251 2.075 0 40 BEAB Cc1ccccc1Nc1nc(N)nc(O)c1N=O 17315237 FTBNJWZVDJCZKP-UHFFFAOYSA-N 245.242 2.214 0 40 BEAB O=C1c2ccccc2CC[C@H]1[C@H]1CCCN1 19375178 HDNRBVRWENYZLC-QWHCGFSZSA-N 215.296 2.184 0 40 BEAB O=c1[nH]c2ccc(NCc3ccccc3)cc2[nH]1 20095038 ORRDUIPRYVFHES-UHFFFAOYSA-N 239.278 2.468 0 40 BEAB Nc1cccc(NC(=O)CCN2CCCCC2)c1 22167689 DOVYRZFUCYXRGK-UHFFFAOYSA-N 247.342 2.083 0 40 BEAB Cc1ccc(-n2nc(C)c(CC(=O)O)c2C)cc1 22175650 DONZROCEKYMCPK-UHFFFAOYSA-N 244.294 2.425 0 40 BEAB Cc1nc(-c2c[nH]c(C(=O)N3CCC3)c2)cs1 32780945 HJEGTMNWIAYBGF-UHFFFAOYSA-N 247.323 2.293 0 40 BEAB CC(=O)Oc1ccc(C(=O)C(C)C)cc1 34741293 IRAGMOAGQXUCKK-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB C[C@]1(C(=O)O)CCCCN1C(=O)c1ccccc1 39135753 OFNWTLAASXRJGP-CQSZACIVSA-N 247.294 2.156 0 40 BEAB Cc1nnc(CSc2ccccn2)o1 40024270 FKOPFTDMZZJKMB-UHFFFAOYSA-N 207.258 2.065 0 40 BEAB CCONC(=O)c1cccc(C(F)(F)F)c1 40489095 GCWRDQXYTSISMO-UHFFFAOYSA-N 233.189 2.387 0 40 BEAB O=C(CC[C@H]1CCCO1)NCC1CCCC1 40509776 GVIZWMABSBJHFW-GFCCVEGCSA-N 225.332 2.252 0 40 BEAB Cc1nn(C2CCCC2)c(C)c1C(=O)O 40538521 CMJHVRCMIMFJKX-UHFFFAOYSA-N 208.261 2.313 0 40 BEAB CCCNC(=O)Nc1cccc(F)c1F 49415012 FYOSCDNBRWHWHZ-UHFFFAOYSA-N 214.215 2.496 0 40 BEAB CCc1ccsc1C(=O)Nc1c[nH]ccc1=O 69815027 JYQMETMUFIKGKO-UHFFFAOYSA-N 248.307 2.251 0 40 BEAB COc1cccc(-n2cc(C3CC3)nn2)c1 72155802 BAEDYACRRIAFMV-UHFFFAOYSA-N 215.256 2.153 0 40 BEAB COc1cccc2c1N[C@H](C(=O)O)[C@H]1C=CC[C@H]21 72233448 OJDYITLUNFCOOS-DVYJOKAKSA-N 245.278 2.234 0 40 BEAB COc1cccc(-c2nocc2C(=O)O)c1OC 75774390 MLGWXYKBUUZOOP-UHFFFAOYSA-N 249.222 2.057 0 40 BEAB CC[C@@H]1CN(C[C@@H]2CCCCO2)CCS1 78947908 RUTUOWHRAKDCMR-NWDGAFQWSA-N 229.389 2.383 0 40 BEAB Cc1nn(CCN)c(C)c1-c1cccs1 82538548 DSKFZSZBKKVJFH-UHFFFAOYSA-N 221.329 2.187 0 40 BEAB c1ccc2c([C@@H]3CCCCN3)n[nH]c2c1 82913033 VIXYXOPKDKPUFU-NSHDSACASA-N 201.273 2.378 0 40 BEAB O=C(c1cccc2cc[nH]c12)N1CCSCC1 88732488 JHEWYYOQYJANSL-UHFFFAOYSA-N 246.335 2.357 0 40 BEAB O=C(C1CCOCC1)N1CCC[C@@H]2CCC[C@@H]21 89817857 NVBOLDBZOAOVLV-AAEUAGOBSA-N 237.343 2.204 0 40 BEAB CC[C@@H](NCCCCOCCOC)C(C)C 95421477 VCQHLUSVFJZBGA-CYBMUJFWSA-N 231.380 2.454 0 40 BEAB COCCCCOC(=O)c1cccc(Cl)n1 95461504 BJLLTJRUNVFNCG-UHFFFAOYSA-N 243.690 2.318 0 40 BEAB COC(=O)c1ccccc1C(=O)c1ccco1 95728733 HEWSHMJQTDPKGC-UHFFFAOYSA-N 230.219 2.297 0 40 BEAB COc1cc(C)ccc1Oc1nn(C)cc1N 95836585 PVFRCHHXYQOBCI-UHFFFAOYSA-N 233.271 2.112 0 40 BEAB CC[C@H](COC)N[C@H]1CC[C@H](SC)C1 95968650 NCWLJXRBGXTWGS-VWYCJHECSA-N 217.378 2.285 0 40 BEAB Fc1cc2ccccc2nc1C1OCCO1 96171818 HOTKMSRJBUNGAI-UHFFFAOYSA-N 219.215 2.419 0 40 BEAB COCCn1ccnc1-c1cccs1 96494605 NAIDWFJYGHPLAN-UHFFFAOYSA-N 208.286 2.258 0 40 BEAB CCC(=O)Nc1ccc(O)c(-c2nc(C)no2)c1 97114108 IFZPBCDSYMDXJT-UHFFFAOYSA-N 247.254 2.099 0 40 BEAB Fc1ccc(CNCCCn2cccn2)cc1 97254248 ZYEVPGOFVJKTFC-UHFFFAOYSA-N 233.290 2.202 0 40 BEAB O[C@@H]1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1C2 100549441 LGLZRUQGFUJOOH-YYHQMBLXSA-N 210.317 2.089 0 40 BEAB OCc1cccc(-c2ccccc2)c1CO 113936506 PFJGMUWBVMNSSU-UHFFFAOYSA-N 214.264 2.338 0 40 BEAB CCOC(=N)c1ncccc1Br 125133248 VHZOBQGEBQOQMG-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB O[C@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 169686043 KEVUJQHBGRUWPR-NDBYEHHHSA-N 209.333 2.022 0 40 BEAB CCCNCc1c(C)[nH]c2ccccc2c1=O 217428553 BGMVOJAJMDILEJ-UHFFFAOYSA-N 230.311 2.336 0 40 BEAB O=C(O)[C@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218700022 QWQBQWGNSFVVOM-VHSXEESVSA-N 228.194 2.270 0 40 BEAB CCCCCN1CCN[C@@H]2CCCC[C@H]21 218827961 VUAWENVOQGLHJL-CHWSQXEVSA-N 210.365 2.393 0 40 BEAB CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223582009 MTQHNHODKDDRIU-NSHDSACASA-N 247.338 2.469 0 40 BEAB CC[C@@H](C)n1ccc(NCc2ccn(C)n2)n1 256053760 SSIFBMXZQMIZKH-SNVBAGLBSA-N 233.319 2.200 0 40 BEAB C[C@H](F)CCN1CCC2(CCCN2C)CC1 336587365 BCRFWSIEXBRYAP-LBPRGKRZSA-N 228.355 2.295 0 40 BEAB N#Cc1cnccc1Oc1ccccc1O 399534332 WDXPDMBCEAKCFX-UHFFFAOYSA-N 212.208 2.451 0 40 BEAB N=C1NN2[C@@H]([CH]S[C@@H]2c2ccccc2)S1 409416299 JGDLJIVBRKBASC-RKDXNWHRSA-N 236.345 2.408 0 40 BEAB CC(=O)OCC(=O)c1ccc(OC(F)F)cc1 575360433 DCJGOIRKKDSPHC-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB CCOc1ccc2[nH]cc(CC)c(=O)c2c1 685938684 ZPHIYQLVINKRIX-UHFFFAOYSA-N 217.268 2.489 0 40 BEAB COc1cc(C(=O)O)cc(CC2CC2)c1O 1554770596 IWWKEOWXWQMCAR-UHFFFAOYSA-N 222.240 2.052 0 40 BEAB CNc1n[nH]c2ccc(Br)cc12 72193737 IXCLPEJUNPPZOJ-UHFFFAOYSA-N 226.077 2.367 0 40 BEAB Cc1csc(Nc2ccccc2)[n+]1CCO 549646 LOXFKQXUZQDMGR-UHFFFAOYSA-O 235.332 2.080 0 40 BEAB c1ccc2c(c1)CCN2CC1CCNCC1 11805339 VABLPIUSNHGKPZ-UHFFFAOYSA-N 216.328 2.049 0 40 BEAB in-vitro CC(=O)c1ccc(Nc2cc(C)nc(N)n2)cc1 1607981 CGPBTCUMEHNONE-UHFFFAOYSA-N 242.282 2.313 0 40 BEAB CCCCO[C@H]1OCCO[C@@H]1OCCCC 1667331 UYPCMUPTDVQWQA-RYUDHWBXSA-N 232.320 2.319 0 40 BEAB O[C@@H](c1ccc2cccnc2c1)[C@H]1CCCCN1 1729517 MNCWVFJXBARQLI-HIFRSBDPSA-N 242.322 2.410 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)CC12OCC(O)CO2 6037706 GECFTYLLVUKXOY-QCXCNERSSA-N 228.332 2.183 0 40 BEAB endogenous,in-man CCONC(=O)c1ccc(F)cc1Cl 32903574 LALLTWQKNLQPRS-UHFFFAOYSA-N 217.627 2.160 0 40 BEAB O=C(O)[C@H]1CCCC[C@@H]1NCc1ccccc1 8698814 JJPUFVPBTBJPNO-STQMWFEESA-N 233.311 2.420 0 40 BEAB C[C@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C 2780556 OPTCZTYKLROXHD-ZETCQYMHSA-N 245.273 2.443 0 40 BEAB Cc1noc(C)c1CN[C@@H](C)[C@@H](C)n1cccn1 69368794 NFPKGUAXOXIWSV-GXSJLCMTSA-N 248.330 2.227 0 40 BEAB COCC1=NN(c2ccc(Cl)cc2)C(=O)C1 22126849 GSVWUICYQNASGJ-UHFFFAOYSA-N 238.674 2.079 0 40 BEAB CC1=C(C)[C@@]2(C)[C@]3(C)C(=O)N[C@@]1(C)[C@@]32C 104276672 DAMHKCOHRUYAPL-WUHRBBMRSA-N 205.301 2.257 0 40 BEAB C[C@H]1[C@@H](C)[C@]2(C)NC(=O)[C@]3(C)[C@]2(C)[C@@]13C 101137525 VLAQZFRGUKAXMA-NHSLTHMSSA-N 207.317 2.193 0 40 BEAB CCCOC(=O)c1ccc(NC(C)=O)cc1 1807989 TZBHZUCUDXQCSI-UHFFFAOYSA-N 221.256 2.212 0 40 BEAB CCc1cc(C(=O)O)n(-c2ccccc2)n1 26438669 TZGFXZDWWLVWFB-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB CCCCc1c(O)n2ccc(C)cc2nc1=O 17029162 GKUAHPGUGDRNNB-UHFFFAOYSA-N 232.283 2.051 0 40 BEAB CCCNC(=O)Nc1ccccc1-n1cccn1 48152343 SCGXAXAJRIDIOJ-UHFFFAOYSA-N 244.298 2.404 0 40 BEAB CCn1c(C(=O)O)cc2c(OC)cc(OC)cc21 38392880 VOXGSKFIZLPRFP-UHFFFAOYSA-N 249.266 2.377 0 40 BEAB C[C@@H]1C[C@@](O)(Cc2ccccc2)[C@H](C)CN1C 4128448 YSGPBYGQFUGPJJ-UMVBOHGHSA-N 233.355 2.320 0 40 BEAB NCc1cccc(C(=O)Nc2ccccc2)c1 19722459 CDCMVXMFWZFHKW-UHFFFAOYSA-N 226.279 2.398 0 40 BEAB in-vitro O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C1CC1 26898130 JBLUXZWVKSRNJN-ZIAGYGMSSA-N 245.322 2.229 0 40 BEAB Cc1nc(COc2cccc(C)c2F)no1 97053664 FQAXZBYJRCUNPX-UHFFFAOYSA-N 222.219 2.405 0 40 BEAB CC[C@@H](N[C@H]1CCCSC1)c1noc(C)n1 97370984 PMAVAISMEZLQPN-VHSXEESVSA-N 241.360 2.314 0 40 BEAB CCC(=O)[C@@H](C)OC(=O)c1cccnc1Cl 95954539 IMINQTHJEMBPAR-SSDOTTSWSA-N 241.674 2.259 0 40 BEAB CC[C@@H]1CN(CC2CCC2)CCN1CC(F)F 95980462 DOYAGSIWIMVFDE-GFCCVEGCSA-N 246.345 2.448 0 40 BEAB CO[C@@H](C)c1noc(-c2scnc2C)n1 75093600 XYKMVQOMEFENBQ-LURJTMIESA-N 225.273 2.209 0 40 BEAB c1ncn(C[C@@H]2CCCCN2CC2CCCC2)n1 75131973 PJUVEGLUPXTIHV-AWEZNQCLSA-N 248.374 2.323 0 40 BEAB C[C@H]1C[C@@](O)(Cc2ccccc2)[C@H](C)CN1C 4128449 YSGPBYGQFUGPJJ-VNHYZAJKSA-N 233.355 2.320 0 40 BEAB OCCNc1ccc2c3c(cccc13)CC2 174951744 JXIRHTVPGGFXPW-UHFFFAOYSA-N 213.280 2.343 0 40 BEAB S=CC1=C2NCCCN2[C@@H]2CCCC[C@H]12 126626 PKKFXCVBJFFZJO-MWLCHTKSSA-N 222.357 2.065 0 40 BEAB biogenic CCCCOc1ccc(CNC=O)cc1OC 38534540 ZLLKFQGVGUBJAB-UHFFFAOYSA-N 237.299 2.120 0 40 BEAB CC(C)CCC(=O)N1C[C@@H](C)O[C@H](C)C1 33019055 ONXLUFBXQPCDMI-GHMZBOCLSA-N 213.321 2.058 0 40 BEAB COc1ccc2c(CC(=O)O)coc2c1C 536952019 BBFOKHVYRGPUAQ-UHFFFAOYSA-N 220.224 2.377 0 40 BEAB in-vitro O=C(O)c1ccc(Cc2ccccc2F)[nH]1 216589640 SPPUYZPFQMZHON-UHFFFAOYSA-N 219.215 2.443 0 40 BEAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccsc1 75157712 RRWMQKVXMPGCJC-JTQLQIEISA-N 241.356 2.275 0 40 BEAB Cc1cc(O)ncc1[C@H]1CCCCN1C 72218155 MUMIHOHSBATYJF-LLVKDONJSA-N 206.289 2.252 0 40 BEAB Cc1cc(Nc2ccc(F)cn2)n2nccc2n1 1565523574 SXWWSQPLXLRWGM-UHFFFAOYSA-N 243.245 2.315 0 40 BEAB CC(C)CO[C@H](C)C(=O)N(C)Cc1ccco1 42380201 WKFYMWUPRAGGPW-LLVKDONJSA-N 239.315 2.299 0 40 BEAB CCCCCCN[C@H](C)CC(=O)OC 47219171 FPVYOYUZEHRLDK-SNVBAGLBSA-N 201.310 2.108 0 40 BEAB CC(=O)NCCCSc1ccoc1C 131437232 QTRDHNKKKWAWDJ-UHFFFAOYSA-N 213.302 2.206 0 40 BEAB Cc1c(Br)cccc1CN 83343317 BOMWYUIURJVHSH-UHFFFAOYSA-N 200.079 2.216 0 40 BEAB CCc1c(N)cnn1-c1cccc(C)c1 85634366 AWPGOVNRIOESAY-UHFFFAOYSA-N 201.273 2.325 0 40 BEAB C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 40505883 ZYVLRFFHDODNDS-VXGBXAGGSA-N 225.332 2.204 0 40 BEAB COCCCNCc1ccc(Cc2ccco2)[nH]1 226021095 PMFIELUGXGOJKY-UHFFFAOYSA-N 248.326 2.325 0 40 BEAB CN(C)C(=O)c1ccnc(NC2CCCC2)c1 95958744 RCMBTPSILBGNPP-UHFFFAOYSA-N 233.315 2.138 0 40 BEAB CO[C@H]1CCCC[C@H]1OC(=O)C1CCC1 97404915 VUTNEPGKFVOBSS-WDEREUQCSA-N 212.289 2.287 0 40 BEAB c1ccc(CO[C@@H]2CNCC[C@]23CCCO3)cc1 257202642 AMSIXYZLRHTKJZ-HUUCEWRRSA-N 247.338 2.114 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCCCCC1 42467302 IYDQKYHYRBBHEO-GFCCVEGCSA-N 227.348 2.450 0 40 BEAB Cc1ccc(CNC(=O)CC(C)C)cn1 47557340 YQYZUJXOFXWYHH-UHFFFAOYSA-N 206.289 2.052 0 40 BEAB CCCCCCOC[C@H]1COC(=O)O1 169797541 CSZXMBWXXIBCGP-VIFPVBQESA-N 202.250 2.119 0 40 BEAB CCOC(=O)c1ccc(NC2CC2)c(N)c1 41046116 FKRPDXLDQVHEQI-UHFFFAOYSA-N 220.272 2.020 0 40 BEAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCCC1 104188523 YZKOQTQCVIICGQ-SDDRHHMPSA-N 205.301 2.211 0 40 BEAB Nc1nc2cc(F)c(F)c(F)c2s1 15442801 DQLAGXBUTICAIQ-UHFFFAOYSA-N 204.176 2.296 0 40 BEAB CCOC(=O)/C=C\c1cccnc1Cl 12359556 AXJQCHYUAHBXAK-WAYWQWQTSA-N 211.648 2.311 0 40 BEAB C[C@@H]1C(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 575447712 MNYIQAQSZOMQSX-NOZJJQNGSA-N 239.315 2.223 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CC[C@H](OCC2CC2)C1 390832018 WQQFHYYRBKICTJ-KGLIPLIRSA-N 249.354 2.370 0 40 BEAB CCN[C@H](C)Cc1ccc(OC)c(OC)c1 20084575 ZRXZDUBEZXLNLM-SNVBAGLBSA-N 223.316 2.244 0 40 BEAB C[C@]1(O)CCCN(Cc2ccccc2)C1 34516236 XOOUIRSDEYKUGM-ZDUSSCGKSA-N 205.301 2.033 0 40 BEAB in-vitro CNC(=O)c1cccc2c1-c1ccccc1C2=O 133597 FBLFGMFNFANODE-UHFFFAOYSA-N 237.258 2.258 0 40 BEAB CC(C)CNC(=O)c1cc(-c2ccco2)[nH]n1 30513284 FGQQOVNKXZQZNM-UHFFFAOYSA-N 233.271 2.056 0 40 BEAB O=C(CCC(=O)c1cccs1)Nc1cn[nH]c1 40512160 YSTPCMIUUQDAAZ-UHFFFAOYSA-N 249.295 2.073 0 40 BEAB CC(=O)c1ccc(-c2ccccc2)[nH]c1=O 6911 XMDOZXUEIBWSTI-UHFFFAOYSA-N 213.236 2.245 0 40 BEAB CC(C)Cc1ccc([C@@](C)(O)C(=O)O)cc1 392247 APEODKDQAWQDLW-CYBMUJFWSA-N 222.284 2.177 0 40 BEAB in-vitro CC(=O)Oc1ccc(Br)cc1C=O 1704601 BURBAAVPRZZXPN-UHFFFAOYSA-N 243.056 2.187 0 40 BEAB O=P1(c2ccccc2)N[C@H]2CCCC[C@@H]2N1 1716353 ZLMVSVNPXVVJFU-RYUDHWBXSA-N 236.255 2.009 0 40 BEAB CCS(=O)(=O)/C=C/c1cccs1 1736376 YYCVTKBJQOAYGD-FNORWQNLSA-N 202.300 2.154 0 40 BEAB CCn1c(=S)[nH]c2ccccc2c1=N 3851482 UTJWBKQXSLIPCR-UHFFFAOYSA-N 205.286 2.198 0 40 BEAB O=Cc1cc(Br)c(N2CCCC2)o1 4514820 ROLISLZFWUMOAG-UHFFFAOYSA-N 244.088 2.455 0 40 BEAB CCOC(=O)c1oc2c(c1C)C(=O)CSC2 5266025 MBHHWANRWNTXHO-UHFFFAOYSA-N 240.280 2.194 0 40 BEAB COc1ccc(C)cc1N[C@@H](C)C(=O)NC1CC1 6300019 XXRKBVUQLKFBIJ-JTQLQIEISA-N 248.326 2.083 0 40 BEAB COc1ccc(-n2cccc2C=O)c(OC)c1 8701939 GVLZJGJIBMHFHQ-UHFFFAOYSA-N 231.251 2.307 0 40 BEAB CCn1cc(-c2[nH]ncc2Br)cn1 8782686 XLJWJFWTVOPWPM-UHFFFAOYSA-N 241.092 2.056 0 40 BEAB CCOCCCNC(=O)CCc1ccc(C)cc1 10326740 RKXWNZZNSLAIAV-UHFFFAOYSA-N 249.354 2.470 0 40 BEAB Cc1nc(-n2cccc2)sc1C(=O)NC1CC1 12391237 GFFNDRGRXKVOEU-UHFFFAOYSA-N 247.323 2.134 0 40 BEAB Cc1cnc(NC(=O)c2ccoc2)s1 12943605 VCZJQEBBKHKUTP-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cn1 13746846 RBKWRERYPKKKEE-POYBYMJQSA-N 210.664 2.330 0 40 BEAB COc1ccc(NC(=O)CC(C)(C)C)cn1 17296595 XQYWIDNAKYVBMY-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB CCC[C@@H](C)NC(=O)c1ccc(N)cc1 19390917 DOQXWJVGJBYOMQ-SECBINFHSA-N 206.289 2.187 0 40 BEAB CCNCc1ccc(OC(F)F)cc1 19519004 KVTGSSLDBHUZMO-UHFFFAOYSA-N 201.216 2.398 0 40 BEAB C[C@H](N)[C@H](O)c1ccc(Cl)cc1Cl 20216939 MJRZLMVDAYXNBF-CDUCUWFYSA-N 220.099 2.374 0 40 BEAB Cc1cccc(CN2CCC[C@@H]2C(=O)O)c1 20266777 WFOOVVKHILZLJI-GFCCVEGCSA-N 219.284 2.044 0 40 BEAB COc1ccc(-c2ncsc2CC(=O)O)cc1 20439179 DQBVXXJMVNDWIT-UHFFFAOYSA-N 249.291 2.446 0 40 BEAB CC(C)(C)SCC(=O)Nc1nncs1 21216265 JZKIUZAIVORWNX-UHFFFAOYSA-N 231.346 2.008 0 40 BEAB CN(C)CCNCc1ccccc1C(F)(F)F 22146498 AMRQSQUYDKSXOJ-UHFFFAOYSA-N 246.276 2.357 0 40 BEAB CCN(CCC1CCNCC1)CC(C)C 37111666 DKKRKFKBQLKSPL-UHFFFAOYSA-N 212.381 2.354 0 40 BEAB Cc1ccc([C@H](O)c2ccc3c(c2)OCCO3)o1 40247364 DCRWQZOKXFGGQZ-CQSZACIVSA-N 246.262 2.441 0 40 BEAB c1ccc(CN2CCC(c3nnco3)CC2)cc1 40380407 KKAKXQFKDCFWBM-UHFFFAOYSA-N 243.310 2.449 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCC(C)CC1 40520892 SSYVVQCECRWQQJ-LBPRGKRZSA-N 227.348 2.306 0 40 BEAB Fc1ccc2c(c1)ncn2C1CCNCC1 44135694 WJJBBIWWWOVTBP-UHFFFAOYSA-N 219.263 2.100 0 40 BEAB COCCCN(C)Cc1ccc(F)c(F)c1 51710005 ORHUWRTUBQKZBQ-UHFFFAOYSA-N 229.270 2.433 0 40 BEAB COc1ccc(NC(=S)NC(C)(C)C)cn1 54922486 VZOCSCHGDBMZGD-UHFFFAOYSA-N 239.344 2.175 0 40 BEAB N[C@@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1 54932936 YNTCCJKZJKQWFA-MNOVXSKESA-N 213.227 2.223 0 40 BEAB CC(C)(C)n1cc(CN)c(C(F)(F)F)n1 57354243 GGBQCNIZVTVOFX-UHFFFAOYSA-N 221.226 2.116 0 40 BEAB COc1ncccc1C(=O)N(C)CC1CCCC1 60211808 DBJKJSKMWFVZSQ-UHFFFAOYSA-N 248.326 2.352 0 40 BEAB CNCc1nc(-c2ccccc2)[nH]c1Cl 67801456 VOQBSRVHOAFRPN-UHFFFAOYSA-N 221.691 2.450 0 40 BEAB O=C(O)Cc1coc(-c2ccc(F)c(F)c2)n1 68593553 DRCROMDBZGXPTP-UHFFFAOYSA-N 239.177 2.247 0 40 BEAB in-vitro Cc1cnn([C@@H](C)[C@@H](C)NCC2CC2)c1 69491846 HLRPQDKSASNQIN-MNOVXSKESA-N 207.321 2.141 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cnccc1C 72211430 FAIMIOGIQVIDMI-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB Brc1ccc2c(c1)COCCN2 83069383 RZLZXNOGTQHMTP-UHFFFAOYSA-N 228.089 2.391 0 40 BEAB COC(=O)CSc1ccnc(C(C)(C)C)n1 89761529 HPWCNELAJKJZQA-UHFFFAOYSA-N 240.328 2.039 0 40 BEAB Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 90397591 GDIHEVJUQKPSNC-NSHDSACASA-N 246.310 2.046 0 40 BEAB CCCc1nc(Cl)c2nccnc2n1 95097284 FJXLMRCRAWPHKD-UHFFFAOYSA-N 208.652 2.026 0 40 BEAB COCCCC(=N)NC(=O)c1ccc(C)s1 95397112 YKAXAQGYQGCSGW-UHFFFAOYSA-N 240.328 2.190 0 40 BEAB C[C@@H]1CCCC[C@@H]1NCCSCCCO 95421993 RXJGGMILHZTIAR-NEPJUHHUSA-N 231.405 2.270 0 40 BEAB Cc1cccc(NC(=O)CC2(O)CCCC2)c1O 95431897 HAWSRGIAAYPRIE-UHFFFAOYSA-N 249.310 2.334 0 40 BEAB O=C(Nc1ccc(Cl)cc1O)c1cc[nH]n1 95974003 HPHVXZXPUBIOQX-UHFFFAOYSA-N 237.646 2.021 0 40 BEAB Cc1ccnc(NC(=O)NC2(C)CCC2)c1 96010661 SNNJUNXXARKDPV-UHFFFAOYSA-N 219.288 2.454 0 40 BEAB CC(=O)Nc1cccc(CC[C@H](C)C(=O)O)c1 96316064 SYKFBANLPZHTKH-VIFPVBQESA-N 235.283 2.298 0 40 BEAB CCOCC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C 97055467 ASAYBBAIOLSNKU-ABAIWWIYSA-N 247.338 2.381 0 40 BEAB CCC(C)(C)C(=O)N1CCc2cnccc21 97084720 BIJJSKJWYLOUJM-UHFFFAOYSA-N 218.300 2.407 0 40 BEAB Brc1nsc2ccncc12 217730209 RBUQLZBPKHYGAT-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1ccc(F)cc1 224986987 ZGSJDVWRAQYQTD-JTQLQIEISA-N 211.236 2.125 0 40 BEAB Cc1ncn(-c2ccc(OC(F)F)cc2)n1 2362803475 CVBMEVLKHXZPAF-UHFFFAOYSA-N 225.198 2.177 0 40 BEAB Cc1nn(-c2ccccc2)c2c1ccc[n+]2C 151227 DLUVHXJPKHDJLM-UHFFFAOYSA-N 224.287 2.158 0 40 BEAB C[C@H](N[C@@H](C)C1CCN(C)CC1)C1CCC1 90856765 GMJARXCGKSKXFA-RYUDHWBXSA-N 224.392 2.495 0 40 BEAB COc1ccccc1SC[C@@H](C)CN 41030977 RXPATPAEEPZLTH-VIFPVBQESA-N 211.330 2.382 0 40 BEAB in-vitro CC(C)(O)C(F)(F)[C@H](F)C(F)(F)F 2540339 AHOBFJZDSQJNCO-VKHMYHEASA-N 210.117 2.293 0 40 BEAB O=C(O)CC[C@@H]1C[C@H]1C(=O)c1ccccc1 2540917 BOBBSLDQCITZCL-GHMZBOCLSA-N 218.252 2.370 0 40 BEAB CC(C)CNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 4216840 JGQDLHJNVVLPJJ-HBNTYKKESA-N 226.389 2.295 0 40 BEAB CCCC[C@@H](CC)CNC(=O)[C@H]1CCCO1 2740159 BALJFIJZWAYPQU-VXGBXAGGSA-N 227.348 2.498 0 40 BEAB CCCCOc1ccc(/C=C/C(N)=O)cc1 33433471 PYCIRALVOSXMNQ-RMKNXTFCSA-N 219.284 2.364 0 40 BEAB O=C1NCCNc2c1cnc1cc(Cl)ccc21 53994737 HSJNEIKOHVDQOG-UHFFFAOYSA-N 247.685 2.044 0 40 BEAB COc1cc(C=O)cc(CSC)c1O 26479394 FNQASCTUIUWBCR-UHFFFAOYSA-N 212.270 2.076 0 40 BEAB CC(C)CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2 100339546 JGQDLHJNVVLPJJ-MXWKQRLJSA-N 226.389 2.295 0 40 BEAB CCN(CCC[C@H](C)N)C(=O)OC(C)(C)C 22052756 YGODUYFENNHTJC-JTQLQIEISA-N 230.352 2.371 0 40 BEAB in-vitro Nc1ccc(-c2nc3cc(N)ccc3[nH]2)c(O)c1 1509789 FAQLHCHBYPFJOS-UHFFFAOYSA-N 240.266 2.100 0 40 BEAB O=C(NCc1ccccn1)c1cc(Cl)ccn1 12538405 CNKGPIQBNCHABX-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB CC(=O)c1cc(Br)ncc1F 59128839 NLQQIWGMFAJKIH-UHFFFAOYSA-N 218.025 2.186 0 40 BEAB in-vitro Cc1ccn2cc(C(=O)N3CCCCC3)nc2c1 8280866 HXAGFNLRAJEPIG-UHFFFAOYSA-N 243.310 2.269 0 40 BEAB O=C(O)c1ccc(Cl)cc1NC(=O)C1CC1 13186743 BIOYPGSXTQKCRC-UHFFFAOYSA-N 239.658 2.387 0 40 BEAB Cn1ccnc1SCC(=O)Nc1ccccc1 3899541 MLJHRAQMSVTPDW-UHFFFAOYSA-N 247.323 2.151 0 40 BEAB O=C(NCc1ccccc1F)c1ccncc1 6260706 UIGDVTRFYLZIMA-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB Fc1ccc(OC[C@H]2CCCNC2)c(F)c1 14631329 NSHADKHLTYCVGC-VIFPVBQESA-N 227.254 2.343 0 40 BEAB O=C1CSC(Nc2cc(Cl)ccc2O)=N1 4745873 CVYBDIPWJPFHIH-UHFFFAOYSA-N 242.687 2.087 0 40 BEAB Oc1nn(-c2ccccc2)cc1Br 68603413 OFWQPPUNHCBECR-UHFFFAOYSA-N 239.072 2.340 0 40 BEAB O=C(c1ccc[nH]1)N(CC1CC1)CC(F)(F)F 96461208 QZMQPIXTWRSRDZ-UHFFFAOYSA-N 246.232 2.429 0 40 BEAB O=C(NCc1nccs1)c1ccc(Cl)o1 77223260 PTMWMTLMCAXAAZ-UHFFFAOYSA-N 242.687 2.320 0 40 BEAB CCOC(=O)[C@@H]1CS[C@H](C(CC)CC)N1 98072908 YZFDGJYGTWXSHY-VHSXEESVSA-N 231.361 2.017 0 40 BEAB CCc1ccc([C@H](CO)Nc2ncccn2)cc1 95973790 CFPMVQUURDLVEE-ZDUSSCGKSA-N 243.310 2.185 0 40 BEAB CC[C@H]1c2ccccc2CCN1CCC(=O)O 95960019 JHCXSPBNBNGBOI-ZDUSSCGKSA-N 233.311 2.471 0 40 BEAB CCn1ccnc1SCC[C@H]1CCCN1C 95975922 DOVLOBDTHMDFSR-LLVKDONJSA-N 239.388 2.479 0 40 BEAB CC(C)c1cc(C(=O)N2CCCCC2)on1 64555277 PXKPAVCJECXGGM-UHFFFAOYSA-N 222.288 2.424 0 40 BEAB COC(=O)[C@@H](C)CNCc1ccc(Cl)cc1 35133484 ZDQVLZVASBBIBI-VIFPVBQESA-N 241.718 2.239 0 40 BEAB CCOc1ccc(NC(=O)CC)c(N)c1 76859672 WIINUBPCGBEMIE-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cc(C)ccn1 72211220 OJNAJTROJLNBFC-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB CC(C)S(=O)(=O)c1ccc(F)cc1 34265330 HDBPGUFVMVNSOC-UHFFFAOYSA-N 202.250 2.008 0 40 BEAB CCN(C)c1ccc([C@H]2CCCCN2C=O)cn1 72212749 PXBWQPCBUIVIIH-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB CCC(=O)c1cc(Br)c(O)cc1O 30769090 VOFSKJVHUCIUHR-UHFFFAOYSA-N 245.072 2.453 0 40 BEAB O=CN1CCC[C@@H]1c1ccc(=S)[nH]c1 72216989 BZGUQRVTXVXOKP-SECBINFHSA-N 208.286 2.037 0 40 BEAB CO[P@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 139731881 YLPDBQHTSLQLRX-HNNXBMFYSA-N 231.144 2.443 0 40 BEAB Cc1noc(C)c1[C@H](C)CC(=O)Nc1cn[nH]c1 130491691 GJVCCBQXYJDIDX-SSDOTTSWSA-N 248.286 2.147 0 40 BEAB Cc1ccc(Cl)c([C@H](C)NN)c1F 199537789 ZJQUBCLRFYQZLO-LURJTMIESA-N 202.660 2.312 0 40 BEAB CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 80585727 RKWAVFIDUBBHCR-WCQYABFASA-N 232.327 2.451 0 40 BEAB CCOC(=O)[C@H](C)C(=O)c1ccc(F)cc1 85396810 NHNLSNLORBOIJC-MRVPVSSYSA-N 224.231 2.208 0 40 BEAB CO/C=C(\F)C(=O)Nc1ccccc1OC 96171757 BTLPKYIYFCVRQI-FPLPWBNLSA-N 225.219 2.091 0 40 BEAB CCCCNCc1cn(CCC)nc1C 256052743 OLXPOMVSCMXKCY-UHFFFAOYSA-N 209.337 2.491 0 40 BEAB CC(C)n1ccc(CNCc2cccn2C)n1 256049784 BKXCFQHTQCVLHW-UHFFFAOYSA-N 232.331 2.092 0 40 BEAB CCOC(=O)c1cc(NC)cnc1C(F)F 396152042 CRCROIYFZXJPTB-UHFFFAOYSA-N 230.214 2.238 0 40 BEAB C[C@H](CCN[C@H]1CCCC1(C)C)[S@](C)=O 90518191 FLFGCNZVTGTPPD-JRPNMDOOSA-N 231.405 2.312 0 40 BEAB CC1(C)CN(Cc2cccc(C(N)=O)c2)C1(C)C 98018896 VQILWJRKTZBOMM-UHFFFAOYSA-N 246.354 2.406 0 40 BEAB Brc1cnc(CC2CC2)nc1 200170911 CMFVKTJQQAJMKM-UHFFFAOYSA-N 213.078 2.192 0 40 BEAB Cn1ncc2c(Cl)c(Cl)cnc21 157010592 XJCWGZBQRGDBRK-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CC[C@H](C)C(=O)N[C@@H]1CSC1(C)C 306226390 FYXUQIGDIQFUQN-JGVFFNPUSA-N 201.335 2.043 0 40 BEAB COc1ccc2c3c(cnc2c1)[P@](C)(=O)CC3 11535903 ZKCYDVSDIAVMMB-QGZVFWFLSA-N 247.234 2.418 0 40 BEAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)O)cc1 19257918 OLWFGPQNJWSRSA-ZETCQYMHSA-N 239.296 2.210 0 40 BEAB CCCNCc1ccc(O)c(OCC)c1 19483925 OADHKDYLNSGGQY-UHFFFAOYSA-N 209.289 2.291 0 40 BEAB COc1ccc(C(=O)C(F)F)c(C)c1 158651142 XXWFLBJNAQZXSW-UHFFFAOYSA-N 200.184 2.451 0 40 BEAB Cc1cnn(-c2cc(NC3CCCC3)ncn2)c1 1888857022 OUXKMHZRKOKNKS-UHFFFAOYSA-N 243.314 2.325 0 40 BEAB Cc1ccc(C)c(N=c2ccc(C#N)n[nH]2)c1 397051011 TYHOVDCNOZKGGE-UHFFFAOYSA-N 224.267 2.131 0 40 BEAB CCN1CN=C(S)N(Cc2ccccc2)C1 20171813 CEOWFRFECJRZCP-UHFFFAOYSA-N 235.356 2.025 0 40 BEAB O=C(Nc1ccc2nc[nH]c2c1)c1ccncc1 40285044 VUAGSICAFQELPR-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CC(=O)c1cc(Cl)nc(Cl)c1N 20357583 VASUBHNCBPDOPI-UHFFFAOYSA-N 205.044 2.173 0 40 BEAB in-vitro CC(C)CO[C@@H](C)C(=O)N(C)[C@@H](C)C1CC1 40521134 SJLRTCYHDDMQPZ-QWRGUYRKSA-N 227.348 2.304 0 40 BEAB Cc1ccccc1OCC(=O)NC1CCCC1 826236 XLVJNCBJSDOHDF-UHFFFAOYSA-N 233.311 2.433 0 40 BEAB CN(C=O)C(=O)Oc1cccc2ccccc12 1575713 VSBSKWKIFUMGGI-UHFFFAOYSA-N 229.235 2.427 0 40 BEAB CCC[C@H](CCc1ccccc1)C(=O)NC(N)=O 1746940 WUWVBSFPGZBYGA-GFCCVEGCSA-N 248.326 2.230 0 40 BEAB C[C@@H](c1ccccc1)N1OCC(C)(C)C(=O)C1=O 2087803 VWCLLYDOIREHPD-JTQLQIEISA-N 247.294 2.117 0 40 BEAB biogenic Fc1ccc(CNCCCn2ccnc2)cc1 2380307 QUBMCPWBZZGULH-UHFFFAOYSA-N 233.290 2.202 0 40 BEAB Nc1nnc2c(n1)-c1cccc3cccc-2c13 3024882 WITNIXQQNWXPAG-UHFFFAOYSA-N 220.235 2.254 0 40 BEAB CCNCC(=O)Nc1ccccc1C(F)(F)F 3294485 HCSXIBWNSNANKR-UHFFFAOYSA-N 246.232 2.253 0 40 BEAB CCCCC[C@@H](O)/C=C/[C@@H](C)C(=O)OC 4825777 PKOPGYCMWCGUFR-WUNNSPOASA-N 214.305 2.293 0 40 BEAB Cc1ccccc1C(=O)OC1CCN(C)CC1 5069562 UMXIDEVTGDCGKH-UHFFFAOYSA-N 233.311 2.246 0 40 BEAB CC(=O)N1C[C@@]23C=C[C@@H](C[C@H]2CC12CCCC2)O3 5824948 QLOISECRUXBCQN-YDHLFZDLSA-N 247.338 2.265 0 40 BEAB biogenic CC[C@H](C)NC(=O)C(=O)Nc1cc(C)ccc1C 9995737 LEFLQGBTEAGYHY-NSHDSACASA-N 248.326 2.157 0 40 BEAB CCOc1ccccc1C[C@@H](C)C(=O)O 11976540 PLXQLBYDAGQKCX-SECBINFHSA-N 208.257 2.349 0 40 BEAB C[C@H]1CN(Cc2cnc(Cl)s2)C[C@@H](C)O1 12417645 ZDJTWVZXRZKZTD-OCAPTIKFSA-N 246.763 2.406 0 40 BEAB Cc1[nH]c2ccc(C(=O)N(C)C)cc2c1C 12999641 RGTUROUNZQXLKM-UHFFFAOYSA-N 216.284 2.487 0 40 BEAB CCOC(=O)[C@@H](C)CCc1ccncc1 13209099 FKIQFMGIYWKBQU-JTQLQIEISA-N 207.273 2.213 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(N)c2)C1 19259281 NRYJKVJXOIMLCQ-PHIMTYICSA-N 232.327 2.387 0 40 BEAB C[C@H]1CCCN(C(=O)Cc2ccccc2N)C1 20155696 SYFWEFOBGXFRQU-NSHDSACASA-N 232.327 2.070 0 40 BEAB CCCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 21300998 ZNICOTLOPCODTO-LLVKDONJSA-N 242.363 2.386 0 40 BEAB O=C(O)c1cccc2c1CCCCC2=O 22015631 SOQQHHSETKXHLQ-UHFFFAOYSA-N 204.225 2.294 0 40 BEAB O=C(CCc1cccs1)Nc1ncccc1O 22263850 PUBOLUBYJVUERY-UHFFFAOYSA-N 248.307 2.420 0 40 BEAB CC[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 28509952 YMPSVVYMUYXEOH-JTQLQIEISA-N 248.326 2.373 0 40 BEAB O=C(/C=C/c1cccnc1)Nc1nccs1 29838819 IQNXJUGWQCDPIW-ONEGZZNKSA-N 231.280 2.190 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@H](CO)C2)c1C 32720106 IIWCBLLFMBHLDE-ZDUSSCGKSA-N 247.338 2.148 0 40 BEAB CCN1C(=O)/C(=C/c2ccccc2)N=C1S 36449428 YFUFMPFKHXGNHN-NTMALXAHSA-N 232.308 2.175 0 40 BEAB CC(C)CCN(C)C(=O)c1ccccc1N 37839795 QHUYMASSIPSTTI-UHFFFAOYSA-N 220.316 2.387 0 40 BEAB CON(C)C(=O)c1cccc(-n2cccc2)c1 40476661 XZUXPGXTCZZEPI-UHFFFAOYSA-N 230.267 2.111 0 40 BEAB CC[C@H](C)NC(=O)CN1CCCC[C@H]1CC 48342192 UDPDEPYVGYVUQA-NWDGAFQWSA-N 226.364 2.166 0 40 BEAB Cc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1 48707432 GOUXCXQRBFRNDH-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB COCCCNC(=O)N[C@H]1CCc2ccccc21 49265420 AIABKIGUUVWVHH-ZDUSSCGKSA-N 248.326 2.010 0 40 BEAB CCOC(=O)[C@@H](C)N[C@@H](C)c1ccccc1 49368588 PGXIARWMSVPWGX-WDEREUQCSA-N 221.300 2.289 0 40 BEAB C[C@@H](Nc1cccc(C(=O)O)n1)c1ccccn1 51042750 BWUGWDJYEOEIPY-SECBINFHSA-N 243.266 2.348 0 40 BEAB CCOc1ccccc1CNC(=O)C(C)C 53164521 ORLBCGSXCHFGFI-UHFFFAOYSA-N 221.300 2.358 0 40 BEAB CC(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)n(C)c1 53495071 XOXCYXXGSKWMJQ-SNVBAGLBSA-N 248.326 2.100 0 40 BEAB OCCOc1cccc(C(F)(F)F)c1 58846081 XZFROFAISZKBSS-UHFFFAOYSA-N 206.163 2.077 0 40 BEAB CCCC[C@@H](CC)C(=O)NCc1nc(C)no1 69893209 ANQQGOGNAOHTKX-SNVBAGLBSA-N 239.319 2.211 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)[C@@H]1CCCCN1 72208308 AVJWUBUGVYRDJL-STQMWFEESA-N 233.311 2.387 0 40 BEAB O=C(O)Cc1cccc2c1SCCC2 82945447 XMFJOEYVBCGNIE-UHFFFAOYSA-N 208.282 2.352 0 40 BEAB Oc1cc2[nH]ncc2cc1Br 84235806 SAMGFFSJTFRHJM-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB in-vitro COCCc1cnc(C(C)C)nc1Cl 85396081 XRSFMCZKNRXDHS-UHFFFAOYSA-N 214.696 2.442 0 40 BEAB Cc1nc(CN(C)CCC(C)(C)O)cs1 86234188 QSBICLWFPXQCDW-UHFFFAOYSA-N 228.361 2.044 0 40 BEAB O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCCS1 89598147 KLRJGAWAKTXEJR-MNOVXSKESA-N 225.357 2.355 0 40 BEAB C[C@H](CNc1ncccc1F)Cn1cccn1 91432207 OHFRQMXZSSHRKX-SNVBAGLBSA-N 234.278 2.165 0 40 BEAB C[C@H](CO)N(C)C(=O)Nc1ccccc1Cl 95443101 HSQQNCGCBWSSSO-MRVPVSSYSA-N 242.706 2.185 0 40 BEAB NC[C@@H]1CCCCN1CCC1CCCC1 96523617 BWROVJAJIZRKEO-ZDUSSCGKSA-N 210.365 2.380 0 40 BEAB CCN1CCC[C@@H]1CNCCCC1CC1 96528424 XHBNKOVUKJPPPU-CYBMUJFWSA-N 210.365 2.251 0 40 BEAB CN(C)c1ccc([C@](C)(O)C2CC2)cc1 96543394 AZRTWRDKMNDVIA-CYBMUJFWSA-N 205.301 2.370 0 40 BEAB CC(C)(C)c1nnc(NCc2cncs2)o1 97375374 QQYVUHIRVCGLPH-UHFFFAOYSA-N 238.316 2.436 0 40 BEAB CC1CC(=O)C(C(=O)c2ccccc2)C(=O)C1 101000000 PNHSZWIEAUFLLM-UHFFFAOYSA-N 230.263 2.054 0 40 BEAB CCc1nnc2sc(-c3ccc(O)cc3)nn12 104689213 FSLFJXLREYHVJR-UHFFFAOYSA-N 246.295 2.121 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@H](C)N)c(OC)c1 108019111 RRLUYITYNNJRHP-AXTRIDKLSA-N 221.300 2.155 0 40 BEAB CC[C@@H](NN)c1cccc(Br)c1 161785234 LNMPLLQQIHIUHF-SECBINFHSA-N 229.121 2.364 0 40 BEAB OC1(Cc2ccc(Cl)cc2F)CCNCC1 163192609 OVZVELFSMYBHCJ-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB Cn1cc(Cc2cccc(Cl)c2)nc1N 199550834 WOWBAWBOIVKMSM-UHFFFAOYSA-N 221.691 2.247 0 40 BEAB CC(=O)c1c(Cl)nc(C)nc1Cl 214582989 VSPDIYYEHGHCDW-UHFFFAOYSA-N 205.044 2.294 0 40 BEAB CCOC(=O)[C@H]1CCC[C@H]2O[C@@H](C)C[C@H]12 225760287 TWTPKDUTNOWMNE-UKKRHICBSA-N 212.289 2.143 0 40 BEAB O=Cc1c(O)cc(F)cc1Br 238697793 YBLQHUVYWIZCDL-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB CC[C@H](C)N1CCC[C@]2(CN(C(C)C)C2=O)C1 585099689 YIKDKAUOMQAHCL-GXTWGEPZSA-N 238.375 2.118 0 40 BEAB OCCCCOCCCc1ccccc1 702210598 DPNSZALSQSAXPO-UHFFFAOYSA-N 208.301 2.408 0 40 BEAB CO[C@H](CCSC)CNC(=O)CC(C)(C)C 1775968297 XRXRRDMLJMHPGQ-SNVBAGLBSA-N 247.404 2.307 0 40 BEAB Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1 1452382 MUPAOMLUTMORSO-GFCCVEGCSA-N 249.310 2.224 0 40 BEAB CCC(CC)C(=O)OCC[C@H](C)OC 2046435 JJVBJDZOSZWBFB-VIFPVBQESA-N 202.294 2.391 0 40 BEAB Cc1n[nH]c2c1[C@H](c1ccc(F)cc1)N(C)C2=O 4909045 IDWAGSRMHFDPTG-LBPRGKRZSA-N 245.257 2.032 0 40 BEAB CC(C)(C)c1ccc(-c2nc(CN)no2)cc1 4942784 DCMBWSIRUNTYNP-UHFFFAOYSA-N 231.299 2.493 0 40 BEAB NC(=O)CSC1=Nc2ccccc2CS1 5296294 ZTCCEXPVUAAUFG-UHFFFAOYSA-N 238.337 2.139 0 40 BEAB CC(=O)CC[C@@H](CC(=O)O)C(C)(C)C 5431118 AOBIQCPWXKKPCH-VIFPVBQESA-N 200.278 2.493 0 40 BEAB CCCC(=O)N[C@@H](CC(=O)O)c1ccccc1 5524527 YIAHNNXXFOPGRC-NSHDSACASA-N 235.283 2.119 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1 5724356 OSDKGOOXTOYVQZ-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB Cc1ccc(/C=C/C(=O)NC2CC2)cc1 6204146 GDGPGYCLJYAXOD-RMKNXTFCSA-N 201.269 2.287 0 40 BEAB CNC(=S)N[C@H]1CCCc2ccccc21 6333451 GBWYIASSWUXXQD-NSHDSACASA-N 220.341 2.158 0 40 BEAB O=C(CCn1ccnc1)OCc1ccccc1 6650405 WJAXPBMVGNQJLY-UHFFFAOYSA-N 230.267 2.017 0 40 BEAB O=C(O)c1ccc(CNc2ccc(O)cc2)o1 8701835 RHUJFZHYZUTZNN-UHFFFAOYSA-N 233.223 2.296 0 40 BEAB CC(C)(COc1ccccc1F)C(=O)O 8730687 JAOXAKAMQJVBOQ-UHFFFAOYSA-N 212.220 2.315 0 40 BEAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1 8730986 NGIZONKBXYKJKA-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB Cc1c(O)nc(-c2ccccc2Cl)oc1=O 16265032 FEKNZXAZOIGGIA-UHFFFAOYSA-N 237.642 2.369 0 40 BEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)O1 32668105 LLKJAIKKDGIIJW-VXGBXAGGSA-N 205.301 2.296 0 40 BEAB CCC(=O)Nc1cc(C(C)(C)C)nn1C 32739361 WPLCSLVOOLHWSL-UHFFFAOYSA-N 209.293 2.066 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](C)C2)n1 32873661 ZZUVVNXERJKIFV-LLVKDONJSA-N 249.358 2.149 0 40 BEAB O=C(O)[C@H](Cc1ccccc1)N1CCCCC1 37362044 FIFXDBMEWBYGKO-ZDUSSCGKSA-N 233.311 2.168 0 40 BEAB C[S@](=O)Cc1c(C(=O)O)oc2ccccc12 40960306 WCAFVOOTIYLSPX-MRXNPFEDSA-N 238.264 2.010 0 40 BEAB in-vitro O=C(O)Cc1cccc(OCc2ccncc2)c1 42417256 IXBPBCHPODMZRI-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB in-vitro CCCOc1ccc(O[C@H]2CCNC2)cc1 42782858 UMGVAMZMVXHSMV-ZDUSSCGKSA-N 221.300 2.216 0 40 BEAB CC(C)=CC(=O)N(Cc1cnn(C)c1)C(C)C 56026145 BHXHXKCTEALDEP-UHFFFAOYSA-N 235.331 2.123 0 40 BEAB Cc1ncsc1C(=O)N(C)[C@@H](C)C1CC1 58283492 BVKVTOXEFCBBBM-QMMMGPOBSA-N 224.329 2.322 0 40 BEAB CC(C)C[C@@H](C)N(C)C(=O)C1CCOCC1 58316481 HPPCQMACITTYBX-LLVKDONJSA-N 227.348 2.306 0 40 BEAB C[C@@H](N)c1nc(-c2ccc(Cl)cc2)n[nH]1 61843939 QJUGQNHMXAWIFM-ZCFIWIBFSA-N 222.679 2.145 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 62720157 DYBOZKSUIBJLJN-NTSWFWBYSA-N 216.158 2.292 0 40 BEAB in-vitro CC(C)(C)SCCNC(=O)c1ccc[nH]1 66738367 HEVAZVVNTCYVFQ-UHFFFAOYSA-N 226.345 2.276 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 71840232 WHVCWCZMWYWXEO-XBFCOCLRSA-N 245.322 2.243 0 40 BEAB Cn1cccc1-c1nnc(C2(C)CCOCC2)o1 71889876 ADTIPGSXSDZDHB-UHFFFAOYSA-N 247.298 2.143 0 40 BEAB C[C@H](NC[C@@H](N)c1ccccc1)c1nccs1 80310463 XRLVYKCVJQZARP-CMPLNLGQSA-N 247.367 2.494 0 40 BEAB COC(=O)C1CCN(c2ccccc2)CC1 82046634 TXVUDADHCCUPHQ-UHFFFAOYSA-N 219.284 2.076 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CF 82163027 IHHSXCLECNNDPN-JGVFFNPUSA-N 203.257 2.259 0 40 BEAB O=C(O)c1cc2c(cc1C(F)(F)F)CCN2 83254794 CNOXCHIVPNAQDW-UHFFFAOYSA-N 231.173 2.372 0 40 BEAB COc1ccc(F)c([C@H](O)C(F)(F)F)c1 84933509 QMLMPVPNDJGQQI-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CSCCN(C)Cc1nc(C)c(C)o1 89558255 WNLUAVZSRUJGPU-UHFFFAOYSA-N 214.334 2.086 0 40 BEAB CC(C)(C)c1nccc(N2CCCC[C@@H]2CO)n1 89761525 AHLDVJNKCABJRR-LLVKDONJSA-N 249.358 2.125 0 40 BEAB CC(=O)CSCc1cccc(NC(C)=O)c1 89930330 CXLWNAPOUXRDBW-UHFFFAOYSA-N 237.324 2.467 0 40 BEAB Clc1ccc(CN[C@@H]2CCCNC2)cc1 95067827 GJTBBSQMEDUCHK-GFCCVEGCSA-N 224.735 2.182 0 40 BEAB CCOC(=O)C(=O)c1ccc(C)c(OCC)c1 95731906 FQEYOVZANQKSPM-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB Cc1cnc(N[C@@H]2CCC[C@]2(C)CO)nc1C 95978540 HAYKHPJOYJHYGP-DGCLKSJQSA-N 235.331 2.056 0 40 BEAB c1cc(C2CCNCC2)n(C2CCC2)n1 96509758 UURDRZZDOIMIHA-UHFFFAOYSA-N 205.305 2.075 0 40 BEAB Cc1cscc1C(=O)OC1CCOCC1 97230282 CLKNKLAHMIOVFL-UHFFFAOYSA-N 226.297 2.392 0 40 BEAB N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 100455196 KIDIWSPNMARBQG-FQUUOJAGSA-N 245.322 2.103 0 40 BEAB in-vitro Cc1cnn(C)c1CNCc1ccccc1 256051228 IHWMWUDJQXIIEF-UHFFFAOYSA-N 215.300 2.018 0 40 BEAB Fc1cccnc1OC[C@@H]1CCCCO1 585654975 OZCDOIDZNTWXJY-VIFPVBQESA-N 211.236 2.169 0 40 BEAB C[C@@H]1CCN(C)c2ccc(C(=O)O)cc21 1531862486 XYIRWAHCIFCQPO-MRVPVSSYSA-N 205.257 2.328 0 40 BEAB O=C(O)[C@@H](O)c1ccc(-c2ccccc2)cc1 1561867 JLZDBGVLWCMKMH-ZDUSSCGKSA-N 228.247 2.472 0 40 BEAB O=C1CC[C@H]2c3[nH]c4ccccc4c3CCN12 1644728 QYILEJPKUMPTSA-LBPRGKRZSA-N 226.279 2.388 0 40 BEAB O=C(O)CSCCCc1ccccc1 1711465 BGBJUCFBIKHHMZ-UHFFFAOYSA-N 210.298 2.437 0 40 BEAB in-vitro Cc1ccccc1N1C(=O)[C@H]2CCCN2C1=S 2789749 GRGZNZGHFWOLDW-LLVKDONJSA-N 246.335 2.091 0 40 BEAB CCc1ccc(NC(=O)COC(=O)C2CC2)cc1 3392895 JIJLXKAZUXFMOB-UHFFFAOYSA-N 247.294 2.141 0 40 BEAB O=C(O)c1cccnc1SCc1ccccn1 5800747 GQDPNCISYDIVST-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 8699556 VOAOYMFECOMDMY-CQSZACIVSA-N 238.290 2.233 0 40 BEAB CCOc1ccccc1C(=S)N(C)C 9188232 ZYIVBFXJAJEWTP-UHFFFAOYSA-N 209.314 2.322 0 40 BEAB CCCSc1nc2c(c(=O)[nH]1)CCCC2 11903486 QLMUHQMRJZXVBW-UHFFFAOYSA-N 224.329 2.151 0 40 BEAB O=C(O)CN1CCC[C@@H]1c1ccc(F)cc1 12397279 YHHQVPJUXBGVQB-LLVKDONJSA-N 223.247 2.047 0 40 BEAB CSCc1cccc(C(=O)N2CCC2)c1 12973393 IXNQHYOEZAKXDF-UHFFFAOYSA-N 221.325 2.396 0 40 BEAB CCOc1ccc(C(=O)NC(C)(C)C)cc1N 20155587 XPZCHEJJOURWHH-UHFFFAOYSA-N 236.315 2.196 0 40 BEAB Cn1cc(NCc2ccccc2F)cn1 20350263 FPKGUHQHHNZUGO-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB CCC(=O)NCc1ccccc1-c1cncnc1 32565167 ZNFHWJMRXXJTIA-UHFFFAOYSA-N 241.294 2.170 0 40 BEAB NCC(=O)N(c1ccccc1)c1ccccc1 34403826 SKOVXWGCQMGKQB-UHFFFAOYSA-N 226.279 2.310 0 40 BEAB COC(=O)CC(C)(C)CC(C)(C)C(=O)OC 34564384 HGTDCJUADYQKMK-UHFFFAOYSA-N 230.304 2.165 0 40 BEAB CCC[C@H](N)C(=O)N(CC)Cc1ccccc1 36873094 HHJPDKQIPXSPQE-ZDUSSCGKSA-N 234.343 2.163 0 40 BEAB O=C(CCc1cccs1)NCC1CC1 40051570 CWODOMNFGVLJDV-UHFFFAOYSA-N 209.314 2.207 0 40 BEAB CCCC(=O)N1CCC[C@H]1c1cccn1C 40473069 KBLZVTMYOSFSGG-LBPRGKRZSA-N 220.316 2.489 0 40 BEAB CCc1ccccc1NC(=O)N(CCO)C1CC1 40526458 CLKBEXGHYIOEMT-UHFFFAOYSA-N 248.326 2.238 0 40 BEAB COC(=O)N1CCO[C@H](c2ccc(C)cc2)C1 41171302 PKPTZONXYFGRPD-LBPRGKRZSA-N 235.283 2.135 0 40 BEAB Cc1nn([C@@H]2CCCC[C@H]2O)c(C)c1C 42287747 RFLPNMCKCPLEIC-VXGBXAGGSA-N 208.305 2.284 0 40 BEAB Cc1nnc(CN2CCCc3ccccc32)n1C 47540923 UIZYZRSBLWTQMD-UHFFFAOYSA-N 242.326 2.076 0 40 BEAB CCC(C)(C)NC(=O)c1cc(C(C)C)[nH]n1 48687927 XWNHCKCDAMRMKD-UHFFFAOYSA-N 223.320 2.452 0 40 BEAB Cc1[nH]ncc1CCCN[C@@H](C)c1ccccn1 50182404 PSMVWIZCXHOBLN-LBPRGKRZSA-N 244.342 2.397 0 40 BEAB Cc1cccnc1NC(=S)NC(C)(C)C 54924837 SHPMFUSZPGAVDZ-UHFFFAOYSA-N 223.345 2.475 0 40 BEAB C[C@](O)(CN)c1ccc2ccccc2c1 55032576 GKYWFUGZFSNSIK-ZDUSSCGKSA-N 201.269 2.006 0 40 BEAB CN(CCNC(=O)C1CCCC1)C1CCCC1 69843450 AWCORJWHZNELBJ-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1O 71372400 MAONMXZZIKVZBB-VHSXEESVSA-N 229.320 2.062 0 40 BEAB in-vitro CC(C)C(=O)N1CCCC[C@H]1c1cc[nH]n1 72361239 YVHYAKCFJSQQAF-NSHDSACASA-N 221.304 2.119 0 40 BEAB CC(=O)N1CCSC[C@H]1c1ccc(C)o1 81346337 BALWWRCKNQPXDG-JTQLQIEISA-N 225.313 2.224 0 40 BEAB Cc1cc(C)cc(C(=O)N(C)C[C@H](O)C2CC2)c1 84083513 ZIYSKIOVSSUGMA-AWEZNQCLSA-N 247.338 2.146 0 40 BEAB CC[C@]1(O)CCN(Cc2ccccc2)C1 84369185 KYCYYTIPNGMWBT-ZDUSSCGKSA-N 205.301 2.033 0 40 BEAB COc1cc(F)c(Br)cc1C=O 90527406 QZLZSRXSIXNQIV-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB CCOc1c(C)cc(-c2noc(CN)n2)cc1C 95095336 AZLXAGDYZLXMGI-UHFFFAOYSA-N 247.298 2.211 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(C)c(F)c1 95731044 OLTQPSPVHYPEMV-UHFFFAOYSA-N 242.271 2.316 0 40 BEAB CS(=O)(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96510123 IRZSJLFMXFSOGV-ZJUUUORDSA-N 230.716 2.241 0 40 BEAB CC(C)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100625247 ZUYPESQMYNAILG-KKUMJFAQSA-N 234.387 2.225 0 40 BEAB CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 131629777 CJAQGNWNALLARN-STQMWFEESA-N 219.284 2.043 0 40 BEAB COc1ccc(CCn2cc(F)ccc2=O)cc1 190747141 VZTLJQBNZGKVMQ-UHFFFAOYSA-N 247.269 2.239 0 40 BEAB CN1CCC[C@H](c2cccc(-c3ccn[nH]3)n2)C1 205694962 YWBSZFBKDGRRAW-NSHDSACASA-N 242.326 2.281 0 40 BEAB CC[C@H]1NCCC[C@H]1[C@@H](O)c1ccccc1 216536584 HTUWJVPCNGAXBL-MCIONIFRSA-N 219.328 2.498 0 40 BEAB COC(=O)c1cccn1-c1ccccc1F 223731518 KGXPLXHGOWOTSA-UHFFFAOYSA-N 219.215 2.403 0 40 BEAB CCO[C@H](Cc1cc(C)ccc1C)C(=O)O 225029696 FWKJRWCFNGTWPP-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB Cc1cccc(-c2nc(C)cc(NCCO)n2)c1 225325742 CPCIYEFQMBCGJP-UHFFFAOYSA-N 243.310 2.165 0 40 BEAB CO[C@H](CNC(C)=O)c1ccc(Cl)s1 225699593 BFBVZDQHZQZJCU-SSDOTTSWSA-N 233.720 2.225 0 40 BEAB C[C@@H](O)c1ccc(N(C)C(=O)C(F)(F)F)cc1 226272695 DJDUXFMSOWGYIW-SSDOTTSWSA-N 247.216 2.265 0 40 BEAB COc1c(CO)ccc(Cl)c1Cl 299890142 USWHCEULLKBIRX-UHFFFAOYSA-N 207.056 2.494 0 40 BEAB Cc1ccc(Nc2cc(C)ncn2)nc1 1565522628 WGCJNYYVGMRESF-UHFFFAOYSA-N 200.245 2.232 0 40 BEAB Nc1cc(-c2cccc(C(F)(F)F)n2)no1 1857794344 IPXDKFOFHVWFMG-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB CCC(CC)C(=O)NCc1cccnc1 341790 KXHDWIMDZWKSAU-UHFFFAOYSA-N 206.289 2.134 0 40 BEAB C[C@H]1C[C@@H]1NC1CCN(c2ccccn2)CC1 52273502 HIEZULJZBHYDOO-AAEUAGOBSA-N 231.343 2.048 0 40 BEAB CCCCOC(OCCCC)[C@@H](C)N 2042291 WQIXGBHYNSNMOL-SNVBAGLBSA-N 203.326 2.293 0 40 BEAB CN(C)C(=O)c1coc2nc3ccccc3nc12 2198003 UGBAFGRQWAFJMM-UHFFFAOYSA-N 241.250 2.078 0 40 BEAB Cc1ccccc1OCCCN(C)CCCO 52457794 AHIUUHQGXSRJGR-UHFFFAOYSA-N 237.343 2.078 0 40 BEAB CN(C)CCNCc1ccc(C(F)(F)F)cc1 21960450 RGHPYGSBYHJEQN-UHFFFAOYSA-N 246.276 2.357 0 40 BEAB CC1(C)OCCN2C(=O)O[C@]3(C)CC[C@@H]1[C@]23C 102998907 ZWWCSLNKKSSOED-BIMULSAOSA-N 239.315 2.175 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@@H](C)O)c(OC)c1 20392304 CULABQLGBWDNOG-FXAINCCUSA-N 222.284 2.188 0 40 BEAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCO1 25558685 LLFLLRVMZDJMSH-VIFPVBQESA-N 238.312 2.138 0 40 BEAB COC[C@@H](C)NCc1cccc(F)c1F 35223613 BBXMHGPGJXCZIL-MRVPVSSYSA-N 215.243 2.089 0 40 BEAB O=C(O)c1cn[nH]c1-c1ccc(Cl)s1 35286294 TXZMKULDVPYEGO-UHFFFAOYSA-N 228.660 2.490 0 40 BEAB in-vitro CC(C)C[C@H](CO)N[C@H]1C[C@H]2CC[C@H]1C2 101617194 GGASHPDUNHTKNF-RVMXOQNASA-N 211.349 2.172 0 40 BEAB C[C@H]1[C@@H](C)[C@@]2(C)NC(=O)[C@]3(C)[C@]2(C)[C@@]13C 104276665 VLAQZFRGUKAXMA-SWVWBWAISA-N 207.317 2.193 0 40 BEAB Cc1nc(C(=O)OC[C@@H]2CCCCO2)cs1 69315092 QJYJRUWZWXMCHL-VIFPVBQESA-N 241.312 2.177 0 40 BEAB Cc1noc(C)c1CN[C@H](C)[C@H](C)n1cccn1 69368801 NFPKGUAXOXIWSV-KOLCDFICSA-N 248.330 2.227 0 40 BEAB COc1cc2c(c(OC)c1)C(=O)[C@H](C)C2 21989834 IFZXCQPMQSSVKJ-SSDOTTSWSA-N 206.241 2.079 0 40 BEAB CN(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 39325938 JGMMNOYMEULLTJ-NSHDSACASA-N 242.363 2.195 0 40 BEAB COCc1c(Br)cnn1C(F)F 408716001 HTYNCXZHXIYRKP-UHFFFAOYSA-N 241.035 2.187 0 40 BEAB CC[C@@H](C)N(C)CCNC(=O)c1ccccc1C 66137574 HKXAPPSGEYWAQK-CYBMUJFWSA-N 248.370 2.455 0 40 BEAB COc1ccc(Cl)c2c(=O)cc(C)[nH]c12 8700576 BEXGEZNCPYSKEH-UHFFFAOYSA-N 223.659 2.499 0 40 BEAB CN(CC(=O)N(C)C1CC1)CC1CCCCC1 67456826 HJHVICRUKIHNER-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB COc1ccc(C(=O)NCc2ccco2)cc1F 7124135 KUBBKUUTVSZJGC-UHFFFAOYSA-N 249.241 2.357 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2)s1 27919528 GQBSOUPSFJYLJW-SECBINFHSA-N 249.339 2.281 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)CCC(F)(F)F 84124080 CGMDFRVCPMKQMS-UHFFFAOYSA-N 235.209 2.308 0 40 BEAB OCCCCCSCCCCCO 26897398 FFFHZECJOWWELI-UHFFFAOYSA-N 206.351 2.045 0 40 BEAB O=C(Nc1ccc(O)c(Cl)c1)c1ccnnc1 96500452 ZBSMUXUAKVOEKT-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB CO[C@@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 9731019 JIAAFQJZASGXKZ-OAHLLOKOSA-N 245.322 2.380 0 40 BEAB COc1ccc(CCSc2cn[nH]n2)cc1 95411492 QLQZVZGIJOWHQO-UHFFFAOYSA-N 235.312 2.148 0 40 BEAB NCCc1cc(Cl)ccc1OC(F)F 37721062 IELOSIRXFGITGV-UHFFFAOYSA-N 221.634 2.443 0 40 BEAB CCn1c(CN)nc2cc(Cl)ccc21 37440347 CUKJFEOGLUNINW-UHFFFAOYSA-N 209.680 2.168 0 40 BEAB C[C@@H](CC(=O)Nc1ccccc1)[C@H]1CCCN1 72208206 VFKXYTDTXIIOOX-WCQYABFASA-N 232.327 2.403 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=S 70649947 OLZRMIGDZLTJLM-MRVPVSSYSA-N 244.360 2.062 0 40 BEAB CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CC1 32760928 VMBNLEMVPLUQRC-FOSCPWQOSA-N 249.354 2.393 0 40 BEAB CN1C[C@H](N)[C@H](c2ccc(Cl)cc2Cl)C1 217661274 DCULMEWANYUGGF-ONGXEEELSA-N 245.153 2.350 0 40 BEAB O=C(C[C@@H]1C=CCC1)N[C@H]1CCN2CCCC[C@@H]12 60568016 WVMGRYUBYQXGCN-RDBSUJKOSA-N 248.370 2.086 0 40 BEAB CC(C)(N)c1cccc(Br)n1 83298933 JLHDHZUPTYHJFU-UHFFFAOYSA-N 215.094 2.038 0 40 BEAB O=C(c1ncco1)c1cccc(F)c1F 85651164 WBFWSVKYIRJRLE-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB CCCCn1c(CCOC)ccc1C(=O)O 226030585 DDYVEDWDZUONSF-UHFFFAOYSA-N 225.288 2.175 0 40 BEAB CCCCCCNCc1cnn(C)c1C 86551886 FXACPQJZKWEWOK-UHFFFAOYSA-N 209.337 2.398 0 40 BEAB C[C@H](O)c1cccc(C(=O)OC(C)(C)C)c1N 90624090 JKQYBLXDXZDELX-QMMMGPOBSA-N 237.299 2.277 0 40 BEAB O=C(Nc1cc(F)ccc1O)C1CC=CC1 98018460 TYXMFRGFPJBOSK-UHFFFAOYSA-N 221.231 2.436 0 40 BEAB CCn1ccc(CNc2cnn(C(C)C)c2)n1 256052519 NQTVDELANYKNNG-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB Cn1cccc1CNc1ccn(C(F)F)n1 256055267 ZZVMZXMRTWZSBS-UHFFFAOYSA-N 226.230 2.229 0 40 BEAB CCOc1nc2c(OC)cccc2cc1N 685938511 MJWAXLQBNTTYRC-UHFFFAOYSA-N 218.256 2.224 0 40 BEAB CC(C)COC(=O)Cc1cccc(N)c1 52923742 OPXZIWUFWNDBNZ-UHFFFAOYSA-N 207.273 2.011 0 40 BEAB Cc1ccc([C@@H]2OCCC[C@@H]2CN)cc1 70621996 GIHZZIZFMMONAF-OLZOCXBDSA-N 205.301 2.421 0 40 BEAB in-vitro Cc1ccc([C@](N)(C(=O)O)c2ccccc2)cc1 2047978 XBGFDGWLOAEVHN-HNNXBMFYSA-N 241.290 2.282 0 40 BEAB CCCn1cc2c(C(F)F)cc(=O)[nH]c2n1 12398263 FAIIEMOYHBWCNQ-UHFFFAOYSA-N 227.214 2.072 0 40 BEAB CCCNC(=O)NCc1ccc(F)cc1 30987663 MKWKNTMZKHDFRK-UHFFFAOYSA-N 210.252 2.035 0 40 BEAB Cn1c(C2CCCCC2)nn(CC2CC2)c1=O 585651394 PHWKRWIFZXVGJC-UHFFFAOYSA-N 235.331 2.040 0 40 BEAB O=C(CC(=O)C(F)F)c1ccc(F)cc1 100478883 QRGKDXJGWCBIFV-UHFFFAOYSA-N 216.158 2.233 0 40 BEAB in-vitro O=C(CCc1cccc(F)c1)Nc1cn[nH]c1 40087190 UUWDUTZQNUSEDP-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB OCc1cccnc1Oc1ccccc1 3844302 DSOUPPXWSDSWQZ-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB biogenic CC1CCN(CC[C@H]2CCCCN2)CC1 4312808 PHATVJZYDAORTL-CYBMUJFWSA-N 210.365 2.251 0 40 BEAB CSc1ccc(-c2cc(C(N)=O)on2)cc1 5019040 MQYRAPVMSBNTNX-UHFFFAOYSA-N 234.280 2.162 0 40 BEAB Cc1nnnn1-c1ccc2ccccc2c1 5664871 OMVANAFZKDWJMZ-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB O=C(O)C1(c2cccc(Cl)c2)CCOCC1 9280611 IFGNECIEJYKTRC-UHFFFAOYSA-N 240.686 2.473 0 40 BEAB O=C(c1ccccc1Br)N1CCC1 12919890 FCZXSRCEGYGCMI-UHFFFAOYSA-N 240.100 2.295 0 40 BEAB COC(=O)/C=C/c1c(C)nc(Cl)nc1Cl 13774767 NZLQYIUUKDMPRZ-ONEGZZNKSA-N 247.081 2.278 0 40 BEAB COc1ccc(-c2csc(N)n2)c(O)c1 15956992 CYMNSEWJAXMDRV-UHFFFAOYSA-N 222.269 2.107 0 40 BEAB in-vitro C[C@H](N[C@H](C(=O)O)C1CC1)c1ccccc1 16697684 SZDGZZWHZMCCQO-CABZTGNLSA-N 219.284 2.200 0 40 BEAB Nc1c(S)nc(C(F)(F)F)nc1Cl 17315217 JXDFDKSHBPFNSD-UHFFFAOYSA-N 229.614 2.020 0 40 BEAB COc1ccc(-c2noc([C@H](N)C(C)C)n2)cc1 19785565 RZHLEXZWVUWVDL-LLVKDONJSA-N 247.298 2.401 0 40 BEAB CC(C)[C@H]1COC(=O)N1c1ccc(C=O)cc1 26897204 MXZVTDFURBBSJT-GFCCVEGCSA-N 233.267 2.480 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 31257107 JABPLQKEBIBPDY-SSDOTTSWSA-N 234.255 2.106 0 40 BEAB COc1cccc(N(C)C(=O)c2ccccc2)n1 32876336 RMTZQACETBKVGJ-UHFFFAOYSA-N 242.278 2.367 0 40 BEAB COCc1ccc(CNC(=O)CC(C)C)cc1 36390522 ZSGPOLNXMHSSJY-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB CNC1CCN(Cc2ccc(F)cc2)CC1 37241928 SODYUCNWDQJUMV-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB O=C(c1ccno1)N1CC[C@@H](c2ccccc2)C1 38935572 DPUAWVNPAOZTRN-GFCCVEGCSA-N 242.278 2.304 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)CC12CCC2 39075729 CDFOYUMGBSSYSV-UHFFFAOYSA-N 211.261 2.077 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)C1CCC1 40074728 HQJUNOSNCCLKFY-SECBINFHSA-N 207.273 2.127 0 40 BEAB Cc1csc(NC(=O)c2ccc[nH]2)n1 58244874 YAYWDKUPLXTMQO-UHFFFAOYSA-N 207.258 2.032 0 40 BEAB CCN1Cc2cc(Br)ccc2C1=O 59864509 ISLQWKZPHWKYQR-UHFFFAOYSA-N 240.100 2.425 0 40 BEAB C[C@H](N)c1ccc(F)cc1OC(F)F 62745842 PZJJUPMUYZHXIQ-YFKPBYRVSA-N 205.179 2.447 0 40 BEAB in-vitro OC1(Cc2ccccc2Cl)CCOCC1 63076840 AEYFZFIBXGWWLB-UHFFFAOYSA-N 226.703 2.424 0 40 BEAB O=C(CCNc1ccccc1)NCC1CC1 69439511 PEPPXSBOJWIQCH-UHFFFAOYSA-N 218.300 2.015 0 40 BEAB CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)O 69551911 HJFHLUQGWPTHMM-MRVPVSSYSA-N 231.292 2.107 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)Nc1cn[nH]c1 70036941 HFXUDOWKKVOICJ-SECBINFHSA-N 242.282 2.393 0 40 BEAB CC[C@@H]1c2ccccc2CCN1C[C@H](O)COC 71907949 MWEMIJOSGBKUCA-DZGCQCFKSA-N 249.354 2.003 0 40 BEAB COc1cc(C)c([C@H]2CCCCN2C(C)=O)cn1 72218051 WXBQFCPGGLYAIK-CYBMUJFWSA-N 248.326 2.472 0 40 BEAB c1ccc([C@H]2CCCN(C3CCOCC3)C2)nc1 72381929 AYRWFNVHGWTQKB-ZDUSSCGKSA-N 246.354 2.440 0 40 BEAB CCOC(=O)CCc1ccc(OC)c(F)c1 82719749 GWEBWDIVJUCEAX-UHFFFAOYSA-N 226.247 2.330 0 40 BEAB COc1c(Br)cccc1[C@H](C)N 83071121 BNKBTDLQIVASDA-LURJTMIESA-N 230.105 2.477 0 40 BEAB COc1ccc2c(c1)[C@]1(CCC2)CCN1 86119571 MXUXSPANGDUUPB-ZDUSSCGKSA-N 203.285 2.220 0 40 BEAB CO[C@@H](C)CC(=O)Nc1ccc(O)c(Cl)c1 97060362 LZTJSXVLHAHOQC-ZETCQYMHSA-N 243.690 2.409 0 40 BEAB CCn1cnnc1CN[C@H]1CCC[C@H](C)[C@@H]1C 97237425 QDSVUTKYFJQKOM-SRVKXCTJSA-N 236.363 2.212 0 40 BEAB Cc1cccn2c(CNc3ccon3)cnc12 97379566 NVKGXUMKEQULQG-UHFFFAOYSA-N 228.255 2.243 0 40 BEAB O=COCCCC(F)(F)C(F)(F)F 98210600 TULHCRFSOXLRBR-UHFFFAOYSA-N 206.110 2.137 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@]21CCC(=O)O1 100367067 NAQMCLGSTRGHTN-OXHMUOHRSA-N 222.284 2.087 0 40 BEAB CSc1cccc(-n2cc([C@H](C)O)nn2)c1 163363669 NLSJJFXLDLMWSD-QMMMGPOBSA-N 235.312 2.043 0 40 BEAB CC[C@@H](C)[C@H]1COC(c2ccccn2)=N1 196469089 HACGYFCGBPVQLQ-MWLCHTKSSA-N 204.273 2.273 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@]1(C)CN 216553655 UCDITJRJTQLEDR-GFCCVEGCSA-N 228.336 2.125 0 40 BEAB COC(=O)c1cccn1-c1ccc(N(C)C)cc1 223740941 QJBQUVOHJKYTIP-UHFFFAOYSA-N 244.294 2.330 0 40 BEAB CC[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1N 225407892 GIEOBHJBUTYVHH-VIFPVBQESA-N 247.342 2.371 0 40 BEAB Cc1noc(C)c1CN(C)CCOCC(C)C 225427075 YFSFUBUDQGASBM-UHFFFAOYSA-N 240.347 2.396 0 40 BEAB O[C@@H]1CC[C@@H]1Nc1ncnc2ccc(Cl)cc12 585298179 REEXJWBZDZDENV-WDEREUQCSA-N 249.701 2.218 0 40 BEAB CC(C)(C)OC(=O)[C@H]1[C@H]2CC[C@@H]1C[C@H](N)C2 1857522577 ZCLHRPOKTQSBAR-CKIJPRSSSA-N 225.332 2.092 0 40 BEAB COc1cccc(N2CCC(C)CC2)n1 1889074445 WZPRDZHDQHPWIZ-UHFFFAOYSA-N 206.289 2.327 0 40 BEAB Clc1nc2nc3n(c2nc1Cl)CCC3 1655764 KOCHMBKRMMXQDV-UHFFFAOYSA-N 229.070 2.079 0 40 BEAB CCCC(=O)Nc1cc(C(=O)O)ccc1OC 6263817 ZPOKMFHGBAQTIV-UHFFFAOYSA-N 237.255 2.132 0 40 BEAB CCOc1ccc([C@@H]2C[C@@H]2CNC)cc1 54588786 NIFATAJCKVXGJO-YPMHNXCESA-N 205.301 2.408 0 40 BEAB c1cncc(-c2nnc3n2-c2ccccc2CC3)c1 1273976 AGTMAYYRJCRYDO-UHFFFAOYSA-N 248.289 2.428 0 40 BEAB COC(=O)[C@H](N)c1cccc(Cl)c1Cl 37459750 RIAVGLDRZKVQHO-MRVPVSSYSA-N 234.082 2.166 0 40 BEAB biogenic c1ccc([C@@H]2CSc3cccc[n+]3O2)cc1 1443682 AZPIKZCKKZULAP-LBPRGKRZSA-N 230.312 2.250 0 40 BEAB COC(=O)CCc1c(C)c(C=O)c2ccccn12 12505231 JORSIIZSZYLUKT-UHFFFAOYSA-N 245.278 2.166 0 40 BEAB CC[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1 36533486 SSUDXAJZFRPCNY-LBPRGKRZSA-N 228.336 2.125 0 40 BEAB O=Cc1c[nH]nc1-c1ccc2c(c1)OCCCO2 3888573 YPTBUFWKRCIYGE-UHFFFAOYSA-N 244.250 2.051 0 40 BEAB CN(C)C(=O)C[C@H]1CCOc2ccccc21 96410019 ABRNQOUKNUZCPP-SNVBAGLBSA-N 219.284 2.031 0 40 BEAB Cc1c(C(=O)O)ccc2cnc(C3CC3)n12 95221021 GEEJJJDJRQFITF-UHFFFAOYSA-N 216.240 2.218 0 40 BEAB in-vitro CCO[C@H]1C[C@@H](NC(=O)C2CC2)C12CCCC2 89986046 CNPBHIFLTQFHAA-NEPJUHHUSA-N 237.343 2.250 0 40 BEAB C[C@@H](SC[C@H](O)CO)c1c(F)cccc1F 89904503 OAYPLTBJUMHENG-HTQZYQBOSA-N 248.294 2.112 0 40 BEAB CCCCCNC(=O)Cc1cccc(N)c1 20155018 GNOSOWMBMOHSOK-UHFFFAOYSA-N 220.316 2.118 0 40 BEAB COc1ccc2c(c1)[C@H]1ON=C[C@@H]1CC2 408721917 BIJUKCPADWBNRC-CABZTGNLSA-N 203.241 2.315 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN1Cc1ccccn1 72357080 HLXNNVLALVNKFG-CYBMUJFWSA-N 242.326 2.450 0 40 BEAB C[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 128840107 JUAGDNMRVSRYBP-SBFPOUOMSA-N 211.349 2.172 0 40 BEAB CC(C)Cn1ccc(Br)n1 72339559 QCKZMRSJDCPZIC-UHFFFAOYSA-N 203.083 2.302 0 40 BEAB O=C(c1ccccc1)N1CCN[C@H]2CCCC[C@H]21 72210178 YKGRKMSDSHKIMV-UONOGXRCSA-N 244.338 2.043 0 40 BEAB CC(C)CNc1ccc(N)cc1C(=O)NC(C)C 225453496 IOFHRAJAIVVMOA-UHFFFAOYSA-N 249.358 2.475 0 40 BEAB O=C(O)C1(COc2ccc(F)cc2)CCC1 85390452 YVSAFHPVRLTMKE-UHFFFAOYSA-N 224.231 2.459 0 40 BEAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)CN21 222639307 UYNCEWGAJVXHGO-GXSJLCMTSA-N 233.340 2.320 0 40 BEAB CCCOc1nccc(N)c1Br 238267164 GBUAPJZWOQSVEN-UHFFFAOYSA-N 231.093 2.215 0 40 BEAB O=Cc1ccccc1CN1CCSCC1 95728620 UXWLWCUWMSYKAX-UHFFFAOYSA-N 221.325 2.048 0 40 BEAB CO[C@H]1CCC[C@@H]2CN(c3ncc(C)cn3)C[C@@H]21 96248984 HAWYPWZDLSXXTE-AGIUHOORSA-N 247.342 2.036 0 40 BEAB c1cc(C[C@H]2CNCCOC2)c2ccncc2c1 257197762 IPOHPWMXJFTXBR-LBPRGKRZSA-N 242.322 2.013 0 40 BEAB C[C@H](SCC(C)(C)C)c1nnnn1C 252501479 UFQBRKUOTOAEKK-ZETCQYMHSA-N 214.338 2.050 0 40 BEAB CCn1cnc2c(N3CCC(C)CC3)ncnc21 299642616 SYXNHEULTPAHSO-UHFFFAOYSA-N 245.330 2.083 0 40 BEAB Cc1cccc(C(=O)CSCC(=O)O)c1C 95634233 RRXYVBNDCRGERV-UHFFFAOYSA-N 238.308 2.304 0 40 BEAB CC[C@H](C)N1CCC[C@@]2(CN(C(C)C)C2=O)C1 585099690 YIKDKAUOMQAHCL-JSGCOSHPSA-N 238.375 2.118 0 40 BEAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)N1 44257038 MFQNCAJDZYYXJU-MRVPVSSYSA-N 215.174 2.266 0 40 BEAB COC(=O)c1c[nH]nc1-c1cccc(F)c1 1776011355 GRGNFATZDPYSNM-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB C[C@@H]1CC(=O)N=C(SCc2ccccc2)N1 6794867 VYRUXUFETPPKGS-SECBINFHSA-N 234.324 2.184 0 40 BEAB CCc1cnc2ccccc2c1C(=O)O 1583648 VZNJFRIPRWNVLS-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB COc1ccc(C(=O)O)cc1OCC(C)C 19506722 KJSQGQJPEFWNIL-UHFFFAOYSA-N 224.256 2.428 0 40 BEAB CN(Cc1ccccc1)C[C@@H]1CCCCN1 20072511 HWUKMLXFIHYODW-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1N 20195103 ZMYYRHIGHWVZEW-UHFFFAOYSA-N 232.327 2.449 0 40 BEAB CCOc1ccccc1C(=O)CCC(=O)O 2579968 CBCGHBBXNYFBMF-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2530065 MWOMAVYZRMNVDD-IUCAKERBSA-N 245.319 2.401 0 40 BEAB CC(C)(C)OC(=O)NCC1CCC(CN)CC1 404007 NYXOBVVHJZENCO-UHFFFAOYSA-N 242.363 2.276 0 40 BEAB in-vitro CC(C)C(=O)Nc1cccc2nsnc12 373628 IRGPRNFQJUFQQM-UHFFFAOYSA-N 221.285 2.286 0 40 BEAB CS(=O)(=O)Nc1c(Cl)cccc1Cl 1470730 SQXDJONYELKNFO-UHFFFAOYSA-N 240.111 2.365 0 40 BEAB Cc1cccc(N)c1C(=O)OCc1cccnc1 41099995 FRYREKOIMUDTLL-UHFFFAOYSA-N 242.278 2.329 0 40 BEAB O=C(NCc1ccncc1)c1ccccc1 4406400 VDJSXBBFSHLEHE-UHFFFAOYSA-N 212.252 2.012 0 40 BEAB C[C@@H]1CN(C(=O)C2CC2)c2ccccc2NC1=O 21793328 BBKBJRKGSIWUCI-SECBINFHSA-N 244.294 2.018 0 40 BEAB Cc1cccc(NC(=O)[C@@H](C)SCCO)c1 33045873 QTTHWHLMAQISMV-SNVBAGLBSA-N 239.340 2.048 0 40 BEAB O=c1o[nH]c2c1cnc1ccc(Cl)cc12 100889141 OINZTXGUVGKJDN-UHFFFAOYSA-N 220.615 2.323 0 40 BEAB Fc1cccnc1NC[C@@H]1CCCOC1 54700680 JTIBRXZUSMPHIS-VIFPVBQESA-N 210.252 2.059 0 40 BEAB Cc1oc(-c2ccsc2)nc1CC(=O)O 57218472 ZPWGLCHQTGQZEO-UHFFFAOYSA-N 223.253 2.339 0 40 BEAB in-vitro CCc1ccc(C(=O)N(C)[C@@H](CC)C(=O)O)cc1 44612060 MHLUMHIZDHNULF-LBPRGKRZSA-N 249.310 2.184 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1F 10030141 GHZREYDCAKEYHR-SSDOTTSWSA-N 249.282 2.042 0 40 BEAB Cc1c(C(=O)O)cnn1-c1cc(F)cc(F)c1 36047708 KKSVJUVNHWBSEG-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2nc(C)no2)cc1 58246163 AHGMVIQBAQGAOM-SECBINFHSA-N 245.282 2.177 0 40 BEAB COc1cccc(C(=O)CC(C)(C)C(=O)O)c1 2378752 HZTLYJVRGLYRHJ-UHFFFAOYSA-N 236.267 2.379 0 40 BEAB Cc1ccc(C(=O)C(=O)NCc2ccco2)cc1 48381303 IYJLFPCYXZWMCK-UHFFFAOYSA-N 243.262 2.087 0 40 BEAB Nc1c2c(nn1-c1ccccc1)CSC2 2454957 PVKVTEYRFBNYMQ-UHFFFAOYSA-N 217.297 2.201 0 40 BEAB in-vitro C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1C 13024120 SCCZZHWSMQEVST-RKDXNWHRSA-N 235.331 2.312 0 40 BEAB COc1ccc2ccc(OC)c(CO)c2c1 8727937 OLBXWIJEZKBUBV-UHFFFAOYSA-N 218.252 2.349 0 40 BEAB Cc1cc(C)n(-c2cc(C(=O)O)ccc2C)n1 4511168 JKJCWJGBTJPKEQ-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB CCN1C(=O)COc2ccc(Cl)cc21 15018933 KQHXBDQOCZYRAU-UHFFFAOYSA-N 211.648 2.085 0 40 BEAB N[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1 19273122 IOIVLHZNPOACPZ-NEPJUHHUSA-N 209.264 2.474 0 40 BEAB Cc1ccc(-c2csc(CC(N)=O)n2)cc1C 8042200 ISQPFSWGGGAMRQ-UHFFFAOYSA-N 246.335 2.455 0 40 BEAB Cc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c(C)c1 70075823 SVWZBLKGFIOGCX-CHWSQXEVSA-N 246.354 2.126 0 40 BEAB COc1cccc(CNc2ncccc2C)n1 83356734 NNJJCJHKLASALX-UHFFFAOYSA-N 229.283 2.406 0 40 BEAB Nc1ccc2nnc(-c3cccs3)n2c1 19753825 CJAOHYASYGNKNO-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB Cc1ccc(-n2[nH]c(C(F)(F)F)cc2=O)cc1 9486770 RRYLINGFJHFONY-UHFFFAOYSA-N 242.200 2.493 0 40 BEAB Cc1cccc(C(=O)N2CCCO2)c1C 97083463 BSBOTWXLSJMOHZ-UHFFFAOYSA-N 205.257 2.081 0 40 BEAB COCCCn1ccc(=O)c2ccccc21 97114864 RRJXJYOWAMWRIO-UHFFFAOYSA-N 217.268 2.038 0 40 BEAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CC1 38490063 LPPGFWJMMNFCHM-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB CCNC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1 217526639 BHTAVLZTAFSIHV-UONOGXRCSA-N 246.354 2.048 0 40 BEAB Nc1c(Cl)nc(Cl)nc1C(F)F 217639005 JLKULAOXLRHJKG-UHFFFAOYSA-N 214.002 2.303 0 40 BEAB COc1ccc(-n2ccc(C(=O)O)c2C)cc1 75420435 GOPCTKXBVUEOLR-UHFFFAOYSA-N 231.251 2.493 0 40 BEAB Clc1cccc2c(N3CCNCC3)ccnc12 36373888 LANLIVCVVSGVNE-UHFFFAOYSA-N 247.729 2.298 0 40 BEAB Cc1cc(CCNC(=O)c2cccs2)on1 77122650 HYQBQAQNYNXKSP-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB CCN(C)c1ccc([C@@H]2CCCN2C(C)=O)cn1 72212709 YJHQLQCLPSMEML-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB CCCn1cnc2c1CCC[C@H]2CCN 217784084 PIKKXKMYCILZCV-JTQLQIEISA-N 207.321 2.062 0 40 BEAB COc1ccc(/C=C/[C@@H](C)N)cc1OC 83592251 QCOGFGGEQMCAEH-XNPJLODASA-N 207.273 2.064 0 40 BEAB C/C(=C\C(=O)O)C/C(C)=C/[C@@H](C)C(=O)O 225460436 WLVNOJMYBIEIPJ-VTNPWJGKSA-N 212.245 2.074 0 40 BEAB biogenic,in-vitro Cc1cc(Cl)cnc1NC(=S)NC1CC1 224030516 PSQIYYYAKJHGNZ-UHFFFAOYSA-N 241.747 2.492 0 40 BEAB COc1c(C)cccc1CNC[C@@H]1CCCO1 95094802 JPIHBGQTNSTROH-ZDUSSCGKSA-N 235.327 2.272 0 40 BEAB c1cc(OC[C@@H]2NCCc3sccc32)ccn1 96526599 LVYYJCCSTILEBP-LBPRGKRZSA-N 246.335 2.409 0 40 BEAB Nc1ccc(-c2cc[nH]c(=S)n2)cc1 91695958 NNRFFSXXJVTQNO-UHFFFAOYSA-N 203.270 2.388 0 40 BEAB CCN(CCOC)Cc1ccc(OC)cc1 52039512 DSQWWUBIZRCSPP-UHFFFAOYSA-N 223.316 2.164 0 40 BEAB O=c1[nH]c2ccc(Cl)c(Cl)c2[nH]1 238533313 BNPSZPFJQMZOTF-UHFFFAOYSA-N 203.028 2.163 0 40 BEAB CC[C@H](NCCN1CCCCC1)C(C)C 49574916 DZFOWRRBJIYFKQ-ZDUSSCGKSA-N 212.381 2.497 0 40 BEAB COc1ccccc1CNc1nc(C)ns1 83647862 XYZVMWLJLJVRMQ-UHFFFAOYSA-N 235.312 2.467 0 40 BEAB Cc1ccc(F)cc1CN(C)C[C@H](O)C1CC1 195572363 HEBGISYPMQGPPP-AWEZNQCLSA-N 237.318 2.337 0 40 BEAB C[C@@H](NC[C@@H](C1CC1)N(C)C)C(C)(C)C 95420555 MHYOZZSVDXYXMW-PWSUYJOCSA-N 212.381 2.351 0 40 BEAB CC[C@@H](C)CN(CC)Cc1cc(=O)c(O)co1 96452044 AGPLSIZLPZCXFV-SNVBAGLBSA-N 239.315 2.213 0 40 BEAB Cc1csc(N2C[C@@H]3CCC[C@@]3(CO)C2)n1 1888844172 UBQZSSGJFOPCAG-JQWIXIFHSA-N 238.356 2.050 0 40 BEAB COc1cc(NC(N)=S)c(OC)cc1Cl 13658996 ISYJPUXGDXZTPR-UHFFFAOYSA-N 246.719 2.013 0 40 BEAB C=C1c2cc(OC)c(OC)cc2CCN1C(C)=O 2387066 JRMQVUQWPOMMAD-UHFFFAOYSA-N 247.294 2.079 0 40 BEAB Cc1ccc(NC(=S)NCc2ccco2)nc1 5225343 AEOIEQGHWZJYPA-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB N[n+]1cc2ccccc2cc1C(=O)c1ccccc1 162432 LXILHQQRFXDSJW-UHFFFAOYSA-O 249.293 2.072 0 40 BEAB COCCNC(=S)Nc1ccc(C)cc1C 13788718 GYEGVLTUEICVBY-UHFFFAOYSA-N 238.356 2.236 0 40 BEAB Cc1cc(Br)cc2nccn12 1857791422 HTLMWXVQZLOQHH-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB COC(=O)c1ccc(C(=O)C2CC2)cc1 203772851 QUSDSASRVONPMS-UHFFFAOYSA-N 204.225 2.066 0 40 BEAB CNc1ncnc2c1[nH]c1ccc(F)cc12 544978 VRUDWZMCMLQDFG-UHFFFAOYSA-N 216.219 2.292 0 40 BEAB CCCNC(=O)c1ccc2nc(N)sc2c1 20154882 QXGCZVJONFROMF-UHFFFAOYSA-N 235.312 2.018 0 40 BEAB OCc1ccc(OC(F)F)cc1OC(F)F 20281185 NZHFPWSFMUZZQG-UHFFFAOYSA-N 240.152 2.382 0 40 BEAB CCCn1nccc1NC(=O)c1ccc(C)nc1 31769472 PUIMQUJNHSHAPW-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB Cc1ccc(NC(=O)N(CCO)C2CC2)c(C)c1 40525361 ZVLNABGKDPYJMM-UHFFFAOYSA-N 248.326 2.292 0 40 BEAB CC(C)[C@@](O)(CC(=O)O)c1ccc(F)cc1 32015150 RXAUWKKLCQIFCU-LBPRGKRZSA-N 226.247 2.144 0 40 BEAB CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1C(=O)O 2555509 GKDUYHIMOWUHAF-UFBFGSQYSA-N 243.303 2.155 0 40 BEAB CCCCCCOCCNc1ccnc(N)n1 1670190 KXKYPTLDDVECKI-UHFFFAOYSA-N 238.335 2.068 0 40 BEAB O=C(O)c1ccc(NC2(C(=O)O)CCCC2)cc1 1675867 RVSOCVTVRRUWOB-UHFFFAOYSA-N 249.266 2.194 0 40 BEAB N=C(c1ccc(N)cc1)c1ccc(N)cc1 1688117 XGDKPTLPDOUVNF-UHFFFAOYSA-N 211.268 2.267 0 40 BEAB O[C@H]1[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCCC1 4094050 JFIGMNBDLSGWHQ-ZOBORPQBSA-N 223.360 2.412 0 40 BEAB COC(=O)C[C@H]1C[C@H](C)[C@@H](OC(C)=O)C1(C)C 4974245 IPUCQFXOIXVTGS-MKPLZMMCSA-N 242.315 2.163 0 40 BEAB Cc1ccnc(NC(=O)C[C@@H]2C=CCC2)n1 32859930 RFRGJRBBNXCTRF-SNVBAGLBSA-N 217.272 2.080 0 40 BEAB CCn1ccc(CNC(=O)c2ccc(C)cc2)n1 2796495 HXBDJTGCIIETBM-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB CC(C)NC(=O)c1cccc2c1NCCC2 50957535 FKTSBYPCUSNGDT-UHFFFAOYSA-N 218.300 2.183 0 40 BEAB CCC[C@H](C)NS(=O)(=O)c1ccc(F)cc1 562740 HMKVNYXOXOEDSM-VIFPVBQESA-N 245.319 2.293 0 40 BEAB CC(C)(C)CC(=O)NCc1cn2ccccc2n1 22024423 JXCLDSNNCPNVPS-UHFFFAOYSA-N 245.326 2.387 0 40 BEAB CN(Cc1ccncc1)C(=O)N1CCCCC1 75572300 AVLVQPKEYQJTFN-UHFFFAOYSA-N 233.315 2.119 0 40 BEAB CN[C@@H](c1ccc(Cl)cc1)c1cnccn1 37658174 OOFGEQUHLWRWCS-LBPRGKRZSA-N 233.702 2.439 0 40 BEAB in-vitro NC(=O)c1ccc(CN2CCCCCC2)cc1 24002391 ROPRECPUXPTTDU-UHFFFAOYSA-N 232.327 2.162 0 40 BEAB Cc1cc(N2CC[C@H](N)C2)c2ccccc2n1 50244110 PJXLBQVFQNTOCW-NSHDSACASA-N 227.311 2.081 0 40 BEAB O=C(O)[C@@H]1CCCCN1Cc1ccc(F)cc1 3754811 WRCCKEVVICUODU-LBPRGKRZSA-N 237.274 2.265 0 40 BEAB in-vitro Cc1cc(C(=O)N2CCCC2)ccc1F 63059872 CLDKJBUXTXUHPI-UHFFFAOYSA-N 207.248 2.370 0 40 BEAB O=C(O)c1cc(-c2ccc(F)cc2F)ncn1 71546919 UCSDZWHRNJQLJC-UHFFFAOYSA-N 236.177 2.120 0 40 BEAB CCc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 9483057 OZEHETYQVUMEEU-UHFFFAOYSA-N 242.278 2.190 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2C[C@H]1CCC2=O 306749591 LVHTVAFZZMRMGC-VHSXEESVSA-N 239.315 2.365 0 40 BEAB CCCCOCc1ccn(CCF)n1 408715465 QIYPOIWXBSSWPG-UHFFFAOYSA-N 200.257 2.169 0 40 BEAB C/C=C\C(=O)N1c2ccccc2NC(=O)C[C@@H]1C 31903344 PBFPNGRDAYNHPS-NWPZZWLHSA-N 244.294 2.326 0 40 BEAB OC/C=C/C(F)(F)C(F)(F)Br 38418043 FYUOQYHROIWCQA-OWOJBTEDSA-N 236.990 2.158 0 40 BEAB CC(=O)Nc1cc(N2CCCC2)c(C)cc1N 216863917 UYNWDHMWYSLLOK-UHFFFAOYSA-N 233.315 2.136 0 40 BEAB O=C1CCc2cc(N3CCCC3)ccc21 39952308 OQFMRDVPJRGLNT-UHFFFAOYSA-N 201.269 2.416 0 40 BEAB CCOC(=O)c1cc2c(OC)cc(OC)cc2[nH]1 34614731 JRXZSKTUWPXDKZ-UHFFFAOYSA-N 249.266 2.362 0 40 BEAB CCOC(=O)c1cc(Br)co1 44200455 AQMPODQTKHURHN-UHFFFAOYSA-N 219.034 2.219 0 40 BEAB Cc1c(F)cccc1C(=O)CCC(=O)O 43214209 DZNCKXZNESNGKK-UHFFFAOYSA-N 210.204 2.182 0 40 BEAB COc1ccccc1NC(=O)[C@@H]1CCCCCN1 80993099 XIAIINJVQDMPDU-LBPRGKRZSA-N 248.326 2.166 0 40 BEAB Cc1nc(Cc2ccc(F)cc2)ncc1C(=O)O 43557934 SKUVGLYCIRSGRV-UHFFFAOYSA-N 246.241 2.213 0 40 BEAB NC(=S)c1ccc(F)c(Br)c1 83360532 LWVZVFOAULOGHD-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB c1cc2occc2c(NC[C@H]2CCCO2)n1 89884772 LLKHHOJUTPJQFH-SECBINFHSA-N 218.256 2.419 0 40 BEAB NCc1cnc(Cl)cc1C(F)(F)F 95762108 IQLQBVURPMAVGN-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB CNC(=S)NCc1csc(C2CCC2)n1 95093885 NCFLJKCBMHWYEM-UHFFFAOYSA-N 241.385 2.005 0 40 BEAB CNC(=O)c1ccc(-n2cccc2)cc1C 95350935 VEIARRZVGSSBSF-UHFFFAOYSA-N 214.268 2.145 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)C1(C)C 95743516 AOJXKOSBUVHAIA-SFYZADRCSA-N 243.303 2.010 0 40 BEAB CC(C)(C)OC(=O)N1NCCc2ccccc21 258095799 XEEZZBQBHOXPAT-UHFFFAOYSA-N 234.299 2.489 0 40 BEAB C[C@H]1[C@H](C)C[C@@H](N)CN1Cc1ccccc1 238854460 NVIRYIHNKWLTFW-MBNYWOFBSA-N 218.344 2.244 0 40 BEAB Cc1ccc(NC(=O)N2CCCC2=O)cc1 5751796 AAMRZPNCZPPISD-UHFFFAOYSA-N 218.256 2.149 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1 16349090 LDVYEDUJMSLZLB-STQMWFEESA-N 233.311 2.028 0 40 BEAB Cc1ncc2cc(Cl)nc(Cl)n12 39629092 LKIMQIMPFVMPKG-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB c1ccc([C@@H]2CCCN2C2CCOCC2)nc1 257229162 FWXTYTRXDOOXHX-AWEZNQCLSA-N 232.327 2.398 0 40 BEAB COC[C@@H](C)Nc1ncnc2ccccc12 37488316 XKVJLGZWMIJBDL-SECBINFHSA-N 217.272 2.077 0 40 BEAB Clc1ccccc1-c1[nH]nc2c1CNCC2 20221831 UUDYSKLVONZSFG-UHFFFAOYSA-N 233.702 2.376 0 40 BEAB CCO[C@H](C)C(=O)N[C@H](C)c1cccs1 40523430 PYCPAPAWSJBDMI-RKDXNWHRSA-N 227.329 2.350 0 40 BEAB CC[C@@H](NCCC(=O)O)c1cccs1 36891870 ZKSLZUYLPJOGPC-MRVPVSSYSA-N 213.302 2.264 0 40 BEAB CCC(=O)Nc1nc2ccc(NC(C)=O)cc2o1 557836 MFTYDZUEDDTYAQ-UHFFFAOYSA-N 247.254 2.135 0 40 BEAB Cc1ccccc1C(=O)NCc1ccncc1 315030 MDZCCUAYVWYPBG-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB Cc1ccc(C)n1NC(=O)c1cccc(N)c1 7468739 FMSSOAGMNWIZIC-UHFFFAOYSA-N 229.283 2.071 0 40 BEAB COc1ccc(Cl)cc1C(=O)NCC1CC1 32906057 GHMBBUYGZCCLSE-UHFFFAOYSA-N 239.702 2.488 0 40 BEAB C[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 59681457 HYTHUSLXQOXIBJ-VHSXEESVSA-N 229.320 2.157 0 40 BEAB in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCCCO)C2 100538650 VBNALKJYFXTXIP-LOWVWBTDSA-N 211.349 2.173 0 40 BEAB CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N 23067643 OTEAAHFWYHMUIL-RWMBFGLXSA-N 205.301 2.296 0 40 BEAB O=C(c1ccco1)N1CCOc2ccccc21 1040416 XUOXOHWEHJSXOU-UHFFFAOYSA-N 229.235 2.319 0 40 BEAB CC(C)N(C(=O)OC(C)(C)C)C1CCNCC1 58040468 XZAWSXHPLCYGEF-UHFFFAOYSA-N 242.363 2.384 0 40 BEAB Brc1ccnc(-c2ccccn2)n1 44117200 WQINVZKQEPMVLU-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB CNCc1cc(Cl)c(OC)cc1OC 62702156 XJHIQZDOSXEUQV-UHFFFAOYSA-N 215.680 2.077 0 40 BEAB CCCNC(=O)CCNc1ccccc1C 58407266 CUOGZKWGDIENOM-UHFFFAOYSA-N 220.316 2.323 0 40 BEAB Cn1c(=N)sc2cc(Br)ccc21 2455276 KOKMNRMHKISQCT-UHFFFAOYSA-N 243.129 2.482 0 40 BEAB CCOC(=O)CNc1cc(C)cc(C)c1 20053451 MPGZFLDWSUVSHU-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB Cc1c(C(=O)O)sc2ncc(C(=O)O)cc12 12810430 FZWOHGUVKJGXSJ-UHFFFAOYSA-N 237.236 2.001 0 40 BEAB Cc1cc(CO)cc(OC(F)(F)F)c1 38529739 JELFBZMXRZYDFP-UHFFFAOYSA-N 206.163 2.386 0 40 BEAB O=C(c1ccc2ccccc2n1)N1CCCC1 17356292 SZCAYWVIHWBKDI-UHFFFAOYSA-N 226.279 2.471 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1 4611331 JJJNJXHDTMQBEK-LLVKDONJSA-N 248.326 2.157 0 40 BEAB c1ccc([C@@H]2CO[C@@]3(CCCNC3)C2)cc1 306125778 DBXZIYYRNBVLBF-KBPBESRZSA-N 217.312 2.313 0 40 BEAB COc1ccc(OC(C)=O)c(Br)c1 28278207 IHRXZSJJLBIBOY-UHFFFAOYSA-N 245.072 2.383 0 40 BEAB CO[C@H](C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 78974517 FOHTXAJZYGDIFL-QJPTWQEYSA-N 235.327 2.330 0 40 BEAB O=C(NCC1CC1)c1ccc(O)c(Cl)c1 19837610 ZTENIVCEKCCZFX-UHFFFAOYSA-N 225.675 2.185 0 40 BEAB C[C@@H](NCCc1ccccc1O)c1nccn1C 97230754 MROLNDRGYCGKCD-LLVKDONJSA-N 245.326 2.019 0 40 BEAB CC(C)C[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 73189959 GKMSKOKQHRLOJO-QWHCGFSZSA-N 249.358 2.339 0 40 BEAB O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1 89794476 QIEGNWXQQIJIHU-TUAOUCFPSA-N 249.310 2.068 0 40 BEAB C[C@@H]1C[C@H](Sc2ccccc2O)C(=O)O1 89920145 GJQSZGMWFDYFGG-XCBNKYQSSA-N 224.281 2.188 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H]2O)C1 306145904 VDXFMZNGCMQHJO-GWCFXTLKSA-N 241.331 2.158 0 40 BEAB C[C@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 36076065 VTVURPHBXUKYSE-VIFPVBQESA-N 239.702 2.201 0 40 BEAB CCOC(=O)[C@H](CC)C(=O)c1ccccc1 2030812 NZRZNJONGRRTNF-LLVKDONJSA-N 220.268 2.459 0 40 BEAB in-vitro Cc1cc(N2CCCCC2)ncc1[C@H](C)O 72223498 BWGYQVJRCPBJOI-NSHDSACASA-N 220.316 2.434 0 40 BEAB CCN1CCC[C@@H]1c1cnc(N)cc1C 72218491 PDRQJDZEHQMEDT-LLVKDONJSA-N 205.305 2.129 0 40 BEAB Cc1cc(OCc2ccccc2)ncc1CN 72223418 DCJAKYNORIQKGY-UHFFFAOYSA-N 228.295 2.428 0 40 BEAB Cc1cc2c(cc1Br)NC(=O)CN2 36427591 GFQWDHHHNGCNOI-UHFFFAOYSA-N 241.088 2.122 0 40 BEAB CCCCOC[C@H](O)CN(C(C)C)C(C)C 32594537 CMMJYMHIMICZME-CYBMUJFWSA-N 231.380 2.283 0 40 BEAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCO1 40458942 FZUCBYZCMUUSHK-QMMMGPOBSA-N 245.200 2.221 0 40 BEAB CN(CC(F)F)C(=O)[C@@H]1Cc2ccccc21 334490800 VMYISIDIBHRUCG-SNVBAGLBSA-N 225.238 2.050 0 40 BEAB CC(C)C(=CCP(=O)(O)O)C(C)C 146867821 QBPVCOJPXHYHJV-UHFFFAOYSA-N 206.222 2.403 0 40 BEAB Cc1cc(NCCc2cccc(O)c2)nc(C)n1 96429291 RLPBPCLCGXLFQP-UHFFFAOYSA-N 243.310 2.454 0 40 BEAB CCOc1cc(CN2CCCC2)ccc1O 98012813 ITQGYIYUVNAWDT-UHFFFAOYSA-N 221.300 2.387 0 40 BEAB COCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 96446371 GGQNZUHWIVWBSJ-RYUDHWBXSA-N 235.327 2.331 0 40 BEAB O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CC=CCC1 97376661 DGZHQZSHZRMEFS-SNVBAGLBSA-N 246.314 2.367 0 40 BEAB C[C@@H]1CC[C@@H]1Cn1cc(Br)c(N)n1 242463778 DLDLHUVIVGWEBV-RNFRBKRXSA-N 244.136 2.274 0 40 BEAB COc1cc(OC)cc(-c2c(C)nn(C)c2O)c1 261506837 BLHLOFAONVXDQB-UHFFFAOYSA-N 248.282 2.118 0 40 BEAB COC[C@H]1CCCN(CCOCC(C)C)C1 225426830 DRXSIQIODUZGEH-ZDUSSCGKSA-N 229.364 2.017 0 40 BEAB Cc1cccc2cc3c(N)nn(C)c3nc12 11727738 QDHCFLHFODTZFX-UHFFFAOYSA-N 212.256 2.012 0 40 BEAB O=C(c1ccc(Cl)cc1)n1ccnc1 13233731 BIXVWOXDISCYRE-UHFFFAOYSA-N 206.632 2.225 0 40 BEAB c1cc(-c2nccc(CN3CCCC3)n2)ccn1 19405946 HFPTYPBAVGFWLM-UHFFFAOYSA-N 240.310 2.134 0 40 BEAB C(=C/c1ccccc1)\CN1CCOCC1 19840760 UDSHBISYNCGDRX-QPJJXVBHSA-N 203.285 2.032 0 40 BEAB CC(C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 1358483 YXBQSYDAEUBBBH-UHFFFAOYSA-N 247.298 2.025 0 40 BEAB COc1ccc(NC(=O)N2CCC(C)CC2)cn1 40487639 HJFBXZOQQIREKF-UHFFFAOYSA-N 249.314 2.354 0 40 BEAB CC(C)c1nnc(NCC2(C)CCOCC2)o1 158675263 GERJRPRGMJUZAY-UHFFFAOYSA-N 239.319 2.422 0 40 BEAB Cn1nnnc1S[C@@H]1CCCc2ccccc21 40114176 RKTLIHCAMPGNCJ-LLVKDONJSA-N 246.339 2.380 0 40 BEAB CCn1cc(COc2ccccc2N)c(C)n1 20351877 LNDKUKFZFRYJIR-UHFFFAOYSA-N 231.299 2.373 0 40 BEAB O=C(NCc1cccs1)c1ccccc1O 139676 XTDYYXLPYSQGGZ-UHFFFAOYSA-N 233.292 2.384 0 40 BEAB CCCn1c(NC[C@H](C)O)nc2ccccc21 513473 QNRWMNQRVGSCFF-JTQLQIEISA-N 233.315 2.239 0 40 BEAB Clc1ccc2c(c1)nnn2OC1CCCC1 1566393 HZPKEEDSMBULBU-UHFFFAOYSA-N 237.690 2.456 0 40 BEAB C[C@H]1C[C@H](C)C(=O)N(c2ccccc2)C1=O 2187253 MOBMIENCLDTUDW-UWVGGRQHSA-N 217.268 2.222 0 40 BEAB Cn1cc(Cl)c(C(=O)NC2CCCCC2)n1 2487640 WRGUJJZNPRCQIB-UHFFFAOYSA-N 241.722 2.136 0 40 BEAB CCOCCCN[C@@H](C)c1ccccn1 4245207 ZOGYYTCOGROGAE-NSHDSACASA-N 208.305 2.159 0 40 BEAB CCS(=O)(=O)Nc1cc(C)cc(C)c1 5392653 CQMFTXJWCBTZRE-UHFFFAOYSA-N 213.302 2.065 0 40 BEAB CC(C)NC(=S)NCc1ccccc1 6538553 IFPFRGOIUODXNB-UHFFFAOYSA-N 208.330 2.059 0 40 BEAB CCOc1ccccc1CCCNC(C)=O 10110843 KPBOYYGCHFUTHN-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB CCOc1nc(N2CCCCC2)sc1C=O 14000129 JSGYUBJDIXJKEA-UHFFFAOYSA-N 240.328 2.345 0 40 BEAB Cc1cc(CO[C@@H](CN)Cc2ccccc2)no1 14628653 ORRSMVQSJREEDO-CQSZACIVSA-N 246.310 2.070 0 40 BEAB O=C(NCc1ccco1)C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 17781682 DOHVNPVMJWEUJI-ZSUSHSBXSA-N 231.295 2.188 0 40 BEAB CCN1CCC[C@@H]1Cn1c(C)cc(C=O)c1C 19514874 BPXZUWKZDAPQMP-CQSZACIVSA-N 234.343 2.402 0 40 BEAB in-vitro COC(=O)[C@@H](N)c1cccc2ccccc12 20157509 LTASPYVMQCESLM-LBPRGKRZSA-N 215.252 2.013 0 40 BEAB CCCCCNC(=O)c1ccccc1N 20192919 YREKETPBJSEWCJ-UHFFFAOYSA-N 206.289 2.189 0 40 BEAB COc1cc(CNc2cnn(C)c2C)ccc1O 20352808 OWKXWRKXTAKZED-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB Nc1nc2c(OC(F)F)cccc2s1 20432690 JUHFOUUZNXNWQE-UHFFFAOYSA-N 216.212 2.480 0 40 BEAB in-vitro Cc1noc(CN2CCCc3cc(F)ccc32)n1 26624990 FJLJWKUBFHYTDS-UHFFFAOYSA-N 247.273 2.470 0 40 BEAB Cc1nc(Cc2ccccn2)sc1C(=O)O 32627378 ZUYWDWYKNJLVOJ-UHFFFAOYSA-N 234.280 2.136 0 40 BEAB in-vitro CC(C)CCCN[C@H](C(N)=O)c1ccccc1 32808975 RQEJDCRBRNRNGL-ZDUSSCGKSA-N 234.343 2.239 0 40 BEAB Cc1cc(C)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 32843920 GTNNAWFIMMUUSZ-QWRGUYRKSA-N 249.358 2.004 0 40 BEAB C[C@H](O)c1cc(Br)cnc1F 32914802 WWCXWHCEIGTHSO-BYPYZUCNSA-N 220.041 2.037 0 40 BEAB COC(=O)c1ccc2cccc(OC)c2n1 39208697 YNRMQTUOOLBRHW-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB O[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 40460801 GTULZLWTOQSNHQ-LLVKDONJSA-N 243.709 2.436 0 40 BEAB CCc1ccc(NC(=O)c2cnns2)cc1 40554580 SJLZCKJSDVBZLI-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB CCOC(=O)c1cc(-c2cccc(O)c2)on1 45299034 BJTUFTHPXQPNRJ-UHFFFAOYSA-N 233.223 2.224 0 40 BEAB CCCS(=O)(=O)Nc1cccc(C)c1 45929341 PKMLRDCHEWIVCM-UHFFFAOYSA-N 213.302 2.147 0 40 BEAB CCOc1ccc(SCC(=O)N(C)C)cc1 47339949 ZYKGZRCAUWQPBX-UHFFFAOYSA-N 239.340 2.266 0 40 BEAB COc1ccc(CC(C)=O)c(N)c1Cl 54967531 OXHQGTCOXWIDNQ-UHFFFAOYSA-N 213.664 2.062 0 40 BEAB NNc1cc(Br)ccc1Cl 61691106 ATAKTPBQJCJKCX-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB CCN(C(=O)COCc1ccccc1)C1CC1 69420278 GYDAKAXZMNHLCP-UHFFFAOYSA-N 233.311 2.214 0 40 BEAB CC[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 72208634 XSXPDTDOTYDGDD-NXEZZACHSA-N 229.320 2.157 0 40 BEAB N=C(N)NCC(c1ccccc1)c1ccccc1 73757011 LCPOBCNTHCBIAR-UHFFFAOYSA-N 239.322 2.302 0 40 BEAB Cc1nc([C@H]2CCCO2)sc1C(=O)O 83347421 QMUSLNJQXVIBGC-ZCFIWIBFSA-N 213.258 2.001 0 40 BEAB in-vitro COc1ccc(CNc2nncs2)cc1F 83366831 MXWYUQPNBBPYRW-UHFFFAOYSA-N 239.275 2.298 0 40 BEAB Cc1cccc2c1CCN2C(=O)[C@@H]1CCCOC1 89688966 ZCHXRZMFKZPDSA-GFCCVEGCSA-N 245.322 2.311 0 40 BEAB C[C@H](c1cccnc1)N1CCN2CCCC[C@@H]2C1 93939084 QWPZASBYBRWCFO-UKRRQHHQSA-N 245.370 2.313 0 40 BEAB NC1(c2cncc(C(F)(F)F)c2)CC1 95094336 RCSBKWBGIZIFBC-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CC(C)Cc1nc([C@@H](N)c2ccccc2)n[nH]1 95533473 ANOIEMPWNNMUSG-LBPRGKRZSA-N 230.315 2.051 0 40 BEAB CCCOc1ccc(CCC(=O)NC)cc1 96430547 OPUORPVSBPGCEW-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB O=C(OCCCF)c1ccc2c(c1)COCO2 96474920 XTMLSSRZUFVHMN-UHFFFAOYSA-N 240.230 2.070 0 40 BEAB CN(CC(F)(F)F)C(=O)CCCn1cccc1 96486455 IIPYAIMPAZUDII-UHFFFAOYSA-N 248.248 2.289 0 40 BEAB O[C@@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)n1 97104630 FTIWTPOIIIKYGM-HTQZYQBOSA-N 246.232 2.426 0 40 BEAB COC(=O)c1ccc2nc(C(C)(C)C)cn2c1 98210467 QVMQFTWQKYSLPK-UHFFFAOYSA-N 232.283 2.418 0 40 BEAB Cc1nnc(S[C@@H]2C(=O)[C@H]3CC[C@H]2C3)s1 100970808 NHZCQMGMHKJAIC-ZKWXMUAHSA-N 240.353 2.306 0 40 BEAB CC(=O)NCCOc1ccccc1C(C)C 110508226 DQMZTFKKXLZPCF-UHFFFAOYSA-N 221.300 2.325 0 40 BEAB CCN1C(=O)CCc2cc(S)ccc21 139955854 BSSIGWAZZYUCOF-UHFFFAOYSA-N 207.298 2.274 0 40 BEAB CO[C@H](Cc1cccc2ccccc12)C(=O)O 201661766 KMOQVSHARSIVDW-CYBMUJFWSA-N 230.263 2.482 0 40 BEAB O=C1CCCc2cc(NC(=O)C3CC3)ccc2N1 227169534 OGWGDEIVRMNOBI-UHFFFAOYSA-N 244.294 2.310 0 40 BEAB CCOC(=O)/C=C/c1cnc2sc(C)cn12 256049660 AVFOTEQDPNWVFT-SNAWJCMRSA-N 236.296 2.281 0 40 BEAB Cc1cc(N)c(-c2ccc(C(N)=O)o2)cc1C 256050398 DVVGZINMVSKXKH-UHFFFAOYSA-N 230.267 2.245 0 40 BEAB CCN[C@@H]1CCOC2(CCN(C(C)C)CC2)C1 257258154 KSORXCBAQRBFGZ-CYBMUJFWSA-N 240.391 2.018 0 40 BEAB Nc1ccc2ncc(OCC(F)F)cc2c1 685937564 KJPNWSFPCBKUEU-UHFFFAOYSA-N 224.210 2.461 0 40 BEAB C[C@]1(O)CC[C@H](NC(=O)OCc2ccccc2)C1 1857794759 QVJNWIGBKYIEKS-JSGCOSHPSA-N 249.310 2.216 0 40 BEAB O=C(c1cccc(F)c1)N1CCCCC1 573962 CAPUTCOMJDOLLP-UHFFFAOYSA-N 207.248 2.452 0 40 BEAB CC[C@]1(C(=O)O)O[C@]1(C)c1cccs1 1675751 ORVSBSUQWSVTII-NXEZZACHSA-N 212.270 2.227 0 40 BEAB CCOC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 3112113 DUYTUNJNNLBNMT-GFCCVEGCSA-N 249.310 2.004 0 40 BEAB C[n+]1ccccc1-c1nc2ccccc2[nH]1 5401061 MJACORQXBMRNRA-UHFFFAOYSA-O 210.260 2.054 0 40 BEAB COc1ccc(C[C@@H]2CCCN2)cc1C 11630857 GJSBITPPEXYQRV-LBPRGKRZSA-N 205.301 2.298 0 40 BEAB C[C@H](C(=O)Nc1ccccc1)N1CCCC1 12976162 CNGDDPOWECEJNI-LLVKDONJSA-N 218.300 2.109 0 40 BEAB C[C@@H](NN)c1ccccc1C(F)(F)F 19394565 ARUIYABJRXPFSJ-ZCFIWIBFSA-N 204.195 2.230 0 40 BEAB CCOC(=O)CCNCCC1=CCCCC1 19736912 DJXYQTBGLYAICF-UHFFFAOYSA-N 225.332 2.420 0 40 BEAB CC(C)Oc1ccc(Cl)c(C(=O)O)n1 19965809 LKNLOUOTPLJHRS-UHFFFAOYSA-N 215.636 2.220 0 40 BEAB in-vitro Cc1ccc(OCC(=O)O)c2c1[C@H](C)CC2=O 20281015 FCFFTPZBZQUDFH-MRVPVSSYSA-N 234.251 2.148 0 40 BEAB CNCc1oc(-c2ccccc2)nc1C 26340297 XCBYKJIAOCVNGY-UHFFFAOYSA-N 202.257 2.369 0 40 BEAB in-vitro CC1(C)COCN1COC1CCCCC1 31760775 RVHQEWPGKMOMPN-UHFFFAOYSA-N 213.321 2.362 0 40 BEAB in-vitro COc1cc2cc[nH]c2c(OC)c1OC 34364101 IRNYYMPRGUFZGX-UHFFFAOYSA-N 207.229 2.194 0 40 BEAB COc1ccc(CCC(=O)Cn2ccnc2)cc1 39302497 MQWZJAHNKWSUQQ-UHFFFAOYSA-N 244.294 2.094 0 40 BEAB Cc1nc(NC(=O)COCC2CC2)sc1C 40108662 GEBROYXAFGNPLN-UHFFFAOYSA-N 240.328 2.125 0 40 BEAB C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 40479461 ZQMFYXFYNGZBDL-SNVBAGLBSA-N 209.264 2.046 0 40 BEAB Cc1ccc(NC(=O)N2CCOC[C@H]2C)cc1 40505494 LSLGZGMIMPGLAS-LLVKDONJSA-N 234.299 2.248 0 40 BEAB Nc1cc(C2CC2)nn1-c1cccc(F)c1 41229643 MGLFBTYKOZWBNT-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB CC[C@@H](C)NC(=O)NCc1csc(C)n1 42843201 VARGRCPUXAUTQZ-SSDOTTSWSA-N 227.333 2.049 0 40 BEAB C[C@H](c1ccc(F)cc1)N1CCC(O)CC1 43220468 DTPQDUOJWMJUKR-SNVBAGLBSA-N 223.291 2.343 0 40 BEAB CCCNC(=O)Nc1c(F)cccc1F 43468017 XQFWVDOVVPSHHF-UHFFFAOYSA-N 214.215 2.496 0 40 BEAB Cc1nc(CNC(=O)Nc2ccncc2)cs1 45344352 JDUMONLIXGBBEM-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB CCCS(=O)(=O)Nc1ccc(C)cc1 45929353 LYKAXQRZEBNCRM-UHFFFAOYSA-N 213.302 2.147 0 40 BEAB C[C@H]1C[C@H](C)CCN1C(=O)CC1CCNCC1 51733048 GRJZMVUAYWFWBV-NEPJUHHUSA-N 238.375 2.023 0 40 BEAB Clc1cccc(CNC2CCNCC2)c1 53148313 NEYRJXZGVYSDKQ-UHFFFAOYSA-N 224.735 2.182 0 40 BEAB CO[C@@H](C)CC(=O)Nc1cc(C(C)(C)C)n[nH]1 58330924 HNBGIPHKLUNZIG-QMMMGPOBSA-N 239.319 2.071 0 40 BEAB COc1cccc(N(C)C(=O)c2cscn2)c1 62663647 COAUHYDSNDOUSN-UHFFFAOYSA-N 248.307 2.428 0 40 BEAB O=C(O)C1(c2cc(C3CC3)on2)CCCC1 72220627 VWIUKKZVUKFEGM-UHFFFAOYSA-N 221.256 2.448 0 40 BEAB COC(=O)c1cc2cc(O)ccc2s1 75615949 SVTGSWWZGBGGJZ-UHFFFAOYSA-N 208.238 2.394 0 40 BEAB O=C(O)C[C@@H](c1ccc(O)cc1)C1CC1 84383323 OWXNQQUWPGXPMS-LLVKDONJSA-N 206.241 2.361 0 40 BEAB in-vitro CC(C)=CC(=O)N[C@H](C)COCC(C)C 84544398 APUJJYSDBJQWRY-LLVKDONJSA-N 213.321 2.130 0 40 BEAB CC1CC(COc2ccc(C(=O)O)cn2)C1 85391041 WYVXQSAUFBCIBZ-UHFFFAOYSA-N 221.256 2.205 0 40 BEAB CC(C)c1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)O)cc1 85394535 CTTGIKLEURGRPQ-AAEUAGOBSA-N 248.278 2.499 0 40 BEAB NC1(c2ccncc2C(F)(F)F)CC1 95094339 CLHZJJRAZLTUJM-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CCn1cc(C(=O)Nc2ccc(C)c(O)c2)cn1 95418182 MHBQQBVBXIEJJZ-UHFFFAOYSA-N 245.282 2.169 0 40 BEAB CCOc1ccc(CN[C@@H](C)c2nc[nH]n2)cc1 95455311 CPKYWUCPKARDLI-JTQLQIEISA-N 246.314 2.054 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=O)N1CCCO1 96501720 LCHNEYMYERFGRS-UWVGGRQHSA-N 212.293 2.007 0 40 BEAB O=C(C[C@@H]1C=CCC1)NC1CCC(CO)CC1 97371189 GPZJVQAJCNXXLI-PNESKVBLSA-N 237.343 2.010 0 40 BEAB CCn1c(C(N)=O)cc2cc(C)ccc21 98086363 SOYYBCVWIRNMOI-UHFFFAOYSA-N 202.257 2.069 0 40 BEAB NC(=O)C(=S)Nc1cc(Cl)ccc1Cl 98175485 IACLSHWAPKCHPY-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB c1ccc2c(c1)ncn2C1C[C@@H]2CC[C@@H](C1)N2 100014239 OGOZBBGHZSRLBJ-QWRGUYRKSA-N 227.311 2.492 0 40 BEAB CC(C)C[C@H](C)NC(=O)c1cc(O)cc(O)c1 152855359 AKBCVYGAELOFNR-VIFPVBQESA-N 237.299 2.262 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1F 218848976 APKZMGFTMSSXLC-CHWSQXEVSA-N 238.281 2.296 0 40 BEAB CCNC(=O)NCc1ccc(-c2ccco2)nc1 225753001 FRLMLKVDMRWOQI-UHFFFAOYSA-N 245.282 2.161 0 40 BEAB O=C(O)c1cc(F)c(Cl)c(F)c1F 259307065 CZAXNGWYBRJLRB-UHFFFAOYSA-N 210.538 2.456 0 40 BEAB Cc1ccc(CC[C@@H](C)NC(=O)c2cc[nH]n2)o1 390834216 UTLZGTHLEUTRSJ-SECBINFHSA-N 247.298 2.062 0 40 BEAB N#Cc1ccc(=Nc2ccc(F)c(Cl)c2)[nH]n1 397055854 XGRZIIFRIYDXIQ-UHFFFAOYSA-N 248.648 2.306 0 40 BEAB O=C(Cc1ccsc1)N1Cc2cccnc2C1 549731106 PLSHOYSPDZXVFW-UHFFFAOYSA-N 244.319 2.228 0 40 BEAB CCOc1nc2c(OC)cccc2cc1C(=O)O 685937371 OBFJUOBIWMTVJN-UHFFFAOYSA-N 247.250 2.340 0 40 BEAB Cn1cc(Nc2nccs2)c(C2CC2)n1 893929755 LDVPEPMKAHEDSH-UHFFFAOYSA-N 220.301 2.498 0 40 BEAB CCOCC(=O)N1CCC(=C2CCC2)CC1 1775985871 FFYCMOMWHFABQH-UHFFFAOYSA-N 223.316 2.126 0 40 BEAB O=c1[nH]c(=S)c2c(n1Cc1ccco1)CCC2 32922 KYIOHABDEFMALP-UHFFFAOYSA-N 248.307 2.036 0 40 BEAB O=C(O)Cc1c[nH]c2c(F)c(F)c(F)c(F)c12 154254 ULAKIDXRHVHYMK-UHFFFAOYSA-N 247.147 2.351 0 40 BEAB COc1ccc(C(=N)N)c2ccccc12 1442760 UHHWXSJEONXKQT-UHFFFAOYSA-N 200.241 2.132 0 40 BEAB C1CC[C@H](OCCO[C@H]2CCCCO2)OC1 1632769 YUAPGYIENVWPIK-RYUDHWBXSA-N 230.304 2.073 0 40 BEAB CCC[C@H]([C@@H](CC)CN(C)C)N(C)C 1662275 SJLKSOZBYOLBNB-NWDGAFQWSA-N 200.370 2.305 0 40 BEAB O=C(Nc1csnn1)OCc1ccccc1 1680564 JCWFPLYWTWIKBM-UHFFFAOYSA-N 235.268 2.287 0 40 BEAB CCOC(=O)Cn1nc(C(F)F)cc1C1CC1 2534336 MMXUNPIBPOFYMN-UHFFFAOYSA-N 244.241 2.261 0 40 BEAB O=S(=O)(c1ccc(F)cc1)C(F)(F)F 3172375 GYGWKIHINPEOAM-UHFFFAOYSA-N 228.166 2.119 0 40 BEAB in-vitro CC1CCN(c2nsnc2Cl)CC1 3882575 BTEUUVNPSMHDEN-UHFFFAOYSA-N 217.725 2.428 0 40 BEAB Cc1ccccc1-n1nc(C)c(CC(=O)O)c1C 4985169 NRENHSAYZLBLGR-UHFFFAOYSA-N 244.294 2.425 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1cc(C)ccc1C 5120486 ZMCWPPSBNAFYHL-LLVKDONJSA-N 241.356 2.380 0 40 BEAB CC(C)NC(=O)COc1ccc(Cl)cc1 5284720 IYWRAVCCXIAPBH-UHFFFAOYSA-N 227.691 2.243 0 40 BEAB CCCNC(=O)COc1ccc(Cl)cc1 5430914 AGYXOHZBTYFUAG-UHFFFAOYSA-N 227.691 2.245 0 40 BEAB CCc1c(C)[nH]c2ccc(OC)cc2c1=O 8740355 WEJBGCJOPKKZQT-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB biogenic CCN1C(=O)S[C@@H](Nc2ccccc2)C1=O 8794023 VYZOGGLDVOBBOR-SECBINFHSA-N 236.296 2.140 0 40 BEAB Cc1nnc2c3ccccc3nc(Cl)n12 9879784 NUKOIBIDRVCWEU-UHFFFAOYSA-N 218.647 2.239 0 40 BEAB CCn1cnc2c(NC3CCCC3)ncnc21 12405851 CDVHQRUOORNLKE-UHFFFAOYSA-N 231.303 2.201 0 40 BEAB in-vivo C[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 12982630 SLZSDRMJALYSCC-TZMCWYRMSA-N 219.328 2.452 0 40 BEAB CC(=O)COC(=O)c1cc(C)nc2ccccc12 13609465 JEFQERHSWRRULF-UHFFFAOYSA-N 243.262 2.289 0 40 BEAB Cc1cccc([C@@H](C(=O)O)N2CCCC2)c1 16745288 YXYDVDIAHHXZKT-LBPRGKRZSA-N 219.284 2.217 0 40 BEAB O=C(O)C(=C/C=C\C=C/c1ccccc1)C(=O)O 17156632 BDMPHXNMJHDACV-HHWCOPEFSA-N 244.246 2.352 0 40 BEAB CCC[C@H](C)CNC[C@H]1CCCN1CC 20091980 VLHUPRHZIXLLKF-QWHCGFSZSA-N 212.381 2.497 0 40 BEAB CCCC[C@H](CC)C(=O)N1CCCNCC1 20481614 VGDCTWFMINIRDW-LBPRGKRZSA-N 226.364 2.025 0 40 BEAB CCOCCCn1c(N)nc2ccccc21 20586101 SKPQUWMXHZICPQ-UHFFFAOYSA-N 219.288 2.045 0 40 BEAB in-vitro Cc1ccc([C@@H](N)Cn2ccnc2)c(C)c1 23068834 VUMKZWMTVQZXOG-ZDUSSCGKSA-N 215.300 2.200 0 40 BEAB CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 23182071 RKEGHIMCSIDPJG-LLVKDONJSA-N 243.310 2.289 0 40 BEAB C[C@@H](NC(=O)C1CCOCC1)c1cccs1 23271777 XMWUGZGMVPRVIJ-SECBINFHSA-N 239.340 2.352 0 40 BEAB Cc1c(C(F)(F)F)nn(-c2ccccn2)c1N 26512273 RVAPJCCQAZFNMK-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB Cc1ccsc1CNC(=O)c1ccccn1 29235407 RXIUWMNUJHAXRN-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)C 30872587 ANZITFBUGWRYBN-LLVKDONJSA-N 225.263 2.071 0 40 BEAB CN(Cc1cccc(F)c1)C(=O)c1ccccn1 33000186 RKDCFDFIWKEWLY-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB O=C1CCC[C@]2(c3ccccc3)NCCCCN12 35572429 OWXBAYLITTYOKA-HNNXBMFYSA-N 244.338 2.235 0 40 BEAB Nc1cccc2c1CCN(CC1CC1)C2 38032722 JDLGESAVYVYTLO-UHFFFAOYSA-N 202.301 2.037 0 40 BEAB NCCN(Cc1ccccc1)c1nccs1 38033131 AMUZCZZXOFCAQZ-UHFFFAOYSA-N 233.340 2.108 0 40 BEAB CC[C@@]1(Cl)C(=O)c2cccc3c2N(CC3)C1=O 39123875 ATWTZIRCPQDPDO-CYBMUJFWSA-N 249.697 2.160 0 40 BEAB C[C@@H](Sc1nnnn1C)c1ccc(F)cc1 40456837 RUZIYBWGYVAJQX-SSDOTTSWSA-N 238.291 2.203 0 40 BEAB Cc1cc(N)cc(Br)c1O 40538086 SEIWSPJSJQAVBK-UHFFFAOYSA-N 202.051 2.045 0 40 BEAB CCCNC(=O)CCn1ncc2c(C)cccc21 40758227 LFNZXTMHAPAFFU-UHFFFAOYSA-N 245.326 2.261 0 40 BEAB CCC(=O)N1CCO[C@H](c2ccc(C)cc2)C1 41171059 MHRGGFFMYVLARX-ZDUSSCGKSA-N 233.311 2.305 0 40 BEAB C[C@@H](c1ccccc1)N1CCNC[C@H]1C 41213211 OPHHITNORRLRPQ-NEPJUHHUSA-N 204.317 2.041 0 40 BEAB Cn1nc(C(=O)O)cc1C1CCCCC1 41217414 OIIMFJCGUXKNKA-UHFFFAOYSA-N 208.261 2.166 0 40 BEAB Cc1cc(NC(=O)Cc2ccccc2F)[nH]n1 48602453 LUSILUDRIAISMC-UHFFFAOYSA-N 233.246 2.038 0 40 BEAB CC(C)(C)n1cc(CO)c(C(F)(F)F)n1 57354236 ZTTBMTMGEVIIJX-UHFFFAOYSA-N 222.210 2.149 0 40 BEAB COc1cc(OC)c2nc(OC)cc(OC)c2c1 68741486 NRHNHQXHQWUQLV-UHFFFAOYSA-N 249.266 2.269 0 40 BEAB CCNC(=O)NCC1(c2ccccc2OC)CC1 69569609 YNODKDLLAMEDHU-UHFFFAOYSA-N 248.326 2.046 0 40 BEAB CC(C)=CCN1CCn2c(nnc2C(C)C)C1 69950686 CHLDQLRCOHTKIO-UHFFFAOYSA-N 234.347 2.183 0 40 BEAB Nc1cccc(NC(=O)OCc2ccccc2)n1 71261569 ZFZWMCYBUKTLSR-UHFFFAOYSA-N 243.266 2.413 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cc(C)ccn1 72211219 OJNAJTROJLNBFC-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB CNc1ncc([C@@H]2CCCCN2C=O)cc1C 72219012 LAARERSOFVETOS-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB CC(C)CC(=O)N1CCC[C@H](c2cnccn2)C1 72361267 OICTYNVAMMFOMU-LBPRGKRZSA-N 247.342 2.229 0 40 BEAB COc1cc2ncc(C=O)cc2c(OC)c1OC 82310807 RNQPPEGDYNRXHG-UHFFFAOYSA-N 247.250 2.073 0 40 BEAB Cc1cc(C(N)=S)ccc1Br 83357116 CXFZNWLAZQWBFI-UHFFFAOYSA-N 230.130 2.392 0 40 BEAB Cc1cc(CNc2ccccc2F)n(C)n1 84243698 NTSQFBRVHOHKHX-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB C[C@@H](O)C1(c2ccc(N(C)C)cc2)CC1 84369537 IKSCZMLRIJYAMW-SNVBAGLBSA-N 205.301 2.165 0 40 BEAB O=C(O)[C@@H]1CCCCN1c1ccc(F)cc1 84497291 PUPGAKPDIOQNNZ-NSHDSACASA-N 223.247 2.269 0 40 BEAB CC(C)c1noc(N2C[C@H]3CCC[C@@H]3C2)n1 89893648 IRMPPCMVYNSYQA-NXEZZACHSA-N 221.304 2.429 0 40 BEAB Brc1cnc2cc(C3CC3)nn2c1 91691261 YORPHEWSLYUUHI-UHFFFAOYSA-N 238.088 2.369 0 40 BEAB CC(=O)N1CCc2c(Br)cccc21 95929564 SQTJOHUYRUNCDT-UHFFFAOYSA-N 240.100 2.358 0 40 BEAB C[C@@H]1SCCN(C(N)=O)[C@@H]1c1ccccc1 95960288 VQTPZQUOSPWKSB-ONGXEEELSA-N 236.340 2.244 0 40 BEAB CC(=O)NCCCSc1ccccc1O 96447722 RPJKFJSQMPEGKB-UHFFFAOYSA-N 225.313 2.011 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC[C@H](N)C1 97092394 QWJJPNGPTIXPLX-RTXFEEFZSA-N 244.338 2.092 0 40 BEAB COC[C@@H](C)Nc1cccc(-c2ncon2)c1 97095666 XURCRFBKYFIKSZ-SECBINFHSA-N 233.271 2.183 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(=O)C2 100002518 MENILFUADYEXNU-IUCAKERBSA-N 225.288 2.117 0 40 BEAB in-vitro COC(=O)c1cc(F)cc(Br)c1O 169796179 QFZMATCRZBZHSL-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB C/C(=C\C(=O)N1CCC[C@H]1CO)c1ccccc1 179185663 GTEKTSDWYBDPNM-WONIAPNHSA-N 245.322 2.073 0 40 BEAB CCN(c1cc(C)ccc1OC)[C@@H](C)C(=O)O 225001449 VPWKQZQLBONJHX-JTQLQIEISA-N 237.299 2.303 0 40 BEAB CCOc1nc2cccc(OC)c2cc1C(=O)O 685936920 FPPOUAVOPHKSAS-UHFFFAOYSA-N 247.250 2.340 0 40 BEAB C[C@@H](C(=O)O)[C@@]1(O)CCCCc2ccccc21 1594150 VYWMGWNCUHHHEM-HZMBPMFUSA-N 234.295 2.321 0 40 BEAB COc1ccc(OC)c(CN2CCCC2)c1 4690866 HKPCQHIUNCAIED-UHFFFAOYSA-N 221.300 2.300 0 40 BEAB c1ccc(C2=NCCNN2c2ccccc2)cc1 6222855 CBBPTRHXIOXRMP-UHFFFAOYSA-N 237.306 2.458 0 40 BEAB O=C(NCC(F)(F)F)c1ccc2c(c1)CCC2 7990275 DBZURJJHDJAYST-UHFFFAOYSA-N 243.228 2.467 0 40 BEAB COC(=O)c1cc2cc(OC)ccc2nc1C 12916932 PWFFXADHZQOAON-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB Cc1nnc2ccc(Br)cc2n1 16363325 FJLLSGZFVXPZNQ-UHFFFAOYSA-N 224.061 2.096 0 40 BEAB CCNCCCN[C@@H](C)c1ccccc1 19736956 KWHLLNPMYLJHQG-LBPRGKRZSA-N 206.333 2.337 0 40 BEAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)C 19934286 MCSWKNQLWIQRAW-LLVKDONJSA-N 221.300 2.241 0 40 BEAB COC(=O)/C=C(\C)Nc1ccc(OC)cc1 20153992 GRBMOJBEAKIXCD-CMDGGOBGSA-N 221.256 2.184 0 40 BEAB Cc1n[nH]c(SCc2cccc(C(=O)O)c2)n1 20394690 FIPGENVYDMWKPW-UHFFFAOYSA-N 249.295 2.104 0 40 BEAB COc1ccccc1C1(C(=O)O)CCC1 20429453 FANXELKZLGBJPO-UHFFFAOYSA-N 206.241 2.202 0 40 BEAB in-vitro CC(C)NC(=O)NCCSc1ccccc1 32862584 NZJLUFZCNCPLPL-UHFFFAOYSA-N 238.356 2.486 0 40 BEAB Cc1n[nH]c(C)c1CNCC1CCCC1 36864841 XGLQVPNHQIEQJV-UHFFFAOYSA-N 207.321 2.306 0 40 BEAB CN[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 37181003 GWDRVMZGPSUTQH-QMMMGPOBSA-N 234.082 2.339 0 40 BEAB biogenic,in-vitro O=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 39247174 HIRBHZHZPSHGQK-NTZNESFSSA-N 234.320 2.425 0 40 BEAB COC(=O)c1snc(-c2cccc(C)c2)c1N 39387168 OGGKUYXERFTDKG-UHFFFAOYSA-N 248.307 2.487 0 40 BEAB CCCC[C@H](CC)CNC(=O)CNC1CC1 40420337 AEHONAGTEZYVND-NSHDSACASA-N 226.364 2.071 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCCC[C@H]1C 40521063 PLLGXJQJNLAPSY-NEPJUHHUSA-N 227.348 2.449 0 40 BEAB N[C@@H]1CCCN(c2ccnc3ccccc23)C1 41721471 BTTMZGGQBKPHGA-LLVKDONJSA-N 227.311 2.162 0 40 BEAB O=Cc1cc(Cl)cc(Cl)c1OCC(=O)O 42355290 OVOCPGBXSHLKPA-UHFFFAOYSA-N 249.049 2.269 0 40 BEAB Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)O)c1 49258551 LFCZHHLXSJFIIM-HWPZZCPQSA-N 240.324 2.025 0 40 BEAB COCCN(C)[C@@H](C)c1ccc(F)cc1 53422701 GDCQELPCBYSPGH-JTQLQIEISA-N 211.280 2.465 0 40 BEAB CC(C)(C(=O)O)c1ccc(F)cc1F 55237960 OWPQMQYTPNHEOH-UHFFFAOYSA-N 200.184 2.327 0 40 BEAB CCNc1ncc(CNCc2cccs2)cn1 62717529 BDTJQPZWUAZNSU-UHFFFAOYSA-N 248.355 2.260 0 40 BEAB Cc1n[nH]c(C2CCCCC2)c1C(=O)O 66134442 LRRZPMQJOXQOQF-UHFFFAOYSA-N 208.261 2.464 0 40 BEAB C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1N 68593022 JZDOXTQRTHHGOG-BZPMIXESSA-N 218.344 2.244 0 40 BEAB CC(C)=CCN1CCC[C@H]1Cn1nc(C)nc1C 69740981 AUWQCRPGELLNRC-AWEZNQCLSA-N 248.374 2.326 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1 70176209 CXDLKTMHAJWXGV-TZMCWYRMSA-N 246.354 2.194 0 40 BEAB C[C@@H](CN(C(=O)c1ccccc1)C1CC1)C(=O)O 71731004 FEKORTYTHATJSW-JTQLQIEISA-N 247.294 2.012 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)[C@H]1CCCCN1 72208310 AVJWUBUGVYRDJL-QWHCGFSZSA-N 233.311 2.387 0 40 BEAB Cc1cccc(CN2CCC[C@H]2c2cc[nH]n2)n1 72361414 DXMNEXOODAGMCO-AWEZNQCLSA-N 242.326 2.450 0 40 BEAB CCOC(=O)c1c(C)nn(CC)c1Cl 76872106 GTNOHTLOYWECHU-UHFFFAOYSA-N 216.668 2.042 0 40 BEAB c1ccc(CN(C2CC2)[C@@H]2CCCNC2)cc1 79437996 MQWGGUMLYJKQFK-OAHLLOKOSA-N 230.355 2.403 0 40 BEAB Fc1cccc(-c2nc(-c3cnccn3)no2)c1 84512239 HZCQYOFQGBUUME-UHFFFAOYSA-N 242.213 2.333 0 40 BEAB O=C(c1cc(F)cc(F)c1)c1ncco1 85651173 UHAJIVGLVWBQGR-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB COC[C@@H](NC[C@@H]1CCCS1)C(C)C 87668207 PTMINOOBNNPDIH-WDEREUQCSA-N 217.378 2.143 0 40 BEAB CCOC(=O)c1c[nH]c2c(O)cccc12 89204159 TWSDFCWXKNJLQC-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB C[C@H]1C[C@@H](N[C@H]2CCC[C@@H](C)C2)CN1C 89927287 IAVFJLYQOSGXDO-MROQNXINSA-N 210.365 2.247 0 40 BEAB CCOC(=O)c1ccc(F)c(F)c1C 95916011 SOYVWKRBDKLWIE-UHFFFAOYSA-N 200.184 2.450 0 40 BEAB CNC(=O)C1(c2cccc(OC)c2)CCCC1 98009556 PSERQAHLIATWOB-UHFFFAOYSA-N 233.311 2.253 0 40 BEAB CC(C)C[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 143198006 FSXUSDAPZUNAFB-GHMZBOCLSA-N 243.347 2.403 0 40 BEAB COc1ccc(CNc2cn(C)nc2C)cc1 189570230 CJTABZBFEDBSLD-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB COc1c(CO)ccc(F)c1Br 216890337 SYUFIBADEYQDMI-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CCOC(=O)c1nccc2c1ncn2C(C)C 261252502 AOMNUCGCDNVLHY-UHFFFAOYSA-N 233.271 2.189 0 40 BEAB CN(c1ccc(C(C)(C)C)nn1)[C@@H]1CCC[C@H]1O 952962557 CSHWLUZMQDUWOR-GHMZBOCLSA-N 249.358 2.124 0 40 BEAB N[C@H]1C[C@H](C(F)(F)F)CC(F)(F)C1 953073416 KKZPAIYUFASXBV-WHFBIAKZSA-N 203.154 2.311 0 40 BEAB CC(=O)Nc1nnc(Cc2ccccc2)s1 366473 IANBJAROYDJXJA-UHFFFAOYSA-N 233.296 2.087 0 40 BEAB O=C(Nc1ccccc1O)c1ccccn1 372399 VQNPYGMCQVAXJZ-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB Cc1c(Br)cccc1NN 2546156 UGYOLUQSSXGFRU-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB Cn1ccc(C(=O)NC2CCCCCCC2)n1 2767198 FLBOZHDELVSXNP-UHFFFAOYSA-N 235.331 2.263 0 40 BEAB COc1cccc(NC(=O)C2CCC2)c1 3607651 AEIRCHWOUYQSEU-UHFFFAOYSA-N 205.257 2.434 0 40 BEAB CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4134564 ILMKKYOKRVVYTN-UHFFFAOYSA-N 241.356 2.234 0 40 BEAB CCn1c2ccc(F)cc2c2nnc(S)nc21 5823306 BCPWQXOGLWDPSP-UHFFFAOYSA-N 248.286 2.427 0 40 BEAB CCOC(=O)N[C@H]1CCc2ccccc2C1 5830347 CWZBTFUMGMDOGT-LBPRGKRZSA-N 219.284 2.290 0 40 BEAB CC(C)(C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 12098107 FBMQILIZLTUTNK-UHFFFAOYSA-N 248.282 2.002 0 40 BEAB COc1ccc(C(=O)O)cc1-n1cccc1 13566342 DMEAHEOVFMRNLP-UHFFFAOYSA-N 217.224 2.184 0 40 BEAB COc1ccccc1NC1CCN(C)CC1 19772179 SVEGXXVOBPBVGB-UHFFFAOYSA-N 220.316 2.201 0 40 BEAB in-vitro C[C@H]1CCCN(C(=O)c2cccc(N)c2)C1 20193156 QVNYGFFOAHVHHC-JTQLQIEISA-N 218.300 2.141 0 40 BEAB O=C(Nc1ccnn1Cc1ccccc1)C1CC1 32897869 ZLTJXWGJTVWSLD-UHFFFAOYSA-N 241.294 2.280 0 40 BEAB CNCc1ccc(OCC(F)(F)F)cc1 34657536 YLPLFZUYZWTLDH-UHFFFAOYSA-N 219.206 2.347 0 40 BEAB in-vitro COc1cccc(CN)c1OC1CCCC1 35413040 JCPWWJQXMDKTAO-UHFFFAOYSA-N 221.300 2.475 0 40 BEAB in-vitro O=C(CNCC1CCC1)Nc1ccccc1 37180650 KIEILXKRMGNDGG-UHFFFAOYSA-N 218.300 2.015 0 40 BEAB CCOc1cc(Br)ccc1CN 37475487 NFMGEYSLVHYMFT-UHFFFAOYSA-N 230.105 2.307 0 40 BEAB COC(=O)[C@@H]1CCCCN1Cc1ccccc1 38868460 BFVMYXXBFRSMJP-ZDUSSCGKSA-N 233.311 2.214 0 40 BEAB Cc1ccc(-c2nnn(C(C)C)n2)cc1 40161764 OTGOPSIRQIASOP-UHFFFAOYSA-N 202.261 2.229 0 40 BEAB CC(C)(C)c1ncc2c(n1)CCC[C@H]2N 40449131 PTTJLUSUFFKNMR-SECBINFHSA-N 205.305 2.110 0 40 BEAB O=C(C1CCC1)N(Cc1ccccn1)C1CC1 40465400 XXIFVYKRGMJHCE-UHFFFAOYSA-N 230.311 2.373 0 40 BEAB CC(C)c1cc2nc(C(=O)O)cc(C3CC3)n2n1 41292332 RNBWTXWYXLYXFL-UHFFFAOYSA-N 245.282 2.428 0 40 BEAB COC(=O)c1ccc([C@H](O)C(F)(F)F)cc1 43367973 PLJUNKFWSHGRNI-QMMMGPOBSA-N 234.173 2.069 0 40 BEAB in-vitro OC[C@@H]1CCCN(CCCOc2ccccc2)C1 48581724 VQPMUXVHWQDIEK-CQSZACIVSA-N 249.354 2.160 0 40 BEAB Cc1ccc(C(=O)NCC(F)(F)F)cc1F 52549477 SAMWIAQZHRPUEI-UHFFFAOYSA-N 235.180 2.426 0 40 BEAB Cc1cc(C(=O)O)c(O)c(Cl)c1C 57339857 KJGMRKGIKOWWCL-UHFFFAOYSA-N 200.621 2.361 0 40 BEAB CC[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 57529488 JKRMHVLPJAVGAR-JTQLQIEISA-N 249.310 2.376 0 40 BEAB CCCCSc1nnc(NCCOC)s1 57934160 YTHDAVVLKFNYNA-UHFFFAOYSA-N 247.389 2.489 0 40 BEAB N[C@@H]1CCOc2c(ccc3ccccc23)C1=O 62661248 DZBMXCYJHYHCAR-GFCCVEGCSA-N 227.263 2.132 0 40 BEAB N[C@H](c1cccc(F)c1)C1CCOCC1 68956941 ZTBOQGBLGPVUBW-LBPRGKRZSA-N 209.264 2.252 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/C(=O)O 72207938 WVZOWSAYQHINTR-UCUJLANTSA-N 241.287 2.027 0 40 BEAB Cc1cc(CO)cnc1OCc1ccccc1 72222376 XKRXCIPUVWUXHL-UHFFFAOYSA-N 229.279 2.461 0 40 BEAB CCN(C)c1ccccc1NC(=O)[C@@H]1CCCO1 78601339 LHQXVAHUQABLAS-ZDUSSCGKSA-N 248.326 2.260 0 40 BEAB CC(=O)CSCc1cn2ccccc2n1 81272925 YJPBMDRVVCMGHS-UHFFFAOYSA-N 220.297 2.157 0 40 BEAB CC(=O)c1ccc(O[C@H]2CCOC2)c(F)c1 82453949 ZKWUERXMPBWUDD-JTQLQIEISA-N 224.231 2.196 0 40 BEAB NCc1nc(-c2ccccc2)c2ccccn12 83253553 IELUECPFHVCOGX-UHFFFAOYSA-N 223.279 2.460 0 40 BEAB C/C=C/COC(=O)c1ccc2c(c1)CCO2 84136270 GVCXFRMWOWCBKS-NSCUHMNNSA-N 218.252 2.354 0 40 BEAB CCN(C)C(=O)NC[C@@H](C)c1ccccc1 84760750 HIKYUUBRPSUYLS-LLVKDONJSA-N 220.316 2.451 0 40 BEAB O=C(C1CCC1)N1CCOc2cccc(F)c21 89800188 FXBVQXRLOCSNEP-UHFFFAOYSA-N 235.258 2.351 0 40 BEAB C[C@H](COc1cccc(F)c1)Nc1ncccn1 95394315 KVVDSGCYAAEQLO-SNVBAGLBSA-N 247.273 2.495 0 40 BEAB OC[C@@]1(c2ccccc2)CCN2CCCC[C@@H]21 95951695 QKDCTUBAQIWOAZ-HUUCEWRRSA-N 231.339 2.175 0 40 BEAB Cc1nccn1Cc1nc2ccccc2[nH]1 95990937 SYWGOXJUKFKZDJ-UHFFFAOYSA-N 212.256 2.116 0 40 BEAB COC(=O)c1ccc2oc(=S)[nH]c2c1 96299807 JMJGRFGKJKXVPP-UHFFFAOYSA-N 209.226 2.277 0 40 BEAB in-vitro Cc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 96319520 NNYVLLMUHSKINZ-CHWSQXEVSA-N 241.290 2.451 0 40 BEAB CSc1cccc(N(C)Cc2cnnn2C)c1 97376939 WBGBYVRJHXBTBX-UHFFFAOYSA-N 248.355 2.173 0 40 BEAB CC(C)[C@H](O)CCN[C@@H]1C[C@H]2CC[C@H]1C2 108328273 CIAKMBISQNXVMX-WUHRBBMRSA-N 211.349 2.172 0 40 BEAB CCOC(=N)c1ccc(C(=O)OCC)cc1 150054560 BTYXGCARTYNWDV-UHFFFAOYSA-N 221.256 2.225 0 40 BEAB CCCn1nc(C)c(CNc2ncccn2)c1C 187925822 SWMPPDXMSKENRQ-UHFFFAOYSA-N 245.330 2.312 0 40 BEAB CCOc1ccccc1Cc1cc(C)n[nH]c1=O 199773829 XWLCTCWJSXGOBE-UHFFFAOYSA-N 244.294 2.068 0 40 BEAB Cc1cn[nH]c1[C@H]1CCN(Cc2cncs2)C1 205688028 YAXKMQPPYSUGHD-JTQLQIEISA-N 248.355 2.164 0 40 BEAB CO[C@@H]1CNCC[C@@H]1Cc1ccc(C)cc1 221690375 MMIRAPBNZVCWME-ZIAGYGMSSA-N 219.328 2.162 0 40 BEAB CCOc1nc2cc(OC)ccc2cc1C=O 224967813 UZAKQSZGKRAREX-UHFFFAOYSA-N 231.251 2.455 0 40 BEAB CC(C)(C)CC(=O)NCCCc1cnoc1 245060665 PUIUQZCORIXSFP-UHFFFAOYSA-N 224.304 2.160 0 40 BEAB CC(C)CNCc1ccn(C(F)F)n1 256050944 HDOKJZBHPLTGIJ-UHFFFAOYSA-N 203.236 2.024 0 40 BEAB C/C=C/C(=O)N1[C](Cc2ccccc2)COC1=O 1560408757 OQPOCVBLOTVBOV-QHHAFSJGSA-N 244.270 2.316 0 40 BEAB CN1CC[C@H](CN)[C@H]1c1ccc(Cl)c(F)c1 101630855 ROGPDGDVTBVNPY-BXKDBHETSA-N 242.725 2.431 0 40 BEAB in-vitro NCC1CCN(CC2CCCCC2)CC1 11888987 BVSQSPAHHLJKMD-UHFFFAOYSA-N 210.365 2.237 0 40 BEAB Cc1ccc(C(=O)Nc2nccc(C)n2)cc1 363157 YYOAHVQQVGFENU-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB O=S=C1S[C@@H]2CCCC[C@H]2S1 1603977 MRCSZCZWJWNTQV-PHDIDXHHSA-N 206.357 2.078 0 40 BEAB CC1(C)[C@@H](CC(=O)O)CCC[C@@H]1CC(=O)O 1689113 MKHBBZDYDZDXPP-RKDXNWHRSA-N 228.288 2.378 0 40 BEAB in-vitro O[C@H]1C2(CCCCC2)CN[C@]12C=CCCC2 1722974 IOXFYROGVKPFKG-JSGCOSHPSA-N 221.344 2.380 0 40 BEAB C[C@H]1C[C@H]1NC1CCN(c2ccccn2)CC1 52273505 HIEZULJZBHYDOO-WCQYABFASA-N 231.343 2.048 0 40 BEAB CCOC(=O)CC1[C@@H](C)[C@@H](C)N[C@H](C)[C@@H]1C 4972510 KZLXDLZVUUMHCG-UKKRHICBSA-N 227.348 2.208 0 40 BEAB CC[C@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 12552221 RSJZMGQYZPBNRA-QMMMGPOBSA-N 233.271 2.198 0 40 BEAB COCc1ccc(C(=O)Nc2ccccn2)cc1 12528507 QQVOXQVJMIOADG-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CCOC(=O)c1cn(C(C)(C)C)nc1C 57354261 KRELGNRKLFVEIM-UHFFFAOYSA-N 210.277 2.123 0 40 BEAB CCN(CC)C(=O)CCn1ncc2ccccc21 57279566 ZXQBSLODYNTSSQ-UHFFFAOYSA-N 245.326 2.295 0 40 BEAB Sc1nnnn1-c1cccc(Cl)c1Cl 20587811 NMQREZDJRPJOPC-UHFFFAOYSA-N 247.110 2.258 0 40 BEAB Brc1cccc2c1NCCN2 107214906 FIKDZJTWPVLQDX-UHFFFAOYSA-N 213.078 2.287 0 40 BEAB CC(C)[C@H](N[C@H](C)CC(N)=O)c1ccccc1 78739176 OZZATYMCYNVQOP-RISCZKNCSA-N 234.343 2.237 0 40 BEAB O=C1C[C@@H](C2CCNCC2)Oc2ccccc21 57467226 JBCIAPJWJRAGQG-AWEZNQCLSA-N 231.295 2.020 0 40 BEAB COC(=O)[C@@H]1CCCCN1CCc1ccccc1 48232249 QYYRTPZVRWROOC-AWEZNQCLSA-N 247.338 2.257 0 40 BEAB COC(=O)c1ccc(C2CCNCC2)c(F)c1 38539402 IERHLHAKTGPWQJ-UHFFFAOYSA-N 237.274 2.079 0 40 BEAB COc1cccc(C(F)(F)F)c1CO 38529856 UJYWLAALXLVJQH-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB CC(C)(C)C1C[C@H]2CC(CO)C[C@@H](C1)C2O 17185384 LOIWTPLUDGDWQK-FMNWTUGISA-N 226.360 2.438 0 40 BEAB CCNC(=O)COc1cccc2ccc(C)nc12 8428426 QJLVFFCPZFICFV-UHFFFAOYSA-N 244.294 2.058 0 40 BEAB COC(=O)Cc1csc(Cc2ccccc2)n1 49835355 BWRNTNIKTOXPSG-UHFFFAOYSA-N 247.319 2.449 0 40 BEAB CC(C)(C)NC(=O)c1ccc2c(c1)CCO2 4362171 BACMZMXPSNGIAM-UHFFFAOYSA-N 219.284 2.150 0 40 BEAB CCCc1ccc(NC(=O)/C=C\C(=O)O)cc1 4482931 GLRHIWBWLCLOKE-HJWRWDBZSA-N 233.267 2.218 0 40 BEAB CNc1nc(C)c(C(=O)c2cccnc2)s1 8715583 WMRZNRJMABNZNT-UHFFFAOYSA-N 233.296 2.119 0 40 BEAB Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 14629341 MTGVVZQHFZESMO-VIFPVBQESA-N 227.691 2.480 0 40 BEAB in-vitro O=C(O)c1[nH]nc2cccc(C(F)(F)F)c12 26894321 CEHPFCDIVYERDZ-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB CCN[C@@H](C)Cc1ccc(OC)c(OC)c1 20084573 ZRXZDUBEZXLNLM-JTQLQIEISA-N 223.316 2.244 0 40 BEAB C[C@@H](CO)NC(=O)C=C1CCC(C)(C)CC1 95433551 RGOGSRLFMDKHIX-JTQLQIEISA-N 225.332 2.010 0 40 BEAB CN(CCSc1ncn[nH]1)c1ccccc1 95414660 SRBDOIWGAUHQHP-UHFFFAOYSA-N 234.328 2.033 0 40 BEAB CC[C@@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 9959525 VPMWZLUFDOHJFC-NXEZZACHSA-N 221.300 2.453 0 40 BEAB C[C@H](NCC(=O)O)c1cccc(Cl)c1 36722935 UJQGOTPKIGGGMD-ZETCQYMHSA-N 213.664 2.075 0 40 BEAB O=C(O)[C@@H]1CCN[C@@H](C2CCCCC2)C1 74148224 ODFLYTQSBJFZEJ-GHMZBOCLSA-N 211.305 2.020 0 40 BEAB NCCC1CCN(C(=O)Nc2ccccc2)CC1 70187930 MFZUVLOOUMEALP-UHFFFAOYSA-N 247.342 2.279 0 40 BEAB CN(C)c1nc(-c2cccc(N)c2)cs1 40176482 VKGZYDJATLBKEA-UHFFFAOYSA-N 219.313 2.458 0 40 BEAB CO[C@H](C)C(=O)N1CCc2c(Cl)cccc21 89420197 ZILSDKQDOSKIDG-MRVPVSSYSA-N 239.702 2.264 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@@](C)(O)C1 84424168 LGRWHSYCFGRDCZ-GFCCVEGCSA-N 229.320 2.158 0 40 BEAB CNC(=O)c1cc(N)ccc1N1CCCCCC1 225486069 PJSITEJSQGNFJU-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB CC[C@H](O)c1cc(OC)c(OC)c(OC)c1 40975085 FLYMDKWKEGXJLA-VIFPVBQESA-N 226.272 2.156 0 40 BEAB biogenic,in-vitro Cc1ccc(-c2cnn([C@@H](C)CN)c2)cc1 85391498 QBYXJILDRNGOLP-NSHDSACASA-N 215.300 2.378 0 40 BEAB O=Cc1cccc(F)c1N1CCSC1 95081227 DLHDTGCRBHCTDR-UHFFFAOYSA-N 211.261 2.149 0 40 BEAB Brc1cnc(N2CC=CCC2)nc1 163142598 CMUCFZAVDCCJFX-UHFFFAOYSA-N 240.104 2.005 0 40 BEAB CNC(=O)c1cc2cccc(Cl)c2o1 96460738 IGYDNHGFTSHRPI-UHFFFAOYSA-N 209.632 2.446 0 40 BEAB NCCn1nccc1-c1ccc(Cl)cc1 96527691 RNTKEWPIHWLPPP-UHFFFAOYSA-N 221.691 2.162 0 40 BEAB CCn1cc(NCc2c(C)cnn2CC)cn1 256054722 XMOBRQGLWKAAAT-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2 252584778 CVDQDQYMGSDCEG-PRSXHHODSA-N 249.354 2.106 0 40 BEAB O=Cc1nccc(Cl)c1Br 95932335 JGTMXKVAZSRJNL-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB Cc1cc(N)cc(C(F)(F)F)c1C=O 585672800 DJPQGBQYMQVZDW-UHFFFAOYSA-N 203.163 2.409 0 40 BEAB COC(=O)C[C@@H]1COc2ccc(Cl)cc21 585656390 RTGAANFXGZHDHK-SSDOTTSWSA-N 226.659 2.379 0 40 BEAB CN(C)[C@H](CN)c1csc2ccccc12 54463954 UPJVLQXKNROPIO-LLVKDONJSA-N 220.341 2.463 0 40 BEAB CC(=O)OCC[C@@H](C)CC[C@@H](F)C(C)(C)O 95470369 CUAABNZMYPAGAI-GXSJLCMTSA-N 234.311 2.465 0 40 BEAB Cc1cc(C)c2nc(N3CC[C@@H](O)C3)sc2c1 1889104375 FRTMZCVUIHTGBA-SNVBAGLBSA-N 248.351 2.484 0 40 BEAB C[C@H]1CCCN(CN2CCC[C@H](C)C2)C1 19321099 KLFHRQOZJWCFOI-STQMWFEESA-N 210.365 2.408 0 40 BEAB Cc1nc(-c2ccncc2)sc1CO 9280584 WSBUFMYJALKFHJ-UHFFFAOYSA-N 206.270 2.006 0 40 BEAB CCOC(=O)/C=C/c1ccccc1C=O 2511439 YTQRPRCIESSITI-BQYQJAHWSA-N 204.225 2.075 0 40 BEAB NC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 7770380 WAAWNDGGFOERAC-LLVKDONJSA-N 244.294 2.080 0 40 BEAB CCCNc1ccc(N)cc1C(=O)OCC 41046076 GUYUPJGACVIVPM-UHFFFAOYSA-N 222.288 2.267 0 40 BEAB CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 34862827 AMQFZOPFHJQGLB-OPRDCNLKSA-N 215.362 2.290 0 40 BEAB C[C@H]1C[C@H](CCN)CN1Cc1ccccc1 83254963 MNHIPMWKEKKGBU-JSGCOSHPSA-N 218.344 2.246 0 40 BEAB in-vitro CN[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 20283638 ZBQMTJZQSAUXMK-ZJUUUORDSA-N 232.110 2.171 0 40 BEAB in-vitro CC(=O)Nc1scc[n+]1Cc1ccccc1 392308 CEQJBLMZIODOCP-UHFFFAOYSA-O 233.316 2.042 0 40 BEAB CCCCC[C@@]1(C)OC[C@@H](COC(C)=O)O1 1681922 SRVZUFBIUWFSMG-NEPJUHHUSA-N 230.304 2.261 0 40 BEAB O=C(O)/C=C\c1ccc(C(F)(F)F)nc1 4467396 ATQAZNAOJJOPTL-RQOWECAXSA-N 217.146 2.198 0 40 BEAB COc1ccc(C2=CCC(=O)O2)c(C)c1 4481161 OWGOQJGILHKRJI-UHFFFAOYSA-N 204.225 2.291 0 40 BEAB C[C@H]1Cc2cc(CNC[C@@H]3CCCO3)ccc2O1 6679755 BVJLJADGPBUSCS-FZMZJTMJSA-N 247.338 2.279 0 40 BEAB O=C(NCc1ccco1)c1n[nH]c2ccccc12 7990286 MGITVMOEUWYLEM-UHFFFAOYSA-N 241.250 2.086 0 40 BEAB O=C(NCc1ccc(F)cc1)NCc1ccco1 9722004 XWYDDFGJYPVPLC-UHFFFAOYSA-N 248.257 2.418 0 40 BEAB C[C@H]1CCC[C@@H]1OC[C@H](O)CN1CCCCC1 10434794 ZSEZJUFXRAHNSD-MJBXVCDLSA-N 241.375 2.038 0 40 BEAB CCc1c(C)c2c(O)cc(O)cc2oc1=O 11765928 LMBVZRWOMBLLTP-UHFFFAOYSA-N 220.224 2.075 0 40 BEAB O=C1OC2(c3ccccc3)[C@H]3CCC[C@@H]2C13 13116555 PTVIARLALXPYHC-KCXRBIIJSA-N 214.264 2.485 0 40 BEAB c1ccc2oc(CC3CCNCC3)nc2c1 15423952 YFWHICXKHXCIJM-UHFFFAOYSA-N 216.284 2.370 0 40 BEAB Sc1nccc(N2CCc3ccccc32)n1 16524838 OHNDPTMGOCAWQW-UHFFFAOYSA-N 229.308 2.460 0 40 BEAB NCc1ccc(NC(=O)Cc2ccccc2)cc1 19280628 SPDHGEIKYQNDGS-UHFFFAOYSA-N 240.306 2.327 0 40 BEAB CCCN1CCC(NCc2ccccn2)CC1 19957001 UOWIKXMCCGLMLJ-UHFFFAOYSA-N 233.359 2.046 0 40 BEAB CC[C@H]1CCCCN1c1ncccc1N 20317249 SPUFTYVJANTLIY-JTQLQIEISA-N 205.305 2.433 0 40 BEAB COc1ccccc1CNC(=O)C=C(C)C 22929015 GXUXREQFZCIEKD-UHFFFAOYSA-N 219.284 2.278 0 40 BEAB CN(C)c1cc(C(C)(C)C)nc(Cl)n1 32234039 DTIXERBFPRGSBX-UHFFFAOYSA-N 213.712 2.494 0 40 BEAB CSCCC(=O)N1C[C@H](C)C[C@@H](C)C1 33023785 BGKMIJJZBSSZOC-NXEZZACHSA-N 215.362 2.244 0 40 BEAB NNc1nc2c(F)cc(Cl)cc2s1 34936100 GWCZFNGJNNAPDU-UHFFFAOYSA-N 217.656 2.374 0 40 BEAB CC(C)=CC(=O)NCc1nc(C)cs1 42038152 OSENCEUEDMOLPS-UHFFFAOYSA-N 210.302 2.034 0 40 BEAB CCOC(=O)CCC(=O)c1ccsc1 43210317 UJOHAAXPWQOPDT-UHFFFAOYSA-N 212.270 2.274 0 40 BEAB Cn1cc(C(=O)c2cc3ccccc3o2)cn1 44496466 VKUCVUPQVDBWDD-UHFFFAOYSA-N 226.235 2.397 0 40 BEAB CONC(=O)N1CCC(Cc2ccccc2)CC1 45037281 RNGQNJJTYRQWPN-UHFFFAOYSA-N 248.326 2.212 0 40 BEAB Cn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c21 57352259 PZQHTGGMJXMIDR-UHFFFAOYSA-N 243.241 2.068 0 40 BEAB CCn1cc(NC(=O)Cc2ccccc2C)cn1 58326966 QBJQXJALYZVACH-UHFFFAOYSA-N 243.310 2.393 0 40 BEAB CC(=O)N1CCC[C@H]1c1cncc(C)c1 72211336 GNCXUMPLVUFMAJ-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CCOc1ccc([C@@H]2CCCCN2)cn1 72211791 MUIOATMAWURDAO-NSHDSACASA-N 206.289 2.295 0 40 BEAB Cc1nc2cc(NC(=O)NC(C)C)ccc2n1C 74978205 XPQUQDNLCPWFAL-UHFFFAOYSA-N 246.314 2.412 0 40 BEAB CNCc1cccn1-c1ccc(OC)cc1 78582580 VQCQVBSFSHLQAZ-UHFFFAOYSA-N 216.284 2.205 0 40 BEAB Cc1ccc(F)cc1C(=O)O[C@@H]1CCOC1 78612241 VYPSIJAMNFYWCA-SNVBAGLBSA-N 224.231 2.080 0 40 BEAB COC1CCC(N(C)C(=O)c2ccco2)CC1 78731404 JFMVTROTZRVGAD-UHFFFAOYSA-N 237.299 2.309 0 40 BEAB C[C@H]1CNc2cc(Br)cnc2N1 87260514 ZCYMVYXIUYAUBV-YFKPBYRVSA-N 228.093 2.070 0 40 BEAB CCn1nc(N)c2cc3cccc(C)c3nc21 89261491 BWLICPUQJLIUFS-UHFFFAOYSA-N 226.283 2.495 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCNC[C@@H]2C)c(C)c1 94345059 KRBNHAITKITMIX-GXTWGEPZSA-N 246.354 2.031 0 40 BEAB Clc1cccc(CN2CC[C@@H]3O[C@@H]3C2)c1 95097776 GJWCZAAYXFCFHP-NWDGAFQWSA-N 223.703 2.313 0 40 BEAB CC(C)COc1cc(F)cc(CCO)c1 95732082 NZHAWHKKGARSMW-UHFFFAOYSA-N 212.264 2.395 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CNC[C@@H](C)[S@](C)=O 97098998 DTHDAAIEJBGXJU-NFFDBFGFSA-N 243.416 2.335 0 40 BEAB Cn1ccc(-c2cc(C(=O)O)c3ccccn23)n1 106820939 AIHKSNHMEGHDJL-UHFFFAOYSA-N 241.250 2.038 0 40 BEAB C[C@@H](C1CC1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1 107498715 GBZNTMMKSBRLSK-KQURDKLPSA-N 249.354 2.343 0 40 BEAB CCCCOCCOC1CCC(=O)CC1 164180523 ZQDDRJYPSQHFIK-UHFFFAOYSA-N 214.305 2.331 0 40 BEAB COc1cccc(-c2noc(-c3cnco3)n2)c1 216619279 UANVIKJUOAQXNF-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB Nc1ccc(CC(=O)O)c(C(F)(F)F)c1F 228907289 ORGJAMQVKMEFNA-UHFFFAOYSA-N 237.152 2.054 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1cccnc1Cl 242750731 ZXXKJEMOKZMKSL-RKDXNWHRSA-N 226.707 2.175 0 40 BEAB CC(C)c1ccc([C@@H]2CNC[C@H]2CO)cc1 396889099 WPBFLTJXKXQYSU-KBPBESRZSA-N 219.328 2.105 0 40 BEAB CCCCN(CCCC)Cc1cc(N)n(C)n1 408716156 JMLMEGYUNGYRAM-UHFFFAOYSA-N 238.379 2.405 0 40 BEAB CC1(C)CC[C@@H](n2nc3n(c2=O)CCCC3)C1 818078041 VQPGMHZWPSCDMJ-SNVBAGLBSA-N 235.331 2.132 0 40 BEAB CO[C@H]1CCN(C2CCCC2)C[C@@]12CCCO2 2037849936 QVEFEKGNXGVEEH-KBPBESRZSA-N 239.359 2.199 0 40 BEAB OC1(CCCc2ccccc2)CCNCC1 1730682 MRKWQCUGCSVVFJ-UHFFFAOYSA-N 219.328 2.124 0 40 BEAB CCCC1CCC(C(CO)CO)CC1 2379559 YKAQAUWVYATRHU-UHFFFAOYSA-N 200.322 2.194 0 40 BEAB COc1ccc(CSCCCO)cc1 2526392 CFKLXMNRDPVQNB-UHFFFAOYSA-N 212.314 2.311 0 40 BEAB in-vitro COC(=O)c1cccc(N2CCCC2)c1 4245069 JJJUYMBYOGDTKP-UHFFFAOYSA-N 205.257 2.073 0 40 BEAB in-vitro CNCc1cccc(CN2CCCCC2)c1 5177695 FAGCSPRVKJDWBV-UHFFFAOYSA-N 218.344 2.392 0 40 BEAB CCCC/C=C/[C@@H](C(=O)OC)[C@@H](C)C(=O)O 14438771 PYXTXZWCWQONTK-WENXHQBNSA-N 228.288 2.243 0 40 BEAB Cc1ccccc1CO[C@@H]1CCCNC1 14631582 NVDNJKGJBMROPH-CYBMUJFWSA-N 205.301 2.264 0 40 BEAB Cc1cccc(CO[C@H]2CCCNC2)c1 14631595 JYZWSPHMZXUAPY-ZDUSSCGKSA-N 205.301 2.264 0 40 BEAB COC(=O)/C=C\SC(=S)[C@H]1CCCC1=O 17109216 ILXCOJDMKHJTNG-RBSILHGTSA-N 244.337 2.103 0 40 BEAB CNCc1ccc(F)cc1Br 19389834 VXSGFOJODCCASN-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB Cc1cccc(OCCNC2CC2)c1C 20525139 IIWSJXKLWRENKR-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB Brc1nnc2c3ccccc3cnn12 22053388 RPIFZODYUJCSNC-UHFFFAOYSA-N 249.071 2.040 0 40 BEAB in-vitro COc1ccc(N2CCSC2=O)cc1 26675967 UKUWBGHNFFEAEN-UHFFFAOYSA-N 209.270 2.368 0 40 BEAB Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)s1 27395241 FZPJESIPZVMNFX-SNVBAGLBSA-N 239.340 2.274 0 40 BEAB O=C(O)c1nc(Br)sc1Cl 31772043 YPVLHDUANVJQBW-UHFFFAOYSA-N 242.481 2.257 0 40 BEAB in-vitro Cc1ccc(CN(CC(=O)O)C2CC2)cc1 32013398 AYUOVMVBUBCZFG-UHFFFAOYSA-N 219.284 2.044 0 40 BEAB COC(=O)[C@](OC)(c1ccccc1)C(F)(F)F 32223655 RGACWXDYKJJHSQ-SNVBAGLBSA-N 248.200 2.264 0 40 BEAB Cc1ccc([C@H](C)NC(=O)c2cccnc2)o1 32721738 XYKQKEJGDCYQIX-JTQLQIEISA-N 230.267 2.474 0 40 BEAB Cc1c(F)cccc1CN1CCC(N)CC1 34510882 GUYUAUJPZKSXRC-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB CNCc1cc(-c2ccc(OC)c(OC)c2)on1 35655530 XBMOSVUENYWNNP-UHFFFAOYSA-N 248.282 2.078 0 40 BEAB C[C@@H]1CN(C(=O)c2cccs2)C(C)(C)CO1 36075956 HNNJDXUMQBZHAW-SECBINFHSA-N 239.340 2.388 0 40 BEAB CC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)s1 37020917 RSAGOSYIIJQOST-RQJHMYQMSA-N 246.763 2.316 0 40 BEAB COC(=O)[C@H](C)CNCCCc1ccccc1 37486124 ISHNNDBUVZKUEY-GFCCVEGCSA-N 235.327 2.018 0 40 BEAB CN[C@H](c1ccc(Cl)cc1)c1ncccn1 37658181 USFVRQPENBTQNL-LLVKDONJSA-N 233.702 2.439 0 40 BEAB in-vitro CC1(C)COC2(C[C@H]3CC(=O)C[C@@H]3C2)OC1 39434334 DPGJBUWFVDJWGF-NXEZZACHSA-N 224.300 2.145 0 40 BEAB CCn1nnnc1SCc1ccccc1F 40004958 VDEJRXRJVKMOHP-UHFFFAOYSA-N 238.291 2.124 0 40 BEAB Cc1cc(C)n([C@H](CN)c2ccsc2)n1 43124125 SBHNIUMJEHAIPO-LLVKDONJSA-N 221.329 2.110 0 40 BEAB COC(=O)c1cc(Cl)cc(OC)c1OC 44199747 LEZSUAYJHVTVRK-UHFFFAOYSA-N 230.647 2.144 0 40 BEAB CCCNC(=O)CSc1ccc(OC)cc1 44883960 CJBQABYPMPPLFI-UHFFFAOYSA-N 239.340 2.314 0 40 BEAB CC(C)C(=O)N1CCC[C@H]1c1ccncc1 45143240 XVOMFFAGRRGLDO-LBPRGKRZSA-N 218.300 2.401 0 40 BEAB Nc1cc(Cl)c(N2CCOCC2)c(Cl)c1 45885848 RIQMQFHEXRECRU-UHFFFAOYSA-N 247.125 2.412 0 40 BEAB CCO[C@@H](CNC)c1ccc(F)cc1F 62711581 XFCCYKQPKARBEV-NSHDSACASA-N 215.243 2.262 0 40 BEAB CNC(=O)/C=C/c1ccccc1OC(F)F 65612742 FIHXTSPWDUDURP-VOTSOKGWSA-N 227.210 2.047 0 40 BEAB CCCN(Cc1ccc(C(=O)OC)o1)C1CC1 69809161 YJCFQGYPIDJEAW-UHFFFAOYSA-N 237.299 2.441 0 40 BEAB Clc1ccc2c(c1)[C@@H]1CNCC[C@H]1N2 71484542 CTRPRBJZXMYEJI-GXSJLCMTSA-N 208.692 2.211 0 40 BEAB in-vitro C[C@@](CO)(NCC(F)(F)F)C1CCCCC1 71916316 GRSQSJYUSFJGHP-JTQLQIEISA-N 239.281 2.470 0 40 BEAB c1ccc(-c2nnc(OC[C@H]3CCCO3)o2)cc1 73698793 CAFHVDBEPBYCHG-LLVKDONJSA-N 246.266 2.294 0 40 BEAB COC(=O)c1cc(SC)ccc1F 75914911 SIHNGVUHKGRKCG-UHFFFAOYSA-N 200.234 2.334 0 40 BEAB Cn1ccc2c(C(=O)OCCF)cccc21 77958767 LWXYFRYJNJTAEO-UHFFFAOYSA-N 221.231 2.305 0 40 BEAB CCC[C@](C)(CO)NCc1csc(C)n1 78989867 VILAMSSUFJQNAZ-LLVKDONJSA-N 228.361 2.092 0 40 BEAB O=C(c1ccccn1)N1Cc2ccccc2C1 82278741 YFTUPNGGOPKVAB-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB CCOC(=O)c1ccc(OCC(F)(F)F)nc1 85217625 GRXCPNKQZNHQIH-UHFFFAOYSA-N 249.188 2.199 0 40 BEAB CNCc1cc(-c2cc(F)cc(F)c2)[nH]n1 87283152 MEEMFSKJWXPSBY-UHFFFAOYSA-N 223.226 2.074 0 40 BEAB C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC1 89941520 WHHKWFFIYJKQHX-GWCFXTLKSA-N 231.295 2.174 0 40 BEAB O=Cc1ccnc(Cl)c1Br 90411427 WWNWZARYCXPQQH-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB in-vitro CN[C@H]1CCc2c1cnn2C1CCCC1 95098092 UZOCPRYMBCCRRV-NSHDSACASA-N 205.305 2.205 0 40 BEAB CCOC(=O)c1ccc2ncc(Cl)n2c1 95215925 RFXBTKSOEXPTLG-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB Nc1ccccc1-c1nc(C2CCC2)n[nH]1 97105498 GWMAWGHMQRTFKC-UHFFFAOYSA-N 214.272 2.321 0 40 BEAB Cc1cnc(CN2CCOCC23CCCC3)o1 97230179 GRJGPQXKWUDPFV-UHFFFAOYSA-N 236.315 2.128 0 40 BEAB Cc1noc(-c2nc(-c3ccccc3)no2)n1 98212315 BOIRNJSRCAVEQM-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CN(C)c1nc(N)c(Cc2ccccc2)s1 103700419 INWHIVAEYQOVGZ-UHFFFAOYSA-N 233.340 2.382 0 40 BEAB O[C@@H](c1ccccc1)c1nccn1CCCF 154850103 ULOZCMPMDGSZSO-LBPRGKRZSA-N 234.274 2.324 0 40 BEAB C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1O 218956205 BBHRTIFJOOBMSJ-RNCFNFMXSA-N 241.281 2.168 0 40 BEAB CC(C)c1ccc([C@@H]2CN(C)C[C@H]2N)cc1 242649265 RZAQKRLKXBQPIV-UONOGXRCSA-N 218.344 2.166 0 40 BEAB Cc1cncc(NC[C@]2(C)CCCS2)n1 302150501 LFNMRLDWETZNCD-NSHDSACASA-N 223.345 2.483 0 40 BEAB O=C(c1ccncc1F)N1[C@H]2C=CC[C@H]1CC2 585380427 XQEWJCWNWNWVPD-UWVGGRQHSA-N 232.258 2.154 0 40 BEAB Cn1c(OC[C@@H]2CCCO2)nc2ccccc21 585651425 MDSWFLWXINZIRF-JTQLQIEISA-N 232.283 2.131 0 40 BEAB O=C(O)[C@@H]1NCC2(CCCC2)c2ccccc21 725239546 VUQWHDSXHPUEHB-GFCCVEGCSA-N 231.295 2.227 0 40 BEAB CC(=O)Nc1ccc2c3c(cccc13)C(=O)N2 127463 SGHUXVQFGBQNJU-UHFFFAOYSA-N 226.235 2.364 0 40 BEAB Cc1cccc(C(=O)n2nnc3ccccc32)c1 360481 HVNAIHUDBKOXIV-UHFFFAOYSA-N 237.262 2.428 0 40 BEAB O[C@H]1[C@H]2CC[C@@H]1CC[C@H]2N1CCCCC1 507079 OTFFUZVPVSDGHV-YVECIDJPSA-N 209.333 2.022 0 40 BEAB CC1(C)N=C(Oc2ccccc2)n2nccc2N1 1631875 IEFVMCJOPDNOHG-UHFFFAOYSA-N 242.282 2.328 0 40 BEAB COC(=O)C[C@]1(O)C=CCC[C@H]1c1ccccc1 1632469 YTNVBQYOPKQGNS-DZGCQCFKSA-N 246.306 2.414 0 40 BEAB CSc1ccccc1NC1=NCCO1 1639077 BAZPSAHQVPRONW-UHFFFAOYSA-N 208.286 2.207 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CO 2541652 XUFBETUUQRMWRY-ZJUUUORDSA-N 229.320 2.062 0 40 BEAB O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccccc1 2574449 SPRHBCOBGFZPAI-GHMZBOCLSA-N 218.252 2.370 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CC(=O)O 3846444 HBQRMLMRLPXAGZ-RGNHYFCHSA-N 210.273 2.103 0 40 BEAB biogenic CCCNCC(=O)Nc1ccc(F)c(F)c1F 3886997 VUXHVSPOHOOGNK-UHFFFAOYSA-N 246.232 2.042 0 40 BEAB O=C(c1ccccc1)[C@@H](O)Cc1ccccc1 5947198 XTJIDQBILYRXBC-AWEZNQCLSA-N 226.275 2.473 0 40 BEAB CCCNC(=O)Cc1ccc(Cl)cc1 5951868 WKXJQIYFMKIVSO-UHFFFAOYSA-N 211.692 2.409 0 40 BEAB CC(C)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 5977368 LCBHPWQYKRZFED-UHFFFAOYSA-N 231.251 2.350 0 40 BEAB Cc1ccc(C(=O)n2cccn2)cc1C 6278172 WDJYWYXNOYLFKL-UHFFFAOYSA-N 200.241 2.188 0 40 BEAB O=C(c1ccoc1)N(Cc1ccncc1)C1CC1 6670634 KGTFFULKPLORIE-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cc(C)no1 6738059 ATWGAIQIIIRTOU-SNVBAGLBSA-N 222.288 2.388 0 40 BEAB CCCOc1ccc(NC(N)=S)cc1 16887610 XLBYJQWZNYXJFS-UHFFFAOYSA-N 210.302 2.131 0 40 BEAB C[C@H]1CCCCN1C(=O)Cc1cccc(N)c1 20155028 NYBACNUQLFUMLJ-NSHDSACASA-N 232.327 2.212 0 40 BEAB C[C@@H](NC1CC1)c1ccc2c(c1)OCO2 22150584 OIKYYMBMHBZDPH-MRVPVSSYSA-N 205.257 2.228 0 40 BEAB CC(C)CC[C@H](C)NC(=O)/C=C/c1ccnn1C 24463411 TYYKKMKVYCUJTH-GUOLPTJISA-N 249.358 2.374 0 40 BEAB Cc1ccnc(NC(=O)c2ccc(C)s2)n1 28227807 JIOTWNGVZNEZTR-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1ccncc1 32819140 SRPDNMXLDOYNEE-SNVBAGLBSA-N 202.257 2.376 0 40 BEAB Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)cn1 32907106 ZDWIZXJCIOPRMN-SNVBAGLBSA-N 218.300 2.261 0 40 BEAB O=c1cc[nH]c2c(OCC(F)(F)F)cccc12 35731121 YDLXLDOFDOVYMO-UHFFFAOYSA-N 243.184 2.469 0 40 BEAB CCOC(=O)c1cc(C)nc2onc(C)c12 36379435 ACYFRKRSUQADCD-UHFFFAOYSA-N 220.228 2.016 0 40 BEAB in-vitro Cc1ccc(Br)c(C(=O)O)c1N 36828683 CFYMUCDDZDMONG-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB in-vitro COCc1ccccc1CNC(=O)C1CCC1 40070355 BWCRBTSUIMQREN-UHFFFAOYSA-N 233.311 2.249 0 40 BEAB COC(=O)c1nc(-c2ccc(C)cc2)oc1N 40542116 GWZUDIJPXCKYSJ-UHFFFAOYSA-N 232.239 2.019 0 40 BEAB COc1ccccc1[C@@H](O)c1ccco1 41212481 FZVWTLFJLOJXFS-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB Nc1[nH]ncc1-c1c(F)cccc1Cl 42413626 NYQIKXZYQOUXNP-UHFFFAOYSA-N 211.627 2.451 0 40 BEAB COc1cccc([C@H](CN)OC(C)C)c1 43030102 GSAAQNXSOJUTIG-LBPRGKRZSA-N 209.289 2.120 0 40 BEAB Cc1cccc2c(OCC(=O)O)ccnc12 45928517 ZQJTXKNZUYODTL-UHFFFAOYSA-N 217.224 2.007 0 40 BEAB CCCNC(=O)N[C@@H](C)c1ccccc1OC 46704899 MVCAECNEYYNDGT-JTQLQIEISA-N 236.315 2.465 0 40 BEAB O=C(O)c1cc(-c2ccccc2F)cnc1O 47206107 DEHGPXPLOVHQMV-UHFFFAOYSA-N 233.198 2.292 0 40 BEAB COc1ncccc1NC(=O)N1CCCCCC1 48286111 MZZDHXNZTCWEQR-UHFFFAOYSA-N 249.314 2.498 0 40 BEAB O=C(O)c1ccc(NCC[C@H]2CCCO2)cc1 50913407 FZOVIQODSGRVAW-GFCCVEGCSA-N 235.283 2.366 0 40 BEAB in-vitro O=C(O)CNc1ccccc1C(F)(F)F 57332622 JKMBAEJKBSMULR-UHFFFAOYSA-N 219.162 2.202 0 40 BEAB c1cc(CCSc2nncs2)ccn1 58012725 FTLINFUOTFQQSW-UHFFFAOYSA-N 223.326 2.268 0 40 BEAB CNc1ccc2ncc(-c3cccc(O)c3)n2n1 64475225 MUGLVLYHLQNKGW-UHFFFAOYSA-N 240.266 2.144 0 40 BEAB Cc1cc([C@H]2CCCCN2C=O)ccn1 72219490 WNRZJQXXIJWCAP-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB Cc1ccc(F)cc1NC(=O)CCn1ccnc1 72280516 KMUGXPAWLKOCDD-UHFFFAOYSA-N 247.273 2.359 0 40 BEAB CC(=O)N1CC[C@H](Cc2ccc(Cl)nc2)C1 72343881 YNSZOJHWJQAAPV-LLVKDONJSA-N 238.718 2.146 0 40 BEAB CNc1cnc2cc(Br)ccc2n1 75629546 PZJSWOPMCAXKKR-UHFFFAOYSA-N 238.088 2.434 0 40 BEAB COCCN(C)[C@@H](C)Cc1cccs1 81572988 FXGLBYMJWCCFTG-JTQLQIEISA-N 213.346 2.257 0 40 BEAB CC[C@@H](O)CN(C)[C@H](C)Cc1ccsc1 83817220 OAMGONZWMWTWEM-ZYHUDNBSSA-N 227.373 2.382 0 40 BEAB Cc1cc(Br)cc(OCCN)c1 84509395 DJVVRAUNPQOWAN-UHFFFAOYSA-N 230.105 2.095 0 40 BEAB CC(C)Oc1c(F)cc(CO)cc1F 86894890 WDYRKWQTBYUHGM-UHFFFAOYSA-N 202.200 2.244 0 40 BEAB in-vitro CCCc1cc(NC(=O)c2cccnc2)n(C)n1 90154967 ZPTFMPABJDLZRA-UHFFFAOYSA-N 244.298 2.020 0 40 BEAB FC(F)(F)[C@H]1N[C@@H](c2ccccc2)CO1 90557584 KWZQDMRRNOKEII-BDAKNGLRSA-N 217.190 2.236 0 40 BEAB Oc1nncc2nc(Cl)c(Cl)cc12 95097995 PHURMYVVRYDPJD-UHFFFAOYSA-N 216.027 2.037 0 40 BEAB O=C(O)c1cc(F)c(Cl)c(F)c1O 95101164 VDAOMKAAMGXYPS-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB CC(C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 95414219 IUPRQNBVWQXJLR-OAHLLOKOSA-N 247.338 2.417 0 40 BEAB C[C@H](NCCCOc1ccccc1)[C@@H]1CCOC1 95967190 AHNOHUDEUREWOF-UONOGXRCSA-N 249.354 2.470 0 40 BEAB COC[C@@H](C)SCc1nnc(C)n1C1CC1 95983968 GLKOUZUPQIGUQL-MRVPVSSYSA-N 241.360 2.190 0 40 BEAB OCCn1nccc1-c1ccc(Cl)cc1 96527618 XWUBVMCTXVMLQD-UHFFFAOYSA-N 222.675 2.196 0 40 BEAB Cc1ccc2c(c1)OCCN2Cc1cc[nH]n1 97143311 RUMFVKCOALQFNM-UHFFFAOYSA-N 229.283 2.117 0 40 BEAB O=C1C2(C[C@H]3C=C[C@H]2C3)C(=O)C12C[C@@H]1C=C[C@H]2C1 104213276 LHVUQOXIEJINII-DQFRFWOMSA-N 240.302 2.303 0 40 BEAB COc1ccc(C(=O)c2ccncc2N)cc1C 199712226 IBEMUYPGIVBYHI-UHFFFAOYSA-N 242.278 2.212 0 40 BEAB COC(=O)c1cc2cnccc2c(Cl)n1 225736940 PFEFHKDDNWVEPU-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB Cc1cc(CNc2cnn(C(C)C)c2)n(C)n1 256054132 VAWPIDFDPLKAHR-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1ccccc1N(C)C(=O)C12CCN(CC1)C2 912830028 FHRIKTJTNUBVIN-UHFFFAOYSA-N 244.338 2.054 0 40 BEAB O=Cc1ccc(Br)c2nccnc12 1525638696 XWSZOHAKJGMUTN-UHFFFAOYSA-N 237.056 2.205 0 40 BEAB c1cnc2ncnc(NCCc3ccoc3)c2c1 1775970595 GQIZYMZZHXIUMF-UHFFFAOYSA-N 240.266 2.272 0 40 BEAB CO[C@H]1CCc2c1cc1c(c2N)CCC1 2088617610 BVEZCWMJNYITNF-LBPRGKRZSA-N 203.285 2.391 0 40 BEAB CCN1C(=O)c2cccc3c(N)ccc1c23 254578 LZXPPDSORWBMRR-UHFFFAOYSA-N 212.252 2.402 0 40 BEAB O=Cc1ccc(O[C@H]2CCCCO2)cc1O 1420551 NDAHKJIBTIDZIO-LBPRGKRZSA-N 222.240 2.110 0 40 BEAB OCCN(C1CCCCC1)[C@H]1C=CCC1 1683351 BPDQIAHMBNSGOD-ZDUSSCGKSA-N 209.333 2.332 0 40 BEAB CCCCOC(=O)Nc1nccs1 1770682 LFNCOYVZNNYYTE-UHFFFAOYSA-N 200.263 2.492 0 40 BEAB CCn1ccc(CNCCc2ccccc2)n1 2536465 USLRAZKYCFNNLD-UHFFFAOYSA-N 229.327 2.235 0 40 BEAB Cc1ccc(C)c([C@@H](O)CNC(C)C)c1 5765314 PHFWPIKQCFQPJY-ZDUSSCGKSA-N 207.317 2.335 0 40 BEAB in-vitro NC1CCN(CCCc2ccccc2)CC1 11729478 FTWWEFSFFIMPQU-UHFFFAOYSA-N 218.344 2.042 0 40 BEAB N[C@@H](Cn1cccn1)c1ccc(Cl)cc1 11849850 DKQJQOWGMPWYNW-NSHDSACASA-N 221.691 2.237 0 40 BEAB CN(Cc1ccc(F)cc1)C(=O)c1cccn1C 12985643 MTFNELINJFNIGJ-UHFFFAOYSA-N 246.285 2.436 0 40 BEAB CCO[P@]1(=O)NCc2ccccc2N1 16688048 IYZCHMLLAHCPCF-CQSZACIVSA-N 212.189 2.346 0 40 BEAB Cc1cccc2cc3c(nc12)O[C@H](C)CNC3 19236732 HVZSZGYPTREYOE-SNVBAGLBSA-N 228.295 2.414 0 40 BEAB COC(=O)c1ccc(C(C)(C)C)c(N)c1 19801644 YTKXSCHMXBZLGF-UHFFFAOYSA-N 207.273 2.353 0 40 BEAB in-vitro NC[C@H](c1ccc(F)c(F)c1)N1CCCC1 22167261 YCCYMMUPEGAVFC-GFCCVEGCSA-N 226.270 2.060 0 40 BEAB NCCN(Cc1cccc(Cl)c1)C1CC1 32014909 OCIRSSDVXOCHEE-UHFFFAOYSA-N 224.735 2.263 0 40 BEAB CCc1nn(Cc2ccccc2)cc1C(=O)O 32627520 VFGNXKKHQRLSCD-UHFFFAOYSA-N 230.267 2.192 0 40 BEAB CC[C@H](C)C(=O)Nc1cc(C)nn1CC 32647802 MLFBEORSZIVNRZ-QMMMGPOBSA-N 209.293 2.196 0 40 BEAB Cc1cnc(C(=O)NCCC2CCCC2)cn1 32769581 WGHUQWYSDNBKLN-UHFFFAOYSA-N 233.315 2.095 0 40 BEAB C[C@@H](CO)[C@@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 34203297 FUBPRYXDIHQLGH-PJSNJIKXSA-N 212.333 2.192 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@@H]2C(C)=O)c1 34972954 DNDDIBPBVGGZAD-OLZOCXBDSA-N 220.268 2.396 0 40 BEAB N[C@@H](C(=O)NCc1cccs1)c1ccccc1 36984628 YGHPXQSDZMRMFC-GFCCVEGCSA-N 246.335 2.064 0 40 BEAB in-vitro CCN(CC)[C@](C)(C(=O)O)c1cccc(F)c1 37361054 OKBZOISZQCHBFQ-ZDUSSCGKSA-N 239.290 2.467 0 40 BEAB CCc1cccc2c(N3CCNCC3)ccnc12 40175309 ACUWVSATXFQBTH-UHFFFAOYSA-N 241.338 2.207 0 40 BEAB Cc1nc(CCNC(=O)c2ccoc2)cs1 40488964 IKNAWOFTRZKJBX-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB C[C@H]1CNCCN1Cc1ccc(Cl)cc1 41245330 HBRBKPUWPAQEHC-JTQLQIEISA-N 224.735 2.134 0 40 BEAB Cc1n[nH]c(C)c1CNC(=O)c1cccs1 41536001 UQUBPTUPMWYYNS-UHFFFAOYSA-N 235.312 2.018 0 40 BEAB c1ccc2oc(NC[C@@H]3CCCNC3)nc2c1 44503037 GGIWPNVKEBVTOF-SNVBAGLBSA-N 231.299 2.239 0 40 BEAB CCS(=O)(=O)N[C@H](c1ccccc1)C1CC1 48904386 OYSKLLSDMGYLTM-GFCCVEGCSA-N 239.340 2.077 0 40 BEAB CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)C[C@@H](C)C1 52635499 CCXLWFJUQCBFAC-XQQFMLRXSA-N 240.391 2.125 0 40 BEAB C[C@@H](O)[C@@H]1CNc2cc(Br)ccc21 57219132 BERTXOJABVEMKO-MUWHJKNJSA-N 242.116 2.339 0 40 BEAB CNC(=O)c1cnc(-c2ccccc2)s1 69457866 KTFDVQDLZRENGF-UHFFFAOYSA-N 218.281 2.170 0 40 BEAB COc1ccc(Br)c2c1CCNC2 70821217 CFTWXJRVIHYSMK-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB Cc1ccc(-c2nocc2C(=O)O)cc1 71508539 RZKLIIBXFNPTSC-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc[nH]1 71802307 UGNNTZDRAXRCQF-LLVKDONJSA-N 242.278 2.268 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1 72115983 RDILLAQQPURFJL-MVWJERBFSA-N 207.317 2.481 0 40 BEAB CSc1ncccc1[C@@H]1CCCN1C=O 72216928 VSIJLIQFIHRVHE-JTQLQIEISA-N 222.313 2.097 0 40 BEAB CCCc1nc(N(C)C)c2c(n1)c(C)nn2CC 72237836 VKYMLOVWTFXANO-UHFFFAOYSA-N 247.346 2.173 0 40 BEAB CC1(C)Oc2c(ccc(F)c2F)NC1=O 75883236 WZBHBTPTKVPMBH-UHFFFAOYSA-N 213.183 2.074 0 40 BEAB CC[C@@H](CCO)NC(=O)[C@H](CC)c1ccccc1 84733324 QPVWTYMPZPFXNL-UONOGXRCSA-N 249.354 2.457 0 40 BEAB C[C@@H]1CNCc2cc(Br)cnc21 91365432 SAUNBSOLPMRRHH-ZCFIWIBFSA-N 227.105 2.051 0 40 BEAB COCCn1c(C(=O)O)cc2sccc21 96516203 DOKJPHVSZBSJKP-UHFFFAOYSA-N 225.269 2.047 0 40 BEAB Cc1cccc(CN)c1I 98096512 SDAVWNUXFCVYQB-UHFFFAOYSA-N 247.079 2.058 0 40 BEAB Cn1cnnc1CNc1ccccc1Cl 129822546 QNWBFRURVNCFRT-UHFFFAOYSA-N 222.679 2.081 0 40 BEAB O=C(O)c1ccc(-c2cccc3c2OCCO3)o1 217570653 YUDIGHNOQRIHCZ-UHFFFAOYSA-N 246.218 2.416 0 40 BEAB N[C@@H]1C[C@@H]2C[C@@H]1C1(C2)SCCCS1 217613229 YSKFCZIPASFMFO-XHNCKOQMSA-N 215.387 2.310 0 40 BEAB CCOc1nc2ccccc2cc1C(=O)OC 242548865 LXHFCBQDYYIFDF-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1ccc(Cl)nc1 252479945 BQKOJNOSEHXUHY-WPRPVWTQSA-N 226.707 2.175 0 40 BEAB Cc1ccc(CC[C@H](C)NC(=O)c2cc[nH]n2)o1 390834217 UTLZGTHLEUTRSJ-VIFPVBQESA-N 247.298 2.062 0 40 BEAB CC(C)C[C@H](C)CC(=O)N1CC[C@@H](N)C[C@H]1C 521394652 VCDKJZNMVRTTMU-YNEHKIRRSA-N 240.391 2.397 0 40 BEAB COCOc1cc(Cl)c(OC)cc1C=O 1690168221 QOKTVAIWUJAFQN-UHFFFAOYSA-N 230.647 2.144 0 40 BEAB CN(C(=O)c1ncccc1F)[C@@H]1CCC[C@H]1F 1776001579 UQESPRDUDKNLGD-PSASIEDQSA-N 240.253 2.183 0 40 BEAB Cc1nnc(S[C@@H](C)C(=O)c2ccccc2)[nH]1 11710094 IWRDKGMOROSCON-QMMMGPOBSA-N 247.323 2.477 0 40 BEAB CC(C)C(=O)NCC1(N(C)C)CCCCC1 8673964 FNPJGAOKOQWLPB-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB Cc1ccccc1NC(=O)c1ccno1 6550380 RDNWMJKSLVIFAJ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB CCCc1nnc(CSc2nnc(C)o2)o1 7604707 UUNUBIBQBMICFI-UHFFFAOYSA-N 240.288 2.006 0 40 BEAB COc1cc(Cl)c(OC)c(C(=O)O)c1 57339988 QENZXPIEHJGQOV-UHFFFAOYSA-N 216.620 2.055 0 40 BEAB CCCCc1noc([C@@H]2CCCCN2)n1 57340786 UPRFINMMMJAVGA-VIFPVBQESA-N 209.293 2.227 0 40 BEAB O=c1c(Cl)nsnc1Nc1ccccc1 520013 JBYYPDOSVLSGJT-UHFFFAOYSA-N 239.687 2.295 0 40 BEAB Cc1cn2c(/C=C/C(=O)O)c(C)nc2s1 8013617 URVNGDQIJADOOF-ONEGZZNKSA-N 222.269 2.110 0 40 BEAB Cc1cc(-c2nn3c(C(C)C)nnc3s2)no1 12390365 BLAMGZPNKDDDJG-UHFFFAOYSA-N 249.299 2.273 0 40 BEAB C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]2C1 53683687 SLRCCWJSBJZJBV-AJNGGQMLSA-N 234.387 2.345 0 40 BEAB in-vivo Cc1ccc(C)c(NC(=O)c2cnsn2)c1 935408 NYUTVDMVVOUXCL-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C=CC(=O)Nc1cc(Cl)ccc1OC 36334234 UULDAICBSDOBKH-UHFFFAOYSA-N 211.648 2.473 0 40 BEAB CCOC(=O)c1ccc(C(=O)c2ccco2)o1 2392701 HMAWONVKQVYXGO-UHFFFAOYSA-N 234.207 2.280 0 40 BEAB O=C1NCCCC[C@H]1Sc1ccc(O)cc1 37995829 RDDKVWATRCGXTO-LLVKDONJSA-N 237.324 2.153 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)O 3440518 NCIPUDYBLPRKCW-HTQZYQBOSA-N 247.385 2.352 0 40 BEAB CC[C@H](C)OCc1nn(C)cc1Br 408716886 SFEGEWVULIBNCY-ZETCQYMHSA-N 247.136 2.498 0 40 BEAB Cn1nccc1C(=O)NC(C)(C)c1ccccc1 65402524 KNPRJLQDQRGZDO-UHFFFAOYSA-N 243.310 2.085 0 40 BEAB Cn1cc([C@H]2CCCN2C[C@@H]2CCCCO2)cn1 69655535 SRKTXZMNRGLNPO-UONOGXRCSA-N 249.358 2.126 0 40 BEAB O=C(C1CC=CC1)N1CCC[C@@H](c2ccn[nH]2)C1 72293482 ZCXMDOXWWNEING-GFCCVEGCSA-N 245.326 2.082 0 40 BEAB OCc1cccc(-c2noc(-c3ccco3)n2)c1 19741327 PJTMJKXNMXEVIY-UHFFFAOYSA-N 242.234 2.489 0 40 BEAB COc1ccc(-c2cnc(CCC(=O)O)o2)cc1 19803096 XNECMDGPKZMMNM-UHFFFAOYSA-N 247.250 2.367 0 40 BEAB in-vitro CC[C@H](C)OCc1ccnn1CCF 408716391 MNGOOEPEUCYSPI-VIFPVBQESA-N 200.257 2.168 0 40 BEAB COc1ccc(F)c(NC(=O)c2cc(C)n[nH]2)c1 88210299 UXVQMMWEANMRGB-UHFFFAOYSA-N 249.245 2.118 0 40 BEAB C[C@H](C(=O)N1CCCC1)c1ccsc1 89913456 BSLBQXCZRUFYEQ-VIFPVBQESA-N 209.314 2.474 0 40 BEAB CCn1cc(NCc2ccco2)c(C)n1 20351781 HJVUPELEARZVTE-UHFFFAOYSA-N 205.261 2.417 0 40 BEAB CC(C)[C@@H](CC(=O)O)NCc1ccccc1 38458047 CRGHGHLMEXVSAO-GFCCVEGCSA-N 221.300 2.276 0 40 BEAB in-vitro CCc1ccc2nccc(C(=O)O)c2c1 77255250 YBOFKSXPUZMEST-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB CC/C=C(\C)C(=O)NC[C@H](CC)N1CCCC1 42499005 GYEQSDGRARBJCT-RPHSKFLZSA-N 238.375 2.333 0 40 BEAB Cc1cc(CO)c(C)n1CC(F)(F)F 78405611 RNFAWUNMRUQYQH-UHFFFAOYSA-N 207.195 2.160 0 40 BEAB O=C(CC(F)(F)F)NCCc1ccccc1 39365200 VCTCCKAJSPGYRV-UHFFFAOYSA-N 231.217 2.298 0 40 BEAB CCN(CC)c1ncc([C@H](C)N)cc1C 72222229 HBZLUNJEIDPXSK-JTQLQIEISA-N 207.321 2.256 0 40 BEAB CC(C)CNC[C@@H](O)c1ccc(F)cc1 32012527 LNMKBIJDLWBVCZ-GFCCVEGCSA-N 211.280 2.105 0 40 BEAB Nc1ccccc1NCCCCCC(=O)O 216961713 UNOSSLXFQWGCAK-UHFFFAOYSA-N 222.288 2.326 0 40 BEAB N[C@@H]1CCC[C@H]1Nc1c(F)cccc1F 218882946 NAFSIPKLEYJQMA-NXEZZACHSA-N 212.243 2.257 0 40 BEAB COC(=O)c1ccc(-c2ccc(OC)c(N)c2)o1 73640376 CAADRMRSZOSNAR-UHFFFAOYSA-N 247.250 2.324 0 40 BEAB O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3 44918323 CEDWRANDXVVHNE-UHFFFAOYSA-N 229.235 2.416 0 40 BEAB FCCOc1ccccc1CNC1CC1 87774245 KYSFKGNXWFONMU-UHFFFAOYSA-N 209.264 2.287 0 40 BEAB COc1c(C(=O)O)cc2ccccc2c1N 40545765 GKVHUNJVSPMZLE-UHFFFAOYSA-N 217.224 2.129 0 40 BEAB CCCOc1ccc(O[C@@H]2CCNC2)cc1 42782857 UMGVAMZMVXHSMV-CYBMUJFWSA-N 221.300 2.216 0 40 BEAB C[C@H](CO)Oc1ccc(Br)cc1 41256859 DJOHYRITEGTWPF-SSDOTTSWSA-N 231.089 2.209 0 40 BEAB CC1(C)CC(=O)[C@H]2C(C(C)(C)C)=NN[C@H]2C1 228930859 BXRDAEJKVFXXOJ-WPRPVWTQSA-N 222.332 2.366 0 40 BEAB Cc1nc(C2CC2)ncc1C(=O)NCCC(C)C 225792102 IQPZRAVDWPJSFE-UHFFFAOYSA-N 247.342 2.438 0 40 BEAB CCCN1CCc2nc(NC(C)C)nc(C)c2C1 96253915 NUGRZFZMQTYHSU-UHFFFAOYSA-N 248.374 2.373 0 40 BEAB OCc1cn(-c2ccc(F)c(Cl)c2)cn1 143746821 LCZQJUPBICWMNS-UHFFFAOYSA-N 226.638 2.157 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@H]1NC1CCCC1 95919677 LXARRZSKDGTANC-VXGBXAGGSA-N 225.332 2.250 0 40 BEAB CCOC(=O)[C@H]1CS[C@@H](c2ccsc2)N1 98072893 LRDCRUIGTYLONY-BDAKNGLRSA-N 243.353 2.015 0 40 BEAB CC(C)Oc1ncc(Br)cc1O 642814691 RTAKFDQHMULLDU-UHFFFAOYSA-N 232.077 2.337 0 40 BEAB Cc1ncnc(N2CCC(CF)CC2)c1C 575603891 MIFDYWDAMXDIBJ-UHFFFAOYSA-N 223.295 2.279 0 40 BEAB Cn1cc(N2CCC[C@H](c3ccccn3)C2)cn1 72357306 ZQPUDVQUTSUIPU-LBPRGKRZSA-N 242.326 2.199 0 40 BEAB CC(=O)Nc1cccc([C@H]2CCCNC2)c1 75905303 KQUGDJVAYUVALZ-LBPRGKRZSA-N 218.300 2.112 0 40 BEAB CC(C)(C)OC(=O)C1(CN)CCCCC1 95635129 ANWILIYBQWXPIB-UHFFFAOYSA-N 213.321 2.237 0 40 BEAB in-vitro Cc1nc(CCNCc2cccc(C)c2C)n[nH]1 95455749 CKZLMXWMXKPXBL-UHFFFAOYSA-N 244.342 2.062 0 40 BEAB COc1c(F)cc(CO)cc1Br 216890103 OGJHTLXJZBLAKQ-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CN(C)C[C@@H]1CCCc2ccccc2C1=O 5207924 KXZUEKMRAUIUJL-LBPRGKRZSA-N 217.312 2.383 0 40 BEAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cl 14607919 QRGHZVDTBDUXOL-UHFFFAOYSA-N 248.673 2.416 0 40 BEAB Cc1cccc([C@@](O)(C(=O)O)c2ccccc2)c1 16922453 KMTWMSGNLPWRGV-OAHLLOKOSA-N 242.274 2.316 0 40 BEAB O=C(O)c1c(Cl)nc2cc(Cl)ccn12 390822043 RKFUPEMKWKASTN-UHFFFAOYSA-N 231.038 2.339 0 40 BEAB Cc1cc(C)n(-c2cc(NC3CCC3)ncn2)n1 1888854725 YLUNAQSEOLFMGS-UHFFFAOYSA-N 243.314 2.244 0 40 BEAB CC(=O)c1c(O)c2ccccc2n(C(C)C)c1=O 100329533 UKNKIEZLTTZRLX-UHFFFAOYSA-N 245.278 2.491 0 40 BEAB N[C@H]1C[C@H]1c1cccc(Br)c1 32012643 CFVKOAMEQVZCAM-IUCAKERBSA-N 212.090 2.264 0 40 BEAB Cc1cc(F)ccc1NC(=O)c1cnn(C)c1 376009 BQLFUZPMSIAHHT-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CCC[C@@H](O)[C@](C)(C(=O)O)c1ccccc1 1577596 XRHHBKJQHNRZHN-DGCLKSJQSA-N 222.284 2.190 0 40 BEAB O=S1(=O)c2ccccc2[C@H]2CC=CC[C@H]21 1667908 AAHUGKYBXQRWHB-ZYHUDNBSSA-N 220.293 2.276 0 40 BEAB CC[C@H](C)OC(=O)[C@H](O)c1ccccc1 1693712 HFSGWDZFNVDYJK-GXSJLCMTSA-N 208.257 2.062 0 40 BEAB O=C(CN1CCCC1)Nc1ccc(Cl)cc1 3200293 CLRHPZQZTGPRDZ-UHFFFAOYSA-N 238.718 2.374 0 40 BEAB CC(C)[C@@H](C)NC(=O)Cc1ccccc1 5284842 ZIEJSEMUACQFOC-LLVKDONJSA-N 205.301 2.390 0 40 BEAB CC[C@H]1SC2=NC(C)(C)CC(C)=NN2C1=O 5468163 ZTSCETNURZPVPI-MRVPVSSYSA-N 239.344 2.255 0 40 BEAB CCNC(=O)c1ccc(N2CCCCC2)cc1 7504752 WWARZMSNTKHRKW-UHFFFAOYSA-N 232.327 2.427 0 40 BEAB CC[C@@H](C)[C@H](N)C(=O)N(C)c1ccccc1 11959677 GPNOKMXWKRHIFF-PWSUYJOCSA-N 220.316 2.023 0 40 BEAB COC(=O)c1cc2ccc(F)cc2nc1C 12915337 LPVAHEDEMDYHQC-UHFFFAOYSA-N 219.215 2.469 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2occc21 12925532 RCFKXNULFSPASJ-DVVUODLYSA-N 219.284 2.429 0 40 BEAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](CO)C2)c1 12976924 BPMCZRNMJHZQCB-CYBMUJFWSA-N 247.338 2.148 0 40 BEAB C[C@@H](CC(=O)O)CC(=O)c1cccs1 15441796 KJUUVTWVCRWMBQ-SSDOTTSWSA-N 212.270 2.432 0 40 BEAB COc1ccc(CO)cc1OCC(C)C 20032534 SLXISQPIWZYONS-UHFFFAOYSA-N 210.273 2.222 0 40 BEAB CCN(CC)Cc1ccc(NC(N)=S)cc1 20160458 XPZJUXDZOMKCRB-UHFFFAOYSA-N 237.372 2.184 0 40 BEAB O=C(CC1CCCC1)Nc1ncccc1O 21901766 ZXHFREVEXXOWKS-UHFFFAOYSA-N 220.272 2.306 0 40 BEAB CCC[C@@H](C(=O)OC)N1C[C@H](C)C[C@@H](C)C1 22538688 NPBBRGNFLTWNPV-UTUOFQBUSA-N 227.348 2.306 0 40 BEAB CCOc1ccc(-c2cc(C(=O)O)n(C)n2)cc1 26420196 ATLYDGJDRLAJCV-UHFFFAOYSA-N 246.266 2.184 0 40 BEAB Fc1ccccc1COC[C@H]1CCCCN1 28521888 YWLKUPBLUWDJSY-GFCCVEGCSA-N 223.291 2.484 0 40 BEAB O=C(Nc1ccncc1Cl)C1CCC1 32731836 SPSXWAOLHAXPBS-UHFFFAOYSA-N 210.664 2.474 0 40 BEAB CC[C@H](C(=O)N1CCC(O)CC1)c1ccccc1 32732162 GQWWAPWXFCXPEI-AWEZNQCLSA-N 247.338 2.164 0 40 BEAB CCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]1 34251280 HJEFOTGDLMGZFW-UHFFFAOYSA-N 232.283 2.285 0 40 BEAB Cc1cccc(CNc2nc(C)n[nH]2)c1 35684095 NBPQEVJCSKJRIW-UHFFFAOYSA-N 202.261 2.034 0 40 BEAB CCOC(=O)c1cnc2ccccc2c1N(C)C 40162877 YDUVHEKZYACIHR-UHFFFAOYSA-N 244.294 2.478 0 40 BEAB CC[C@@H](C)C(=O)NCC1(N(C)C)CCCC1 40523088 IACRAPQYWQCMRL-LLVKDONJSA-N 226.364 2.023 0 40 BEAB CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 51951720 GDZPWQCQDBQIJJ-GXTWGEPZSA-N 247.338 2.318 0 40 BEAB N[C@H]1CCOc2c(ccc3ccccc23)C1=O 62661243 DZBMXCYJHYHCAR-LBPRGKRZSA-N 227.263 2.132 0 40 BEAB CCO[C@H](CN)c1c(F)cccc1F 62711925 CDWMFUZPBOWILT-SECBINFHSA-N 201.216 2.001 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)NCc1ccco1 65587883 QRRFIKSVMPKUMJ-SNVBAGLBSA-N 248.282 2.303 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C 72208909 NGIVTSQPSSMURS-RKDXNWHRSA-N 231.336 2.307 0 40 BEAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1 72218753 IDLARQBNWVZAHE-GFCCVEGCSA-N 219.332 2.271 0 40 BEAB CONC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 75145515 JXGWIUBHSFLJMT-UWVGGRQHSA-N 240.690 2.057 0 40 BEAB Cc1cc(CN2CCC[C@@H]2c2noc(C)n2)no1 75573192 VBXCJTZFYRMBFP-LLVKDONJSA-N 248.286 2.012 0 40 BEAB COc1cc(Cl)c(C(=O)O)c(OC)c1 75627086 QKKSYRXIBLFVDR-UHFFFAOYSA-N 216.620 2.055 0 40 BEAB Cc1nn2ccccc2c1Br 82373784 CNXNUGAFNDHRDX-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB O=C(c1ccncc1F)N1C[C@H]2CCCC[C@H]2C1 89884887 QHFNMLSCKTZUKM-PHIMTYICSA-N 248.301 2.483 0 40 BEAB C[C@H](CC(=O)N1CCCCC1)n1cccc1 89894517 SIPMUTIUARHAIC-GFCCVEGCSA-N 220.316 2.452 0 40 BEAB CC[C@@H](NC1CCSCC1)[C@H]1CCCO1 90858830 KZZQTSGQTMSMCD-VXGBXAGGSA-N 229.389 2.429 0 40 BEAB c1cnc2nc(C3CCNCC3)ccc2c1 91692461 NVSFWPWBLWIBAW-UHFFFAOYSA-N 213.284 2.097 0 40 BEAB CC[C@@](C)(O)CNC(=O)c1ccc(C)cc1F 94239563 STJDNTTXSNOXEL-CYBMUJFWSA-N 239.290 2.025 0 40 BEAB C/C=C\C(=O)OCC(F)(F)C(F)(F)F 96268955 CCXWPKBNZYFHKT-IHWYPQMZSA-N 218.121 2.303 0 40 BEAB Fc1ccc(F)c(CSc2cn[nH]n2)c1 97014305 RZWDCJBNNLEDPF-UHFFFAOYSA-N 227.239 2.375 0 40 BEAB CC[C@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 97376648 KGUGDEOTIRHQJE-ZETCQYMHSA-N 222.292 2.057 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@H]1SC(=N)NN=C21 100928171 QKTKJUURJFAZSY-CDOJRTKCSA-N 223.345 2.438 0 40 BEAB O=c1[nH]nc2c3cc(Cl)ccc3[nH]cc1-2 101388872 OZKOTNMUDXCUII-UHFFFAOYSA-N 219.631 2.009 0 40 BEAB Cc1ncsc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C 102066575 UQECXWWIKIESSX-IUCAKERBSA-N 236.340 2.180 0 40 BEAB CCc1ncc(NC(=O)[C@H]2CC2(C)C)cn1 152453293 QUKPMCPNCSSNDB-SECBINFHSA-N 219.288 2.024 0 40 BEAB CC(C)(C)OC(=O)[C@]1(N)CC2CCC1CC2 253186035 RDVZRSSJLUROFT-ZPPKWKGLSA-N 225.332 2.236 0 40 BEAB CC(C)n1ccc(CNCc2cccc(O)c2)n1 256053254 QSEUKEVTBJPSOQ-UHFFFAOYSA-N 245.326 2.459 0 40 BEAB CCOC(=O)c1ccc(C(=O)C(C)C)o1 261193972 PUCNJSOSZUQXKP-UHFFFAOYSA-N 210.229 2.295 0 40 BEAB CC(C)N(C/C=C/C(=O)O)C(=O)OC(C)(C)C 685937494 ZBAPHOBPWKLHJQ-VOTSOKGWSA-N 243.303 2.273 0 40 BEAB CC(C)(C)NC(=O)N1CCC[C@H](CF)C1 711502218 LLVFREFRTCDSMT-SECBINFHSA-N 216.300 2.176 0 40 BEAB COC(=O)c1ccccc1NC(=O)c1ccco1 136261 KDYJZZRGSCMQNQ-UHFFFAOYSA-N 245.234 2.319 0 40 BEAB Cc1ccc(C(=O)NC2=NCCS2)cc1C 513791 RSDCNJFJDWOUIZ-UHFFFAOYSA-N 234.324 2.136 0 40 BEAB CC(C)N(CC(C)(C)O)C(=O)c1ccccc1 1710439 MPYRADVPZVYBCA-UHFFFAOYSA-N 235.327 2.308 0 40 BEAB COC(=O)N[C@@H](c1ccccc1)[C@@H](C)F 1712332 BYYHKRXRSLYAHA-PSASIEDQSA-N 211.236 2.442 0 40 BEAB CCOC(=O)CC(=O)Cc1ccc(C)cc1 2518215 GDXNSFVXXGAUMU-UHFFFAOYSA-N 220.268 2.060 0 40 BEAB C[C@@H](OC(=O)CCC(=O)O)c1ccccc1 2569290 IITVAEZXZLJTLD-SECBINFHSA-N 222.240 2.156 0 40 BEAB CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C)CN(C)C1 4474745 QSTBERFREDOMJD-DOMZBBRYSA-N 247.338 2.417 0 40 BEAB O=C(Nc1ccccn1)c1ccc(O)cc1 5338753 FHMHJVCJGXMNLY-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB in-vitro O=Cc1c(C(F)(F)F)nc2ccccn12 6849703 DSAAPMTUNPROQT-UHFFFAOYSA-N 214.146 2.166 0 40 BEAB O=C(NCc1ccccc1F)c1ccccc1O 7755393 ICCFVGQVDRHUJX-UHFFFAOYSA-N 245.253 2.461 0 40 BEAB C/C=C/C=C/C(=O)NCc1ccccc1OC 8115905 AQZUILYXRKCLAP-COBAKMAKSA-N 231.295 2.444 0 40 BEAB Nc1nnc(-c2ccc(Br)cc2)o1 8655128 UNSGGKLETSYTPE-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB CC(C)NC(=O)CNc1ccc(Cl)cc1F 8776790 KLZIMHUBLSIIPW-UHFFFAOYSA-N 244.697 2.416 0 40 BEAB Cc1cc(OC[C@H]2CCCO2)ccc1N 14630789 AVZSQNHTFMVTSN-LLVKDONJSA-N 207.273 2.135 0 40 BEAB in-vitro CC/C=C(\C)C(=O)N[C@H](C(=O)O)c1ccccc1 19425322 NOOUDLDKISJZHL-PMDBQALLSA-N 247.294 2.285 0 40 BEAB Cc1ccc(C(=O)O)cc1NC(=O)C(F)(F)F 20136994 SXXYVIMVFJXXQH-UHFFFAOYSA-N 247.172 2.194 0 40 BEAB CCCCN(C)C(=O)c1ccccc1N 20192923 VINJFOCXOLEUAT-UHFFFAOYSA-N 206.289 2.141 0 40 BEAB CCc1nn(Cc2ccccc2)c(N)c1C 26512143 JKWKSUAXZFXHRJ-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB COC(=O)c1cc2c(SC)ccnc2[nH]1 30677910 WZLRAIPOSYOHQG-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB COc1ccc(CCNc2ccc(C)nn2)cc1 32624599 PQGOFDPUWNFFRG-UHFFFAOYSA-N 243.310 2.448 0 40 BEAB CN(C)C(=O)CCn1ccc2ccccc21 32747757 ZSTLJJJCTQHNHF-UHFFFAOYSA-N 216.284 2.120 0 40 BEAB O=C(Nc1ccc(F)cc1)[C@@H](O)c1ccccc1 32876662 XWIRNNJTIJTHBA-ZDUSSCGKSA-N 245.253 2.498 0 40 BEAB COc1ccc(-c2ccc(=O)n(C)c2)cc1 33414763 XRUSRFWOPHJEFC-UHFFFAOYSA-N 215.252 2.061 0 40 BEAB CCN(c1ccc(C(=O)O)cn1)C(C)C 37082619 MBEFNPJYEQETAP-UHFFFAOYSA-N 208.261 2.015 0 40 BEAB in-vitro O=C(O)c1ccc2[nH]c(C(F)F)nc2c1 37400816 KMNBJTKSHJADAJ-UHFFFAOYSA-N 212.155 2.199 0 40 BEAB in-vitro CO[C@@H](CN)c1cccc(Br)c1 43022366 CNINIIWEUVZROX-VIFPVBQESA-N 230.105 2.095 0 40 BEAB Nc1ccc(OCC(F)(F)F)cc1F 43472255 KVJHWCDGFQWXQH-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB CCCCNC[C@H](C)C(=O)OC(C)(C)C 47219035 CDILYGCJJBFUQC-JTQLQIEISA-N 215.337 2.354 0 40 BEAB O=C(CCc1ccccc1)NO[C@H]1CCCCO1 63991132 CJRSLHUITQFYDG-AWEZNQCLSA-N 249.310 2.194 0 40 BEAB O[C@H]1Cc2ccccc2[C@H]1NC1CCCC1 65274924 OXPHLVLMRKWDRQ-UONOGXRCSA-N 217.312 2.177 0 40 BEAB COC(=O)c1cnc(/C=C/c2cccnc2)s1 65608272 IFDVAQCIHPQLRQ-SNAWJCMRSA-N 246.291 2.495 0 40 BEAB C[C@@H]1C[C@@H]1COC(=O)c1ccnc(F)c1 71803624 OQXFFLQCCBMQSL-VXNVDRBHSA-N 209.220 2.034 0 40 BEAB NC(=O)CN(Cc1ccccc1)[C@H]1C=CCCC1 71900602 NRDIJUPMDKYAJQ-AWEZNQCLSA-N 244.338 2.083 0 40 BEAB Cc1ncn(Cc2nccn2C(F)F)c1C 71904314 MEJAGGGIZOHTKL-UHFFFAOYSA-N 226.230 2.140 0 40 BEAB CC(C)(C)Nc1nnc(-c2ccc[nH]2)o1 74383884 FYPIJEIUPAXEJW-UHFFFAOYSA-N 206.249 2.275 0 40 BEAB COC(=O)[C@@H]1O[C@@]1(C)c1ccccc1Cl 85657568 JOIFRFLAWONKLV-ONGXEEELSA-N 226.659 2.127 0 40 BEAB CCO[C@@H](C)c1noc([C@H]2CCCOC2)n1 89984972 BQHWIFQXCJDEAA-IUCAKERBSA-N 226.276 2.061 0 40 BEAB CC[C@@H](O)CN1CCCC[C@H]1CCOC(C)C 95415734 ZIBLZWALEBXVSQ-UONOGXRCSA-N 243.391 2.427 0 40 BEAB CC[C@@H](C)S(=O)(=O)Nc1ccc(C)c(O)c1 96471803 XRIYJGUNXBXSEA-SECBINFHSA-N 243.328 2.241 0 40 BEAB CN1CCCc2ccc(CNC3CC3)cc21 96510391 DFGJSYHMSQDCGU-UHFFFAOYSA-N 216.328 2.321 0 40 BEAB CC(C)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100610235 ZKNGMOFSLSZLST-MCIONIFRSA-N 222.376 2.201 0 40 BEAB COC(=O)C12CCCC(Br)(C1)C2 196770148 ZPZYODAUWUVDNI-UHFFFAOYSA-N 233.105 2.257 0 40 BEAB CN(C)c1cc[n+](C(F)(F)[Si](C)(C)C)cc1 205284440 KXSITVUIOBSYLL-UHFFFAOYSA-N 245.369 2.467 0 40 BEAB CCCC(=O)Nc1c(C)nc(OCC)nc1C 224334832 DSFPKICZBPRVSB-UHFFFAOYSA-N 237.303 2.231 0 40 BEAB C[C@@H]1CCN(C(=O)C2(C)COC2)CC12CCC2 336392280 GJTLISXBGURLFB-LLVKDONJSA-N 237.343 2.062 0 40 BEAB CCc1c2c(nc3ccccc13)CCS2(=O)=O 630950251 ARWFQRTZOVCWRP-UHFFFAOYSA-N 247.319 2.127 0 40 BEAB CC(C)(O)Cn1c(N)nc2cccc(Cl)c21 675082386 ZHWMSVRWOFZKOL-UHFFFAOYSA-N 239.706 2.043 0 40 BEAB CCOC(=O)c1cc(-c2cccn2CC)on1 1857794110 PSWHYYATCQQPIR-UHFFFAOYSA-N 234.255 2.340 0 40 BEAB Cn1c2c(c3ccccc31)CCc1nonc1-2 102092 AJKVMRWFTXAMFH-UHFFFAOYSA-N 225.251 2.327 0 40 BEAB Cc1cc(C)nc(S[C@@H](C)CN(C)C)n1 141431 CLPQXQQJCIDIAS-JTQLQIEISA-N 225.361 2.136 0 40 BEAB O=C(c1ccc2ccccc2c1)N1CCOCC1 326868 VKXHFIXLSWJYAV-UHFFFAOYSA-N 241.290 2.312 0 40 BEAB COc1ccccc1NC(=O)c1cnoc1C 384969 ZTEPSTCCYOMPOL-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB O=C(Nc1nc(C(=O)O)cs1)c1ccccc1 1415047 SJAQWRGQJLGZDL-UHFFFAOYSA-N 248.263 2.094 0 40 BEAB CCC[C@@H](O)[C@@](C)(C(=O)O)c1ccccc1 1577598 XRHHBKJQHNRZHN-YPMHNXCESA-N 222.284 2.190 0 40 BEAB O=C1CCSC(=O)N1c1ccccc1 1581151 LJDLQPIJWHDDCH-UHFFFAOYSA-N 207.254 2.277 0 40 BEAB CCOC(=O)C(=O)Nc1cccc(Cl)c1C 1624219 JBPNCPVTNOZJMQ-UHFFFAOYSA-N 241.674 2.150 0 40 BEAB COCc1cc2c(cc1Br)OCO2 1656187 DPUCLMCMWZBDCJ-UHFFFAOYSA-N 245.072 2.324 0 40 BEAB C[C@@]1(c2ccccc2)OC[C@@H](CCCCO)O1 1672091 LIJFPWAVKWEJMI-ZIAGYGMSSA-N 236.311 2.437 0 40 BEAB CCn1/c(=N/C(C)=O)sc2cc(F)ccc21 2641990 MWSIIDSRPBBAQJ-QBFSEMIESA-N 238.287 2.309 0 40 BEAB N=C(N)Cc1ccc(Cl)c(Cl)c1 4203564 RMFCMEVNMFHDSL-UHFFFAOYSA-N 203.072 2.472 0 40 BEAB CCn1cc(CC(=O)O)c2ccccc21 4973403 NCHHYGWGXAVANC-UHFFFAOYSA-N 203.241 2.288 0 40 BEAB in-vitro C[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](C)CN1 5723448 FKYVJLAHWSGDPJ-MDZLAQPJSA-N 233.311 2.230 0 40 BEAB Cc1ccc(-c2cnn3c(=O)cc(C)[nH]c23)cc1 9488383 GGBHMDLUOCAZBG-UHFFFAOYSA-N 239.278 2.306 0 40 BEAB Cc1cc(OCCN2CC2)c2ccccc2n1 13152236 GNLWTNBEUJSHOY-UHFFFAOYSA-N 228.295 2.238 0 40 BEAB CC(=O)O[C@@H]1CN2CC[C@@H]1[C@@H](c1ccccc1)C2 13425423 HZJHUAKXMXQRMD-RBSFLKMASA-N 245.322 2.037 0 40 BEAB CCCn1c([C@@H](C)N)nc2ccccc21 19734258 NFKKKXLICUUHHD-SECBINFHSA-N 203.289 2.466 0 40 BEAB NC(=O)/C=C\c1ccc(OC(F)(F)F)cc1 33376778 JJVOFARCSZCHEV-UTCJRWHESA-N 231.173 2.084 0 40 BEAB CCCNC(=O)Nc1ccc(OC)c(OC)c1 43468021 UITRFIIFVGDPDL-UHFFFAOYSA-N 238.287 2.235 0 40 BEAB CC(C)C(=O)Nc1nc2c(s1)C(=O)CCC2 44449133 HOZBRISUJKPFNX-UHFFFAOYSA-N 238.312 2.257 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccncc1 46041267 CCYBLTGLMXHHCY-ONNFQVAWSA-N 204.273 2.054 0 40 BEAB O=C(CSC(F)(F)F)N1CCCCC1 48072662 UIFSUMKVMJYOLM-UHFFFAOYSA-N 227.251 2.252 0 40 BEAB CCc1cc2c(=O)[nH]c(C3CC3)nc2s1 48860610 GNLXHIJOMOFPFX-UHFFFAOYSA-N 220.297 2.424 0 40 BEAB CC(C)c1nc(CN2CCO[C@H](C)C2)cs1 51160480 RQYFAQXXTIAADF-SNVBAGLBSA-N 240.372 2.487 0 40 BEAB C[C@H]1CCN(C(=O)CC2CCNCC2)[C@H](C)C1 51733047 GRJZMVUAYWFWBV-NWDGAFQWSA-N 238.375 2.023 0 40 BEAB CCc1nnc(CN2C[C@@H](C)C[C@H](C)C2)o1 54114976 GLHJWFFFELRAHW-UWVGGRQHSA-N 223.320 2.110 0 40 BEAB CN(C)c1cccc(C(=O)OC[C@@H]2CCCO2)c1 57974106 JUDPIDNMNLDQSC-ZDUSSCGKSA-N 249.310 2.088 0 40 BEAB COC[C@H](C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 58283590 RKKDJOJSSLBGMY-SDDRHHMPSA-N 239.359 2.376 0 40 BEAB CCc1sc(Br)nc1C(=O)O 59268845 LODRVRAMGBHXAW-UHFFFAOYSA-N 236.090 2.166 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)/C=C/c1cscn1 64909032 QJCLSKHBCABABR-CYNONHLPSA-N 236.340 2.413 0 40 BEAB CCN(CC)C(=O)Nc1ccc2c(c1)CCO2 71834913 JIWXVRTYBLECMK-UHFFFAOYSA-N 234.299 2.495 0 40 BEAB C[C@@H](O)c1cn(Cc2ccc(Cl)cc2)nn1 72160566 PXWXFSDBNAYILL-MRVPVSSYSA-N 237.690 2.033 0 40 BEAB O=C(O)[C@@H]1CCN[C@H](C2CCCCC2)C1 74148223 ODFLYTQSBJFZEJ-MNOVXSKESA-N 211.305 2.020 0 40 BEAB Cc1cccc([C@H]2CCCCN2CC(N)=O)c1C 75999832 NMONUGSABOFMSS-CQSZACIVSA-N 246.354 2.316 0 40 BEAB COc1cc2ccnc(C(C)=O)c2cc1OC 82778721 VZIHGORDPWMIHM-UHFFFAOYSA-N 231.251 2.455 0 40 BEAB Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](O)C1 85378498 HGVCGPPOINAEML-OLZOCXBDSA-N 247.338 2.082 0 40 BEAB COc1cc(-c2nc(C(C)C)n[nH]2)ccc1O 85384085 GNLLBWGPOBCSBD-UHFFFAOYSA-N 233.271 2.309 0 40 BEAB CC1(C)[C@H](N)C[C@H]1OCc1ccccc1 85520709 CXYDSYBZISZBRQ-VXGBXAGGSA-N 205.301 2.329 0 40 BEAB in-vitro Cc1[nH]ncc1C(=O)N1CCC[C@@H]2CCC[C@H]21 87782140 PXLOMUMDRSEITK-CMPLNLGQSA-N 233.315 2.123 0 40 BEAB Oc1ccc2c(Br)n[nH]c2c1 89195933 SURPDMPJHDQNIZ-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB O=C(O)c1ccc([C@@H]2CCCOC2)cc1 95347501 JYPYCJJRDTYMQO-LLVKDONJSA-N 206.241 2.279 0 40 BEAB in-vitro CC(=O)Oc1cc(C(=O)O)cc2ccccc12 95937527 GQKJOBQQWXLXOT-UHFFFAOYSA-N 230.219 2.463 0 40 BEAB in-vitro COC[C@@]12CCC[C@@H]1CN(C(=O)c1ccco1)C2 96109137 DNGMPQMAEIYJPN-RISCZKNCSA-N 249.310 2.168 0 40 BEAB CC1CC(Cn2cc(CNC(C)C)cn2)C1 96509097 MFHLDFIKSGBMMN-UHFFFAOYSA-N 221.348 2.427 0 40 BEAB CN(C)c1ccc([C@@](C)(O)C2CC2)cc1 96543393 AZRTWRDKMNDVIA-ZDUSSCGKSA-N 205.301 2.370 0 40 BEAB COC(=O)C(C)(C)CNCc1cc(C)oc1C 97081566 GPROMHYPABUCGF-UHFFFAOYSA-N 239.315 2.185 0 40 BEAB O=C(O)c1cc(OCCC(F)(F)F)ccn1 98175337 SOVAOLXVFWSEPU-UHFFFAOYSA-N 235.161 2.111 0 40 BEAB CCOC(=O)Cn1nc(C)c2c1C[C@@H]1[C@@H]2C1(C)C 100740861 BZXRYLCGBSWIIS-RNCFNFMXSA-N 248.326 2.050 0 40 BEAB biogenic COCCn1c(C)cs/c1=N/c1cccnc1 105459640 IUWVGCFCHANYGT-WYMLVPIESA-N 249.339 2.132 0 40 BEAB CC(C)[C@H](N)CN1CC[C@H]2CCCC[C@@H]2C1 108275844 SNFUJVJQOTZTSH-MGPQQGTHSA-N 224.392 2.482 0 40 BEAB Cc1occc1SCc1nnc(C)n1C 131431916 OJSUSDQJXYMMRZ-UHFFFAOYSA-N 223.301 2.317 0 40 BEAB CCCn1nccc1CNCc1ccco1 164824519 JRQYAIWKCZYZTA-UHFFFAOYSA-N 219.288 2.176 0 40 BEAB CNc1ccc(N2CCCC[C@H]2C)c(C(N)=O)c1 226279576 YXRJRRPSHKBKCX-SNVBAGLBSA-N 247.342 2.206 0 40 BEAB CCCCNCc1cnn(CC(F)(F)F)c1 256053785 SVTQZCFABGVMRK-UHFFFAOYSA-N 235.253 2.335 0 40 BEAB Cc1c[nH]c([C@H]2CCN(c3ccccn3)C2)n1 257276713 NUVRAZTWFRGQGM-NSHDSACASA-N 228.299 2.107 0 40 BEAB Clc1ccc(-c2ccnc3nncn23)cc1 155496 TVWBGMWIIMWZOG-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB CCCC(=O)Nc1ccc(OC)cc1OC 383524 STRHTWQBIFPACY-UHFFFAOYSA-N 223.272 2.442 0 40 BEAB COCCn1c(C)c(C=O)c2ccccc21 4973358 ZDRHAVRVWJVIIC-UHFFFAOYSA-N 217.268 2.409 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1c(F)cccc1F 7307855 UXYQQNILNAIHIC-ZETCQYMHSA-N 249.282 2.042 0 40 BEAB CSCC(=O)Nc1ccc2c(c1)CCC2 7801965 HWWYACLMDDKGEN-UHFFFAOYSA-N 221.325 2.477 0 40 BEAB CCc1csc(CC2CCNCC2)n1 11884029 RMVWQUBTFQIKRU-UHFFFAOYSA-N 210.346 2.248 0 40 BEAB Cc1cc(CNC(=O)NC2CC2)ccc1F 12881275 HXDYMTSLKURGKB-UHFFFAOYSA-N 222.263 2.096 0 40 BEAB Cc1cccc(C(=O)Nc2cccc(O)c2)n1 20212198 GDMBRLBMHYTJLD-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB in-vitro COc1ccc2[nH]c(=O)cc(Cl)c2c1 22130492 NRPRRUSWUPMVRA-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB NCc1ccc(Oc2ccccc2)nc1 22221008 UPFYGCWWVXXUFI-UHFFFAOYSA-N 200.241 2.333 0 40 BEAB in-vitro C[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 32667683 ABMPOFILZJFHLU-NSHDSACASA-N 243.310 2.206 0 40 BEAB CCCOc1ccc2[nH]cc(CO)c2c1 33992423 HIXBHKWSQUTCDH-UHFFFAOYSA-N 205.257 2.449 0 40 BEAB in-vitro COc1ccc(CCCC(=O)O)cc1F 35424657 QKWHNXWKHRRCDZ-UHFFFAOYSA-N 212.220 2.242 0 40 BEAB in-vitro NCc1ccc(OC(F)F)cc1OC(F)F 35625619 UDENCIYMRAJLEI-UHFFFAOYSA-N 239.168 2.348 0 40 BEAB O=C(NOCc1ccccc1)Nc1cccnc1 36387073 PPRZQDISYQAOSU-UHFFFAOYSA-N 243.266 2.335 0 40 BEAB Cc1n[nH]cc1CNc1ccc2c(c1)OCCO2 36901494 DZDANHIJYMJPCP-UHFFFAOYSA-N 245.282 2.101 0 40 BEAB CC(=O)c1ccc2c(c1)CCCC(=O)N2 36949815 DLIWVYFZWZSWOP-UHFFFAOYSA-N 203.241 2.164 0 40 BEAB CN[C@H](C(=O)O)c1ccc(Cl)cc1Cl 37181103 BVSAQLHXQSTNAO-QMMMGPOBSA-N 234.082 2.339 0 40 BEAB Cc1ccc(OCCN(C)C(=O)[C@H]2C[C@@H]2C)cc1 40001079 NIIFKDHUSNQLMD-JSGCOSHPSA-N 247.338 2.488 0 40 BEAB COc1cccc(COC[C@H]2CCCNC2)c1 42782991 LYIYYJPFWJYZHT-ZDUSSCGKSA-N 235.327 2.211 0 40 BEAB Cc1cnn(CC2CC2)c1NC(=O)[C@@H]1C[C@@H]1C 63848981 BHPRHTUNUBTSRF-GZMMTYOYSA-N 233.315 2.196 0 40 BEAB O=C(CC(F)(F)F)OCCC(F)(F)F 64370221 BGGNUZQHARCMGK-UHFFFAOYSA-N 224.100 2.434 0 40 BEAB C[C@H](NC(=O)N(C)[C@H](C)C1CC1)C1CC1 71798775 PWPOYPFSTAPMAS-DTWKUNHWSA-N 210.321 2.225 0 40 BEAB Cc1c(Cl)cccc1N1CC[C@H](O)C1 72206457 WFJOHEQOHALZCA-VIFPVBQESA-N 211.692 2.219 0 40 BEAB C[C@H]1CN2CCC[C@H]2CN1Cc1ccsc1 72324466 OENMGDLWRDXQIX-AAEUAGOBSA-N 236.384 2.417 0 40 BEAB Cc1cc(Br)c2[nH]nnc2c1 73633906 UQVLOQMHCFPRJR-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CC(=O)N(C)c1ccccc1NC(=O)C1CCC1 76017166 HIWVIYYRCKQKRA-UHFFFAOYSA-N 246.310 2.408 0 40 BEAB CC(=O)c1c(N)sc2c1C[C@H]1CC[C@@H]2N1C 83744562 JVVYEWFPMWXSTB-APPZFPTMSA-N 236.340 2.224 0 40 BEAB Brc1ccc(-c2cn[nH]c2)nc1 85391006 KAHIJCHLCHEVQC-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB Fc1cccc(OCCC2OCCCO2)c1F 89064038 WMWSRWAQCDMQIG-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB C[C@@H]1CN(C(=O)Nc2cccnc2)C[C@H]1C 95403833 QTDBFWOHFVEURP-NXEZZACHSA-N 219.288 2.201 0 40 BEAB C[C@H](Sc1nc2ncccn2n1)C(F)(F)F 95427332 QFSONQJCVSCJFO-YFKPBYRVSA-N 248.233 2.167 0 40 BEAB CCOCC(=O)Nc1cccc(-c2cn[nH]c2)c1 95446747 ZMXHFFWTGBLMMG-UHFFFAOYSA-N 245.282 2.052 0 40 BEAB CC(C)(c1cc(=O)cco1)C(F)(F)F 95627638 MAXLUKUQVFCNSE-UHFFFAOYSA-N 206.163 2.480 0 40 BEAB COC(=O)c1cccc(Cl)c1OC 95930648 UCLGISQRTPNLEX-UHFFFAOYSA-N 200.621 2.135 0 40 BEAB Cc1nc(C)c(C)c(N2CC[C@@]3(CCOC3)C2)n1 96474603 MFZXHGNGWMJJSX-CQSZACIVSA-N 247.342 2.019 0 40 BEAB CCO[C@H](C)c1nccn1C[C@@H]1CCCO1 97378333 GIEUHGHMXAXHPG-MNOVXSKESA-N 224.304 2.160 0 40 BEAB O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc[nH]n1 98013214 BPKXLFHVBLQOGN-JQWIXIFHSA-N 233.315 2.108 0 40 BEAB CC(=O)c1ccc2cc(N(C)CCO)ccc2c1 101723158 LFRBCJWTPLLSEJ-UHFFFAOYSA-N 243.306 2.471 0 40 BEAB CC1(C)[C@@H]2CN(C(=O)c3ccco3)C[C@H]21 102360802 PQLRXIXGSUDQKA-RKDXNWHRSA-N 205.257 2.008 0 40 BEAB Cl[C@]12O[C@@]3(Cl)[C@@H]4[C@@H]5[C@@H]([C@@H]41)[C@H]1C[C@H]5[C@@H]3[C@@H]12 103930069 OIMJINRBJIBPOJ-ZUIAVTGWSA-N 229.106 2.275 0 40 BEAB Cc1c(Br)cccc1C(=N)N 148761872 JPTMEZGUKXWUBX-UHFFFAOYSA-N 213.078 2.042 0 40 BEAB CC(C)CC(=O)Oc1cccc(CO)c1 199766157 FDXFLILWEHBVCV-UHFFFAOYSA-N 208.257 2.130 0 40 BEAB Cc1cc(Cl)c(Br)c(=O)n1C 217588186 NNOSYIFHIUTAFD-UHFFFAOYSA-N 236.496 2.110 0 40 BEAB Cc1ccc(-n2cnc(C(=O)NC3CC3)c2)cc1 226754452 HFMGLSIDOKZFNF-UHFFFAOYSA-N 241.294 2.073 0 40 BEAB Cc1c[nH]c([C@@H]2CN(C3CCCCC3)CCO2)n1 257255380 KHFGQXLMXJXDQN-ZDUSSCGKSA-N 249.358 2.424 0 40 BEAB Cc1cccnc1C[C@H]1CC[C@H](N)CC1 257301052 RWUSSXRFIPQSFC-HAQNSBGRSA-N 204.317 2.450 0 40 BEAB O[C@@H]1CC[C@@H]1Nc1cccc(C(F)(F)F)n1 585298586 XSVVXFORXOYZSB-NKWVEPMBSA-N 232.205 2.036 0 40 BEAB Cc1cc(N(C)Cc2nc3c(o2)CCCC3)n[nH]1 879748759 OIIAQSCDEBEAIN-UHFFFAOYSA-N 246.314 2.221 0 40 BEAB C[C@@H]1C[C@@H](NCc2cnc[nH]2)c2ccccc2O1 894880684 IGVGMPJKYXBUEC-ZWNOBZJWSA-N 243.310 2.412 0 40 BEAB C[C@@H]1C[C@@H]2Oc3ccc(Cl)cc3C(=O)N2O1 463 OJGJQQNLRVNIKE-LDWIPMOCSA-N 239.658 2.225 0 40 BEAB in-man OCc1ccc(Oc2ccc(CO)cc2)cc1 410069 VFLRGCHXIWFSGO-UHFFFAOYSA-N 230.263 2.464 0 40 BEAB CSc1nnc2c(n1)[nH]c1ccc(F)cc12 422471 YFMBCLICOCUIMR-UHFFFAOYSA-N 234.259 2.367 0 40 BEAB Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)no1 436857 IYJKHTMDTYUZEX-IVZWLZJFSA-N 220.272 2.358 0 40 BEAB O=C(Nc1ncc(Cl)cn1)c1cccs1 1403893 OLJTZQQXWZPBML-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB COc1ccccc1CNCCCn1ccnc1 2522999 AALABIFORUASAG-UHFFFAOYSA-N 245.326 2.072 0 40 BEAB CCOC(=O)c1c(F)c(F)c(N)c(F)c1F 2525773 BMEYIUXRDDPFQU-UHFFFAOYSA-N 237.152 2.002 0 40 BEAB Cc1ccccc1NC(=S)NC1CC1 3252931 SYULGIUKBXGXBA-UHFFFAOYSA-N 206.314 2.444 0 40 BEAB CCN(CCO)C(=S)Nc1ccccc1C 3276547 BDWVONFCKKNGLD-UHFFFAOYSA-N 238.356 2.006 0 40 BEAB C[C@@H]1Cc2cc(CSC(=N)N)ccc2O1 4131605 VCFNBCYEJJBLDJ-SSDOTTSWSA-N 222.313 2.137 0 40 BEAB CC(C)(C)OC(=O)C[C@@H](N)Cc1ccccc1 4202292 ZIJHIHDFXCNFAA-LBPRGKRZSA-N 235.327 2.288 0 40 BEAB Cc1nnc(NC(=O)c2ccsc2)s1 5423694 MGLXSHUNRNMHCK-UHFFFAOYSA-N 225.298 2.160 0 40 BEAB CC1=C2C(=O)C[C@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2CC1 5533208 NBGLHQUCXXCSLL-XXBVRILMSA-N 248.322 2.500 0 40 BEAB O=[S@](NOCc1ccccc1)c1ccccc1 6575119 SXRYGLAHPSJTLE-QGZVFWFLSA-N 247.319 2.431 0 40 BEAB O=Cc1cccn1Cc1ccc(F)cc1 6674226 NZOPVHUCSSOQEW-UHFFFAOYSA-N 203.216 2.488 0 40 BEAB CSc1ncccc1C(=O)NCC(C)C 7990185 VLYDPDOQGGMLKE-UHFFFAOYSA-N 224.329 2.189 0 40 BEAB CC(C)(C)c1ccc(-c2n[nH]c(N)n2)cc1 12946193 CUOJWWPOIXAHTI-UHFFFAOYSA-N 216.288 2.351 0 40 BEAB in-vitro CCSc1ccc(NC(=O)C(C)C)nn1 13702044 YZOPZVHHRHITMF-UHFFFAOYSA-N 225.317 2.183 0 40 BEAB N[C@@H](CCN1CCCC1)c1ccccc1 20071407 RHWJDWSPXMBBDM-ZDUSSCGKSA-N 204.317 2.172 0 40 BEAB CCN(CC)C(=O)c1c(C)nn(CC)c1C 32648351 NIHQDKNFLMPYDH-UHFFFAOYSA-N 223.320 2.002 0 40 BEAB CSCC(=O)N[C@@H]1CCCC[C@H]1C 33028708 WEJVIVQDRMLGCH-RKDXNWHRSA-N 201.335 2.044 0 40 BEAB C[C@H](NC(=O)c1ccoc1)c1ccco1 36392502 UWTCESBNJAPASR-QMMMGPOBSA-N 205.213 2.364 0 40 BEAB CCCC(CCC)NCC(=O)NC(C)C 36781563 VBVKMSZXGRVKDW-UHFFFAOYSA-N 214.353 2.069 0 40 BEAB FC(F)(F)c1ccccc1[C@@H]1CNCCO1 36965103 SZXNAYXZJDWGIJ-JTQLQIEISA-N 231.217 2.366 0 40 BEAB in-vitro C[C@@H]1CC(O)C[C@@H](C)N1C(=O)OC(C)(C)C 38868135 RNQIRWQBYRTJPG-RKDXNWHRSA-N 229.320 2.155 0 40 BEAB CSc1ccc(CN(C)C[C@@H](C)O)cc1 51821360 YCQZNHLQCWETEC-SNVBAGLBSA-N 225.357 2.221 0 40 BEAB CC(=O)N[C@@H]1CCOc2c(Cl)cccc21 55455529 SXBBVWNXKYVJMR-SNVBAGLBSA-N 225.675 2.300 0 40 BEAB O=C(N1CCCC1)C1(c2ccccc2F)CC1 62063825 VAEPMOIKCDJSTG-UHFFFAOYSA-N 233.286 2.480 0 40 BEAB Cc1ccccc1OCCCC(=O)N(C)C 65540006 KEMBJPDLCMVKPP-UHFFFAOYSA-N 221.300 2.242 0 40 BEAB Cc1ccc(CNCc2ncc[nH]2)c(C)c1 67670371 SXISVFQQDXBRPM-UHFFFAOYSA-N 215.300 2.316 0 40 BEAB C[C@H]1CC(=O)CN(Cc2ccccc2)C1 68593097 LQHLLGBMPQNQLJ-NSHDSACASA-N 203.285 2.098 0 40 BEAB in-vitro CC(C)c1ccccc1NC(=O)c1cc(N)n[nH]1 80652940 MZKJTMNDHSHVNG-UHFFFAOYSA-N 244.298 2.368 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(CCNC2)C1 83339335 DVXNFYCGXYZJDI-GXFFZTMASA-N 240.347 2.043 0 40 BEAB CCC[C@@H](C(=O)NC[C@@H](C)CO)c1ccccc1 84740464 AKHXAOLGUIZODA-TZMCWYRMSA-N 249.354 2.315 0 40 BEAB Cc1cccc(C)c1C(=O)CC1OCCO1 85652258 MTNDWHMLHWVKOC-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB Cc1nc(N(C)C)ccc1Br 87493323 MAMDEZVDBHDFOR-UHFFFAOYSA-N 215.094 2.219 0 40 BEAB COc1ccc(NC(=O)c2cscn2)c(C)n1 89537033 RMOGWQQSUYLCAO-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB CCC(=O)Nc1c[nH]nc1-c1ccccc1 89941769 LHLGGXZHTCHQKJ-UHFFFAOYSA-N 215.256 2.425 0 40 BEAB C[C@@H]1CN(C(=O)Nc2cccnc2)C[C@@H]1C 95403831 QTDBFWOHFVEURP-AOOOYVTPSA-N 219.288 2.201 0 40 BEAB Clc1cnccc1NCC1=COCCO1 95408653 HDYRWAJXZWMYLX-UHFFFAOYSA-N 226.663 2.035 0 40 BEAB Cc1cc(CN[C@@H](CCO)c2ccccc2)no1 95984411 KQYQBNAGSQQZLM-AWEZNQCLSA-N 246.310 2.196 0 40 BEAB CCOc1cc(OC(F)F)c(C(=O)O)s1 96510875 WLFANVPTSBCGKA-UHFFFAOYSA-N 238.211 2.446 0 40 BEAB Cc1cccc(NC(=O)NCc2ccccn2)n1 97109195 VTEPXQCURLGMBZ-UHFFFAOYSA-N 242.282 2.107 0 40 BEAB C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCOC1 98012598 MKOCFTQHXXTDQT-WCQYABFASA-N 245.322 2.391 0 40 BEAB C=CC(=O)OCCO[C@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21 100070908 RSVDRWTUCMTKBV-VJTDZRGJSA-N 248.322 2.333 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](N)C1 148754165 WFNGGMDLHFWFRK-VHSXEESVSA-N 228.336 2.029 0 40 BEAB CCCC[C@@H](C)C(=O)N1CCOCC[C@H]1C 252498976 RRZDFCGNBDERKA-VXGBXAGGSA-N 227.348 2.450 0 40 BEAB COC(=O)C1(C(=O)c2ccccc2Cl)CC1 257198171 VFDPJTBHSCKDJV-UHFFFAOYSA-N 238.670 2.476 0 40 BEAB COc1cccc(/C=C2\SC(=O)N(C)C2=O)c1 408811728 MUXDDVDDBZYBBS-YFHOEESVSA-N 249.291 2.361 0 40 BEAB O[C@H]1C[C@@H](NCc2c(Cl)cncc2Cl)C1 865594049 OAGJEDUMJOADAZ-KNVOCYPGSA-N 247.125 2.001 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2)C1 1456452 DFJFIOBLLXANPJ-QWRGUYRKSA-N 218.300 2.200 0 40 BEAB OCC[C@@H](c1ccccc1)[C@@H]1CCCCN1 1720362 ORLHWXNQUUVXDC-KBPBESRZSA-N 219.328 2.295 0 40 BEAB CC(=O)c1c(C)[nH]c(C(=O)NC(C)(C)C)c1C 2648191 QOFMWQVCIWFPRU-UHFFFAOYSA-N 236.315 2.362 0 40 BEAB CC[C@@H](C)NC(=O)c1cccc(OC)c1 3047769 ABUCJMJPUMOCFG-SECBINFHSA-N 207.273 2.224 0 40 BEAB N=C(NC(=O)c1ccccc1)c1ccccc1 4863505 JCTSRBNDLYWLGY-UHFFFAOYSA-N 224.263 2.442 0 40 BEAB CN[P@@](=O)(N(C)C)C(Cl)(Cl)Cl 4949128 YFZLWSFSYHIZBU-LLVKDONJSA-N 239.470 2.288 0 40 BEAB NC(=O)c1ccccc1NC(=O)[C@H]1CC=CCC1 8270775 ROCWPVWDTUAALY-JTQLQIEISA-N 244.294 2.080 0 40 BEAB COC[C@@H](C)NC(=O)CCc1ccc(C)cc1 10366481 CRFQUTVBLXIYLX-GFCCVEGCSA-N 235.327 2.079 0 40 BEAB CCOC(=O)[C@@H]([C@H](C)CC)n1cccc1C=O 12404584 BRPXRASNNBGAHX-ZYHUDNBSSA-N 237.299 2.451 0 40 BEAB CCN(CC)C(=O)c1cc(C)ccc1O 12973861 BNZLUVRRQMBWEK-UHFFFAOYSA-N 207.273 2.183 0 40 BEAB CC(C)(C)NC1=NN=C(c2ccco2)CS1 14201192 BUSXEPLPLBQOGC-UHFFFAOYSA-N 237.328 2.475 0 40 BEAB C[C@@H](N)[C@H](O)c1c(Cl)cccc1Cl 20216724 ZFDZETARMJTSGD-ANLVUFKYSA-N 220.099 2.374 0 40 BEAB in-vitro NCc1ccc(Oc2ccc(F)cc2)nc1 22175826 QCGXUXWSVUQIIM-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro Cc1cc(C(=O)O)c(C)n1-c1ccncc1 22223940 ZQWLJAWEADFIJE-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB Cc1ccc([C@H](C)NC(=O)c2ccncc2)o1 23305498 RCPDFSXBYKFRBF-JTQLQIEISA-N 230.267 2.474 0 40 BEAB C(=C\c1ccccc1)\CN1CCOCC1 31924611 UDSHBISYNCGDRX-DAXSKMNVSA-N 203.285 2.032 0 40 BEAB CC(C)CC(=O)Oc1ccc(C=O)cc1 31975762 QSCOSXVVJCIFLE-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB COC(=O)/C=C\c1cncc2ccccc12 33336310 PUGNCMWPWJFYCX-SREVYHEPSA-N 213.236 2.421 0 40 BEAB O=C(O)CCc1cccc2c1OC(F)(F)O2 34597893 CMSACZJHBXMSPT-UHFFFAOYSA-N 230.166 2.025 0 40 BEAB CCOCCNCc1c(F)cccc1F 36228632 BBQNICHBKFTUAN-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB O=C(O)[C@@H]1CS[C@H](c2ccc(Cl)s2)N1 36906843 IKBXTCUEVOKTDZ-MHTLYPKNSA-N 249.744 2.190 0 40 BEAB in-vitro CN[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425044 QPAPLUQWHCZODB-MRVPVSSYSA-N 234.082 2.339 0 40 BEAB Cc1cc(C(=O)NCCc2ccsc2)no1 46242990 QJDHKPDESUAHRQ-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB CCCN(C)Cc1ccc2c(c1)OCCO2 47717210 BJUMPWODAJJQFY-UHFFFAOYSA-N 221.300 2.300 0 40 BEAB CCN(C[C@H](C)O)C(=O)Nc1cccc(F)c1 58248179 YCCCUTOXSKPDTE-VIFPVBQESA-N 240.278 2.060 0 40 BEAB FC(F)c1nnc(Br)s1 71051418 GQUADXWTZXHNAT-UHFFFAOYSA-N 215.022 2.238 0 40 BEAB O=C(O)[C@@H]1CCCN(Cc2ccc(F)s2)C1 71792032 OSHBYUMQZAKDMY-MRVPVSSYSA-N 243.303 2.184 0 40 BEAB N[C@@H](CCC(=O)O)c1cccc(Cl)c1 75069408 RZRBGXCDOSUIET-VIFPVBQESA-N 213.664 2.205 0 40 BEAB Cc1ccccc1OCC(=O)Nc1cnoc1 75170841 UJYNTCIMHCAHQP-UHFFFAOYSA-N 232.239 2.001 0 40 BEAB CCC(=O)Nc1cc(F)c(OC)cc1OC 89941770 LJRAMDPVJXNYKE-UHFFFAOYSA-N 227.235 2.191 0 40 BEAB CCNC(=O)[C@@H](CC)OC1CCCCC1 89941877 PCLVLBRZIBRXLC-LLVKDONJSA-N 213.321 2.250 0 40 BEAB CCn1cc(Nc2ncc(Cl)cn2)cn1 93537127 WQGSCFMERQYENV-UHFFFAOYSA-N 223.667 2.090 0 40 BEAB C[C@@H]1CC[C@H](CO)CN1Cc1ccsc1 93739025 ZLYXYXYFQMTCAL-MNOVXSKESA-N 225.357 2.341 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(=O)[C@H]2F 95630468 YYCAGVRICFXYHB-WEDXCCLWSA-N 243.278 2.065 0 40 BEAB CCN1CCN(Cc2ccc(S)cc2)CC1 95738734 HHLKCJPUYZAYGB-UHFFFAOYSA-N 236.384 2.113 0 40 BEAB CC[C@@H](C)OCC(=O)Nc1ncccc1Cl 95994014 MRJUICMVEZUXSQ-MRVPVSSYSA-N 242.706 2.489 0 40 BEAB COCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 96446368 GGQNZUHWIVWBSJ-VXGBXAGGSA-N 235.327 2.331 0 40 BEAB c1ccc(Cn2cc3c(n2)C[C@@H]2CC[C@@H]3N2)cc1 110751138 JXEJEWOQGSCZGP-JSGCOSHPSA-N 239.322 2.281 0 40 BEAB O=C1NC(=O)c2c(Cc3ccccc3)cccc21 115286332 RCNVWPZXBAGJQE-UHFFFAOYSA-N 237.258 2.161 0 40 BEAB Cc1ccc(OC(=O)c2cnsn2)cc1 127630499 OQOYOTSZLPESGW-UHFFFAOYSA-N 220.253 2.066 0 40 BEAB Cc1ccc([C@H](C)NN)cc1Br 161804181 KGCHJOBQPMACEF-ZETCQYMHSA-N 229.121 2.282 0 40 BEAB Cc1c(Cl)cccc1-n1cc([C@H](C)O)nn1 163366196 VXGQVAOXHFWACE-QMMMGPOBSA-N 237.690 2.282 0 40 BEAB CCCC[C@@H]1CCC[C@H]1N[C@@H]1CCN(C)C1=O 191831658 IJFMWDPLKNRNAQ-JHJVBQTASA-N 238.375 2.166 0 40 BEAB CN1CC[C@@H](Cc2ccnc(Cl)c2)C1 205699862 AKJURBGTIUHRNC-JTQLQIEISA-N 210.708 2.229 0 40 BEAB Cc1cc2c(cc1C)[C@@]1(CCO2)C[C@H]1C(=O)O 217037423 SRXIHLBTCDMUHL-SMDDNHRTSA-N 232.279 2.428 0 40 BEAB CCOc1ccc(NC(=O)C(F)(F)F)c(C)n1 225878504 BXCSMAKQPVJUKB-UHFFFAOYSA-N 248.204 2.290 0 40 BEAB CCc1ccc(CNCc2ccco2)n1C 226019523 KOMVNBGMQWOCJC-UHFFFAOYSA-N 218.300 2.470 0 40 BEAB O=C1CC[C@H](Cc2ccccc2)[C@H](C(=O)O)C1 53535 RPYASTUWLRHTAX-DGCLKSJQSA-N 232.279 2.299 0 40 BEAB biogenic CCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 84287 PWYLXRNBRJWEPH-SECBINFHSA-N 232.283 2.160 0 40 BEAB CC1=Nn2c(nnc2-c2ccccc2)SC1 160047 VBENHQXTZTWWDS-UHFFFAOYSA-N 230.296 2.275 0 40 BEAB Oc1ccc(Cc2cncc(O)c2)cc1 1242570 PGFKEBKMBUYISS-UHFFFAOYSA-N 201.225 2.084 0 40 BEAB CCOC(=O)/C=C/CCC(C)(C)COC(C)=O 1638765 HHLLAKBQNCVPSC-SOFGYWHQSA-N 242.315 2.475 0 40 BEAB CCC[C@@]1(C(=O)OCC)CCCCC1=O 1712655 JOPWDKAYSDOHPP-GFCCVEGCSA-N 212.289 2.479 0 40 BEAB CC(C)(C)NC[C@H](O)c1ccccc1F 1999470 XTJMTDZHCLBKFU-NSHDSACASA-N 211.280 2.247 0 40 BEAB in-man CCn1c(C)[n+](CC)c2cc(OC)ccc21 4045182 XEKMCSSXWMRIFA-UHFFFAOYSA-N 219.308 2.286 0 40 BEAB Cc1ccc([C@@H](N)CC(=O)OC(C)C)cc1 4219126 DZUYKKPEUUMDHS-LBPRGKRZSA-N 221.300 2.337 0 40 BEAB in-vitro CCOc1cc(CNC2CC2)ccc1OC 8254332 SAZWFPDWAFRISU-UHFFFAOYSA-N 221.300 2.346 0 40 BEAB Cc1cccc(NC2=NC[C@H](C)S2)n1 12462972 CMHNKMRKUZJKCO-QMMMGPOBSA-N 207.302 2.293 0 40 BEAB Cc1cccc(OCC(=O)Nc2ccccn2)c1 12527261 WFHWDPOZAJNYOR-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB CCC(C)(C)NC(=O)c1ccc(OC)nc1 12889926 NYDUDIOMSWGPHR-UHFFFAOYSA-N 222.288 2.009 0 40 BEAB CC(C)N(Cc1ccc(C(N)=O)cc1)C1CC1 12898363 BMLCBGOAZCPCJS-UHFFFAOYSA-N 232.327 2.158 0 40 BEAB CC(C)CNC(=O)c1ccc2nccnc2c1 12976552 OEEXNZYVBGSCAC-UHFFFAOYSA-N 229.283 2.016 0 40 BEAB Cc1cc(NC(=O)C2CCCCC2)n(C)n1 13596333 QUDVADNSBHWPKL-UHFFFAOYSA-N 221.304 2.247 0 40 BEAB CC(C)c1c(Cl)nc(N)nc1Cl 15021884 ZIGZBWFRRSIFAH-UHFFFAOYSA-N 206.076 2.489 0 40 BEAB CCOC(=O)/C=C(/COC)c1ccccc1 17420774 NNKULLAPSSXKKG-XFXZXTDPSA-N 220.268 2.280 0 40 BEAB Cc1cccc(NC(=O)c2ccncc2N)c1 22073273 AQOIJZXRPLDJDB-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCCCOc1ccc(C(N)=O)cc1OCC 33434497 KRDMZRKWFLSEMC-UHFFFAOYSA-N 237.299 2.363 0 40 BEAB CC(C)(CO)[C@@H](O)c1ccccc1Cl 34077558 QRVPERDYBIBNET-JTQLQIEISA-N 214.692 2.392 0 40 BEAB CCOC(=O)/C=C/c1c(OC)cccc1OC 34494015 QOORAWBVNOZALX-CMDGGOBGSA-N 236.267 2.280 0 40 BEAB Cc1n[nH]cc1CN[C@H]1CCCC[C@@H]1C 35274037 QJPOMRYDLHMVRE-CABZTGNLSA-N 207.321 2.386 0 40 BEAB Fc1ccc(F)c(CNC[C@H]2CCCO2)c1 37228405 JYDNFKSBICLXTD-LLVKDONJSA-N 227.254 2.233 0 40 BEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)C1CC1 40108278 IRCUBLHLRPNCNJ-JQWIXIFHSA-N 225.332 2.108 0 40 BEAB COCc1ccccc1NC(=O)NC1CC1 46033244 UPLYWGOXEOSMQM-UHFFFAOYSA-N 220.272 2.117 0 40 BEAB O=C(O)c1cccn(-c2cccc(Cl)c2)c1=O 49837731 OYPXNQLNCGIHMM-UHFFFAOYSA-N 249.653 2.189 0 40 BEAB Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)no1 51996177 YZNQZLISJYICKU-QWHCGFSZSA-N 236.315 2.126 0 40 BEAB Brc1cncc(C2=NCCC2)c1 71619201 JENATANFRDRZCY-UHFFFAOYSA-N 225.089 2.427 0 40 BEAB CC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 72208842 RUGHRUGUZBVUFM-QMMMGPOBSA-N 249.257 2.220 0 40 BEAB Cc1cc([C@H](C)N)cnc1Br 72221921 WRAYLSYRPBHAGQ-LURJTMIESA-N 215.094 2.172 0 40 BEAB CCCCc1cc(NC(=O)[C@@H]2CCCO2)on1 75092676 XTMKVZORLSCVEL-JTQLQIEISA-N 238.287 2.135 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CF 82163028 IHHSXCLECNNDPN-YUMQZZPRSA-N 203.257 2.259 0 40 BEAB O=C(O)c1ccc2nc(C3CC3)oc2c1 82381329 KJHWEGKKZFHJEP-UHFFFAOYSA-N 203.197 2.403 0 40 BEAB COc1cccc2c(CO)cc(C)nc12 82468555 VOGCMLOZDQQPOF-UHFFFAOYSA-N 203.241 2.044 0 40 BEAB O=C1OCCN1c1ccccc1Br 83257104 JFDLSCAXIFPXLW-UHFFFAOYSA-N 242.072 2.406 0 40 BEAB CCS(=O)(=O)c1ccc(F)cc1Cl 85223816 HIFDKQFTMWBLBZ-UHFFFAOYSA-N 222.668 2.273 0 40 BEAB Cc1cccc(NCC(C)C)c1C(N)=O 96453369 BAQOQWSPPGYQGU-UHFFFAOYSA-N 206.289 2.162 0 40 BEAB O=C(CC1CCCC1)N1CCSCC1 122227322 BNCVHXBMJUHACX-UHFFFAOYSA-N 213.346 2.142 0 40 BEAB C[C@@H]1NC(=O)c2cc(Br)ccc21 139869749 JVCAVLWZRHPLJI-YFKPBYRVSA-N 226.073 2.254 0 40 BEAB C[C@@H](NN)c1cccc(OC(F)(F)F)c1 161782713 JXGLOMPXCFZVRI-ZCFIWIBFSA-N 220.194 2.110 0 40 BEAB C[C@H](NN)c1ccc(F)cc1Br 161802384 FVVUOKLWYNNBNE-YFKPBYRVSA-N 233.084 2.113 0 40 BEAB CC(C)N(C(=O)c1ccccc1CN)C(C)C 222847260 FVYHZSXIUWMKGW-UHFFFAOYSA-N 234.343 2.404 0 40 BEAB COC(=O)NC[C@@H](OC)c1ccc(Cl)s1 225699656 SZWKHCMKJIRYEW-ZCFIWIBFSA-N 249.719 2.445 0 40 BEAB C[C@@H]1C[C@H]2[C@@H](CN)C[C@H](C(F)(F)F)C[C@H]2O1 225761785 FWJZILYJODZJNY-FHNUBNKASA-N 237.265 2.327 0 40 BEAB Cc1ccn(C(F)F)c(=O)c1Br 242548820 LUXLBHCJZBIGTQ-UHFFFAOYSA-N 238.031 2.314 0 40 BEAB CCN(CC)C(=O)NC(=S)c1ccccc1 408731378 KDCBRQIRTGYGIH-UHFFFAOYSA-N 236.340 2.414 0 40 BEAB Cc1cccc([C@@H](C)Nc2cc(=O)n(C)cn2)c1 656198382 SIYXNWLPOFJZIA-LLVKDONJSA-N 243.310 2.262 0 40 BEAB CCc1c(O)nc2cccc(OC)c2c1O 685936877 BIWUUUKGOUEJEU-UHFFFAOYSA-N 219.240 2.217 0 40 BEAB Nc1cc(-c2ncccc2C(F)(F)F)no1 1536088015 ZUEYRCIAIDUSTC-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 1565547737 NCOURYYIOSWESK-LOWVWBTDSA-N 249.310 2.228 0 40 BEAB CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O 32628142 BIYXUNJTZYRILK-LLVKDONJSA-N 231.292 2.155 0 40 BEAB biogenic,in-vitro COc1cccc(C)c1[C@@H](O)C[C@H]1CCCN1 1569338 MNGMPKYYSAWCQH-NEPJUHHUSA-N 235.327 2.179 0 40 BEAB CC(=O)c1[nH]c2ccccc2c1C(=O)O 3030524 SIFWJAMUHPEUPM-UHFFFAOYSA-N 203.197 2.069 0 40 BEAB NC(=S)Cc1c(F)cccc1Cl 41212406 MQGQGNYWIVIDEP-UHFFFAOYSA-N 203.669 2.308 0 40 BEAB in-vitro Cc1ccc(Br)cc1NC(N)=O 37368031 XWWYXFYFMSOZKF-UHFFFAOYSA-N 229.077 2.248 0 40 BEAB COc1ccc(/C(N)=C/C(=O)OC(C)(C)C)cc1 100664238 WIUMKJSFJIHMAS-XFXZXTDPSA-N 249.310 2.337 0 40 BEAB c1ccc2nc(NC[C@@H]3CCCO3)cnc2c1 26134678 DOJZWRZMQRRICS-JTQLQIEISA-N 229.283 2.221 0 40 BEAB CCCNC(=O)c1cnc2c(cnn2C(C)C)c1 57531729 ZJBNECOZEKIKCY-UHFFFAOYSA-N 246.314 2.152 0 40 BEAB O=C(NCC1CC1)c1cc2ccccc2[nH]1 27465507 HVPPFHLGPGKQQS-UHFFFAOYSA-N 214.268 2.308 0 40 BEAB CC(C)C(=O)NCc1ccccc1CN(C)C 58209915 MKLGPHGTVUERHI-UHFFFAOYSA-N 234.343 2.020 0 40 BEAB O=C(O)c1nc(-c2cccnc2)n2ccccc12 20222664 CFOQSFLDZDIDGT-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB Brc1ccc2c(c1)COCO2 20358094 PGJVSIQVFQXHFL-UHFFFAOYSA-N 215.046 2.316 0 40 BEAB CC(=O)Nc1cc(-c2csc(N)n2)ccc1O 3888947 HCYCFCBZPVGADV-UHFFFAOYSA-N 249.295 2.056 0 40 BEAB CC(C)C(=O)Nc1nonc1-c1ccc(F)cc1 5488033 BHURXPQQHFENOP-UHFFFAOYSA-N 249.245 2.470 0 40 BEAB Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1 8936736 GPBBHGHWCWJBHZ-UHFFFAOYSA-N 248.326 2.420 0 40 BEAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1C 7638243 VSZQRNCPHOZNRE-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB C[C@H]1C[C@@H]1COC(=O)c1ccnc(F)c1 71803625 OQXFFLQCCBMQSL-IONNQARKSA-N 209.220 2.034 0 40 BEAB CCc1ccc(CNCCc2n[nH]c(C)n2)cc1 95455751 JLRBGNVYDPFQNY-UHFFFAOYSA-N 244.342 2.008 0 40 BEAB CC(C)c1ccc2c(c1)C(=O)[C@@H](N)CCO2 62626078 HBMVBSCPNRYQBI-NSHDSACASA-N 219.284 2.103 0 40 BEAB CCCNC(=S)NC[C@H]1C[C@H]2CC[C@H]1C2 252892308 NFUAHOFRICDJBM-GARJFASQSA-N 226.389 2.297 0 40 BEAB NCc1ccc(NCc2ccccc2)nc1 71518860 BREABVHQHCVVGF-UHFFFAOYSA-N 213.284 2.152 0 40 BEAB COC(=O)c1cccc(-c2ncccc2O)c1 65339317 FRKYLTKWTOKMAF-UHFFFAOYSA-N 229.235 2.241 0 40 BEAB COC(=O)CC(=O)Cc1ccccc1Cl 36532659 DQXLTHCGTUMQSA-UHFFFAOYSA-N 226.659 2.015 0 40 BEAB CC[C@@H](N)c1cnc(NC2CC2)cc1C 72223819 XFXJRTAPNTUOPL-LLVKDONJSA-N 205.305 2.374 0 40 BEAB CCC(CC)C(=O)Nc1nc(C(C)C)nn1C 78912870 QAYUSRZWJPIPBB-UHFFFAOYSA-N 238.335 2.313 0 40 BEAB CCOc1ncccc1[C@H]1CCCCN1 72211852 PSKVIWVRHQYDEN-LLVKDONJSA-N 206.289 2.295 0 40 BEAB COCc1ccc(C(=O)O[C@H](C)COC)cc1 73834556 BTMQLLLKJGEJNS-SNVBAGLBSA-N 238.283 2.025 0 40 BEAB Cc1cc(C)c(N(C)CC(=O)O)c(C)c1 49813909 JQDKYVYTNJCRHI-UHFFFAOYSA-N 207.273 2.133 0 40 BEAB CN(C(=O)c1cc(N)cc(N)c1)c1ccccc1 40292374 OKAVZPXZGXXLHJ-UHFFFAOYSA-N 241.294 2.128 0 40 BEAB CCNc1cc(Cl)ncc1C(=O)OCC 88346207 DPLDFGSSJKFWNU-UHFFFAOYSA-N 228.679 2.344 0 40 BEAB Cc1ccccc1OCCc1nnc(N)s1 85343318 CLAWLTQCJYUAHN-UHFFFAOYSA-N 235.312 2.050 0 40 BEAB COC(=O)c1ccc(C(=O)c2cccc(F)c2)o1 85394304 LAKKMTGHWJUUBH-UHFFFAOYSA-N 248.209 2.436 0 40 BEAB Cc1nc2ncnc(N3C[C@@H](C)C[C@H](C)C3)c2[nH]1 41123972 DZSKCVMHJWQCMH-IUCAKERBSA-N 245.330 2.144 0 40 BEAB OC[C@@H](c1ccccc1F)N1CCCCC1 41242356 PHQODCTZVMCCMY-ZDUSSCGKSA-N 223.291 2.345 0 40 BEAB CNC(=O)c1cc(Cl)c(Cl)cc1OC 195534751 PUSIHMGJCOQLDB-UHFFFAOYSA-N 234.082 2.362 0 40 BEAB O=C(Nc1ccccc1O)C1(CF)CCC1 335515607 PDRZYOBHJANRJB-UHFFFAOYSA-N 223.247 2.471 0 40 BEAB CNCC1(COc2ccccc2)CCC1 96515662 WMCQDKBVPWVCPI-UHFFFAOYSA-N 205.301 2.455 0 40 BEAB CCOC[C@H](C(=O)O)C1CCCCC1 96526852 YIRRHJUUBPMCTO-JTQLQIEISA-N 200.278 2.304 0 40 BEAB Nc1nc(-c2ccc(Cl)nc2)cs1 95748770 YEHPGCHIUQGCTN-UHFFFAOYSA-N 211.677 2.441 0 40 BEAB C[C@@H](OC1CCCCC1)C(=O)N1CCCC1 95397171 PBDXDKXDZAMASC-LLVKDONJSA-N 225.332 2.347 0 40 BEAB O=C(O)c1coc(-c2c(F)cccc2F)n1 51075346 MEFTWLJTJDOLHS-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB COc1ccccc1C(=O)C[C@@H](C)CC(=O)O 95634446 VXHKRCVQTMREDO-SECBINFHSA-N 236.267 2.379 0 40 BEAB CCN(CC1CC1)c1ncnc2[nH]ccc12 69797883 MFZOQPJCTBMODU-UHFFFAOYSA-N 216.288 2.194 0 40 BEAB Clc1nc2nccc(Br)c2[nH]1 95215347 YZEBUIHVRGYWIF-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB C[C@@H](N[C@](C)(CO)C1CC1)c1ccco1 97045733 IEXVTNOINUVLHD-BXKDBHETSA-N 209.289 2.091 0 40 BEAB COc1ccc(OC[C@@H](N)C(C)C)cc1 12183395 BWZWNOWARPQHSO-GFCCVEGCSA-N 209.289 2.057 0 40 BEAB CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 13011745 JWMDRRQNALENEU-CABZTGNLSA-N 246.310 2.031 0 40 BEAB CC(=O)NC12C[C@H]3C[C@H](CC(C)(C3)C1)C2 17020024 SANVSQCVSVDXSG-MPEURRAXSA-N 207.317 2.481 0 40 BEAB NN[C@H](Cc1ccccc1)c1ccccc1 19488836 XUCQFCBDOKCZOM-CQSZACIVSA-N 212.296 2.434 0 40 BEAB OC[C@@H]1CCCN1c1ccc(C(F)(F)F)nc1 892333439 JVWBOKRTWADWEV-VIFPVBQESA-N 246.232 2.062 0 40 BEAB Cc1nc2c(c(Sc3nccn3C)n1)CCC2 1565522090 PZLKSEXSKDVNBR-UHFFFAOYSA-N 246.339 2.158 0 40 BEAB CS[C@H](C)C(=O)Nc1ccc(Cl)cn1 40523487 DYWKOUKYZVZDDY-ZCFIWIBFSA-N 230.720 2.425 0 40 BEAB C/C=C/C(=O)OCC(=O)Nc1c(C)cccc1C 3389962 SDZLXAFCBPRRCW-GQCTYLIASA-N 247.294 2.361 0 40 BEAB CC1(C)C2=CCCC(=O)[C@@]2(C)CC[C@@H]1O 5742381 VPZIXECAMMBHLM-GWCFXTLKSA-N 208.301 2.463 0 40 BEAB CN(C)C(=O)CSCc1ccccc1 6419425 YCFBYEZFLRYTRE-UHFFFAOYSA-N 209.314 2.008 0 40 BEAB CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7374484 BCASIEUPUHOWAA-UHFFFAOYSA-N 241.356 2.137 0 40 BEAB Cc1cc(C)c2c(=O)cc(C(=O)O)oc2c1 11567737 FIJDOWWKDIQMDA-UHFFFAOYSA-N 218.208 2.108 0 40 BEAB Nc1ccc(N2CCCC2=O)c(Cl)c1 12505142 HFOLSRFQZMMEAA-UHFFFAOYSA-N 210.664 2.049 0 40 BEAB in-vitro Cc1c(C=O)c(-c2ccccc2)nn1C 13483709 OJOQXCIFXFOWAZ-UHFFFAOYSA-N 200.241 2.208 0 40 BEAB Cc1cccc(COC2CCNCC2)c1 14631883 LMNNVNOBSCYNBX-UHFFFAOYSA-N 205.301 2.264 0 40 BEAB in-vitro CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 15061766 IQUIXRQHCOLTGL-UHFFFAOYSA-N 216.284 2.421 0 40 BEAB Nc1ccccc1CC(=O)OC1CCCC1 20155674 SXLRMCSKCSLPHA-UHFFFAOYSA-N 219.284 2.297 0 40 BEAB Nc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1 20157142 QYJNPCULYBHFIU-JTQLQIEISA-N 240.690 2.040 0 40 BEAB C[C@@H]1c2ccc(O)cc2[C@]2(C)CCN(C)[C@H]12 32119722 YPKISZQTKHQMFL-FZQKWOKYSA-N 217.312 2.471 0 40 BEAB COc1ccc(Br)c(NC(C)=O)c1 34305232 LQVIAWMRGFIPFM-UHFFFAOYSA-N 244.088 2.416 0 40 BEAB NC1CCN(c2nc3ccccc3s2)CC1 34432591 PZOCPPJEPGKJJI-UHFFFAOYSA-N 233.340 2.224 0 40 BEAB C[C@@H](CC(=O)N1CCC(O)CC1)CC(C)(C)C 35611816 GGYQZOYDEKJSOK-NSHDSACASA-N 241.375 2.432 0 40 BEAB CCN(CCO)c1ccc(C(F)(F)F)cc1N 37897168 ZYUXJRMBKYSXMP-UHFFFAOYSA-N 248.248 2.106 0 40 BEAB Oc1cccc(CNCC[C@@H]2CCCO2)c1 37988676 QGGWUNXRGPPVSD-ZDUSSCGKSA-N 221.300 2.051 0 40 BEAB N[C@H]1CCCc2nc(-c3ccccc3)ncc21 40449132 ZTXURZVDGVBCIG-LBPRGKRZSA-N 225.295 2.480 0 40 BEAB CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 40449150 QMXDBAIQSFJAPO-NXEZZACHSA-N 228.336 2.042 0 40 BEAB O=C(NCc1ccc(F)cc1)c1cscn1 41499251 OORPGCFUAZJETN-UHFFFAOYSA-N 236.271 2.212 0 40 BEAB Cc1csc(CNC(=O)c2ccccc2)n1 41538638 DYRGZRFTEQIPJH-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB NCCCc1ccccc1OC(F)F 43559416 ILVNWYAHXHDQNO-UHFFFAOYSA-N 201.216 2.179 0 40 BEAB O=c1ccc(-c2nc(-c3ccccc3)no2)c[nH]1 45918703 VROJWVLPEOLYDV-UHFFFAOYSA-N 239.234 2.092 0 40 BEAB CCONC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 48324724 PLDKEUMNXBDNMY-UWVGGRQHSA-N 211.305 2.293 0 40 BEAB COc1ccc(CN2CCO[C@@H](C)C2)cc1F 54172155 LVBXPUAOGCBZSA-JTQLQIEISA-N 239.290 2.055 0 40 BEAB CNC[C@H]1C[C@H]1c1cccc(OC)c1OC 54588722 VGQQRYRFCGMFFP-MWLCHTKSSA-N 221.300 2.027 0 40 BEAB CNCCCNCc1cccc(Cl)c1 57362398 WPVQGTABXWRCIN-UHFFFAOYSA-N 212.724 2.039 0 40 BEAB O=C(NCc1cc2ccccc2[nH]1)NCC1CC1 58210216 UTMWOHIYNOGCBA-UHFFFAOYSA-N 243.310 2.377 0 40 BEAB Cc1ccc(CCNC(=O)C2CC2)c(C)c1 65572509 MRYISHCVWRZTPY-UHFFFAOYSA-N 217.312 2.372 0 40 BEAB CC(C)Cc1ccc([C@H](CN)N(C)C)cc1 71522716 UJMFIEQKFTVCQD-AWEZNQCLSA-N 220.360 2.447 0 40 BEAB in-vitro C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCO2)C1 79069234 ZWXNZDNOVGQVNM-MDZLAQPJSA-N 225.332 2.250 0 40 BEAB Cc1ccc(Br)cc1C(N)=S 83256243 KQCQDFMBZOTCNT-UHFFFAOYSA-N 230.130 2.392 0 40 BEAB CCOc1ccc(CCC(=O)O)c(OC)c1 85393435 YCCPKMKVMVUNME-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB CCOP(=O)(OCC)[C@](C)(N)C(F)(F)F 91252800 IALXMTQFOKSSCM-LURJTMIESA-N 249.169 2.490 0 40 BEAB C[C@H](O)c1c[nH]c2ccc(Cl)cc2c1=O 95534980 ACHKCCUBFQCPFM-LURJTMIESA-N 223.659 2.235 0 40 BEAB Cc1noc(C)c1[C@H](C)CNc1ncccn1 95973079 DGKOHINNKKJFNI-MRVPVSSYSA-N 232.287 2.297 0 40 BEAB Cc1nccc(N[C@H]2CCCCC[C@H]2CO)n1 97014140 YOYHOGQSPJEWKD-RYUDHWBXSA-N 235.331 2.138 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](O)C1CCCC1 143541250 OCLVPGXOBZWFGM-SNVBAGLBSA-N 229.320 2.062 0 40 BEAB CC(C)Oc1cc(CO)c(Cl)cn1 166509262 NZDDREODZBZDCD-UHFFFAOYSA-N 201.653 2.015 0 40 BEAB COC(CN1CC[C@@H](c2cccc(C)c2)C1)OC 225452299 TVZFKHABADJPKX-CQSZACIVSA-N 249.354 2.403 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](CO)[C@@H]12 225761501 VQLQJLNARBICNV-SOYHJAILSA-N 238.249 2.218 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@@H]1c1cccc(F)c1 257197787 JEAZYSLWBMPPRO-VXGBXAGGSA-N 237.274 2.039 0 40 BEAB CC(C)(C)[C@@H]1COC(c2ccc(F)cn2)=N1 1988188150 YVULGYITAFNKKF-JTQLQIEISA-N 222.263 2.412 0 40 BEAB Cc1cccc(NC(=O)C(F)(F)F)c1C(=O)O 92508 DMUDYGKPQIEHPM-UHFFFAOYSA-N 247.172 2.194 0 40 BEAB C[C@@H]1CCc2c(sc3ncnc(N)c23)C1 129173 OHTRNARYCIBLLU-ZCFIWIBFSA-N 219.313 2.398 0 40 BEAB CCCc1cc(C(=O)N2CCC(C)CC2)[nH]n1 29575180 ICEDOLOKLRTVGY-UHFFFAOYSA-N 235.331 2.234 0 40 BEAB Cc1ccnc(N(C)CCN2CCCCC2)c1 1602384 FTMMMZOCLMTVPM-UHFFFAOYSA-N 233.359 2.312 0 40 BEAB CSc1nnc(SC)c(SC)n1 1720976 TXAXULTUIXLGNB-UHFFFAOYSA-N 219.360 2.037 0 40 BEAB CN1c2ccccc2[C@H]2C(=O)CCC[C@@H]21 2569988 MOVJGLJCNVYGBE-WCQYABFASA-N 201.269 2.342 0 40 BEAB CC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 102251053 MGIPVOLWDXMUMG-RWMBFGLXSA-N 219.328 2.457 0 40 BEAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)C1CC1 41298933 PQEYCAAWPRJKPV-LBPRGKRZSA-N 247.294 2.037 0 40 BEAB C[C@H](NC(=O)C1CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100212968 XUKIOVWVGJVCDC-LUTQBAROSA-N 207.317 2.337 0 40 BEAB COC(=O)c1ccc(NC(C)=O)cc1Cl 34448035 KVPHKHUNUFCQDG-UHFFFAOYSA-N 227.647 2.085 0 40 BEAB CC(=O)N1CCC2(CCNCC2)c2ccccc21 66349238 GTNLOWPGCKMFSM-UHFFFAOYSA-N 244.338 2.064 0 40 BEAB CN(CCc1ccncc1)Cc1cscn1 63590735 YHPGBLKQTLNXEE-UHFFFAOYSA-N 233.340 2.213 0 40 BEAB COC(=O)c1ccc(Br)c(C)c1N 61674970 FOCWGRWJOKQCAE-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB O=c1oc2c(Cl)ccc(O)c2s1 6645940 LAGZKBZFYONWMY-UHFFFAOYSA-N 202.618 2.214 0 40 BEAB CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 19477038 SOSVVNGFPXKABB-AWEZNQCLSA-N 246.354 2.335 0 40 BEAB Cc1cccc(COc2ncnc3[nH]cnc23)c1 5818496 FCQCBFOJZZPYMG-UHFFFAOYSA-N 240.266 2.240 0 40 BEAB NS(=O)(=O)c1cc2cc(Cl)ccc2s1 81037384 SLZNTHJORUXGAZ-UHFFFAOYSA-N 247.728 2.202 0 40 BEAB Cc1nc(C(=O)OC[C@H]2CCCCO2)cs1 69315094 QJYJRUWZWXMCHL-SECBINFHSA-N 241.312 2.177 0 40 BEAB CN1C(=N)N=C(O)/C1=C\c1ccc(F)cc1 9332405 AHUGKSXWZCATKY-RMKNXTFCSA-N 219.219 2.003 0 40 BEAB O=C1CCN([C@H]2CCCc3ccccc32)C(=O)N1 94204314 LFDJNKBFDNEADE-LBPRGKRZSA-N 244.294 2.006 0 40 BEAB CCC(CC)S(=O)(=O)CC1CCOCC1 95398421 GKVCKARCOCHLSZ-UHFFFAOYSA-N 234.361 2.016 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89873179 ZPEWUQAIHOXBNF-QWHCGFSZSA-N 211.264 2.429 0 40 BEAB Cn1nc(C(=O)O)c(-c2ccccc2)c1Cl 218296579 ZNBVVJKTFISADC-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB O=CN1CCCC[C@H]1c1cccnc1Cl 72211529 AUPDGQDOHOFIQA-JTQLQIEISA-N 224.691 2.418 0 40 BEAB c1cc([C@@H]2CCCN2)nc(Nc2nccs2)n1 72376739 RLCXDZNOCWUVQK-QMMMGPOBSA-N 247.327 2.101 0 40 BEAB CCN(Cc1ccc(C)cc1)C(=O)[C@@H](N)C(C)C 79420386 ZRSWBHXMRYYLIO-AWEZNQCLSA-N 248.370 2.327 0 40 BEAB CN1C(=O)[C@H](N)c2ccccc2-c2ccccc21 42684429 SWCIHHYNMAJVKX-CQSZACIVSA-N 238.290 2.330 0 40 BEAB Cc1ccc([C@H](C(=O)O)N2CCCC2)s1 41677058 CGJOFDWNSPHLRC-SNVBAGLBSA-N 225.313 2.278 0 40 BEAB CCCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 41194519 XIYDXOVBCWBWIY-VXGBXAGGSA-N 225.332 2.347 0 40 BEAB CC(C)CS(=O)(=O)c1cccc(F)c1 87113650 NINBJNNWIIEIAW-UHFFFAOYSA-N 216.277 2.255 0 40 BEAB Cn1nc(CCC2CCCCC2)c(N)c1N 96527794 LFMOJXINDMVAMC-UHFFFAOYSA-N 222.336 2.097 0 40 BEAB CC(C)CN[C@@H]1c2ccccc2[C@@H]2CNC[C@H]12 96157376 VFTINDXPLPKLQE-SOUVJXGZSA-N 230.355 2.290 0 40 BEAB Cc1occc1C(=O)Nc1ccncc1F 95975733 NMHGMXVNFPBDPE-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB CC(C)Cc1nc([C@H](N)Cc2ccccc2)n[nH]1 95534916 RCIFGFJVPUZILB-GFCCVEGCSA-N 244.342 2.246 0 40 BEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(C)=O)(C3)C2 96194519 DBYLPWRGOWUBGW-VTXSZYRJSA-N 235.327 2.051 0 40 BEAB CCN1C(=O)/C(=C/c2ccccc2)N=C1C 5012659 OLIRXPPJQLDAPE-XFXZXTDPSA-N 214.268 2.308 0 40 BEAB CCOC(=O)/C=C(\CC(=O)O)Nc1ccccc1 17020493 RRDNBSNQQVBIHI-PKNBQFBNSA-N 249.266 2.020 0 40 BEAB O=C1CCC(c2cccc3ccccc23)=NN1 19894547 NFENTGMJXUFJQO-UHFFFAOYSA-N 224.263 2.454 0 40 BEAB C[C@@H](C(=O)O)[C@]1(O)CCCCc2ccccc21 1594152 VYWMGWNCUHHHEM-IINYFYTJSA-N 234.295 2.321 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cnn(C)c1 32537882 KZHNUUCEZWRKEN-KPYDUXRZSA-N 247.342 2.128 0 40 BEAB CCCCC(=O)Nc1ccc(F)c(C(N)=O)c1 33065232 ZWTHKFWEHSLMID-UHFFFAOYSA-N 238.262 2.053 0 40 BEAB CCOc1ccc(N[C@@H]2CCCCNC2=O)cc1 20040341 FIDRKMVDSREOHE-CYBMUJFWSA-N 248.326 2.166 0 40 BEAB C[n+]1ccc(COC(=O)Nc2ccccc2)cc1 20031450 BGVFQLWAFNSASC-UHFFFAOYSA-O 243.286 2.260 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(CC(=O)O)C2 100098268 HBWSRVTVYLQCPC-AXTRIDKLSA-N 212.289 2.038 0 40 BEAB biogenic Clc1nc(Cl)nc(N2CCCCC2)n1 88743 MUEJUOUFUTUSED-UHFFFAOYSA-N 233.102 2.169 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1 40477906 MSIIEPWZHCAUQE-LBPRGKRZSA-N 233.311 2.164 0 40 BEAB CN(C)C(=O)COc1cccc2ccccc12 163831 IYNGWIYVZLVMEH-UHFFFAOYSA-N 229.279 2.307 0 40 BEAB COc1ccc(NC(C)=O)cc1-c1nnc(C)o1 101206479 LPNZAIQZYVKPAG-UHFFFAOYSA-N 247.254 2.012 0 40 BEAB CCc1cc2ccccc2nc1SCC(N)=O 413283 PIQGRZKOLARLOH-UHFFFAOYSA-N 246.335 2.375 0 40 BEAB COC(=O)/C=C/SC(=S)[C@H]1CCCC1=O 1567296 ILXCOJDMKHJTNG-XPPMVYLVSA-N 244.337 2.103 0 40 BEAB CO[C@H](C)CCOC(=O)c1ccccc1 2042327 RUGMGYXXKKRBRJ-SNVBAGLBSA-N 208.257 2.268 0 40 BEAB O=C(O)/C=C/c1cccc2c1OC(F)(F)O2 2504984 IHYKUWCTOFZJDZ-SNAWJCMRSA-N 228.150 2.106 0 40 BEAB Cc1nc2cc(C)c3c(nc(N)n3C)c2nc1C 2558170 MCFPPHKNJUOYBX-UHFFFAOYSA-N 241.298 2.024 0 40 BEAB in-vitro c1ccc2c(c1)SCC[C@H]2NC1=NCCO1 5941610 YEGCWAQTPNEBHN-SNVBAGLBSA-N 234.324 2.199 0 40 BEAB CCC[C@H](Nc1ccc(F)cc1)C(=O)O 8730660 DNXZZQMMWNRWTG-JTQLQIEISA-N 211.236 2.491 0 40 BEAB CCOCCCOc1ccc(C=O)cc1OC 8731427 VKJLAJNGQBDPPY-UHFFFAOYSA-N 238.283 2.313 0 40 BEAB CCC(=O)Nc1onc2c1C[C@@H](C)CC2 11917212 CJGBICUAMTXNIG-ZETCQYMHSA-N 208.261 2.148 0 40 BEAB CSc1nc(NC(=O)c2ccc(C)cc2)n[nH]1 16292064 JJAJOASWTVUSRJ-UHFFFAOYSA-N 248.311 2.087 0 40 BEAB C[C@H](NC(=O)c1cccnc1)C(C)(C)C 16957972 UWGJBMHDCRFLHZ-VIFPVBQESA-N 206.289 2.246 0 40 BEAB CCOC(=O)Nc1ccc(C(=O)O)cc1C 19397109 OSAZSIQBBLBOBE-UHFFFAOYSA-N 223.228 2.262 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCCO 20187824 KAQXLSAOMMGBQJ-UPJWGTAASA-N 213.365 2.419 0 40 BEAB O=C(O)c1ccccc1Cn1cccc1 20447493 KGGOAEPZQXPCHC-UHFFFAOYSA-N 201.225 2.235 0 40 BEAB COc1cc(CN)ccc1OCC(F)(F)F 22145320 GOMQIGOCZXUMNF-UHFFFAOYSA-N 235.205 2.095 0 40 BEAB CCOc1ncccc1NC(=O)c1ccoc1 27580966 DUQQJNZJLRUBBE-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB CC(C)c1cc(C(=O)O)nc(N2CCCCC2)n1 32104455 XTMRPIYTWKXHTF-UHFFFAOYSA-N 249.314 2.289 0 40 BEAB COc1ncccc1CNC(=O)CC1CCCC1 32787212 FEOZCWNRCMSSKT-UHFFFAOYSA-N 248.326 2.287 0 40 BEAB CC[C@H](C)NC(=O)CSc1ccccn1 32910051 ZRIFGOAUBNLCOT-VIFPVBQESA-N 224.329 2.088 0 40 BEAB c1ccc2oc(NCc3cc[nH]n3)nc2c1 40444296 NGTAFDARCJNLEY-UHFFFAOYSA-N 214.228 2.163 0 40 BEAB CCOc1cc(N)c(N)c(Br)c1 40544970 VVPJYOAHLFFDQG-UHFFFAOYSA-N 231.093 2.012 0 40 BEAB FC(F)(F)c1ccc(OC[C@@H]2CCNC2)nc1 42774216 KJOILLXQAMNBDA-MRVPVSSYSA-N 246.232 2.089 0 40 BEAB Cc1nc(NC(=O)NCc2ccco2)oc1C 49203643 JPCYLASZIAADFM-UHFFFAOYSA-N 235.243 2.206 0 40 BEAB C[C@H](c1cccc(Cl)c1)N(C)CCN 54416973 OFRYUUCOXKWPLM-SECBINFHSA-N 212.724 2.292 0 40 BEAB Cc1nccn1C(F)(F)Br 57354533 YKLAHVYCXBUPSZ-UHFFFAOYSA-N 211.009 2.093 0 40 BEAB CCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1 58109899 BSFNLPBTWAKWNO-NSHDSACASA-N 234.343 2.210 0 40 BEAB Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C 58290933 BWOJCSAHYVCLNS-GXFFZTMASA-N 249.358 2.379 0 40 BEAB O[C@@H]1CN[C@@H](c2ccc(C(F)(F)F)cc2)C1 69971042 FPTFXGDKGHRBMJ-VHSXEESVSA-N 231.217 2.101 0 40 BEAB in-vitro COc1cncc(-c2cccc3c2CCNC3)c1 71715012 AUQAXOSXMVTLAH-UHFFFAOYSA-N 240.306 2.403 0 40 BEAB CSc1ccc([C@@H]2CCCCN2C=O)cn1 72216913 VNFZFRDPGKUDPR-NSHDSACASA-N 236.340 2.487 0 40 BEAB Cc1cc(N)ncc1[C@H]1CCCCN1C 72218515 LIDDDKNOHGGGSW-LLVKDONJSA-N 205.305 2.129 0 40 BEAB CCOc1nsnc1-c1cccc(N)c1 72226414 HFHJHYDFIWHLNG-UHFFFAOYSA-N 221.285 2.186 0 40 BEAB CCN(CC(=O)O)c1ccc(C)c(C)c1 76583971 RDNGANKHMWNKDO-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB Cc1cc(NCc2ccc3c(c2)OCCO3)no1 83374925 SWHUWCJMSMGUSK-UHFFFAOYSA-N 246.266 2.366 0 40 BEAB COc1ccc(C2([C@H](C)O)CC2)cc1F 84390282 KOKMBPRXOCBWOT-QMMMGPOBSA-N 210.248 2.247 0 40 BEAB Cc1cc(F)cc(NCc2ncc[nH]2)c1 85729504 RACUBWYKQGGKPN-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB O=C(O)CSCC(=O)c1cccc(Cl)c1 95634152 JNVPHDLSMQIBSN-UHFFFAOYSA-N 244.699 2.341 0 40 BEAB CO[C@H](CNC(=O)C1CC1)c1ccc(C)s1 96104632 VATXPNOKIIDBGD-SNVBAGLBSA-N 239.340 2.270 0 40 BEAB Cc1cc(F)ccc1C(=O)Nc1cnccn1 97085158 BZHLWIVQCBVRPT-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CN1CCOCC1 97164464 DDVTUKKNNUWHBI-OLZOCXBDSA-N 209.333 2.311 0 40 BEAB Cc1ccc(F)cc1Cn1ccc([C@@H](C)O)n1 187227516 MBGOUIHXIMLCTL-SNVBAGLBSA-N 234.274 2.432 0 40 BEAB c1cc(C[C@H]2CCNC2)nc(-c2nccs2)c1 205690995 GQUMRYBZDRUMNH-SNVBAGLBSA-N 245.351 2.357 0 40 BEAB c1cc([C@@H]2CCCCN2C2CCOCC2)[nH]n1 205701063 FKZSPYBZLWPCSO-ZDUSSCGKSA-N 235.331 2.116 0 40 BEAB CCn1cc(C=O)c2cc(C(=O)OC)ccc21 228946579 GRYVNZRQIXKHQB-UHFFFAOYSA-N 231.251 2.260 0 40 BEAB CN(C)C(=O)c1ccnc(OC2CCCC2)c1 252507818 WUIFZZOZTQUKKQ-UHFFFAOYSA-N 234.299 2.105 0 40 BEAB Cc1c(NCc2cnn(C(C)C)c2C)cnn1C 256050076 CNUWAQQKPCMNEE-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](OCC2CC2)C1 390832020 WQQFHYYRBKICTJ-ZIAGYGMSSA-N 249.354 2.370 0 40 BEAB Cc1csc(O[C@H]2CCC[C@H]2N(C)C)n1 585651245 BMAPRCKARMANGY-ZJUUUORDSA-N 226.345 2.313 0 40 BEAB Cc1cc(C)n(-c2cc(C3CC3)ncn2)n1 710093489 FVFVRNHWKIKVOM-UHFFFAOYSA-N 214.272 2.157 0 40 BEAB Cc1cc2cc3n(c2nn1)N=C(Cl)CC3 164057 UHUWWMCDORAACJ-UHFFFAOYSA-N 220.663 2.086 0 40 BEAB COc1ccc(OC)c(C(=O)c2ccccn2)c1 386905 UTUZWWABOJAYHY-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB O=C(O)c1ccc(NC(=O)c2cccnc2)cc1 517333 LWFBUVHQVCTCKN-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB biogenic C[C@@H]1CCC(=O)CN1Cc1ccccc1 1582181 KZOQTVBEJPFESD-LLVKDONJSA-N 203.285 2.240 0 40 BEAB CNC(=O)[C@H](c1ccccc1)C(F)(F)F 1728930 ZIZIXOJZMZXSQC-QMMMGPOBSA-N 217.190 2.079 0 40 BEAB CCCC[C@@](CC)(SCCN)C(=O)O 2035618 JGFCDCONYCUWDR-SNVBAGLBSA-N 219.350 2.102 0 40 BEAB O=C(c1ccccn1)c1cccnc1Cl 2392667 ORBUBUDJPCHIAY-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB Cc1ccc([C@H]2NCCn3cccc32)cc1 2455016 JIDRGEGDAHDJFW-CQSZACIVSA-N 212.296 2.489 0 40 BEAB CC(C)N(C[C@H](O)C(F)(F)F)C(C)C 4050531 JRYKIVPIIVAGDW-QMMMGPOBSA-N 213.243 2.028 0 40 BEAB CN(C)C(=O)Nc1c[nH]c2ccccc12 5299767 JLGWSLQGZYDRMS-UHFFFAOYSA-N 203.245 2.261 0 40 BEAB CC(C)c1ccc2[nH]c(=O)c(C=O)cc2c1 11956139 SZBUOWMIMRTGSQ-UHFFFAOYSA-N 215.252 2.464 0 40 BEAB Fc1cccc(COC[C@H]2CCCNC2)c1 14631103 JAUVDOWETJOQNC-LBPRGKRZSA-N 223.291 2.342 0 40 BEAB FC(F)(F)c1cccc(O[C@H]2CCNC2)c1 14632191 VJGTZTLTQJKGEV-JTQLQIEISA-N 231.217 2.446 0 40 BEAB in-vitro Cc1cnc(C)c([C@@H](O)c2ccccc2)n1 17419500 ASBAEWOKLIZTGV-ZDUSSCGKSA-N 214.268 2.175 0 40 BEAB CN(Cc1ccccc1)c1ncccc1N 19396109 JUPIBUVTFBCMRW-UHFFFAOYSA-N 213.284 2.300 0 40 BEAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)C 19934774 WEDIVKAQVRQHPG-LBPRGKRZSA-N 221.300 2.241 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21704122 MYZYTWQMIGKQLN-LBPRGKRZSA-N 247.294 2.141 0 40 BEAB O=c1[nH]cncc1Oc1ccc(Cl)cc1 25984400 NXRVRAPTFGUKOO-UHFFFAOYSA-N 222.631 2.216 0 40 BEAB COC(=O)c1cc(Nc2ccccc2)ncn1 27986033 MKCUCODHXPXLMO-UHFFFAOYSA-N 229.239 2.007 0 40 BEAB Cc1ccc(CN(C)C(=O)c2ccoc2)o1 32841425 RRQDBIPLZQJCJZ-UHFFFAOYSA-N 219.240 2.453 0 40 BEAB CC[C@@H](C)NC(=O)c1cn2c(C)cccc2n1 32873704 MGVODWSFIFOTDT-SECBINFHSA-N 231.299 2.171 0 40 BEAB OCc1cc(Cl)ccc1OC[C@H]1CCCO1 36895116 NPCUCUOERFRAIH-LLVKDONJSA-N 242.702 2.390 0 40 BEAB NCc1ccc(Oc2cccnc2)c(F)c1 36904288 JMUZAAYESOWFSI-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB C1=C2CCCN[C@@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 43704793 SKOLRLSBMUGVOY-YJNKXOJESA-N 232.371 2.169 0 40 BEAB COCCN(Cc1ccco1)C(=O)C1CCC1 45417056 BKOZLCMJZLAPOP-UHFFFAOYSA-N 237.299 2.055 0 40 BEAB CC/C=C(\C)C(=O)NCCCn1nc(C)cc1C 46041446 APJQMUFNBLOKPS-YRNVUSSQSA-N 249.358 2.363 0 40 BEAB Cc1noc([C@@H](C)N2CCCCCC2)n1 65539230 LAOSOOZLUQSHSB-SECBINFHSA-N 209.293 2.315 0 40 BEAB CCCC[C@@H]1CCC[C@@H]1NC(=O)COC 68710554 OUJYZIBTFZBTPL-MNOVXSKESA-N 213.321 2.108 0 40 BEAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccncc2)c1 69453451 XPQZZFUTIBSXCA-STQMWFEESA-N 244.342 2.326 0 40 BEAB CC[C@H](N)C1CCN(C(=O)OC(C)(C)C)CC1 72208674 PMAWBAFHGHQTEJ-NSHDSACASA-N 242.363 2.371 0 40 BEAB O[C@@H](C[C@@H]1CCCN1)c1ccc(F)cc1 82164143 UTJNCRYNTQHBFX-RYUDHWBXSA-N 209.264 2.001 0 40 BEAB in-vitro CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)NC1 82299878 VRIDQIGLSYHFCH-CHWSQXEVSA-N 233.311 2.290 0 40 BEAB O=C1CCN(Cc2ccccc2)CC12CC2 84231982 MMLMUYMJHYCUJG-UHFFFAOYSA-N 215.296 2.242 0 40 BEAB O=C(C[C@H]1C=CCC1)NC[C@@H]1CCCS1 89598145 KLRJGAWAKTXEJR-QWRGUYRKSA-N 225.357 2.355 0 40 BEAB C[C@@H](NC[C@H]1CCCNC1)c1ccc(F)cc1 95147661 QOLAVFJYNHHXEP-NEPJUHHUSA-N 236.334 2.476 0 40 BEAB CCOC(=O)[C@H]1CCC[C@@H]1NC1CCCC1 95919676 LXARRZSKDGTANC-RYUDHWBXSA-N 225.332 2.250 0 40 BEAB COC[C@H](C)Nc1cccc(-c2noc(C)n2)c1 97162434 UTRXUJOGZRORMT-VIFPVBQESA-N 247.298 2.492 0 40 BEAB Cc1cc(C)nc(N(C=O)c2cccs2)n1 98044024 YLUQZGJQDILQGP-UHFFFAOYSA-N 233.296 2.449 0 40 BEAB Cc1c(C(=O)O)cc(Cl)nc1Cl 98091101 TWYNDQHXDSFICB-UHFFFAOYSA-N 206.028 2.395 0 40 BEAB O=C(Nc1ccc(F)cc1F)c1cnco1 169960951 SKDSGWAECJLTGW-UHFFFAOYSA-N 224.166 2.205 0 40 BEAB O=C(O)C1(O)CCC(Cc2ccccc2)CC1 199784675 WQHZTYBJSDYDDB-UHFFFAOYSA-N 234.295 2.235 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2OC[C@@H](C)[C@@H]21 225760408 XUJUJWPNVYKNBP-CHWFTXMASA-N 212.289 2.001 0 40 BEAB Fc1cnc(N2CCc3ccccc32)nc1 301767618 IKVSJAXQCVCAIS-UHFFFAOYSA-N 215.231 2.310 0 40 BEAB CC[C@H](C(=O)N1C[C@H](O)C[C@H]1C)c1ccccc1 385168401 VFNBFPIPWRDAIK-BNOWGMLFSA-N 247.338 2.162 0 40 BEAB CO[C@]1(COc2ccccc2C)CCCNC1 585274803 OCBNHEIGMQEHMQ-CQSZACIVSA-N 235.327 2.142 0 40 BEAB Cc1cccc(NC(=O)c2ccc(O)nn2)c1C 543414 AXHYVJWEULBTLS-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB CC(=O)NC(=S)Nc1c(C)cccc1C 1480413 ZZDSAQAOXLSSSP-UHFFFAOYSA-N 222.313 2.136 0 40 BEAB COc1ccc([C@@H]2OC[C@H](C)O2)cc1OC 1676998 RTGAEOYQOMUCLS-QPUJVOFHSA-N 224.256 2.138 0 40 BEAB CCOC(=O)[C@H](CC(=O)c1ccccc1)C(C)=O 2033629 YZRBASVLKZJUQM-GFCCVEGCSA-N 248.278 2.028 0 40 BEAB CCOC(=O)C(F)(F)C(F)(F)Cl 2525771 FBLDISGAMTZLRR-UHFFFAOYSA-N 208.538 2.016 0 40 BEAB CC1=NN(CCC(=O)O)[C@H](c2ccccc2)C1 4210467 WZYWCUCEJOQUKY-LBPRGKRZSA-N 232.283 2.284 0 40 BEAB c1ccc(CCNc2ncnc3[nH]ncc23)cc1 4353492 JMOYUDXVINOCCT-UHFFFAOYSA-N 239.282 2.008 0 40 BEAB COc1cccc([C@@H](C)n2nccc2N)c1 4575255 OPJUZOFAZBHXLO-SECBINFHSA-N 217.272 2.083 0 40 BEAB O=C(Cc1cccs1)NCc1ccccn1 5572580 LPUDXRXZXOOEKB-UHFFFAOYSA-N 232.308 2.002 0 40 BEAB Cc1cccc2c1NC(=O)[C@@H]1[C@@H](C)CC(=O)O[C@H]21 5943100 NONFWADWZXFNGC-RLCGTCKNSA-N 245.278 2.187 0 40 BEAB Cc1ccc(NC(=O)Nc2nc[nH]n2)c(C)c1 6486860 UQYGPQBBGWHNNZ-UHFFFAOYSA-N 231.259 2.066 0 40 BEAB CN1C(=O)S/C(=C\c2ccccc2O)C1=O 8375504 OWXZJWVANRLZPG-TWGQIWQCSA-N 235.264 2.058 0 40 BEAB Cc1ccc(C)c(O[C@H]2CCCNC2)c1 14631659 CRUXPJDCOAFMLS-LBPRGKRZSA-N 205.301 2.434 0 40 BEAB Cc1cc(NC(=O)NC2CCCCC2)n(C)n1 27934037 AYTDBEKIZOCVRV-UHFFFAOYSA-N 236.319 2.183 0 40 BEAB CC[C@H](CO)Nc1ccc(Br)cn1 35606449 FCWKXTMGIGNUTC-MRVPVSSYSA-N 245.120 2.027 0 40 BEAB CON(C)C(=O)CCCc1ccccc1 38880822 DSKLTVYTIZLBDP-UHFFFAOYSA-N 207.273 2.029 0 40 BEAB CCC(=O)N1CCC(c2nccs2)CC1 40623302 QJNMGILYBQMWEC-UHFFFAOYSA-N 224.329 2.259 0 40 BEAB COc1ccc(-c2cccnc2CN)cc1 41653035 XXEJMRAGZNXVMI-UHFFFAOYSA-N 214.268 2.216 0 40 BEAB Fc1ccc(COC[C@H]2CCNC2)c(F)c1 42773949 KRAOEYRGRIHHJO-VIFPVBQESA-N 227.254 2.091 0 40 BEAB CCOC(=O)C(=O)CCc1ccccc1Cl 43504309 MWZPQRRAEUQLMA-UHFFFAOYSA-N 240.686 2.405 0 40 BEAB COC(=O)[C@@H](C)Nc1cccc(C)c1C 44870451 TZKILWOMJAUGQL-SNVBAGLBSA-N 207.273 2.277 0 40 BEAB CC[C@@H]1CCCCN1C(=O)CSCCOC 44911674 LDPJHXACOPFBIS-LLVKDONJSA-N 245.388 2.157 0 40 BEAB CN(Cc1nc2ccccc2o1)C1CC1 46601949 KUOSVKCYJRPYCZ-UHFFFAOYSA-N 202.257 2.422 0 40 BEAB CCSc1ncc(C(=O)O)c(NC(C)C)n1 49469524 LLDUGXSHTQPCIN-UHFFFAOYSA-N 241.316 2.107 0 40 BEAB Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1 54126205 MXGCIWYIHUIHAA-UHFFFAOYSA-N 243.310 2.299 0 40 BEAB NC1(Cc2ccc(Br)cc2)CC1 54404924 SALHGKBAZNVKNT-UHFFFAOYSA-N 226.117 2.483 0 40 BEAB O=C(O)C(F)(F)c1cc(F)ccc1F 55242346 OWZYQCUAOWAGAR-UHFFFAOYSA-N 208.110 2.141 0 40 BEAB CCc1nnc([C@@H]2Cc3ccccc3CN2)o1 57214415 WGWLZUXULQNFCP-NSHDSACASA-N 229.283 2.019 0 40 BEAB in-vitro CCNC(=O)c1cnn(C(C)C)c1C(F)(F)F 58342794 GNJSDYOTXKIMKT-UHFFFAOYSA-N 249.236 2.233 0 40 BEAB CONC(=O)C1(c2cccc(C)c2)CCCC1 69532300 QGLDBURCEKJCKO-UHFFFAOYSA-N 233.311 2.484 0 40 BEAB Ic1cnc2c(c1)CCC2 71260705 FNEJFIGKHRHEDR-UHFFFAOYSA-N 245.063 2.175 0 40 BEAB N[C@@H](Cc1cc(Cl)sc1Cl)C(=O)O 71778219 VORSHCWTZIFIRK-BYPYZUCNSA-N 240.111 2.009 0 40 BEAB CSc1nc(C(C)=O)cc2c1CCC2 72207302 UTQNIQUAOAXMSS-UHFFFAOYSA-N 207.298 2.495 0 40 BEAB Cc1ccncc1[C@@H]1CCCCN1C=O 72211427 GPAMNXKGENRDLQ-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB c1ccc(Cc2cnc([C@@H]3CCCN3)cn2)cc1 72384557 VSKYTHVZPNDWSY-AWEZNQCLSA-N 239.322 2.492 0 40 BEAB CCC[C@@H](C)NS(=O)(=O)c1cccc(F)c1 72542559 AMDHVJNMNHPYTP-SECBINFHSA-N 245.319 2.293 0 40 BEAB Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C 74957287 JKYNDYCQHQABOM-UHFFFAOYSA-N 243.310 2.118 0 40 BEAB O=c1oc(-c2ccco2)nn1[C@H]1C=CCCC1 76610145 PGCZEDDCPSCVMB-VIFPVBQESA-N 232.239 2.378 0 40 BEAB CC(=O)c1c(F)cccc1N[C@H](C)CCO 77226350 MPTAEAYQHLJSKQ-MRVPVSSYSA-N 225.263 2.211 0 40 BEAB CCCc1ccc(C(=O)N2CCC(N)CC2)cc1 77403568 ZWNLFSJHLVSTGZ-UHFFFAOYSA-N 246.354 2.202 0 40 BEAB OCCCN1CCSC2(CCCCC2)C1 84544019 DTVVIYDFOFYQTA-UHFFFAOYSA-N 229.389 2.121 0 40 BEAB CC(C)(C)OC(=O)Nc1c(N)cccc1O 89194841 KQPLSWSDMLZMBN-UHFFFAOYSA-N 224.260 2.321 0 40 BEAB CO[C@@H]1CCC[C@@H](NCc2c(C)noc2C)C1 92339521 OJAQZWDGXBCSQE-VXGBXAGGSA-N 238.331 2.339 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCNC[C@@H]2C)c1C 94345004 KBLVNRQZEBKUOV-FZMZJTMJSA-N 246.354 2.031 0 40 BEAB COc1ccc(OC)c([C@@H](O)c2cccn2C)c1 95727739 OHXDBXCLGLCOEX-CQSZACIVSA-N 247.294 2.124 0 40 BEAB C[C@@H]1CCCCCN1C(=O)C1CCOCC1 96406135 NMFKDLIKBIUNLY-LLVKDONJSA-N 225.332 2.204 0 40 BEAB CCO[C@H]1C[C@H](Nc2cnccn2)C12CCC2 96429657 LKBVWDNRTBOBSG-QWRGUYRKSA-N 233.315 2.236 0 40 BEAB Oc1cnn(-c2ccccc2Br)c1 96510725 JPZVUOWQXRVKLB-UHFFFAOYSA-N 239.072 2.340 0 40 BEAB CSCC[C@H](N)CN1CCCCCCC1 96523843 OTTDUIMUPJHQDD-LBPRGKRZSA-N 230.421 2.333 0 40 BEAB Nc1[nH]nc(CCC2CCCCC2)c1N 96527725 CYEMLFPZJKQIIN-UHFFFAOYSA-N 208.309 2.087 0 40 BEAB COC(=O)C(=O)c1c(OC)ccc2ccccc12 98174844 CWSOATBBDFYPOF-UHFFFAOYSA-N 244.246 2.204 0 40 BEAB Nc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1 100039423 KQGHTTWMMCKRFF-UHFFFAOYSA-N 244.081 2.055 0 40 BEAB CN(CC(F)F)C(=O)Nc1ccccc1 103502085 ITGXSOPIHBCERI-UHFFFAOYSA-N 214.215 2.415 0 40 BEAB Cc1nc(NC(=O)OC(C)(C)C)sc1CO 114054478 IUKJGZQDJHHXDK-UHFFFAOYSA-N 244.316 2.291 0 40 BEAB Cc1ccc(Cc2ccc(CO)n2C)cc1 226029164 HHPGEBIUXLUDPH-UHFFFAOYSA-N 215.296 2.417 0 40 BEAB Clc1ncc(Br)c2ncncc12 238517802 GWPDGSQZFZZYCQ-UHFFFAOYSA-N 244.479 2.441 0 40 BEAB Clc1nccc(Oc2ccncc2)n1 575414995 DRRMNDUXNCTCPY-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB OCc1nccc2cc(Br)ccc12 575436685 PKSBDQZSZMBFSW-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB O=C([C@H]1CC=CCC1)N1CC(C(F)F)C1 585383242 ZLLAFUJUYKRICJ-QMMMGPOBSA-N 215.243 2.066 0 40 BEAB NC(=S)c1sccc1Br 109153 LJHCNGDJUDDXLP-UHFFFAOYSA-N 222.132 2.145 0 40 BEAB Nc1ccc(Cl)cc1C(=O)NCC1CC1 152891 PPJVOAZQMCAIIU-UHFFFAOYSA-N 224.691 2.062 0 40 BEAB in-vitro O=C(Nc1ccc(F)cc1)Nc1ncccn1 401901 UFHIFRFZLBFBTC-UHFFFAOYSA-N 232.218 2.260 0 40 BEAB O=C1NC(=O)/C(=C\c2ccccc2)S1 1042221 SGIZECXZFLAGBW-SOFGYWHQSA-N 205.238 2.011 0 40 BEAB O=C1SC2(CCCCC2)SC1=O 1615056 BSXLEFMXFCLZKC-UHFFFAOYSA-N 202.300 2.180 0 40 BEAB CCCCC[C@@]1(C)OC[C@H](COC(C)=O)O1 1681924 SRVZUFBIUWFSMG-RYUDHWBXSA-N 230.304 2.261 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)O 4205698 NCIPUDYBLPRKCW-YUMQZZPRSA-N 247.385 2.352 0 40 BEAB CCCCSc1nnc([C@@H]2CCCN2)o1 5443712 IYTNBWYOYCAADQ-QMMMGPOBSA-N 227.333 2.386 0 40 BEAB CCOc1ccc(C(=O)N(C)C)cc1OCC 5466384 USLOUUXMBUDWHA-UHFFFAOYSA-N 237.299 2.186 0 40 BEAB Oc1cccc(C(=S)N2CCCC2)c1 9189010 GCZRVADIGQCBGG-UHFFFAOYSA-N 207.298 2.164 0 40 BEAB CCC[C@]1(C)NC(=S)N(CCC(C)C)N1 9189214 SPOTYUQSDPXGSB-LLVKDONJSA-N 229.393 2.244 0 40 BEAB COc1ccc(-c2nc(CCN)cs2)cc1 11755518 RWUMVFHXIHEZHD-UHFFFAOYSA-N 234.324 2.320 0 40 BEAB in-vitro CN(C)c1ccc(C2CCNCC2)cc1 14629012 WQJDGBSHGYFTNT-UHFFFAOYSA-N 204.317 2.220 0 40 BEAB in-vitro CC(C)(CC(=O)O)C(=O)c1ccccc1 15442489 YBTFNPBJKLKDLA-UHFFFAOYSA-N 206.241 2.370 0 40 BEAB Cc1cccc(CN2[C@@H](C)CNC[C@@H]2C)c1 19801247 MXPFEIDQBKAPAW-STQMWFEESA-N 218.344 2.177 0 40 BEAB CCCCS(=O)(=O)Nc1ccc(C)cc1N 20157132 IKASAVIHTNLKAF-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB O=C(O)c1nc(-c2ccncc2)n2ccccc12 20222665 JGDRURICQWOYCH-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB Cc1cc(CNC(=O)c2ccccn2)ccc1F 21067974 CMXUKBGBCWDWQU-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB Cc1nnc(NC(=O)c2sccc2C)s1 23625571 RRMIDRDFLQFGCT-UHFFFAOYSA-N 239.325 2.469 0 40 BEAB CCn1nc(C)c(CN(C)C(=O)C2CCC2)c1C 28573416 GRAXURRMOLNRRY-UHFFFAOYSA-N 249.358 2.278 0 40 BEAB COc1ccc2c(c1)[C@@H](C(=O)O)CCC2 31889186 WJNRAOKRAWFGFS-JTQLQIEISA-N 206.241 2.200 0 40 BEAB in-vitro COCCNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 32193286 AVYPWRJOVBGKBG-QQHVKIJGSA-N 249.310 2.179 0 40 BEAB CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1 37020916 RSAGOSYIIJQOST-NKWVEPMBSA-N 246.763 2.316 0 40 BEAB CCc1c(C(=O)O)nnn1-c1cc(C)cc(C)c1 37312341 JIHHMULPDCAYBJ-UHFFFAOYSA-N 245.282 2.145 0 40 BEAB in-vitro Nc1nc(-c2ccc3c(c2)COC3)cs1 39947665 BHNBQBTZJVHHHZ-UHFFFAOYSA-N 218.281 2.423 0 40 BEAB CC[C@@H]1CN(C(=O)NCc2ccccc2)CCO1 40067679 TYPOAFXHUMEAEL-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB O=C(NCc1nccs1)c1ccc(F)cc1 40437317 KARCYBOTCHUWEC-UHFFFAOYSA-N 236.271 2.212 0 40 BEAB FC(F)(F)C1=CC(C(F)(F)F)=NCCN1 43463993 OXGXJAHEBLONMD-UHFFFAOYSA-N 232.127 2.039 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1cc(C)oc1C 44730412 VOQRIHVRYXECJE-MWLCHTKSSA-N 211.305 2.318 0 40 BEAB COc1ncccc1NC(=O)N1CCCC[C@H]1C 48364905 RWYZQLLACVPGSC-SNVBAGLBSA-N 249.314 2.497 0 40 BEAB Cc1cc(CNC(=N)Nc2ccccc2)no1 52048067 LHDQCDYUMLEQIJ-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB Fc1cccc(CN2CCN(C3CC3)CC2)c1 65554344 QRPPKDGKGYVVSY-UHFFFAOYSA-N 234.318 2.106 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)NCCCO 65587019 GICZAMLWRZXTQE-UHFFFAOYSA-N 242.706 2.152 0 40 BEAB Fc1cc(Cl)ccc1CNC1CCNCC1 67802645 JZLICFBHWDKOPH-UHFFFAOYSA-N 242.725 2.321 0 40 BEAB CC(C)c1cc(N2CCC[C@H](CCN)C2)ncn1 70073975 UZDVMVOGAZXNPL-GFCCVEGCSA-N 248.374 2.165 0 40 BEAB O=C(O)C/C(=C/c1cccc(Cl)c1)C(=O)O 72220957 WYCRPWUZWWMDEV-YWEYNIOJSA-N 240.642 2.283 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN(C(C)C)C1 72356956 YRSLKFVOADAWLC-LLVKDONJSA-N 207.321 2.306 0 40 BEAB COC(=O)c1ccc(-c2ccc(N)cc2OC)o1 73640412 CVBYVPZLUGHMCT-UHFFFAOYSA-N 247.250 2.324 0 40 BEAB Cc1cc(C(=O)O)nn1Cc1cccc(F)c1 77367943 STZARVUSRHTWPI-UHFFFAOYSA-N 234.230 2.077 0 40 BEAB COc1sc(C=O)cc1Br 82164225 VCUVVHCEXSTWFK-UHFFFAOYSA-N 221.075 2.332 0 40 BEAB in-vitro Cc1ccc([C@@H](C)N(C)CC(=O)O)c(C)c1 82717646 MUBKTXOKTGCCKA-LLVKDONJSA-N 221.300 2.381 0 40 BEAB O=C(O)COc1ccc(F)c2ccccc12 85395222 CBBWPOKLYLQCSU-UHFFFAOYSA-N 220.199 2.442 0 40 BEAB c1ccc(-c2noc(-c3ccoc3)n2)nc1 89884663 HFJCGOZFXPGCAP-UHFFFAOYSA-N 213.196 2.392 0 40 BEAB Cc1nc(Br)c(N)c(C)c1C 95533168 WLIVTFUPLCLWQY-UHFFFAOYSA-N 215.094 2.352 0 40 BEAB COC[C@H](C)Nc1nc(-c2ccc(C)cc2)no1 95994677 KJXJNVKKQOINNL-JTQLQIEISA-N 247.298 2.492 0 40 BEAB COCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 96418931 XYTYTMUHKLKLIE-UHFFFAOYSA-N 247.338 2.441 0 40 BEAB COc1ccc(COC(=O)[C@H]2CC=CCC2)cn1 96442966 VVIWPFYYAHCFPX-LBPRGKRZSA-N 247.294 2.490 0 40 BEAB c1cc([C@H]2CCCCN2)n(C2CCOCC2)n1 96509766 LZNYQUBLQSZDNI-GFCCVEGCSA-N 235.331 2.049 0 40 BEAB CCn1c(C)c(C(C)=O)c(C)c1C(=O)O 96516043 QYZRZKKHEQCKMA-UHFFFAOYSA-N 209.245 2.026 0 40 BEAB COCCn1cc(N[C@@H](C)C(C)(C)C)cn1 97037864 XQHATIFAGDIVQW-JTQLQIEISA-N 225.336 2.376 0 40 BEAB CC[C@@H](COC)Nc1ccc([S@](C)=O)cc1 97101624 CVHCIELERLTZPJ-MGPLVRAMSA-N 241.356 2.261 0 40 BEAB CCOC[C@@H](C)Nc1ccc([S@](C)=O)cc1 97371331 UYUHMSZIWBOKLC-QLJPJBMISA-N 241.356 2.261 0 40 BEAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 102253558 ABFVODLSARTRLV-VOAKCMCISA-N 219.328 2.457 0 40 BEAB CCC(=O)Nc1cc(CCC(C)C)n[nH]1 195577535 UNYJXBZZUMSKIA-UHFFFAOYSA-N 209.293 2.347 0 40 BEAB NN[C@H]1CCCC[C@H]1Cc1ccccc1 199539250 UFIXVJLXVFSSHV-STQMWFEESA-N 204.317 2.251 0 40 BEAB COC(=O)c1ccc(F)cc1OC(F)F 199819898 OUGZYPLTFZVTNP-UHFFFAOYSA-N 220.146 2.214 0 40 BEAB COc1ccccc1CCCNC(=O)C1CC1 225384141 QGNAOWYUYREVFV-UHFFFAOYSA-N 233.311 2.154 0 40 BEAB OCc1ccc(CCc2ccccc2)[nH]1 226029111 YZANPSUUFHWUEC-UHFFFAOYSA-N 201.269 2.292 0 40 BEAB FCCn1cc(NCc2ccccc2)cn1 256049851 BTBFHVSNLSETSW-UHFFFAOYSA-N 219.263 2.465 0 40 BEAB Clc1nc2cccc(Br)n2n1 306382716 PSAHKOQSFZDPPI-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB Cc1ccoc1CN(C)C(=O)N[C@H]1CC12CC2 335138643 SLOANCPJOJXFSH-NSHDSACASA-N 234.299 2.282 0 40 BEAB CC(=O)OCC(=O)c1cccc(Cl)c1C 382707518 UYQPKLNGSOLPDW-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB Cc1ccnc(OCC2CC(F)(F)C2)n1 585651718 PIISLMRBNYLUOG-UHFFFAOYSA-N 214.215 2.209 0 40 BEAB Cc1cccc(CNc2nccc(Cl)n2)n1 1565504855 UMJALCVUDKDFJX-UHFFFAOYSA-N 234.690 2.446 0 40 BEAB Cn1ncc2c(NC3CCCCC3)ncnc21 116879 LAQOPFYGEKWGOX-UHFFFAOYSA-N 231.303 2.108 0 40 BEAB CCCCOC(=O)c1ccc(O)c(OC)c1 1591848 TUOSEEPBHUCCAO-UHFFFAOYSA-N 224.256 2.358 0 40 BEAB O[C@H](Cn1nnc2ccccc21)c1ccccc1 2639040 HPHYPQQQONNOLW-CQSZACIVSA-N 239.278 2.165 0 40 BEAB O=C(O)[C@@H]1CCCN(CCc2ccccc2)C1 4343311 BDXDRVVZESQZHR-CYBMUJFWSA-N 233.311 2.026 0 40 BEAB in-vitro O=C1NC[C@@](c2ccccc2)(C2CC2)O1 5064956 BYEZCZQEGPOFDE-GFCCVEGCSA-N 203.241 2.032 0 40 BEAB Cc1ccccc1S(=O)(=O)Nc1ccccn1 5214423 ZPFVEYSFACAVGO-UHFFFAOYSA-N 248.307 2.191 0 40 BEAB CC(C)CCNC(=S)NC1CCCC1 8577918 ZLOYQVOUZNZCGV-UHFFFAOYSA-N 214.378 2.439 0 40 BEAB CNC(=O)COc1cc(C(C)C)ccc1C 10025295 NZSFDBPTJUKRKX-UHFFFAOYSA-N 221.300 2.243 0 40 BEAB CCCc1c(C(=O)O)nnn1-c1ccc(F)cc1 11730604 LLKRXSMHOJJIJN-UHFFFAOYSA-N 249.245 2.057 0 40 BEAB Cc1ccc(C)c(NC(=O)Cn2cccn2)c1 12985038 NKLHRZWSCWQWAN-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB Cc1cc(F)ccc1NC(=O)C1CCNCC1 19413569 USQNFQHZCCZXAC-UHFFFAOYSA-N 236.290 2.072 0 40 BEAB Cc1nccn1-c1ccc([C@H](C)N)cc1 19872912 WPLSPYJGWHJRPP-VIFPVBQESA-N 201.273 2.200 0 40 BEAB in-vitro O=C(OCc1ccccn1)c1ccc(O)cc1 23026830 BIRGAGUITFJALB-UHFFFAOYSA-N 229.235 2.144 0 40 BEAB c1cnc2c(CN3CCOCC3)cccc2c1 25326730 PBNWNXMJJPPZDN-UHFFFAOYSA-N 228.295 2.067 0 40 BEAB CC[C@@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 28509949 YMPSVVYMUYXEOH-SNVBAGLBSA-N 248.326 2.373 0 40 BEAB CCOc1cccc([C@H]2C[C@H]2C(=O)O)c1 32010614 IZKXGKMFQATOME-GHMZBOCLSA-N 206.241 2.273 0 40 BEAB CC(C)Oc1ccc([C@@H](CN)N(C)C)cc1 32497101 YQIGXGUELXVADN-CYBMUJFWSA-N 222.332 2.035 0 40 BEAB in-vitro O=C(O)CN(Cc1ccc(F)cc1)CC1CC1 36885918 NEXNXCCQOIONAE-UHFFFAOYSA-N 237.274 2.122 0 40 BEAB O=C(O)CN(CC1CC1)C1CCCCC1 36885963 ZYOZGNSGRJKFBN-UHFFFAOYSA-N 211.305 2.116 0 40 BEAB Cc1cccc(NC(=O)NCc2cn[nH]c2)c1 37998808 TWLSUCVTNFIUAR-UHFFFAOYSA-N 230.271 2.040 0 40 BEAB CCn1cc(C=O)c2ccc(OC)cc21 39100855 IFHQHQBZUKXOSE-UHFFFAOYSA-N 203.241 2.482 0 40 BEAB C[C@@H](NCc1cnn(C)c1)C1CCCCC1 41054754 GXJXVOSMNJTIIZ-LLVKDONJSA-N 221.348 2.479 0 40 BEAB Cc1noc(NC(=O)c2ccc(C)c(F)c2)n1 42703071 PDHDUTVPAOJQDA-UHFFFAOYSA-N 235.218 2.078 0 40 BEAB Cc1ccc(C(=O)NCc2nc(C)c(C)o2)o1 48821685 YETHPAPDUSECLX-UHFFFAOYSA-N 234.255 2.123 0 40 BEAB Cc1nc(CC(=O)N2CCC(C)CC2)cs1 58245339 WXWUXPYTHDISMY-UHFFFAOYSA-N 238.356 2.253 0 40 BEAB CC[C@@H](C)NC(=O)CN1CCCC[C@H]1CC 58874238 UDPDEPYVGYVUQA-VXGBXAGGSA-N 226.364 2.166 0 40 BEAB CCOC(=O)c1cc(Br)cc(C)n1 59086107 AAPPRTUAEBBJOZ-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB FC(F)Oc1ccccc1OC[C@H]1CO1 60198536 DAHPARGKQAOYKA-SSDOTTSWSA-N 216.183 2.066 0 40 BEAB CCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21 65474547 HDYXGVDHRHNGDN-UHFFFAOYSA-N 239.278 2.412 0 40 BEAB Cc1noc(C)c1CNC(=O)CCC(C)C 67759806 XJBUPLWESJTQLV-UHFFFAOYSA-N 224.304 2.344 0 40 BEAB Cc1nsc(N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 78302836 HQHXOKQNBIWEDU-VGMNWLOBSA-N 239.344 2.072 0 40 BEAB Cc1[nH]ncc1CCCN[C@@H]1CCC[C@H]1C 83391136 PAHRWGZBVBGBER-ZWNOBZJWSA-N 221.348 2.429 0 40 BEAB CC1(C)CC(=O)CN(C(=O)OC(C)(C)C)C1 84249191 XIVWTYQQVHHCFB-UHFFFAOYSA-N 227.304 2.223 0 40 BEAB O=C(O)C[C@H](c1ccc(O)cc1)C1CC1 84383320 OWXNQQUWPGXPMS-NSHDSACASA-N 206.241 2.361 0 40 BEAB in-vitro COC(=O)[C@@H]1O[C@]1(C)c1ccccc1Cl 85657571 JOIFRFLAWONKLV-GXSJLCMTSA-N 226.659 2.127 0 40 BEAB O=C1NC2(CCCC2)Nc2cccc(F)c21 90661423 WZCWYEGVBLSJGM-UHFFFAOYSA-N 220.247 2.251 0 40 BEAB COc1ccc(CO)cc1OC(F)(F)F 91251979 XSWBFWDUPUANRL-UHFFFAOYSA-N 222.162 2.086 0 40 BEAB CCS(=O)(=O)[C@@H](C)C(=O)c1ccccc1C 96518017 NZDXUCJLGPMBFT-JTQLQIEISA-N 240.324 2.001 0 40 BEAB C[C@H]1CCCC[C@H]1OCCSc1cnn[nH]1 97014292 BJFHGKOXUHLXHL-VHSXEESVSA-N 241.360 2.492 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CCOCC1 97164465 DDVTUKKNNUWHBI-STQMWFEESA-N 209.333 2.311 0 40 BEAB O=C(CC(=O)C(F)(F)F)c1ccsc1 105454376 FATXXSNVTXITLM-UHFFFAOYSA-N 222.187 2.452 0 40 BEAB CCOC[C@H](C)OC(=O)c1ccc(C)o1 190793515 PPVXIOGQSJZYAB-VIFPVBQESA-N 212.245 2.170 0 40 BEAB C[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)CC1=O 217892128 QMDBRAGBGCRPGM-PELKAZGASA-N 227.304 2.269 0 40 BEAB Nc1cccc(OCC(=O)Oc2ccccc2)c1 225397779 CXIRBQFYXGUBJE-UHFFFAOYSA-N 243.262 2.253 0 40 BEAB CCn1cnc2cc(C(=O)O)c(Cl)cc21 225727167 UDTGQDAERJOFLY-UHFFFAOYSA-N 224.647 2.408 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1 245225203 PQUMMGONKCIJMR-GARJFASQSA-N 219.284 2.446 0 40 BEAB Cc1c[nH]c([C@H]2CCCN(c3ccncc3)C2)n1 257293009 QNUIBMQJISTPBG-LBPRGKRZSA-N 242.326 2.497 0 40 BEAB Cc1ccc(OC[C@H]2CCCCO2)nc1 525820618 PGRMYEJSUQHLGW-LLVKDONJSA-N 207.273 2.338 0 40 BEAB C/C=C/C(=O)N1CCC[C@@H](Oc2ccncc2)C1 575612761 MNABXDZYVRJAHD-CXLRFSCWSA-N 246.310 2.028 0 40 BEAB Cc1cccn2cc(C(=O)N3CC[C@H]3C)cc12 829144848 LQUPTQFSCUKFQT-LLVKDONJSA-N 228.295 2.482 0 40 BEAB C[C@H](F)COC(OC[C@H](C)F)OC[C@H](C)F 1083808027 VWOCFXWMMFWYDE-CIUDSAMLSA-N 244.253 2.394 0 40 BEAB C[C@@H](C[C@@H](C)C(=O)Nc1ccccc1)C(=O)O 345922 XPYGARPDBLWJQB-ZJUUUORDSA-N 235.283 2.372 0 40 BEAB O=C(c1cccnc1)[C@H]1Cc2ccccc2C1=O 1564475 OIRQRFHZNILPAA-CYBMUJFWSA-N 237.258 2.320 0 40 BEAB c1ccc(NCNC2Nc3ccccc3N2)cc1 1591379 HIHLIRFPPKNGNH-UHFFFAOYSA-N 240.310 2.467 0 40 BEAB O[C@H](CNc1ccc(Cl)nn1)c1ccccc1 1606746 SSKXMZLGFZBBOR-SNVBAGLBSA-N 249.701 2.276 0 40 BEAB CCC(=O)Oc1[nH]c(C)c(C(C)=O)c1C 1635511 YODFTKDGPPLRFR-UHFFFAOYSA-N 209.245 2.150 0 40 BEAB COc1cc2cccc(N)c2cc1OC 1768039 XWSTYNKWYKLHFJ-UHFFFAOYSA-N 203.241 2.439 0 40 BEAB Cc1ccc(-c2cc(C)n(C)[n+]2C)cc1 1852034 HTWGAGCGUATIFI-UHFFFAOYSA-N 201.293 2.133 0 40 BEAB C[C@@]1(CSc2ccccc2)CC(=O)N1 2041486 HWNBODVECSTPNY-NSHDSACASA-N 207.298 2.057 0 40 BEAB CCCCCC[C@@H](O)CC(OC)OC 2509833 GCXUFNVYAOVXOV-SNVBAGLBSA-N 204.310 2.327 0 40 BEAB Cc1noc(C)c1CN(C)C(=O)c1ccoc1 46408248 XKOQYSIVESNNHP-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB Cc1ccccc1CSc1nncn1C 3183235 PYCDOCFCKJLZRU-UHFFFAOYSA-N 219.313 2.416 0 40 BEAB CCNC(=O)CCN1CC[C@@H](c2ccccc2)C1 69893890 GCIJMAXMTOMUIK-CQSZACIVSA-N 246.354 2.002 0 40 BEAB Cc1ccc(S(=O)(=O)[C@H]2C3C[C@H]4C2[C@@H]4C3)cc1 104105769 WZMYWJSCBABHMM-KDUNRZIXSA-N 248.347 2.423 0 40 BEAB CCN(CC)c1ccc(CO)c(OC)c1 8701624 RQFDSDNRTYJIEL-UHFFFAOYSA-N 209.289 2.034 0 40 BEAB CNCc1ccc(OC)c(OC(F)F)c1 12481171 PMWZEOSCLSTETM-UHFFFAOYSA-N 217.215 2.016 0 40 BEAB in-vitro CCOC(=O)C(F)(F)Oc1ccccc1 3134892 GEUKLLVBEHNCAL-UHFFFAOYSA-N 216.183 2.221 0 40 BEAB O[C@]1(c2ccc(Cl)c(Cl)c2)CCNC1 33856651 VTDDGZREKRAICG-SNVBAGLBSA-N 232.110 2.174 0 40 BEAB Clc1cccc(OC2CNC2)c1Cl 42769849 SORWUTJILOQVHX-UHFFFAOYSA-N 218.083 2.344 0 40 BEAB Brc1cccc2c1NCCO2 107154724 BIGYOTCGUIPBKO-UHFFFAOYSA-N 214.062 2.253 0 40 BEAB COc1ccc2nc(CNC(C)(C)C)[nH]c2c1 22122100 UIPRCQOVASKECH-UHFFFAOYSA-N 233.315 2.460 0 40 BEAB CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 27906251 HOXUNYYAZVMYEY-ONGXEEELSA-N 237.299 2.139 0 40 BEAB O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCO1 21047674 FGMRKVWUPHMIKE-ZDUSSCGKSA-N 245.322 2.013 0 40 BEAB CCc1nsc(N[C@@H]2CCC[C@@]2(C)CO)n1 96455801 ZGMAXQNILZBTFI-KCJUWKMLSA-N 241.360 2.064 0 40 BEAB CC[C@@H](SC[C@@H](O)CO)c1ccccc1 95407550 ORCFUUSYTLRTGF-NWDGAFQWSA-N 226.341 2.224 0 40 BEAB COc1cc(Br)cc(C)n1 85224631 MNMVHRSZHDBLMP-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB in-vitro CCc1nc2ccccc2n1[C@@H]1CCNC1 62807707 CRIUPAQFNBSLJE-SNVBAGLBSA-N 215.300 2.133 0 40 BEAB COC(=O)CCc1ccc2[nH]c(Cl)nc2c1 217773384 YCPZXIYKSYZARV-UHFFFAOYSA-N 238.674 2.322 0 40 BEAB O=C(c1cccnc1)c1cccc(F)c1 37464016 IEVCOTJIGFKWIC-UHFFFAOYSA-N 201.200 2.452 0 40 BEAB CC(=O)Oc1c(C)cc(Cl)cc1CO 216771570 WGEDKNZAXXULQG-UHFFFAOYSA-N 214.648 2.066 0 40 BEAB CC(C)[C@@H]1[C@H]2C[C@@]3(C)[C@H](O)CC[C@](C)(O)[C@@H]3[C@H]21 82046436 HAGUIOILOILJEM-ZFPHAMITSA-N 238.371 2.437 0 40 BEAB biogenic CCN(C)C(=O)Nc1ccccc1N(C)C(C)=O 98010566 LRLUUFCLDQXBLZ-UHFFFAOYSA-N 249.314 2.153 0 40 BEAB O=c1c(Br)cccn1CC1CC1 97910917 HMWDHUZTUGTXJX-UHFFFAOYSA-N 228.089 2.021 0 40 BEAB Cc1ccc([C@@H](N)c2n[nH]c(C(C)C)n2)cc1 95534079 KEVOJVWUNFWRQU-LLVKDONJSA-N 230.315 2.285 0 40 BEAB CC(C)(C)C1CCC(C(=O)NC[C@H]2CO2)CC1 95096965 WHMDVPBRKYTUSK-MCIGGMRASA-N 239.359 2.354 0 40 BEAB O=C(c1ccc(C(F)F)cc1)N1CCCO1 336063743 SDYOOOHTITVLIU-UHFFFAOYSA-N 227.210 2.402 0 40 BEAB CC(=O)Nc1nc(-c2ccc(F)cc2)ns1 95396018 CCNFXXIJYCOFEF-UHFFFAOYSA-N 237.259 2.303 0 40 BEAB COCC[C@@H](C)SCc1nnc(C)o1 96467896 BLXMTJGTKMLXRM-SSDOTTSWSA-N 216.306 2.036 0 40 BEAB Cc1cc(CN2CC[C@@H](c3[nH]ncc3C)C2)no1 257295211 QXLFHBWDOBYAGN-LLVKDONJSA-N 246.314 2.004 0 40 BEAB Cc1cc(CN2CCCC[C@H]2c2ccn[nH]2)no1 257262726 LMOUYDLESGFTGX-ZDUSSCGKSA-N 246.314 2.433 0 40 BEAB CCCC(C)(C)NC(=O)c1cc(C)no1 50498301 CVBOWUQKNHJYCS-UHFFFAOYSA-N 210.277 2.292 0 40 BEAB CC[C@](C)(CCO)NCc1nc(C)cs1 95416723 QGTOUTXHZSMNCH-LLVKDONJSA-N 228.361 2.092 0 40 BEAB c1cc2cc(N3CCNCC3)ccc2s1 34597581 YGAGYXZPHGMRHX-UHFFFAOYSA-N 218.325 2.311 0 40 BEAB Cc1ncn(Cc2nc3ccccc3[nH]2)c1C 92856914 QSASUVUHDCLWSA-UHFFFAOYSA-N 226.283 2.425 0 40 BEAB CCc1nsc(-c2cc(F)ccc2CO)n1 665181388 PPGFTFXULBPRMM-UHFFFAOYSA-N 238.287 2.399 0 40 BEAB CC(=O)O[C@]1(c2ccccc2)C[C@@H](C)CN(C)C1 4474743 QSTBERFREDOMJD-IUODEOHRSA-N 247.338 2.417 0 40 BEAB COc1ccccc1NC(=O)c1ccncc1 974663 TZVALONNYKQESI-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CC(C)=CC(=O)Nc1ccccc1-n1cncn1 40498660 KVFSCESYANACNG-UHFFFAOYSA-N 242.282 2.172 0 40 BEAB O=C(CC(F)(F)F)NCCc1cccs1 40490342 NYSPLEHCRUIAMY-UHFFFAOYSA-N 237.246 2.359 0 40 BEAB COc1ccc2occ(CCC(=O)O)c2c1 54955 VZPMUJFKNXHPCE-UHFFFAOYSA-N 220.224 2.459 0 40 BEAB COC(=O)c1cc(C)c(Br)c(N)c1 1610646 OJEFZLWIXRIJNW-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB CSc1nc(Cl)c2ccn(C)c2n1 1715011 NFHCQENDQIZPMU-UHFFFAOYSA-N 213.693 2.344 0 40 BEAB c1ccc(CNCCCn2ccnc2)cc1 2533909 PUHMXLKXQDOCFC-UHFFFAOYSA-N 215.300 2.063 0 40 BEAB in-vitro CCCNS(=O)(=O)c1c(C)cc(C)cc1C 3349440 XPORVZICKZCHLQ-UHFFFAOYSA-N 241.356 2.300 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 5559997 VVBRWFBHPKUVOI-KCJUWKMLSA-N 205.257 2.290 0 40 BEAB CC(C)(C)C(=O)Cn1cnc2ccccc2c1=O 6086687 PNVXNUQHPWYSKH-UHFFFAOYSA-N 244.294 2.012 0 40 BEAB CCC[C@@H](C)NC(=O)Cn1cnc2ccccc21 7779916 SZWORUGEHYIJSF-LLVKDONJSA-N 245.326 2.341 0 40 BEAB CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1 9448483 LOQZULFUSSFOAG-UHFFFAOYSA-N 234.299 2.127 0 40 BEAB CONC(=O)Cc1coc2c(C)c(C)ccc12 10224537 RBEVTHPWGYGGAL-UHFFFAOYSA-N 233.267 2.270 0 40 BEAB CC(=O)NCCc1cccc2ccc(O)cc12 13738655 UNTZQBYXDYYXIY-UHFFFAOYSA-N 229.279 2.224 0 40 BEAB CC[C@H]1CCCCN1c1ncnc2c1cnn2C 14140787 QZVFMRIEWXZPHP-JTQLQIEISA-N 245.330 2.132 0 40 BEAB CCn1ccc(CNc2cn(CC)nc2C)n1 20350836 BQZKDPKRQNOIAZ-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB C[C@H](Oc1cccc(N)c1)C(=O)N1CCCCC1 20388208 UHBCDGWIZTWTTE-NSHDSACASA-N 248.326 2.049 0 40 BEAB Cc1cc(NC(=O)CNc2cccc(F)c2)on1 24225100 ZVPOHTNXQQZJHB-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB O=C1CCc2cc(F)c(NC(=O)C3CC3)cc2N1 33217642 MQJXQWXGVFSYOV-UHFFFAOYSA-N 248.257 2.059 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2C(=O)CCC[C@H]21 36457049 GRNSGJOKGICXGO-NXEZZACHSA-N 239.315 2.365 0 40 BEAB in-vitro Cc1[nH]c(=O)c(C)cc1-c1ccncc1 39644503 WDKALRYAYOIYST-UHFFFAOYSA-N 200.241 2.054 0 40 BEAB COc1cccc(SCC(=O)NC(C)C)c1 40051800 AOMOJGNELPZVBF-UHFFFAOYSA-N 239.340 2.312 0 40 BEAB Cn1c(C(=O)Nc2ccon2)cc2sccc21 40805810 LOHZCNOTKCJXST-UHFFFAOYSA-N 247.279 2.480 0 40 BEAB Oc1cnc2[nH]ccc2c1Br 44712777 PLCCVBCYSPWTMY-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB CCN(CC)C(=O)C(=O)Nc1ccc(C)cc1C 48724926 MWBWMZSTGRRTIT-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB CCSc1cc(C(=O)Nc2cc[nH]n2)ccn1 49449471 DVXINRFGPKGUHH-UHFFFAOYSA-N 248.311 2.169 0 40 BEAB COc1ccc([C@@](C)(O)C2CC2)c(OC)c1 55232466 KGECIGOFKXZHHC-ZDUSSCGKSA-N 222.284 2.321 0 40 BEAB OC(=C\C1=NCCN1)/C=C/c1ccc(F)cc1 62716137 DATFASSVGDAQRV-MCONIOEYSA-N 232.258 2.283 0 40 BEAB CCCN(Cc1cccnc1)C[C@H]1CCCO1 69452392 YBXQWRPVZBJGHE-CQSZACIVSA-N 234.343 2.473 0 40 BEAB C[C@@H](c1ccncc1)N1CCOC(C)(C)C1 69972196 XCVDRSAPFBKKSD-NSHDSACASA-N 220.316 2.253 0 40 BEAB NC(=O)CN(Cc1ccccc1)[C@@H]1C=CCCC1 71900603 NRDIJUPMDKYAJQ-CQSZACIVSA-N 244.338 2.083 0 40 BEAB Cc1nc(N2CCCCCC2)ccc1CO 72224564 IUCBRBQJTQJAKI-UHFFFAOYSA-N 220.316 2.263 0 40 BEAB NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 72406709 XHMBCMXTJYWXHQ-IUCAKERBSA-N 229.201 2.294 0 40 BEAB COC(=O)c1cccc2c1O[C@H](C)[C@H]2C 73193846 JSLIOTYZZRXGLQ-HTQZYQBOSA-N 206.241 2.358 0 40 BEAB CS(=O)(=O)N1CCCCC[C@@H]1c1ccco1 76855273 STBBIODEDOGHAR-SNVBAGLBSA-N 243.328 2.156 0 40 BEAB CCS[C@H]1CCC[C@H](NC(=O)CCOC)C1 79013377 OHJLCUGFGXPSLQ-QWRGUYRKSA-N 245.388 2.203 0 40 BEAB CCCCC(=O)NC[C@@H](O)c1ccccc1C 79028533 IYJQYYKBZIJDNY-CYBMUJFWSA-N 235.327 2.335 0 40 BEAB CN(Cc1ccc(O)cc1)C(=O)NCC1CCC1 79534449 NXOVVAADUMLQAL-UHFFFAOYSA-N 248.326 2.334 0 40 BEAB O=C(O)c1ccc2[nH]c3ncccc3c2c1 82964605 NOPZGRYXKYSYBB-UHFFFAOYSA-N 212.208 2.414 0 40 BEAB Cc1ccc(-c2noc([C@@H](C)N)n2)c(C)c1 82975973 DWVFXFMTFPYTOM-SECBINFHSA-N 217.272 2.373 0 40 BEAB Cc1cc(F)ccc1NCc1cncn1C 85167743 HYCDETMXEIVAFG-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1cccc(CC2CN(C(=O)C3CC3)C2)c1 85458951 MTJNAXCWJAHBTK-UHFFFAOYSA-N 229.323 2.406 0 40 BEAB O=C(O)c1ccc2c(c1)[C@@H](C1CCOCC1)CN2 91304305 MUXARBCAQJVQFW-GFCCVEGCSA-N 247.294 2.321 0 40 BEAB in-vitro Cc1ccc2c(c1)C1(CCNCC1)OC2 95093231 UORSZPLICSVXOA-UHFFFAOYSA-N 203.285 2.104 0 40 BEAB N[C@]1(c2ccccc2)CCN(c2ccncc2)C1 95098155 NXQMUJWPYHDXJU-OAHLLOKOSA-N 239.322 2.146 0 40 BEAB COc1ccc(C(=O)CCn2ccnc2)cc1 95348301 OXLAPCYQIDDYBW-UHFFFAOYSA-N 230.267 2.165 0 40 BEAB in-vitro CCC[C@](C)(O)c1ccc2c(c1)OCO2 95739020 HAKCAEMYDOCNFI-LBPRGKRZSA-N 208.257 2.423 0 40 BEAB Cc1nnc(NCc2ccc(C)s2)o1 95976655 BKMSEHYDDZOZBS-UHFFFAOYSA-N 209.274 2.360 0 40 BEAB Cc1nc(Cl)cc(N[C@H](CCO)C(C)C)n1 96429768 QFGIJHCQKSASIP-SECBINFHSA-N 243.738 2.257 0 40 BEAB CCCCN(Cc1ccco1)C[C@@H](C)N 96523894 UVMJFMOOCSKQQI-LLVKDONJSA-N 210.321 2.229 0 40 BEAB C[C@H]1CCCC[C@@H]1OCCSc1cnn[nH]1 97014289 BJFHGKOXUHLXHL-UWVGGRQHSA-N 241.360 2.492 0 40 BEAB Cc1cccc(CN2CCC[C@@]2(C)CO)c1 97376373 CEBIAORRDVTNRD-AWEZNQCLSA-N 219.328 2.342 0 40 BEAB C[C@H]1[C@@H]2C[C@H]([C@H](CN(C)C)C2=O)C1(C)C 100990265 IORDCIHONMRMKU-XWLWVQCSSA-N 209.333 2.045 0 40 BEAB C[C@H](O)CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 131711692 NJXCCGHKHZEURI-SBFPOUOMSA-N 211.349 2.172 0 40 BEAB C[C@@H](NN)c1ccc(F)cc1Br 161802523 FVVUOKLWYNNBNE-RXMQYKEDSA-N 233.084 2.113 0 40 BEAB Cc1cc(C)cc(OC[C@@H]2COC(=O)O2)c1 169797535 GGXCUHILWCWACQ-LLVKDONJSA-N 222.240 2.218 0 40 BEAB NCCCNc1ccnc2c(F)cccc12 212274728 RLAXDSSKADRGDP-UHFFFAOYSA-N 219.263 2.135 0 40 BEAB Nc1c(F)cc(CC(=O)O)cc1C(F)(F)F 228906774 AQWNPNTWBIPKGA-UHFFFAOYSA-N 237.152 2.054 0 40 BEAB CCOC(=O)c1[nH]c2cccnc2c1C 238289074 HLYLDAYYASHNDZ-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB CN1[C@H]2CC[C@H]1[C@@H](Cc1ccccc1)[C@@H](N)C2 252515175 HTVQMHPPOYWTJI-AJNGGQMLSA-N 230.355 2.039 0 40 BEAB O=C(c1cc2ccccn2c1)N1CC[C@@H](CF)C1 893495929 WDMXCNKETMGAKU-NSHDSACASA-N 246.285 2.371 0 40 BEAB OCc1cccc(C2(C(F)(F)F)N=N2)c1 1565505437 QZAZXCJOBNXZHE-UHFFFAOYSA-N 216.162 2.360 0 40 BEAB Cc1occc(=O)c1OC(=O)c1cccs1 1463173 RKPGZAYUYSIQDR-UHFFFAOYSA-N 236.248 2.229 0 40 BEAB O=C(O)C[C@H](C/C=C/c1ccccc1)C(=O)O 1600264 USYIGOSTVXJXHA-ZPMKCOPCSA-N 234.251 2.265 0 40 BEAB O=C(NCc1ccco1)c1c(F)cccc1F 3476682 PERMJRFUIZFDQC-UHFFFAOYSA-N 237.205 2.488 0 40 BEAB Cc1ccc(NCN2C(=O)CSC2=O)cc1 3880748 VNLBQPDSCBGHGH-UHFFFAOYSA-N 236.296 2.060 0 40 BEAB CCn1ccc(-c2nc3ccccc3[nH]2)n1 12397143 MYMWYLGPHVHOLY-UHFFFAOYSA-N 212.256 2.446 0 40 BEAB Cc1ccc(SCC(=O)N(C)C)cc1C 12926128 APMDDOFAUZCDLM-UHFFFAOYSA-N 223.341 2.484 0 40 BEAB CNC(=O)c1cc(F)c(Cl)cc1Cl 14190485 RVIFPLWMFSSOCH-UHFFFAOYSA-N 222.046 2.492 0 40 BEAB Cc1ccc(CO[C@@H]2CCCNC2)cc1 14631605 GTCGUFNNLWTNRS-CYBMUJFWSA-N 205.301 2.264 0 40 BEAB in-vitro C[C@]1(CCC(=O)O)[C@@H]2CC[C@@]1(C)C(=O)C2 16806775 YMCGZMYNZAJAAY-ZHAHWJHGSA-N 210.273 2.247 0 40 BEAB CS(=O)(=O)c1ccc(-c2ccccc2N)cc1 16947470 MAJPUCFETKHLLV-UHFFFAOYSA-N 247.319 2.339 0 40 BEAB Cc1nc(-c2ccccc2F)ncc1C(=O)O 22124116 DGNUGSULDPRREF-UHFFFAOYSA-N 232.214 2.289 0 40 BEAB CC[C@H]1COC(=O)N1c1ccc(C=O)cc1 26897096 MQOMGKPMVWCQBK-JTQLQIEISA-N 219.240 2.234 0 40 BEAB Cc1cccc(C)c1OCCN1CCC(O)CC1 32104660 ZRQAGGDYTJUDCS-UHFFFAOYSA-N 249.354 2.139 0 40 BEAB CC(C)C[C@H](C)N(C)C(=O)n1ccnc1 32779629 LJCSTQABPABLJD-JTQLQIEISA-N 209.293 2.218 0 40 BEAB CCONC(=O)C(C)(C)Oc1ccc(F)cc1 32848322 LWIDZJWEOINXAV-UHFFFAOYSA-N 241.262 2.051 0 40 BEAB O=C(O)/C=C\c1ccc2c(c1)OC(F)(F)O2 33373921 KODLBMVQFGJDOK-RQOWECAXSA-N 228.150 2.106 0 40 BEAB CC(=O)c1ccc(SCC(=O)O)cc1 34289075 GQBFZYQARKRSKH-UHFFFAOYSA-N 210.254 2.066 0 40 BEAB Cc1ccccc1Cn1cc(C=O)cn1 34926154 CPJDHWQGAMSYJJ-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB Nc1cc(C(=O)Nc2cccnc2)ccc1F 35279443 JYUDBRJEYKWBOU-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCCN(CC)C(=O)c1ccc(C(=O)O)cc1 35347770 KQFNMRFNBZSYTR-UHFFFAOYSA-N 235.283 2.257 0 40 BEAB in-vitro Cc1cc(F)c2ncc(C(=O)O)c(O)c2c1 35731181 PRNQCVSSSDCJMA-UHFFFAOYSA-N 221.187 2.086 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@H](C)N)c(OC)c1 36056704 RRLUYITYNNJRHP-KPXOXKRLSA-N 221.300 2.155 0 40 BEAB COC(=O)c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1=O 38213063 PQQBYYODTLQHRT-WDEREUQCSA-N 244.290 2.167 0 40 BEAB CC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 48803298 FAKUXPQIHHCBCO-QWRGUYRKSA-N 248.326 2.259 0 40 BEAB CCOc1cccc(C(=O)Nc2cc[nH]n2)c1 49449534 CZXHHYUGNHXMMJ-UHFFFAOYSA-N 231.255 2.061 0 40 BEAB C[C@H](NC(=O)c1cccnc1N)c1ccccc1 50201112 WZARVFBGTBKYHS-JTQLQIEISA-N 241.294 2.155 0 40 BEAB COC(=O)[C@H](O)c1ccc(Cl)cc1Cl 50974523 MBKWYAIWCGDULQ-MRVPVSSYSA-N 235.066 2.200 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)N1CCCC1 57500164 WCQOIOOELNYCFG-LBPRGKRZSA-N 219.284 2.298 0 40 BEAB C[C@@H]1Cc2c(Br)cccc2C(=O)N1 70587824 TXSSOAPEHHIASE-ZCFIWIBFSA-N 240.100 2.124 0 40 BEAB in-vitro CCOC(=O)C(=O)c1ccc(Cl)nc1Cl 71781624 YPIQXRVERCWORI-UHFFFAOYSA-N 248.065 2.134 0 40 BEAB CCNC(=O)N1CCCC[C@@H](SCC)C1 71899723 YRHFEQWKGICFIO-SNVBAGLBSA-N 230.377 2.324 0 40 BEAB Cc1ccc(-c2[nH]ncc2CN)cc1C 74211669 YCGATRZZCKLPNE-UHFFFAOYSA-N 201.273 2.152 0 40 BEAB CC1(C)[C@H](O)C[C@H]1OCc1ccccc1 85508340 BJKWKWODHKPZTO-VXGBXAGGSA-N 206.285 2.363 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@H](C)[C@H](C)CO 95441344 ZGAHCYHKPHXQFJ-VXGBXAGGSA-N 235.327 2.050 0 40 BEAB COc1ccc(-c2ccccc2N)nc1 95748793 PHUMJGBJCUJERY-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB in-vitro Cc1cc[nH]c(=O)c1C(=O)OCc1cccs1 96014201 KKMRQPXCXSOHJQ-UHFFFAOYSA-N 249.291 2.102 0 40 BEAB CC[C@@H](C[C@H](C)CO)Nc1cccc(F)n1 96436787 GTTOLSAKFIFOCH-UWVGGRQHSA-N 226.295 2.430 0 40 BEAB CSCC[C@@H](N)CN1CCCCCCC1 96523844 OTTDUIMUPJHQDD-GFCCVEGCSA-N 230.421 2.333 0 40 BEAB C[C@H]1CCC[C@@H](NC(=O)c2ccon2)CC1 188925009 CCIJOPQVZMTSRE-VHSXEESVSA-N 222.288 2.373 0 40 BEAB COc1ccc(-c2noc(-c3cnco3)n2)cc1 216619498 YGFPTTGJPNCOTC-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB CC(C)Nc1ncnc2sc(C(=O)O)cc12 217688056 PIHGQIUFOGKZKR-UHFFFAOYSA-N 237.284 2.210 0 40 BEAB Cn1c(CO)ccc1CCc1ccccc1 226028154 KNECWYSOOKZVKL-UHFFFAOYSA-N 215.296 2.303 0 40 BEAB CC(C)=CC1=NN[C@H]2CC(C)(C)CC(=O)[C@H]12 228921293 KABWVFXAWUNQFO-CMPLNLGQSA-N 220.316 2.286 0 40 BEAB COCC(=O)c1ccc(OC(F)F)cc1 229179346 DQPUMQBVQMBJDK-UHFFFAOYSA-N 216.183 2.117 0 40 BEAB FC(F)(F)c1nc2c(=S)[nH]cnc2[nH]1 307469311 NANLNJJKSCDHSF-UHFFFAOYSA-N 220.179 2.034 0 40 BEAB Cc1ccc(C(=O)N2CC(CC(F)F)C2)o1 335487890 HZKPDCMBTPHIGR-UHFFFAOYSA-N 229.226 2.315 0 40 BEAB COc1cccc(Cc2cc(O)nc(S)n2)c1 409432141 UJANKONFZNHVPE-UHFFFAOYSA-N 248.307 2.070 0 40 BEAB CC(=O)N1[C@H]2CC[C@H]1CC(Cc1cccnc1)C2 1565522123 RGWXMHPTTIPKFC-GJZGRUSLSA-N 244.338 2.414 0 40 BEAB CCC(CCO)(CCO)c1ccccc1 1580841 JDYDBAVDWRWTCJ-UHFFFAOYSA-N 208.301 2.099 0 40 BEAB CC[C@H](C)Cn1cnc2c(=S)[nH]c(N)nc21 1684038 AHVGGWOIZWQZPC-LURJTMIESA-N 237.332 2.117 0 40 BEAB NCc1coc(-c2cccc(Cl)c2)n1 57495611 XLOUUJZPYUNLCB-UHFFFAOYSA-N 208.648 2.454 0 40 BEAB CSC(=N)NC(=S)Nc1ccccc1 6571064 JNTVFBJMHSGJPK-UHFFFAOYSA-N 225.342 2.271 0 40 BEAB COC[C@H](C)NC(=O)c1c(C)[nH]c2ccccc12 32903713 RFFCRQFHNGTBSM-VIFPVBQESA-N 246.310 2.241 0 40 BEAB C[C@H](c1cccc(F)c1)N1CCC(O)CC1 56492920 XSXYJOZQXHRKFH-SNVBAGLBSA-N 223.291 2.343 0 40 BEAB COc1cccc(CN[C@@H]2CCCC[C@@H]2O)c1 21998196 KITNMKPUMWTLPQ-KGLIPLIRSA-N 235.327 2.088 0 40 BEAB CCn1c(=S)[nH]c2scc(C)c2c1=O 21949170 YYEVWPXQNRATJM-UHFFFAOYSA-N 226.326 2.449 0 40 BEAB in-vitro CCCC(=O)NCCN(C)c1ccccc1 53206975 WGEIQIMCUCGQEY-UHFFFAOYSA-N 220.316 2.039 0 40 BEAB CC(C)(C)NC(=S)Nc1ccc(O)cc1 54922188 UYZZSSMUFQUBLL-UHFFFAOYSA-N 224.329 2.477 0 40 BEAB Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2 58019170 GOWRILGFNJXFDW-UHFFFAOYSA-N 238.290 2.425 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1C 1466458 JDYUWJKBFSHZSD-LBPRGKRZSA-N 219.284 2.421 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366271 ONOBKWFGSCHVER-KWBADKCTSA-N 224.300 2.191 0 40 BEAB O=C(COC(=O)C1CCC1)c1ccc(F)cc1 3256064 YCEWRYSWBUXSJC-UHFFFAOYSA-N 236.242 2.352 0 40 BEAB CCn1nc(C)c(C(=O)C(F)(F)F)c1C 72209507 BOYGYIATQWDUMX-UHFFFAOYSA-N 220.194 2.265 0 40 BEAB Cn1ccc(NC(=O)/C=C/c2ccsc2)n1 44896877 CNFWHEZSNMVVJO-NSCUHMNNSA-N 233.296 2.134 0 40 BEAB NCCc1cc2cccc(Br)c2[nH]1 20269471 KEJSCYIKASMWRV-UHFFFAOYSA-N 239.116 2.432 0 40 BEAB O=C1CCC[C@H]2Cc3ccccc3C(=O)[C@H]12 68568668 WZYCLCDDHBOWSL-GWCFXTLKSA-N 214.264 2.411 0 40 BEAB COc1ccc(C)cc1CNc1cnn(C)c1 36813762 ZSUDAJPXGZOOAF-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB Brc1cccc(OC[C@@H]2CO2)c1 4200164 MJDGHPATEBXUTI-SECBINFHSA-N 229.073 2.227 0 40 BEAB in-vitro Nc1cccc2c(N3CCCC3)nccc12 82753937 CPSUKYRJYBSPCV-UHFFFAOYSA-N 213.284 2.417 0 40 BEAB CCCNC(=O)NCCSC(C)(C)C 67087887 CAZKLWFPPBLXET-UHFFFAOYSA-N 218.366 2.227 0 40 BEAB Cn1nc(C(F)(F)F)c(C(=O)O)c1C(F)F 78870105 HJJGDSOAEGXMJW-UHFFFAOYSA-N 244.119 2.075 0 40 BEAB in-vitro CO[C@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 9731021 JIAAFQJZASGXKZ-HNNXBMFYSA-N 245.322 2.380 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1ccc(C(F)(F)F)cc1 62713793 BBNDOWPZRLHQRV-MNOVXSKESA-N 245.244 2.130 0 40 BEAB O=C(NCC1CC1)c1cc(F)cc(F)c1 32909784 LQFGMMUAYBJLFL-UHFFFAOYSA-N 211.211 2.105 0 40 BEAB C[C@H](Oc1cccc(-c2cccnc2)c1)C(N)=O 32503322 USQSRMAGHJMQND-JTQLQIEISA-N 242.278 2.001 0 40 BEAB Fc1cccc2c1NCCC1(CCNCC1)O2 521396101 XCWOLPMTJYYUTN-UHFFFAOYSA-N 236.290 2.142 0 40 BEAB CN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207678 PRWFSZXEPFDTEG-WDEREUQCSA-N 242.363 2.241 0 40 BEAB C/C(=C\c1cccc2c1OCO2)[N+](=O)[O-] 77311858 FFOGDLITZIVKQY-FNORWQNLSA-N 207.185 2.053 0 40 BEAB in-vitro Cc1cc(C(=O)c2ccccc2)cnc1N 72222039 APLABBXFOVJDJX-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB O[C@@H](CNc1nccnc1Cl)c1ccccc1 43537719 CEDOTNJBEQQIIO-JTQLQIEISA-N 249.701 2.276 0 40 BEAB O=C(Nc1ccccc1)[C@@H]1CCCCCN1 80992913 ZAVKTXQFZUTIQZ-LBPRGKRZSA-N 218.300 2.157 0 40 BEAB CN(C)c1ccc(N)cc1C(=O)NC1CCCC1 40292301 VXNRCYYHTMOACT-UHFFFAOYSA-N 247.342 2.007 0 40 BEAB COc1ccc(C(=O)c2cccs2)cn1 43210666 ZOQUWRLALCZFPX-UHFFFAOYSA-N 219.265 2.383 0 40 BEAB CC[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1N 225407851 GIEOBHJBUTYVHH-SECBINFHSA-N 247.342 2.371 0 40 BEAB Cn1c(Cl)nc2cc(C(=O)NC3CC3)ccc21 225987210 IDIJQJRKLITAGB-UHFFFAOYSA-N 249.701 2.119 0 40 BEAB COc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1 82300502 NINNXYUMOSSPRF-UHFFFAOYSA-N 244.294 2.413 0 40 BEAB Nc1ccccc1CNc1ccccc1N 43827556 NVDBRWNSRBMUGT-UHFFFAOYSA-N 213.284 2.463 0 40 BEAB COc1cccc(N2CCCC[C@@H]2C(=O)O)c1 84531381 CEAUWTVAHFYLKW-GFCCVEGCSA-N 235.283 2.139 0 40 BEAB COC(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 95532202 VWMKTGCDENQQQD-UHFFFAOYSA-N 243.266 2.136 0 40 BEAB CC(C)O[C@H](Cc1ccccc1)C(=O)O 146008178 DWMNSDZTKBJXFA-LLVKDONJSA-N 208.257 2.107 0 40 BEAB CC(C)N1CCC2(CCC(O)CC2)CC1 336259822 VQQRGNJMYQUZIR-UHFFFAOYSA-N 211.349 2.412 0 40 BEAB N[C@H]1CCCN(CCCC2CCCC2)C1 96523560 BDSHWQKGRNAEMW-ZDUSSCGKSA-N 210.365 2.380 0 40 BEAB Cc1nc2nc(C(=O)O)ccc2c(C)c1C 95533184 DSECPKJIVZKDBW-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB Oc1ccc(F)cc1OCC(F)(F)F 169795934 PTKRSTBYXWJROB-UHFFFAOYSA-N 210.126 2.472 0 40 BEAB CN(C)c1ccc(CO)cc1Br 8701622 OFLXBUNZTDWFIA-UHFFFAOYSA-N 230.105 2.007 0 40 BEAB CCOC(=O)c1cc(CC)cnc1Cl 2507120 APQMAOWJHSXJTM-UHFFFAOYSA-N 213.664 2.474 0 40 BEAB COc1cc(SC)ccc1C(=O)NC1CC1 132081 NFBWKJNEBZTSEF-UHFFFAOYSA-N 237.324 2.309 0 40 BEAB O=C1c2ccccc2O[C@H](c2ccccc2)[C@@H]1O 161054 YEDFEBOUHSBQBT-HUUCEWRRSA-N 240.258 2.364 0 40 BEAB biogenic,in-vitro COc1ccc2ccccc2c1C(=N)N 1442758 RCIGPOBMYPKFBY-UHFFFAOYSA-N 200.241 2.132 0 40 BEAB in-vitro Cc1c(C)[n+]([O-])c(-c2ccc(Cl)cc2)n1O 1568642 DKNYDFDCSRZZPS-UHFFFAOYSA-N 238.674 2.296 0 40 BEAB CC[C@H]1c2cc(O)c(OC)cc2CCN1C 1719352 LSSNGUXKALZUIF-NSHDSACASA-N 221.300 2.340 0 40 BEAB biogenic N=C(N)COc1cc(Cl)ccc1Cl 3165142 PKZKDGIMVGMHTL-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB Cc1ccc(C(=O)O[C@@H]2CCCN(C)C2)s1 3258319 ZLYRZPYUKAIUIR-SNVBAGLBSA-N 239.340 2.308 0 40 BEAB Cc1cc(C)c(C)c(SCC(N)=O)c1C 5039783 ZXDMGWKSJKEFQF-UHFFFAOYSA-N 223.341 2.498 0 40 BEAB Cc1cc(O)cc(=O)n1Cc1ccccc1F 6130797 ZOCPKGFZTHQUNY-UHFFFAOYSA-N 233.242 2.050 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1 7307818 LKASJCNNFUKDLF-QMMMGPOBSA-N 247.747 2.417 0 40 BEAB C[C@@H]1CCc2c(c3ccccc3[nH]c2=O)O1 8579903 GOUGXEZJGPPHNS-MRVPVSSYSA-N 215.252 2.242 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2 8803925 GFTSVTFGBUERSC-UHFFFAOYSA-N 232.283 2.310 0 40 BEAB CCNC(=S)Nc1cccc(OCC)c1 9697118 KXAIWEFWORHNLE-UHFFFAOYSA-N 224.329 2.392 0 40 BEAB Cc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 15776996 AZFSEQTWUFMLBM-UHFFFAOYSA-N 215.256 2.130 0 40 BEAB C[C@@H](NN)c1ccc(C(F)(F)F)cc1 19511958 TZKVOQWRDYPRAK-ZCFIWIBFSA-N 204.195 2.230 0 40 BEAB COc1cccc(Cc2n[nH]c(=S)o2)c1 20584081 SIFMIXUMYIIXFG-UHFFFAOYSA-N 222.269 2.332 0 40 BEAB COC(=O)[C@@H](C(C)C)N1C[C@H](C)C[C@@H](C)C1 22123347 XGODMWPEWRNOJL-IJLUTSLNSA-N 227.348 2.162 0 40 BEAB O=C(NCCc1ccco1)NC1CCCCC1 23584802 SWZJJTJOIRBVTJ-UHFFFAOYSA-N 236.315 2.454 0 40 BEAB O=C(NC1CCCCCC1)C1CCOCC1 32731233 YMSRYINCYRNIGE-UHFFFAOYSA-N 225.332 2.252 0 40 BEAB Cc1ccc(C(=O)N2CCCC[C@@H]2C)cn1 32903744 XTDNGBXBCQCYLQ-NSHDSACASA-N 218.300 2.405 0 40 BEAB Nc1ccc(F)cc1CN1CCCCC1 35308399 OQHYISBZTZAVIZ-UHFFFAOYSA-N 208.280 2.394 0 40 BEAB OCc1ccc(Oc2cccnc2)cc1 36904280 PFGJAPMUQQERGB-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB in-vitro CCc1c(-c2ccc3c(c2)OCO3)noc1N 36916572 KYXZHSOSRQZUNJ-UHFFFAOYSA-N 232.239 2.215 0 40 BEAB CC(C)C(=O)c1ccc2nc(O)oc2c1 36944967 OINVUOULQDNSJV-UHFFFAOYSA-N 205.213 2.372 0 40 BEAB in-vitro CCC(=O)N(c1ccccc1)[C@H]1CCNC[C@H]1C 38919196 REORAZISQPSCHR-OCCSQVGLSA-N 246.354 2.428 0 40 BEAB Clc1cncc(NCc2cccnc2)n1 42256416 JYCQTMUXKDCUKF-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB Cc1csc(CNC(=O)Nc2ccccn2)n1 44967480 XKMCZFYUKHLYQY-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB CCc1ncc(C(=O)NC(C)(C)C)s1 49157917 GQYHRIDUKUMDMH-UHFFFAOYSA-N 212.318 2.234 0 40 BEAB O=C(Nc1ncccc1O)[C@@H]1C[C@H]1c1ccco1 49398359 FLKUXOREDIJGHN-RKDXNWHRSA-N 244.250 2.122 0 40 BEAB C[C@@H]1CN(C(=O)CC2CCCC2)[C@H](C)CO1 65604339 NEQDQLFXXVXBEL-GHMZBOCLSA-N 225.332 2.203 0 40 BEAB CC(C)(N)COc1ncccc1C(F)(F)F 70838520 IYQPJMLUGZQVJQ-UHFFFAOYSA-N 234.221 2.217 0 40 BEAB CCN(CC)C(=O)C(C)(C)Br 71524086 RNCSKZKHNRKWAO-UHFFFAOYSA-N 222.126 2.028 0 40 BEAB O=C(O[C@@H]1CCCCO1)[C@H]1C[C@H]2C=C[C@@H]1C2 71789816 MHUBFPQGHSPRRB-WHOHXGKFSA-N 222.284 2.268 0 40 BEAB CCO[C@@H]1CCCN(CCc2ccccn2)C1 71915701 HMDDTXJRIUYSPG-CQSZACIVSA-N 234.343 2.125 0 40 BEAB CCNCC1CCN(C(=O)OC(C)(C)C)CC1 72194411 GGCSYCMKWQRFMZ-UHFFFAOYSA-N 242.363 2.243 0 40 BEAB C[C@H](CC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 72208304 XFBVMJNPJAEPAT-HTQZYQBOSA-N 231.292 2.010 0 40 BEAB CNc1cc(C)c([C@@H]2CCCN2C(C)=O)cn1 72219033 MHVSSHZAWYIUNK-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 72227332 AAZUWUNMNWDQID-ZIAGYGMSSA-N 238.290 2.102 0 40 BEAB C[C@H]1CCC[C@@H](OCC(=O)N2CCCC2)C1 84689636 NVTZYABFJBSWBE-NWDGAFQWSA-N 225.332 2.204 0 40 BEAB Cn1cncc1CNc1ccc(F)cc1F 85167734 NMPUPSCFYJWKLA-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB O=C1C[C@H](C(=O)O)[C@H](c2ccccc2Cl)O1 85394740 NFZQACJEHJLFGG-XVKPBYJWSA-N 240.642 2.029 0 40 BEAB COc1ccc(F)cc1[C@H]1CCC[C@@H]1O 95729011 CUVDNZLWSOKJAJ-KOLCDFICSA-N 210.248 2.463 0 40 BEAB CCCOc1ccccc1C(=O)C(=O)OCC 95730604 XUPSXMRKTMZRHN-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB COCc1ccc(C(=O)c2ccccn2)cc1 95740334 FRHDUWBYBLUOOK-UHFFFAOYSA-N 227.263 2.459 0 40 BEAB Cc1cc(NCc2csc(C)n2)no1 95990329 TWKAFICPOWWNEE-UHFFFAOYSA-N 209.274 2.360 0 40 BEAB CCSCCNC1(C(=O)OC)CCCCC1 96424211 RDSSVXQMJRNZKF-UHFFFAOYSA-N 245.388 2.205 0 40 BEAB COc1ccc(CN2CCCC[C@@H]2CN)c(C)c1 96523576 QOYGDBZEXQXREY-CQSZACIVSA-N 248.370 2.317 0 40 BEAB COC[C@H](C)C(=O)Nc1cccc(C)c1C(C)=O 97103700 JSWVDGIRHZMDOF-JTQLQIEISA-N 249.310 2.419 0 40 BEAB CN1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 100010385 HENUDNYKZHNMCC-QWRGUYRKSA-N 240.347 2.136 0 40 BEAB CC(=O)N1C[C@@]23C=C[C@H](C[C@@H]2CC12CCCC2)O3 101427076 QLOISECRUXBCQN-NFAWXSAZSA-N 247.338 2.265 0 40 BEAB COCC[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C 110614878 HTFGYHDJXIFHMC-UTUOFQBUSA-N 242.363 2.241 0 40 BEAB Cc1ccncc1NC(=O)c1cncc(F)c1 128702401 WIIYOHAQWIDQQQ-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB CNc1ncnc(C(F)F)c1Br 217581451 RWTZEAKKZQJLRA-UHFFFAOYSA-N 238.035 2.218 0 40 BEAB COc1ccccc1N[C@H]1CCCC[C@@H]1N 218857962 HKMJGMFSZBIRSZ-QWRGUYRKSA-N 220.316 2.377 0 40 BEAB Cc1ccc(N[C@@H]2C=CS(=O)(=O)[C@@H]2C)cc1 575419522 BLZAVRNYUJVOKP-ZYHUDNBSSA-N 237.324 2.106 0 40 BEAB COC(=O)C[C@@H]1COc2c(C)cccc21 585656342 FDDISUDZSAPEOY-SECBINFHSA-N 206.241 2.034 0 40 BEAB COc1ccc([C@@H](CN)N2CCC(C)CC2)cc1 32522373 GQYRFJTWOUTTBI-OAHLLOKOSA-N 248.370 2.427 0 40 BEAB O=C(c1ccccc1)N1O[C@@H]2C=C[C@H]1CC2 1574036 UDSPWWLYUFTTAW-NWDGAFQWSA-N 215.252 2.161 0 40 BEAB CC(C)(C)OC(=O)Nc1ncccc1C(=O)O 2386128 QOLVIDCTVDCBCQ-UHFFFAOYSA-N 238.243 2.127 0 40 BEAB COC1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 102343433 ASQKYBGRVICBFR-VXGBXAGGSA-N 237.343 2.060 0 40 BEAB Cc1cc(C(=O)NCc2cnn(C)c2)sc1C 2730830 QPLCZBNYOFLOMW-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2C1 32975423 UPIKJVYTQDOKCW-ZWNOBZJWSA-N 215.296 2.227 0 40 BEAB COc1ccc(OC)c2c1[C@@H]1CC[C@@H]2C1=O 101037467 JMZQAOHFIUWTRD-YUMQZZPRSA-N 218.252 2.248 0 40 BEAB Cc1cccnc1Nc1cc(Cl)nc(N)n1 59916511 GARSTLSQYMEHFU-UHFFFAOYSA-N 235.678 2.159 0 40 BEAB CCO/C=C1\N=C(Cc2ccccc2)OC1=O 8652805 KDXYERQLMHLLJT-LUAWRHEFSA-N 231.251 2.062 0 40 BEAB CN(Cc1cccnc1Cl)C[C@H]1CCCO1 52709434 QQDDZNARCAPBIG-LLVKDONJSA-N 240.734 2.346 0 40 BEAB C[C@H](C(=O)NC1CCCCC1)N1CCCCC1 33040167 QHSMLDFEILUCOS-GFCCVEGCSA-N 238.375 2.310 0 40 BEAB Cc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 22459329 RARBTMQJMBPOEP-UHFFFAOYSA-N 231.280 2.288 0 40 BEAB O=C(NCCOc1ccccc1)c1ccoc1 23135794 NKTZOZOJYKIIJT-UHFFFAOYSA-N 231.251 2.088 0 40 BEAB CCOC(=O)CN(C)[C@@H]1CCc2ccccc21 42635271 NGAUZZFSEGBMCE-CYBMUJFWSA-N 233.311 2.169 0 40 BEAB CC(C)[C@@H](C)NC(=O)Nc1nccs1 42737862 HRZSJBUKCUSLNU-SSDOTTSWSA-N 213.306 2.309 0 40 BEAB COc1ccccc1CNc1ccn(C)n1 20350237 XNNGFBAPBOZPDD-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB CCCC(=O)N1CCO[C@@H](c2ccccc2)C1 36076015 MDPDTDCSFSZNRK-CYBMUJFWSA-N 233.311 2.387 0 40 BEAB Cc1ccccc1[C@@H]1CCCN1C(=O)CCN 37817316 UPDMFHUZZGRWLA-ZDUSSCGKSA-N 232.327 2.007 0 40 BEAB O=C(O)[C@H]1CCCO[C@@H]1c1ccccc1 36379619 PLTXACXZZGZCLU-WDEREUQCSA-N 206.241 2.239 0 40 BEAB CC[C@H](C)C(=O)NCc1ccccc1COC 36394862 WQXVOPBPLHYTSD-NSHDSACASA-N 235.327 2.495 0 40 BEAB Fc1cccc(Nc2ncnc3[nH]cnc23)c1 3356766 WYLXIAAXCHOARG-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB in-vitro CC(C)N1CC[C@@H](NCCc2ccccc2)C1 45650325 LYSFMBILQUBYDJ-OAHLLOKOSA-N 232.371 2.301 0 40 BEAB CC[C@H](C)C(=O)Nc1nnc(C2CC2)s1 12734488 MKIKWGCUHDWULN-LURJTMIESA-N 225.317 2.400 0 40 BEAB CC(C)CC(=O)N[C@H](C)c1cccnc1 48332836 MLWUQMRTTAACAU-SNVBAGLBSA-N 206.289 2.305 0 40 BEAB C[C@@H](NS(C)(=O)=O)c1cc2ccccc2o1 48840450 OUAOQABGAYMHLF-MRVPVSSYSA-N 239.296 2.043 0 40 BEAB O=C(O)[C@H]1CCCN1Cc1ccc(F)c(F)c1 82549945 JCPZNJGPDBFYDX-LLVKDONJSA-N 241.237 2.014 0 40 BEAB C[C@@H]1C(=O)CCN(Cc2ccco2)[C@@H]1C 4127237 JTDIADXWGUFCRY-VHSXEESVSA-N 207.273 2.079 0 40 BEAB CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 28575762 CULIBIWFRVFQBQ-GHMZBOCLSA-N 235.331 2.021 0 40 BEAB CCn1ccs/c1=N\C(=O)c1cccs1 408561151 GWJZRDYMYFKFNZ-KHPPLWFESA-N 238.337 2.372 0 40 BEAB COC(=O)c1cc2c(OC)ccc(F)c2[nH]1 98209953 HLBVMTKGHOJWLM-UHFFFAOYSA-N 223.203 2.102 0 40 BEAB in-vitro COCC[C@H](NC(=O)NC1(C)CCC1)C(C)C 95974509 QZLFCAROMCFKAE-NSHDSACASA-N 242.363 2.289 0 40 BEAB CCOC(=O)c1[nH]c(-c2ccco2)cc1N 21303946 GIXHNQHBLPIRAL-UHFFFAOYSA-N 220.228 2.034 0 40 BEAB CCOC(=O)c1cc(C)n(Cc2ccccc2)n1 3851844 SKWMMSUYSUVJKJ-UHFFFAOYSA-N 244.294 2.417 0 40 BEAB biogenic CCCN1CCC[C@H]1c1cccnc1O 72212308 HJUXTPOYTZAHRF-NSHDSACASA-N 206.289 2.334 0 40 BEAB CCC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 217847449 KFYLHJUNGYIXAL-NXEZZACHSA-N 229.320 2.157 0 40 BEAB Cc1ccncc1NC(=O)c1cccc(CN)c1 71412527 UBSLUJMCAVJVGM-UHFFFAOYSA-N 241.294 2.101 0 40 BEAB COc1ccc(-c2cc(O)on2)cc1OC 71976577 YJWKQOCCSRFZCX-UHFFFAOYSA-N 221.212 2.064 0 40 BEAB OCCNCc1cc(Cl)ccc1Cl 79420120 XSTDAPDANPWBFW-UHFFFAOYSA-N 220.099 2.075 0 40 BEAB NCCc1cnc(Cc2ccc(F)cc2)s1 218359823 JBSGYIVMEBXVIY-UHFFFAOYSA-N 236.315 2.374 0 40 BEAB COc1cccc(O[C@H](C)C(=O)N2CCCC2)c1 30863142 IPNDIMCFNUQPCT-LLVKDONJSA-N 249.310 2.085 0 40 BEAB O=C(Cn1ncc2ccccc21)N1CCCCC1 89873288 UPUHUDLLEUBECW-UHFFFAOYSA-N 243.310 2.049 0 40 BEAB CC(=O)Nc1c(C)cc2nc(N)sc2c1C 45888343 MOHHHJRTOOMLOR-UHFFFAOYSA-N 235.312 2.454 0 40 BEAB CCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccccc1 49466553 ZRMONEDUYHHAAX-WCQYABFASA-N 247.294 2.071 0 40 BEAB Cn1ncc2c1NCC[C@H]2c1ccccc1 225814668 KICQIGMRMMBQJE-NSHDSACASA-N 213.284 2.368 0 40 BEAB CCc1cc(N)ccc1-c1ccc(C(N)=O)o1 226314896 YBIAOCBMRHCMBC-UHFFFAOYSA-N 230.267 2.190 0 40 BEAB OCC1(Oc2ccc3c(c2)CCCC3)CC1 96511790 YDPXQLJLWCWFPS-UHFFFAOYSA-N 218.296 2.469 0 40 BEAB CC(C)(C)C[C@H](O)C1(CO)CCCC1 96527339 SRUWBBPQBOFGBS-JTQLQIEISA-N 200.322 2.336 0 40 BEAB CS(=O)(=O)c1cc[nH]c1-c1ccccc1 96532666 MGIONBMODPRBHX-UHFFFAOYSA-N 221.281 2.085 0 40 BEAB CC(C)n1ncc(C(=O)N2CCCO2)c1C1CC1 96011082 REGBVNCKLIBYLD-UHFFFAOYSA-N 249.314 2.119 0 40 BEAB COC(=O)CC(=O)Cc1c(C)[nH]c2ccccc12 257237908 HITKOVYTKCPMRT-UHFFFAOYSA-N 245.278 2.151 0 40 BEAB Cc1cccc(C)c1N(C)[C@H](C)C(=O)O 260679611 SUPOSRWDUKXHCI-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB CCOC(=O)CN(C)Cc1sccc1C 48374147 LRIZIIQRMMKVNR-UHFFFAOYSA-N 227.329 2.051 0 40 BEAB Fc1ccc2c(NC3CC3)ncnc2c1 72879456 WFFYTNCVSIYREK-UHFFFAOYSA-N 203.220 2.343 0 40 BEAB CO[C@@H]1CCCN(Cc2cccs2)C1 91772851 KQTTXNMQEDIVCX-SNVBAGLBSA-N 211.330 2.359 0 40 BEAB CCN(CC)CCN[C@@H]1CCC[C@@H](C)C1 97050801 GKBWQQSWLKFEGV-CHWSQXEVSA-N 212.381 2.497 0 40 BEAB CNC(=O)c1ccccc1NCC(C)C 79016463 LAHWDRLCRCSYGK-UHFFFAOYSA-N 206.289 2.114 0 40 BEAB C[C@H]1CCCC2=C1[C@H](O)c1cccc(N)c1[C@@H]2O 5392877 MCDCWSCFBGBCNF-PVJOKMEKSA-N 245.322 2.466 0 40 BEAB Cc1ccc(C(C)C)c(OCC(=N)N)c1 19505332 LFWSQYWIGCVXJA-UHFFFAOYSA-N 206.289 2.433 0 40 BEAB CC(C)NC1CCN(C(=O)OC(C)(C)C)CC1 15022076 GVPSIFSYYZXVQC-UHFFFAOYSA-N 242.363 2.384 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2ccc(O)cc2)cn1 20211324 WZOOCRVBCPMPFD-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB FCCCCCN1CCO[C@@H]([C@H]2CCCO2)C1 252537296 KXOLULNBAYGQGR-CHWSQXEVSA-N 245.338 2.006 0 40 BEAB CN(Cc1ccccc1F)C(=O)c1ccccn1 32960780 FYKVJTKKHQSSSZ-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB F[C@H]1COC[C@@H]1Nc1ccc2ccccc2n1 585298211 RKHOZHVBAOVFFO-JQWIXIFHSA-N 232.258 2.384 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1c(F)cccc1F 575361948 UJQUEIWBMLMOJS-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB C1=C2CCCN[C@@H]2[C@H]2C[C@H]1[C@H]1CCCCN1C2 100211043 SKOLRLSBMUGVOY-XQLPTFJDSA-N 232.371 2.169 0 40 BEAB biogenic,in-vitro COc1ccc2c(C(=O)O)nsc2c1 40434549 TVWVDWCIELUGGY-UHFFFAOYSA-N 209.226 2.003 0 40 BEAB in-vitro COc1ccc(C(N)=O)cc1OC1CCCC1 161560 UOYVPADOZOGKLB-UHFFFAOYSA-N 235.283 2.116 0 40 BEAB CC[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 40514187 AAGUGWGPZPKMLL-SNVBAGLBSA-N 222.288 2.245 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnns1 40554539 KRPFCGPMZMRHKY-MRVPVSSYSA-N 245.307 2.130 0 40 BEAB Cc1nc(CNC(=O)Nc2cccnc2)cs1 40553489 MWVBCAONXCXVHC-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB CCNC(=O)NCc1cccc(Cl)c1 1640 ATMWYLVZVAXVDZ-UHFFFAOYSA-N 212.680 2.159 0 40 BEAB in-man CCC(=O)n1ccc(C(=O)Nc2ccccc2)n1 45809 PXZOARRWISFUCS-UHFFFAOYSA-N 243.266 2.186 0 40 BEAB O=C(O)c1ccc(-n2nnc3ccccc32)cc1 320458 FIZQRWMBURRTGD-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB O=C(OCCc1ccccc1)C1(O)CCCCC1 1591862 LLWHFTCPMRQJJO-UHFFFAOYSA-N 248.322 2.468 0 40 BEAB CC(C)CNC(=O)c1cc(Cl)ccc1O 1689013 PFUSLMCUQXYILX-UHFFFAOYSA-N 227.691 2.431 0 40 BEAB Cc1ccc(-c2csc(CCNC=O)n2)cc1 3768004 AAOSRYRATDRXNQ-UHFFFAOYSA-N 246.335 2.407 0 40 BEAB C[S@](=O)Cc1cc(-c2ccccc2)no1 6483080 XXJYFHASDKNSTD-OAHLLOKOSA-N 221.281 2.220 0 40 BEAB O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F 8324320 QBFYQMMKZRQMBH-SECBINFHSA-N 234.173 2.054 0 40 BEAB O=C(NC1CC1)c1cc2ccccc2cc1O 17122103 KCFQWQHALOCDCV-UHFFFAOYSA-N 227.263 2.438 0 40 BEAB C[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 19437178 LCUJMQMTEDSTLS-JSGCOSHPSA-N 246.354 2.335 0 40 BEAB Cc1onc(-c2cccc(F)c2)c1C(=O)O 19682376 BOTWBGBHYPTPRX-UHFFFAOYSA-N 221.187 2.487 0 40 BEAB Cc1nn(C)c(Oc2ccc(F)cc2)c1C=O 20445397 KKXIIZLODOTOGZ-UHFFFAOYSA-N 234.230 2.472 0 40 BEAB O=C(O)c1n[nH]c2c(OC(F)(F)F)cccc12 22014041 LAJOFHIWXSUJIE-UHFFFAOYSA-N 246.144 2.160 0 40 BEAB Cc1cc(Oc2ncccn2)ccc1N 22144784 XYXKJNQJZOFSQJ-UHFFFAOYSA-N 201.229 2.160 0 40 BEAB in-vitro Cc1noc([C@H](C)Nc2ccc3c(c2)OCO3)n1 26982040 CFEOYUPFCWDESQ-ZETCQYMHSA-N 247.254 2.280 0 40 BEAB Cc1cc(N(C)[C@@H](C)C2CC2)nc(C)n1 32769942 GKARLKMBOMAUNQ-VIFPVBQESA-N 205.305 2.328 0 40 BEAB CNC(=O)c1cc2ccc(F)cc2nc1C 32857487 XTBYDIXZNAOPDG-UHFFFAOYSA-N 218.231 2.042 0 40 BEAB CC(C)(C)NC(=O)c1ccn(-c2ccccc2)n1 32967575 WBDCEDFFKMCJAA-UHFFFAOYSA-N 243.310 2.401 0 40 BEAB Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 34109500 LCLWEOIMXMEDKX-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro C=CC(=O)Nc1ccc(OCC)c(OC)c1 36334707 XPTSRAGAOYQQGC-UHFFFAOYSA-N 221.256 2.218 0 40 BEAB in-vitro CCCCc1c(C)nc2nc(S)nn2c1C 36379557 RWWSALCPFWNLQI-UHFFFAOYSA-N 236.344 2.372 0 40 BEAB in-vitro COc1cc(Cl)c(O)c(C(C)=O)c1 36719745 BCPZFNZWDMYMJN-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB CCNCc1c(CSC)cnc(C)c1O 38615568 VGWRNXUFWFDSCH-UHFFFAOYSA-N 226.345 2.068 0 40 BEAB in-man CCOc1ccc(N)c(SC(C)=O)c1 39099765 UXDDDUYEIUETNR-UHFFFAOYSA-N 211.286 2.306 0 40 BEAB Cc1cccc(NC(=O)CCc2cccnc2)n1 40472894 WWSURMBUUWMKFR-UHFFFAOYSA-N 241.294 2.356 0 40 BEAB CC[C@H]1CCCN(C(=O)CSCCOC)C1 40514178 OLIYDUGGFVIBDJ-NSHDSACASA-N 245.388 2.015 0 40 BEAB CCO[C@H](C)C(=O)NCc1ccc(Cl)s1 40534055 CYNUCKHKZUCLMV-SSDOTTSWSA-N 247.747 2.443 0 40 BEAB CCCN(CCC)C(=O)c1ccnc(N(C)C)c1 40535467 DQUSOLHQTQJYND-UHFFFAOYSA-N 249.358 2.410 0 40 BEAB CCOCCCNC(=O)c1cc(C)ccc1C 41590877 NZMHWDMJAFNTSD-UHFFFAOYSA-N 235.327 2.460 0 40 BEAB O=C(Cc1ccccc1)OCCC1CCNCC1 42768750 PYYCVQTXVSLFPN-UHFFFAOYSA-N 247.338 2.162 0 40 BEAB CCOC(=O)Cc1c(F)cc(F)cc1F 43503698 YNRBMAMRMQJKBW-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB NCCc1cc(F)cc(Br)c1 44397293 PIHQIURSIOLYJN-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCCCc1ccccc1 44866039 HEMJRMPGCWQHEW-AAEUAGOBSA-N 217.312 2.391 0 40 BEAB CC(=O)Nc1ccc(C)c(NC(=O)NC2CC2)c1 48279872 QAFAAWKLBBQHNB-UHFFFAOYSA-N 247.298 2.237 0 40 BEAB Cc1ccc(N(C)CC(=O)O)cc1Cl 49815522 SRDWZVHDONPNGM-UHFFFAOYSA-N 213.664 2.169 0 40 BEAB CCc1cccc2c(C(=O)O)cc(O)nc12 62152251 BVWWPTDSOILEBY-UHFFFAOYSA-N 217.224 2.201 0 40 BEAB CCOC(=O)[C@H]1CC(=S)Nc2ccccc21 65336798 MBUHKOCHFHPXJK-VIFPVBQESA-N 235.308 2.476 0 40 BEAB C[C@H](NCC1CC1)c1ccc(-n2cncn2)cc1 66970249 OBEOSVWWHJHCEN-NSHDSACASA-N 242.326 2.328 0 40 BEAB O=C(c1ccon1)N1CC[C@@H]2CCCC[C@H]21 72057294 ZZSDUACRBVLCLG-GXSJLCMTSA-N 220.272 2.079 0 40 BEAB CCCNc1ccc([C@H]2CCCN2)cn1 72213177 BROUATNQNACHCI-LLVKDONJSA-N 205.305 2.328 0 40 BEAB COCc1ccccc1NC(=O)c1cc(C)n[nH]1 72272880 ZGJKCVXKOJXBPZ-UHFFFAOYSA-N 245.282 2.117 0 40 BEAB COc1ccc(-c2ccnc3nc(C)nn23)cc1 72439770 OPQOFMMPYMVUKY-UHFFFAOYSA-N 240.266 2.108 0 40 BEAB O=C(O)/C=C/c1ccccc1-c1cncnc1 83324633 AYDPGUCHXWIFLQ-AATRIKPKSA-N 226.235 2.241 0 40 BEAB O=c1cc(-c2cccc(Cl)c2)nc[nH]1 96530910 SJDOUASUTAQNBG-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB Cc1ccc(CCN[C@H](CO)C(C)C)cc1 97094668 OXMLHXUQGXZEQF-CQSZACIVSA-N 221.344 2.144 0 40 BEAB O=C(CCC(F)(F)F)Nc1cccnc1 173029996 HNAPKCBQOIQRSE-UHFFFAOYSA-N 218.178 2.363 0 40 BEAB Cn1ccc2cncc(Br)c21 223956590 VFDCUIJTQOBBGP-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB Cc1nc(S(C)(=O)=O)c2ccccc2c1C 225747738 WBEUWOXMXSELJG-UHFFFAOYSA-N 235.308 2.255 0 40 BEAB CCOC[C@H](O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 245316837 KUHYGFZTKSQOJJ-XJFOESAGSA-N 241.375 2.037 0 40 BEAB Cc1c(NCc2ccnn2C(C)C)cnn1C 256051210 IEIBMBRBULPYML-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1cc(-c2cc([C@H]3CCCN3)ccn2)[nH]n1 257228455 FTXRIQFEULMSJH-LLVKDONJSA-N 228.299 2.205 0 40 BEAB CC(=O)Oc1ccccc1C(=O)[C@@H](C)Cl 393730864 PATGITQBVDYZCU-SSDOTTSWSA-N 226.659 2.422 0 40 BEAB O[C@H]1CC[C@@H]1Nc1cccc(C(F)(F)F)n1 585298585 XSVVXFORXOYZSB-BQBZGAKWSA-N 232.205 2.036 0 40 BEAB Nc1cccc(C2=N[C@H]3C=CC=C[C@H]3N=C2)c1 169281 NXWUUVBGDHHZDU-OLZOCXBDSA-N 223.279 2.006 0 40 BEAB C[n+]1cccc(-c2nc3ccccc3[nH]2)c1 242376 WROCBOCRSWKZHW-UHFFFAOYSA-N 210.260 2.054 0 40 BEAB Cc1ccnc(NC(=O)c2cccc(N)c2)c1 362327 BYCBOQDGYKGCIT-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCOC(=O)Nc1ccsc1C(=O)OC 369092 KCJYKWHUIACPDK-UHFFFAOYSA-N 229.257 2.103 0 40 BEAB CCC1C(OC)=CC(CC)(CO)C=C1OC 1582490 FVTJLYYYCMGIHA-UHFFFAOYSA-N 226.316 2.476 0 40 BEAB CCC[C@@H]([C@@H](CC)CN(C)C)N(C)C 1662274 SJLKSOZBYOLBNB-RYUDHWBXSA-N 200.370 2.305 0 40 BEAB Nc1nccc(SCc2ccccc2)n1 1675979 AGQORXUJLZCLOM-UHFFFAOYSA-N 217.297 2.351 0 40 BEAB NC(=O)c1cccc(SC(F)F)c1 2382140 OWDXYDAZMDKZMO-UHFFFAOYSA-N 203.213 2.100 0 40 BEAB COc1ccc(-c2ccc(C(N)=O)o2)cc1 3848455 ZURJHNWXHWLCDM-UHFFFAOYSA-N 217.224 2.054 0 40 BEAB biogenic CCN1C[C@H]2CCN[C@@H]2c2ccccc21 4202988 VLWRWRLWJUVOTM-MFKMUULPSA-N 202.301 2.177 0 40 BEAB CCOC(=O)[C@@H]1Cc2ccccc2C(=O)[C@@H]1C 4974554 DJRIVYVNVWOOAQ-BXKDBHETSA-N 232.279 2.241 0 40 BEAB CC(=O)Oc1cc(C)nn1-c1ccc(C)cc1 5034841 AVDRWBCJXCXBBQ-UHFFFAOYSA-N 230.267 2.414 0 40 BEAB CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 5879171 YQTXVWFGGPHAAL-TWGQIWQCSA-N 237.255 2.492 0 40 BEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccccc1 6440900 LYLQJTSHZYGWBO-UHFFFAOYSA-N 237.262 2.237 0 40 BEAB O=C1O[C@H]([C@@H](O)c2cccnc2)c2ccccc21 8651982 BRJQGOZCCGYHKL-STQMWFEESA-N 241.246 2.027 0 40 BEAB Cc1cc(NC(=O)CN2CCCCC2)ccc1N 8703604 QUPQTSVILMZTTJ-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB CC[C@@H](N[C@@H]1C=Cc2ccccc21)C(=O)O 8730597 IQHUSHSXPCEVKW-VXGBXAGGSA-N 217.268 2.207 0 40 BEAB Cc1ccc(Cl)cc1N1CC[C@@H](CN)C1 11891612 VVHVVRVZRPSGIS-JTQLQIEISA-N 224.735 2.433 0 40 BEAB in-vitro CCn1c(CN)nc2cc(C)c(C)cc21 19750921 HXDJYZKLXUFHRX-UHFFFAOYSA-N 203.289 2.132 0 40 BEAB Cc1nn2c(N)ccnc2c1-c1ccccc1 20636185 XUAUDCHMVIGGKC-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB C[C@H](CNCc1ccncc1)Oc1ccccn1 35287336 QOADGHVCSCRBNU-GFCCVEGCSA-N 243.310 2.034 0 40 BEAB O=Cc1cccc(OCc2occc2C(=O)O)c1 35432651 BWMVXNOPPLVQCY-UHFFFAOYSA-N 246.218 2.369 0 40 BEAB in-vitro CNc1ccc(C=O)cc1Br 36381231 RUGCOJWVZDCHIH-UHFFFAOYSA-N 214.062 2.303 0 40 BEAB C1=CC(c2ccccc2)=Nc2nonc2N1 40175410 MMLRGYAPFPKSHG-UHFFFAOYSA-N 212.212 2.130 0 40 BEAB CCN(CC(=O)OC)Cc1ccc(Cl)s1 40473997 PDNLRWIGLUCJMG-UHFFFAOYSA-N 247.747 2.396 0 40 BEAB CCOC(=O)c1ccc(NC(C)=O)c(Cl)c1 44881050 WPZOGKWDBKBZHJ-UHFFFAOYSA-N 241.674 2.475 0 40 BEAB O=c1ccc(-c2nc(-c3cccs3)no2)c[nH]1 45894069 PDDZUHXDQJZCFM-UHFFFAOYSA-N 245.263 2.153 0 40 BEAB C[C@@H](NS(C)(=O)=O)c1cccc2ccccc12 48331655 KGELUNWPWFIDQZ-SNVBAGLBSA-N 249.335 2.450 0 40 BEAB N[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 50242677 YEWHSMVPJRZRQB-JTQLQIEISA-N 228.698 2.012 0 40 BEAB CCCC[C@H]1CCC[C@@H]1NC(=O)COC 68710555 OUJYZIBTFZBTPL-QWRGUYRKSA-N 213.321 2.108 0 40 BEAB Cc1cnn(C[C@@H](C)NCc2cccnc2C)c1 69569648 XQCDGUFCRJMWCG-GFCCVEGCSA-N 244.342 2.073 0 40 BEAB CN1CC[C@@H](N)[C@@H]1c1ccc(Cl)c(F)c1 69799077 SWUYIEMZURPOKG-MNOVXSKESA-N 228.698 2.183 0 40 BEAB in-vitro CCCN(C)[C@H](CO)c1ccc(OC)cc1 71904396 UXWJXMFBOMYVTK-CYBMUJFWSA-N 223.316 2.070 0 40 BEAB O=C(NCCc1ccc(F)cc1F)C1CC1 75001932 MDZDYFDWHJIAIA-UHFFFAOYSA-N 225.238 2.034 0 40 BEAB COC(=O)Cc1ccc(OC(F)F)cc1 78406439 QJHVXBUKLYONEA-UHFFFAOYSA-N 216.183 2.004 0 40 BEAB O=C(O)c1c(Cl)ncc2c1CCCC2 82964464 IZKCGXRZJZGJOR-UHFFFAOYSA-N 211.648 2.312 0 40 BEAB C[C@H](NCc1ccccc1F)[C@@H](C)C(=O)O 86297935 ONLCLSFGQPCXLO-BDAKNGLRSA-N 225.263 2.025 0 40 BEAB C1=C[C@H](N[C@@H]2CCN3CCC[C@@H]3C2)CCC1 90392799 HYJOOBJLHLGLBJ-BFHYXJOUSA-N 220.360 2.312 0 40 BEAB CCN(CC)CCN[C@@H]1CCCc2cccnc21 91660143 VVOQWADJCDSDAV-CQSZACIVSA-N 247.386 2.390 0 40 BEAB N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(F)cc1C2 95917695 QTWJFLNSIAWSAX-GBIKHYSHSA-N 205.276 2.278 0 40 BEAB C1CCC(COC2CC3(CNC3)C2)CC1 96509118 YIYTUJYITMNAQS-UHFFFAOYSA-N 209.333 2.335 0 40 BEAB NCC1([C@H](O)c2cccc(Cl)c2)CC1 96527069 FJCSPINWRDNSBF-SNVBAGLBSA-N 211.692 2.112 0 40 BEAB COc1cc(F)ccc1NCc1cocn1 97105577 QKGOUSNPOLWUCJ-UHFFFAOYSA-N 222.219 2.434 0 40 BEAB OC[C@H]1CCCC[C@H]1NC1CCSCC1 98012728 VGQKLIAGKJEWBB-ZYHUDNBSSA-N 229.389 2.023 0 40 BEAB Cc1c(N)cc(C(=O)O)cc1Br 98179548 QDEPUIKDNJPITF-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB Cc1noc(-c2oc3ccccc3c2O)n1 100139821 OMTBOVRULKEYGT-UHFFFAOYSA-N 216.196 2.497 0 40 BEAB OCc1ccc(OCC(F)F)cc1Cl 142476439 UHBIHXOYZAUHTA-UHFFFAOYSA-N 222.618 2.476 0 40 BEAB NCC[C@H]1CCCc2c1ncn2CC1CC1 217783692 YRBSJIYCBZJFBO-LLVKDONJSA-N 219.332 2.062 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@H]1[C@H]1C=C[C@H]2C1 225449481 BCXDKAVVMHYQOS-YTLHQDLWSA-N 203.163 2.126 0 40 BEAB CN[C@H]1CC[C@H](Cc2ccncc2)CC1 257260096 LBHDZHKHSDWXPY-AULYBMBSSA-N 204.317 2.402 0 40 BEAB CO[C@H]1CN(C2CCCC2)CC[C@@]12CCCO2 257262849 LNEIGNDIQBXHAH-KBPBESRZSA-N 239.359 2.199 0 40 BEAB Cc1nc2cc(C(F)(F)F)cnc2n1C 261509043 ZJEGGRFEEABHDP-UHFFFAOYSA-N 215.178 2.296 0 40 BEAB Cc1cnc(N2CC(Cc3ccco3)C2)nc1 624556918 CFJDLFKFWNQLKC-UHFFFAOYSA-N 229.283 2.057 0 40 BEAB Nc1cc(-c2ncccc2Br)no1 1536059873 OSUZRSPIOYDVCE-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB CC(C)C[C@]1(C)NC(=O)N(c2ccccc2)N1 99102 YSQJHBCVAOCZPY-CYBMUJFWSA-N 233.315 2.483 0 40 BEAB NC(=S)c1cc(Cl)nc(Cl)c1 162983 QZDZCVBAYMPTBM-UHFFFAOYSA-N 207.085 2.023 0 40 BEAB CCCCCC[C@@](C)(CC(N)=O)CC(=O)O 1670892 DNNMIIVSBZVDNQ-LBPRGKRZSA-N 229.320 2.313 0 40 BEAB Cc1ccnc(SC(=O)c2cccnc2)n1 3076046 FPDXQQBMKLHTHW-UHFFFAOYSA-N 231.280 2.113 0 40 BEAB CC1(C)[C@@H]2CCC(=O)[C@H]3CC[C@](C)(O)[C@H]3[C@@H]21 4104724 WGGGLYPWFRDVEK-ORMWDYAWSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CN(C)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4372516 WHXFRZFXDOAEFB-GYSYKLTISA-N 239.359 2.306 0 40 BEAB CCn1c(S[C@@H](C)C(N)=O)nc2ccccc21 4484507 YQOXMPCQHKNUOR-QMMMGPOBSA-N 249.339 2.022 0 40 BEAB C[C@@H](O)[C@H](O)c1cccc(C(F)(F)F)c1 5751633 ISBSOFZWSJBJSW-MUWHJKNJSA-N 220.190 2.120 0 40 BEAB Oc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 5997167 NQHSTOVKOJAGDM-UHFFFAOYSA-N 238.250 2.239 0 40 BEAB CC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 6653508 XYJYRBGLLJAXNU-UHFFFAOYSA-N 244.298 2.053 0 40 BEAB Cn1ccnc1SC(=O)c1ccccc1 6694482 NLQBTXSRECFOKJ-UHFFFAOYSA-N 218.281 2.353 0 40 BEAB CC(C)NC(=S)Nc1ccc(O)cc1 7526185 NVOQRVCTRUKWNH-UHFFFAOYSA-N 210.302 2.087 0 40 BEAB CCNC(=O)c1oc2ccc(OC)cc2c1C 9219242 MILVTYIBCYYBIC-UHFFFAOYSA-N 233.267 2.500 0 40 BEAB O=C(O)COCC12CC3CC(CC(C3)C1)C2 12362958 UOEJXPRIUIDKDP-UHFFFAOYSA-N 224.300 2.304 0 40 BEAB O=C(c1cc(Cl)ccc1O)N1CCCC1 12978751 ADAUJIDSUOTARD-UHFFFAOYSA-N 225.675 2.282 0 40 BEAB O=C(O)[C@@H]1CCN1[C@H](c1ccccc1)C1CC1 16124836 IGZBEONIJJAHDG-QWHCGFSZSA-N 231.295 2.297 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 16291989 INBNTZUEACCAHO-CHWSQXEVSA-N 233.311 2.028 0 40 BEAB Cc1cccc(C(=O)NCCN2CCCCC2)c1 16349098 RNWLSUAMZXXLNI-UHFFFAOYSA-N 246.354 2.211 0 40 BEAB O=C(O)Cc1cc(-c2cccs2)on1 17170180 GBOPIYIPZNBBSQ-UHFFFAOYSA-N 209.226 2.030 0 40 BEAB c1ccc2c(c1)CCN(C[C@@H]1CCCCN1)C2 19432374 OEDNKJKYNYWJBW-HNNXBMFYSA-N 230.355 2.187 0 40 BEAB C[C@H](c1ccccc1Cl)N1CCNCC1 20281670 JGFYDJGEOKSTPX-SNVBAGLBSA-N 224.735 2.306 0 40 BEAB in-vitro O=C(CCc1ccco1)Nc1ccccn1 23010745 LNUPFAIWMHJAJS-UHFFFAOYSA-N 216.240 2.246 0 40 BEAB COc1ccc(C(=O)O)cc1-c1ccccn1 31997375 FWJIAMUVXKCWND-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB in-vitro CSCC(=O)N(C)[C@H]1CCc2ccccc21 32905645 MOILPBVCKQCDKU-LBPRGKRZSA-N 235.352 2.495 0 40 BEAB O=Cc1cnc2c(-c3cccs3)cnn2c1 34781575 ZQOQBORMNXVTCA-UHFFFAOYSA-N 229.264 2.270 0 40 BEAB [O-][n+]1ccccc1Oc1cnc2ccccc2n1 41872680 AIVYZMVFNAEYHR-UHFFFAOYSA-N 239.234 2.056 0 40 BEAB CN(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 44976613 MVRNCZJEDAJLJR-JGVFFNPUSA-N 223.238 2.443 0 40 BEAB Nc1cc(N2CCCCC2)c(N)cc1Cl 45891217 NMFPFOIPHOQDOV-UHFFFAOYSA-N 225.723 2.495 0 40 BEAB CN(CCN)Cc1cccc(Cl)c1Cl 54416851 IJVWTVOYXYJTNJ-UHFFFAOYSA-N 233.142 2.384 0 40 BEAB CNC(=O)CS[C@H](C)c1ccccc1F 59831702 UMZMOJQNAKSEOX-MRVPVSSYSA-N 227.304 2.366 0 40 BEAB CC(C)Cc1ccc(C2=NO[C@H](C(=O)O)C2)cc1 71980968 CYHCRKFRXAEUFP-ZDUSSCGKSA-N 247.294 2.463 0 40 BEAB CCSc1ccc([C@@H]2CCCN2C=O)cn1 72217108 WCFQLZMRHOTXCL-NSHDSACASA-N 236.340 2.487 0 40 BEAB Cc1nc(Br)ccc1[C@H](C)O 72223997 YSOMOKLXQXVZLD-LURJTMIESA-N 216.078 2.206 0 40 BEAB Cc1cccc(CN2CCC[C@@H]2c2cc[nH]n2)n1 72361413 DXMNEXOODAGMCO-CQSZACIVSA-N 242.326 2.450 0 40 BEAB COC(=O)CC(=O)c1c[nH]c2ccc(C)cc12 75090868 NQKZRZNETRLEQP-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB CCOc1ccc2nc(C(=O)O)sc2c1 75397963 RVVPHWORZKOUDL-UHFFFAOYSA-N 223.253 2.393 0 40 BEAB Cc1nc2c(CCC(=O)O)cccc2o1 82929246 PRSXCRKMKLQRGQ-UHFFFAOYSA-N 205.213 2.153 0 40 BEAB COC(=O)[C@@H]1O[C@@]12C[C@H](C)CC(C)(C)C2 84324278 XTLCHVQRGWXTST-VDDIYKPWSA-N 212.289 2.143 0 40 BEAB CCOc1ccc(C(=O)CC2OCCO2)cc1 85652214 RGJCAJVIOMJLNQ-UHFFFAOYSA-N 236.267 2.031 0 40 BEAB O=C([C@@H]1CCCO1)N1CCC2(CCCCC2)C1 89818542 MHCNNHLDGSOLIS-LBPRGKRZSA-N 237.343 2.348 0 40 BEAB CCO[C@@H]1C[C@H](NC(=O)C2CC2)C12CCCC2 89986040 CNPBHIFLTQFHAA-NWDGAFQWSA-N 237.343 2.250 0 40 BEAB OC[C@H]1OCc2cc(Br)ccc21 90729098 GRPIPSMLEKMLJQ-SECBINFHSA-N 229.073 2.013 0 40 BEAB CCOc1c(Cl)ccc(CN)c1F 91252316 TXBJLDHMQYPALV-UHFFFAOYSA-N 203.644 2.337 0 40 BEAB OC[C@H](NC[C@H]1CC=CCC1)c1ccco1 95434063 WLAFVRDODRRNAI-RYUDHWBXSA-N 221.300 2.259 0 40 BEAB O[C@@H](CCC1OCCCO1)c1cccc(F)c1 95728919 BRRYIYPNYFDTCF-LBPRGKRZSA-N 240.274 2.402 0 40 BEAB C[C@@]1(NC(=O)OCc2ccccc2)CCCNC1 95831043 ZPCVHIWLFMTOSY-CQSZACIVSA-N 248.326 2.055 0 40 BEAB c1ccc2c(c1)CN(CCN1CCCC1)C2 96411737 YUAXPMFNRZPBNI-UHFFFAOYSA-N 216.328 2.098 0 40 BEAB COCCCCC(=O)Nc1ccc(O)cc1C 96437115 PTGPHDXPSVMTCH-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB CCCCOCC(=O)Nc1cc(F)ccc1O 96452118 KOTJOGQADPNDFI-UHFFFAOYSA-N 241.262 2.287 0 40 BEAB COCCCn1ccc(NCc2ccc(C)o2)n1 96473171 AXGMAGPHYYDCBB-UHFFFAOYSA-N 249.314 2.433 0 40 BEAB CC(C)Cn1c2c(ccc1=O)[C@@H](N)CC(C)(C)C2 96510622 PHCBOESJPASADC-LBPRGKRZSA-N 248.370 2.477 0 40 BEAB COc1ccc([C@@H](CN)N2CCC[C@H](C)C2)cc1 108349911 JQNIKZXOVAYJTM-SWLSCSKDSA-N 248.370 2.427 0 40 BEAB COC(=O)CCCCCOc1ccc(N)cc1 114671605 XDJLGMFYGWUTAI-UHFFFAOYSA-N 237.299 2.381 0 40 BEAB O=C1O[C@@H](c2cccnc2)Nc2ccccc21 223811971 JWNJVBPDXWUTSZ-LBPRGKRZSA-N 226.235 2.363 0 40 BEAB Cc1ccc(OC[C@H]2CCCOC2)nc1 334914018 ABYSQUBYNSSYGV-NSHDSACASA-N 207.273 2.195 0 40 BEAB Cc1csc(CNC(C)(C)C[C@H](C)CO)n1 521396551 ZVBPCKZULFXWEV-VIFPVBQESA-N 242.388 2.338 0 40 BEAB CCOC(=O)c1sc2c(c1N)CCCC2 226774 LHYNHUFLJHBTSU-UHFFFAOYSA-N 225.313 2.386 0 40 BEAB O=C(O)C1(O)CCC(c2ccccc2)CC1 332046 ACEIAAYLUZQYER-UHFFFAOYSA-N 220.268 2.160 0 40 BEAB CCC[C@H](O)[C@](C)(C(=O)O)c1ccccc1 1577595 XRHHBKJQHNRZHN-WCQYABFASA-N 222.284 2.190 0 40 BEAB COCC[C@@H]1OC[C@@H](c2ccccc2)O1 1689182 MJEPAQAXQVRGOY-NWDGAFQWSA-N 208.257 2.137 0 40 BEAB CNC(=S)N[C@H](C)CCc1ccccc1 6332536 SXCBXLSRDQKQFW-SNVBAGLBSA-N 222.357 2.102 0 40 BEAB CC(C)C(=O)c1c(O)c2ccccc2oc1=O 6357791 CIIHMDBAZFNOFU-UHFFFAOYSA-N 232.235 2.337 0 40 BEAB biogenic COc1cc([C@H](C)SCC(=O)O)ccc1O 6437364 VYUXYRNDAZKAPL-ZETCQYMHSA-N 242.296 2.280 0 40 BEAB Nc1cc(N)cc(-c2nc3ncccc3o2)c1 8703369 BZDJJMIQRNMUAO-UHFFFAOYSA-N 226.239 2.054 0 40 BEAB Cc1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1 8924639 VRSLDNXOIZTMPI-GFCCVEGCSA-N 248.326 2.231 0 40 BEAB Brc1cccc(O[C@H]2CCNC2)c1 14632162 QLTUVIZNLSOEKT-JTQLQIEISA-N 242.116 2.190 0 40 BEAB in-vitro Fc1ccc(CN[C@@H]2CN3CCC2CC3)cc1 19334688 ODXHPSVOSUKGKP-CQSZACIVSA-N 234.318 2.010 0 40 BEAB Cc1cc(N)c(NC(=O)[C@H]2CCCO2)cc1C 20157610 MKLUGXYMYMYNDU-GFCCVEGCSA-N 234.299 2.003 0 40 BEAB O=C(O)Cc1nnc(-c2cccc(Cl)c2)o1 20222900 PSENGFPENKIPMI-UHFFFAOYSA-N 238.630 2.017 0 40 BEAB NCCc1cc2cc(Br)ccc2[nH]1 20269469 WWFGCNLOBVZAKW-UHFFFAOYSA-N 239.116 2.432 0 40 BEAB CCOC(=O)c1c(C)[nH]c2c1C(=O)C[C@@H](C)C2 22126444 GVIZVTJPWWMNGA-ZETCQYMHSA-N 235.283 2.265 0 40 BEAB CCn1nc(C)c(C(=O)NCc2ccco2)c1C 27982889 OWKPLUORGSNQKW-UHFFFAOYSA-N 247.298 2.043 0 40 BEAB CCN(C(=O)c1cnn(C)c1)C1CCCCC1 32902891 CUOMADYXUDEINO-UHFFFAOYSA-N 235.331 2.215 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(N)cc2C1 33358872 FIZZCNCGJUVFEU-GFCCVEGCSA-N 248.326 2.261 0 40 BEAB C=CC(=O)NCCCN(CC)c1ccccc1 36334761 XNVSLISAGDYXPH-UHFFFAOYSA-N 232.327 2.205 0 40 BEAB COc1ccc(CNCC(F)(F)F)cc1F 36923758 KDJIKCXTIBYROE-UHFFFAOYSA-N 237.196 2.486 0 40 BEAB CCCOc1cn(-c2ccccc2)nc1C(=O)O 37010727 LCECDDBNGUKNLV-UHFFFAOYSA-N 246.266 2.359 0 40 BEAB in-vitro NC[C@@H](c1ccc2c(c1)CCO2)N1CCCCC1 37363693 LFXDJTRBOMYOPT-AWEZNQCLSA-N 246.354 2.107 0 40 BEAB N[C@H](c1ccc(Cl)cc1)c1ncccn1 37658148 IPQYIDQHEKVEDR-SNVBAGLBSA-N 219.675 2.178 0 40 BEAB COC(=N)c1cccc(Br)c1 37927979 LRFHACQUFBUNBT-UHFFFAOYSA-N 214.062 2.421 0 40 BEAB CO[C@H](CNC(=O)C=C(C)C)c1ccccc1 42750862 AAAAVBYIMNPDDT-CYBMUJFWSA-N 233.311 2.457 0 40 BEAB CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccn1 47576748 VNVNGBCISLEPMA-ZJUUUORDSA-N 221.304 2.240 0 40 BEAB CCN(Cc1nc(C)no1)C1CCCC1 47967379 NQHDSLAVEUJFJH-UHFFFAOYSA-N 209.293 2.143 0 40 BEAB CCONC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 48324726 PLDKEUMNXBDNMY-ZJUUUORDSA-N 211.305 2.293 0 40 BEAB Cc1nc(N)cc(Nc2ccccc2F)n1 49467261 FSYNHLQSOWMFFR-UHFFFAOYSA-N 218.235 2.250 0 40 BEAB CCc1ccc(-n2cccc(C(=O)O)c2=O)cc1 49831282 BQJNFOLSYCTZPO-UHFFFAOYSA-N 243.262 2.098 0 40 BEAB COC1CCN(Cc2nc3ccccc3o2)CC1 53897689 LSIOYOTWRGPEKT-UHFFFAOYSA-N 246.310 2.439 0 40 BEAB Cn1cccc1C(=O)N1CCc2sccc2C1 58552154 YLSIQFCTTQVKIG-UHFFFAOYSA-N 246.335 2.285 0 40 BEAB O=C(O)c1c2c(nc3onc(C4CC4)c13)CCC2 62710594 ANTBMXYOSVGUBA-UHFFFAOYSA-N 244.250 2.287 0 40 BEAB OC[C@H](c1ccc(F)cc1F)N1CCCC1 70452786 WVMNFPHWMOQFTK-GFCCVEGCSA-N 227.254 2.094 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CNCC[C@H]2C)c(C)c1 71412551 WNJIJOSNQSMENH-BXUZGUMPSA-N 246.354 2.031 0 40 BEAB CCOC(=O)/C=C\c1ccnc(Cl)c1 71618428 CVPOUFVXENKYKW-ARJAWSKDSA-N 211.648 2.311 0 40 BEAB CCN(CC)c1ccc(C(=O)N[C@@H]2C[C@@H]2C)cn1 72094590 WBZZJFMIJREPNF-CMPLNLGQSA-N 247.342 2.066 0 40 BEAB O=C(CC[C@@H]1CCCN1)Nc1ccccc1 72208140 ZFRPSSIORAVKLI-NSHDSACASA-N 218.300 2.157 0 40 BEAB Nc1cccc(-c2cnc3n2CCCC3)c1 72220361 RWLMTZVZIRJIJQ-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB CNCc1cnc(N2CCCCCC2)cc1C 72223537 LXWFEDKFTSKBPK-UHFFFAOYSA-N 233.359 2.490 0 40 BEAB CS(=O)(=O)c1ccccc1N1CCCCC1 72990529 GXCWTTDNKQFDRO-UHFFFAOYSA-N 239.340 2.080 0 40 BEAB COc1ccc2ncn(CN3CCCCC3)c2c1 73634250 HAOXHTRFXCNUGG-UHFFFAOYSA-N 245.326 2.488 0 40 BEAB O=C(O)Cn1c(C2CC2)nc2cc(F)ccc21 75974412 SKYWBKJBGBMBSP-UHFFFAOYSA-N 234.230 2.137 0 40 BEAB CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)NC1 82299881 VRIDQIGLSYHFCH-OLZOCXBDSA-N 233.311 2.290 0 40 BEAB COc1ccc(-c2cc[nH]c2C(=O)O)cc1 82369358 ADWQYNDDKQNKFQ-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB NC[C@H](Cc1ccccc1)C(F)(F)F 82719157 DUZYSCNQKRWUPA-VIFPVBQESA-N 203.207 2.366 0 40 BEAB in-vitro O=Cc1nc2c(Br)cccc2[nH]1 85399029 XNTKPIUMPDYNNP-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Cc1cnc(N2CCC[C@@H](C)C2)c(N)c1 85425107 NCUHGQFGMRDZQU-SECBINFHSA-N 205.305 2.209 0 40 BEAB CCOC(=O)CCc1c(F)cccc1F 88046519 WYGQZTFEIRNMTO-UHFFFAOYSA-N 214.211 2.461 0 40 BEAB Cc1cccc([C@@H](C)N2CC[C@H](CO)C2)c1 89669122 ASVQWMPHZDILRV-OLZOCXBDSA-N 219.328 2.370 0 40 BEAB CC(C)(C)c1cc2ncnc(Cl)n2n1 91690853 HTCTWYWOBUVGME-UHFFFAOYSA-N 210.668 2.075 0 40 BEAB Cc1cccc(C(=O)NC2(C(=O)O)CCC2)c1C 95967060 QARIPQNFGYEMHB-UHFFFAOYSA-N 247.294 2.041 0 40 BEAB Cc1ccc(Cc2nnc(S)[nH]2)c(C)c1 96295204 KOWNPHYQRKIOJD-UHFFFAOYSA-N 219.313 2.301 0 40 BEAB CCSCc1cccc(NC(N)=O)c1 96435250 BGBFTQLMFBDWKJ-UHFFFAOYSA-N 210.302 2.430 0 40 BEAB CS(=O)(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96510122 IRZSJLFMXFSOGV-NXEZZACHSA-N 230.716 2.241 0 40 BEAB CC[C@H](COC)Nc1ccc([S@](C)=O)cc1 97101626 CVHCIELERLTZPJ-QLJPJBMISA-N 241.356 2.261 0 40 BEAB CCOc1ccccc1N(C)Cc1cc[nH]n1 97103993 NFDXWLPVPLCDEA-UHFFFAOYSA-N 231.299 2.445 0 40 BEAB CC(C)CS[C@H](C)C(=O)NCC(F)(F)F 97173520 LBIMXZRYKVPQDE-SSDOTTSWSA-N 243.294 2.443 0 40 BEAB Cc1cccc(-c2noc(-c3nc(C)no3)n2)c1 98212319 JWPSLJPAXMMOBS-UHFFFAOYSA-N 242.238 2.403 0 40 BEAB CCC(=O)c1c(NC(C)C)cc(C)oc1=O 100182456 YZTGKUZSXZUKQP-UHFFFAOYSA-N 223.272 2.361 0 40 BEAB CC(C)=CC/C=C1/CC[C@H]2C(=O)NC(=O)[C@H]2C1 100742305 XPGHNXMVHVOVHW-XAPDAFRNSA-N 233.311 2.342 0 40 BEAB biogenic CON(C)C(=O)Cc1ccccc1C(F)(F)F 104229211 QDHKUVPUGYTGCU-UHFFFAOYSA-N 247.216 2.268 0 40 BEAB COC(=O)CCc1c[nH]c2ccc(F)cc12 113640473 FEESKGKMZVPTOX-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB O=C(O)c1cc2cc([N+](=O)[O-])cc(Cl)c2[nH]1 203931203 BGQDRFSXWVRYFA-UHFFFAOYSA-N 240.602 2.428 0 40 BEAB C[C@]1(CCC(=O)O)[C@@H]2CC[C@@]1(C)[C@@H](N)C2 216342340 UFZBZBFBJHZVMJ-QCZKYFFMSA-N 211.305 2.005 0 40 BEAB Cc1coc2c1[C@H](O)C[C@@H](C(F)F)C2 217646372 VUCZSEHWJVOHSS-RNFRBKRXSA-N 202.200 2.449 0 40 BEAB OCc1ccn(Cc2ccc(Cl)cc2)n1 217688274 HIEHFNKVJWQWSS-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@@H](N)CC2 306759547 PKSZGPBBVMWUDH-DCAQKATOSA-N 240.347 2.266 0 40 BEAB CCCN1C(=O)N/C(=C/c2ccccc2C)C1=O 409240980 MOSKAOVQQHKEHR-FMIVXFBMSA-N 244.294 2.298 0 40 BEAB CN(C)[C@@H]1CCC[C@H]1Oc1ccc(F)cn1 585653502 HGPBLCRABDHTFZ-GHMZBOCLSA-N 224.279 2.082 0 40 BEAB COc1cc(NC(=O)CCN)cc2ccccc12 57200 NUOJRXOHKAOEDJ-UHFFFAOYSA-N 244.294 2.136 0 40 BEAB c1cc(-c2nc3n(n2)CCCCC3)ccn1 392170 CWRRIFDNKCWPQZ-UHFFFAOYSA-N 214.272 2.067 0 40 BEAB CNc1nnc(-c2ccccc2OC)s1 1238277 OXOHGDVHULHVNE-UHFFFAOYSA-N 221.285 2.255 0 40 BEAB CCOC(=O)[C@H](C)N1CCCCCCC1 1593278 SONFEJOFNQXGFB-NSHDSACASA-N 213.321 2.204 0 40 BEAB Cc1c(C=O)nc2ccccc2c1C(=O)O 1601860 QHUFJZQMUODQEP-UHFFFAOYSA-N 215.208 2.054 0 40 BEAB COc1cc(C)c2c(c1OC)C(=O)CC2 1701369 ATLRPLCSXJDYBA-UHFFFAOYSA-N 206.241 2.141 0 40 BEAB COc1ccc(-c2cn3ncsc3n2)cc1 4945622 BRSDQKHFAFJVBW-UHFFFAOYSA-N 231.280 2.466 0 40 BEAB CSc1nc(NN)cc(-c2ccccc2)n1 5641052 SRWLBJCEMIYBSR-UHFFFAOYSA-N 232.312 2.151 0 40 BEAB COc1cccc(C2=N[C@H](C(C)C)CO2)c1 5733232 SHTHIWBKEFNLPE-LBPRGKRZSA-N 219.284 2.497 0 40 BEAB CCOc1ccc(Cl)cc1CNC[C@@H](C)O 8324561 CHRDHUMPJYGCJI-SECBINFHSA-N 243.734 2.209 0 40 BEAB O=C(O)CC[C@@H](O)c1ccc2c(c1)CCCC2 9280476 BYQPFMCNFLPFLS-CYBMUJFWSA-N 234.295 2.464 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 14788446 OEEZXWYOYOXHMF-GZMMTYOYSA-N 233.267 2.068 0 40 BEAB COc1cc(C)c(/C=C\C(=O)O)cc1OC 17423377 CFNVAYXXQASCPQ-PLNGDYQASA-N 222.240 2.110 0 40 BEAB COCCCN[C@@H](C)c1ccccc1OC 20142319 TYXNTIBEQVZQTK-NSHDSACASA-N 223.316 2.382 0 40 BEAB NCc1nc(-c2ccccc2)n2ccccc12 20222754 ZMIUZUQCZMISGD-UHFFFAOYSA-N 223.279 2.460 0 40 BEAB O=C(O)c1nn(-c2ccccc2F)c2c1CCC2 20283812 FJPKVQQEPGUFCG-UHFFFAOYSA-N 246.241 2.198 0 40 BEAB CCCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1 21301003 ZNICOTLOPCODTO-NSHDSACASA-N 242.363 2.386 0 40 BEAB COc1ccccc1C1(C(=O)NC(C)C)CC1 23239322 DYSOLFXIBHZTEE-UHFFFAOYSA-N 233.311 2.251 0 40 BEAB Cc1ncc(CNC(=O)CC(C)C)s1 32648412 YJFXVUPHFSJLPX-UHFFFAOYSA-N 212.318 2.114 0 40 BEAB O=C(CCCCCO)OCc1ccccc1 34499510 OODHJPDDRCGXMP-UHFFFAOYSA-N 222.284 2.283 0 40 BEAB Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 44892094 AIRCAPHTYZGUQM-UHFFFAOYSA-N 247.342 2.436 0 40 BEAB FC(F)(F)COc1cc(Cl)ncn1 48630950 CJTDPEZNGURNJL-UHFFFAOYSA-N 212.558 2.071 0 40 BEAB NCc1nccn1Cc1cccc(Cl)c1 51004197 DOGVTYXONMFPLP-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB CC(=O)c1cc(C(=O)N2CCC(C)CC2)n(C)c1 53574171 URODTNRXFQOXQS-UHFFFAOYSA-N 248.326 2.100 0 40 BEAB Cc1cccc(C(=O)NO[C@H]2CCCCO2)c1C 58330422 QUXOXYVOHYRZLD-ZDUSSCGKSA-N 249.310 2.491 0 40 BEAB CCNC(=O)CCCOc1cccc(C(C)=O)c1 58344107 WUBHAAOTNPDCMP-UHFFFAOYSA-N 249.310 2.184 0 40 BEAB CCOC(=O)c1cc(Cl)cc(N)c1F 62350290 GYHYGJQLCVVBSE-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB C[C@H](c1ccccc1)N(C)C(=O)c1cnn(C)c1 68527729 BJPCGUVPEWVHNS-LLVKDONJSA-N 243.310 2.253 0 40 BEAB CN1CCC[C@H]1c1nccnc1-c1cccnc1 72386811 GDRXEGFFTQQORY-LBPRGKRZSA-N 240.310 2.305 0 40 BEAB COCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1C 77559655 HTFGYHDJXIFHMC-SDDRHHMPSA-N 242.363 2.241 0 40 BEAB Cc1cnn2c(Cl)cc(Cl)nc12 79030591 SHZDPXWKNQJIMX-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB O=C(O)C1CCN(c2ccc(F)c(F)c2)CC1 82549944 BFKHEURNHFLLRN-UHFFFAOYSA-N 241.237 2.266 0 40 BEAB COc1c(F)cccc1C[C@H]1CCCN1 82949189 BBKSKPKJGYHGBQ-SNVBAGLBSA-N 209.264 2.129 0 40 BEAB Cn1nc(C2CCC2)cc1NC(=O)C1CC1 89741064 JEXGDDWSRVCLST-UHFFFAOYSA-N 219.288 2.036 0 40 BEAB CC(C)Cn1cc(NCc2ccc(CO)o2)cn1 90200096 UKFQBVMODYUPFQ-UHFFFAOYSA-N 249.314 2.237 0 40 BEAB COC(=O)CCCn1nc2cc(C)c(C)cc2n1 94992573 YTNWVDRVEGCMRV-UHFFFAOYSA-N 247.298 2.001 0 40 BEAB Cc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1 95534161 NVGQFMUAZVVRDI-LLVKDONJSA-N 244.342 2.459 0 40 BEAB Cc1cc(F)ccc1C(=O)CSCC(=O)O 95634359 APTQNCUPQBOZMA-UHFFFAOYSA-N 242.271 2.135 0 40 BEAB COC(=O)CNC1(c2ccc(Cl)cc2)CC1 96491744 WJPMRWREIRXUKC-UHFFFAOYSA-N 239.702 2.092 0 40 BEAB Cc1ccnc(NC(=O)NCC(C)C)c1 96502456 PKDZEPOMYSUEMA-UHFFFAOYSA-N 207.277 2.168 0 40 BEAB CN[C@H]1CCN(C)Cc2ccc(Cl)cc21 96509729 QXNZHHHTZVDUPM-LBPRGKRZSA-N 224.735 2.436 0 40 BEAB CC(C)CC1(C(=O)N[C@@H](C)CC(=O)O)CCC1 97019322 OQOJRNBIYFIJCA-JTQLQIEISA-N 241.331 2.182 0 40 BEAB O=C(c1coc(-c2ccccc2)n1)N1CCCO1 97163155 FZMZPLSPKMYRDQ-UHFFFAOYSA-N 244.250 2.119 0 40 BEAB Cc1cc(CN2C[C@H]3CCC[C@H]3C2)no1 152644675 YWSULRURAAIEMN-PHIMTYICSA-N 206.289 2.215 0 40 BEAB Cc1cc(CSC[C@@H](O)C(F)(F)F)no1 191098760 HPSFBAFTSRZPMD-SSDOTTSWSA-N 241.234 2.139 0 40 BEAB O[C@@H]1CCC[C@H]1N1CCCc2ccccc21 217798150 QUKWNFUUTBVFCD-ZIAGYGMSSA-N 217.312 2.353 0 40 BEAB CCOc1ccc([Si](C)(C)C)c(F)n1 219795825 AGRUICCIVTYBBP-UHFFFAOYSA-N 213.328 2.165 0 40 BEAB Cc1ccc(C)c([C@H]2CN[C@@H](C)CO2)c1 36986461 UPQRMTDTWIYURA-WCQYABFASA-N 205.301 2.353 0 40 BEAB in-vitro Nc1scc[n+]1Cc1ccccc1Cl 389199 PDOXICPXNCFOEM-UHFFFAOYSA-O 225.724 2.320 0 40 BEAB Cc1cc(C)nc(NC(=O)c2ccccc2)n1 580401 LAUIJKHQFINMSM-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Cc1cc(C(=O)O)nn1-c1ccccc1F 41233707 MSMVOVXQAXRBRP-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB in-vitro O=C1c2ccccc2C[C@H]1C(=O)C(F)(F)F 100085620 PNRJZXFAWRYLHE-MRVPVSSYSA-N 228.169 2.173 0 40 BEAB Nc1cc(O)c(Cl)cc1C(=O)C(F)(F)F 103598829 QUSZSWIUKFDUKD-UHFFFAOYSA-N 239.580 2.373 0 40 BEAB in-vitro Cc1ccc(NC(=O)c2ccc(C)nc2)nc1 12545796 CFQCJSSHVQQMPN-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Cc1c(NCc2ccc(F)cc2)cnn1C 20350384 YRYJRWBTKKJBGF-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1cc(Br)cn2c(C=O)cnc12 36291663 CBXMTMFQOVHGHD-UHFFFAOYSA-N 239.072 2.218 0 40 BEAB in-vitro Cc1ccc(C(=O)O)c(N)c1Br 45328547 FRMCBXHLZRNCKS-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB C[C@H]1CCC[C@@H](C)N1C(=S)SCC(=O)O 3440522 NCIPUDYBLPRKCW-OCAPTIKFSA-N 247.385 2.352 0 40 BEAB O=C(O)c1cccc(OCCCN2CCCC2)c1 8731483 HIEZNOHXHOPBOF-UHFFFAOYSA-N 249.310 2.250 0 40 BEAB CCONC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 49346461 RZWARJJZDJLAAD-QWHCGFSZSA-N 249.310 2.222 0 40 BEAB O=C(c1ccncc1)N1CCCc2ncccc21 65609889 NGCPKOKZQSMGKT-UHFFFAOYSA-N 239.278 2.070 0 40 BEAB CCNc1ncc(CNCc2ccccc2)cn1 62717511 QHPCWRNOQMVNJW-UHFFFAOYSA-N 242.326 2.198 0 40 BEAB Cc1noc(C)c1CS[C@H](C)C(=O)N(C)C 96946814 DUHDWARLFZRUAD-SECBINFHSA-N 242.344 2.001 0 40 BEAB COc1cc(F)cc(C(=O)C(F)F)c1 307112015 LUSKKAHUOYCPMI-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB CC(C)c1nnc(NCc2ccn(C)c2)o1 95992306 IWTXPUOMJJKPGL-UHFFFAOYSA-N 220.276 2.144 0 40 BEAB Cc1nc(O)ccc1[C@H](N)c1ccccc1 72224809 HWEYITIXZKVIAN-CYBMUJFWSA-N 214.268 2.144 0 40 BEAB CNc1cc(C)c([C@H]2CCCCN2)cn1 72219053 KBAIRPYVRKRJSD-LLVKDONJSA-N 205.305 2.246 0 40 BEAB O=C(c1ccccc1)c1cnc2n1CCC2 27526844 FWAIAYNTQGOEFE-UHFFFAOYSA-N 212.252 2.060 0 40 BEAB Nc1scc2c1c(=O)oc1cc(O)ccc12 72220104 RUGIOZJOTDFQGJ-UHFFFAOYSA-N 233.248 2.296 0 40 BEAB CCOC(=O)CCc1cc(OC)cc(OC)c1 77011496 NKOHJJUVRVNYPI-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB CN1CCC(O)(c2cc(F)cc(Cl)c2)CC1 79030382 JYBLKPSLBQWBGR-UHFFFAOYSA-N 243.709 2.392 0 40 BEAB CCOC(=O)C(=O)c1ccc(Cl)cc1OC 43504299 OIYXZAYCOXLLMD-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB Cc1cccc(-c2nsc(C(=O)O)n2)c1 74076113 PPULVBLIUBKGOC-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB CN1CCC(c2ccnc(-n3ccnc3)c2)CC1 72386556 ADFAFTUKFKYXKA-UHFFFAOYSA-N 242.326 2.077 0 40 BEAB CCOC(=O)[C@@H](C)C(=O)c1ccc(OC)cc1 85396779 YAOWFMRQMSBZCW-VIFPVBQESA-N 236.267 2.077 0 40 BEAB Cc1ncc(Br)c(C2CC2)n1 82326432 AOYJYXDHLYWUTG-UHFFFAOYSA-N 213.078 2.425 0 40 BEAB in-vitro Cc1csc(=O)n1Cc1nc2ccccc2o1 95965164 QAOXFDBJCMCJBD-UHFFFAOYSA-N 246.291 2.408 0 40 BEAB CN1CC[C@]2(CCN(Cc3cccs3)C2)C1 96268652 FXAUFSFRSZAMEP-ZDUSSCGKSA-N 236.384 2.276 0 40 BEAB CN(C)c1cc(OCC2CC2)ccc1O 95711775 CUNYRQDPWAKEHI-UHFFFAOYSA-N 207.273 2.247 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCCCNC1=O 248734512 BKHRNHPVSLCPIK-WOPDTQHZSA-N 238.375 2.069 0 40 BEAB C[C@@H]1NC[C@H]2C[C@H]1CN(Cc1ccccc1)C2 242543293 JVNQIVFIOMMCFT-CFVMTHIKSA-N 230.355 2.116 0 40 BEAB COCCN(C)Cc1ccccc1Cl 53403395 SSWFJFFIWKCOCR-UHFFFAOYSA-N 213.708 2.418 0 40 BEAB Cc1cc(CNc2ncccc2F)on1 54700876 UFFSOLVELHKIKL-UHFFFAOYSA-N 207.208 2.129 0 40 BEAB C1CCC(OCCCN[C@@H]2CCCOC2)CC1 70463907 PTXCHVACWRBWMI-CYBMUJFWSA-N 241.375 2.494 0 40 BEAB Cc1ncsc1C(=O)N1CCC[C@@H](CF)C1 881592005 BODJNAOAIJRXBM-VIFPVBQESA-N 242.319 2.273 0 40 BEAB CCOC(=O)c1cc(C=O)cc2[nH]ccc12 309426173 IPMGENCRNSRTKQ-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB O=C(O)c1cnn(-c2cccc(Cl)c2)c1 19519585 YCSXAOLUTJUXFI-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro Cc1cccnc1NC(=O)c1ccccn1 32721860 HIWFGDWJYYPYRJ-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB C[C@H]1N(C[C@@H](O)c2ccccc2)CCOC1(C)C 390833705 LSRAPHGEJHPBGW-TZMCWYRMSA-N 249.354 2.219 0 40 BEAB Cc1ccc([C@H]2CCS(=O)(=O)C2)cc1C 5363772 AJFKZKGVRXXQSO-LBPRGKRZSA-N 224.325 2.206 0 40 BEAB C[C@@H]1CC[C@H](Nc2cccc(C(N)=O)c2)C1 70642837 ILTUXUDMLIPUIS-SKDRFNHKSA-N 218.300 2.386 0 40 BEAB Nc1ccc(NC(=O)C(F)(F)F)c(Cl)c1 20344908 ZXCOYCIWERPDIF-UHFFFAOYSA-N 238.596 2.423 0 40 BEAB O=C(c1ccccc1)[C@@H]1CN2CCC1CC2 51654 XZQHUOUQAUYEOU-CYBMUJFWSA-N 215.296 2.211 0 40 BEAB C[C@@H](NCC1CCOCC1)c1cccnc1 52172086 KEMVYXUYOIIOCA-LLVKDONJSA-N 220.316 2.159 0 40 BEAB Cc1cc(C)c2c(c1)NC(=O)C2=C(C#N)C#N 1320705 JPMOAOXQBYVYLI-UHFFFAOYSA-N 223.235 2.056 0 40 BEAB CC(=O)O[C@H](C[n+]1ccccc1)c1ccccc1 1663942 DCSROCDDJGNFSC-OAHLLOKOSA-N 242.298 2.279 0 40 BEAB Cc1ccccc1CN1CCOC[C@H]1C 46774429 GSPLNZGYCVYVPD-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB CCSc1nnc(-c2ccncc2)o1 522350 PGYGBBSAPUEERV-UHFFFAOYSA-N 207.258 2.244 0 40 BEAB CC(C)[C@@H](O)[P@](=O)(O)CCc1ccccc1 550309 XMDMSDCYKWBMBH-LBPRGKRZSA-N 242.255 2.474 0 40 BEAB CCn1cc(NC(=O)CCC(C)C)ccc1=O 47182049 UEFKSMAPZLTJNS-UHFFFAOYSA-N 236.315 2.243 0 40 BEAB Cc1ccnc(N2CCC[C@H](N3CCCC3)C2)c1 91453493 XQZVPCHTUZXNPP-AWEZNQCLSA-N 245.370 2.455 0 40 BEAB O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCOC1 54634106 PRLQSBHXPDYLQU-GFCCVEGCSA-N 240.686 2.374 0 40 BEAB Cc1cc(C(=O)Nc2cnn(C)c2)c(C)s1 25306373 SHMAPUDVDPTTET-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB CC(=O)Nc1ccc(NC(=O)NCC2CC2)cc1 43654329 VIUVXJWKQBWMNU-UHFFFAOYSA-N 247.298 2.177 0 40 BEAB O=C(O)[C@@H]1CCCN[C@H]1C1CCCCC1 107470336 CBOZOKCIVVNMIY-MNOVXSKESA-N 211.305 2.020 0 40 BEAB O=C(O)c1cc(Cl)nc(-c2ccccc2)n1 58042693 OVZANHVNKPKFNF-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB CCCCNCc1cccc(OCC(=O)O)c1 62717053 OKCHJLNFCJFEPP-UHFFFAOYSA-N 237.299 2.040 0 40 BEAB N=C(N)NCC1(c2ccc(F)cc2)CCCC1 58304796 VNVWONXONFJLGQ-UHFFFAOYSA-N 235.306 2.121 0 40 BEAB CCN1C(=O)C[C@@H]2Sc3ccccc3N=C21 59682003 UJJLBGLTSFFWKR-JTQLQIEISA-N 232.308 2.443 0 40 BEAB COc1cc(C2=NCCC2)cc(OC)c1OC 22115615 VQDXQEIAFVSUHV-UHFFFAOYSA-N 235.283 2.295 0 40 BEAB Cc1cc(NC(=O)COc2ccccc2)on1 13596837 BFNVITUGQRFIBS-UHFFFAOYSA-N 232.239 2.001 0 40 BEAB Clc1ccc(NCc2ccccn2)nn1 8703382 XNRLHNFMMGHBAM-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB Clc1ccc(CNn2cnnc2)cc1Cl 7601175 QQEGYMWRXHKNNU-UHFFFAOYSA-N 243.097 2.329 0 40 BEAB COC(=O)c1cc(Br)c(C=O)s1 16698730 ICGKCURLFHIUDC-UHFFFAOYSA-N 249.085 2.110 0 40 BEAB COC[C@@H]1CN(Cc2ccc(C)c(C)c2)CCO1 93529131 OMFGVYILYPJMIZ-HNNXBMFYSA-N 249.354 2.151 0 40 BEAB Cc1nn(C)cc1C(=O)OCC1CCCC1 71904839 QVVIKFPNZQOCSY-UHFFFAOYSA-N 222.288 2.076 0 40 BEAB CC[C@@H](C)COC(=O)CN(C)[C@@H]1CCSC1 95452639 YFJHOBSOVNLHLM-GHMZBOCLSA-N 245.388 2.013 0 40 BEAB COc1ccc(COC(=O)c2ccc(C)o2)cn1 95962606 ALIQRBQROATJNZ-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB C1C[C@H](Nc2nc(C3CC3)no2)[C@H]2CCO[C@@H]2C1 89598047 XZBKCWOLPLCESY-OUAUKWLOSA-N 249.314 2.317 0 40 BEAB CO[C@H](CN)c1cccc2ccccc12 62711395 YWBSFIWNDVVIKR-CYBMUJFWSA-N 201.269 2.486 0 40 BEAB c1ccc(OCCCNCc2ccco2)nc1 35287233 PXVPNIQTUDAXQT-UHFFFAOYSA-N 232.283 2.233 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@H]2C(C)=O)c1 32013591 MOYSPIFFPCNUDW-WDEREUQCSA-N 220.268 2.396 0 40 BEAB CCn1cc(Br)cc1C=O 78582686 PIPGCBHHQCLGIP-UHFFFAOYSA-N 202.051 2.083 0 40 BEAB O[C@]1(c2ccc(C(F)(F)F)cc2)CCCNC1 71559606 RFPXZCXMMBGXTE-LLVKDONJSA-N 245.244 2.276 0 40 BEAB CCCN1CCC[C@@H]1c1cccnc1O 72212307 HJUXTPOYTZAHRF-LLVKDONJSA-N 206.289 2.334 0 40 BEAB CCOc1nn(C)c2ccc(NC(=O)CC)cc12 227164232 IRHROAWQUGCSGF-UHFFFAOYSA-N 247.298 2.321 0 40 BEAB C[Si](C)(C)c1cc(C(=O)O)nc(F)c1Cl 196297468 ACYLEFAYCYNSMW-UHFFFAOYSA-N 247.729 2.118 0 40 BEAB Cc1ccc([C@@H](C(=O)O)N2CCCC2)s1 41677055 CGJOFDWNSPHLRC-JTQLQIEISA-N 225.313 2.278 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1CC2=O 148204186 QPLFGDVZMUEZKT-OPRDCNLKSA-N 239.315 2.269 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1C[C@]12CCCOC2 98213869 QFLHGDYACTVNSW-SKDRFNHKSA-N 227.304 2.080 0 40 BEAB C[C@H](CO)S[C@H](C)c1nc(C2CC2)no1 96430373 ZWRLOUUJVWGEAB-RNFRBKRXSA-N 228.317 2.122 0 40 BEAB CCS(=O)(=O)/C=C/c1ccccc1C 96510047 FSIKVMRQRZQORH-CMDGGOBGSA-N 210.298 2.400 0 40 BEAB Cc1cccc(CCCOC(=O)C2=COCC2)n1 96441948 SXLBXRMMVYXYDX-UHFFFAOYSA-N 247.294 2.170 0 40 BEAB CC(C)N(C(=O)CC1CCNCC1)C(C)C 96510325 ZOZKJBRWNAGBQC-UHFFFAOYSA-N 226.364 2.022 0 40 BEAB O=CN1CCC2(CCc3ccc(F)cc32)CC1 96157396 VDKPTQLUKAFDFW-UHFFFAOYSA-N 233.286 2.262 0 40 BEAB Cc1c(Br)cc(O)cc1C(=O)O 575692050 CSTATHRNEBVCAS-UHFFFAOYSA-N 231.045 2.161 0 40 BEAB c1ccc2nc(NC[C@H]3CCCOC3)cnc2c1 48400225 IQCLPNYZNTUKBK-LLVKDONJSA-N 243.310 2.468 0 40 BEAB CC/C=C(\C)C(=O)NCc1cccnc1OC 96305656 JLBFSJDNSVZXAK-UXBLZVDNSA-N 234.299 2.063 0 40 BEAB O=c1ccc(F)cn1Cc1cccc(F)c1F 190745274 XKTBZLZJZBVMBH-UHFFFAOYSA-N 239.196 2.314 0 40 BEAB C[C@@H](N)c1nc(-c2ccncc2)cs1 41059173 NFSPCCHHEBOTGZ-SSDOTTSWSA-N 205.286 2.225 0 40 BEAB in-vitro CC(C)(C)OC(=O)NCc1c(N)cccc1F 1857794766 RSUXGIZIRFAKIG-UHFFFAOYSA-N 240.278 2.433 0 40 BEAB O=C(O)c1ccccc1NC(=O)C1CCC1 13095009 NTVQFEHLDRQCCQ-UHFFFAOYSA-N 219.240 2.123 0 40 BEAB N[C](Cc1cc(Cl)ccc1Cl)C(=O)O 1560408638 DYUHPXBBOBTKMB-UHFFFAOYSA-N 233.074 2.111 0 40 BEAB CC(C)NC(=O)Cc1ccc(Cl)cc1 5727246 UIAOZNLWRITTLP-UHFFFAOYSA-N 211.692 2.407 0 40 BEAB CCC(C)(C)NC(=O)[C@H]1Cc2ccccc2O1 12988472 DBBIYBAJZRFYHC-GFCCVEGCSA-N 233.311 2.295 0 40 BEAB Nc1ccc(OC[C@H]2CCCCO2)c(F)c1 14630640 RNQWPNNARUETMX-SNVBAGLBSA-N 225.263 2.356 0 40 BEAB CCc1ccc(NC(=O)C2CCNCC2)cc1 19412016 LKOVJSJKJSZNBN-UHFFFAOYSA-N 232.327 2.187 0 40 BEAB COc1ccc([C@H](N)C(F)(F)F)c(OC)c1 19967781 MJZVNVRMFKNDNI-VIFPVBQESA-N 235.205 2.266 0 40 BEAB Cc1cc(Cl)nc([C@H]2CCCN2C)n1 205697173 MBGCENZKNUKUCY-MRVPVSSYSA-N 211.696 2.205 0 40 BEAB O=C1NC(=O)c2ccccc2/C1=C/c1ccco1 3847550 ULTZHMUMFRJMEO-WQLSENKSSA-N 239.230 2.090 0 40 BEAB O=C(NCc1ccco1)c1cccc2cn[nH]c12 39553378 PKDOMPZKBSTTNQ-UHFFFAOYSA-N 241.250 2.086 0 40 BEAB CNC(=O)N1CCC(Cc2ccccc2)CC1 13803984 ZRKQOWGLWASDHM-UHFFFAOYSA-N 232.327 2.281 0 40 BEAB CCCN(C[C@H](C)O)C(=O)Nc1ccccc1 19691500 OKPBSJZLZYIFMM-NSHDSACASA-N 236.315 2.311 0 40 BEAB Sc1ncnc2c1cnn2Cc1ccccc1 65284 SLCUJURZNGAVEX-UHFFFAOYSA-N 242.307 2.163 0 40 BEAB CC(=O)Oc1ccc2oc(=O)cc(C)c2c1 366477 IJNCWCFCIOPZPE-UHFFFAOYSA-N 218.208 2.027 0 40 BEAB biogenic CNC(=O)c1c2c(nc3ccccc13)CCCC2 1699178 FNJPDRIZWPQVBT-UHFFFAOYSA-N 240.306 2.473 0 40 BEAB O=C(COc1ccccc1F)NCc1ccco1 6123690 COFJXTVZWMERSQ-UHFFFAOYSA-N 249.241 2.114 0 40 BEAB C[C@H](O)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 6651053 KECTVXVORSLESR-WUHRBBMRSA-N 211.349 2.316 0 40 BEAB NCc1csc(Nc2ccccc2)n1 11850540 ZQTWTMGYRYYPMZ-UHFFFAOYSA-N 205.286 2.345 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)c1ccc2[nH]cnc2c1 12544450 AATFLHCALQSJFA-MRVPVSSYSA-N 217.272 2.091 0 40 BEAB CCOc1ccc(OCC2CCNCC2)cc1 14631466 WZJSTYYBCWXBGC-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB CC(C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 15554527 NAOLHRIHJPKZAN-LLVKDONJSA-N 239.702 2.168 0 40 BEAB CC(C)Cc1nnc(S)n1Cc1ccco1 16972093 UNMKDXKDTBWSBS-UHFFFAOYSA-N 237.328 2.407 0 40 BEAB O=C(O)C(=C/C=C\C=C\c1ccccc1)C(=O)O 17156642 BDMPHXNMJHDACV-JJCLXCMFSA-N 244.246 2.352 0 40 BEAB CCOC(=O)Nc1cc(Cl)c2[nH]cnc2n1 17380862 FUGKOFWRHJVAAI-UHFFFAOYSA-N 240.650 2.180 0 40 BEAB Cc1ccccc1CNC(=O)c1ccncc1 18106602 SEBZBTVLULMNHS-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB C[C@@H](N)[C@@H](O)c1c(Cl)cccc1Cl 20216722 ZFDZETARMJTSGD-MLUIRONXSA-N 220.099 2.374 0 40 BEAB in-vitro Cc1ccsc1C(=O)N[C@@H](C)c1cnn(C)c1 27919465 HNBCKPLOZREHFP-VIFPVBQESA-N 249.339 2.281 0 40 BEAB COc1ccc([C@@H]2CN[C@@H]3CCCC[C@@H]3N2)cc1 29786569 ULTNYLBOBQQJAL-ILXRZTDVSA-N 246.354 2.240 0 40 BEAB in-vitro CC1CCN(CC(=O)N2CCCCCC2)CC1 32668144 ACFYCCFMBHPUEX-UHFFFAOYSA-N 238.375 2.121 0 40 BEAB COC(=O)c1sccc1NC(=O)[C@@H]1C[C@@H]1C 35163690 WNUUPAXJWOBHKE-NKWVEPMBSA-N 239.296 2.129 0 40 BEAB CN(C)[C@@H](C(=O)O)c1ccccc1C(F)(F)F 37358456 WUMZFHZYIKKVEH-SECBINFHSA-N 247.216 2.393 0 40 BEAB CONC(=O)c1c2c(nc3ccccc13)CCC2 48429842 RJJCKQCDZQXTSL-UHFFFAOYSA-N 242.278 2.015 0 40 BEAB CC(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 53641629 QGNMSFNLHNDRCY-KCJUWKMLSA-N 207.273 2.381 0 40 BEAB O=C(O)C1CCN(c2ccc(F)cc2)CC1 59613214 OSZVYVOEZNGDLY-UHFFFAOYSA-N 223.247 2.127 0 40 BEAB CC(=O)c1nc2cccc(Cl)c2n1C 62365656 QMCWAKIJDWKXHB-UHFFFAOYSA-N 208.648 2.429 0 40 BEAB C[C@@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1 66351325 MWKAMUJIXBCKIH-DGCLKSJQSA-N 248.326 2.135 0 40 BEAB O=c1[nH]ccn2nc(-c3ccccc3Cl)cc12 70459044 MNXSPWQHCPHZNA-UHFFFAOYSA-N 245.669 2.343 0 40 BEAB CC[C@@H](N)c1nccn1Cc1ccccc1 71790786 RBKIHBPQBBAGMX-GFCCVEGCSA-N 215.300 2.341 0 40 BEAB in-vitro FC(F)(F)C1=NO[C@H]2[C@H]1[C@@H]1C=C[C@H]2C1 72207038 BCXDKAVVMHYQOS-XZBKPIIZSA-N 203.163 2.126 0 40 BEAB Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)no1 75895265 AWXRIOMPXPSWGE-UWVGGRQHSA-N 226.345 2.309 0 40 BEAB CC(C)Oc1ncccc1NCC1(C)COC1 79474003 QECAFJOMQDOYCO-UHFFFAOYSA-N 236.315 2.317 0 40 BEAB NC1(c2cccnc2C(F)(F)F)CC1 95094338 WCCYTSXSTIPXRU-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB C[C@@]1(CO)CCCCN1Cc1ccccc1 95348021 LLESIGNGEUHSBR-AWEZNQCLSA-N 219.328 2.424 0 40 BEAB CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 95396259 LPOGUUHMZPLHAS-NSHDSACASA-N 240.253 2.441 0 40 BEAB Cc1c(NC(=O)[C@H]2CCOC2)cccc1N(C)C 95987039 HOAVBSQEXFVBAU-NSHDSACASA-N 248.326 2.036 0 40 BEAB NC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 96319959 MSAVCWILDMVVQV-NSHDSACASA-N 240.297 2.278 0 40 BEAB CC(C)NC(=O)N[C@H](C)CCc1cccn1C 96431294 BSZZNVLPDHHTHG-LLVKDONJSA-N 237.347 2.054 0 40 BEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCn1cccn1 106560162 XNLOBKHIBPEABL-FRRDWIJNSA-N 249.358 2.214 0 40 BEAB Cc1coc2c1[C@@H](O)C[C@@H](C(F)F)C2 217646269 VUCZSEHWJVOHSS-RQJHMYQMSA-N 202.200 2.449 0 40 BEAB CC(C)(C)NC(=S)Nc1ccncc1 223881766 ROMYDQKCOSLRPQ-UHFFFAOYSA-N 209.318 2.167 0 40 BEAB O=C1OCOc2c1ccc(F)c2Br 258830940 JCKPRNQJKUVNDS-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB N[C@@H](CC(=O)O)c1cccc(-c2ccccn2)c1 575440246 FLHWGNSGGWSTCW-LBPRGKRZSA-N 242.278 2.223 0 40 BEAB Cc1[nH]c(I)c(C)c1C=O 85085 KHWDORPYKLTEGJ-UHFFFAOYSA-N 249.051 2.049 0 40 BEAB CCOc1ccc(C(=O)CC(C)=O)cc1 101835723 URXDSLQKUZGZSZ-UHFFFAOYSA-N 206.241 2.247 0 40 BEAB Cc1ccnc(N/C=C\c2cccc[n+]2[O-])c1 104094469 VYAAPVXSCNPLCW-VURMDHGXSA-N 227.267 2.106 0 40 BEAB CCOC(=O)Cc1nc(-c2cccc(C)c2)no1 57353498 MALWEWWLDUKTMM-UHFFFAOYSA-N 246.266 2.151 0 40 BEAB Cn1nccc1-c1nnc(-c2ccccc2)o1 2843018 FFCQRLGGKAXQSJ-UHFFFAOYSA-N 226.239 2.137 0 40 BEAB NCC1(c2ccc(OC(F)F)cc2)CC1 20429505 PEJPDAMPXPCHPU-UHFFFAOYSA-N 213.227 2.278 0 40 BEAB OCc1c(Cl)cccc1N1CCCC1 34956760 AKVQSNMSTBJAPG-UHFFFAOYSA-N 211.692 2.433 0 40 BEAB in-vitro C[C@@H]1CNCCN1[C@H](C)c1ccccc1 107052088 OPHHITNORRLRPQ-VXGBXAGGSA-N 204.317 2.041 0 40 BEAB CC(=O)Nc1cc(-c2sccc2C)n[nH]1 58263951 WGZTVBURVBSQOG-UHFFFAOYSA-N 221.285 2.405 0 40 BEAB CC(=O)N[C@H](COCC(C)C)c1ccco1 58354785 ZXRUKUWQKKPQBU-LLVKDONJSA-N 225.288 2.129 0 40 BEAB Cc1noc([C@@H](C)NC(=O)Nc2ccccc2)n1 58439284 GKDSZUAHMZKJBB-MRVPVSSYSA-N 246.270 2.261 0 40 BEAB CC(C)(C)C(=O)N1CCOc2ccc(N)cc21 36379662 SOXZPKHZFLAKRK-UHFFFAOYSA-N 234.299 2.040 0 40 BEAB in-vitro C[C@H]1CN(C(=O)CCc2ccccc2)[C@H](C)CO1 45445955 HZLHZGMDFKMALW-OLZOCXBDSA-N 247.338 2.255 0 40 BEAB Fc1cccc(Cl)c1CC1OCCO1 2529053 UWJKXBZZDXBIQA-UHFFFAOYSA-N 216.639 2.395 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2N)C1 17744710 HBRDSVZHQXKCKQ-PHIMTYICSA-N 232.327 2.387 0 40 BEAB CCN1C(=S)N2CCCN2[C@@H]1c1ccccc1 4723846 JQHRJTKBCLYILQ-GFCCVEGCSA-N 247.367 2.228 0 40 BEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC1CCCC1 82943799 RWWDZVSKPHKNHH-TUAOUCFPSA-N 209.333 2.332 0 40 BEAB CSc1nc2ccccc2c(=O)n1C1CC1 7859635 JNYKHQCODWQVCJ-UHFFFAOYSA-N 232.308 2.453 0 40 BEAB COC[C@H](NC[C@@H]1CCCS1)C(C)C 87668208 PTMINOOBNNPDIH-QWRGUYRKSA-N 217.378 2.143 0 40 BEAB O=C(Cc1cccc(F)c1F)N1CCCC1 85208529 IPCFZRYVCGDJKN-UHFFFAOYSA-N 225.238 2.130 0 40 BEAB O=C(N[C@H](c1nccs1)C1CC1)C1CC1 89885309 WLBNXNZNZXQZRC-VIFPVBQESA-N 222.313 2.120 0 40 BEAB NC[C@H](CO)Cc1ccc(Cl)c(Cl)c1 62711349 DDPPHPOMXBYDGG-MRVPVSSYSA-N 234.126 2.103 0 40 BEAB CCCCN(CCCC)Cc1cc(=N)[nH]n1C 408717186 WQXDQOAFTUWHOW-UHFFFAOYSA-N 238.379 2.235 0 40 BEAB Cc1cc(N(C)C)ncc1[C@H]1CCCN1C 72218666 FEHBFAWECJCHDF-GFCCVEGCSA-N 219.332 2.223 0 40 BEAB CO[C@@H](c1ccccc1)[C@@H]1CCCNC1 72207899 IMQNCYAFHAKTKT-OLZOCXBDSA-N 205.301 2.374 0 40 BEAB N[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 37381414 QOLIRVSGYNYCCI-YUMQZZPRSA-N 217.190 2.400 0 40 BEAB COC(=O)[C@H](C)CN[C@H](C)c1ccccc1 35133483 KIJCPIKSICZNKI-GHMZBOCLSA-N 221.300 2.146 0 40 BEAB Cc1ccc([C@H](CN)N2CCCC2)cc1C 37179868 INJUAPOOOREKPT-AWEZNQCLSA-N 218.344 2.399 0 40 BEAB Cc1nc(N)ccc1[C@@H](O)c1ccccc1 72224127 RKFPKEXCZMYGCW-ZDUSSCGKSA-N 214.268 2.054 0 40 BEAB CCCNC(=O)c1cc(N)ccc1N(CC)CC 225483940 VEAIOGXVYZKFIF-UHFFFAOYSA-N 249.358 2.255 0 40 BEAB Cc1c[nH]nc1CN1CC(C)(C)C[C@@H]1C 335264236 YQPPSCKHOHNNEK-JTQLQIEISA-N 207.321 2.339 0 40 BEAB CC(=O)NC[C@H](O)c1ccc2ccccc2c1 95394495 JRMMYGIGOBOJED-AWEZNQCLSA-N 229.279 2.009 0 40 BEAB CS[C@@H](C)CNC(=O)Nc1ccncc1F 97376674 FNCXLOGKCXFCEM-ZETCQYMHSA-N 243.307 2.094 0 40 BEAB CC(C)N1CC[C@H](N)[C@H](Cc2ccccc2)C1 242687889 UZKWLRCARZKULO-CABCVRRESA-N 232.371 2.287 0 40 BEAB CN1C(=O)N(C)[C@@H]2[C@H](c3ccc(F)cc3)CC[C@@H]21 257307610 SZLOERDSQUKNNY-RWMBFGLXSA-N 248.301 2.438 0 40 BEAB CC(=O)N(Cc1ccc(F)cc1)C1CC1 32744763 ANAZIAJANSTCNX-UHFFFAOYSA-N 207.248 2.337 0 40 BEAB CCOc1cc(C(C)(C)C)ncc1C(=O)O 95643107 PGUVWJPSKOMFGS-UHFFFAOYSA-N 223.272 2.476 0 40 BEAB Nc1ccc(C(=S)N2CCCCC2)cc1 223733 JKKSMLIXGCREHV-UHFFFAOYSA-N 220.341 2.430 0 40 BEAB Cc1nnc2c(Nc3ccccc3)nccn12 1184580793 VXMCJGFPAPAUMJ-UHFFFAOYSA-N 225.255 2.176 0 40 BEAB Nc1cc(OC(F)(F)F)cc(Cl)c1N 306986254 XJGNPXXQMIKELE-UHFFFAOYSA-N 226.585 2.403 0 40 BEAB COC(=O)c1ccc(OCC(C)C)c(N)c1 36225716 BGTLYYCQXPFVIQ-UHFFFAOYSA-N 223.272 2.090 0 40 BEAB C[C@H](NC(=O)c1ccc(O)cc1F)C1CCC1 165342730 MLBFIBXTIFSWCP-QMMMGPOBSA-N 237.274 2.450 0 40 BEAB CC(=O)c1c[nH]c(C(=O)NC2CCCCC2)c1 7070995 PFNCMIXUOVGMCB-UHFFFAOYSA-N 234.299 2.280 0 40 BEAB COCC(=O)c1ccc(OC)c(C)c1C 36200525 WVZKJJFFKCOGLU-UHFFFAOYSA-N 208.257 2.141 0 40 BEAB CCOc1cc2[nH]ccc(=O)c2cc1OCC 34626503 UGAMEAXRFCKPAB-UHFFFAOYSA-N 233.267 2.326 0 40 BEAB O=C1CC(c2ccccc2)=NN1c1ccccn1 100862112 WOMZEWNZGULGJE-UHFFFAOYSA-N 237.262 2.223 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)COCc1ccccc1 40490152 PVWMRIDLGXBCCP-GFCCVEGCSA-N 247.338 2.460 0 40 BEAB CC(C)(C)CCNC(=O)CC[C@H]1CCCO1 40514201 SDTIKJZHIBJWIN-LLVKDONJSA-N 227.348 2.498 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](CCO)C(C)(C)C 32099042 GWNITSXTIFUCSM-VIFPVBQESA-N 231.336 2.308 0 40 BEAB in-vitro CC(=O)Oc1ccc(C(=O)N2CCCCC2)cc1 898091 WSKHTALERPSKIH-UHFFFAOYSA-N 247.294 2.238 0 40 BEAB CC(=O)NC(=S)Nc1cccc(C)c1C 1003708 PLGGVDCICRVJAZ-UHFFFAOYSA-N 222.313 2.136 0 40 BEAB Cc1cc2nccc(-c3ccncc3)n2n1 1384284 MSXYVHOQERUNSG-UHFFFAOYSA-N 210.240 2.100 0 40 BEAB Nc1ncc(-c2cc3ccccc3oc2=O)s1 1508278 AISFDDFSTIIUSV-UHFFFAOYSA-N 244.275 2.499 0 40 BEAB aggregator Cc1ccc(NC2=NCCO2)c2c1CCC2 1639237 RDYCAKQBFMMLOY-UHFFFAOYSA-N 216.284 2.282 0 40 BEAB CC(=O)NCc1nc2ccccc2n1CC(C)C 2721280 BXQDARSSZJAHJI-UHFFFAOYSA-N 245.326 2.328 0 40 BEAB O[C@@H](CN1CCCCC1)c1ccccc1 4777968 WMZSIEGEKUAGJB-ZDUSSCGKSA-N 205.301 2.206 0 40 BEAB COc1cc2c(c(OC)c1OC)C(=O)CCC2 5411045 JXOJACBQVPRJOI-UHFFFAOYSA-N 236.267 2.231 0 40 BEAB COc1ccccc1C(=O)N1CCCCC1 5721180 UCDOHFYQADLCON-UHFFFAOYSA-N 219.284 2.321 0 40 BEAB CC(=O)n1nc(-c2ccccc2)c2nccnc21 5726515 WQNYGMXPNMKVFT-UHFFFAOYSA-N 238.250 2.153 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)c1n[nH]c2ccccc12 12535895 HXMOFVLILAHRRQ-VIFPVBQESA-N 243.310 2.433 0 40 BEAB COc1ccc(OCC[C@@H]2CCCNC2)cc1 14632369 VTLNTXWIDXQCCK-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB COC(=O)COc1ccc(Cl)c(C)c1 15423313 IWMDKGWWVLAJNC-UHFFFAOYSA-N 214.648 2.200 0 40 BEAB NCc1ccnc(Oc2ccc(F)cc2)c1 19256966 FFFAEFIVCXMBKE-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro O=C(O)CSCc1ccccc1F 19269060 WYYYOCFFKHMWML-UHFFFAOYSA-N 200.234 2.144 0 40 BEAB CC(C)[C@H](NCc1ccccc1F)C(=O)O 19787742 DVKGSFRTYMCTCD-NSHDSACASA-N 225.263 2.025 0 40 BEAB CCN(CC)Cn1cnc2ccccc21 19851628 AKDMRCSMKPFUQM-UHFFFAOYSA-N 203.289 2.336 0 40 BEAB Cc1nc2sc3c(c2c(=N)n1N)[C@H](C)CCC3 20100291 AOALKGYSGFTUMV-ZCFIWIBFSA-N 248.355 2.039 0 40 BEAB CC[C@H](N[C@H](CC)CO)c1ccccc1 20194793 IBHAPVSEXAHHAZ-OLZOCXBDSA-N 207.317 2.498 0 40 BEAB C[C@@H](NC(=O)n1ccnc1)c1ccc(F)cc1 20283029 HUVIBBRNBRJCFX-SECBINFHSA-N 233.246 2.341 0 40 BEAB C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H](C)O1 20405787 ZDJTWVZXRZKZTD-HTQZYQBOSA-N 246.763 2.406 0 40 BEAB CCCCN(C)CC(=O)Nc1ccc(O)cc1 27342906 ZIDYDCQROUXEDU-UHFFFAOYSA-N 236.315 2.063 0 40 BEAB Cc1nccn1CC(=O)Nc1ccccc1Cl 30695741 FBTDCOPRXPYUOF-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB C=CC(=O)Nc1cc(Cl)ccc1C(=O)OC 36334365 FFAYAOHTHMHTBS-UHFFFAOYSA-N 239.658 2.251 0 40 BEAB O=C1CCN(c2ccc(C(F)(F)F)cc2)C1 37239861 WWLDKZRRWBZWRS-UHFFFAOYSA-N 229.201 2.485 0 40 BEAB Cc1cccc2c1C1(CCNCC1)OC2 39105236 QIYPJULNRGJKCO-UHFFFAOYSA-N 203.285 2.104 0 40 BEAB COC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 41421859 WIWYUMLFLGREMI-JQWIXIFHSA-N 235.283 2.215 0 40 BEAB O=C(Cc1ccccc1)OCC[C@H]1CCCCN1 42768766 BPOLSICDBCRNAZ-CQSZACIVSA-N 247.338 2.305 0 40 BEAB O=C(CSCc1ccccc1)NCC1CC1 43805088 XNTIZVYDEBADCE-UHFFFAOYSA-N 235.352 2.446 0 40 BEAB CCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44265095 PQUMKTQHBHSFRI-UHFFFAOYSA-N 249.701 2.275 0 40 BEAB Fc1cccc2ncnc(N3CCSCC3)c12 54060300 PAFGBOOSUAGHDI-UHFFFAOYSA-N 249.314 2.322 0 40 BEAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 68003590 DFALZQBOIYMCKU-ZDUSSCGKSA-N 243.310 2.257 0 40 BEAB NNc1ccc2cc(Br)ccc2n1 70063980 IDJVCSMWSWDWMG-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB Cc1ccc(C(=O)C(=O)O)c2ccccc12 70679886 WKYMZEUCUBFQEH-UHFFFAOYSA-N 214.220 2.416 0 40 BEAB CCCNc1ccc([C@H]2CCCN2C=O)cn1 72213182 BJEKKUYAKZFTMV-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB COCc1noc([C@@H]2CCOc3ccccc32)n1 83914984 QIJZDYGNJKIIPT-SNVBAGLBSA-N 246.266 2.130 0 40 BEAB C[C@@H](O)CNc1ccc2ccc(F)cc2n1 84640144 JPLZCVIDQJNNEU-MRVPVSSYSA-N 220.247 2.167 0 40 BEAB C[C@H](C(=O)O)N(C)Cc1ccc(F)c(Cl)c1 88046988 CKAKPXROXNNPQF-SSDOTTSWSA-N 245.681 2.384 0 40 BEAB CCN[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 95091422 XIJOIAYXSDNCDG-CYBMUJFWSA-N 242.363 2.386 0 40 BEAB CCC1CC(COc2ccc(N)cn2)C1 95093856 MYTJYTWNZRTEIE-UHFFFAOYSA-N 206.289 2.479 0 40 BEAB Fc1ccccc1CNCCN1CCCC1 95377585 ADYLNLBYVHXGOV-UHFFFAOYSA-N 222.307 2.011 0 40 BEAB CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 95393291 WQCQTTKTPPHIBG-UHFFFAOYSA-N 235.674 2.484 0 40 BEAB CNc1snc(C)c1C(=O)N1CCC1(C)C 95406189 BXNMWJLSEXNRKE-UHFFFAOYSA-N 239.344 2.118 0 40 BEAB Nc1sc2c(c1C(=O)c1cccnc1)CCC2 95882076 VDVWIZPBTMVTDY-UHFFFAOYSA-N 244.319 2.445 0 40 BEAB CCOC(=O)c1cc(C)c(Br)cn1 95932921 VFJXPOLLIIQEFS-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB in-vitro O=Cc1cccc(C2(F)CCOCC2)c1 107272112 NBAPKIGZRUTKJB-UHFFFAOYSA-N 208.232 2.474 0 40 BEAB O=C(CCC(F)(F)F)NCc1ccncc1 173027830 YXQGMRFVSPOBLY-UHFFFAOYSA-N 232.205 2.040 0 40 BEAB CNc1nc([C@]2(C)CCCNC2)cn2cccc12 205694455 AOIYOUVHDIUUAD-CQSZACIVSA-N 244.342 2.017 0 40 BEAB O=C1NC(=O)[C@H](Cc2ccccc2Cl)S1 218823345 XVCYNLJGTGQREY-QMMMGPOBSA-N 241.699 2.234 0 40 BEAB Nc1ncnc(Cl)c1Cc1ccccc1 225311524 PYPIYRULENESHO-UHFFFAOYSA-N 219.675 2.303 0 40 BEAB Cc1c(N)ccc(CC(=O)O)c1C(F)(F)F 228905708 HDVXHSZZEOBMSH-UHFFFAOYSA-N 233.189 2.223 0 40 BEAB CC[C@H](C)n1nccc1CNC[C@H]1CCCO1 256051101 HSCYJSXBRXJCHC-WCQYABFASA-N 237.347 2.123 0 40 BEAB COc1ccccc1Cc1cc(C(=O)O)ccn1 257197465 AEULNVQVSYTYLU-UHFFFAOYSA-N 243.262 2.379 0 40 BEAB CC(=O)OCC(=O)c1ccc(F)cc1Cl 308807309 PGTSEDDDXFRDSU-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB C[C@]1(C(=O)N[C@H]2CC=CCC2)CC1(F)F 334985481 DGLDDBFTSZXVHF-WCBMZHEXSA-N 215.243 2.257 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 924128308 OEVIFWQPSJCRKT-QWHCGFSZSA-N 233.311 2.419 0 40 BEAB CC(C)(C)NC(=O)[C@H]1CCN(CC2CCC2)C1 1889084172 RSSPHMPUJQNZJL-LBPRGKRZSA-N 238.375 2.023 0 40 BEAB Cc1csc2c(=O)n3c(nc12)CCCCC3 178935 NTPLSQMFBRPOSK-UHFFFAOYSA-N 234.324 2.493 0 40 BEAB CNc1nc(Cl)nc(Nc2ccccc2)n1 370330 KUEPSUSMVBMYAG-UHFFFAOYSA-N 235.678 2.310 0 40 BEAB Cn1ncc2c(Nc3ccccc3)ncnc21 525723 LTLUFTPFPWSLSB-UHFFFAOYSA-N 225.255 2.107 0 40 BEAB O=C(Nc1ccccc1)[C@H]1CCCC[C@@H]1CO 1597581 HTYFPCXDHPXDJO-YPMHNXCESA-N 233.311 2.424 0 40 BEAB CCOc1cc(C(=O)O)cc(Cl)c1O 3335916 AWZRDODNKDGNKP-UHFFFAOYSA-N 216.620 2.143 0 40 BEAB in-vitro O=C(O)/C=C(/CCC1CCCCC1)C(=O)O 5413308 QTBWCJKDRVFXFZ-NTMALXAHSA-N 226.272 2.443 0 40 BEAB CCOC(=O)c1cccc2cccnc12 5858324 WTLGTEPKKMWKPX-UHFFFAOYSA-N 201.225 2.412 0 40 BEAB in-vitro CCCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1 8700577 HATVSCMLERZKPT-UHFFFAOYSA-N 245.278 2.403 0 40 BEAB COc1ccc2nnc(-c3ccc(C)cc3)n2n1 9341391 DKNPRWOWJHLSFR-UHFFFAOYSA-N 240.266 2.108 0 40 BEAB CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O 12647607 VKOXJCPQUQBCAJ-SECBINFHSA-N 243.303 2.155 0 40 BEAB C/C=C(\c1ccccc1)N1CCOCC1 17023744 HTJIRDFVGHHLMZ-XNJYKOPJSA-N 203.285 2.380 0 40 BEAB CCCn1ccc(NCc2ccco2)n1 20351761 SZFUBZYZGOWJHA-UHFFFAOYSA-N 205.261 2.498 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 28502568 VFNDGNYTBJADNA-JTQLQIEISA-N 248.326 2.373 0 40 BEAB CCn1cc(C(=O)NCc2ccccc2)c(C)n1 28576579 KKUZTXNOHAKJBV-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB CCc1nnc2ccc(NCCC(C)C)nn12 32091890 WZQNWTDURQZNMY-UHFFFAOYSA-N 233.319 2.145 0 40 BEAB CC(=O)Nc1n[nH]c(C)c1-c1ccccc1 32219929 SUBCUVPGFVDABY-UHFFFAOYSA-N 215.256 2.344 0 40 BEAB O=C(c1ccc2c(c1)CCCC2)N1CCOCC1 32740553 NFPAPMRWXYVOQC-UHFFFAOYSA-N 245.322 2.038 0 40 BEAB C[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 32747705 PHWRIRSFUDHUIO-GFCCVEGCSA-N 232.327 2.273 0 40 BEAB C[C@H](C(=O)NC1CCCC1)N1CCCCCC1 33040169 ZVISZHOJWFELKD-GFCCVEGCSA-N 238.375 2.310 0 40 BEAB COc1ccc(OCC(C)C)c(C(=O)O)c1 37022379 KCMTWGBLJAPXEN-UHFFFAOYSA-N 224.256 2.428 0 40 BEAB NC1CCN(Cc2ccc(Cl)cc2F)CC1 38539831 YHOBIUCDZRYEMR-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB Cc1nn(-c2ccccc2)c(N)c1Cl 43664871 SSKXJZPZQLTKAT-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB C[C@]1(c2ccc(F)c(F)c2)C[C@H]1C(=O)O 49815106 BZIXVZCPWVTUKP-WRWORJQWSA-N 212.195 2.327 0 40 BEAB in-vitro CNCCCNCc1ccccc1Cl 57362396 XBTLWGWVAQBKIP-UHFFFAOYSA-N 212.724 2.039 0 40 BEAB Cc1nccc(C(F)(F)F)c1C(=O)O 71609633 GYDBBMRQODWXDG-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB in-vitro CCN(CCO)C(=O)NC1CCCCCCC1 71922690 GRBTYZPOSYIXHS-UHFFFAOYSA-N 242.363 2.123 0 40 BEAB CCOc1ccccc1-c1cc(O)on1 71976647 PJWHLPSOVNFQDE-UHFFFAOYSA-N 205.213 2.446 0 40 BEAB CNCc1ccc(N2CCCCCC2)nc1C 72224584 IEIXQSLFUHBNRT-UHFFFAOYSA-N 233.359 2.490 0 40 BEAB C[C@@]12CC3CC(NCC(=O)O)(C1)C[C@](C)(C3)C2 77302036 VENQYZMKCWDVAQ-AMZBWDOQSA-N 237.343 2.410 0 40 BEAB in-vitro CCNC(=O)c1ccc(OC2CCC2)cc1 79452260 LIVWTWGXVOIZPL-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C)cs1 83830280 JLJMQNQZSFLJFT-PSASIEDQSA-N 238.356 2.020 0 40 BEAB Nc1nc2ncc(Br)cc2s1 84225507 KECPYNZPHMOOEP-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB in-vitro CCOCCNC(=O)N(C)[C@@H](C)CC(C)C 84801354 ZYAYHGBWMCHKON-NSHDSACASA-N 230.352 2.099 0 40 BEAB C[C@@H](SC[C@@H](O)CO)c1c(F)cccc1F 89904505 OAYPLTBJUMHENG-SFYZADRCSA-N 248.294 2.112 0 40 BEAB CC1CC(C)(COc2ccc(N)cn2)C1 95093859 ZIRPHTIJDFLXSB-UHFFFAOYSA-N 206.289 2.479 0 40 BEAB C[C@H]1CN(C(=O)C2CC=CC2)C[C@H](C)S1 95403637 RWPJHEBNVIFJPX-UWVGGRQHSA-N 225.357 2.305 0 40 BEAB COCCOc1ncccc1NCc1ccco1 95430873 BURWFWKHTPFKML-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB CCSCCN1CCC[C@@H]1c1ncc[nH]1 95459756 OGOJKNFCMBGENI-SNVBAGLBSA-N 225.361 2.300 0 40 BEAB CC(=O)O[C@@H](C)C(F)(F)[C@@H](F)C(F)(F)F 95864326 CBTVHNOBDMIRTL-WVZVXSGGSA-N 238.127 2.474 0 40 BEAB Cc1c2c(nc3ccccc13)CN(C)C2=O 96026321 BAXCVDYPQVUCDR-UHFFFAOYSA-N 212.252 2.129 0 40 BEAB c1cc(C2CCNCC2)n(C2CCCC2)n1 96509759 WBWNPEFQBMBAKZ-UHFFFAOYSA-N 219.332 2.465 0 40 BEAB COc1cc(F)ccc1[C@](C)(O)C1CC1 96543349 PWLOJYOADLIDBB-GFCCVEGCSA-N 210.248 2.452 0 40 BEAB Cc1nc2nc3ccccc3n2c(O)c1C 102885320 WTRYDZHUFORXGE-UHFFFAOYSA-N 213.240 2.205 0 40 BEAB NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 125730818 YNEJIZAVWXWMTA-RKDXNWHRSA-N 240.100 2.038 0 40 BEAB O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]21 145565990 PTJMSNXGHGOXPN-NWDGAFQWSA-N 217.268 2.417 0 40 BEAB Cn1ncc2c(Cl)c(Br)cnc21 157023849 TUIAJMUAMBKDNS-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CN1C[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)C1 216590950 LYKVXZWRFQNWBF-WDEREUQCSA-N 239.702 2.070 0 40 BEAB CCOCc1cc(C(=O)O)ccc1OCC 224691427 HHMYKGARXZNRCN-UHFFFAOYSA-N 224.256 2.320 0 40 BEAB O=C(Nc1cnc2ccnn2c1)[C@@H]1CC=CCC1 225574101 KQJMVVUMSODGFA-SNVBAGLBSA-N 242.282 2.024 0 40 BEAB COC(=O)c1cc2ccc(OC)cc2nc1OC 252489473 JRQRZSLHVSTBCG-UHFFFAOYSA-N 247.250 2.039 0 40 BEAB O=C(O)c1ccc(Br)c2[nH]ncc12 258377681 XNDUVRGXTDBEMP-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB O=C(O)c1nccc(OC(F)F)c1Cl 306613858 LGODKTNPXGDUCN-UHFFFAOYSA-N 223.562 2.035 0 40 BEAB Cc1cccnc1NC(=O)C1CC(F)(F)C1 334496419 XYSZOJASZPPAIQ-UHFFFAOYSA-N 226.226 2.374 0 40 BEAB CCCC(=O)NCCc1ccc([C@H](C)O)s1 618256586 UOKWYWPBDRKWJR-VIFPVBQESA-N 241.356 2.260 0 40 BEAB COC(=O)c1cc(-c2ccc(Cl)cn2)on1 1857794076 ISBASXCMEGNWPJ-UHFFFAOYSA-N 238.630 2.177 0 40 BEAB Cc1nc(C2CCOCC2)cc(N2CCCC2)n1 1888843624 HURMITTZWNADPG-UHFFFAOYSA-N 247.342 2.279 0 40 BEAB C[C@@H](N)C(=O)Nc1cccc2ccccc12 2556510 QFQHMFXHIHLARW-SECBINFHSA-N 214.268 2.126 0 40 BEAB CC(C)(C)NC(=S)N1CCCCC1 59112932 BDLNRLHNSIBYEO-UHFFFAOYSA-N 200.351 2.145 0 40 BEAB C[C@@H]1Cc2c(nc3ccccc3c2O)O1 3944924 KNRXPIWXKFOEGF-SSDOTTSWSA-N 201.225 2.264 0 40 BEAB CSC(=N)Nc1ccc(C(=O)O)cc1 6485234 FSYMKVXVDOXXDR-UHFFFAOYSA-N 210.258 2.094 0 40 BEAB Cc1nc(-c2ccnc(Cl)c2)[nH]c(=O)c1C 57218706 PAIRXQOMYHXSSQ-UHFFFAOYSA-N 235.674 2.102 0 40 BEAB Cn1ccc(NC(=O)c2ccc(Cl)cc2)n1 2798415 YKGHLQCWXWYYGF-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB Cc1ccc(CN(C)C(=O)c2ccccn2)o1 33024025 ZFEHJRRXTAIKFY-UHFFFAOYSA-N 230.267 2.255 0 40 BEAB CCCCn1c2c(c(=S)[nH]c1=O)CCC2 8737546 YCSQHSKIGUOGGG-UHFFFAOYSA-N 224.329 2.195 0 40 BEAB CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12409967 HBMWQILXZYMGKB-UHFFFAOYSA-N 232.258 2.212 0 40 BEAB Cc1nc2c3c4c(sc3ncn2n1)CCC4 1036629 MZANQLHYXAKINB-UHFFFAOYSA-N 230.296 2.136 0 40 BEAB NC(=S)Cc1c[nH]c2cc(F)ccc12 47845004 UUQFKVVCBJJRBH-UHFFFAOYSA-N 208.261 2.136 0 40 BEAB CCCCNC(=S)Nc1ccc(OC)nc1 3227976 HVVLNYAJPTYWAB-UHFFFAOYSA-N 239.344 2.177 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(F)ccc1F 28210737 ZATNQOISPIKPOC-SSDOTTSWSA-N 213.227 2.493 0 40 BEAB C/C=C/CN1CCN(c2ccccc2O)CC1 48236161 FIADRQFSSILTKR-NSCUHMNNSA-N 232.327 2.090 0 40 BEAB CCCC[C@@H](C(=O)O)N1Cc2ccccc2C1=O 28167002 GHQIXBHPQQGSOM-LBPRGKRZSA-N 247.294 2.286 0 40 BEAB CCc1nc(CN2C[C@@H](C)OC[C@@H]2C)cs1 45785831 CTUFYUJCUZYSQS-VHSXEESVSA-N 240.372 2.315 0 40 BEAB Cc1ccc(SCC(=O)N(C)C)c(C)c1 12926133 NXAALNBZJKOQCF-UHFFFAOYSA-N 223.341 2.484 0 40 BEAB Cc1nc(NC(=O)[C@@H]2C[C@H]2C)sc1C 13021332 FIRYCVGSZAANRZ-SVGQVSJJSA-N 210.302 2.354 0 40 BEAB CCOC(=O)N[C@H](C)c1ccc2c(c1)OCO2 13329173 IJTKJSIFZMWKKS-MRVPVSSYSA-N 237.255 2.222 0 40 BEAB CCOC(=O)CCN(C)c1ccccc1 5393389 KIGKCEWLNGHFCS-UHFFFAOYSA-N 207.273 2.076 0 40 BEAB O=C(O)c1ccc2[nH]c(C3CC3)nc2c1 19772721 MUOXFPZUFVDVRB-UHFFFAOYSA-N 202.213 2.139 0 40 BEAB CCNC(=S)Nc1ccc(O)cc1C 16958047 YIFMLFHEXPUZRT-UHFFFAOYSA-N 210.302 2.007 0 40 BEAB Cc1cc(C)c(C(=O)O)c(Br)n1 26459676 VDZVUXBLMYTACO-UHFFFAOYSA-N 230.061 2.159 0 40 BEAB CCc1cnccc1C(=O)OC[C@H]1CC[C@@H](C)O1 97113103 PKZUPZILJHEZQJ-ZYHUDNBSSA-N 249.310 2.368 0 40 BEAB CO[C@]1(C)C[C@@H](NC(=O)[C@@H](C)SC)C1(C)C 73269029 SCJMDUOOKIPMPJ-KBVBSXBZSA-N 245.388 2.058 0 40 BEAB Oc1ccc(Sc2ncnc3[nH]ncc23)cc1 75582052 PZZDRVZFXIKXJF-UHFFFAOYSA-N 244.279 2.210 0 40 BEAB CCOc1ccc(C(=O)OC)c2ccncc12 34597945 RLWBKSDIDHHSDA-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cnc(N)cc1C 72218534 QARLHCBJDHSWFX-LBPRGKRZSA-N 233.315 2.046 0 40 BEAB c1ccc(-c2nc(C3CCNCC3)no2)cc1 32918322 IPDOVJXXVLTVOK-UHFFFAOYSA-N 229.283 2.204 0 40 BEAB CCCNc1ccc(C(=O)N2CCCC2)cc1N 217678680 NLGBYIZPNKUJAM-UHFFFAOYSA-N 247.342 2.327 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2C 74957283 KEGNMYOXBZEIHQ-SECBINFHSA-N 245.326 2.410 0 40 BEAB COc1cccc(N2CCN[C@H]3CCC[C@H]32)c1 218844353 WXARDROQBJKFJM-UONOGXRCSA-N 232.327 2.026 0 40 BEAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1 72218693 BWSHREWOGWULSH-GFCCVEGCSA-N 219.332 2.271 0 40 BEAB COc1ccc([C@@H]2CCCCN2C=O)c(C)n1 72218108 VVXFRUYSVNJROM-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB CNc1cc(C)c([C@H]2CCCN2C)cn1 72219026 KRQZAJVVAQLFEE-LLVKDONJSA-N 205.305 2.198 0 40 BEAB Fc1cccc(F)c1N1CCN[C@@H]2CCC[C@@H]21 225717539 JQRHECGNOBAGTD-NEPJUHHUSA-N 238.281 2.296 0 40 BEAB Cc1nscc1C(=O)NCCc1ccccc1 40757134 GLOSYFCLRVMKRV-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB Fc1cccc2[nH]cc([C@H]3CCNC3)c12 82927896 LBTLCUXSOAXTQM-QMMMGPOBSA-N 204.248 2.384 0 40 BEAB Cc1ccccc1COC[C@H]1CCNC1 42771881 YWGKARSLELFUKA-LBPRGKRZSA-N 205.301 2.121 0 40 BEAB COC(=O)C(=O)c1cc(Cl)cc(Cl)c1 95729515 WJTARTFNVWLIQU-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](C(=O)O)C(C)(C)C 95836239 YYOSOHHBTSZOOE-QMMMGPOBSA-N 245.319 2.258 0 40 BEAB COC(=O)COc1cccc2c1CCCC2 148253555 LIUQBUDXVMKVKZ-UHFFFAOYSA-N 220.268 2.117 0 40 BEAB OC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCSC1 97371010 XONVDBHBIGNZGZ-XQQFMLRXSA-N 243.416 2.413 0 40 BEAB CCCCN(CCCN)C(=O)OC(C)(C)C 95863248 NTOQTDPBGNSKAN-UHFFFAOYSA-N 230.352 2.372 0 40 BEAB CCc1nc(Cl)c2c(ncn2CC)n1 96529521 YMJHCWYXTMABTG-UHFFFAOYSA-N 210.668 2.062 0 40 BEAB COC(=O)[C@@H]1CCCc2cnn(C(C)C)c2C1 575423973 INLSLFKOGXETJV-SNVBAGLBSA-N 236.315 2.132 0 40 BEAB FC(F)(F)C1CN(c2nccs2)C1 892897975 BAIDOEUVPJVGNH-UHFFFAOYSA-N 208.208 2.142 0 40 BEAB CC(=O)CC(=O)n1ccc2ccccc21 100078729 YYBRVTXZUHUFDR-UHFFFAOYSA-N 201.225 2.261 0 40 BEAB O=NN(CC(=O)O)c1ccc2ccccc2c1 5340726 XZERWLNMYNQFKM-UHFFFAOYSA-N 230.223 2.412 0 40 BEAB O=C(NCc1ccccc1)NC1CCCC1 13015317 SJIDJHDHGFFNES-UHFFFAOYSA-N 218.300 2.428 0 40 BEAB CNc1nccc(-c2ccc(F)cc2)n1 16189504 VLJVUDRKTMCOLM-UHFFFAOYSA-N 203.220 2.324 0 40 BEAB Cc1cc2cnc(C)n2c([C@H]2CCCCN2)n1 205694248 ILIJKHPFQDMZOD-GFCCVEGCSA-N 230.315 2.161 0 40 BEAB COc1cc(C)c(/C=C/C(=O)O)cc1OC 1701370 CFNVAYXXQASCPQ-SNAWJCMRSA-N 222.240 2.110 0 40 BEAB Nc1ccn(Cc2cccc3cccnc23)n1 37418756 BFLZPDVOZLLVCR-UHFFFAOYSA-N 224.267 2.062 0 40 BEAB in-vitro CN(C(=O)c1cccc(F)c1)C1CCC1 266058704 PVFHOCCDPADQNQ-UHFFFAOYSA-N 207.248 2.450 0 40 BEAB CC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1 77072 QWIXQIPYBXOMTG-UHFFFAOYSA-N 246.184 2.451 0 40 BEAB O=c1cc(O)cc(/C=C/c2ccc(O)cc2)o1 6092612 ORVQWHLMVLOZPX-ZZXKWVIFSA-N 230.219 2.221 0 40 BEAB in-vitro COCCNCc1ccc(F)cc1Cl 20036188 YMEFKBDUUQITEK-UHFFFAOYSA-N 217.671 2.215 0 40 BEAB CC(C)C(=O)N1CCCc2ccc(N)cc21 20182741 QEWJDPSYOVEFKL-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB in-vitro COCCSCC(=O)NC1CCCCCC1 40497761 BMLHAFIZOXIOKB-UHFFFAOYSA-N 245.388 2.205 0 40 BEAB CC(C)(C)C(=O)COc1ccc2nonc2c1 60929 VVDLTUZGBFOAKJ-UHFFFAOYSA-N 234.255 2.217 0 40 BEAB CCN(CC)CCNc1nc2ccccc2[nH]1 1422718 NNBHPKUSHGYYBR-UHFFFAOYSA-N 232.331 2.317 0 40 BEAB Nc1nc(CC(=O)c2ccccc2)cs1 1518571 CSNWEDRWWVJFHC-UHFFFAOYSA-N 218.281 2.151 0 40 BEAB in-vitro CO[C@H](C)CCOC(=O)Cc1ccccc1 2046601 OIUOZCYEDMSSFU-LLVKDONJSA-N 222.284 2.197 0 40 BEAB CCCOc1ccc([C@@H]2CNC(=O)C2)cc1 2285677 GTWLTAZTPPGDPL-NSHDSACASA-N 219.284 2.079 0 40 BEAB Cc1ccccc1N1C(=O)[C@@H]2CCCN2C1=S 2789750 GRGZNZGHFWOLDW-NSHDSACASA-N 246.335 2.091 0 40 BEAB COCCCNC(=O)Nc1ccc(C)cc1 6814609 PNDHJMBLQARPAQ-UHFFFAOYSA-N 222.288 2.153 0 40 BEAB COC(=O)[C@H](C)Oc1ccc(C)cc1C 6844165 UYKPOWLXZPFYTL-JTQLQIEISA-N 208.257 2.244 0 40 BEAB COc1ccc(CCNc2ncccn2)cc1 8324994 YBRFXXOAQGWDOE-UHFFFAOYSA-N 229.283 2.140 0 40 BEAB Brc1ccc(-c2cn[nH]n2)cc1 13671882 RYKZCPFWGNDOQV-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB CCCOC(=O)c1n[nH]c2ccccc12 16183272 VGWNFZLTOOITMB-UHFFFAOYSA-N 204.229 2.130 0 40 BEAB CC(=O)Nc1ccc2nc(C)c(C)nc2c1 17185541 UPQVQCOBKSXQMP-UHFFFAOYSA-N 215.256 2.205 0 40 BEAB CN1CCn2c(nc3cc(Cl)ccc32)C1 21799915 RWFQQNPYWPRTEB-UHFFFAOYSA-N 221.691 2.135 0 40 BEAB O=C(NCC1CCC1)c1cc(C2CC2)on1 26143587 OBXVCFYQFIKFBH-UHFFFAOYSA-N 220.272 2.082 0 40 BEAB Fc1ccccc1COC[C@@H]1CCCN1 28521836 ZPBKLXSKUDAQHX-NSHDSACASA-N 209.264 2.094 0 40 BEAB COc1ccc(/C=C\C(=O)O)c(Cl)c1OC 33373959 JIPTVEJKXDVECY-XQRVVYSFSA-N 242.658 2.455 0 40 BEAB Cc1cccc(CN(C)C2CCNCC2)c1 36301451 WIBJDOBALBFQOJ-UHFFFAOYSA-N 218.344 2.179 0 40 BEAB COc1ccc2cc([C@H](C)NCCN)ccc2c1 37712598 PMNWHCPQOTYZHQ-NSHDSACASA-N 244.338 2.458 0 40 BEAB COC(=O)c1ccc2cccc(N)c2c1 39084984 WVPKJZOHAGFBBA-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB Cc1cccc(NC(=O)N2CCC(O)CC2)c1C 40525351 BWKJJCXKZPECNS-UHFFFAOYSA-N 248.326 2.292 0 40 BEAB Brc1ccc([C@H]2COCCN2)cc1 41286261 FXQWZIVIJAEZCN-SNVBAGLBSA-N 242.116 2.110 0 40 BEAB in-vitro COCC(=O)N[C@H](C)c1cc(C)ccc1C 41302099 UKMXJKHBTCQGAJ-LLVKDONJSA-N 221.300 2.127 0 40 BEAB COCCN(Cc1cccs1)C1CC1 45008588 NLEQFTJNCCCFGC-UHFFFAOYSA-N 211.330 2.359 0 40 BEAB O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1O 52000844 NTZKHITWYBDGJJ-KGLIPLIRSA-N 247.338 2.039 0 40 BEAB CCOC(=O)CCOc1cc(F)cc(F)c1 54931870 SRRZPEOXBZFWME-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB C=CC(=O)N1CCC2(CC1)OCc1ccccc12 60177400 DOGSIYIJFQVFPZ-UHFFFAOYSA-N 243.306 2.221 0 40 BEAB CCO[C@H](CNC)c1ccc(F)cc1F 62711583 XFCCYKQPKARBEV-LLVKDONJSA-N 215.243 2.262 0 40 BEAB OC[C@H](c1ccc(F)c(F)c1)N1CCCC1 70453248 HCYAJXNBVBUXHX-GFCCVEGCSA-N 227.254 2.094 0 40 BEAB COC(=O)[C@]1(C)CCc2ccccc2C1 71790765 XOYPOULSHGDOMD-CYBMUJFWSA-N 204.269 2.355 0 40 BEAB in-vitro CCN(C)C(=O)Cc1coc(-c2ccccc2)n1 71867841 RNUXKECFNNGNLQ-UHFFFAOYSA-N 244.294 2.362 0 40 BEAB Cc1ncsc1C(=O)OC[C@H]1CCCCO1 71970804 UZUNGVMMTVMSIZ-SECBINFHSA-N 241.312 2.177 0 40 BEAB Cc1nc(N(C)C)ccc1[C@H]1CCCN1C 72218726 SJPGJTJUEQWKSO-GFCCVEGCSA-N 219.332 2.223 0 40 BEAB CCc1cc(CNC(=O)c2ccc(F)cc2)on1 78136773 RGEGFTBWBONWQE-UHFFFAOYSA-N 248.257 2.306 0 40 BEAB COC(=O)c1csc(C=O)c1Cl 82379997 BJCSIOGSYICVLX-UHFFFAOYSA-N 204.634 2.001 0 40 BEAB Cc1onc(C(=O)O)c1-c1ccccc1 82531817 DPAWBADSUUGNQR-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB CCOc1ccc(-c2nc(CC)n[nH]2)cc1OC 85384432 PSRPLKNAWIAQKG-UHFFFAOYSA-N 247.298 2.441 0 40 BEAB CCOC(=O)[C@@H]1N=NC[C@H]1c1ccc(OC)cc1 85389850 TWEQXAIFXJNBKL-NWDGAFQWSA-N 248.282 2.176 0 40 BEAB COCC(=O)c1ccc(F)cc1Cl 86521537 IURSROZHUMRPRP-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB Cc1ccc(Oc2nn(C)cc2N)c(C)c1 95836587 JDDFKEJPKZHUCV-UHFFFAOYSA-N 217.272 2.411 0 40 BEAB COCCCSc1ncn(-c2ccccc2)n1 95949545 RNWPRBZWNPTSEB-UHFFFAOYSA-N 249.339 2.396 0 40 BEAB CC[C@@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 97376647 KGUGDEOTIRHQJE-SSDOTTSWSA-N 222.292 2.057 0 40 BEAB N[C@H]1CC[C@H](NCC2CCCCC2)CC1 100809580 LEWYLIZPAYHPCK-BETUJISGSA-N 210.365 2.426 0 40 BEAB Cc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)o1 119160551 UNGUCYBEACYRKC-CABCVRRESA-N 243.306 2.336 0 40 BEAB Cc1cc(CO)c(C)n1Cc1ccco1 223698868 GNTFAHAIBKENSK-UHFFFAOYSA-N 205.257 2.239 0 40 BEAB CCN1CCN(c2cc(C)c(C)cc2N)CC1 226218647 LOZQTSMHMSENGS-UHFFFAOYSA-N 233.359 2.028 0 40 BEAB Cc1nn(C(C)C)cc1NCc1cnn(C)c1 256050318 DPOQJVLQMVSBAW-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1nn(C)cc1NCc1ccnn1C(C)C 256053109 QBOHXAXWUJENCE-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CC(C)c1cc(CNCc2cccn2C)n(C)n1 256054051 UTNHCGFBSCQTMI-UHFFFAOYSA-N 246.358 2.172 0 40 BEAB CC(C)COCc1ccn(C(F)F)n1 408715358 KUINMDBCKVYENV-UHFFFAOYSA-N 204.220 2.451 0 40 BEAB FC(F)(F)COc1cncnc1Cl 685936293 OUXVUNJGTSITNF-UHFFFAOYSA-N 212.558 2.071 0 40 BEAB COC(=O)CCc1c[nH]c2cc(OC)ccc12 1857793210 KTKHRWFIXSIMNX-UHFFFAOYSA-N 233.267 2.282 0 40 BEAB Cc1cc(Cl)ccc1-c1ncn(C)n1 2362801300 CBBRNKPCVKUDMW-UHFFFAOYSA-N 207.664 2.444 0 40 BEAB CC(C)(C)C1C[C@@H](C(=O)O)C[C@H](C(=O)O)C1 345924 XXNPTKXZIXYOFU-YUMQZZPRSA-N 228.288 2.234 0 40 BEAB COc1ccc(Nc2cn[nH]c(=S)n2)cc1 2686097 LNXXPWIDJFPXJG-UHFFFAOYSA-N 234.284 2.286 0 40 BEAB CCCn1c(=S)[nH]c2ccc(O)cc2c1=O 4864234 PJRXKXRZKMUFJT-UHFFFAOYSA-N 236.296 2.175 0 40 BEAB CC(C)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 8502390 OCBXXFBQDKYXHA-CQSZACIVSA-N 246.310 2.110 0 40 BEAB O=c1cc(C(F)(F)F)[nH]n1-c1ccc(F)cc1 9937397 URURQPXMFOPSIM-UHFFFAOYSA-N 246.163 2.324 0 40 BEAB CCOC(=O)c1cccc(C)c1NC(C)=O 13007595 GVORFQIGZKZATQ-UHFFFAOYSA-N 221.256 2.130 0 40 BEAB Nc1nc(-c2cc(Cl)nc(Cl)n2)cs1 13209492 LRQGEPZLAYVWQQ-UHFFFAOYSA-N 247.110 2.489 0 40 BEAB Cc1c(C(=O)O)cnn1-c1ccc(F)cc1F 21965562 RJBXTZNSOMPKAC-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB in-vitro CC(C)CC[C@@H](C)NC(=O)/C=C/c1ccnn1C 24463406 TYYKKMKVYCUJTH-ABZNLYFFSA-N 249.358 2.374 0 40 BEAB Cc1cnc(C(=O)NCc2sccc2C)cn1 25678734 UZOTYKRCSHRBHH-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB c1cc(OC[C@H]2CO2)c2ccncc2c1 33966321 HQMJNOFHNIQORU-SNVBAGLBSA-N 201.225 2.012 0 40 BEAB Oc1ccc(OCc2ccncc2)cc1 34962362 IQWXVGMUFOPNOC-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB in-vitro CCOc1ccc(N)cc1CN1CCCC1 37065059 IGZUQQSXZWPSPB-UHFFFAOYSA-N 220.316 2.263 0 40 BEAB in-vitro NC(=O)CCc1ccc(Cl)cc1Cl 37390018 XUZGZTXIPRIZMH-UHFFFAOYSA-N 218.083 2.411 0 40 BEAB CCNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 38566759 MWJMJPJFFJEVIN-GFCCVEGCSA-N 248.326 2.214 0 40 BEAB CCOC(=O)c1cc(OC)n(-c2ccccc2)n1 39208526 ACOYTVKWAQINBN-UHFFFAOYSA-N 246.266 2.058 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)C(C)(C)C 40050122 KFBYYTJFNPLLIB-VIFPVBQESA-N 209.289 2.373 0 40 BEAB COc1ccc([C@@H](O)c2ccoc2)cc1 40244252 AVKIEDIRHGKOAS-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB CC(C)[C@H](C)NC(=O)CC[C@H]1CCCO1 40506179 ACKJFZLEIUITEQ-WDEREUQCSA-N 213.321 2.106 0 40 BEAB Cc1csc(NC(=O)CCc2ccncc2)n1 40538640 SMVHRRWJYAQORT-UHFFFAOYSA-N 247.323 2.418 0 40 BEAB Cc1cc(NC(=O)N[C@@H](C)c2ccncc2)no1 44889563 USBXWOBIOJHSID-VIFPVBQESA-N 246.270 2.261 0 40 BEAB CCc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)o1 46437210 WLRMJTPTUDAEKF-NXEZZACHSA-N 237.299 2.091 0 40 BEAB COC1CCN(Cc2cccc(F)c2)CC1 53906785 ONVQSTVXEUKAFI-UHFFFAOYSA-N 223.291 2.437 0 40 BEAB Cc1nc(-c2ccccc2)c(CCN)o1 57491204 LCEOQDMXMITMRS-UHFFFAOYSA-N 202.257 2.151 0 40 BEAB O=c1[nH]cc(Br)c2cc(F)ccc12 64033568 LLHQSKGXDXYXJD-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB O=C(O)c1cc2ccccc2nc1S 70601829 WDAIWBFVPXHDCN-UHFFFAOYSA-N 205.238 2.222 0 40 BEAB C[C@H]1CN(Cc2ccccc2Cl)CCN1 71531942 VWPNHKQITQZVIG-JTQLQIEISA-N 224.735 2.134 0 40 BEAB Cc1ccc(C(=O)OC2COC2)cc1Cl 71883943 KDAQYJLVJZJQCX-UHFFFAOYSA-N 226.659 2.204 0 40 BEAB CCCC[C@H](CC)C(=O)N1CCN[C@@H](C)C1 71978904 SEWVWPDQTJUGNR-RYUDHWBXSA-N 226.364 2.023 0 40 BEAB COC(=O)c1cccc2c1O[C@@H](C)[C@H]2C 73193849 JSLIOTYZZRXGLQ-SFYZADRCSA-N 206.241 2.358 0 40 BEAB O=C(Nc1ccccc1)N[C@@H]1CCC[C@H](O)C1 75156797 WDNXBNRDYJIYLR-NEPJUHHUSA-N 234.299 2.112 0 40 BEAB Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)C(N)=O)C1 76387132 XRRCGRJEYBMFFS-FRRDWIJNSA-N 246.354 2.047 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 82306118 KPIJBNIEQKRTLM-GXTWGEPZSA-N 246.354 2.206 0 40 BEAB Cc1ccc(OCc2ccccc2)c(CO)n1 85973951 VTFUMBATUAVGOW-UHFFFAOYSA-N 229.279 2.461 0 40 BEAB CCc1noc(CS[C@@H]2CCO[C@H]2C)n1 95974159 QVMDBWSPKSHBER-JGVFFNPUSA-N 228.317 2.043 0 40 BEAB CC(C)Cn1cc(Br)c(C=O)n1 96528856 DQQRVXFYVGIAAC-UHFFFAOYSA-N 231.093 2.114 0 40 BEAB CCOCCN(C)Cc1cnc2ccc(C)cn12 97235430 QEAVONSNARADSS-UHFFFAOYSA-N 247.342 2.111 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](O)CCC[C@H]21 102137351 MRMYRYLVMIZVQM-HBNTYKKESA-N 241.331 2.157 0 40 BEAB COc1c(C)cc(Br)cc1CO 156176512 JVGBLWPQHTYOLV-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB C[C@@H](CCN(C)Cc1nnc[nH]1)c1ccccc1 193980781 DOVNWRGDAYRAID-LBPRGKRZSA-N 244.342 2.430 0 40 BEAB CC(C)(C)OC(=O)[C@@]1(N)C[C@H]1c1ccccc1 253179821 BWHFMXFCBHHMIA-SMDDNHRTSA-N 233.311 2.213 0 40 BEAB c1ccc(CO[C@H]2CNCC[C@]23CCCO3)cc1 257202643 AMSIXYZLRHTKJZ-LSDHHAIUSA-N 247.338 2.114 0 40 BEAB N#Cc1ccc2sc(N3CCOCC3)nc2c1 261014723 ZCQPUATWRMBEPA-UHFFFAOYSA-N 245.307 2.005 0 40 BEAB c1nc(N2CCCCC2)c2ncn(C3CC3)c2n1 292298706 AFDZVOZFJTXKTB-UHFFFAOYSA-N 243.314 2.152 0 40 BEAB C[C@H]1CCN1C(=O)OCc1ccccc1 706862342 MRINSPLKSKCVBN-JTQLQIEISA-N 205.257 2.417 0 40 BEAB O=C(O)c1cc(-c2c(F)cc(F)cc2F)on1 1535822269 MVRMOOSVRYQSSD-UHFFFAOYSA-N 243.140 2.457 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@@H](N)C(C)C 11958415 OSOXIVWSQQOFAQ-ZDUSSCGKSA-N 234.343 2.018 0 40 BEAB CCc1ccc(C2=Nn3cnnc3SC2)cc1 32604020 APZFMMHSSNCYOR-UHFFFAOYSA-N 244.323 2.199 0 40 BEAB O=C(CCOc1ccccc1)N1CCCC1 46466495 CMFUTEXWESZWJA-UHFFFAOYSA-N 219.284 2.078 0 40 BEAB CO[C@@H](C(=O)O)c1ccc(Cl)cc1 1734855 OFASTQPKCTUSPZ-MRVPVSSYSA-N 200.621 2.112 0 40 BEAB C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccn1 102267412 RZMSCKRNXLDYMH-CYDGBPFRSA-N 242.322 2.471 0 40 BEAB Cc1ccc(Nc2ncnc(N)n2)cc1Cl 6503837 FUUSNHVDBHCLNO-UHFFFAOYSA-N 235.678 2.159 0 40 BEAB CCOc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)ccn1 102750025 MVQOFSIPPTZSIP-JQWIXIFHSA-N 246.310 2.105 0 40 BEAB COC(=O)c1c(-c2ccccc2)n[nH]c1C 8700338 MBAVNHIXRPPZHB-UHFFFAOYSA-N 216.240 2.172 0 40 BEAB N[C@@H]1CCN(c2cccc3ccccc23)C1 33427024 ZPQSEBQJGIBLJP-GFCCVEGCSA-N 212.296 2.377 0 40 BEAB Cc1cc(C(=O)O[C@H]2CCOC2)ccc1F 82516292 PLQQASMTIHFJRZ-JTQLQIEISA-N 224.231 2.080 0 40 BEAB CC(C)n1cc(C(=O)C(F)(F)F)cn1 82589442 JAVDJDQEDRNTQR-UHFFFAOYSA-N 206.167 2.209 0 40 BEAB in-vitro CCCN(C)Cc1nc(CC(C)C)no1 58162304 HWXKHMOTQPTHAC-UHFFFAOYSA-N 211.309 2.110 0 40 BEAB CC(C)[C@@H](NCC(N)=O)c1ccc(Cl)cc1 58279969 INOHVGRDDOHTMJ-GFCCVEGCSA-N 240.734 2.112 0 40 BEAB CCOC(=O)[C@H](N)CCC1CCCCC1 2384215 PSCLUEJVKGLUSF-LLVKDONJSA-N 213.321 2.237 0 40 BEAB CC1CCC(NC(=O)[C@@H](C)n2cccn2)CC1 28276289 NBWOEFAJBGJGFQ-MOENNCHZSA-N 235.331 2.139 0 40 BEAB Nc1ccccc1N1C[C@@H](C(F)(F)F)OC1=O 72295220 XVKHXGMAXKQROH-QMMMGPOBSA-N 246.188 2.156 0 40 BEAB in-vitro Cc1ccc(/C=C/C(=O)NCC(C)C)o1 6278747 KEKDOQVAOWTNKT-VOTSOKGWSA-N 207.273 2.373 0 40 BEAB COc1ccc(CCOC[C@@H]2CCCNC2)cc1 14631070 PLWTXGVVETUSRT-CQSZACIVSA-N 249.354 2.254 0 40 BEAB Cc1ccccc1CCNCc1ncc[nH]1 67666709 KMXRYCNANZOBHR-UHFFFAOYSA-N 215.300 2.050 0 40 BEAB CC1(C)C(C(=O)NCCCCC(=O)O)C1(C)C 91482231 OTYKGKXROFCPMP-UHFFFAOYSA-N 241.331 2.040 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)Nc2cccnn2)o1 95411875 LWCJCXGIAXXWTR-SECBINFHSA-N 246.270 2.261 0 40 BEAB CC(C)(C)c1cnc(SCCOCCO)o1 95416488 PROJTVOCEODDNR-UHFFFAOYSA-N 245.344 2.073 0 40 BEAB CCc1oc(C(=O)NCc2ncoc2C)cc1C 95450906 KFUXEWSQCMJZCC-UHFFFAOYSA-N 248.282 2.377 0 40 BEAB CCCCC(=O)NC[C@@](C)(O)C1CCCC1 75245826 XJFQRNBXBQEFOB-CYBMUJFWSA-N 227.348 2.234 0 40 BEAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 32787740 IEJIMLDSAATWGJ-JQWIXIFHSA-N 233.315 2.127 0 40 BEAB O=C(NCC1CCC1)c1ccc2[nH]cnc2c1 35238780 RYZJELVCMWGQPF-UHFFFAOYSA-N 229.283 2.093 0 40 BEAB O=C(c1cc(Cl)c[nH]1)N1CCCSCC1 71853575 DWDGCSVOKDZVLD-UHFFFAOYSA-N 244.747 2.247 0 40 BEAB CCn1c(=O)c(S)c(O)c2ccccc21 217441582 MJTIKTRIZAJWRX-UHFFFAOYSA-N 221.281 2.016 0 40 BEAB COC(=O)C[C@@H](C)NCCCc1ccccc1 37719579 PNEJKAQZERIXJR-GFCCVEGCSA-N 235.327 2.160 0 40 BEAB CC(C)c1nsc(N2CCSCC2)n1 89893705 KEOVXKPUFFWBQW-UHFFFAOYSA-N 229.374 2.215 0 40 BEAB CCOc1ccccc1C(=O)CCC(=O)OC 43368589 ARRUNIPSKHCGJS-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CCc1ccc(C(=O)N2CCO[C@H](CC)C2)o1 40514071 WXDMACUGZKYBBN-LLVKDONJSA-N 237.299 2.093 0 40 BEAB C[C@@H](NN)c1c(F)cccc1C(F)(F)F 84931456 QFGOMSVQJUQHJJ-RXMQYKEDSA-N 222.185 2.369 0 40 BEAB CC(=O)c1ccc(N)cc1OC(F)F 199544142 RMRUDOYQAFIVFA-UHFFFAOYSA-N 201.172 2.073 0 40 BEAB CC(=O)Nc1cc(C)nn1-c1ccccc1F 84105255 BUALWAOPQFQWBR-UHFFFAOYSA-N 233.246 2.278 0 40 BEAB CC(C)c1nnc(N2CCSC[C@@H]2C)o1 336196109 RYRSFPFBLJYEQF-QMMMGPOBSA-N 227.333 2.135 0 40 BEAB O=C(N[C@H]1CCOc2ccccc21)C1=CCC1 95456775 NUFGVCZILROQNC-LBPRGKRZSA-N 229.279 2.347 0 40 BEAB COc1ccc(CNc2cc(C)nn2C)cc1 237184727 RKLUAWSCJIMIPZ-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB C[C@H]1COCCN1C(=O)CCCc1ccccc1 46746321 BUOPTXUETUFDKI-ZDUSSCGKSA-N 247.338 2.257 0 40 BEAB CCCNC(=O)Nc1cccc(-n2cccn2)c1 48488884 YQGJNYCSSVZUJN-UHFFFAOYSA-N 244.298 2.404 0 40 BEAB COCCN(C)C(=O)Nc1cccc(Cl)c1 49211882 VNYSDCNCHNMEEC-UHFFFAOYSA-N 242.706 2.450 0 40 BEAB NC1(C(=O)Nc2ccc(C3CC3)cc2F)CC1 868025059 LQTWUSHGANNBOF-UHFFFAOYSA-N 234.274 2.133 0 40 BEAB CC(=O)N[C@H](C)COc1c(C)cccc1C 56437343 DNSFMKGQWLZMOJ-LLVKDONJSA-N 221.300 2.207 0 40 BEAB in-vitro CCOCCCN1Cc2ccc(N)cc2C1 36988176 NJNJHDULCWSORL-UHFFFAOYSA-N 220.316 2.011 0 40 BEAB in-vitro Cc1c(F)ccc(N)c1Br 97442007 MEPFEFYEAMAGSH-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB O=C(CF)c1ccc(Br)cc1O 169795982 JUCUQDIXNUEOKK-UHFFFAOYSA-N 233.036 2.307 0 40 BEAB CCNCc1c[nH]c(-c2ccccc2)n1 62821031 NQCFXEHJTQPKEW-UHFFFAOYSA-N 201.273 2.186 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CNCCn1cccn1 95986285 ULEOHDRNTMVFSY-UONOGXRCSA-N 233.359 2.465 0 40 BEAB OC1(Cc2cc(F)cc(Cl)c2)CCNCC1 1083805677 KYISOJCCCGAPKP-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CCCNC(=S)N1CCCC[C@H]1C 6264890 LUSJGOHWJIVENI-SECBINFHSA-N 200.351 2.145 0 40 BEAB CCCCN[C@@H](Cc1ccccc1)C(=O)O 2043791 XJUJRXBTMCGHTA-LBPRGKRZSA-N 221.300 2.072 0 40 BEAB COc1ccc(C(=O)CC2=NC(C)(C)CO2)cc1 5044200 LDGCYFUFDMZERI-UHFFFAOYSA-N 247.294 2.475 0 40 BEAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)N)c1 157437044 GQYGDSBYCKWBAW-OCCSQVGLSA-N 246.354 2.314 0 40 BEAB CC(C)[C@H](C)NS(=O)(=O)c1ccccc1 9513791 MEBKLVWLMKGVNW-JTQLQIEISA-N 227.329 2.009 0 40 BEAB CCN(Cc1ccncc1)C(=S)NC(C)C 19074645 CBNZNEAKGOOTQM-UHFFFAOYSA-N 237.372 2.186 0 40 BEAB Cc1ccc(C[C@H](C(=O)O)N2CCCC2)cc1 41260675 MWNAQBRGDJBYLG-CYBMUJFWSA-N 233.311 2.087 0 40 BEAB c1cnn(-c2cc(NC3CCCC3)ncn2)c1 64543372 AIPXMHJZNHVZEG-UHFFFAOYSA-N 229.287 2.017 0 40 BEAB CN(C)C(=O)c1csc(Cc2ccccc2)n1 40088861 QWCLSVTTYFMLPS-UHFFFAOYSA-N 246.335 2.436 0 40 BEAB COC(=O)Nc1cc(C)n(-c2ccccc2)n1 75632 IAIJDORQFIWZAY-UHFFFAOYSA-N 231.255 2.359 0 40 BEAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CC[C@@H]1C2 290485 QECZLPBEKKZRFH-HOSYDEDBSA-N 219.284 2.332 0 40 BEAB S=c1nc(-c2ccccc2)nc(S)[nH]1 1563461 LQNFQBOPCGRBJB-UHFFFAOYSA-N 221.310 2.490 0 40 BEAB CCCCS(=O)(=O)NC1CCCCC1 1845251 MBMOGJGVYAHBLN-UHFFFAOYSA-N 219.350 2.039 0 40 BEAB CC(C)C(=O)Nc1ccccc1N1CCOCC1 3116955 KDUFMVIBIKORAP-UHFFFAOYSA-N 248.326 2.118 0 40 BEAB NNc1cc(C(F)(F)F)c(C(F)(F)F)cn1 3133836 DGYCYKFKWPSGBZ-UHFFFAOYSA-N 245.126 2.405 0 40 BEAB C[C@H]1[C@H]2CC[C@]1(c1ccccc1)C(=O)O2 4023529 LNMNSKLQCMUAGQ-NDMJEZRESA-N 202.253 2.280 0 40 BEAB COc1ccc([C@@H](C)n2nccc2N)cc1 4575253 PVDNFFDOIHTQQB-SECBINFHSA-N 217.272 2.083 0 40 BEAB C[C@@]12C[C@@H](NC(=O)N1)c1cc(Cl)ccc1O2 4852772 PQEUXWPZCHVGEW-LDYMZIIASA-N 238.674 2.193 0 40 BEAB CCOc1ccc(-c2cc(N)[nH]n2)c(OCC)c1 5525798 CZROGCMCZHYPKD-UHFFFAOYSA-N 247.298 2.456 0 40 BEAB CCCOc1c(Cl)cc(C(N)=O)cc1OC 6891065 HTPVCUSOKPODEZ-UHFFFAOYSA-N 243.690 2.236 0 40 BEAB O=C(O)[C@H](C[C@H]1CCCCO1)C(F)(F)F 16159181 NNERFLUWPQXZJM-RQJHMYQMSA-N 226.194 2.209 0 40 BEAB O=[S@](NCc1ccccc1)c1ccccc1 17014486 PJPAKLNHDAYPMC-MRXNPFEDSA-N 231.320 2.499 0 40 BEAB Cc1cccc(OCCNC(=O)NCC2CC2)c1 25088332 CQBRNNWDGSWBML-UHFFFAOYSA-N 248.326 2.083 0 40 BEAB O=C(O)c1cccc2c(F)c(O)ccc12 31777151 BXYLFSCZRGHQSK-UHFFFAOYSA-N 206.172 2.383 0 40 BEAB O=c1ccnc(-c2ccc(Cl)cc2)[nH]1 32217908 VQRSIMLDRAXXQX-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB in-vitro CNCCCc1cc(-c2ccccc2)[nH]n1 32937538 BWHBNIKYRZEZMQ-UHFFFAOYSA-N 215.300 2.229 0 40 BEAB in-vitro CC(C)c1nc(-c2cccc(N)c2)no1 35697077 KDCTXMTYDPURSY-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB COCC(=O)N[C@@H](C)c1cc(C)sc1C 40509376 MQWXGTJLAMCSJF-QMMMGPOBSA-N 227.329 2.189 0 40 BEAB COc1ccc(OC)c(-c2cnc[nH]2)c1 41212568 PEISARQXJVCNNF-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB Clc1cncc(NCc2ccco2)n1 42783988 PEEZSSNXCUTRPK-UHFFFAOYSA-N 209.636 2.335 0 40 BEAB in-vitro CCCCNc1ncnc2c(C)nn(CC)c12 57280052 RBXZSABIQXADEA-UHFFFAOYSA-N 233.319 2.367 0 40 BEAB CC(C)OC(=O)c1ccc(N)c(Cl)c1 57351490 JKKOARIAAJSTIY-UHFFFAOYSA-N 213.664 2.487 0 40 BEAB CC(=O)Nc1ncc(Cl)cc1Br 57353711 ATJWJMLUXARBIC-UHFFFAOYSA-N 249.495 2.456 0 40 BEAB CC[C@H](C)NCc1ccc(OCC(=O)O)cc1 62716798 LHLHMHBHDNRDJH-JTQLQIEISA-N 237.299 2.038 0 40 BEAB CCOc1cc(C)ccc1NC(=O)N(C)C 69769336 YAIFRFFCJDJAFF-UHFFFAOYSA-N 222.288 2.487 0 40 BEAB CCOC(=O)CCCN(C)c1ccccc1 71809161 MMNYLRPQFIUOFQ-UHFFFAOYSA-N 221.300 2.466 0 40 BEAB CC(C)c1n[nH]cc1I 72339155 INBOIUGVELRNHO-UHFFFAOYSA-N 236.056 2.138 0 40 BEAB C[C@@](O)(CNc1ccccn1)c1ccccc1 79311309 JLGQVLSMOLMIDA-CQSZACIVSA-N 228.295 2.401 0 40 BEAB OCc1ccc(OCCF)c(Cl)c1 87775980 FNMAWIZNHOSRIF-UHFFFAOYSA-N 204.628 2.181 0 40 BEAB C[C@H]1CCCC[C@H]1NCCSCCCO 95421996 RXJGGMILHZTIAR-NWDGAFQWSA-N 231.405 2.270 0 40 BEAB Cc1ccc(C(=O)/C=C\C(=O)O)cc1Cl 95727024 NCSLEPBPNRZIRT-PLNGDYQASA-N 224.643 2.472 0 40 BEAB CCC(CC)(CO)NCc1ccnc(Cl)c1 96424677 MPZUBDQLIVQMBW-UHFFFAOYSA-N 242.750 2.376 0 40 BEAB C[C@H]1CCC[C@H](OCC(=O)Nc2cnccn2)C1 97379898 ZECMPNSYZKPSBB-QWRGUYRKSA-N 249.314 2.010 0 40 BEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1 100634398 BJAKPGOJIDRMHT-OPRDCNLKSA-N 205.257 2.198 0 40 BEAB O[C@@H]1C(Br)=C[C@@H]2CC[C@@H]1C2 101138251 DPZZTZLILXNWSC-JKMUOGBPSA-N 203.079 2.056 0 40 BEAB CCOc1ccccc1C(=O)CC(C)=O 101835738 MCOSNBBXMARGIU-UHFFFAOYSA-N 206.241 2.247 0 40 BEAB CC(C)n1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)n1 104044557 LTUKGEPFYOLYHI-QWRGUYRKSA-N 233.315 2.089 0 40 BEAB Nc1cccc(N2C(=O)CC[C@@H]2C(F)(F)F)c1 117581186 JUFQGOFSCMMUKG-SECBINFHSA-N 244.216 2.327 0 40 BEAB C[C@H](N)C(=O)N(CC1CCC1)c1ccccc1 119180234 LSAGMIMILQOJFJ-NSHDSACASA-N 232.327 2.167 0 40 BEAB COc1cccc2c(NCCCN)ccnc12 212770039 UZUOKJIPBRIFQY-UHFFFAOYSA-N 231.299 2.004 0 40 BEAB Cn1nccc1-c1ccc(Br)cn1 217065670 YEEVYGUZMRIKTI-UHFFFAOYSA-N 238.088 2.245 0 40 BEAB CC[C@@H](NC(=O)COC)c1ccccc1C 224120965 BFPYDAZEMUNITF-GFCCVEGCSA-N 221.300 2.209 0 40 BEAB COc1ccc(CCC(=O)NC(C)C)cc1C 225377826 BHHGRQBRHSYWAA-UHFFFAOYSA-N 235.327 2.461 0 40 BEAB C[C@H](NC(=O)CC1=CCCCC1)c1cn[nH]c1 229960260 MDEYMFHDXHFTQH-JTQLQIEISA-N 233.315 2.477 0 40 BEAB CCn1ccc(CNCc2ccc(F)s2)n1 256051875 KVJJKFCSYQLIKA-UHFFFAOYSA-N 239.319 2.393 0 40 BEAB CCOC(=O)c1cc(-c2ccc(O)cc2)on1 259814711 ZZPULVAZQJOCDA-UHFFFAOYSA-N 233.223 2.224 0 40 BEAB Cc1cccc(O[C@@H]2CCC[C@H]2N(C)C)n1 585654717 KSPFPICFCODTRU-VXGBXAGGSA-N 220.316 2.252 0 40 BEAB FC[C@@H]1CCN(c2ncnc3ccsc23)C1 882840232 OTQFGAYNXHJMLS-QMMMGPOBSA-N 237.303 2.487 0 40 BEAB CN1[C@H]2CC[C@@H]1CC(NCc1ccccc1)C2 198761 IJBWOPMYRYEKGI-GOOCMWNKSA-N 230.355 2.401 0 40 BEAB C1Cc2onc(-c3noc4c3CCC4)c2C1 1588238 HDUNYIXYYBYSJK-UHFFFAOYSA-N 216.240 2.307 0 40 BEAB Cc1ccc(-n2nc(C)cc2N)c(C)c1 3296684 SUVJXCVTYXQWDZ-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB in-vitro CCC1=C(Nc2ccccc2)COC1=O 4771408 VNSQOUUSEQNNBZ-UHFFFAOYSA-N 203.241 2.319 0 40 BEAB CCCNC(=S)Nc1ccc2ncncc2c1 6398316 MIIKYEUBVVKECB-UHFFFAOYSA-N 246.339 2.326 0 40 BEAB Cc1ccccc1OC[C@H](C)NC(=O)C1CC1 55693664 ZXDFJBCCQNLEGD-NSHDSACASA-N 233.311 2.289 0 40 BEAB Fc1cccc2c(NC[C@@H]3CCCO3)ncnc12 41471136 LZLOLFHMAPZHOP-VIFPVBQESA-N 247.273 2.360 0 40 BEAB O=c1nc(-c2ccc(Cl)cc2)n2cc[nH]cc1-2 103099684 UKZOYYWDTIYUCT-UHFFFAOYSA-N 245.669 2.319 0 40 BEAB C[C@]12CCCC[C@@](C)(CC1)S2(=O)=O 101036705 SJBAUIMWJAJXOX-UWVGGRQHSA-N 202.319 2.286 0 40 BEAB COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C)nn1 37527388 WHKNFVUBXVJIEX-VHSXEESVSA-N 249.314 2.254 0 40 BEAB CCCn1cnc2sc(C)c(C)c2c1=O 949483 HNDHFJTYYJZPQI-UHFFFAOYSA-N 222.313 2.485 0 40 BEAB O=Cc1cncc(OCc2ccccc2)c1 34408985 SCOQOUXGEUQUCY-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB COc1nc(OC)c(Cl)c(OC)c1Cl 24621968 WSPOVNWWCSXCBN-UHFFFAOYSA-N 238.070 2.414 0 40 BEAB Cc1cccc(C(=O)N(CC(=O)O)CC(C)C)c1 57537577 FZIMRXKXLMAWDW-UHFFFAOYSA-N 249.310 2.178 0 40 BEAB Cc1ccoc1C(=O)N(C)[C@@H](C)C1CC1 58308773 VAMZWKSMYGNFLJ-VIFPVBQESA-N 207.273 2.459 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCCc2ncccc21 69514800 OLAMLSJLYGEJSG-VHSXEESVSA-N 216.284 2.017 0 40 BEAB Cc1ccc2nc(S[C@H](C)C(=O)O)[nH]c2c1 4386202 QKMVZTPHRLGLGU-SSDOTTSWSA-N 236.296 2.437 0 40 BEAB Nc1ccnn1[C@@H]1CCCc2ccccc21 19689497 XGRMROKOYHRHCO-GFCCVEGCSA-N 213.284 2.391 0 40 BEAB Cc1ccnc(NC[C@@H](C)Cn2cccn2)c1 91452945 MBRLPPZNRHNIIB-GFCCVEGCSA-N 230.315 2.335 0 40 BEAB C[C@H](CCO)SCc1nc(C(C)(C)C)no1 71922073 TVYQMLPFXFGKOL-MRVPVSSYSA-N 244.360 2.371 0 40 BEAB CC(=O)c1ccc(N2CCCOC2=O)cc1 84011233 CYGYSXWVFUODGI-UHFFFAOYSA-N 219.240 2.236 0 40 BEAB in-vitro CN[C@@H](CO)c1c(Cl)cccc1Cl 38121199 YPXNWLRSDRZHBJ-QMMMGPOBSA-N 220.099 2.246 0 40 BEAB COC(=O)c1ccc2c(c1)nc1n2CC[C@@H](C)C1 32918727 BWCMLFDWTHYEGQ-SECBINFHSA-N 244.294 2.405 0 40 BEAB Nc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 36222630 NHBSLQLBMOIQEF-UHFFFAOYSA-N 243.291 2.234 0 40 BEAB CCOC(=O)NC[C@@](O)(c1ccccc1)C1CC1 70965710 SICNZGUXMNVRAX-CQSZACIVSA-N 249.310 2.030 0 40 BEAB Cc1ccc(-c2cc(N)n(C)n2)c(C)c1 36938208 KVIOXCLHSYXEAX-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB C[C@H]1Oc2cc(Br)ccc2[C@@H]1N 87015805 MAUVFYGVIZXQHV-MLUIRONXSA-N 228.089 2.230 0 40 BEAB CNCCCNc1ccnc2c(F)cccc12 222678299 IDOHQOZHTQHTTG-UHFFFAOYSA-N 233.290 2.395 0 40 BEAB Cc1ccccc1S(=O)(=O)CCOC(C)C 83025131 LISASODBROCEHX-UHFFFAOYSA-N 242.340 2.194 0 40 BEAB CCc1ccc([C@H](C)NC(=O)COC)cc1 41298319 GGVVQPYWXDUVOV-JTQLQIEISA-N 221.300 2.073 0 40 BEAB CCC(CC)C(=O)NCCCCn1ccnc1 41533832 QCJUJLPIGZDTJV-UHFFFAOYSA-N 237.347 2.216 0 40 BEAB CC[C@H](N)COCc1c(F)cccc1F 89262677 HIKLYJACZCGZAZ-QMMMGPOBSA-N 215.243 2.219 0 40 BEAB Nc1c(Br)sc2c1CCOC2 132953674 XMCHAWCUPSQHQD-UHFFFAOYSA-N 234.118 2.166 0 40 BEAB CC(C)(C)OC(=O)NC1[C@H]2CC=CC[C@H]12 225753847 XLYHXOPCEVMQKC-IUCAKERBSA-N 209.289 2.476 0 40 BEAB COCCC1(COc2ccc(N)cn2)CCC1 95093854 KNRFSZYOQKOGQT-UHFFFAOYSA-N 236.315 2.249 0 40 BEAB CC(OCC(F)(F)F)OCC(F)(F)F 94986127 DGVXCRVPAZPYKD-UHFFFAOYSA-N 226.116 2.490 0 40 BEAB CCSc1ccc(C(=O)C(=O)OC)cc1 95729525 GQCMOCOTXVHQDW-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB COc1ccc(-c2cc(=O)[nH]c(C3CC3)n2)cc1 96530943 VKCIOMOMUGIHDY-UHFFFAOYSA-N 242.278 2.323 0 40 BEAB CNC(=O)CSCc1ccccc1Cl 247922450 CPDFLDIUKJIBEO-UHFFFAOYSA-N 229.732 2.319 0 40 BEAB CC(C)Cn1nccc1CNCc1ccco1 256050160 CYWGEKGUVMBXBG-UHFFFAOYSA-N 233.315 2.422 0 40 BEAB N=C(N)[C@H]1C[C@@H]1c1ccc(Br)cc1 575423444 NJRWLSBDDNFIKQ-BDAKNGLRSA-N 239.116 2.489 0 40 BEAB Cc1noc(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 42354045 RGOYYICCSFIJRA-NWDGAFQWSA-N 235.331 2.390 0 40 BEAB C[C@@H]1CC[C@@H](CO)CN1Cc1ccsc1 93739027 ZLYXYXYFQMTCAL-GHMZBOCLSA-N 225.357 2.341 0 40 BEAB O=C(O)[C@H]1Cc2cccc(Br)c2C1 96988543 SVJMSROPAWUXIJ-ZETCQYMHSA-N 241.084 2.249 0 40 BEAB COc1ccc([C@@H](O)C(F)(F)F)c(F)c1 41066661 WJSHOLWKRRNMOD-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB Sc1nc(-n2cccc2)cc(-n2cccc2)n1 1554503229 QDYAUASYMQSBFO-UHFFFAOYSA-N 242.307 2.347 0 40 BEAB CCC(CC)CNC[C@@H]1CCCN1CC 19959779 UXLNOHDOYOXABN-ZDUSSCGKSA-N 212.381 2.497 0 40 BEAB C[C@H](Sc1ccc(F)c(Cl)c1)C(N)=O 14198410 BSFURVHDOZURIP-YFKPBYRVSA-N 233.695 2.445 0 40 BEAB Cc1ncc(C(=O)Nc2cccc(F)c2)c(C)n1 19936948 VTWBMYCJNVSTKX-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB NN[C@H](c1ccc(Br)cc1)C1CC1 161792582 LQAOIJJICQHYLH-JTQLQIEISA-N 241.132 2.364 0 40 BEAB O=C(Nc1ccccc1-n1cncn1)C1CCC1 28024166 QUOGZKCORWEJTD-UHFFFAOYSA-N 242.282 2.006 0 40 BEAB Cc1nc(CN2CCO[C@@H](C(C)C)C2)oc1C 95465911 NKWIMEFUZXLGGA-GFCCVEGCSA-N 238.331 2.148 0 40 BEAB CC(C)(C)CNC(=O)c1ccc2[nH]cnc2c1 40494486 JFBJMENCDDTKST-UHFFFAOYSA-N 231.299 2.339 0 40 BEAB Cc1ccccc1NC(=O)/C=C/c1ccnn1C 40069442 MLROYVCZHWHOME-BQYQJAHWSA-N 241.294 2.380 0 40 BEAB COC1CCN(c2ccc(C(=O)O)cc2)CC1 20267289 DJGCMZGIXJHKQP-UHFFFAOYSA-N 235.283 2.000 0 40 BEAB c1ccc2[nH]c(S[C@H]3CCNC3)nc2c1 51783977 FOYUFLWZLHKOGS-QMMMGPOBSA-N 219.313 2.017 0 40 BEAB NC(=O)[C@H](c1ccccc1)C1CCCC1 150431 JSUQXHOMGSWZBI-GFCCVEGCSA-N 203.285 2.446 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@@H](O)C1CCCC1 1746936 WATXZLVPCPBXBW-STQMWFEESA-N 234.295 2.406 0 40 BEAB CC[C@@H](NC1=NCCO1)c1cccs1 3607568 ANMFSKZAOMFWOH-MRVPVSSYSA-N 210.302 2.175 0 40 BEAB O=C1CNC(=O)N1c1cc(Cl)cc(Cl)c1 6091338 OGCORJSEYZKHIN-UHFFFAOYSA-N 245.065 2.050 0 40 BEAB COc1ccc(CNCC(C)C)c(OC)c1 6883613 ASIYSGREOWWVKO-UHFFFAOYSA-N 223.316 2.449 0 40 BEAB CCCNC(=S)NC[C@H]1C[C@@H]2CC[C@@H]1C2 100950743 NFUAHOFRICDJBM-GMTAPVOTSA-N 226.389 2.297 0 40 BEAB COc1ccc(OC)c(-n2cccc2C=O)c1 8701940 GKGGOGLEYRUJRE-UHFFFAOYSA-N 231.251 2.307 0 40 BEAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100335290 HFOFBRTWHXZMTL-FOGDFJRCSA-N 216.284 2.456 0 40 BEAB O=Nc1cc2c3c(c1O)CCCN3CCC2 22521055 KFUSCAKGIBYMAA-UHFFFAOYSA-N 218.256 2.489 0 40 BEAB CC1CCN([C@H](CN)c2cccs2)CC1 19795719 HJPGNUUFVKJORI-LLVKDONJSA-N 224.373 2.480 0 40 BEAB in-vitro CCCCCCC(=O)Nc1nncs1 3016646 QCTZLERRJPXIKJ-UHFFFAOYSA-N 213.306 2.447 0 40 BEAB COC(=O)c1cc(OC)nc2ccccc12 34217386 MCOOETCYPKUYLA-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB in-vitro c1ccc2nc3c(nc2c1)OC[C@@H]1CCCCN31 1390765 JVXSCCVPBJZLFY-JTQLQIEISA-N 241.294 2.381 0 40 BEAB N#CNc1nc2ccccc2nc1Cl 3259812 CYUVNEHDBWNWEN-UHFFFAOYSA-N 204.620 2.176 0 40 BEAB O=C(O)Cc1c(Cl)cncc1Cl 44375827 ZDLRXCFRCJBYJF-UHFFFAOYSA-N 206.028 2.016 0 40 BEAB CCN(C(=O)[C@H](N)CC(C)C)C1CCCC1 35766372 MDCBIWTVDZWHMY-GFCCVEGCSA-N 226.364 2.151 0 40 BEAB C[C@H](C(=O)N(C)Cc1ccsc1)n1cccn1 44681065 SWGUNXQXTNRCNG-SNVBAGLBSA-N 249.339 2.164 0 40 BEAB Brc1cnn(-c2nccs2)c1 38074905 QNSYQSPKBSGFIM-UHFFFAOYSA-N 230.090 2.091 0 40 BEAB in-vitro Cc1occc1C(=O)N[C@@H](C)c1ccccn1 28782613 GYSGWOOJWQAPPI-VIFPVBQESA-N 230.267 2.474 0 40 BEAB CCNC(=O)c1sccc1-n1cccc1 5952605 IRVILWZBEHFNML-UHFFFAOYSA-N 220.297 2.289 0 40 BEAB CCOc1ncnc2sc(C(=O)O)c(C)c12 70007072 ZIGBMQXNFLUVET-UHFFFAOYSA-N 238.268 2.097 0 40 BEAB CCNC(=O)N1CC(Cc2ccccc2F)C1 72314334 OXBPLLSWLLQEDS-UHFFFAOYSA-N 236.290 2.030 0 40 BEAB CCN(CC)C(=S)S[C@@H]1C[C@@H](C)OC1=O 72685738 LWYQSYPRAPNDIA-HTQZYQBOSA-N 247.385 2.050 0 40 BEAB CC(C)(C)OC(=O)N1CC2CCC1(CO)CC2 35330413 OTDCXAASUKNCST-UHFFFAOYSA-N 241.331 2.158 0 40 BEAB N=C(N)SCc1cc(F)cc(F)c1 71980732 CBSLCFWMDRXONF-UHFFFAOYSA-N 202.229 2.091 0 40 BEAB CCC/C=C/C=C/C[C@H](CC(=O)O)NC(C)=O 31163445 BSATYPPYQRYOBE-SJFBBLFCSA-N 239.315 2.268 0 40 BEAB biogenic,in-vitro Cc1ccc(OC[C@H]2CCNC2)c(C)c1 38580779 KYRBHXMFTHPSNV-LBPRGKRZSA-N 205.301 2.292 0 40 BEAB O=C(O[C@H]1CCCCO1)[C@H]1C[C@H]2C=C[C@@H]1C2 71789817 MHUBFPQGHSPRRB-USZNOCQGSA-N 222.284 2.268 0 40 BEAB O=C(O)[C@H]1CCC2(C1)SCCS2 217904255 DWYZQVWIRSAKFG-LURJTMIESA-N 204.316 2.047 0 40 BEAB c1cnc(N2CCCCC2)c([C@@H]2CCCN2)c1 72216084 BDZBZRAHCMIYOY-ZDUSSCGKSA-N 231.343 2.496 0 40 BEAB CC1(C)C[C@@H](C(=O)O)c2ccccc2O1 41214662 BWVFHFVXJOLMIC-SECBINFHSA-N 206.241 2.416 0 40 BEAB CCNC(=O)COc1cccc(C(F)(F)F)c1 41103600 JIUWMQYAEXDAFL-UHFFFAOYSA-N 247.216 2.220 0 40 BEAB Fc1ccc2[nH]cc(Br)c2n1 44700026 KJOGOILKOIOAMX-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB COCCCn1c(C)nc2cc(C)c(N)cc21 223770655 DBBBHTYFMARGNV-UHFFFAOYSA-N 233.315 2.272 0 40 BEAB O=c1ccc(Br)cn1CC1CCC1 85463819 CHPKJIGDFJZLDB-UHFFFAOYSA-N 242.116 2.411 0 40 BEAB OCc1ccc(OCCF)c(Br)c1 87775988 GILJLKDSXHAVPG-UHFFFAOYSA-N 249.079 2.290 0 40 BEAB CC(C)[C@@H](CO)NCCc1cccc(F)c1F 97094651 NVLCCAMVDCIZNP-GFCCVEGCSA-N 243.297 2.114 0 40 BEAB O=C(c1cc(Br)ccn1)C1CC1 252508044 XAYZXFGKWDVBHF-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB Clc1cnc2nc3c(cc2c1)COCC3 2298031338 HUFOABORONLHJQ-UHFFFAOYSA-N 220.659 2.356 0 40 BEAB Oc1cnc2[nH]cc(Br)c2c1 44712768 RXZBSFDUWWUMOP-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB in-vitro CNCCc1ccccc1C(F)(F)F 55234172 VOGNEAQSRHVRKK-UHFFFAOYSA-N 203.207 2.467 0 40 BEAB C[C@@H]1CCCCN1C(=O)NCC[C@@H]1CCCO1 71925624 JDBYKZAQKFGNDU-NEPJUHHUSA-N 240.347 2.140 0 40 BEAB Clc1cncnc1N[C@@]12CCC[C@@H]1C2 664159461 GPKBDBKXJWEZKI-GMSGAONNSA-N 209.680 2.485 0 40 BEAB C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCO1 16970901 ZTHUFHDZSOTLRE-PWSUYJOCSA-N 225.332 2.250 0 40 BEAB CON(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 40415043 TULTZWHNOJBPGT-UHFFFAOYSA-N 232.283 2.418 0 40 BEAB COC(=O)COc1cc(Cl)ccc1C(C)=O 498565 RGALPZNIXYCVHP-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CCOC(=O)[C@@]1(C)CCCC(C)(C)C1=O 1081355 JXCZRFBBEUNPTN-LBPRGKRZSA-N 212.289 2.335 0 40 BEAB Cc1nn2c(-c3ccccc3)nnc2s1 8040526 YZMQXQLOTHZPNG-UHFFFAOYSA-N 216.269 2.161 0 40 BEAB biogenic O=C(COc1ccc2ccccc2c1)N1CCC1 12978778 LBTSOOOPERTSQN-UHFFFAOYSA-N 241.290 2.451 0 40 BEAB N[C@H](CC(=O)N1CCCCCC1)c1ccccc1 19506888 WPRJDNWVJHFNKE-CQSZACIVSA-N 246.354 2.479 0 40 BEAB Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 32828209 JCXANVRNCTVZAX-GFCCVEGCSA-N 247.342 2.104 0 40 BEAB CN(C)C(=O)c1cc(Cl)nc(Cl)c1 36951641 HBFLVNYJAVVALY-UHFFFAOYSA-N 219.071 2.090 0 40 BEAB O=C(O)[C@H](c1c(F)cccc1F)N1CCCC1 37360193 AZMKQCBJJOPXLY-NSHDSACASA-N 241.237 2.186 0 40 BEAB Cc1ccc(C(F)(F)F)c(C(N)=O)c1 39712956 RDTKTRWLTBJWBZ-UHFFFAOYSA-N 203.163 2.113 0 40 BEAB CC[C@H](C)C(=O)NOCc1ccccc1 40488089 BAXQFDFCFWTGPI-JTQLQIEISA-N 207.273 2.281 0 40 BEAB CC(=O)N1CCC(c2nc(C)c(C)s2)CC1 40623704 PAJKLXHTJMGLEH-UHFFFAOYSA-N 238.356 2.486 0 40 BEAB O=C(NCc1ccccc1)c1ccnc(F)c1 41038782 VZBWQLMWJXZSDI-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB Fc1ccc(COC2CCNCC2)c(F)c1 42782974 QHDKGQLEHAOVHJ-UHFFFAOYSA-N 227.254 2.233 0 40 BEAB in-vitro O=c1[nH]cc(C(F)(F)F)cc1-c1ccncc1 47213818 WLALPOQBSBJDBQ-UHFFFAOYSA-N 240.184 2.456 0 40 BEAB Cc1ccc(C(=O)OCc2nc(C)c(C)o2)cn1 48309106 PGQBTJCQOYHFKA-UHFFFAOYSA-N 246.266 2.352 0 40 BEAB CCCCOC(=O)CSc1nnc(C)s1 48403803 PJMJPQJRIUNSJR-UHFFFAOYSA-N 246.357 2.282 0 40 BEAB CCCC(C)(C)NC(=O)c1cc(C)n[nH]1 50807966 WJDFMSJRIZZTAL-UHFFFAOYSA-N 209.293 2.027 0 40 BEAB CC1(c2ccc(Br)cn2)OCCO1 51951677 WVUQSFOCAUQIMM-UHFFFAOYSA-N 244.088 2.064 0 40 BEAB O=C(O)[C@@H]1CCN(CCCc2ccccc2)C1 62133733 GLNYANBVNHNEMU-CYBMUJFWSA-N 233.311 2.026 0 40 BEAB CCN1CCCC[C@H]1c1cccnc1O 72212323 VGGLQOOUGCRAMY-NSHDSACASA-N 206.289 2.334 0 40 BEAB CCCNc1ncccc1[C@@H]1CCCN1 72213116 XCHRFGZPYMEFFY-NSHDSACASA-N 205.305 2.328 0 40 BEAB Cc1cc([C@@H]2CCCN2CC(C)C)c[nH]c1=O 72217961 BHGSUFHXYHMOHZ-ZDUSSCGKSA-N 234.343 2.476 0 40 BEAB Cc1cc([C@H]2CCCN2C)cnc1N(C)C 72218606 UNPPCLUUMQTOMA-GFCCVEGCSA-N 219.332 2.223 0 40 BEAB C[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 74707317 AHNXAAZQEXAZBZ-LBPRGKRZSA-N 246.354 2.206 0 40 BEAB CC(C)[C@H](CCO)NC(=O)CC1CCCCC1 84410222 HXNYYTFXUJHQOD-ZDUSSCGKSA-N 241.375 2.480 0 40 BEAB COc1cccc([C@H](C)N[C@H](CO)C(C)C)c1 92392532 RBWGJACSZXORSM-SMDDNHRTSA-N 237.343 2.363 0 40 BEAB N[C@@H](CCc1cc(Cl)ccc1Cl)C(=O)O 95749216 RJEDYAFWGILHRM-VIFPVBQESA-N 248.109 2.338 0 40 BEAB O=C1Nc2c(Br)cccc2C1(F)F 95774152 IXGUJVXGMIRFIW-UHFFFAOYSA-N 248.026 2.493 0 40 BEAB CN1CCC(NC2(c3cccc(F)c3)CC2)CC1 95991431 RVGSFLWDKCWROQ-UHFFFAOYSA-N 248.345 2.499 0 40 BEAB Cc1cccc(C(=O)N2CC[C@]3(CCCO3)C2)c1 96051020 KOSIRTGJGCMGDX-OAHLLOKOSA-N 245.322 2.390 0 40 BEAB CC[C@@H]1CCCCCN1CCCS(C)(=O)=O 96417468 IVHRVRWSAMVBAN-GFCCVEGCSA-N 247.404 2.076 0 40 BEAB COC(=O)[C@H](NCc1ccc(C)o1)C(C)(C)C 97162277 HLKYVSSAGAORPD-NSHDSACASA-N 239.315 2.265 0 40 BEAB CN1[C@H]2CC[C@H]1CC(Oc1ccccc1N)C2 110766797 PTJMOVQHNOPZQW-QWRGUYRKSA-N 232.327 2.273 0 40 BEAB COc1cc(N2C[C@H]3CCCC[C@@H]3C2)ncn1 133490937 UXBJTBMXYCNBTF-GHMZBOCLSA-N 233.315 2.112 0 40 BEAB CN1C[C@H](c2ccccc2C(F)(F)F)[C@@H](N)C1 219742455 WKPYUKGDCNTYKE-KOLCDFICSA-N 244.260 2.062 0 40 BEAB C[C@H]1NC[C@H]2C[C@H]1CN(Cc1ccccc1)C2 242543294 JVNQIVFIOMMCFT-YUELXQCFSA-N 230.355 2.116 0 40 BEAB OC[C@]1(c2ccccc2)CCN2CCCC[C@H]21 245240296 QKDCTUBAQIWOAZ-GJZGRUSLSA-N 231.339 2.175 0 40 BEAB Cc1cccc(NC(=O)N2CC(CN(C)C)C2)c1 585141122 PPJWZJYFEDAOKE-UHFFFAOYSA-N 247.342 2.020 0 40 BEAB O=C(O)CCCC(=O)c1cc(F)ccc1F 2378723 HSCTUQMLJQEKQE-UHFFFAOYSA-N 228.194 2.402 0 40 BEAB C[C@H](O)c1ccc(Oc2cnccn2)cc1 4108381 VCRGSWFVKGVGHD-VIFPVBQESA-N 216.240 2.322 0 40 BEAB O=C(Nc1ccc2cn[nH]c2c1)c1cccnc1 4864743 WRVIIUWTHZAHAV-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCN1CCN(c2nc3ccccc3s2)CC1 4929862 RRQBCJDYYQAJST-UHFFFAOYSA-N 247.367 2.438 0 40 BEAB Cc1ccsc1CNn1c(C)n[nH]c1=S 5982103 MDPHRHUHWFXMHH-UHFFFAOYSA-N 240.357 2.363 0 40 BEAB COc1cc(CCc2ccccc2)oc(=O)c1 5999200 OVXOWIKMOIVICB-UHFFFAOYSA-N 230.263 2.434 0 40 BEAB biogenic,in-vitro COCCCNC(=O)Nc1cccc(Cl)c1 6640727 CBFUBRJEPCPAAS-UHFFFAOYSA-N 242.706 2.498 0 40 BEAB C[C@H](CC(=O)Nc1ccc(F)cc1)n1cncn1 7616323 IQUABQRSEXBJMH-SECBINFHSA-N 248.261 2.007 0 40 BEAB Cc1nc(NC(=O)C2CCC2)sc1C 7685745 RLVQCDGERMIMFS-UHFFFAOYSA-N 210.302 2.499 0 40 BEAB Nc1on[n+](-c2ccccc2)c1-c1ccccc1 12433193 LUJPAXNHDYAUNM-UHFFFAOYSA-N 238.270 2.201 0 40 BEAB CC(=O)OCc1cc2cc(O)ccc2nc1C 13281639 QUIGVSUBYTWXDC-UHFFFAOYSA-N 231.251 2.312 0 40 BEAB O=C1N=C(O)/C(=C/C=C/c2ccccc2)N1 16713084 CCRLFSLWIUEERQ-DODKFZKMSA-N 214.224 2.263 0 40 BEAB O=C(O)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 20357908 NRHVNQHBVQJPNQ-SNVBAGLBSA-N 239.702 2.247 0 40 BEAB O=C(Nc1ccon1)C1(c2ccc(F)cc2)CC1 21695383 JKUVEPOJOFOHCT-UHFFFAOYSA-N 246.241 2.484 0 40 BEAB C[C@H]1CCCCN1CCC1CCNCC1 26513929 KLTZAMHUSRKUGQ-LBPRGKRZSA-N 210.365 2.251 0 40 BEAB in-vitro CCC[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 32668079 MKKREYTWDYEBFD-DCAQKATOSA-N 213.321 2.058 0 40 BEAB COC[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc12 32903712 RFFCRQFHNGTBSM-SECBINFHSA-N 246.310 2.241 0 40 BEAB CCONC(=O)c1cc(SC)ccc1C 36393327 LZIDCMNSUYUOIS-UHFFFAOYSA-N 225.313 2.398 0 40 BEAB CCOC(=O)c1coc2c1C(=O)C[C@H](C)C2 38701093 VXHJLQZUUMVPPY-ZETCQYMHSA-N 222.240 2.221 0 40 BEAB Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 40161039 DFVYSXFNAAXTPS-ADEWGFFLSA-N 247.342 2.340 0 40 BEAB O=C(NC[C@H]1CCCO1)C1(c2ccccc2)CC1 41510074 AEVOMOCKRBVNBD-CYBMUJFWSA-N 245.322 2.013 0 40 BEAB CC[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 41880939 NXJBATIFKJUKOS-SNVBAGLBSA-N 222.288 2.245 0 40 BEAB Cc1nc(CC(=O)N2CCC[C@H](C)C2)cs1 48324697 ADMDUHQQBUKQCO-VIFPVBQESA-N 238.356 2.253 0 40 BEAB CCOC(=O)C(F)(F)c1ccccc1F 52887823 VTTGEZSPJKXKAF-UHFFFAOYSA-N 218.174 2.481 0 40 BEAB in-vitro O=C(O)c1nnc(Cc2ccccc2Cl)o1 57529491 VUMXMXHVXVGHTG-UHFFFAOYSA-N 238.630 2.012 0 40 BEAB Cc1nc(COc2ccc(F)cc2F)no1 65576534 QKCFBMGDMHOHLZ-UHFFFAOYSA-N 226.182 2.235 0 40 BEAB C[C@H](NCc1ccccn1)[C@H](C)n1cccn1 69349733 MDHZUNCTCSGVSG-RYUDHWBXSA-N 230.315 2.017 0 40 BEAB O[C@H]1CCc2cc(Br)ccc2C1 70154918 GFAONWSTEKWMAV-JTQLQIEISA-N 227.101 2.299 0 40 BEAB in-vitro CCCCCC[C@@H](C)NC(=O)NOC 71802048 JECKRYPSFMOPQR-SECBINFHSA-N 202.298 2.206 0 40 BEAB FC1(F)Oc2ccc([C@@H]3CCCN3)cc2O1 72202424 AOESAXVPUKOBRA-QMMMGPOBSA-N 227.210 2.433 0 40 BEAB Clc1ccc(Cl)c(CN[C@@H]2CCNC2)c1 72203638 GEKKQTZSFZPESS-SNVBAGLBSA-N 245.153 2.445 0 40 BEAB NCC1(c2cc(C3CC3)on2)CCCC1 72220685 ZKRNMKNZKYRYMP-UHFFFAOYSA-N 206.289 2.323 0 40 BEAB C[C@@H]1CSCCN1C(=O)Nc1nccs1 72291887 HDEOPRDJFDDFJH-SSDOTTSWSA-N 243.357 2.112 0 40 BEAB CCc1ccc(NC(=O)Cc2ccon2)cc1 72292851 NXJARWVRJGWOQS-UHFFFAOYSA-N 230.267 2.418 0 40 BEAB CCc1cccc2ccc(C(=O)O)nc12 75601876 XFOPGCOCCTWKAM-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB N[C@@H]1COc2ccc(C(F)(F)F)cc21 75882314 IWDYFMAZOKVBNW-SSDOTTSWSA-N 203.163 2.098 0 40 BEAB COc1ccc([C@@H](NN)c2ccccc2)cc1 82295557 OCJAIGYCECSRGL-AWEZNQCLSA-N 228.295 2.248 0 40 BEAB NCc1ncc(Cl)cc1C(F)(F)F 83428642 UOGQGFLDIWWRKZ-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB CCc1nc(CN(C)[C@H](C)c2cccnc2)no1 89289993 VRCQVPPJWHEUCA-SNVBAGLBSA-N 246.314 2.220 0 40 BEAB O=c1[nH]c(C2CCCCC2)nc2cnccc12 95095844 KMGOAKOVAFTXDF-UHFFFAOYSA-N 229.283 2.366 0 40 BEAB CN(CC(C)(C)O)c1nccc2occc12 95449396 YXQAMHNLCMTUAJ-UHFFFAOYSA-N 220.272 2.035 0 40 BEAB CCOCCOc1ccc(OC)c(F)c1 96007382 SYOOHLNHJXWEHS-UHFFFAOYSA-N 214.236 2.250 0 40 BEAB CCc1ccc(NC(=O)[C@H](C)O)cc1CC 96492568 CEBLXWWUQBZLKW-VIFPVBQESA-N 221.300 2.131 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1F 96510178 NNYVFCXRNGPEAP-MWLCHTKSSA-N 228.288 2.116 0 40 BEAB CCOc1c(Cl)csc1C(=O)O 96510949 ZWTWFEFMKRBIET-UHFFFAOYSA-N 206.650 2.498 0 40 BEAB CC(C)N(C)C(=O)Nc1ccncc1F 97135960 BYDBGNBNQLIKJR-UHFFFAOYSA-N 211.240 2.093 0 40 BEAB Cc1cc(O)c2c(O)n(-c3ccccc3)nc2n1 100166310 VWGDCQHLEMVONU-UHFFFAOYSA-N 241.250 2.140 0 40 BEAB CC1=NN(C(=S)c2ccccc2)[C@@](C)(O)[C@H]1C 150199492 INXJHTGIABOSIG-ZANVPECISA-N 248.351 2.398 0 40 BEAB O=C(c1ccc2c(c1)OCO2)C(F)(F)Cl 199527506 FHRJWWDBIWXBIF-UHFFFAOYSA-N 234.585 2.430 0 40 BEAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2C)S1 222556039 OJCJSJJNJMHORN-QXEWZRGKSA-N 233.340 2.318 0 40 BEAB C[C@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1O 253396657 BBHRTIFJOOBMSJ-TVQRCGJNSA-N 241.281 2.168 0 40 BEAB Cc1cnn(C)c1NCc1cccc(F)c1 256054737 XOKZIUQGOZCVJD-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1c[nH]c([C@@H]2CCN(c3ccncc3)C2)n1 257219269 DGFRPGWTXMNWCF-LLVKDONJSA-N 228.299 2.107 0 40 BEAB Cc1nccc([C@@H]2CCCN2C(=O)C2CCC2)n1 257281362 OOVGDSMFDWPWEY-ZDUSSCGKSA-N 245.326 2.249 0 40 BEAB CN(Cc1ccc[nH]1)C(=O)[C@]1(C)CC1(F)F 335559387 YGFMEFGSPFLSIT-JTQLQIEISA-N 228.242 2.018 0 40 BEAB CC(=O)OCC(=O)c1ccc(Cl)c(F)c1 382711434 YYLRXBPJNICVEM-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB O=C([C@H]1CC=CCC1)N1CC[C@@H](OCC2CC2)C1 390832019 WQQFHYYRBKICTJ-UONOGXRCSA-N 249.354 2.370 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 536948751 QCHGODCFACBXAX-IVZWLZJFSA-N 208.644 2.310 0 40 BEAB c1ncc(-c2nc3c(s2)CCCC3)[nH]1 649575039 XINBPKMRHQQXSS-UHFFFAOYSA-N 205.286 2.412 0 40 BEAB CCC1(O)CCN(CC2CC(C)C2)CC1 929724050 XBTITORFCQWUEQ-UHFFFAOYSA-N 211.349 2.269 0 40 BEAB OC[C@@H]1CN(Cc2ccccc2)CC12CCC2 1535642679 XLVOOPVDGINFQF-AWEZNQCLSA-N 231.339 2.281 0 40 BEAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)O)cc1 100898 QQEJGGHVHJKUSE-JTQLQIEISA-N 235.283 2.434 0 40 BEAB CCOc1ccccc1C(=O)NCC(C)C 484518 RGACJHRMIOZCEY-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB COc1ccc2c3c(cccc13)OC2=O 519704 DDZBPKVTRVAZSF-UHFFFAOYSA-N 200.193 2.381 0 40 BEAB biogenic Cc1cc(C)n(COc2ccc(C(=O)O)cc2)n1 2535495 LUQBUDGGHWXGQE-UHFFFAOYSA-N 246.266 2.235 0 40 BEAB CCOC(=O)C(C)(C)[C@H](O)c1ccccc1 5324994 OJOQOQPPMWKWGZ-LLVKDONJSA-N 222.284 2.309 0 40 BEAB Cc1cccc([C@@H](O)c2cccnc2)c1O 5579649 ZYJUNHWGBALBJJ-ZDUSSCGKSA-N 215.252 2.177 0 40 BEAB O=C1C[C@H](c2cccs2)Cc2[nH]ncc21 8021390 NTZFXLRXWJDMCS-SSDOTTSWSA-N 218.281 2.384 0 40 BEAB Cn1cc(CNC2CCCCCC2)cn1 11920307 FSZXQPRVQRYXFF-UHFFFAOYSA-N 207.321 2.233 0 40 BEAB CCc1noc(C)c1-c1nn2c(C)nnc2s1 12413123 WSFUXNZSGORHLX-UHFFFAOYSA-N 249.299 2.020 0 40 BEAB S=c1[nH]ncn1CCc1cccs1 12505079 XIQUJXDLCFJLFS-UHFFFAOYSA-N 211.315 2.245 0 40 BEAB in-vitro Cc1cccc(CC(=O)n2cccn2)c1 13320066 WOAUQDOETKHINB-UHFFFAOYSA-N 200.241 2.074 0 40 BEAB Fc1ccc(OC[C@@H]2CCCNC2)c(F)c1 14631328 NSHADKHLTYCVGC-SECBINFHSA-N 227.254 2.343 0 40 BEAB CC/[S@](C)=N\S(=O)(=O)c1ccc(C)cc1 15973648 USNXUFABGLAYRU-CQSZACIVSA-N 245.369 2.135 0 40 BEAB CCCC(=O)Nc1ccc2nsnc2c1 17083475 FUWWSFHVLQCMJB-UHFFFAOYSA-N 221.285 2.430 0 40 BEAB O=C(CNC1CC1)Nc1ccccc1Cl 19387656 FIVMUTAOXGDWJO-UHFFFAOYSA-N 224.691 2.031 0 40 BEAB Cc1nc2ccc(F)cc2n1C1CCNCC1 20445449 ZALUOZCLQMTPCZ-UHFFFAOYSA-N 233.290 2.408 0 40 BEAB Cc1csc(CNC(=O)c2ccccc2O)n1 21482240 AJDMGBGEAFWPDZ-UHFFFAOYSA-N 248.307 2.087 0 40 BEAB CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 32905634 VGTZOVPZYUVKOL-KGLIPLIRSA-N 245.322 2.311 0 40 BEAB Cc1cc2nccc(-c3cccc(CN)c3)n2n1 34928924 OTJAQLOGFGPJCT-UHFFFAOYSA-N 238.294 2.163 0 40 BEAB in-vitro Cc1ccc(CNc2nc(C)n[nH]2)cc1 35684087 UMLKUDHRUKEFGF-UHFFFAOYSA-N 202.261 2.034 0 40 BEAB COc1ccc([C@H](CN)N2CCC[C@@H](C)C2)cc1 38827599 JQNIKZXOVAYJTM-DOMZBBRYSA-N 248.370 2.427 0 40 BEAB CC(=O)OCC(=O)c1cccc(Cl)c1 39414531 ZCDHPLQWTJGVLI-UHFFFAOYSA-N 212.632 2.086 0 40 BEAB CCCn1ccnc1S[C@@H](CC)C(=O)OC 40479374 ZGJVGKJVGNFVSI-VIFPVBQESA-N 242.344 2.337 0 40 BEAB CC(C)(C)CCNC(=O)CC[C@@H]1CCCO1 40514200 SDTIKJZHIBJWIN-NSHDSACASA-N 227.348 2.498 0 40 BEAB CCCOC(=O)c1ccc(C2OCCO2)s1 43210339 OLWARJZHYNFAIB-UHFFFAOYSA-N 242.296 2.360 0 40 BEAB C[C@H](O)CN(C)c1nc2ccccc2s1 49776508 QJPBEAZYMPLOBM-QMMMGPOBSA-N 222.313 2.113 0 40 BEAB CN(C(=O)C1CCOCC1)C1CCCCC1 58298537 LGMBGZXFTIORLD-UHFFFAOYSA-N 225.332 2.204 0 40 BEAB CC(C)(C)C(=O)N1CC(Oc2ccccc2)C1 58324878 UJWXUUCUXRSZSM-UHFFFAOYSA-N 233.311 2.322 0 40 BEAB CCN(CC)C(=O)c1cc(C)ccc1OC 61192593 LMZCSYFMGGCDII-UHFFFAOYSA-N 221.300 2.486 0 40 BEAB O=C(c1ccc(-n2cccc2)nc1)N1CCCC1 64552797 OGKZOIHTAIFNDZ-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB Nc1nc(SCc2ccc3c(c2)CCC3)n[nH]1 70499059 NMSOXNNZEXUYGT-UHFFFAOYSA-N 246.339 2.168 0 40 BEAB C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)C1CC1 71798776 PWPOYPFSTAPMAS-RKDXNWHRSA-N 210.321 2.225 0 40 BEAB Cc1ccc2[nH]c3c(c2c1)CC[C@@H](N)C3 74213419 QVIZNYPPXICZFI-SECBINFHSA-N 200.285 2.292 0 40 BEAB Cc1nnc(-c2cccc(NC(=O)C3CC3)c2)o1 74827791 OOYQCXSCIHZRGX-UHFFFAOYSA-N 243.266 2.394 0 40 BEAB CCCCN1CCCC[C@H]1COC(C)=O 84744474 MIFCWWMWPXVPGE-LBPRGKRZSA-N 213.321 2.204 0 40 BEAB COC(=O)[C@@](C)(c1ccccc1)N1CCCC1 85393480 URPRBXXQUWMKRX-CQSZACIVSA-N 233.311 2.171 0 40 BEAB CC(C)c1ccc([C@H]2OC(=O)C[C@@H]2C(=O)O)cc1 85394529 CTTGIKLEURGRPQ-WCQYABFASA-N 248.278 2.499 0 40 BEAB CC[C@H](C)NC(=O)CCN[C@@H](C)C(C)(C)C 95421005 GMFPTUIDBJDPIO-QWRGUYRKSA-N 228.380 2.315 0 40 BEAB CC(C)Oc1ccc(Cc2nnc(S)[nH]2)cc1 96295123 KIAINZVOXJJYGO-UHFFFAOYSA-N 249.339 2.471 0 40 BEAB O=C1NCCC[C@@H]1Cc1ccccc1Cl 96300654 XKDPJVJYJGYBLU-SNVBAGLBSA-N 223.703 2.409 0 40 BEAB in-vitro COCCOC(=O)CC1CCCCC1 96995810 XHNBIRHWCHKATK-UHFFFAOYSA-N 200.278 2.146 0 40 BEAB Cc1cccc(C)c1C(=O)NCCCCC(=O)O 97035973 YOYWBHUYSZYXST-UHFFFAOYSA-N 249.310 2.288 0 40 BEAB CC(C)(C)N(C=O)[C@H]1C[C@@H]2CCCC[C@@H]2CN1 98073409 OYSOEADLBFGGKM-XQQFMLRXSA-N 238.375 2.369 0 40 BEAB Cc1noc(-c2nc(-c3ccccc3C)no2)n1 98212314 WJSWWYQNJQBKOZ-UHFFFAOYSA-N 242.238 2.403 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@@](O)(CC(=O)O)C2 100098270 HBWSRVTVYLQCPC-ZHAHWJHGSA-N 212.289 2.038 0 40 BEAB COCCn1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)n1 110709668 YNCIHMZQODVMCV-SRVKXCTJSA-N 235.331 2.130 0 40 BEAB COc1cc(F)c(Cl)c(C(=O)O)c1 215236803 QKKYRBMPWBRSEQ-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB COc1ccc(C)cc1N(C)CCCC(=O)O 225001296 VOWRQZKNJHXHQT-UHFFFAOYSA-N 237.299 2.305 0 40 BEAB CCOc1cccc(Cl)c1CC(=O)O 238300629 JDSFJEKOHGHUCV-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB CC(C)n1cncc1CN1CC2(CC(F)C2)C1 644904190 NMCJHKGLTMUEJV-UHFFFAOYSA-N 237.322 2.398 0 40 BEAB COc1cnc2cccc(C)c2c1C(=O)O 685937129 LFIZTVDTEOGAPO-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB COC(OC)c1cc(Cl)ccc1N 1083812840 FLUMMNKLQNZFHO-UHFFFAOYSA-N 201.653 2.214 0 40 BEAB CCOC(=O)c1cc2ccccc2c(=O)s1 79323 WYIRXVPPOUHRAR-UHFFFAOYSA-N 234.276 2.438 0 40 BEAB O=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1 344894 CYEKBFDCMORSFM-UHFFFAOYSA-N 232.191 2.163 0 40 BEAB CCCOC(=O)c1ccc(-n2cccn2)cc1 1807333 UFEZQMYLRXOJMK-UHFFFAOYSA-N 230.267 2.439 0 40 BEAB Brc1ccc(CC2OCCO2)cc1 2529048 ACKDBUNMLXWBHV-UHFFFAOYSA-N 243.100 2.365 0 40 BEAB Nc1cccnc1N1CCc2ccccc2C1 13488065 PDWIXUPKLCRNMD-UHFFFAOYSA-N 225.295 2.227 0 40 BEAB O=C(NCc1ccsc1)c1ccco1 13698116 ARRGNHDMJDZLSW-UHFFFAOYSA-N 207.254 2.271 0 40 BEAB C[C@@H](NC(=O)NC1CCCCC1)[C@H]1CCCO1 16972444 JBKLNOYKBRTWAA-ZYHUDNBSSA-N 240.347 2.186 0 40 BEAB O=C(O)CCCNCc1ccc(F)cc1Cl 21951548 SPAAQZCDJCPMDE-UHFFFAOYSA-N 245.681 2.434 0 40 BEAB in-vitro O=C(c1cccnc1Cl)N1C[C@H]2CC[C@@H]1C2 21953184 JUHZQALPQSXQCG-DTWKUNHWSA-N 236.702 2.360 0 40 BEAB O=C(Nc1ncccc1O)c1ccc(F)cc1 32148226 JNLNWEFWRHWIKO-UHFFFAOYSA-N 232.214 2.179 0 40 BEAB CN(Cc1cccc(F)c1)C(=O)C1CC1 33000192 AFXXPBNTKULXSX-UHFFFAOYSA-N 207.248 2.194 0 40 BEAB CC[C@H](NCc1nnc2ccccn12)C(C)C 37235837 LISPSSXCEKJFOX-NSHDSACASA-N 232.331 2.254 0 40 BEAB COc1cc(C=O)ccc1OCC(F)F 37756013 JDMUOHKJYFLCRV-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB CNC[C@H](OC(C)C)c1ccccc1OC 50483694 NIGQRCNLDIYZPL-ZDUSSCGKSA-N 223.316 2.381 0 40 BEAB CCc1nc(-c2cnccn2)sc1C 60511050 OEKVWFGPCGSKIE-UHFFFAOYSA-N 205.286 2.471 0 40 BEAB COC(=O)c1ccc([C@@H]2CCCN2)cc1F 72202326 DGTTXRDABOFWCR-NSHDSACASA-N 223.247 2.037 0 40 BEAB CNc1ncc([C@H]2CCCCN2)cc1C 72218993 ZERFZCSSQQKWBJ-LLVKDONJSA-N 205.305 2.246 0 40 BEAB c1cc(C[C@H]2CCCNC2)nc(N2CCCC2)c1 72386383 NWUAIPNBUQTQEM-CYBMUJFWSA-N 245.370 2.224 0 40 BEAB CCCNC(=O)CCCC(=O)OC1(C)CCC1 75109489 RNYRYINGZGVUAJ-UHFFFAOYSA-N 241.331 2.169 0 40 BEAB CCc1c(C)nc(Cl)c(C(=O)O)c1C(=O)O 78549795 LPTVFHGXZFZSRS-UHFFFAOYSA-N 243.646 2.002 0 40 BEAB CC[C@@H](c1ccccc1)N(C(=O)CN)C(C)C 79421169 NRGVNVWOAJDIMH-ZDUSSCGKSA-N 234.343 2.333 0 40 BEAB CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)O 82164566 MAGZMMZGWAGCSJ-UHFFFAOYSA-N 245.319 2.402 0 40 BEAB Cc1cc(C)cc(C(=O)N(C)C[C@@H](O)C2CC2)c1 84083516 ZIYSKIOVSSUGMA-CQSZACIVSA-N 247.338 2.146 0 40 BEAB c1cc(-c2nc(CC3CCNCC3)no2)cs1 96511458 BJHVMMQDSDIEEF-UHFFFAOYSA-N 249.339 2.340 0 40 BEAB CNCCN(Cc1ccco1)C1CCCC1 96523938 KLONPGLINUNHJV-UHFFFAOYSA-N 222.332 2.244 0 40 BEAB COC(=O)CCC(C)(C)c1ccc(N)cc1 96527977 OMJNNDIZURMZBX-UHFFFAOYSA-N 221.300 2.500 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCCCNC1=O 192390551 BKHRNHPVSLCPIK-UTUOFQBUSA-N 238.375 2.069 0 40 BEAB COC(=O)c1cc(F)ccc1O[C@H](C)F 199823666 FBEAUHRIFCKVCG-ZCFIWIBFSA-N 216.183 2.307 0 40 BEAB N[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1F 218883784 KSZVCASZTHSWLG-KOLCDFICSA-N 212.243 2.257 0 40 BEAB CCn1c(Cc2ccco2)ccc1C(=O)O 226031174 OIZUEAAZAKKSJB-UHFFFAOYSA-N 219.240 2.390 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](CO)[C@@H]12 242688459 VQLQJLNARBICNV-VVULQXIFSA-N 238.249 2.218 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2NCCC[C@H]21 257962700 DVZCLSHSZDQPBD-OUAUKWLOSA-N 240.347 2.042 0 40 BEAB C[C@H](N)c1ncc(F)cc1Br 258838190 VSNNQOZQHGWCKR-BYPYZUCNSA-N 219.057 2.003 0 40 BEAB COC(OC)c1cc(N)ccc1Cl 1083812573 UGUAOPYKTWARJV-UHFFFAOYSA-N 201.653 2.214 0 40 BEAB O=c1c(N2CCCC2)nccn1C1CCCCC1 2298028250 ZPYNEEURIWHZKA-UHFFFAOYSA-N 247.342 2.349 0 40 BEAB COCc1ccc(C(=O)N2CCCCC2)cc1 21773 DGVSLYHZHXYNNQ-UHFFFAOYSA-N 233.311 2.459 0 40 BEAB O=C(c1cnsn1)N1CCCc2ccccc21 151273 PLNMASRYPBHPBE-UHFFFAOYSA-N 245.307 2.131 0 40 BEAB Nc1cc(N)c2c(c1)C(=O)c1ccccc1-2 1679730 WMNBHWWCHOVGHV-UHFFFAOYSA-N 210.236 2.062 0 40 BEAB CC1(C)COC(=O)[C@@H]1OCc1ccccc1 2570776 VHSFUNYRPRTDAA-NSHDSACASA-N 220.268 2.155 0 40 BEAB O=C(O)CCC(=O)c1cc(Cl)ccc1O 5567788 YBSVOTYKOZVOIJ-UHFFFAOYSA-N 228.631 2.093 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 5576691 ANBDXPWKDSKYHR-KCJUWKMLSA-N 233.267 2.068 0 40 BEAB Cc1ccc(C(=O)NCCCn2ccnc2)cc1 5588439 UZMLPMPDXJAKOJ-UHFFFAOYSA-N 243.310 2.012 0 40 BEAB CN1CCC(OC(=O)NC2CCCCC2)CC1 5675015 BCNCOVNYEFONCT-UHFFFAOYSA-N 240.347 2.140 0 40 BEAB CC(C)c1ccc(C(=O)Nc2nc[nH]n2)cc1 5686018 RKLZGFXLFIHWIK-UHFFFAOYSA-N 230.271 2.180 0 40 BEAB CC1(C)OC(=O)N(c2ccccc2)C1=N 5727636 ZGJZGEQQONOLPF-UHFFFAOYSA-N 204.229 2.399 0 40 BEAB CC(C)c1nnc([C@@H](N)Cc2ccccc2)o1 11586922 LYKHKRDAKKDAKY-NSHDSACASA-N 231.299 2.436 0 40 BEAB O=C(NC1CCCC1)c1cc(Cl)ccn1 12979124 BIBVVSDTQUGKGV-UHFFFAOYSA-N 224.691 2.407 0 40 BEAB CCCNC(=S)N1CCc2ccccc2C1 13839369 QGWGHCFLOFSSOR-UHFFFAOYSA-N 234.368 2.329 0 40 BEAB O=C(NC(=S)Nc1ccccc1F)C1CC1 13988642 QJZTXQJKZRZGTK-UHFFFAOYSA-N 238.287 2.049 0 40 BEAB COC(=O)/C=C(/C)Nc1ccc(C(C)=O)cc1 16954402 VOZGYNAKPWSDJF-HJWRWDBZSA-N 233.267 2.378 0 40 BEAB Cc1cccc(OC2CCNCC2)c1C 19436798 SWOAHKOFKRMKBP-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB in-vitro CC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@@H]1c1ccccc1 22173167 PYLHKIJKHJTIMN-VHDGCEQUSA-N 246.306 2.089 0 40 BEAB Cc1ccc(CNC(=O)c2ccc(F)cc2)n1C 23574445 DKUCPCOPVZZQQU-UHFFFAOYSA-N 246.285 2.403 0 40 BEAB Cc1occc1C(=O)NOCc1ccccc1 25038504 REPKIWTWTJJHRI-UHFFFAOYSA-N 231.251 2.450 0 40 BEAB CCOC(=O)CC(=O)C1(c2ccccc2)CC1 35050400 WQANAOXITXJUTO-UHFFFAOYSA-N 232.279 2.241 0 40 BEAB O=c1cc[nH]c2c(OC(F)F)cccc12 35731113 SRFOMGCGOPIZPN-UHFFFAOYSA-N 211.167 2.130 0 40 BEAB O=C(NC1CCCC1)c1cccc2cn[nH]c12 39553411 DFHOEAIDLNFGRY-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB O[C@H]1CCCN(Cc2nc3ccccc3s2)C1 40460796 UZLUUALBTKRABY-JTQLQIEISA-N 248.351 2.253 0 40 BEAB N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 41028827 DZNJNOBGGIJDJQ-NSHDSACASA-N 242.725 2.402 0 40 BEAB in-vitro Brc1csc(-c2cncnc2)n1 44121753 HABLTOXTGTUITL-UHFFFAOYSA-N 242.101 2.363 0 40 BEAB Cc1nc(C)c(C(=O)NCc2cccnc2)s1 45051361 YOSPGQGKFQJPQQ-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CCC(=O)NCCCN(CC)c1ccccc1 53639431 RJYFTRIHLNBCSJ-UHFFFAOYSA-N 234.343 2.429 0 40 BEAB O=C(CCNc1ccccc1)NCc1ccco1 57992392 XHCYCTIJIXXYMV-UHFFFAOYSA-N 244.294 2.398 0 40 BEAB CNc1ncc(CN[C@H](C)c2ccccc2)cn1 62717434 HKOSUBSHGFVTOQ-LLVKDONJSA-N 242.326 2.369 0 40 BEAB CC(C)CNC(=O)[C@@H](C)N1CCCCCC1 69454527 FZDLHAKSLPCLBS-GFCCVEGCSA-N 226.364 2.023 0 40 BEAB COC(=O)Cc1ccccc1OC(=O)C=C(C)C 71920406 SWHGIJROXSVDKV-UHFFFAOYSA-N 248.278 2.274 0 40 BEAB C[C@H](CC(=O)N1CCN[C@@H](C)C1)CC(C)(C)C 71978898 MAIZCWMVHAYQEK-NEPJUHHUSA-N 240.391 2.269 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@H](C)O 72224518 XVIHAYGZLGXENK-JTQLQIEISA-N 206.289 2.044 0 40 BEAB CC(C)Nc1ccc(C[C@H]2CCNC2)cn1 72388950 BHPBEWLVXXKBRP-GFCCVEGCSA-N 219.332 2.054 0 40 BEAB O=C(O)c1nccn1Cc1cccc(Cl)c1 82170038 CPZFDIMLMSZWGK-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CC(=O)c1c(Br)nc2ccccn12 82328926 HNLRGZOZGPMYOA-UHFFFAOYSA-N 239.072 2.299 0 40 BEAB NCCCNc1nccc2c(F)cccc12 82765941 BOOVOHACIVDHGU-UHFFFAOYSA-N 219.263 2.135 0 40 BEAB CC1=N/C(=C/c2cc(F)ccc2F)C(=O)O1 83329552 WXPBRLXDFVOOBC-BJMVGYQFSA-N 223.178 2.281 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H](N)C1(C)C 84237398 LYPUODUBNLFENM-SECBINFHSA-N 228.336 2.123 0 40 BEAB c1ccc2c(c1)NCCC1(CCNCC1)O2 84309877 XCADFHMVFADFDY-UHFFFAOYSA-N 218.300 2.003 0 40 BEAB CCN(Cc1ccccn1)Cc1cc(C)on1 89969317 LTNDJWWZAVMUPB-UHFFFAOYSA-N 231.299 2.400 0 40 BEAB Cn1cnc(Nc2cc(Cl)nc(Cl)n2)c1 91302205 AJJQPGJBXAHTJH-UHFFFAOYSA-N 244.085 2.261 0 40 BEAB CC(C)[C@@H](NC[C@]1(O)CCOC1)c1ccccc1 91405805 BDSOMIHMGCWCSD-HUUCEWRRSA-N 249.354 2.125 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCN[C@H]2C)cc1C 91496247 POKZXIDCWSUYOX-JSGCOSHPSA-N 246.354 2.174 0 40 BEAB Cc1ccc([C@@H](O)c2cccn2C)s1 95727696 HVBOLULSAHOMLH-NSHDSACASA-N 207.298 2.477 0 40 BEAB C[C@@H]1CCCCN1c1cc(C(=O)N(C)C)ccn1 96402663 LHBZKSHANXIDCP-LLVKDONJSA-N 247.342 2.162 0 40 BEAB CC[C@H](COc1ccccc1)N[C@H]1CCOC1 96477669 JYQVRWQRDMISPY-OLZOCXBDSA-N 235.327 2.223 0 40 BEAB CCN(CCO)C/C(C)=C/c1ccccc1 96489443 FVCKPJYMZHFAGA-ACCUITESSA-N 219.328 2.404 0 40 BEAB CC[C@](C)(CO)NC(=O)c1ccc(F)cc1C 97081764 PTYZNSLMXLHLHD-CYBMUJFWSA-N 239.290 2.025 0 40 BEAB CN1CC[C@@H](SC2=Nc3ccccc3C2)C1=O 97212600 ZIEQGAXNTTYICD-LLVKDONJSA-N 246.335 2.237 0 40 BEAB CCC[C@@H](C(=O)N(CC)CCO)c1ccccc1 98075358 AHZIYYIKLKEOIX-CQSZACIVSA-N 249.354 2.411 0 40 BEAB COc1ccc(C)cc1C(=O)C(F)F 158648531 IMZMOVCYSBFAJI-UHFFFAOYSA-N 200.184 2.451 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CN1CCC(O)CC1 191040253 DXDMRISQCGCOKA-OCCSQVGLSA-N 223.360 2.436 0 40 BEAB Cc1ccc(C(=O)NCC(F)(F)C(F)F)o1 195580127 FVUDLJIOLZKHLW-UHFFFAOYSA-N 239.168 2.218 0 40 BEAB O=C(O)Cc1nc(Cl)nc2cc(F)ccc12 199848237 OTJXBYIHMXTSNU-UHFFFAOYSA-N 240.621 2.049 0 40 BEAB CC(=O)N1CCC[C@H]1c1nc(C)cc(Cl)n1 205672676 YIVZMKJFPUCVEV-VIFPVBQESA-N 239.706 2.122 0 40 BEAB Cc1cn2c(/C=C/C(=O)O)c(Cl)nc2s1 256054075 UWBOTJXIPPYXTL-NSCUHMNNSA-N 242.687 2.455 0 40 BEAB COC(=O)c1ccc(Cc2c(C)noc2C)o1 526049378 SFHYGPFJHUREFB-UHFFFAOYSA-N 235.239 2.262 0 40 BEAB CC(C)C[C](NC(=O)OC(C)(C)C)C(=O)O 1560407594 VEIRIARCJOMYKW-UHFFFAOYSA-N 230.284 2.174 0 40 BEAB O=C(Nc1cccnc1)OCCc1ccccn1 67704 WMKJGZNEXCRUCW-UHFFFAOYSA-N 243.266 2.268 0 40 BEAB COP(=O)(OC)[C@H](O)c1ccccc1 1676177 OECCEFXMNQKERN-VIFPVBQESA-N 216.173 2.163 0 40 BEAB Nc1c(Cl)nc(Cl)nc1C(F)(F)F 1683943 ADJRDPPTOGKOHU-UHFFFAOYSA-N 231.992 2.384 0 40 BEAB CCCNc1nc(Cl)nc(NCCC)n1 2032780 WKFQDZJPQYALOP-UHFFFAOYSA-N 229.715 2.169 0 40 BEAB CC(C)(C)OC(=O)NC1CCC(CCN)CC1 2518239 SSZKBGFWNFAXNC-UHFFFAOYSA-N 242.363 2.419 0 40 BEAB Cc1cccc(CN2CCCC[C@H]2C(=O)O)c1 3755315 RMXUHTDULIZIDH-ZDUSSCGKSA-N 233.311 2.434 0 40 BEAB in-vitro c1ccc(CSc2ncnc3n[nH]nc23)cc1 4430675 SDFUWFAIEDBQCN-UHFFFAOYSA-N 243.295 2.040 0 40 BEAB CSC(=O)c1c(C)nn(-c2ccccc2)c1N 4745241 LIIZEQQAVNNLKE-UHFFFAOYSA-N 247.323 2.266 0 40 BEAB CC1(C)CNC(=S)N1C1CCCCC1 5741500 WRPCHHXAIWPICO-UHFFFAOYSA-N 212.362 2.288 0 40 BEAB CCNC(=O)c1c(C)nn(-c2ccccc2)c1C 6771593 OLZIWHJGYLGPEO-UHFFFAOYSA-N 243.310 2.239 0 40 BEAB Cc1cccc(Nc2ncc(C(=O)O)cn2)c1 8702917 OMTISKDMXCMMKN-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB CCCOc1ccc(C(=O)NCC)cc1OC 9973701 BAQHLJAWGDFDQS-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB Cn1c(=O)c(C=O)cc2ccc(Cl)cc21 11727988 CZBBHBZJQMHYEA-UHFFFAOYSA-N 221.643 2.004 0 40 BEAB Cc1ccc(N[C@@H]2CCCCNC2=O)cc1 12538015 YUVFGZMJRKFZBX-GFCCVEGCSA-N 218.300 2.076 0 40 BEAB O=C(NCCc1ccccc1F)c1ccoc1 13023103 BNIOWRXCIIJVBI-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB COc1ccc(CN2CCC(CCN)CC2)cc1 15423980 CKHQUELFHAPCRX-UHFFFAOYSA-N 248.370 2.256 0 40 BEAB O=C1NC(=O)/C(=C/C2CCCCC2)S1 19691438 OPEPAWMKWNADQN-VURMDHGXSA-N 211.286 2.434 0 40 BEAB Cc1cccc(NC(=O)CNC2CCCC2)c1 20037098 BJZONBOJIUDYHV-UHFFFAOYSA-N 232.327 2.466 0 40 BEAB COCCCN[C@@H](C)c1cccc(OC)c1 20142434 UUPAPDXVQJLLFQ-NSHDSACASA-N 223.316 2.382 0 40 BEAB NCc1ccnc(OC2CCCCC2)c1 20357691 ULGNIWUOIJPCIG-UHFFFAOYSA-N 206.289 2.252 0 40 BEAB in-vitro CCC(=O)Nc1ccc(Br)cc1N 20520940 JUFFYLHAKYDGAM-UHFFFAOYSA-N 243.104 2.380 0 40 BEAB C[C@@H](O)CNCc1ccc(C(C)(C)C)cc1 32014009 WNVDRJODWJWSPF-LLVKDONJSA-N 221.344 2.455 0 40 BEAB O=C(O)C[C@H]1CNc2ccccc2S1 32627193 WHXREQRBHITPQZ-ZETCQYMHSA-N 209.270 2.048 0 40 BEAB in-vitro CC1(c2ccc(F)cc2F)OCCO1 35882109 QCMWISPHRSKFQW-UHFFFAOYSA-N 200.184 2.184 0 40 BEAB CC(C)NC(=O)c1snnc1-c1ccccc1 36359372 VBAVEHZHDAYTBY-UHFFFAOYSA-N 247.323 2.343 0 40 BEAB CCOC(COC(=O)c1ccccc1)OCC 36377936 QFKKHAZEIWDXRZ-UHFFFAOYSA-N 238.283 2.243 0 40 BEAB Cc1nc([C@H](N)c2ccc(Cl)cc2)no1 36762210 ZSAXBGLRHFBPER-SECBINFHSA-N 223.663 2.080 0 40 BEAB in-vitro Fc1ccc(NCc2csnn2)cc1 36901929 WXLQVJPIVVQJMI-UHFFFAOYSA-N 209.249 2.289 0 40 BEAB Brc1nccn1[C@@H]1CCCCO1 38538293 YYBSLCMICUQPIA-ZETCQYMHSA-N 231.093 2.345 0 40 BEAB CCOCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 38716996 HGBNPVYLABIZDN-UHFFFAOYSA-N 245.282 2.052 0 40 BEAB COCC(=O)N[C@@H](c1cccs1)C(C)C 39985600 DTLNAYBRGYTKNZ-LLVKDONJSA-N 227.329 2.208 0 40 BEAB CCN(CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 40463443 SDDMTCRMHJWSHQ-JTQLQIEISA-N 245.326 2.326 0 40 BEAB COCCCNC(=O)Nc1c(C)cccc1C 40526405 VUSAGQOQXYEUTF-UHFFFAOYSA-N 236.315 2.461 0 40 BEAB CC(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 41194531 LVCWKYWVXUOHQZ-VXGBXAGGSA-N 225.332 2.203 0 40 BEAB CNCCC(=O)N1CCC[C@H]1c1ccccc1C 43605240 WUERIDNXEZRFCC-AWEZNQCLSA-N 246.354 2.268 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1 47843746 RYAKMQPZBGISAT-GHMZBOCLSA-N 240.347 2.138 0 40 BEAB in-vitro O=C(NCc1cccc(O)c1)N1CCCCCC1 57185347 XTUCVYVSTHOILH-UHFFFAOYSA-N 248.326 2.478 0 40 BEAB CCc1ccccc1NC(=O)N[C@H](C)COC 58282907 PQRVENRIFPBSBO-SNVBAGLBSA-N 236.315 2.405 0 40 BEAB CONC(=O)C1(c2cc(C)cc(C)c2)CCC1 58835213 PPJPTAAFMWXKDR-UHFFFAOYSA-N 233.311 2.403 0 40 BEAB CCCN(CC(F)F)C(=O)N[C@H]1C[C@@H]1C 71799471 JFYPROAWMPWVIG-YUMQZZPRSA-N 220.263 2.082 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1F 71899793 NPSFRUGKWZCSFS-KCJUWKMLSA-N 239.265 2.280 0 40 BEAB Brc1nnc(N2CCCCC2)s1 72137450 LRFWHDNXGNEGIW-UHFFFAOYSA-N 248.149 2.291 0 40 BEAB O=C(O)c1ccc2c(F)c(F)ccc2n1 72207300 QTIZLLQSMKIDQE-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB O=CN1CCCC[C@H]1c1ccc(=S)[nH]c1 72217033 IJDOIDWNNKPVRY-JTQLQIEISA-N 222.313 2.428 0 40 BEAB CCN(CC)c1cc(C)c(C(=O)OC)cn1 72223252 FSEHFEDOJGFAKH-UHFFFAOYSA-N 222.288 2.023 0 40 BEAB c1cc(C[C@@H]2CCNC2)c2cccnc2c1 72367583 FFRVQOSDKUWSSX-NSHDSACASA-N 212.296 2.387 0 40 BEAB O=C(O)[C@H]1CCN[C@@H](C2CCCCC2)C1 74148228 ODFLYTQSBJFZEJ-WDEREUQCSA-N 211.305 2.020 0 40 BEAB CC(C)[C@](C)(O)CNc1cccc(F)n1 75050853 CGGZNOTWVIIQHL-LLVKDONJSA-N 212.268 2.040 0 40 BEAB CC(C)C(=O)NC[C@H](C)Oc1ccc(F)cc1 80767628 VXIXTKMGXJOXBJ-JTQLQIEISA-N 239.290 2.365 0 40 BEAB CCOC[C@@H](Cc1ccc(F)cc1F)NC 84064344 APVMLSLSAWUGEI-LLVKDONJSA-N 229.270 2.132 0 40 BEAB CC[C@@H](CCO)NC(=O)[C@@H](CC)c1ccccc1 84733310 QPVWTYMPZPFXNL-KBPBESRZSA-N 249.354 2.457 0 40 BEAB COC(=O)C1(Oc2ccc(F)cc2F)CC1 85392371 HHKUICSCVWDHAD-UHFFFAOYSA-N 228.194 2.049 0 40 BEAB CCOc1cc(C(F)(F)F)cc(N)n1 95930379 UAQNYHNCACGIGS-UHFFFAOYSA-N 206.167 2.081 0 40 BEAB in-vitro COC[C@@H](C)SCCC(=O)N1CCCCC1 96005550 RDZVKSYAVDMYDC-LLVKDONJSA-N 245.388 2.157 0 40 BEAB CO[C@H](C)CCOC(=O)c1scnc1Cl 96442902 BAFVHGJHZSXWTM-ZCFIWIBFSA-N 249.719 2.378 0 40 BEAB CCCn1cc(CNc2ccc(F)cn2)cn1 97045334 BAYRTAKLQVQYJF-UHFFFAOYSA-N 234.278 2.439 0 40 BEAB CCOC(=O)COc1ccc(-n2cccc2)cc1 98063831 RINKONVSALGPSF-UHFFFAOYSA-N 245.278 2.419 0 40 BEAB O=c1nc2ccccn2c(O)c1-c1ccccc1 104094011 GBBNKBLSGZSWHW-UHFFFAOYSA-N 238.246 2.067 0 40 BEAB CCCC(=O)c1cccc(C(=O)OC)c1 107778781 HQXUVMDKXHAWMM-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB COc1cccc([C@@H]2C[C@@H]2[C@H](C)N)c1OC 108019146 NRMIRCUHNDPXEF-GDPRMGEGSA-N 221.300 2.155 0 40 BEAB C[C@@H]1[C@@H](C)O[C@@H]2CCC[C@@H](CC(=O)O)[C@H]12 225763787 MTYHLPGWADWHSZ-GPTQDWHKSA-N 212.289 2.301 0 40 BEAB FC(F)(F)c1cc(NC2CCOCC2)ncn1 697500397 KMLRVKWGQHNCEN-UHFFFAOYSA-N 247.220 2.086 0 40 BEAB COC(=O)c1cc(-c2ccc(F)cc2)no1 266342 LJONAEUURGWZLX-UHFFFAOYSA-N 221.187 2.267 0 40 BEAB CCCC(=O)Nc1nnc(C(C)C)s1 344518 WYTUYOYEPXKWNH-UHFFFAOYSA-N 213.306 2.400 0 40 BEAB Cc1ccc(CNCc2cccnc2)o1 793400 HDQATYDJUSWSLT-UHFFFAOYSA-N 202.257 2.273 0 40 BEAB CC(=O)C(Sc1nc2ccccc2[nH]1)C(C)=O 1510516 ZGNKSEGCMGFVNQ-UHFFFAOYSA-N 248.307 2.202 0 40 BEAB O=CNc1ccc(-c2ccc(NC=O)cc2)cc1 1724499 BUYZFZMPFRLLFF-UHFFFAOYSA-N 240.262 2.490 0 40 BEAB OCc1cc(Cl)c(O)c(Br)c1 1760436 UVEBYISHTHEIAU-UHFFFAOYSA-N 237.480 2.300 0 40 BEAB CCOCC(=O)Nc1ccc(C)c(C)c1 2069472 RGVIYNOYJFZGDU-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB C/C=C/C(=O)OCC(=O)c1ccc(C)cc1 3240961 JUVMFYQAICZITE-ONEGZZNKSA-N 218.252 2.297 0 40 BEAB Cc1cc(NC(=S)NC2CCCCC2)n[nH]1 6412816 DLGZHEMKNPENKB-UHFFFAOYSA-N 238.360 2.337 0 40 BEAB C[C@H]1CCCN(Cc2ccc(C(=O)O)o2)C1 11954080 KGXNIYZKBVFNRF-VIFPVBQESA-N 223.272 2.210 0 40 BEAB CSCCC(=O)Nc1nc2ccccc2[nH]1 12546588 UTRDDGGBNAYMEB-UHFFFAOYSA-N 235.312 2.255 0 40 BEAB COc1ccc(CCOC[C@H]2CCCNC2)cc1 14631072 PLWTXGVVETUSRT-AWEZNQCLSA-N 249.354 2.254 0 40 BEAB COc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1 15441700 KJOLLAZWNALFQX-SECBINFHSA-N 236.267 2.379 0 40 BEAB N[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F 19841790 NUQMLXJXZQWPFY-SECBINFHSA-N 233.189 2.020 0 40 BEAB COC[C@@H](C)NCCCc1ccccc1 20041886 KZWPKUAVWWXYFP-GFCCVEGCSA-N 207.317 2.244 0 40 BEAB Cc1cc(Cl)cc2c(C(=O)O)[nH]nc12 21984947 BVQXQZPIRPZEGM-UHFFFAOYSA-N 210.620 2.223 0 40 BEAB COc1cc(CN2CCCCC2)cc2c1OCO2 23281709 SEIUATSYIMJHAO-UHFFFAOYSA-N 249.310 2.410 0 40 BEAB O=C(O)CCCCCN1Cc2ccccc2C1=O 26438648 UJAIRQUZRMHYDL-UHFFFAOYSA-N 247.294 2.287 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cn1 32901404 XPRNKOYCCLDTKJ-JTQLQIEISA-N 218.300 2.262 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1 32981943 LCAGTUYVRBIWJP-CMPLNLGQSA-N 203.285 2.267 0 40 BEAB C[C@@H](O)c1ccc(NC(=O)c2cccnc2)cc1 35646036 KLMSOHCDOJDYCR-SNVBAGLBSA-N 242.278 2.387 0 40 BEAB C[C@H](CN)c1cccc(OC(F)F)c1 37245906 ARDHVAPZVXMAEQ-SSDOTTSWSA-N 201.216 2.350 0 40 BEAB CCOc1c(F)cc(CN)cc1Cl 38529992 QJCQLZGSGGNRRH-UHFFFAOYSA-N 203.644 2.337 0 40 BEAB CCN(CC(C)C)C(=O)c1cc(C)no1 40499067 VIKXIHDALLTLOH-UHFFFAOYSA-N 210.277 2.101 0 40 BEAB NCCCc1csc(-c2cccnc2)n1 41232806 VRWVSQJRJPBAGC-UHFFFAOYSA-N 219.313 2.096 0 40 BEAB O=C(OCC[C@@H]1CCCCN1)C1CCCC1 42769371 AYSSBWPERVKKAC-LBPRGKRZSA-N 225.332 2.252 0 40 BEAB CCn1cc(C(=O)NCCOC)c2ccccc21 44873564 RHZKLXKQYFTOEV-UHFFFAOYSA-N 246.310 2.037 0 40 BEAB CCc1nc(CN2C[C@H](C)OC[C@@H]2C)cs1 45785828 CTUFYUJCUZYSQS-UWVGGRQHSA-N 240.372 2.315 0 40 BEAB O[C@H]1CCCN(Cc2cccc3cccnc23)C1 48332839 ONEJUSKITDRDJT-AWEZNQCLSA-N 242.322 2.192 0 40 BEAB Cc1nnc([C@H]2CCN(Cc3cccs3)C2)o1 49169242 RJMBSBVZUJVSME-JTQLQIEISA-N 249.339 2.429 0 40 BEAB biogenic,in-vitro CCCN(CC)CC(=O)NCc1cccs1 58278981 LYZCSUSEAWQXCV-UHFFFAOYSA-N 240.372 2.096 0 40 BEAB Cc1oc(C)c(C(=O)Nc2ccc[nH]c2=O)c1C 58357671 QNLRRGJJYWWXBX-UHFFFAOYSA-N 246.266 2.145 0 40 BEAB CCN(C[C@H](C)C(=O)O)C(=O)c1cccc(C)c1 61214965 MIMQERIVTOQJPG-NSHDSACASA-N 249.310 2.178 0 40 BEAB COC(=O)[C@H]1C[C@H](C)Nc2ccccc21 64032650 HUSNZWYHFRIZPG-WPRPVWTQSA-N 205.257 2.147 0 40 BEAB c1ccc(N2CC[C@@H](Nc3ncccn3)C2)cc1 69653753 BOJAAJVREHISSN-GFCCVEGCSA-N 240.310 2.167 0 40 BEAB CC(C)(CNC(=N)N)c1ccccc1Cl 69709798 HONWVXCVDJYEAC-UHFFFAOYSA-N 225.723 2.101 0 40 BEAB CC(C)(C)OC(=O)[C@](C)(F)Br 72265755 ALFMZDRSSWPMRR-ZETCQYMHSA-N 227.073 2.409 0 40 BEAB CC(=O)Nc1cccc(-n2nc(C)cc2C)c1 75446434 JEXRILTUQBARTM-UHFFFAOYSA-N 229.283 2.448 0 40 BEAB CCN(C(N)=O)[C@@H](C)c1cccc(OC)c1 78934814 YDJSVUNWHICADT-VIFPVBQESA-N 222.288 2.157 0 40 BEAB COC(=O)c1cc(Cl)cc(C)c1OC 82724924 YDMTVSXHQOWZPY-UHFFFAOYSA-N 214.648 2.444 0 40 BEAB Clc1ccc(OC[C@H]2CCCO2)nc1 85316382 ZNSPWNBJJDTWFX-SECBINFHSA-N 213.664 2.293 0 40 BEAB FC(F)(F)c1ccc([C@@H]2CCNC2)nc1 95642451 RZAQCPGMOOTZRZ-SSDOTTSWSA-N 216.206 2.177 0 40 BEAB O[C@H]1CCCc2c(Br)cncc21 95835436 WAUCFCDXBSONNH-VIFPVBQESA-N 228.089 2.214 0 40 BEAB in-vitro COC[C@H](C)SCc1cc(OC)ccn1 95944913 NNFPHWUKGRIAAM-VIFPVBQESA-N 227.329 2.358 0 40 BEAB CCC[C@@H](C)NC(=O)NCc1cc(CC)no1 96421392 BTGCSTUBMVGJRR-SECBINFHSA-N 239.319 2.225 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@@H]1c1ccccc1F 96510179 NNYVFCXRNGPEAP-KOLCDFICSA-N 228.288 2.116 0 40 BEAB CC[C@@H](C(=O)c1ccccc1C)S(C)(=O)=O 96518049 ULLVNQOQJRZSNZ-NSHDSACASA-N 240.324 2.001 0 40 BEAB Cc1cc(F)cc(C(=O)OC2CCOCC2)c1 97032018 XCFBZYUGEDUIGD-UHFFFAOYSA-N 238.258 2.470 0 40 BEAB Cc1ncccc1CN1C[C@@H](C)OCC1(C)C 97139429 VEFDGPLWHWDFNT-LLVKDONJSA-N 234.343 2.389 0 40 BEAB CN(C)C(=O)COc1c(Cl)cccc1Cl 97603230 DRMPKCSMQVXTPP-UHFFFAOYSA-N 248.109 2.460 0 40 BEAB CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2C(=O)NC(=O)[C@@H]21 100740619 QIHKOLSLJMRHDJ-WHOHXGKFSA-N 233.311 2.054 0 40 BEAB biogenic NN[C@@H](c1ccc(Br)cc1)C1CC1 161792449 LQAOIJJICQHYLH-SNVBAGLBSA-N 241.132 2.364 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(C)nc1 217646873 BOHGDLNSPYNXGS-MNOVXSKESA-N 205.257 2.057 0 40 BEAB FC(F)(F)c1c(Cl)nnc2c1COCC2 217731804 WQFVJVSMRFXVKS-UHFFFAOYSA-N 238.596 2.222 0 40 BEAB C[C@@H](Oc1cccc(N)c1)C(=O)n1cccc1 225402647 GABQFSRWZLZSMZ-SNVBAGLBSA-N 230.267 2.178 0 40 BEAB CC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O 225815570 VAJPGMMAQWJLJQ-UHFFFAOYSA-N 231.226 2.384 0 40 BEAB O=C1CC2(CSC2)Oc2ccccc21 238579624 ONZAWJGLNCUOFF-UHFFFAOYSA-N 206.266 2.137 0 40 BEAB Cn1cccc1CNc1cc(C2CC2)nn1C 256050373 DUMZARXLIDPEGT-UHFFFAOYSA-N 230.315 2.248 0 40 BEAB Nc1c(Cl)cc(CC2=NCCN2)cc1Cl 1790 FXNNRWAIGIEAST-UHFFFAOYSA-N 244.125 2.120 0 40 BEAB in-man Br[C@@]12CCCC[C@H]1CNCC2 158432 FPUFEUQHVSBEPE-DTWKUNHWSA-N 218.138 2.304 0 40 BEAB CC(C)CC1=NO[C@](O)(C(F)(F)F)C1 547234 DNFRNBVJXASVNP-ZETCQYMHSA-N 211.183 2.060 0 40 BEAB C[C@@H](Cc1ccc(Cl)cc1)OC(N)=O 2031334 LYBZFTSSSXEHFJ-ZETCQYMHSA-N 213.664 2.366 0 40 BEAB Cc1c(CNCCc2ccccc2)cnn1C 2536445 OEOPTHVDPWCEAJ-UHFFFAOYSA-N 229.327 2.061 0 40 BEAB C[C@@H]1CCc2ccccc2N1C1=NCCO1 4982904 FRIPHYNKQLRIGJ-SNVBAGLBSA-N 216.284 2.214 0 40 BEAB CCOC(=O)C(C)(C)[C@@H](O)c1ccccc1 5325021 OJOQOQPPMWKWGZ-NSHDSACASA-N 222.284 2.309 0 40 BEAB Nc1nn(-c2ccccc2Cl)nc1Cl 5772209 LESPGWGBSXHTSH-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB COc1cc([C@H](C)O)c[n+](Cc2ccccc2)c1 6487596 FHIJRFZBQNEPKF-LBPRGKRZSA-N 244.314 2.084 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@](O)(CC(=O)O)C2 6617290 HBWSRVTVYLQCPC-GGZOMVNGSA-N 212.289 2.038 0 40 BEAB C[C@@H](Cc1n[nH]c(=S)n1N)c1ccccc1 6680051 PEJAZZXFIYYNIB-QMMMGPOBSA-N 234.328 2.001 0 40 BEAB CC(C)(COc1ccc(F)cc1)C(=O)O 8730688 CLDHCJFYLKPYKN-UHFFFAOYSA-N 212.220 2.315 0 40 BEAB CCCn1c([C@H](C)O)nc2cc(N)ccc21 14000466 ZVGPUXKEXKLMPC-QMMMGPOBSA-N 219.288 2.082 0 40 BEAB O=C(NC1CC1)c1cccc2ncccc12 14300414 ACACJOHNOJCCGR-UHFFFAOYSA-N 212.252 2.127 0 40 BEAB Cc1ccc(CN2CCCC[C@@H]2CN)cc1 19843373 JREOTEGZCVNMIX-CQSZACIVSA-N 218.344 2.308 0 40 BEAB Fc1ccccc1CN[C@@H]1CN2CCC1CC2 19871978 CRULJLNEEKZLNG-CQSZACIVSA-N 234.318 2.010 0 40 BEAB COC[C@H](C)Oc1ccc2nc(N)sc2c1 20133691 JMCVSWAZLRYPBB-ZETCQYMHSA-N 238.312 2.292 0 40 BEAB CCOc1ccc(C)cc1CC(=O)OC 20134243 OVEGPYOFKUBFCI-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB Fc1ccccc1CCNC1=NCCS1 20586369 RSKQQIZQZYSYSZ-UHFFFAOYSA-N 224.304 2.061 0 40 BEAB in-vitro O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)ccc21 22127157 ZCVVEBSDEUINLS-NSHDSACASA-N 239.274 2.288 0 40 BEAB NCc1cccc(COCc2ccco2)c1 22171499 UXWFJCHWUYCJKM-UHFFFAOYSA-N 217.268 2.455 0 40 BEAB in-vitro CN(C(=O)c1cnn(C)c1)C1CCCCCC1 32857970 UOGAMFLSSDOBJN-UHFFFAOYSA-N 235.331 2.215 0 40 BEAB CNC[C@@H]1CCCCN1Cc1ccccc1 33961909 OMJZRIGOKXUQEC-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB Cc1cc(Cl)c(Br)c[n+]1[O-] 34122993 IZXSYVQEPYNCMC-UHFFFAOYSA-N 222.469 2.044 0 40 BEAB in-vitro c1ccc(CN2CC[C@@H](CNC3CC3)C2)cc1 34264452 BMFDRCPVKBNLAA-AWEZNQCLSA-N 230.355 2.261 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](CO)CC1CCC1 34566742 YAYOAQZEBASQLZ-SNVBAGLBSA-N 229.320 2.062 0 40 BEAB in-vitro C=CC(=O)N[C@H](C)c1cc(C)ccc1OC 37004046 LSRBKJWTDQGBAF-SNVBAGLBSA-N 219.284 2.367 0 40 BEAB O[C@@H]1CCC[C@H](NCc2ccccc2)C1 37165399 ADACSZOIFGMJFT-QWHCGFSZSA-N 205.301 2.080 0 40 BEAB in-vitro O=C(O)CCCNc1nc2ccccc2o1 37998560 ZQDMFRCRZPAAGW-UHFFFAOYSA-N 220.228 2.105 0 40 BEAB O=C(O)CCc1cc(F)cc(F)c1F 39712919 BHVGSHLXHOLMNH-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB CN(C)C(=O)CN(C)[C@H]1CCCc2ccccc21 40465793 PKZIHHKSYCNAJN-AWEZNQCLSA-N 246.354 2.084 0 40 BEAB O=C(CC(F)(F)F)NCc1ccccc1F 40490341 QBWVEJDCESMURI-UHFFFAOYSA-N 235.180 2.394 0 40 BEAB N[C@H](CCO)c1ccccc1C(F)(F)F 44232189 SZDSETNDCNRZBB-SECBINFHSA-N 219.206 2.088 0 40 BEAB CC(C)NC(=O)c1c(Cl)nc2ccccn12 44944060 IEJBAJAWPNZRSB-UHFFFAOYSA-N 237.690 2.126 0 40 BEAB Nc1cncc(-c2cccc(F)c2)c1N 47203968 YVWZHORCIVVFBY-UHFFFAOYSA-N 203.220 2.052 0 40 BEAB Cc1ccc(F)cc1NC(=O)CCn1cccn1 47665808 DYFGLYJPBNWVAI-UHFFFAOYSA-N 247.273 2.359 0 40 BEAB COc1ccc(-c2nc(CC(=O)O)c(C)o2)cc1 49632728 AKJCQPKXTTTWCR-UHFFFAOYSA-N 247.250 2.286 0 40 BEAB CCCN(CC[C@@H]1CCCNC1)CC1CC1 51919165 WHAIHBHSWKEUPX-ZDUSSCGKSA-N 224.392 2.498 0 40 BEAB CNCCCNCc1c(F)cccc1Cl 57362441 NYEZHVBUPFCBBR-UHFFFAOYSA-N 230.714 2.178 0 40 BEAB CCCN(CCC)CC[C@@H](N)C(C)C 58058305 FENIVXFVCBWLBC-GFCCVEGCSA-N 200.370 2.482 0 40 BEAB CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CC(C)C 65961574 IVZCPOVMYHCTIT-VXGBXAGGSA-N 228.380 2.268 0 40 BEAB Cc1nc(COC(=O)c2ccc(C)s2)no1 71810712 VGTXOTVOCSGQFE-UHFFFAOYSA-N 238.268 2.105 0 40 BEAB C[C@@H](c1ncc(C(C)(C)C)o1)n1cc(N)cn1 72207450 JWHUQIMNXKJVSC-QMMMGPOBSA-N 234.303 2.360 0 40 BEAB CNC(=O)C[C@H](c1ccccc1)[C@@H]1CCCCN1 72208328 GINGSGJMUDUGCH-KGLIPLIRSA-N 246.354 2.048 0 40 BEAB Brc1ncccc1C1=NCCC1 72211594 OOZKGCVQKNWFMJ-UHFFFAOYSA-N 225.089 2.427 0 40 BEAB O=C(Nc1ccc(F)cc1)[C@H]1CCCCCN1 80993367 UMZJJSKWQDMDCV-GFCCVEGCSA-N 236.290 2.296 0 40 BEAB CC(C)[C@H]1C(=O)CCN1C(=O)OC(C)(C)C 82351848 RJMZLGWLBICATL-JTQLQIEISA-N 227.304 2.221 0 40 BEAB C[C@@H](c1ccccc1)n1cnc(C(=O)O)c1 82535205 IYDKQZOOBBIDAS-VIFPVBQESA-N 216.240 2.191 0 40 BEAB CCc1nc(CCNC(=O)[C@H]2C[C@H]2C)cs1 83830281 JLJMQNQZSFLJFT-SCZZXKLOSA-N 238.356 2.020 0 40 BEAB COc1ccc(-c2cnc(N)cn2)c(C)c1 83891424 NAUVOXFREVLWPW-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB O=C(NCC[C@@H](O)c1ccccc1)C1CCC1 85436417 IEHNHROWKAKSTR-CYBMUJFWSA-N 233.311 2.026 0 40 BEAB CCOCCN(C)C(=O)NC[C@@H]1CC=CCC1 93403491 MRYOAWHWJDXZBT-GFCCVEGCSA-N 240.347 2.021 0 40 BEAB CCNCC1CCN(Cc2cccc(O)c2)CC1 94680774 PWUCREHKUOBMDO-UHFFFAOYSA-N 248.370 2.214 0 40 BEAB CC[C@](C)(NCCCc1ccccc1C)C(N)=O 95415771 IROCQIHLTPYXGM-HNNXBMFYSA-N 248.370 2.171 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@@H](C)[C@H](C)CO 95441343 ZGAHCYHKPHXQFJ-NEPJUHHUSA-N 235.327 2.050 0 40 BEAB CCOC(C/C=C/[C@H](O)C(F)(F)F)OCC 95611832 TZHASAQNBQUFHS-GJIOHYHPSA-N 242.237 2.255 0 40 BEAB COCCNC(C)(C)c1ccc(F)c(F)c1 95985726 SULYAUVOHPDGSO-UHFFFAOYSA-N 229.270 2.436 0 40 BEAB Cc1cccc(C(=O)N2CC[C@@]3(CCCO3)C2)c1 96051021 KOSIRTGJGCMGDX-HNNXBMFYSA-N 245.322 2.390 0 40 BEAB CCOCC(=O)Nc1cncc(Cl)c1Cl 97046995 OGEOITGEEKYSEZ-UHFFFAOYSA-N 249.097 2.363 0 40 BEAB Cc1cc(NC(=O)N2CCO[C@H](C)[C@H]2C)ccn1 97048796 XONISPZCCCJNSX-GHMZBOCLSA-N 249.314 2.031 0 40 BEAB COC[C@H](C)Nc1cccc(-c2ncon2)c1 97095665 XURCRFBKYFIKSZ-VIFPVBQESA-N 233.271 2.183 0 40 BEAB Cc1cccc(-c2nnc(S)n2C)c1C 116937231 QHEQXQWZGUFGSK-UHFFFAOYSA-N 219.313 2.388 0 40 BEAB CCOC(=O)c1c(Cl)cnn1C(C)C 233706362 WUXZBENCSHVQHO-UHFFFAOYSA-N 216.668 2.294 0 40 BEAB C[C@H]1[C@H](C)C[C@H](N)CN1Cc1ccccc1 238854459 NVIRYIHNKWLTFW-DYEKYZERSA-N 218.344 2.244 0 40 BEAB Cc1cnn(C)c1NCc1cccs1 256053181 QJZIVCKIZOEJCY-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB Cc1cc(CN2CCC[C@H]2c2cnccn2)no1 257259862 LAIOJWFUCLFFRX-ZDUSSCGKSA-N 244.298 2.110 0 40 BEAB CCOC(=O)c1cc(O)c2cccc(F)c2n1 607717345 UTFHTYIOTDUYKY-UHFFFAOYSA-N 235.214 2.256 0 40 BEAB COc1nc2cc(Cl)ccc2cc1N 685937605 TYPUPXMEBVNCQN-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB c1csc(Nc2cnn3c2CCCC3)n1 894939147 IINGOFXSDIGVCS-UHFFFAOYSA-N 220.301 2.420 0 40 BEAB Cc1nc(N2CCCCC2)nc2c1CCC2 1394108 RLBALSUCMJSIBU-UHFFFAOYSA-N 217.316 2.264 0 40 BEAB CCC(CC)C(=O)OCC[C@@H](C)OC 1570882 JJVBJDZOSZWBFB-SECBINFHSA-N 202.294 2.391 0 40 BEAB CCOc1ccc(N(CC)C(C)=O)cc1 1692092 IWXURAOZPFLNQM-UHFFFAOYSA-N 207.273 2.458 0 40 BEAB OC[C@@H](c1ccccc1)[C@H](O)Cc1ccccc1 1703744 HVZQCETZYHCKCP-JKSUJKDBSA-N 242.318 2.366 0 40 BEAB C[C@@H]([C@@H](O)c1ccccc1)[n+]1ccccc1 1712269 YFPQJXQDJMCHQA-GXTWGEPZSA-N 214.288 2.269 0 40 BEAB CCCCOC[C@H](O)Cn1cnc2ccccc21 2182512 LBXDGWRHXXOQOU-GFCCVEGCSA-N 248.326 2.214 0 40 BEAB CCC(CC)[C@@H](O)[C@H]1CCCC[C@@H]1O 2566227 PKYNNTVDTHYWOQ-SDDRHHMPSA-N 200.322 2.335 0 40 BEAB CCOc1cc(Cl)cc(C=O)c1O 3190883 NMRAFMVJEYGQEM-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB Cc1cn2cccc([C@H]3CCCN3C)c2n1 5285996 UWLKOENOIPXUJK-GFCCVEGCSA-N 215.300 2.409 0 40 BEAB Cc1cc2c(cc1C)[C@H](O)CCC(=O)N2 5766504 MMIMUICEPXCEFI-LLVKDONJSA-N 205.257 2.069 0 40 BEAB CC(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732799 UOJIKZXAOJCELO-SSDOTTSWSA-N 239.296 2.210 0 40 BEAB Cc1ccc(CNC(=O)NC2CC2)cc1F 12895505 PLUGDQCAIXTBQR-UHFFFAOYSA-N 222.263 2.096 0 40 BEAB C[C@@H](Oc1ccccc1)C(=O)NCC(F)(F)F 13004210 VEGWBYHSTUWCAM-MRVPVSSYSA-N 247.216 2.132 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1 16291987 INBNTZUEACCAHO-STQMWFEESA-N 233.311 2.028 0 40 BEAB Cc1nc(N)c2sc(Br)cc2n1 16696887 RJGJZVSGTGXUQQ-UHFFFAOYSA-N 244.117 2.344 0 40 BEAB Nc1nnc(-c2cc3c(s2)CCCC3)o1 19835248 FUUQAUPFODNGDT-UHFFFAOYSA-N 221.285 2.259 0 40 BEAB in-vitro CCOC(=O)c1ccc(Cl)cc1NC(C)=O 19872708 BHHDROIZYOYICI-UHFFFAOYSA-N 241.674 2.475 0 40 BEAB O=C1O[C@@H](C2CC2)c2cc3c(cc21)OCCO3 20096388 OJSBNDOPSHXWQM-LBPRGKRZSA-N 232.235 2.079 0 40 BEAB COc1cc([C@H](C)N)ccc1OC(F)F 22216936 BEAWGBQBYFZGAN-LURJTMIESA-N 217.215 2.316 0 40 BEAB in-vitro Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cn1 32907105 ZDWIZXJCIOPRMN-JTQLQIEISA-N 218.300 2.261 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(F)(F)F 34483673 MYNSYJHFPQPYDV-RXMQYKEDSA-N 241.209 2.031 0 40 BEAB Cc1ccc(-n2cccc2C(=O)O)cc1 35431541 DZVBLFFSFWALTK-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB COc1ccccc1CNCc1c(C)n[nH]c1C 36864499 SGIXNOZISCCHOC-UHFFFAOYSA-N 245.326 2.325 0 40 BEAB CC(C)C(=O)NCCCOC1CCCCC1 40476631 UDTNVFIMZSIPLC-UHFFFAOYSA-N 227.348 2.498 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N(C)C1CCCC1 40489211 USYUNDCQMZKSOY-UHFFFAOYSA-N 249.310 2.271 0 40 BEAB CN(C)C(=O)CCOc1ccc(Cl)cc1 40534080 ISVBBLCLEQNIES-UHFFFAOYSA-N 227.691 2.197 0 40 BEAB Cn1ccnc1SCC[C@H]1CCCCN1 43499439 VMHVLTNPEUYAKM-SNVBAGLBSA-N 225.361 2.044 0 40 BEAB CCCN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C 65462776 JATCQMNAJOMXKN-JQWIXIFHSA-N 232.327 2.264 0 40 BEAB Cn1cc(NC(=O)Oc2ccccc2)cn1 70254676 ZPHGZPUKLGDRLV-UHFFFAOYSA-N 217.228 2.031 0 40 BEAB Cc1nc(N)ccc1[C@@H]1CCCCN1C 72218574 UEKDFUSKQWKHJN-NSHDSACASA-N 205.305 2.129 0 40 BEAB COC(=O)c1ccc(Cc2ccccc2)[nH]1 72324045 FMWQVNWZRAQOBM-UHFFFAOYSA-N 215.252 2.392 0 40 BEAB O=C(O)Cc1coc2cc(F)cc(F)c12 75882444 HTVJZZLRYRMVFK-UHFFFAOYSA-N 212.151 2.338 0 40 BEAB CSC(C)(C)CNC(=O)NCc1ccco1 76082188 KSQSRAPLUJCECA-UHFFFAOYSA-N 242.344 2.220 0 40 BEAB Cc1nnc(N2CCc3sccc3C2)s1 77487324 NQHNVARNNXUHCN-UHFFFAOYSA-N 237.353 2.471 0 40 BEAB Cc1ccsc1CN(CCO)C(C)C 79436115 XTNKYEHINVZVRS-UHFFFAOYSA-N 213.346 2.259 0 40 BEAB C[C@@H](CSCc1cccnc1)C(=O)O 83051067 VEMSDKOJSQOPCG-QMMMGPOBSA-N 211.286 2.036 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CCNC2)C1 83339332 DVXNFYCGXYZJDI-MFKMUULPSA-N 240.347 2.043 0 40 BEAB C[C@@H](N)c1ccc(N2CCCCC2=O)cc1 83684239 PSYJDJLOCHXDCU-SNVBAGLBSA-N 218.300 2.223 0 40 BEAB in-vitro CC(=O)[C@H](O)c1ccc(Br)cc1 84506942 CPKAAKNUOYCKDF-VIFPVBQESA-N 229.073 2.072 0 40 BEAB OCCOc1ccccc1OCC1CCC1 95435649 FKHNEGJMWYAYOT-UHFFFAOYSA-N 222.284 2.237 0 40 BEAB N[C@@H](CCc1ccc2ccccc2c1)C(=O)O 95749294 DLEUTYGDMYCFQF-ZDUSSCGKSA-N 229.279 2.184 0 40 BEAB OCCOc1ccc(-c2ccccc2)nc1 96007503 FZZWPUBYMXNDQF-UHFFFAOYSA-N 215.252 2.120 0 40 BEAB Cc1cccc(C(=O)Nc2onc(C)c2C)n1 96427055 UMLAMOHECSBDLB-UHFFFAOYSA-N 231.255 2.247 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](N)C1CCCC1 98095697 YMJKXSPQOOJCBY-JTQLQIEISA-N 228.336 2.029 0 40 BEAB in-vitro Cc1c(C(=O)O)sc(=N)n1Cc1ccccc1 100706361 OPZOFCKFWXRISN-UHFFFAOYSA-N 248.307 2.084 0 40 BEAB CC(C)CSCCN1C(=O)[C@H](C)[C@@H](C)C1=O 101903614 OFZIRYUZDABPHR-NXEZZACHSA-N 243.372 2.017 0 40 BEAB Cc1noc(C)c1C(=O)N1Cc2ccccc2C1 105980519 NJRYEWMNZHYUCC-UHFFFAOYSA-N 242.278 2.447 0 40 BEAB Brc1ncn(-c2ccccc2)n1 117115804 XTSIZQMUJXMRBS-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB c1cc(-c2nc([C@@H]3CCCCCN3)no2)ccn1 135981487 QELAJKPAJKWNTC-NSHDSACASA-N 244.298 2.336 0 40 BEAB CCn1cc(Cc2ccccc2F)nc1N 199550075 PNOMMOJEWDMTFA-UHFFFAOYSA-N 219.263 2.215 0 40 BEAB c1cncc(C[C@H]2CCC[C@@H]3CNC[C@@H]32)c1 205684432 ZIXCJUFTDFKIFZ-MGPQQGTHSA-N 216.328 2.260 0 40 BEAB c1csc(CCN2CCN[C@H]3CCC[C@@H]32)c1 225716157 QAUPJZQIGTZSKP-STQMWFEESA-N 236.384 2.117 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)C[C@H]21 252551063 TWTPKDUTNOWMNE-ZNSHCXBVSA-N 212.289 2.143 0 40 BEAB Cc1c[nH]c([C@@H]2CCN(Cc3cncs3)C2)n1 257337930 YVBHIHJNPHJDBO-SNVBAGLBSA-N 248.355 2.164 0 40 BEAB C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1cnn[nH]1 521395288 WHKJLVCKCPMSBA-DJLDLDEBSA-N 207.302 2.109 0 40 BEAB C[Si](C)(C)c1cc(Br)cnc1O 1565504789 KHXYKIURIRJEMN-UHFFFAOYSA-N 246.180 2.095 0 40 BEAB Nc1cc(Cl)nnc1-c1ccccc1 164056 QRBIZMKABNSGMQ-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB O=C1OCc2cccc3ccc(O)c1c23 2513781 VGYIJDXWARVHJI-UHFFFAOYSA-N 200.193 2.216 0 40 BEAB COc1ccc([C@@H](N)CC(=O)OC(C)C)cc1 4219127 PIDBAHHGPSWQCF-LBPRGKRZSA-N 237.299 2.037 0 40 BEAB CCc1nonc1NC(=O)c1ccccc1C 9200216 OOLCOPUYVWBZJZ-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB Cc1oc(-c2ccccc2)nc1CCN 11585172 OLHUHWHQNDWHJS-UHFFFAOYSA-N 202.257 2.151 0 40 BEAB Cc1cccc(N[C@@H]2CCCCNC2=O)c1 12545011 JZDLOKZYOJBZKE-GFCCVEGCSA-N 218.300 2.076 0 40 BEAB c1ccc(CCCO[C@@H]2CCCNC2)cc1 14631569 KALLVCSEBNHPMQ-CQSZACIVSA-N 219.328 2.388 0 40 BEAB CC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1 15443027 LMAPTDDADPIENX-UHFFFAOYSA-N 243.303 2.251 0 40 BEAB CCOc1ccc2nc(NC(N)=O)sc2c1 19393836 IFDKYGFRLNFSIX-UHFFFAOYSA-N 237.284 2.186 0 40 BEAB CN1CCC[C@@]2(CC1)CNCc1ccccc1O2 19588841 RXUUOTBAJOFNFB-OAHLLOKOSA-N 246.354 2.023 0 40 BEAB Cc1cc(Cl)c2[nH]cc(C(=O)O)c(=O)c2c1 19721551 HCJYGXRYMKFEDS-UHFFFAOYSA-N 237.642 2.188 0 40 BEAB CC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136419 KDPZYFFRHPTWLJ-UHFFFAOYSA-N 231.251 2.397 0 40 BEAB C[C@@H](c1ccccc1Cl)N1CCNCC1 20281675 JGFYDJGEOKSTPX-JTQLQIEISA-N 224.735 2.306 0 40 BEAB in-vitro C[C@H](NC(=O)[C@@H](C)n1cccn1)c1cccs1 28428744 BVERBSAYYGAHSN-VHSXEESVSA-N 249.339 2.383 0 40 BEAB Cc1cc(C(=O)N[C@H]2CCc3ccccc32)on1 32850830 ZAXIFDPDMALYKB-LBPRGKRZSA-N 242.278 2.400 0 40 BEAB CN(C(=O)[C@H]1CCCO1)C1CCCCCC1 32857958 ZUPKJPXWGGDFGP-GFCCVEGCSA-N 225.332 2.347 0 40 BEAB NC(=O)N(O)CCc1cc2ccccc2s1 34006258 XRILLUAJCNTTRI-UHFFFAOYSA-N 236.296 2.214 0 40 BEAB O=C(Nc1ccccn1)c1cccnc1S 34088044 OYLSYRNTBGZZGY-UHFFFAOYSA-N 231.280 2.018 0 40 BEAB Cc1cc(N[C@H](C)c2ccco2)n2ncnc2n1 35135150 KDGSBSLRTLEYJY-SECBINFHSA-N 243.270 2.199 0 40 BEAB O=C(Cc1ccc(Cl)cc1)Nc1cn[nH]c1 35237577 ALXMPCIWEGZANE-UHFFFAOYSA-N 235.674 2.244 0 40 BEAB O=C(O)[C@@H]1CCCN(CC2CCCCC2)C1 35296618 BYFHWNGHYYXTCP-GFCCVEGCSA-N 225.332 2.363 0 40 BEAB O=C(O)c1ccc(CSc2ccncn2)cc1 35655330 KZHHOIYSUSXIAZ-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB O=C(O)c1c(F)cc(O)c(F)c1Cl 36533763 WNZHHCPIHPCXAW-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB O=C(CC[C@H]1CCCNC1)Nc1ccccc1 36757294 JVVISZLPBNBADC-GFCCVEGCSA-N 232.327 2.405 0 40 BEAB Cc1cc(N)ccc1N1C[C@H](C)O[C@H](C)C1 36950047 MCSWCGYAZDDPED-PHIMTYICSA-N 220.316 2.191 0 40 BEAB Cc1ccc(Nc2ccc(N)cc2C(N)=O)cc1 41082133 XHNLENGAUJFYHJ-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB c1cnn(CCNCC2CCCCC2)c1 42351677 OSMXANYVXCPKDL-UHFFFAOYSA-N 207.321 2.053 0 40 BEAB COCC(=O)N[C@@H](C)c1cc2ccccc2o1 45868394 RVXXGELHNUTCHH-VIFPVBQESA-N 233.267 2.256 0 40 BEAB COC(=O)c1cc(F)c(Cl)cc1F 47202267 JFBCLLOUVKHZDW-UHFFFAOYSA-N 206.575 2.405 0 40 BEAB CCCN1CCC(CN2CCCC2)CC1 47968202 CDWSTCKRMHTWKX-UHFFFAOYSA-N 210.365 2.204 0 40 BEAB CCCN(C)S(=O)(=O)Cc1ccccc1C 71897432 PHYRNASGNJBEQH-UHFFFAOYSA-N 241.356 2.167 0 40 BEAB COc1ccccc1OC(=O)C1CCC(=O)CC1 73405974 ZDOLWNLHIARCMC-UHFFFAOYSA-N 248.278 2.360 0 40 BEAB C[C@@H](c1ccc(F)cc1)N(CCO)C1CC1 79421190 VLJHWQVPIWVCTR-JTQLQIEISA-N 223.291 2.343 0 40 BEAB CN1CCC[C@@H](C(=O)NC2CCCCCC2)C1 82317354 KUIQQBKDGDLPQQ-GFCCVEGCSA-N 238.375 2.167 0 40 BEAB Nc1cnc(-c2ccc3c(c2)CCC3)cn1 83891428 OHEVNDFEMOUSNM-UHFFFAOYSA-N 211.268 2.215 0 40 BEAB CCOC(=O)CCOc1cc(C)ccc1F 84859733 PABSSSYDMMDVPD-UHFFFAOYSA-N 226.247 2.466 0 40 BEAB CC(C)CCOc1cccc(CC(N)=O)c1 85261620 FTFUPLNGAHUKMV-UHFFFAOYSA-N 221.300 2.139 0 40 BEAB Cc1cnc2c(Br)nc(Cl)cn12 95829912 QWEAGIBSBWTULE-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB Cc1ncnc2c1CCN(CC1CCCC1)CC2 96254990 ZQCNITKLPHJJQO-UHFFFAOYSA-N 245.370 2.376 0 40 BEAB CC(C)CSCCCSc1nnc(O)[nH]1 194622834 HHNWYQIVQJSPTQ-UHFFFAOYSA-N 247.389 2.382 0 40 BEAB N[C@H]1CCCc2nc(Br)sc21 216753194 WDGISCUQHJOYLP-BYPYZUCNSA-N 233.134 2.242 0 40 BEAB CSc1ncc2c(n1)C[C@H](C(F)F)C[C@H]2O 217649279 QPSXIVGKORDZCR-YLWLKBPMSA-N 246.282 2.059 0 40 BEAB O=C(Nc1ccn2nccc2c1)c1ccco1 217955467 ALXMTLMZXFGLIY-UHFFFAOYSA-N 227.223 2.180 0 40 BEAB Cc1cccc(NC(=O)N/C=C/C(=O)O)c1C 222694945 HVTBMKRFSZLDEQ-VOTSOKGWSA-N 234.255 2.023 0 40 BEAB Clc1cnn2c(Br)cnc2c1 222952222 OCVBJMQWYBGWJF-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CCCn1c(C)cc(CNCCOC)c1C 223659288 DEZTXKBZRKGJMT-UHFFFAOYSA-N 224.348 2.251 0 40 BEAB COc1cc(C)c(NC(=O)C2(C)CC2)cn1 225959489 MMEKKPJQGQBNFT-UHFFFAOYSA-N 220.272 2.137 0 40 BEAB CN(C)C(=O)c1ccc2oc(Cl)nc2c1 225977573 ZQRFOVLLPYLEFD-UHFFFAOYSA-N 224.647 2.183 0 40 BEAB CCCc1ccc(CNCCOC)n1CC 226020906 PMQWBDDLYYFFGM-UHFFFAOYSA-N 224.348 2.197 0 40 BEAB Cc1nc2c(ccn2C)c(Cl)c1C=O 238509619 WOSTUDHUWSHGFN-UHFFFAOYSA-N 208.648 2.348 0 40 BEAB CCN(C(=O)c1cccc(C)c1C)[C@@H](C)C(=O)O 659773891 VHBUBDRPGYOZSQ-NSHDSACASA-N 249.310 2.239 0 40 BEAB O=C(O)[C@@H]1OCCC[C@@H]1c1ccccc1 1535642528 MHFZHWXWHLGJQQ-GHMZBOCLSA-N 206.241 2.034 0 40 BEAB O[C@@H](C[C@@H]1CCCCN1)c1ccccc1 1567969 OPZVPQVONVBYTF-STQMWFEESA-N 205.301 2.252 0 40 BEAB biogenic CCOC(=O)C[C@H]1C[C@H](C(=O)OCC)C1(C)C 1627029 FJYUJCOPVWAEOU-NXEZZACHSA-N 242.315 2.165 0 40 BEAB COC(OC)[C@H](O)[C@@H](C)CCC=C(C)C 1677797 KQXVQXGQCFOXHD-WDEREUQCSA-N 216.321 2.349 0 40 BEAB Cc1ccccc1CN1CCCC[C@@H]1C(=O)O 3755313 DCFSTMVBCKBJQY-CYBMUJFWSA-N 233.311 2.434 0 40 BEAB COC(=O)c1cc2cc(Cl)ccc2oc1=O 4069905 SIVKEKMMNJJQEC-UHFFFAOYSA-N 238.626 2.233 0 40 BEAB CC1(C)CN(Cc2ccccc2)C[C@H]1C(=O)O 4203356 YLHKSZFLQXTQKA-LBPRGKRZSA-N 233.311 2.229 0 40 BEAB O=c1ccn2c(n1)S[C@@H](c1ccccc1)C2 5493311 QFKQAYHUYGWWNA-SNVBAGLBSA-N 230.292 2.090 0 40 BEAB Cc1ccc[n+](C[C@H](O)c2ccccc2)c1 6523053 PMVWWEXJELUWNS-AWEZNQCLSA-N 214.288 2.016 0 40 BEAB NC(=O)[C@@H](Sc1ccccn1)c1ccccc1 11334995 RCASSAXPHBGWPA-LBPRGKRZSA-N 244.319 2.400 0 40 BEAB C[C@H](O)CNc1nc(Cl)nc2ccccc12 11756470 LKHJLQFUNUCSQZ-ZETCQYMHSA-N 237.690 2.076 0 40 BEAB COc1cc(C)ccc1O[C@@H]1CCCNC1 12359834 KINQIODVYMPWNZ-LLVKDONJSA-N 221.300 2.134 0 40 BEAB Cc1nc(CNC(=O)Cc2ccccc2)cs1 15832294 OIYKDCKASLIGRC-UHFFFAOYSA-N 246.335 2.310 0 40 BEAB O=C(c1ccoc1)N1CCCc2ncccc21 23024730 JOQDVEJERRUIEW-UHFFFAOYSA-N 228.251 2.268 0 40 BEAB CCCc1nc2cc3c(cc2[nH]1)OCCO3 31943897 WXWXYBKMEUZHBE-UHFFFAOYSA-N 218.256 2.287 0 40 BEAB CC(=O)N1c2ccccc2C(=O)C[C@H]1C 32188920 GRMBWHSWBPDLBU-MRVPVSSYSA-N 203.241 2.014 0 40 BEAB in-vitro C[C@H](CC(=O)N1CCCNCC1)CC(C)(C)C 36889235 GEAOAXXILQQRHM-GFCCVEGCSA-N 240.391 2.271 0 40 BEAB COC(=O)c1ccc2ccccc2c1N 37475368 BQCNDQVTNMXQGK-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB in-vitro Cn1cc(NC(=O)c2ccc(Cl)s2)cn1 40087442 BETDIIWVSGNSFR-UHFFFAOYSA-N 241.703 2.387 0 40 BEAB CCCc1cc(C(=O)Nc2ccccn2)[nH]n1 44226873 PZEUDNDPMQZDGS-UHFFFAOYSA-N 230.271 2.010 0 40 BEAB CC(C)C[C@@H](C)NCCN1CCCCC1 49574533 JPGSFOZLFQPJDB-CYBMUJFWSA-N 212.381 2.497 0 40 BEAB CCCC(=O)N1CCCC[C@@H]1CCC(=O)O 50921308 VAGIPZMCNVQVBI-SNVBAGLBSA-N 227.304 2.032 0 40 BEAB O=C(Nc1ccncc1)c1ccsc1 57536113 KBGSSJWTSLWNLH-UHFFFAOYSA-N 204.254 2.395 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)c1cc(C2CC2)on1 58363891 BFNUEPFQVOEPSI-MRVPVSSYSA-N 234.299 2.423 0 40 BEAB CN(C)c1ccc(CNCC(C)(C)C)cn1 66972107 COHYCWLBSKIVGK-UHFFFAOYSA-N 221.348 2.283 0 40 BEAB Cc1nc(CC(C)C)sc1C(=O)N1CCC1 68095537 CIFNCJCUFVOHOR-UHFFFAOYSA-N 238.356 2.496 0 40 BEAB Cn1ccnc1[C@H](N)C1(c2ccccc2)CC1 69473901 MRZWKRWGHNCNLH-LBPRGKRZSA-N 227.311 2.152 0 40 BEAB CN(C(=O)OC(C)(C)C)C1(C(=O)O)CCCC1 69550844 YSEDBEYQSAQOPD-UHFFFAOYSA-N 243.303 2.251 0 40 BEAB CCOC(=O)/C=C1\CCOc2ccccc21 71257265 ZUPWDLFUXLMICR-MDZDMXLPSA-N 218.252 2.416 0 40 BEAB CCCn1c(=O)cc(C)c2cc(N)ccc21 72220801 MUIYSVATTOYHFV-UHFFFAOYSA-N 216.284 2.302 0 40 BEAB CC(C)NC(=O)N[C@@H](CCN(C)C)C(C)(C)C 72286639 PUVIVEUZLAGTJD-NSHDSACASA-N 243.395 2.060 0 40 BEAB c1cc(N2CCC[C@@H](c3ccncn3)C2)ccn1 72356920 HBPOAXMXQSQZTN-GFCCVEGCSA-N 240.310 2.256 0 40 BEAB CCCOC(=O)c1csc(-c2cnccn2)n1 77476553 NZSYFKQMSYZORO-UHFFFAOYSA-N 249.295 2.167 0 40 BEAB COC(=O)CSc1ccc([C@H](C)O)cc1 82616851 FEGPLPASIVWVQN-QMMMGPOBSA-N 226.297 2.005 0 40 BEAB CC(C)[C@@H](N)CN(C)CCc1ccccc1 83852841 GDFRWCWKZQLZAW-AWEZNQCLSA-N 220.360 2.144 0 40 BEAB NCCc1ccc(OCCC2CC2)cc1 83926024 OEWGRQBTASECLZ-UHFFFAOYSA-N 205.301 2.367 0 40 BEAB Cc1ccc2c(Cn3cccn3)cc(=O)oc2c1 85399428 IGYQODXWUSOKKD-UHFFFAOYSA-N 240.262 2.346 0 40 BEAB CC(C)(C)OC(=O)N1CCOC[C@H]1C1CC1 89781687 WODPCOWZBSAGOO-JTQLQIEISA-N 227.304 2.032 0 40 BEAB in-vitro O=C(O)CCN1CCC[C@H]1Cc1ccccc1 89830316 MUHMQISBVLNJAA-ZDUSSCGKSA-N 233.311 2.168 0 40 BEAB C[C@H](NCc1nnc2n1CCCCC2)C1(C)CC1 95419396 ZJVMIKAMNHTRJN-NSHDSACASA-N 248.374 2.283 0 40 BEAB CC(C)(C)OC(=O)Nc1cncc(C=O)c1 95761548 YHDQFBOFYIYCLF-UHFFFAOYSA-N 222.244 2.241 0 40 BEAB FC(F)(F)Oc1ccc(C2CNC2)cc1 96028876 HJFMIPQDILWZBD-UHFFFAOYSA-N 217.190 2.272 0 40 BEAB CCOCC(=O)N[C@H]1CCC[C@@H](SCC)C1 96451460 PJXUJQQRCXELGP-WDEREUQCSA-N 245.388 2.203 0 40 BEAB Cc1cc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)no1 100448370 IYJKHTMDTYUZEX-BBBLOLIVSA-N 220.272 2.358 0 40 BEAB COc1cc2nn(-c3ccccc3)nc2cc1N 145019727 NRSFQKRQMSBQAO-UHFFFAOYSA-N 240.266 2.011 0 40 BEAB O=C1CCc2cc(O)ccc2N1CC1CC1 218784059 MPBJJNRCVQCGGG-UHFFFAOYSA-N 217.268 2.081 0 40 BEAB O=C1NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 218823606 XALZJPMVXSKUDB-MRVPVSSYSA-N 241.699 2.234 0 40 BEAB Cc1ccc(N[C@@H](C(=O)O)C(C)C)c(N)c1 223771718 DYJUVCZFFVWESP-LLVKDONJSA-N 222.288 2.098 0 40 BEAB CCC[C@]12CCC(=O)N1[C@H]1CCCC[C@H]1N2 251116473 HFBNSQOMCGXKBX-NTZNESFSSA-N 222.332 2.020 0 40 BEAB Cc1c[nH]c([C@@H]2CCCN2C2CCOCC2)n1 257327896 XDFDWTKNHIXPNS-LBPRGKRZSA-N 235.331 2.034 0 40 BEAB CC(C)(C)OC(=O)NC1=C(N)CCCC1 1560407630 VYWXRMHUWDRCGK-UHFFFAOYSA-N 212.293 2.255 0 40 BEAB Cc1cc2c(cc1C)N[C@@H](C)CC(=O)N2 67183 XLCUHBZBXLYRMW-VIFPVBQESA-N 204.273 2.446 0 40 BEAB CCCN1CCC(NCc2ccco2)CC1 810240 SDXILLJPAAPTNA-UHFFFAOYSA-N 222.332 2.244 0 40 BEAB O=C1c2ccccc2-c2c1nc1ccccc1[n+]2[O-] 1694672 VRRONBPXKBGDIY-UHFFFAOYSA-N 248.241 2.080 0 40 BEAB CCOC(=O)C1=Cc2cc(OC)ccc2OC1 2383028 QNUWBOZJFBGFBG-UHFFFAOYSA-N 234.251 2.034 0 40 BEAB CCCCCC[C@@H](CC(=O)O)C(=O)O 2566748 ZJVMHPVIAUKERS-QMMMGPOBSA-N 202.250 2.132 0 40 BEAB biogenic,in-vitro Nc1ccc([C@H](CC(=O)O)n2cccc2)cc1 4052852 WENHWQURZXLMAE-LBPRGKRZSA-N 230.267 2.134 0 40 BEAB Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2N=O 4673447 FLFNKEWNZOUJJU-LDYMZIIASA-N 206.245 2.308 0 40 BEAB CN(C)c1cccc(-c2nnc(S)o2)c1 4973847 FZMWDKDPKYHYEX-UHFFFAOYSA-N 221.285 2.091 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1ccncc1 5528002 LLNCJYRCWMEUJW-SNVBAGLBSA-N 204.273 2.096 0 40 BEAB Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2O)cc1 6922979 WYQVMNNOJHPEAF-NWDGAFQWSA-N 234.299 2.030 0 40 BEAB CC[C@@H](C)NC[C@H](O)COc1ccc(C)cc1 10384147 CFICZWAOJCDSHZ-OLZOCXBDSA-N 237.343 2.123 0 40 BEAB Cc1cc2ccc(Cl)cc2nc1NN 11633998 DXOMKWXSCZHPRO-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB in-vitro Nc1cccc(-c2nc3ncccc3[nH]2)c1 11919560 YFFKNKVIPUKSDL-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vitro O=C(COc1ccc(F)cc1)NC1CCCC1 19935032 KIXWLNUIDDKQKH-UHFFFAOYSA-N 237.274 2.263 0 40 BEAB NC(=O)c1cccc(NCc2cccs2)c1 20124833 VMSFGYHLGDFMDG-UHFFFAOYSA-N 232.308 2.459 0 40 BEAB Cc1nc(Cc2ccccc2)nc(C)c1CN 20397207 IUKFPWMIRFAFDT-UHFFFAOYSA-N 227.311 2.143 0 40 BEAB CC[C@H](C)n1ncc2cc(C(=O)O)cnc21 22143406 NHPDQPACTIHEGT-ZETCQYMHSA-N 219.244 2.101 0 40 BEAB in-vitro Cc1nn(C)c2ncc(NC(=O)CC(C)C)cc12 24032576 WMCGBALGSZZFKH-UHFFFAOYSA-N 246.314 2.261 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cnn(C)c1 32537881 KZHNUUCEZWRKEN-DDOQPMFUSA-N 247.342 2.128 0 40 BEAB CC(=O)COc1ccc(Br)cc1 34370846 CFPFUJANAPAZSH-UHFFFAOYSA-N 229.073 2.417 0 40 BEAB in-vitro O=C1COc2c(F)cc(Br)cc21 35652490 ZONQHBBLYAMHSA-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB in-vitro COc1ccc(CNc2cnn(C)c2)cc1 35737908 LBFQFDJKYWUFCM-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 37242165 QNJREWJCDASCTQ-MRVPVSSYSA-N 246.232 2.123 0 40 BEAB in-vitro O=C(O)[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 37380872 XRVPPNOXFATEAL-RKDXNWHRSA-N 228.194 2.476 0 40 BEAB CC(C)(C)N1CCC(NCc2ccncc2)CC1 37786341 PVDAIRDBSFJIOY-UHFFFAOYSA-N 247.386 2.434 0 40 BEAB O=C(O)c1ccc(OC(F)F)cc1F 38530036 JEXCVZBFHDTIDA-UHFFFAOYSA-N 206.119 2.125 0 40 BEAB Oc1ccc([C@H](O)C(F)(F)F)nc1Cl 38997946 CKPRMYICFAOSPJ-YFKPBYRVSA-N 227.569 2.036 0 40 BEAB CCONC(=O)CCc1ccccc1Cl 40489434 CAETUVIXFGJKMS-UHFFFAOYSA-N 227.691 2.340 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N(C)[C@H](C)C1CC1 40521138 SJLRTCYHDDMQPZ-MNOVXSKESA-N 227.348 2.304 0 40 BEAB COC(=O)c1cccc(CN2CCCC2)c1 42684376 CIEZKBUYAMSZBS-UHFFFAOYSA-N 219.284 2.069 0 40 BEAB CS[C@H](C)C(=O)N(C)Cc1c(C)noc1C 43038022 DGBWLYPQTZWLTD-SECBINFHSA-N 242.344 2.001 0 40 BEAB c1ccc(OCCNCc2cscn2)cc1 48777092 KJAIHIAOWCALQU-UHFFFAOYSA-N 234.324 2.312 0 40 BEAB c1ccc(C2(c3nnn[nH]3)CCCC2)cc1 62782393 HWTNEZOEDNKNQI-UHFFFAOYSA-N 214.272 2.060 0 40 BEAB C/C(=C\c1ccccc1)CN1CC[C@H](CN)C1 65498354 VCZQLEOXZXJBCG-BMQCOBNYSA-N 230.355 2.371 0 40 BEAB C[C@H]1CCCN(C(=O)c2ncncc2Cl)C1 75104641 OPNCIDXDUBSPSQ-QMMMGPOBSA-N 239.706 2.002 0 40 BEAB C1=CC[C@H]2CN(c3nc(C4CC4)no3)C[C@H]2C1 78370795 YEADSVSDAZSBMT-PHIMTYICSA-N 231.299 2.349 0 40 BEAB COc1ccccc1-c1ccc(C(C)=O)c(=O)[nH]1 82683151 BWOPDZCUFIJUOG-UHFFFAOYSA-N 243.262 2.253 0 40 BEAB CCc1ccccc1-c1nc(CN)co1 89064993 SPOCJGXPMIHIFN-UHFFFAOYSA-N 202.257 2.363 0 40 BEAB Cc1cc(Cn2cncn2)c2ccccc2n1 90713954 VUVMWYLKOYKYQK-UHFFFAOYSA-N 224.267 2.183 0 40 BEAB CSCc1ncn(-c2ccccc2)n1 92260651 LXAWBPQQQWUUGU-UHFFFAOYSA-N 205.286 2.130 0 40 BEAB CC(C)C[C@@H](C)N[C@@H](C)CC(=O)NC(C)C 95423363 BCTUEEDKFRXWMY-NEPJUHHUSA-N 228.380 2.314 0 40 BEAB COc1ccc(CNc2cn(C)nc2C)cc1F 95445311 UNURIUFTSVFWEZ-UHFFFAOYSA-N 249.289 2.488 0 40 BEAB Cn1cccc1[C@@H](O)c1cccc(F)c1 95727834 QRUWYTSROSPKNV-LBPRGKRZSA-N 205.232 2.246 0 40 BEAB CC(=O)NCc1ccnc(N2CCCCCC2)c1 96404689 PBWZWQGQZYAVPP-UHFFFAOYSA-N 247.342 2.098 0 40 BEAB O=C(OCCOc1cccnc1)c1ccsc1 96442238 HLLNRPFMHURMNU-UHFFFAOYSA-N 249.291 2.379 0 40 BEAB CCOC(=O)c1ncn(C2CCCC2)c1C 96524048 BQNMYRSQMBXJMM-UHFFFAOYSA-N 222.288 2.483 0 40 BEAB C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C1=CCCN1CCO 100531353 ZKIQIBMWSCOAME-ZJQBRPOHSA-N 221.344 2.251 0 40 BEAB COc1ccc(CN2CCN[C@@H]3CCC[C@H]32)cc1 218841526 PUTBBWFXENCFPK-HUUCEWRRSA-N 246.354 2.022 0 40 BEAB Cc1ccc(CNC(=S)Nc2cccnc2)o1 223905733 AEFJSLILZZJWCJ-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB Cc1ccc(C)c(OCCNC(=O)C(C)C)c1 224049499 QSRPXAAFYNQLLO-UHFFFAOYSA-N 235.327 2.454 0 40 BEAB CCNC(=O)c1ccc2oc(Cl)nc2c1 225973434 XHXPVMJLOZQTRM-UHFFFAOYSA-N 224.647 2.231 0 40 BEAB CCc1nn(C)c(C(N)=O)c1-c1ccccc1C 228946895 FRDSIPBWLMWJLJ-UHFFFAOYSA-N 243.310 2.057 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCCC[C@H]1C 248126406 XCUSXHHSDBPAFM-MNOVXSKESA-N 213.321 2.203 0 40 BEAB Cc1cccc(NC(=O)NC(=O)C(F)(F)F)c1 107991 NAHDUSPKENAEAE-UHFFFAOYSA-N 246.188 2.205 0 40 BEAB biogenic Nc1c(Cl)ncnc1Nc1ccc(O)cc1 1704403 YSJTYBAIQVKURD-UHFFFAOYSA-N 236.662 2.161 0 40 BEAB NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 2382148 SLEJXKUFLWYFLO-UHFFFAOYSA-N 225.116 2.083 0 40 BEAB CC(C)N1CCN(c2ccc(C=O)cc2)CC1 2458120 JIIVHMRWUCCJEI-UHFFFAOYSA-N 232.327 2.030 0 40 BEAB CN1c2ccccc2[C@]2(C)CC(=O)O[C@]12C 3164914 RPVZXOABUDPAMG-STQMWFEESA-N 217.268 2.057 0 40 BEAB CSc1ncccc1C(=O)NCc1ccco1 3371189 JMFHTZSBDYCESN-UHFFFAOYSA-N 248.307 2.327 0 40 BEAB O=C(O)c1c[nH]c(=S)n1-c1ccccc1 3888733 YXIZTCTXXDBABW-UHFFFAOYSA-N 220.253 2.233 0 40 BEAB in-vitro CCOCC(=O)N[C@H]1CCCc2ccccc21 4659312 AHOZVBKYRRNWPZ-ZDUSSCGKSA-N 233.311 2.217 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C=O 4826687 YNUVAJRGRQBLLB-GARJFASQSA-N 212.289 2.189 0 40 BEAB NCCC(=O)Nc1cc(Cl)cc(Cl)c1 11755268 MMTFIYIUMLTOJF-UHFFFAOYSA-N 233.098 2.281 0 40 BEAB CCS(=O)(=O)N[C@H]1CCCc2ccccc21 13939642 NCZRUPLOQLHCTN-LBPRGKRZSA-N 239.340 2.003 0 40 BEAB CCC[C@H]1NC(=O)N(Cc2ccc(C)cc2)C1=O 14736763 ANQXUOWHXHTVMF-GFCCVEGCSA-N 246.310 2.216 0 40 BEAB CCN(CC)Cc1ccc(C(=O)O)s1 16943905 XCULDPCOTWRRAU-UHFFFAOYSA-N 213.302 2.288 0 40 BEAB in-vitro O=C1Nc2ccc(-c3ccccc3)cc2C1=O 16948211 SCYQIRIBDBKXGG-UHFFFAOYSA-N 223.231 2.488 0 40 BEAB in-vitro Cc1cc(=O)nc(NN=C2CCCC[C@H]2C)[nH]1 17352424 ARUSYOXABALNOD-MRVPVSSYSA-N 234.303 2.056 0 40 BEAB C[C@H](c1ccc(Cl)cc1)N1CCNCC1 19735590 TXDDMVIATVZSAM-SNVBAGLBSA-N 224.735 2.306 0 40 BEAB in-vitro Cc1nn(CN2CCCCC2)c(=S)s1 20427162 PJQYESNPYKJLSH-UHFFFAOYSA-N 229.374 2.426 0 40 BEAB COc1ccc(Nc2ccncc2N)cc1 20584591 YPSPZODVPIEJQB-UHFFFAOYSA-N 215.256 2.416 0 40 BEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)C 32850688 AAPFRUAHWBLJMZ-UHFFFAOYSA-N 246.314 2.022 0 40 BEAB O=C(NC1CC1)c1snnc1-c1ccccc1 36364955 XQCOSJMNCUXWKC-UHFFFAOYSA-N 245.307 2.097 0 40 BEAB CC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362440 SWBRGYCXRGORSY-NWDGAFQWSA-N 202.253 2.314 0 40 BEAB CC(C)n1ncc(Cl)c(Cl)c1=O 39212811 CLYOFMSYTGWWHE-UHFFFAOYSA-N 207.060 2.131 0 40 BEAB COCC(=O)N[C@@H](C)Cc1ccccc1Cl 40107880 MVIVUOSLMANTQW-VIFPVBQESA-N 241.718 2.034 0 40 BEAB O[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 40412246 QFNYINOOGHNNRA-VIFPVBQESA-N 246.232 2.062 0 40 BEAB CC(C)(C)NCC(=O)NCCCc1ccccc1 40460360 ZGMJBTBRURTKLS-UHFFFAOYSA-N 248.370 2.124 0 40 BEAB OCc1cccc(OC(F)(F)C(F)F)c1 44198414 SZPYCYPGXDTXHL-UHFFFAOYSA-N 224.153 2.416 0 40 BEAB CC(C)CC(=O)N[C@H](C)Cc1ccco1 44443794 WRRJITKUQKNRHY-SNVBAGLBSA-N 209.289 2.373 0 40 BEAB CCCCC(=O)NC1(C(=O)OC)CCCCC1 44896368 YPQABQRDPPCASK-UHFFFAOYSA-N 241.331 2.169 0 40 BEAB C[C@H]1CCCN(CCCNC(=O)C(C)(C)C)C1 46958645 MPVQRFXOJFBXPC-LBPRGKRZSA-N 240.391 2.271 0 40 BEAB CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 49708376 STCVCYHAQNLPFA-OCCSQVGLSA-N 218.344 2.259 0 40 BEAB in-vitro CCNc1ncc(CNC(C)(C)CC)cn1 62717573 IRGRFYCJICYTIA-UHFFFAOYSA-N 222.336 2.187 0 40 BEAB NC[C@@H](O)c1ccc(-c2cccs2)cc1 71521344 HRAOLMOXQLRRSI-LLVKDONJSA-N 219.309 2.407 0 40 BEAB CC(C)CN1CCC[C@@H]1c1cnn(C)c1 71797189 JITXVPRJCLBRQU-GFCCVEGCSA-N 207.321 2.213 0 40 BEAB CC(C)CNc1ncccc1[C@H]1CCCN1C=O 72213242 STTVTRMBOVPTGR-CYBMUJFWSA-N 247.342 2.443 0 40 BEAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 72227330 AAZUWUNMNWDQID-UONOGXRCSA-N 238.290 2.102 0 40 BEAB C[C@H](c1ccccn1)N1CCOC(C)(C)C1 72312057 HTEJGLIZUXXIJC-LLVKDONJSA-N 220.316 2.253 0 40 BEAB COC(=O)CCCC(=O)c1ccc(N(C)C)cc1 74418376 YXRITGQMBQXUGQ-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB Cc1c2c(nc(Cl)c1C(=O)O)CCC2 82373023 FLFKFUGFOFMQRB-UHFFFAOYSA-N 211.648 2.230 0 40 BEAB CCCN1CCC(Nc2nc(C)ns2)CC1 83648381 FIZNVPRHVAXBGS-UHFFFAOYSA-N 240.376 2.133 0 40 BEAB C=C(C(=O)OC)c1ccc2c(c1)OC(F)(F)O2 91252163 QJFAUFZKJCHLCA-UHFFFAOYSA-N 242.177 2.194 0 40 BEAB c1cc([C@H]2CCCNC2)n(C2CCC2)n1 96509755 SATHZSSEKZVQIS-JTQLQIEISA-N 205.305 2.075 0 40 BEAB Cc1ccc(NC2CCC2)cc1S(C)(=O)=O 97084899 BAGXRSNSQWBUKY-UHFFFAOYSA-N 239.340 2.363 0 40 BEAB Cc1ccc(C(N)=O)cc1OCc1ccccn1 97148429 XZPNQIMQIJORRG-UHFFFAOYSA-N 242.278 2.068 0 40 BEAB O=C(C1=CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 98019370 ZOWLLORORZDOLK-QWHCGFSZSA-N 235.327 2.267 0 40 BEAB Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1 105673360 DFVYSXFNAAXTPS-MVWJERBFSA-N 247.342 2.340 0 40 BEAB CCOC(=O)c1ccc(O)c(OC(C)C)c1 167830970 BTKUBPAROCOBAA-UHFFFAOYSA-N 224.256 2.356 0 40 BEAB Cc1c(-c2cccc(F)c2)nc(N)n1C 199560312 OGSHKHWMPSPKDY-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB CC1(C)Oc2ccc(CCC(=O)O)cc2O1 203955557 GPVMUDIVLDALJD-UHFFFAOYSA-N 222.240 2.211 0 40 BEAB CCCC(=O)N1CCC(c2ncncc2C)CC1 205699418 DZZQHTSSEGUXDA-UHFFFAOYSA-N 247.342 2.291 0 40 BEAB CO[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225095244 GFVZVAATIQJBGV-SECBINFHSA-N 248.200 2.348 0 40 BEAB FCCCCCN1CCOC2(CCOCC2)C1 225467270 GIDKGBZVKDPDNF-UHFFFAOYSA-N 245.338 2.008 0 40 BEAB C[C@H](O)c1ccc(NC(=O)C(F)(F)F)cc1 226272679 TXDLKSOTCXULJI-LURJTMIESA-N 233.189 2.241 0 40 BEAB CC(C)n1ccnc1C(=O)[C@H]1CCCOC1 242548040 LAOUXJZCFPSTMX-JTQLQIEISA-N 222.288 2.073 0 40 BEAB Cc1cc(NCc2ccnn2C)nn1CC(C)C 256052168 MDYZGFSBCRKTET-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB Cc1cnccc1CN1CCC[C@@H]1CF 295993890 KMASQVVGXIOAJV-GFCCVEGCSA-N 208.280 2.324 0 40 BEAB CCCCn1ccc(COCC(F)F)n1 408716534 NYLIPFYVXMABFE-UHFFFAOYSA-N 218.247 2.465 0 40 BEAB CCCCn1ccc(Cl)c(C(=O)O)c1=O 575423399 MWKAMPKQUQHVHH-UHFFFAOYSA-N 229.663 2.000 0 40 BEAB CC(C)[C@@H]1COC(c2ccc3cccnc3n2)=N1 1911947634 MXGVSUNPVBKRCD-LBPRGKRZSA-N 241.294 2.431 0 40 BEAB CCN(C)CCC(=O)NCCCc1ccccc1 75612167 SKIFPUXOZWUTFM-UHFFFAOYSA-N 248.370 2.077 0 40 BEAB CCOCCCNCc1ccc(F)cc1 2923963 HGLNAHAPYWCNJL-UHFFFAOYSA-N 211.280 2.342 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccc(C)nc1 102941904 YLNYMJCDQMTDLL-BJMVGYQFSA-N 218.300 2.363 0 40 BEAB O=C(Nc1cccc(Cl)c1)c1ccc(O)nn1 545835 QPWCNDVZJNWKKW-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB Cc1cc(C)n(Cc2ccc(CN)cc2)n1 22163643 SXMXSNULEOKKED-UHFFFAOYSA-N 215.300 2.007 0 40 BEAB C[C@@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2 12394745 WMFULLMJQHHBFB-YFKPBYRVSA-N 248.204 2.036 0 40 BEAB O=C(NC1CCCCC1)c1ccc(Cl)nn1 37485489 PPYHYEOIRLHBGK-UHFFFAOYSA-N 239.706 2.193 0 40 BEAB CCOC(=O)c1nc(F)ccc1Br 47203042 HIJWTRLTQRTXJB-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB in-vitro COc1ccccc1/C=C1\SC(=O)NC1=O 1452319 LJEQHDQLEYCLSC-TWGQIWQCSA-N 235.264 2.019 0 40 BEAB CC(=O)Nc1nnc2c(c1C)C[C@H]1[C@H]2C1(C)C 103585783 OWPMCMVAYWHZBG-VHSXEESVSA-N 231.299 2.039 0 40 BEAB Cc1ccccc1[C@@H](CN)N1C[C@H](C)O[C@H](C)C1 22163990 KUIMRTKOXCKTBR-VNHYZAJKSA-N 248.370 2.104 0 40 BEAB c1nc(CN2CCO[C@H]3CCCC[C@@H]32)cs1 48231857 HTWUORNOPDEYPO-RYUDHWBXSA-N 238.356 2.287 0 40 BEAB CCOC(=O)c1ccc(C(=O)C(F)(F)F)o1 2579846 NCAOGPVUVXZUCU-UHFFFAOYSA-N 236.145 2.201 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1F 12916140 RQAABULGQRVVDE-ONGXEEELSA-N 221.275 2.406 0 40 BEAB CC(C)(C)NC(=O)c1ccc(NC2CC2)nc1 48965452 WEQPFJDBSAOJFA-UHFFFAOYSA-N 233.315 2.184 0 40 BEAB COc1ccc(C=O)cc1OCc1ccncc1 14001381 BWWZHMWPNJUHMG-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB COc1cccc(OCC[C@@H]2CCCNC2)c1 14632363 LBLPIBNKQRAJOI-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB Cc1cnn(C[C@H](C)NCc2ccc(C)o2)c1 69455551 DBKYISJZQQOUGC-NSHDSACASA-N 233.315 2.271 0 40 BEAB CCNC(=O)Cc1ccc(OCC(C)C)cc1 71882628 WPPSPPNQEUVJGU-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2n1C 97377807 VHVNIXDJXNEZLR-NXEZZACHSA-N 243.310 2.192 0 40 BEAB Clc1ccccc1OC[C@H]1CCNC1 38580768 GGZTUICODRRVKL-VIFPVBQESA-N 211.692 2.328 0 40 BEAB Cc1cc(C(=O)N2CCCCC2)nc(Cl)n1 72209259 TUXWRSVGFGXCQQ-UHFFFAOYSA-N 239.706 2.065 0 40 BEAB Cc1ccsc1CN(CC(=O)O)C(C)C 79421948 CGSGNYRZSYOHPE-UHFFFAOYSA-N 227.329 2.352 0 40 BEAB N=C(N)c1cc(C(F)(F)F)ccc1F 75847649 NUVNNKYZPXXDLP-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB Cc1cc(-c2nc3ccncc3[nH]2)ccn1 34463198 ZHWMDORZZALSDT-UHFFFAOYSA-N 210.240 2.328 0 40 BEAB CCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)OC)cc1 217817560 BVISVLOWLVLWLN-VXGBXAGGSA-N 232.279 2.241 0 40 BEAB CCOc1ccccc1N[C@H]1CCC[C@@H]1N 218878802 BQLSHFWMMQZGTA-QWRGUYRKSA-N 220.316 2.377 0 40 BEAB COc1ccc2oc(CN(C)C[C@@H](C)O)cc2c1 130810110 PLXHGMORVUGBRZ-SNVBAGLBSA-N 249.310 2.254 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](CN)[C@@H]12 225761592 ULMGXBABGMHAEG-SOYHJAILSA-N 237.265 2.185 0 40 BEAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Cl)cc1 229555991 SFOBGUYMDMJKQT-GWCFXTLKSA-N 239.746 2.243 0 40 BEAB c1nncn1C12CC3CC(CC(C3)C1)C2 45958035 VJFJXKVGOAYXIX-UHFFFAOYSA-N 203.289 2.203 0 40 BEAB CC(C)OC(=O)c1ccc(N2CCCC2)c(N)c1 225437472 ADOXEYXBFCACBR-UHFFFAOYSA-N 248.326 2.434 0 40 BEAB CN1[C@H]2CC[C@@H](C[C@H]3CCCNC3)[C@H]1CC2 242648922 RKQLJGHQRKPBDW-ZOBORPQBSA-N 222.376 2.249 0 40 BEAB O=C1Nc2cc(Br)ccc2[C@H]1F 257197753 IMDXQRBZJYAGPB-SSDOTTSWSA-N 230.036 2.412 0 40 BEAB CC(C)(C)[C@H]1Nc2ccccc2C[C@@H]1O 257198101 STBDCUBRSFVRPJ-RYUDHWBXSA-N 205.301 2.430 0 40 BEAB CCOC(=O)c1cccc(CNC2CC2)c1 685936902 BXBRKQNAAGSYOA-UHFFFAOYSA-N 219.284 2.115 0 40 BEAB CN(c1nnc(C(C)(C)C)o1)C1CCC1 882027482 UKJLZTKMQOUHFH-UHFFFAOYSA-N 209.293 2.356 0 40 BEAB CC1(C)CCC2(CCN(C3COC3)CC2)CO1 1615154304 FTVLMTBEZMTKEF-UHFFFAOYSA-N 239.359 2.056 0 40 BEAB C1CC[C@@H]2CCC[C@H](NC3=NCCO3)[C@H]2C1 5190182 ARGKDOYQHZOQEK-WOPDTQHZSA-N 222.332 2.321 0 40 BEAB CC1(C)COC(=O)[C@H]1OCc1ccccc1 5303317 VHSFUNYRPRTDAA-LLVKDONJSA-N 220.268 2.155 0 40 BEAB COC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12 5299853 GDINEBSEGYTQTL-SECBINFHSA-N 247.298 2.324 0 40 BEAB Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 11847740 ZEAAUHWIHMGPTC-UHFFFAOYSA-N 238.290 2.472 0 40 BEAB Cc1nccn1CC(=O)c1ccccc1 13281791 SKHPONDLDUHXLE-UHFFFAOYSA-N 200.241 2.074 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)Cn1cccn1 8844822 DBSLQMWJUSLVTJ-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB Cc1n[nH]cc1CNC[C@@H]1CC=CCC1 37989232 VNPQHEZBRCPVKI-LLVKDONJSA-N 205.305 2.164 0 40 BEAB C[C@@H](c1cccs1)N(C)C(=O)Cn1cccn1 73025454 LIKRKPOJWDCVLF-JTQLQIEISA-N 249.339 2.164 0 40 BEAB Cc1n[n+]2c(-c3ccccc3)ccnc2s1 124381 WMILAMNQUDGGDS-UHFFFAOYSA-N 228.300 2.252 0 40 BEAB CCc1cc(C(=O)O)nn1-c1ccccc1 11802018 JXNJWWCPXGUPQR-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB CC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cn1 1358438 GQZOFOAKULFHIA-UHFFFAOYSA-N 247.298 2.025 0 40 BEAB COc1ccccc1C1(CC(=O)O)CC1 41214545 VPFSKUSLRJKBEC-UHFFFAOYSA-N 206.241 2.202 0 40 BEAB CC[C@@H]1CN1CCC(=O)Nc1ccccc1 4776084 OGENXPMAUQAXEF-KEKZHRQWSA-N 218.300 2.109 0 40 BEAB Cc1ccc(-c2nc(C)cc(NCCN)n2)cc1 8731094 XOPDWAUBIKWTGS-UHFFFAOYSA-N 242.326 2.131 0 40 BEAB O=C(Nc1cccc(O)c1)c1cscn1 41506911 VOUHLUDJLPPSGM-UHFFFAOYSA-N 220.253 2.101 0 40 BEAB Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)cn1 47557173 HTAGXMLXFOLLRR-GFCCVEGCSA-N 230.311 2.363 0 40 BEAB CCC(C)(C)NC(=O)Nc1cccnc1 34413139 RMVGUNWFVFEXJI-UHFFFAOYSA-N 207.277 2.392 0 40 BEAB CSc1cccc(NC(=O)Cn2ccnc2)c1 29594139 GGQMSDZPBRRALD-UHFFFAOYSA-N 247.323 2.244 0 40 BEAB CC[C@H]1CN(Cc2ccccc2)CCC1=O 57467148 JUSKDLRMHAPHCU-ZDUSSCGKSA-N 217.312 2.488 0 40 BEAB in-vitro CCN1CCC[C@H]1CNCCc1ccccc1 35805096 LYPICULWQSVURF-HNNXBMFYSA-N 232.371 2.303 0 40 BEAB CCn1c(CN)nc2ccc(Cl)cc21 53994590 QKUSRORYAZHCLI-UHFFFAOYSA-N 209.680 2.168 0 40 BEAB c1ccc(CCCN2CC(n3cccn3)C2)cc1 72267684 JRJGTFQNTVDWLF-UHFFFAOYSA-N 241.338 2.373 0 40 BEAB NC[C@H](c1c[nH]c2ncccc12)C(F)(F)F 22170832 FCUGDENPKOENIB-MRVPVSSYSA-N 229.205 2.168 0 40 BEAB CC(C)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12894276 IKVZVDKVMYHZDX-UHFFFAOYSA-N 246.310 2.173 0 40 BEAB c1ccc(-c2nc([C@@H]3CCCNC3)no2)cc1 60393380 RFNUNTOBFIYXAW-LLVKDONJSA-N 229.283 2.204 0 40 BEAB Fc1ccc(Cl)c(O[C@H]2CCNC2)c1 14632300 YCMIZKNHAYASTC-QMMMGPOBSA-N 215.655 2.220 0 40 BEAB COc1nc2cc(C)ccc2cc1C(=O)O 26440685 UYMZFUBAFMALJD-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(C)no2)c1 69592315 AWCYJSSYZUXHEV-VXGBXAGGSA-N 248.330 2.227 0 40 BEAB O=C(CCc1ccc2ccccc2n1)NC1CC1 82263950 AZEHQQCSVIWHJW-UHFFFAOYSA-N 240.306 2.446 0 40 BEAB c1ccc2c(Cc3nc(C4CC4)no3)n[nH]c2c1 96405262 XJHOQCUMCJVSFW-UHFFFAOYSA-N 240.266 2.414 0 40 BEAB Cc1nn(C)cc1CN(C)[C@H](C)c1ccccn1 97113664 FEJWRKGYBVZFGQ-GFCCVEGCSA-N 244.342 2.317 0 40 BEAB COCCN1CC=C(c2cccc(OC)c2)CC1 89414132 BPORLEICFJFUBM-UHFFFAOYSA-N 247.338 2.431 0 40 BEAB c1cc(N2CCCCC2)ncc1[C@H]1CCCN1 72216025 GOHDQMYWCRPNLN-CYBMUJFWSA-N 231.343 2.496 0 40 BEAB CN1CCC[C@H](Cc2ccc(Cl)nn2)CC1 72343828 OLGMPPNIMUBFLS-JTQLQIEISA-N 239.750 2.404 0 40 BEAB Cc1cc(C)c2cc(C(N)=O)[nH]c2c1C 32901375 WOTWYMNWRLBYIZ-UHFFFAOYSA-N 202.257 2.192 0 40 BEAB O=C1OCCC12CCN(Cc1ccccc1)CC2 38591291 TWZHOZUPYHHCBZ-UHFFFAOYSA-N 245.322 2.216 0 40 BEAB CCOC(=O)c1c(C)n[nH]c1C1CCC1 72220730 AVEFOMZHNGJWLY-UHFFFAOYSA-N 208.261 2.162 0 40 BEAB Cc1c(Br)ccc(N)c1F 75926535 LVCXMVREXQEQFX-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB in-vitro NC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1 35059416 XDUXPLKQTQDNTP-UHFFFAOYSA-N 245.257 2.250 0 40 BEAB CC[C@@H](O)c1cnc(N(C)CC)c(C)c1 72222201 JAIWVIQOINHHPB-LLVKDONJSA-N 208.305 2.290 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1COc2ccccc2C1 47833513 FDQNCMVCDPEIMF-MDZLAQPJSA-N 245.322 2.010 0 40 BEAB O=C(O)c1cnccc1NC1CCCC1 88109634 KCIBOMJBGLNXSP-UHFFFAOYSA-N 206.245 2.134 0 40 BEAB CCCCn1cc(C(=O)O)c(Br)n1 85392316 ZGORQGZPQQZKDL-UHFFFAOYSA-N 247.092 2.144 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@H](O)C1 191050280 FOLWJPWTGNESSN-AVGNSLFASA-N 209.333 2.045 0 40 BEAB C[C@H]1CC[C@@H](C(=O)N2CCCCCCC2)O1 89922817 BWYZGCWZGPBRDJ-RYUDHWBXSA-N 225.332 2.347 0 40 BEAB O=c1[nH]c2ccc(F)cc2cc1Br 96517577 RWTJOVSUFGTPGK-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB CCOC(=O)c1nn([C@@H](C)CC)c(N)c1Cl 95094665 OVVMOXIPAILYDQ-LURJTMIESA-N 245.710 2.266 0 40 BEAB COC(=O)c1c(OC)c(C)nc2ccccc12 95093169 DKHMKLNHPTZUGJ-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB Cc1ccc(-c2[nH]ccc2S(C)(=O)=O)cc1 96532680 RICAIXMWRPLHCS-UHFFFAOYSA-N 235.308 2.394 0 40 BEAB CO[C@H](C)CCOC(=O)c1ncoc1C(C)C 96442909 ICPSIMAIHCTVED-SECBINFHSA-N 241.287 2.380 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 242543439 KAAUCJZOUPNSRN-AXMZGBSTSA-N 205.179 2.350 0 40 BEAB CCCC[C@@H](C)C(=O)N1CCOCC[C@@H]1C 252498973 RRZDFCGNBDERKA-NEPJUHHUSA-N 227.348 2.450 0 40 BEAB CCc1nsc(N2CCC[C@@H]3C[C@@H]32)n1 521394192 WHUBWSQVFXDBJD-SFYZADRCSA-N 209.318 2.089 0 40 BEAB OC1CCN(c2snc3ccccc23)CC1 58344783 VEDXNUHWYFOOIU-UHFFFAOYSA-N 234.324 2.257 0 40 BEAB Brc1cncc(-n2cccn2)c1 72192785 QSBMUGHGWPSMLJ-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB in-vitro CCc1noc(-c2ccc(C)c(NC(N)=O)c2)n1 79850723 UWMFPSATUZNBAS-UHFFFAOYSA-N 246.270 2.098 0 40 BEAB COc1ccc(OC)c(NC(=O)C2CCC2)c1 363635 RJOFFLXFRCDEGY-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB COC(=O)c1cc(C(F)F)ccc1OC 260022785 KDNNLELUCOKGJF-UHFFFAOYSA-N 216.183 2.419 0 40 BEAB CC(=O)Nc1cc2c3c(c1)CCCN3CCC2 5498722 HDMRNHVZGBSKQV-UHFFFAOYSA-N 230.311 2.344 0 40 BEAB COc1ccc(CNCC(C)C)cc1OC 5817285 CZGBBCBWPBHKGS-UHFFFAOYSA-N 223.316 2.449 0 40 BEAB CC(C)=C[C@H]1C=C(C)[C@H](C)[C@H]2C(=O)NC(=O)[C@H]12 12652578 QIHKOLSLJMRHDJ-NNYUYHANSA-N 233.311 2.054 0 40 BEAB CC(C)[C@@H](NCc1ccccc1F)C(=O)O 19787741 DVKGSFRTYMCTCD-LLVKDONJSA-N 225.263 2.025 0 40 BEAB CN1CCC(CC(=O)N2CCCCCC2)CC1 74920981 PQYLJVPRZAKNKR-UHFFFAOYSA-N 238.375 2.121 0 40 BEAB COCCNC(=O)/C=C/c1ccc(Cl)s1 40032217 SIYLFNBEEGCRKO-HWKANZROSA-N 245.731 2.177 0 40 BEAB CN(C)CCNc1cccc(Br)c1 20051817 NTMUDWQRSUZEMP-UHFFFAOYSA-N 243.148 2.423 0 40 BEAB in-vitro CO[C@H]1C(C)=C(C)C(=O)N1C1CCCCC1 20169507 CEEBMSBLQYSBES-ZDUSSCGKSA-N 223.316 2.470 0 40 BEAB O=C(NCCCOC1CCCCC1)C1CC1 40465488 UATQOYPSXYRGDC-UHFFFAOYSA-N 225.332 2.252 0 40 BEAB CC(C)C(=O)Nc1ccc2c(c1)OCO2 341219 RYSGOAPHCXQSDW-UHFFFAOYSA-N 207.229 2.010 0 40 BEAB Cc1cc(N2CCN(C)CC2)c2ccccc2n1 338729 CPWZBTGCZZXKKY-UHFFFAOYSA-N 241.338 2.295 0 40 BEAB O=C(O)Cc1ccc2c(c1)Cc1cccnc1O2 1564118 KFCLXFOOVXFBNL-UHFFFAOYSA-N 241.246 2.405 0 40 BEAB Nc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1-2 1592602 SRXPKZIGEZGBJG-UHFFFAOYSA-N 239.230 2.178 0 40 BEAB CCCCc1ccc(NS(C)(=O)=O)cc1 2181341 SVJZRKCJFGDRRG-UHFFFAOYSA-N 227.329 2.401 0 40 BEAB CC(C)(C)C(=O)COC(=O)c1ccccc1O 3342339 ABEVGGNKBZIXKN-UHFFFAOYSA-N 236.267 2.164 0 40 BEAB C[C@H](NC1CCN(C)CC1)c1ccccc1 4569266 FZLJYZIIGQDRRX-LBPRGKRZSA-N 218.344 2.431 0 40 BEAB CCOCC(=O)Nc1cc(Cl)ccc1OC 4685278 NTIBHFVIJVRZLQ-UHFFFAOYSA-N 243.690 2.324 0 40 BEAB COc1cc2c(c(OC)c1OC)CCCC2=O 5411033 WJEXEEMYPRLYDI-UHFFFAOYSA-N 236.267 2.231 0 40 BEAB CC(=O)c1ccccc1-n1cccc1C=O 8702371 UIAKVTGGTLVIDS-UHFFFAOYSA-N 213.236 2.492 0 40 BEAB CC(C)(C)c1cnnn1-c1ccc(C(=O)O)cc1 9517202 UOGUXQYWBOBRKO-UHFFFAOYSA-N 245.282 2.263 0 40 BEAB CCc1ccc(NC(=O)/C(C)=C\C(=O)O)cc1 11566355 HBAQBIDLFGHHKV-HJWRWDBZSA-N 233.267 2.218 0 40 BEAB Cn1ncc2c(N3CCCCCCC3)ncnc21 12485107 LJPXTYRJSWEVGT-UHFFFAOYSA-N 245.330 2.134 0 40 BEAB Fc1ccc2[nH]cc([C@H]3CCNC3)c2c1 13806191 ZWQBLJKCRPTUSP-QMMMGPOBSA-N 204.248 2.384 0 40 BEAB CCCC(=O)c1ccc(OCCO)cc1 19075604 ANNCLQUBGMYXOY-UHFFFAOYSA-N 208.257 2.041 0 40 BEAB Oc1nnc(C2CC2)cc1C(F)(F)F 20285798 MJWXOHWAAFYMCF-UHFFFAOYSA-N 204.151 2.078 0 40 BEAB in-vitro CCCNC(=O)c1cc2ccccc2[nH]1 20904065 XSYTWAIMBQTTAN-UHFFFAOYSA-N 202.257 2.308 0 40 BEAB CCOc1ccc(C(=O)Nc2ccn(C)n2)cc1 22475690 FPFSOFMPPLGRHB-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB COc1ccc([C@H]2C[C@H]2C(C)=O)c(OC)c1 31829281 XSDYVJPZXXGBHN-NWDGAFQWSA-N 220.268 2.396 0 40 BEAB Cc1nc(-c2cccc(NC(=O)CN)c2)cs1 34981066 PLFMLIABLFGFGN-UHFFFAOYSA-N 247.323 2.016 0 40 BEAB O=C(Nc1cn[nH]c1)c1cccc(Cl)c1 35237526 TVQBFEQXWVYNOY-UHFFFAOYSA-N 221.647 2.315 0 40 BEAB C[C@@H]1C[C@H](N2CCCc3ccccc32)C(=O)O1 36396608 YWQFJMKZRJTAKW-MFKMUULPSA-N 231.295 2.143 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2cccc(C)c21 36720805 UYTONSTURULJDR-UHFFFAOYSA-N 231.251 2.028 0 40 BEAB C[C@H](NCCN)C12CC3CC(CC(C3)C1)C2 37712443 LOHUAMCHNGBEBX-MWKHJINRSA-N 222.376 2.140 0 40 BEAB CC[C@](C)(NCc1ccccc1)C(=O)OC 37952478 VWZJRJFDEGQECF-ZDUSSCGKSA-N 221.300 2.118 0 40 BEAB C[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 38101385 WDXGFCJXRXEWOQ-IUCAKERBSA-N 240.734 2.207 0 40 BEAB CC1(C)Cc2oc3c(S)ncnc3c2CO1 39321609 RWEAPDHBPXHDQD-UHFFFAOYSA-N 236.296 2.363 0 40 BEAB CC(C)CSCC(=O)N1C[C@H](C)O[C@@H](C)C1 40456872 GUAKJPKCIFVRPO-QWRGUYRKSA-N 245.388 2.011 0 40 BEAB C[C@@H](NC(=O)c1csc2ccccc12)C(=O)O 42880828 UEWFZNQZNDTYLJ-SSDOTTSWSA-N 249.291 2.104 0 40 BEAB CCCC[C@H](CC)CN1CCCNCC1 43454335 AJNBJXDYOHWIEI-ZDUSSCGKSA-N 212.381 2.498 0 40 BEAB O=C(CCc1ccsc1)N1CCSCC1 49208985 XBWKTDVGLUCGTD-UHFFFAOYSA-N 241.381 2.256 0 40 BEAB Cn1ncc2c1NC(=O)C[C@H]2c1ccc(F)cc1 66091398 LZRYDSRIXOGDJB-JTQLQIEISA-N 245.257 2.033 0 40 BEAB Cc1cnn(C[C@@H](C)NCc2ccc(C)o2)c1 69455552 DBKYISJZQQOUGC-LLVKDONJSA-N 233.315 2.271 0 40 BEAB CC(C)c1ccc(CN2C[C@@H](CO)CC2=O)cc1 70493676 BTFVBGZXKRFIGX-ZDUSSCGKSA-N 247.338 2.151 0 40 BEAB CSCc1nnc(S[C@@H](C)C(C)=O)o1 71843828 YXXCGTDVAWTGNI-LURJTMIESA-N 232.330 2.002 0 40 BEAB O[C@@H]1CCCc2c1cnn2-c1ccccc1 72206536 LDTYNSSHYDLPGW-CYBMUJFWSA-N 214.268 2.242 0 40 BEAB CCOCCC(=O)NC[C@@H](C)c1ccsc1 73371030 XYIPQIYZXCPPAO-SNVBAGLBSA-N 241.356 2.394 0 40 BEAB C[C@H](C(=O)O)N1CCc2ccc(Cl)cc2C1 82791314 XJUWWICONBBZQF-MRVPVSSYSA-N 239.702 2.171 0 40 BEAB COc1c(F)cccc1C[C@@H]1CCCN1 82949188 BBKSKPKJGYHGBQ-JTQLQIEISA-N 209.264 2.129 0 40 BEAB COC(=O)c1cc(-c2sc(C)nc2C)on1 83161868 KEMNSDWVDVYDFJ-UHFFFAOYSA-N 238.268 2.202 0 40 BEAB COc1cccc(N[C@@H](CN)C(C)(C)C)c1 83774028 KLGQQFHWLZYINH-LBPRGKRZSA-N 222.332 2.481 0 40 BEAB in-vitro NCCC(=O)N1CC2(CCCC2)c2ccccc21 83885997 UDKVYWVLNVAPKG-UHFFFAOYSA-N 244.338 2.194 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCS2)C1 95404068 ASXBGDCXNBEYGB-MXWKQRLJSA-N 227.373 2.387 0 40 BEAB N[C@@H](CCc1cccc(Cl)c1Cl)C(=O)O 95749206 HWWKPLFALLBQGB-QMMMGPOBSA-N 248.109 2.338 0 40 BEAB CC(C)CC(=O)N1CCC2(CCCN2C)CC1 96227871 ICNKTRTUGCEFRS-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB Cc1nc(Cl)cc(N[C@@H](CCO)C(C)C)n1 96429767 QFGIJHCQKSASIP-VIFPVBQESA-N 243.738 2.257 0 40 BEAB COc1cc(OC(F)F)c(C(=O)O)s1 96510874 DUPYFWZVWXLOJK-UHFFFAOYSA-N 224.184 2.056 0 40 BEAB C[C@@H]1CN(Cc2cccc(O)c2)C(C)(C)CO1 97139400 BGKAKNWJGDXPAZ-LLVKDONJSA-N 235.327 2.392 0 40 BEAB CC(C)(C)OC(=O)N1CC(=C(F)F)C1 97455142 UMEWESQQNZDPMM-UHFFFAOYSA-N 205.204 2.388 0 40 BEAB CO/C=C(/F)C(=O)Nc1ccc(F)cc1 98175030 GVIRICKNXCVLSN-RMKNXTFCSA-N 213.183 2.222 0 40 BEAB C/C(O)=C/c1nc2ccccc2nc1O 101882741 SJCDLTSFZSEESI-SREVYHEPSA-N 202.213 2.254 0 40 BEAB C[C@@H](N)C(=O)N(CC1CCC1)c1ccccc1 119180876 LSAGMIMILQOJFJ-LLVKDONJSA-N 232.327 2.167 0 40 BEAB COc1cc([C@@H]2CCNC(=O)C2)ccc1Cl 199779465 JIOAMSIUWWAQND-SECBINFHSA-N 239.702 2.342 0 40 BEAB N[C@@H]1CCC[C@@H]1Nc1cc(F)ccc1F 218882436 XCPUZSHCBZMRPF-ZJUUUORDSA-N 212.243 2.257 0 40 BEAB Cc1ccc(CNC(=O)c2cnc(C)nc2)cc1 222586581 RPHYJBDQHWVADL-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB c1ccc(CN2CCc3cncnc3C2)cc1 225655693 PPYMYPRBWSIAIW-UHFFFAOYSA-N 225.295 2.035 0 40 BEAB CC(C)C(=O)Nc1cc(N)ccc1N1CCCC1 226255449 JVZJUASEUGJQEG-UHFFFAOYSA-N 247.342 2.464 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]3C=C[C@@H](C3)[C@H]12 252504426 BCXDKAVVMHYQOS-AXMZGBSTSA-N 203.163 2.126 0 40 BEAB CCCOCc1ccnn1CC(F)(F)F 408715388 BCQNNSUTGMQXNM-UHFFFAOYSA-N 222.210 2.372 0 40 BEAB C[C@@H]1Cc2c(N)ccc(Br)c2O1 616567658 KNWSNSAAZFCILZ-RXMQYKEDSA-N 228.089 2.355 0 40 BEAB CO[C@H]1CN(C2CCCCC2)C[C@@]12CCCO2 2037849911 LEBQBUABWWYDGP-KBPBESRZSA-N 239.359 2.199 0 40 BEAB C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1 721 SLRCCWJSBJZJBV-BYNSBNAKSA-N 234.387 2.345 0 40 BEAB in-vitro CC(C)C[C@H]1NC(=O)N(c2ccccc2)C1=O 36421 YEMHYRVDNYBATH-LLVKDONJSA-N 232.283 2.158 0 40 BEAB C[C@H]1Cn2c(nnc2-c2cccc(O)c2)S1 109429 QIFXHKWRDDZATG-ZETCQYMHSA-N 233.296 2.145 0 40 BEAB Cc1cc2nc(C)c3c(n2n1)CCCC3 1390387 JZRXTYNNCIGXPH-UHFFFAOYSA-N 201.273 2.225 0 40 BEAB O=c1oc(-c2ccccc2)nc2c1CCS2 1582628 KMPNUWBTHIPUOT-UHFFFAOYSA-N 231.276 2.350 0 40 BEAB O=C(O)c1cccc2c1-c1ccccc1[C@H]2O 1602362 KPCFAKDCVIBJCB-CYBMUJFWSA-N 226.231 2.447 0 40 BEAB Clc1ccc(Cl)c(OCC2=NCCN2)c1 1668933 RBVQMIZSMFCDGO-UHFFFAOYSA-N 245.109 2.374 0 40 BEAB O=C(O)C[C@@H](CCCc1ccccc1)C(=O)O 1706001 ZZJMHFGRUXTWRG-LLVKDONJSA-N 236.267 2.185 0 40 BEAB Cc1cc(-c2ccc(Cl)cc2)[n+](C)n1C 1852042 MBLOZKAEENXCNE-UHFFFAOYSA-N 221.711 2.478 0 40 BEAB N[C@H](CC(=O)O)c1cc(Cl)ccc1Cl 2586111 NZAOZOHLJPIBII-MRVPVSSYSA-N 234.082 2.468 0 40 BEAB CC(C)[C@H](O)[C@@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845873 QJANQSIODSCOQO-GBIKHYSHSA-N 244.331 2.052 0 40 BEAB biogenic O[C@@H]1[C@@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1C2 4340026 LGLZRUQGFUJOOH-MLGHIDQZSA-N 210.317 2.089 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)c1cccnc1 4666530 SIJBEDJNWKDAJV-CMPLNLGQSA-N 218.300 2.390 0 40 BEAB CC[C@@H]1Oc2ccc(Cl)cc2NC1=O 4671643 ISZNNCJTDKUOOM-QMMMGPOBSA-N 211.648 2.450 0 40 BEAB Cc1cnc(NC(=O)c2ccccc2N)s1 5615781 MNLUCEOGEUYYPX-UHFFFAOYSA-N 233.296 2.286 0 40 BEAB CNC(=O)CSc1nc2ccccc2s1 6169464 PJKDXXAONUYZDW-UHFFFAOYSA-N 238.337 2.134 0 40 BEAB O=C(NC1CC1)c1ccc2ccccc2c1O 9643114 LPDRYBYCPFVRAB-UHFFFAOYSA-N 227.263 2.438 0 40 BEAB CCOC(=O)N(C)Cc1nc2ccccc2[nH]1 10381646 DWKAZAFUGLXSDV-UHFFFAOYSA-N 233.271 2.151 0 40 BEAB CCOc1ccc(C[C@@H](C)C(=O)O)cc1 11976564 UVCZHRCJBBFDBB-SECBINFHSA-N 208.257 2.349 0 40 BEAB CCNC(=S)Nc1cc(C)cc(C)n1 13837820 XZPGHNPZZVRREI-UHFFFAOYSA-N 209.318 2.005 0 40 BEAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccon2)cc1 16973173 GNLROFZFUYMNRI-JTQLQIEISA-N 246.266 2.389 0 40 BEAB Cc1cccc(OC[C@@H]2CN2C(C)C)c1 19853652 XSYUAWLBBBDAQW-NBFOIZRFSA-N 205.301 2.466 0 40 BEAB C[C@H](N)c1ccc(-n2cccn2)c(F)c1 19872809 MJZHEFWTFQBKHO-QMMMGPOBSA-N 205.236 2.031 0 40 BEAB C1CCC(CNCCN2CCCC2)CC1 20126780 QGBUXUMISNANLD-UHFFFAOYSA-N 210.365 2.252 0 40 BEAB COCCCN[C@H](C)c1cccc(OC)c1 20142437 UUPAPDXVQJLLFQ-LLVKDONJSA-N 223.316 2.382 0 40 BEAB CCONC(=O)Cc1c(C)[nH]c2ccccc12 24663697 HPQNJZVLWGNONQ-UHFFFAOYSA-N 232.283 2.087 0 40 BEAB COCCC(=O)Nc1ccc(N2CCCC2)cc1 28306159 AWDDWMXPFDHXJK-UHFFFAOYSA-N 248.326 2.262 0 40 BEAB CC[C@@H](C)C(=O)N1CCN(C2CCCC2)CC1 32787992 VSMCKMFNMYCSEL-GFCCVEGCSA-N 238.375 2.119 0 40 BEAB O=C(O)CN(Cc1cccc(Cl)c1)C1CC1 33468813 MTPRUNUIPIQRJY-UHFFFAOYSA-N 239.702 2.389 0 40 BEAB CCOC(=O)c1cn(C)nc1-c1ccccc1 34204231 ZFNKDMFAIFMIHW-UHFFFAOYSA-N 230.267 2.264 0 40 BEAB COc1ccccc1OCCC1CCNCC1 34972611 HJGHGEOBNQPSII-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1 35237536 VWZHDCOELKJRON-UHFFFAOYSA-N 221.647 2.315 0 40 BEAB CCn1cc(Nc2ccc(C)cn2)cn1 35781475 KDCCYZIYHUXGOR-UHFFFAOYSA-N 202.261 2.350 0 40 BEAB O=C([C@@H]1Cc2ccccc2O1)N1CCCCCC1 36393272 NLNWDJASSDAIMX-AWEZNQCLSA-N 245.322 2.393 0 40 BEAB COc1ccc([C@@]2(C)NC(=O)[C@@H](C)S2)cc1 39377188 XTAYNBMLZNSPDT-PELKAZGASA-N 237.324 2.119 0 40 BEAB COCc1cccc(CNC(=O)C2CCC2)c1 40108426 SAEOWZMOLJGISY-UHFFFAOYSA-N 233.311 2.249 0 40 BEAB CC[C@H]1c2ccsc2CCN1C(=O)NC 40490191 VFPBEEVFTYTURF-VIFPVBQESA-N 224.329 2.397 0 40 BEAB Cc1ccc(CNC(=O)CC(C)(C)C)cn1 47557035 RZJNYPRRCXJXKH-UHFFFAOYSA-N 220.316 2.442 0 40 BEAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCO1 49940467 HSGMJJFPEWFTBR-ZWNOBZJWSA-N 249.310 2.051 0 40 BEAB CCO[C@H](C)C(=O)NCc1sccc1C 58330593 JLOFDTUGOQUDQB-SECBINFHSA-N 227.329 2.098 0 40 BEAB Cc1ccc(-c2noc([C@@H]3CCNC3)n2)cc1F 62119628 BIURJNNTYAGZOQ-SNVBAGLBSA-N 247.273 2.261 0 40 BEAB CN(C)CCN(C(=O)C1CCC1)c1ccccc1 63829568 KCFLJUIQBOODNZ-UHFFFAOYSA-N 246.354 2.381 0 40 BEAB CCc1nnc(COc2ccc(F)cc2F)o1 65586197 ALSLUKPELJKLOJ-UHFFFAOYSA-N 240.209 2.489 0 40 BEAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccccn2)c1 69899403 DKKVRUQSHZZPOY-STQMWFEESA-N 244.342 2.326 0 40 BEAB Cc1ccc(C(=O)N2CCSC2)cc1 71847169 GLIDPXFCJJXPNG-UHFFFAOYSA-N 207.298 2.142 0 40 BEAB Cc1cccc(Cn2nnnc2C(C)(C)C)c1 72001971 DRJCDBPMVQBIPM-UHFFFAOYSA-N 230.315 2.327 0 40 BEAB CCN(CC)c1nnc(Br)s1 72115338 FGYQDBJISVECEF-UHFFFAOYSA-N 236.138 2.147 0 40 BEAB COC(=O)CCc1cccc(OC(F)F)c1 78406303 UUINUHAPOHPTQR-UHFFFAOYSA-N 230.210 2.394 0 40 BEAB CCCc1cc(C(=O)OCc2ccco2)[nH]n1 78442138 ILYXCXZWJJMOPW-UHFFFAOYSA-N 234.255 2.312 0 40 BEAB CC(C)COc1cncc(NCc2ccon2)n1 84544470 DENUOPMVGYNUMC-UHFFFAOYSA-N 248.286 2.112 0 40 BEAB COC(=O)c1n[nH]c2cccc(C(F)(F)F)c12 89195778 IQEJOURLXRKJDA-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB O=C([C@@H]1CCCOC1)N1CC[C@@H]2CCCC[C@@H]21 89818691 VXMDLWLMHWTWQH-XQQFMLRXSA-N 237.343 2.204 0 40 BEAB CC(C)(C(N)=O)c1ccccc1C(F)(F)F 94992603 YIXSLNQMBPPRON-UHFFFAOYSA-N 231.217 2.468 0 40 BEAB Cc1cc(NC(=O)N2CCC=C(F)C2)no1 96013170 QBUCEDDXKOFZJO-UHFFFAOYSA-N 225.223 2.074 0 40 BEAB Cc1nccc(Nc2ccc3[nH]ncc3c2)n1 97009495 RHIVDPISJPTIEP-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB CCOC(CN1CCC2(CCC2)C1)OCC 97094928 JTCSXDWYNOTNMH-UHFFFAOYSA-N 227.348 2.262 0 40 BEAB CC(C)(C)c1noc(NCc2cscn2)n1 97231718 ZKDDWMNFTPGVSI-UHFFFAOYSA-N 238.316 2.436 0 40 BEAB CCc1ccsc1C(=O)Nc1cnccn1 97379835 RCEODABCBSFZNM-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB CC(C)C[C@H](CO)CNC(=O)OC(C)(C)C 98210199 WCYJANVXBIHYCS-JTQLQIEISA-N 231.336 2.166 0 40 BEAB in-vitro CCOC(=O)[C@H](C)C1CCC2(CC1)OCCO2 115445392 DWRLLLQZGGECMA-SNVBAGLBSA-N 242.315 2.119 0 40 BEAB COC(=O)c1ccccc1C(=O)C(C)C 196102549 CRHREDFYKZPTKQ-UHFFFAOYSA-N 206.241 2.312 0 40 BEAB Cc1ccc(C)c(-c2oncc2CO)c1 409421931 ACHGFUWSMACOIO-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB C[C@@H]1[C@@H](O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 575447692 GRGUTZRHELOISE-GBIKHYSHSA-N 241.331 2.014 0 40 BEAB COc1ccc(C(=S)N2CCCC2)cc1 355351 BDSQCHIHUIYHFI-UHFFFAOYSA-N 221.325 2.467 0 40 BEAB CC(C)C(=O)OCCN(C)CCc1ccccc1 1676420 ADVIDGRTGZVHRZ-UHFFFAOYSA-N 249.354 2.360 0 40 BEAB O=C(O)COc1c(F)cc(F)cc1Cl 1706129 SZCLFLYFEMIZTK-UHFFFAOYSA-N 222.574 2.082 0 40 BEAB COc1cccc(CN2CCCC[C@H]2C(=O)O)c1 3754743 FSNSOIRVTRIDGK-ZDUSSCGKSA-N 249.310 2.134 0 40 BEAB C=C1CC(=O)N(c2ccccc2Cl)C1=O 5157395 NYXCRPZXZIXDHV-UHFFFAOYSA-N 221.643 2.160 0 40 BEAB CCn1c2ccccc2n2c(=S)[nH]nc12 5422433 FTTCCTYOFDPNFS-UHFFFAOYSA-N 218.285 2.366 0 40 BEAB CCOc1ccccc1-c1cc(N)[nH]n1 5525856 GLPUVPKXMFGLJP-UHFFFAOYSA-N 203.245 2.058 0 40 BEAB Cc1ccc(/C=C/C(=O)Nc2nncs2)cc1 5539904 TUHXATQMBUWWEZ-VOTSOKGWSA-N 245.307 2.498 0 40 BEAB O=C1OC2=C(c3ccccc3)CCC[C@H]2C1=O 8619232 JNPPJDSJNWSZNF-NSHDSACASA-N 228.247 2.324 0 40 BEAB CCOC(=O)CCCn1ccc(C2CC2)n1 12396231 IQNWCBRQICTPDN-UHFFFAOYSA-N 222.288 2.104 0 40 BEAB CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 13011746 JWMDRRQNALENEU-BXKDBHETSA-N 246.310 2.031 0 40 BEAB O=C(c1cc(C2CC2)on1)N1CCCCC1 13363697 MEVFUFPKAYEKNM-UHFFFAOYSA-N 220.272 2.178 0 40 BEAB Oc1cccc(O)c1-c1c(O)cccc1O 13377064 HXBBWWNXODCSPT-UHFFFAOYSA-N 218.208 2.176 0 40 BEAB biogenic CCC(CC)NC(=O)[C@@H]1CNc2ccccc2O1 19423278 XSLBJRMZHBADGW-ZDUSSCGKSA-N 248.326 2.164 0 40 BEAB in-vitro CCc1c(-c2ccc(OC)cc2)n[nH]c1N 19688923 SODUSUVSIWPZFO-UHFFFAOYSA-N 217.272 2.230 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)CC(C)C 28227836 MIIPUVGYUTUIRE-UHFFFAOYSA-N 209.293 2.022 0 40 BEAB Nc1ccc(NC2CCCC2)c(C(=O)O)c1 37930167 IBUXPONNIJLYLJ-UHFFFAOYSA-N 220.272 2.322 0 40 BEAB COc1ccc(OC)c([C@@H](O)c2ccoc2)c1 40244867 AVLRWPICKVUSNW-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB CCc1noc(CN2CCCC[C@H]2C)n1 40489584 ZFVKGLHVMRKEHF-SECBINFHSA-N 209.293 2.006 0 40 BEAB CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 41173403 IFMUENAFBDIBOI-GFCCVEGCSA-N 239.702 2.260 0 40 BEAB CC(C)(C)c1cnc(Cn2ccnc2)o1 41391525 NCYLKKDFQJFPDS-UHFFFAOYSA-N 205.261 2.217 0 40 BEAB COCCNC(=O)Nc1ccccc1SC 43319610 ROXFPSULVYUCEA-UHFFFAOYSA-N 240.328 2.176 0 40 BEAB NCc1ccc(C(F)(F)F)c(F)c1F 44248803 PEKCLTCAWNBFME-UHFFFAOYSA-N 211.133 2.442 0 40 BEAB CC(=O)NCc1ccc(CN2CCCCC2)cc1 44873234 GYEXCKXLMDQNRR-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB CO[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 49080936 JKUSOQFPUNDOKP-BRZBPJHZSA-N 237.343 2.106 0 40 BEAB Oc1n[nH]c2c1C[C@@H](c1ccccc1)CC2 68575905 YICCKRIEQALKQJ-JTQLQIEISA-N 214.268 2.388 0 40 BEAB in-vitro CC(C)C[C@@H](CO)NC(=O)Nc1cccs1 71910261 NAFIGQIDIXDSOJ-VIFPVBQESA-N 242.344 2.277 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]1/C=C/C(=O)O 72207937 WVZOWSAYQHINTR-XCODYQFDSA-N 241.287 2.027 0 40 BEAB CC[C@H](O)c1cnc(NC2CC2)c(C)c1 72222768 KKPFBEUGHAEZEJ-NSHDSACASA-N 206.289 2.408 0 40 BEAB COCCN1CCC[C@@H](Cc2nccs2)C1 72357062 HSDVWVSEQUZCAP-NSHDSACASA-N 240.372 2.044 0 40 BEAB Cc1nc([C@@H]2CCCN2Cc2ccncc2)no1 72357069 KJQLNUTWRZLWDM-LBPRGKRZSA-N 244.298 2.110 0 40 BEAB COCc1ccccc1C(=O)O[C@H](C)COC 73836746 KWWUSUFZPUPFDB-SNVBAGLBSA-N 238.283 2.025 0 40 BEAB CCCC1CCC(NCCc2nnc[nH]2)CC1 80577237 NRVNCWVUSZPHFY-UHFFFAOYSA-N 236.363 2.296 0 40 BEAB O=C(NCc1ccc(Cl)cc1)c1cccnn1 82307222 AIRIPRBSYMCSKM-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB CC(C)[C@@H](c1ccccc1)N(C)CC(=O)O 82718251 SJWXTVQPPWXIII-ZDUSSCGKSA-N 221.300 2.400 0 40 BEAB C[C@H](NC(=O)c1ccccc1O)C1CCC1 89894234 KUZZINCIZHTIPT-VIFPVBQESA-N 219.284 2.311 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1O 95942556 SYCPWHUVXAZZPW-UWVGGRQHSA-N 229.320 2.157 0 40 BEAB in-vitro COc1ccnc(Sc2ccncc2)n1 95977465 HUCZPONNEPCZLI-UHFFFAOYSA-N 219.269 2.031 0 40 BEAB Cc1cnn(CCOc2ccccc2F)c1 96428957 ZXZBJFWHFASDDQ-UHFFFAOYSA-N 220.247 2.410 0 40 BEAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccoc1 96454454 OHUVNAZTIWFMJE-ZYHUDNBSSA-N 237.299 2.071 0 40 BEAB C[C@H]1C[C@H]1CN(C)CCc1nccs1 97105601 BSEGEYZFKXXRSQ-UWVGGRQHSA-N 210.346 2.273 0 40 BEAB Cc1cccc(NC[C@@H](C2CC2)N(C)C)n1 97163295 RNYAPORLDJKMCO-LBPRGKRZSA-N 219.332 2.142 0 40 BEAB CNC1=C(C)CCN(Cc2ccccc2)C1 100034031 OZQONMHYBVAVHH-UHFFFAOYSA-N 216.328 2.386 0 40 BEAB Nc1ccccc1-c1nc2ccccc2c(=O)o1 100263204 NSEDDEBVJPEPRI-UHFFFAOYSA-N 238.246 2.437 0 40 BEAB Nc1cnccc1C(=O)c1c[nH]c2ccccc12 199711157 JVDPTFOUNCRVST-UHFFFAOYSA-N 237.262 2.376 0 40 BEAB CCS(=O)(=O)c1c[nH]c2ccc(Cl)nc12 382695305 UEYSXOMVTKVRPH-UHFFFAOYSA-N 244.703 2.010 0 40 BEAB CC(C)C[C@@H](C(=O)O)N(C)Cc1cscn1 563279799 YYWDBQNQDSQHGV-JTQLQIEISA-N 242.344 2.074 0 40 BEAB CCCC1(C(=O)N2C[C@H]3CSC[C@H]3C2)CC1 894343018 SFXAKPOJWFSDSA-PHIMTYICSA-N 239.384 2.388 0 40 BEAB CCSc1ccc(/C=C/C(=O)O)cn1 165519 JTZCIXOZPLXPDF-GQCTYLIASA-N 209.270 2.291 0 40 BEAB Cc1cc(-n2nnc3ccccc32)cc(C)n1 347943 HDPLOEZILNPBGB-UHFFFAOYSA-N 224.267 2.432 0 40 BEAB CCc1sc(N)[n+](C)c1-c1ccc(OC)cc1 479832 WEPQZJRAISIKRX-UHFFFAOYSA-O 249.359 2.393 0 40 BEAB O=C1CCCc2c1nc(-c1ccccc1F)n2O 494969 UJZFSTLTDOXCIJ-UHFFFAOYSA-N 246.241 2.446 0 40 BEAB CCN(CC)CCCNC(=N)c1ccccc1 1685207 HAPKIJVUALNDJR-UHFFFAOYSA-N 233.359 2.333 0 40 BEAB C=CS(=O)(=O)Cc1ccc(Cl)cc1 1736499 VUMVSMQMVORMBG-UHFFFAOYSA-N 216.689 2.398 0 40 BEAB CN1CCCC[C@H]1CCN1CCCCC1 4539025 YWMAWIWYSHEARC-ZDUSSCGKSA-N 210.365 2.347 0 40 BEAB in-vitro COc1cccc(C=O)c1OC(=O)c1ccco1 4548583 OQOHOXHQNBTZFD-UHFFFAOYSA-N 246.218 2.320 0 40 BEAB O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCC1 5411893 YZKOQTQCVIICGQ-GRYCIOLGSA-N 205.301 2.211 0 40 BEAB CC[C@H](C)NC(=O)c1ccccc1NC(C)=O 5468647 YGTRKDSGZSHMIK-VIFPVBQESA-N 234.299 2.173 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=S)NC1CC1 6330464 ANMZJIXUPYVJMT-WPRPVWTQSA-N 212.362 2.192 0 40 BEAB CC1(C)OC(=O)N2NCc3ccccc3[C@]21C 6668611 SLMYQNUHXKWASE-ZDUSSCGKSA-N 232.283 2.151 0 40 BEAB CCOc1ccccc1Nc1ncc(C=O)cn1 8702915 GWROIFBDHLWZOX-UHFFFAOYSA-N 243.266 2.431 0 40 BEAB CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O 8740084 IDTIDICFFKDZSP-UHFFFAOYSA-N 244.294 2.357 0 40 BEAB biogenic FC(F)(F)Oc1ccc(O[C@H]2CCNC2)cc1 14632296 YEEVMHLTOFWWFK-JTQLQIEISA-N 247.216 2.326 0 40 BEAB NC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 17836876 FMXPGWNCORDLEA-JZVMUCMXSA-N 213.708 2.050 0 40 BEAB O=C(O)CCc1c[nH]c2cc(F)ccc12 20269213 QFAXQZJZPABTFS-UHFFFAOYSA-N 207.204 2.324 0 40 BEAB CN(C)c1ccc(NC(=O)c2cccs2)cn1 20372017 WYXWMESBIXKSQB-UHFFFAOYSA-N 247.323 2.461 0 40 BEAB CC[C@H]1COC(=O)N1c1ccc(C(=O)OC)cc1 26897107 RDBVAWZQQARSQJ-JTQLQIEISA-N 249.266 2.208 0 40 BEAB OCc1coc(/C=C/c2ccccc2)n1 34119810 LHEAPWRLFGORKU-VOTSOKGWSA-N 201.225 2.337 0 40 BEAB O=C1C=C(OCc2ccccc2)CCO1 34454411 KYNFYDPQIKTSBI-UHFFFAOYSA-N 204.225 2.034 0 40 BEAB Cc1cn(-c2ccc(Cl)cc2)[nH]c1=O 34535206 WKMIHRILDQGEFJ-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB COCc1cccc(NCc2c[nH]nc2C)c1 36918286 SVNDYDKLQVBXDW-UHFFFAOYSA-N 231.299 2.477 0 40 BEAB FC(F)(F)Oc1ccc([C@H]2CNCCO2)cc1 36965116 JMNHBVHPPNOGJS-SNVBAGLBSA-N 247.216 2.246 0 40 BEAB CC(C)C(=O)NCCO[C@H]1CCCC[C@@H]1C 40534927 YUMPTQFITLTHSH-RYUDHWBXSA-N 227.348 2.354 0 40 BEAB OCc1cccnc1NCc1ccccc1 41227577 VSXRVDGIRDNWQM-UHFFFAOYSA-N 214.268 2.186 0 40 BEAB C[C@@H](CCc1ccccc1)NCCn1cccn1 42538657 IHXRREKPFGEMIN-AWEZNQCLSA-N 243.354 2.494 0 40 BEAB O=C(CO)c1cc(Cl)ccc1Cl 50161282 YAVQZDOWPWBDFU-UHFFFAOYSA-N 205.040 2.168 0 40 BEAB Cn1nc(-c2ccc(Cl)s2)cc1N 51172243 KRWXSQBPIKUSBV-UHFFFAOYSA-N 213.693 2.384 0 40 BEAB in-vitro C[C@@H](O)[C@H]1CNc2cc(Br)ccc21 57219134 BERTXOJABVEMKO-HZGVNTEJSA-N 242.116 2.339 0 40 BEAB CCSc1nc2nc(C)c(C)c(C)n2n1 60867403 BGUZYPZSEHTSDP-UHFFFAOYSA-N 222.317 2.162 0 40 BEAB C[C@@H](SCCOC(C)(C)C)C(=O)NC1CC1 69737169 JDALORFLPKYNTB-SECBINFHSA-N 245.388 2.202 0 40 BEAB Clc1ccc2c(c1)[C@H]1CNCC[C@H]1N2 71484544 CTRPRBJZXMYEJI-MWLCHTKSSA-N 208.692 2.211 0 40 BEAB in-vitro CCN(C[C@H]1CCCCN1)C(=O)OC(C)(C)C 79437605 ZAOIIMCNCUNJQE-LLVKDONJSA-N 242.363 2.386 0 40 BEAB CC(=O)N1C[C@H](C(C)C)Nc2ccccc21 81793847 IPWDUHZCLTVNON-GFCCVEGCSA-N 218.300 2.490 0 40 BEAB CCOc1ccc(-c2nc(C)n[nH]2)cc1OC 85384307 UNOMTLYPWWWEIN-UHFFFAOYSA-N 233.271 2.187 0 40 BEAB CC(C)c1noc(N2C[C@H]3CCC[C@H]3C2)n1 89893647 IRMPPCMVYNSYQA-AOOOYVTPSA-N 221.304 2.429 0 40 BEAB C[C@@H](O)[C@@H]1CCCN(CCc2ccccc2)C1 89927847 NSYYHZYMLTXWKM-UKRRQHHQSA-N 233.355 2.322 0 40 BEAB Cc1ccc(F)c(OCCC2OCCO2)c1 95734139 IRJGSRNRZKUQMT-UHFFFAOYSA-N 226.247 2.276 0 40 BEAB O=C1CC[C@@H](C(=O)OCc2ccccc2)C1 95936429 UJDODTGHYKJEAA-LLVKDONJSA-N 218.252 2.099 0 40 BEAB CCN(C(=O)c1ccc(C(=O)OC)cc1)C1CC1 95948418 QPMJVNGTVPZOAS-UHFFFAOYSA-N 247.294 2.098 0 40 BEAB COC(=O)C[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 103708284 SYNGPWGKVVAZBZ-CHWSQXEVSA-N 224.300 2.335 0 40 BEAB C[C@]1(CO)CCC[C@@H]1NC(=O)C[C@@H]1C=CCC1 107157961 YVHDZSLHMGJAGE-MBNYWOFBSA-N 237.343 2.010 0 40 BEAB CCCCO[C@H](Cc1ccccc1)C(=O)O 199386040 SKKLZZUJOQMXSQ-GFCCVEGCSA-N 222.284 2.499 0 40 BEAB COc1cc(CO)ccc1OC(F)(F)F 199392877 VPDZLKWEFSPEDN-UHFFFAOYSA-N 222.162 2.086 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2CO)C1 217352065 RDIDHDVKSYRPDN-GWCFXTLKSA-N 241.331 2.016 0 40 BEAB CN1C[C@@H](N)[C@H](c2ccc(Cl)cc2Cl)C1 217661182 DCULMEWANYUGGF-GXSJLCMTSA-N 245.153 2.350 0 40 BEAB CCOC(=N)c1cccc(Br)n1 228918014 ORVTVIPNLBQIIL-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB CCOc1cc(C(=O)Nc2ccccc2)ncn1 240122719 WIFPZYGXRVXORY-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB O=[S@@](c1cnccc1Cl)C(F)(F)F 242522372 IPPDGXXGBLFXEI-ZDUSSCGKSA-N 229.610 2.362 0 40 BEAB NCc1cnn([C@H]2C[C@@H]2c2ccc(F)cc2)c1 514264586 KOZJAARUXDZAIJ-OLZOCXBDSA-N 231.274 2.210 0 40 BEAB Cn1c(O[C@H]2CCSC2)nc2ccccc21 585652301 WYKNLHFULLOUOT-VIFPVBQESA-N 234.324 2.458 0 40 BEAB CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 606289699 LTDAANNGNROGHI-ONGXEEELSA-N 241.331 2.469 0 40 BEAB CCCCOc1ncc(C(=O)OC)cc1C 675082094 SGKNYIMQYBUUJS-UHFFFAOYSA-N 223.272 2.356 0 40 BEAB O=C(NCc1ccc(C2CC2)nc1)C1CCC1 1565521791 ARMNEBAIIJTPAU-UHFFFAOYSA-N 230.311 2.375 0 40 BEAB Oc1cccc(-c2n[nH]c(-c3ccccn3)n2)c1 505339 YQCDEMBHCVGFFP-UHFFFAOYSA-N 238.250 2.239 0 40 BEAB CCOC(Cn1cnc2ccccc21)OCC 572679 QZCDTRTYNPVMPL-UHFFFAOYSA-N 234.299 2.435 0 40 BEAB C[C@H]1CCC[C@H](C)N1Cn1ncn(C)c1=S 3276957 TXDUKDIGBMQASO-UWVGGRQHSA-N 240.376 2.171 0 40 BEAB CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 5964314 ZCEUBPHEBYXFLM-VHRBIJSZSA-N 248.278 2.355 0 40 BEAB biogenic C[C@@H](O)c1ccc[n+](Cc2ccccc2)c1 6443314 HBPPUEWELDEJTA-GFCCVEGCSA-N 214.288 2.076 0 40 BEAB CCOC(=O)Nc1cccc(C(=O)NC2CC2)c1 8077325 NZKVXPLHIJYTKC-UHFFFAOYSA-N 248.282 2.147 0 40 BEAB C[C@H](O)CNCc1cccc(Cl)c1Cl 8498047 JOMSJONIBQHODE-ZETCQYMHSA-N 234.126 2.464 0 40 BEAB CCc1ccc2c(c1)C(C)(C)[C@@]1(C)NC(=O)CN21 11731170 QLBXBACRPJYSTI-HNNXBMFYSA-N 244.338 2.193 0 40 BEAB CC(=O)[C@@H](C)Sc1nc(C)nc2c1CCC2 12016883 SMHQUZUIJHWASL-MRVPVSSYSA-N 236.340 2.343 0 40 BEAB Cc1cnc(C(=O)NCCC2=CCCCC2)cn1 12936000 DCUCSAMSNSBTQQ-UHFFFAOYSA-N 245.326 2.405 0 40 BEAB CC[C@@H](Oc1ccccc1)C(=O)n1cccn1 13324042 IOKOYARAVJOJPZ-GFCCVEGCSA-N 230.267 2.381 0 40 BEAB CCNC(=O)Nc1ccc(F)c(F)c1F 19074911 HYIKFABHHBYWCK-UHFFFAOYSA-N 218.178 2.245 0 40 BEAB CC(=O)c1ccc(N2CCO[C@H](C)C2)c(F)c1 19871013 VFDURTIEEHFFHB-SECBINFHSA-N 237.274 2.253 0 40 BEAB COC(=O)/C=C(\C)Nc1ccc(C)cc1 20153986 PFOUNZPLBQOTSN-CSKARUKUSA-N 205.257 2.484 0 40 BEAB Cc1cc(N)c(NC(=O)[C@@H]2CCCO2)cc1C 20157606 MKLUGXYMYMYNDU-LBPRGKRZSA-N 234.299 2.003 0 40 BEAB NC[C@@H](O)c1ccc(-c2ccccc2)cc1 20216707 ATTHACCWLCOMAC-CQSZACIVSA-N 213.280 2.346 0 40 BEAB COc1ccc(NC(N)=S)cc1Cl 20368742 AKTRNWGJVKXGOV-UHFFFAOYSA-N 216.693 2.004 0 40 BEAB in-vitro CCCCC(=O)N1CC(=O)Nc2ccccc21 21009787 CVSQHWUYMXPYCV-UHFFFAOYSA-N 232.283 2.162 0 40 BEAB CCOc1cc(CN)ccc1OC(F)F 21966805 GNKNYDRCFXMNBL-UHFFFAOYSA-N 217.215 2.145 0 40 BEAB in-vitro CC(C)=CC(=O)Nc1ccc(-n2cncn2)cc1 22989791 MASXWMHWYPRZTH-UHFFFAOYSA-N 242.282 2.172 0 40 BEAB Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)n1 31546892 VLTRQRGAXRCFPX-UHFFFAOYSA-N 247.273 2.278 0 40 BEAB CC[C@@H](C)NC(=O)c1c[nH]c2ccccc2c1=O 32633328 ZXCAELPGTTZVHN-SECBINFHSA-N 244.294 2.056 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21 32999931 VRHKNDXADWWYPA-MWLCHTKSSA-N 201.269 2.232 0 40 BEAB Clc1ccccc1[C@H]1CNCCCO1 35598828 YWEZNUVMMVJOAD-LLVKDONJSA-N 211.692 2.391 0 40 BEAB C=Cc1cc(OC(C)=O)cc(OC(C)=O)c1 35643890 JEKQGWWKEWSQCU-UHFFFAOYSA-N 220.224 2.180 0 40 BEAB in-vitro COC(=O)c1ccc(CN(C)CC2CC2)cc1 37903011 CFTDIANFDNGEFK-UHFFFAOYSA-N 233.311 2.315 0 40 BEAB O=C(NCC1(c2cccs2)CC1)c1ccno1 38592921 NBMGQWOXQNLRPY-UHFFFAOYSA-N 248.307 2.198 0 40 BEAB O=C(CC[C@@H]1CCCO1)Nc1nccs1 40505865 JHPXWMYHOCNKSJ-QMMMGPOBSA-N 226.301 2.041 0 40 BEAB CCCCOCCNCc1cnc(C)s1 42273796 XPMICZULTUSMCW-UHFFFAOYSA-N 228.361 2.358 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC1CC1 42652366 OPAFUGLDNDUAPN-QJPTWQEYSA-N 207.317 2.339 0 40 BEAB CCOC(=O)CC(=O)c1ccc(F)c(C)c1 43501785 LSARTPXNGZTAKE-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB in-vitro CC(C)NC(=O)N[C@H](C)Cc1ccc(O)cc1 48922368 SJKIPJNJTHREBP-SNVBAGLBSA-N 236.315 2.031 0 40 BEAB N[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 50242678 YEWHSMVPJRZRQB-SNVBAGLBSA-N 228.698 2.012 0 40 BEAB COc1cccc(-c2nc(N)c3c(n2)CCC3)c1 50844633 WSGXYUFMZRJIKR-UHFFFAOYSA-N 241.294 2.223 0 40 BEAB in-vitro CC(=O)N[C@H]1CCOc2c(Cl)cccc21 55455531 SXBBVWNXKYVJMR-JTQLQIEISA-N 225.675 2.300 0 40 BEAB CCNC(=O)Nc1cccc(C(=O)OCC)c1 61743088 QCXSIHSUKLFXCA-UHFFFAOYSA-N 236.271 2.005 0 40 BEAB COC(=O)CCC(=O)c1cc(F)c(F)c(F)c1 62706651 RYAPSEYJEHIGHB-UHFFFAOYSA-N 246.184 2.240 0 40 BEAB Cc1cccc2c(=O)[nH]c(-c3ccccn3)nc12 65607246 ODJCMWBYVNVTOA-UHFFFAOYSA-N 237.262 2.294 0 40 BEAB CN1CCC(COc2ccc(N)cc2F)CC1 67800834 XWUDBNUMHWTNPW-UHFFFAOYSA-N 238.306 2.129 0 40 BEAB C[C@H](CCc1ccccc1)N[C@@H]1CCOC1 70964720 JOOZSNTXHDGLDA-TZMCWYRMSA-N 219.328 2.386 0 40 BEAB CSCC[C@H](N)c1nnc(C(C)(C)C)o1 72210629 CNRSXIIBOPQBLN-ZETCQYMHSA-N 229.349 2.120 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccnc(C)c1 72219492 KPVFITOGRHIKDO-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB Cc1nc(OCc2ccccc2)ccc1CO 72224457 BMSNXRIJYFXZEY-UHFFFAOYSA-N 229.279 2.461 0 40 BEAB O=c1sc2ccccc2n1Cc1ccno1 72674983 JNUQWLCYYDDRCX-UHFFFAOYSA-N 232.264 2.099 0 40 BEAB O=Cc1cnc2cc(C(F)(F)F)ccn12 74139978 QYZHRDSDGWCGLI-UHFFFAOYSA-N 214.146 2.166 0 40 BEAB CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(C)C 76006907 LKVFLUPETWHODK-CYBMUJFWSA-N 232.283 2.209 0 40 BEAB CCN(c1ccc(F)cc1)[C@H](C)C(=O)O 82259682 SYNDMKAJQUBKFX-MRVPVSSYSA-N 211.236 2.125 0 40 BEAB COC[C@H](C)NC(=O)N(CC(C)C)CC(C)C 84511023 WGMQDJMDXLVTQT-LBPRGKRZSA-N 244.379 2.345 0 40 BEAB CCCCC[C@@H](C)NC(=O)CN(C)CC 84743029 PHSPGXVJPWQHRM-LLVKDONJSA-N 214.353 2.023 0 40 BEAB Cc1cnc(C(=O)N2CC[C@H]3CCCC[C@@H]32)cn1 89702224 RAXNGXYFVSWNKJ-YPMHNXCESA-N 245.326 2.190 0 40 BEAB CCCn1cc(NCc2ccncc2)cn1 90191004 DYIANPAIRXMEDL-UHFFFAOYSA-N 216.288 2.300 0 40 BEAB Fc1nccnc1C(F)(F)C(F)(F)F 91252217 JRKPRMOYNBAKGV-UHFFFAOYSA-N 216.084 2.270 0 40 BEAB COc1cc(NC(C)=O)c(Cl)c(OC)c1 91304760 ZODNQSBFLDLKHW-UHFFFAOYSA-N 229.663 2.316 0 40 BEAB Cn1ccnc1COC(=O)CCc1ccccc1 95348828 IWXWPCRKDNBKKU-UHFFFAOYSA-N 244.294 2.096 0 40 BEAB O=Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 95917854 QDYUAFSFWVGEJY-UHFFFAOYSA-N 230.145 2.274 0 40 BEAB in-vitro CCCCNC(=O)N(C)[C@H](C)CSC 96413450 OTIAHAMGIMNAJG-SECBINFHSA-N 218.366 2.179 0 40 BEAB CC(C)N1CCC[C@H]1c1n[nH]c2c1[C@@H](N)CCC2 96515798 DJVXIHARCMXVJD-JQWIXIFHSA-N 248.374 2.291 0 40 BEAB Fc1ccc([C@H]2CNC[C@@H]2c2cc[nH]n2)cc1 98089135 NVTPVMPVSIFJTR-NEPJUHHUSA-N 231.274 2.019 0 40 BEAB CSC1(C(=O)O)[C@H]2CC[C@@H]3[C@@H]2CC[C@@H]31 102958251 LUUFFDIGOVAXOK-OKTGDZTBSA-N 212.314 2.239 0 40 BEAB COC(=O)c1oc2c(C)cccc2c1O 110752150 DKTGFIKDJWKZTF-UHFFFAOYSA-N 206.197 2.233 0 40 BEAB Cc1cccc(N[C@H](C)CCN2CCCC2=O)n1 195566826 CUIOEWRTPPSCMR-GFCCVEGCSA-N 247.342 2.203 0 40 BEAB CCC[C@@H](C)Nc1ccc(N)cc1C(=O)NC 225492350 UXAZTBQAHJREKH-SECBINFHSA-N 235.331 2.229 0 40 BEAB CC(C)CNC(=O)NCc1ccc(F)cc1F 298742396 SLTXPSWMPCAHHI-UHFFFAOYSA-N 242.269 2.420 0 40 BEAB COCO[C@@H](C)c1cc(F)ccc1C=O 521399863 VKXGPVSMWPMHBF-QMMMGPOBSA-N 212.220 2.320 0 40 BEAB Cc1cc(OCc2ccccc2)c2nncn2n1 575422450 LRKJLONAQDORNJ-UHFFFAOYSA-N 240.266 2.012 0 40 BEAB Cc1ccnc(N2CCOc3ccccc3C2)n1 575607178 LUDMKEQNECZMHZ-UHFFFAOYSA-N 241.294 2.184 0 40 BEAB Cn1cnc(-c2ccc(Cl)cc2F)n1 2362801415 HSZBREQHUVOFOZ-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB CCOP(=O)(OCC)[C@@H](O)C(C)C 1737637 MHCIATHWPPJEEC-MRVPVSSYSA-N 210.210 2.227 0 40 BEAB CCCC[C@@H](CC)C(=O)NC[C@H]1CCCO1 2741661 PVEUPUAPZWVDHP-VXGBXAGGSA-N 227.348 2.498 0 40 BEAB COc1ccccc1C(=S)N1CCCC1 6174949 FTVPNUAQXZRVCV-UHFFFAOYSA-N 221.325 2.467 0 40 BEAB COc1ccc2c(=O)ccccc2c1OC 6182385 RLROHNZEABNQFD-UHFFFAOYSA-N 216.236 2.217 0 40 BEAB Clc1ccc(NCc2cccnc2)nn1 21801305 BTCAKSHTZNVLKP-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB O=C(NCc1ccccc1)OCC(F)(F)F 8269674 KKYIEPKFJPKUCK-UHFFFAOYSA-N 233.189 2.475 0 40 BEAB CCOc1ccc(-c2ncc(C=O)cn2)cc1 8731023 WQZPAIPEWKUPMW-UHFFFAOYSA-N 228.251 2.355 0 40 BEAB Cc1cc(=O)[nH]n1-c1ccc(Cl)cc1 22116021 KBPUHSRPFGHWLK-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB in-vitro CN(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 103625316 WHXFRZFXDOAEFB-WDMOLILDSA-N 239.359 2.306 0 40 BEAB COc1ccccc1[C@@H](O)c1ccccn1 37464711 RYTMGNRIMAHOFD-CYBMUJFWSA-N 215.252 2.172 0 40 BEAB CN(C)c1ccc(C(=O)NC2CCCC2)cc1 994360 FDKJAWHTUGKPEU-UHFFFAOYSA-N 232.327 2.425 0 40 BEAB O=C1NC(=O)[C@@H](c2ccccc2)c2ccccc21 3133354 KRIJGXCQQCPVIL-ZDUSSCGKSA-N 237.258 2.089 0 40 BEAB O=c1[nH]c2cccnc2c(O)c1-c1ccccc1 29347641 UBPYLMGYIGLNCM-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB COC(=O)[C@H](C)Nc1cc(C)ccc1C 44870439 LKRHNMWYCVMUPH-JTQLQIEISA-N 207.273 2.277 0 40 BEAB CSC1=N/C(=C\c2ccccc2)C(=O)N1C 2127204 TUZDVWFPOBZFFC-NTMALXAHSA-N 232.308 2.219 0 40 BEAB O=C(OCc1cccc(F)c1F)c1cc[nH]n1 48251984 WLFUWLXRHYCEQL-UHFFFAOYSA-N 238.193 2.045 0 40 BEAB CC(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1 45795897 HYCWXWTUMWWRHP-UHFFFAOYSA-N 247.294 2.111 0 40 BEAB CCOC(=O)[C@H]1CCCN(c2ccccc2N)C1 62153055 GUALPRBXIVWFGX-NSHDSACASA-N 248.326 2.048 0 40 BEAB C[C@@H](N)[C@@H](c1ccccc1)N1CCCC1 38338636 CNACIQJCVBJSFL-YPMHNXCESA-N 204.317 2.171 0 40 BEAB CCn1c(C)c(CCN)c2cc(OC)ccc21 13727472 LCEDNIZVHHTSQE-UHFFFAOYSA-N 232.327 2.479 0 40 BEAB CC(C)(C)N[S@@](=O)c1ccsc1 4668714 QYVFYBIJYDHNMQ-GFCCVEGCSA-N 203.332 2.159 0 40 BEAB CCc1nnc2c3ccccc3c(Cl)nn12 4753320 XJIMFWNSKGDPIS-UHFFFAOYSA-N 232.674 2.493 0 40 BEAB c1ccc2nc(Oc3cnns3)cnc2c1 6943106 HJOKZIVYUAZRIJ-UHFFFAOYSA-N 230.252 2.274 0 40 BEAB Clc1ccc(CCCN2CCNCC2)cc1 19359769 VOBMEQLWIVXPEP-UHFFFAOYSA-N 238.762 2.178 0 40 BEAB NC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 8074396 URBJXHASBXSIPF-JTQLQIEISA-N 244.294 2.080 0 40 BEAB O=C(N[C@H]1CCOc2ccccc21)c1ccc[nH]1 71802308 UGNNTZDRAXRCQF-NSHDSACASA-N 242.278 2.268 0 40 BEAB CC[C@H](O)CN[C@@H](C)c1c(F)cccc1OC 95985414 SFMDTOMLNWCFDU-UWVGGRQHSA-N 241.306 2.256 0 40 BEAB COC(=O)[C@]1(C)C(C)=Nc2ccccc21 3847653 ZKBXKXSNSYTRRR-GFCCVEGCSA-N 203.241 2.223 0 40 BEAB biogenic C/C=C\C(=O)N1c2ccccc2NC(=O)C[C@H]1C 31903345 PBFPNGRDAYNHPS-XICOKMJESA-N 244.294 2.326 0 40 BEAB Cc1occ(C(F)(F)F)c1CC(=O)O 74178310 NCEANSIKJITNCQ-UHFFFAOYSA-N 208.135 2.234 0 40 BEAB c1ccc2oc(NC[C@H]3CCCCN3)nc2c1 44493352 SBWSJVQGYSXXMF-SNVBAGLBSA-N 231.299 2.382 0 40 BEAB COc1ccc(-c2ncc[nH]2)c(OC)c1 41212549 SUTSTYNLLVWBPI-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB NC(=O)c1ccc(-n2cccc2)cc1Cl 226244859 RRYPTZZFKGVOGU-UHFFFAOYSA-N 220.659 2.230 0 40 BEAB CCNC(=O)c1snnc1-c1cccs1 225786643 BCKTZDYPZURAMY-UHFFFAOYSA-N 239.325 2.016 0 40 BEAB Fc1ccc2c(c1)NCCC1(CCNCC1)O2 96028985 QUJUWQPTZDRWQG-UHFFFAOYSA-N 236.290 2.142 0 40 BEAB COc1ncc(C)cc1NC(=O)N1CCCC1 98016218 DCQASIKOMYAZPJ-UHFFFAOYSA-N 235.287 2.026 0 40 BEAB CCCCNCc1ccn(CC(C)C)n1 256051266 ILOOAVSRQCUZBJ-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1ccc(Cl)nc1 252479944 BQKOJNOSEHXUHY-WCBMZHEXSA-N 226.707 2.175 0 40 BEAB S=C(Nc1ccccc1)N1CCSCC1 282179 PCUGGIIUXSDCEJ-UHFFFAOYSA-N 238.381 2.432 0 40 BEAB CN1C[C@H](N)[C@H](c2ccccc2C(F)(F)F)C1 725409224 WKPYUKGDCNTYKE-ONGXEEELSA-N 244.260 2.062 0 40 BEAB Cc1nc(C)c(C)c(N2CC3CC2(C)C3)n1 664693789 OWRAHOSGNJQKIH-UHFFFAOYSA-N 217.316 2.391 0 40 BEAB COc1ccc2[nH]c([C@@H]3CCCCN3)nc2c1 75629701 IKDXGJAUCVXUIK-NSHDSACASA-N 231.299 2.386 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]12CC[C@@H](N)C2 307290078 ZVJHYQSIDJVEIE-ZWNOBZJWSA-N 240.347 2.267 0 40 BEAB N=C(N)COc1cccc(C(F)(F)F)c1 19841392 PWIMNSLZJNNKID-UHFFFAOYSA-N 218.178 2.020 0 40 BEAB CCCCNCc1nc2ccc(OC)cc2[nH]1 22122096 BMCQBVFSRLQNDD-UHFFFAOYSA-N 233.315 2.461 0 40 BEAB O=C(NCC(F)(F)F)[C@@H]1CC=CCC1 52949112 ZYLGYMKZCNNCIN-SSDOTTSWSA-N 207.195 2.021 0 40 BEAB COc1cc(C)c2c(OC)c(N)cc(OC)c2n1 104766375 MRLGXBGLWQALKF-UHFFFAOYSA-N 248.282 2.151 0 40 BEAB C=C1C(C)=NNC(=S)N1Cc1ccccc1 1263392 QGHZDWNJPZZFBZ-UHFFFAOYSA-N 231.324 2.266 0 40 BEAB COc1cccc(C)c1[C@@H](O)C[C@@H]1CCCN1 1569340 MNGMPKYYSAWCQH-RYUDHWBXSA-N 235.327 2.179 0 40 BEAB CCN(CC)c1c(N)c(=O)oc2ccccc12 2016949 VGSSSRDHKMKFIO-UHFFFAOYSA-N 232.283 2.221 0 40 BEAB C[C@@H]1CCc2sc3ncn4ncnc4c3c2C1 2239499 OLGDKHOCGGSFNT-SSDOTTSWSA-N 244.323 2.464 0 40 BEAB COc1ccc(N2CCCCC2=O)cc1 2524415 CZRGCZUCMQLTCA-UHFFFAOYSA-N 205.257 2.212 0 40 BEAB in-vitro O=C(O)[C@H]1CCN1[C@H](c1ccccc1)C1CC1 2525584 IGZBEONIJJAHDG-CHWSQXEVSA-N 231.295 2.297 0 40 BEAB Cc1ccc2nc(S[C@@H](C)C(=O)O)[nH]c2c1 4386201 QKMVZTPHRLGLGU-ZETCQYMHSA-N 236.296 2.437 0 40 BEAB O=C(O)c1cc(-c2ccc(Cl)s2)n[nH]1 6445959 GYIXQBMJJZNZJW-UHFFFAOYSA-N 228.660 2.490 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N2CCCCCC2)c1 7754236 HQBRXRYFTHTRPD-UHFFFAOYSA-N 234.299 2.234 0 40 BEAB CCOc1ccc(NC(C)(C)C(=O)O)cc1 8702854 CQONERSQTBKRAW-UHFFFAOYSA-N 223.272 2.360 0 40 BEAB COc1ccc2ncc(C)c(CO)c2c1 13283749 GVBTWPRQBSPGOX-UHFFFAOYSA-N 203.241 2.044 0 40 BEAB COc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1 15441702 KJOLLAZWNALFQX-VIFPVBQESA-N 236.267 2.379 0 40 BEAB Cc1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 17975720 QLFMLNSQOPZXGE-VXGBXAGGSA-N 241.290 2.451 0 40 BEAB C[C@@H]1CC[C@H]2C(=O)C[C@@H](O)[C@H]3[C@H]([C@H]12)C3(C)C 19800973 FVMMGLODIHOTCO-IDVBIJSJSA-N 222.328 2.255 0 40 BEAB biogenic,in-vitro CCOCCCNCc1cccc(F)c1 19962777 DFQDOVZRCZFUHR-UHFFFAOYSA-N 211.280 2.342 0 40 BEAB COc1ccc(C(=O)NC2CCCCC2)cc1N 20155943 QEVVGVFFDXDYBY-UHFFFAOYSA-N 248.326 2.340 0 40 BEAB Cc1c(Br)c(N)nn1C(C)C 20313717 NIYLRNWDDJDJMI-UHFFFAOYSA-N 218.098 2.117 0 40 BEAB Cn1cc(NCc2cc(F)cc(F)c2)cn1 20350275 HHOAYXKXVSEYSA-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CN(CC(=O)Nc1nccs1)c1ccccc1 24988453 ZPAJDONVUIJTNC-UHFFFAOYSA-N 247.323 2.218 0 40 BEAB CCCc1nn(-c2nc(C)cc(C)n2)c(N)c1C 26512343 SLIOSFVBTUWIJG-UHFFFAOYSA-N 245.330 2.122 0 40 BEAB C[C@H](NC(=O)Nc1ccccc1)[C@@H]1CCCO1 32779593 ORVMNWRTDGUJFL-JQWIXIFHSA-N 234.299 2.376 0 40 BEAB CC(C)CCC(=O)N1C[C@H](C)O[C@H](C)C1 33019052 ONXLUFBXQPCDMI-PHIMTYICSA-N 213.321 2.058 0 40 BEAB CC(C)CSCC(=O)N1C[C@@H](C)O[C@H](C)C1 40456873 GUAKJPKCIFVRPO-GHMZBOCLSA-N 245.388 2.011 0 40 BEAB COCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 40534901 IJLCLLIYDCOZGI-VIFPVBQESA-N 241.718 2.034 0 40 BEAB O=C(/C=C/c1nccs1)NC1CCCC1 40554582 SMMUDVXCMPMBGS-AATRIKPKSA-N 222.313 2.215 0 40 BEAB COc1ccccc1-c1cc(C(=O)O)ccn1 41250939 RRABOSZUERNZNF-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB C[C@@H](NC(=O)Nc1nccs1)c1ccccn1 42652264 RPLJAMFXYGJZJP-MRVPVSSYSA-N 248.311 2.421 0 40 BEAB COC(=O)c1c(C)nn(-c2ccccc2)c1C 44199629 KAEPSCXMKSXLKM-UHFFFAOYSA-N 230.267 2.276 0 40 BEAB Cc1cc(NC(=O)c2ccccn2)sn1 44454756 QJCXWDMETIHYCR-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB Cc1ncccc1CN[C@@H](C)[C@@H](C)n1cccn1 69350009 ALHJVZMXBWSESZ-WCQYABFASA-N 244.342 2.326 0 40 BEAB Cc1ccc(CN(C)C(=O)C2CC2)cc1 70237024 FYEYTCVFKBTWLE-UHFFFAOYSA-N 203.285 2.363 0 40 BEAB CCOc1ccc(-c2[nH]ncc2N)cc1 74208182 HCNMHSFREKLHJR-UHFFFAOYSA-N 203.245 2.058 0 40 BEAB Cc1ccc(CC(=O)N2CCCC2)c(C)c1 74960063 OZQLSQGJXTVXDH-UHFFFAOYSA-N 217.312 2.468 0 40 BEAB COC(=O)c1ccc(CNc2ccon2)cc1 83358506 SBVHDQHZMVWXQH-UHFFFAOYSA-N 232.239 2.073 0 40 BEAB Cc1ccc(OC(F)(F)F)cc1CN 91252345 HUHITEUBBNSNER-UHFFFAOYSA-N 205.179 2.352 0 40 BEAB COc1ccc([C@H](N[C@@H](C)CO)C(C)C)cc1 91349041 XFWDLSGTTUOEHB-SMDDNHRTSA-N 237.343 2.363 0 40 BEAB CCC[C@@H](NCCO)c1ccc(F)cc1F 96492307 ADFYCVSTNQRYAD-GFCCVEGCSA-N 229.270 2.388 0 40 BEAB COc1c(C)c(C(=O)O)nn1-c1ccc(C)cc1 96517728 WKVLNVSHIOPYMM-UHFFFAOYSA-N 246.266 2.196 0 40 BEAB CCc1ccc(N2CC[C@@H](OCCCN)C2)cc1 96528384 IOVVMYBDJTUSHB-OAHLLOKOSA-N 248.370 2.193 0 40 BEAB CCOC(CN1CCS[C@@H](C)[C@@H]1C)OCC 97161643 PQDIKCXDQFUDGQ-QWRGUYRKSA-N 247.404 2.211 0 40 BEAB COCCCC(=O)N(C)C1CCC(C)CC1 97365696 WXFGHZVQVQULCB-UHFFFAOYSA-N 227.348 2.450 0 40 BEAB NC(=O)C12C3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 101045751 PCMZLPLDCKQBDR-GJUQIXGGSA-N 247.297 2.498 0 40 BEAB NC(=O)Nc1ccc(F)c(Br)c1 133056521 LZJVJZJYLGFHRJ-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccco1 191678569 KCWRIZBNBAIIQF-RTXFEEFZSA-N 249.310 2.053 0 40 BEAB NN[C@@H]1CCSc2ccc(Cl)cc21 199546727 OZOQJHIGKZWCLT-MRVPVSSYSA-N 214.721 2.340 0 40 BEAB CNc1ccc(Nc2ncc(SC)cn2)cn1 225822846 CVPRDLHFMVBNKC-UHFFFAOYSA-N 247.327 2.379 0 40 BEAB CCn1cc(CNc2cnn(CC)c2C)c(C)n1 256053357 RCTFRZCWKXOQIU-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB FC1(F)CCN(c2nnc(C3CC3)s2)C1 345104815 JAHQHRUIOYWJIC-UHFFFAOYSA-N 231.271 2.261 0 40 BEAB Cc1ccc(SCS(C)(=O)=O)cc1 56669 FRNQOVHTLLMLNC-UHFFFAOYSA-N 216.327 2.089 0 40 BEAB N[C@H](CCCCC(=O)O)c1ccccc1 1759502 UINZQZCZNDPKGX-LLVKDONJSA-N 207.273 2.331 0 40 BEAB in-vitro Cc1cc(C)nc(N[C@@H](CC(C)C)C(=O)O)n1 1907111 FXYIEBKCZUKKES-JTQLQIEISA-N 237.303 2.005 0 40 BEAB O=C(O)[C@H]1CCCCN1Cc1cccc(F)c1 3754809 QEHMFYMCFXCQIA-GFCCVEGCSA-N 237.274 2.265 0 40 BEAB CC1(C)NC(=O)N=C[C@H]1c1ccccc1 4428618 WONGMCZCJSHNAQ-JTQLQIEISA-N 202.257 2.343 0 40 BEAB CCOC(=O)CN[C@@H](C)c1ccc(F)cc1 5829103 KHYVVTLQUHPYMC-VIFPVBQESA-N 225.263 2.039 0 40 BEAB Cc1c(C(=O)O)cccc1-c1ccc(CO)o1 8727814 LTGHJUKXTXORNN-UHFFFAOYSA-N 232.235 2.446 0 40 BEAB CCOc1cccc2c(=O)cc(C)[nH]c12 12412402 UMUSNRVQVVDWFV-UHFFFAOYSA-N 203.241 2.235 0 40 BEAB NCc1cc(-c2ccc(Cl)cc2)[nH]n1 20270443 CSXHDSGUGFYTJA-UHFFFAOYSA-N 207.664 2.189 0 40 BEAB CC[C@@H](C)NC(=O)N1C[C@@H](C)C[C@@H](C)C1 20573109 FKAUWSRENDMFMI-OUAUKWLOSA-N 212.337 2.472 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)CN(C)C 23382005 FWNMVEDYSIDTLT-UHFFFAOYSA-N 226.707 2.149 0 40 BEAB CC(C)[C@H](N)[C@H](O)c1ccc(Cl)cc1 32012876 NFBNILRAYFAGBW-WDEREUQCSA-N 213.708 2.357 0 40 BEAB N[C@@H](Cc1ccccc1)CN1CCCCC1 39141172 TXLIXMQWPQGLPR-AWEZNQCLSA-N 218.344 2.042 0 40 BEAB CCOc1ccc(C[C@H]2CCNC2)cc1 42784210 JJODWGVQPYJMTJ-GFCCVEGCSA-N 205.301 2.237 0 40 BEAB COc1ncccc1NC(=O)C[C@@H]1C=CCC1 47554095 SCHDUQCXDQJRFQ-SNVBAGLBSA-N 232.283 2.385 0 40 BEAB O=C(O)c1cnc(C2CC2)nc1N1CCCCC1 49469155 NJKDABWVCUBOOK-UHFFFAOYSA-N 247.298 2.043 0 40 BEAB C[C@@H](O)C(=O)Nc1ccc(Cl)cc1Cl 57523005 KMLRVMPNRXYAPK-RXMQYKEDSA-N 234.082 2.313 0 40 BEAB in-vitro Cc1noc(C)c1NC(=O)N[C@@H](C)C(C)C 60343573 RNADFLWIBDSPCT-ZETCQYMHSA-N 225.292 2.457 0 40 BEAB O=C(c1ccc(F)cc1)C1CCOCC1 61671136 RZAVXOHTGXATST-UHFFFAOYSA-N 208.232 2.435 0 40 BEAB N[C@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 66444955 CIXHTAFKIGIRDM-CBAPKCEASA-N 217.190 2.400 0 40 BEAB CCCCCCN1CCN(C(=O)CC)CC1 71920922 YXZQUUWFNWRRNO-UHFFFAOYSA-N 226.364 2.121 0 40 BEAB N=C(N)c1c(F)cc(Br)cc1F 75847655 VBUPQJAFWAIERK-UHFFFAOYSA-N 235.031 2.011 0 40 BEAB OCCCCN(CC1CCCC1)C1CC1 76021018 JSVLMFWFQLMNNH-UHFFFAOYSA-N 211.349 2.414 0 40 BEAB O=C(NCc1ccccc1Cl)c1cnco1 82306990 NSLQTTSAIZNXLT-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB O=C(O)c1cccc2c1ncn2C1CC1 83254266 INZCBEZMPXTICN-UHFFFAOYSA-N 202.213 2.069 0 40 BEAB CNc1nc(-c2cc(Cl)ncn2)cs1 91301248 WVOKVBIEELFKFB-UHFFFAOYSA-N 226.692 2.295 0 40 BEAB C[C@@H](C[C@H](O)c1ccco1)NCc1ccncc1 95448825 MGKAQXSFFUXOMM-AAEUAGOBSA-N 246.310 2.276 0 40 BEAB CCOc1c(F)cc([C@@H](C)O)cc1F 95739428 SNNMEWBQNQVAFO-ZCFIWIBFSA-N 202.200 2.417 0 40 BEAB Brc1cnc2c(c1)CCCO2 95762074 BVWBZYWPHNVCED-UHFFFAOYSA-N 214.062 2.169 0 40 BEAB in-vitro CC(C)Cc1nc([C@@H]2CCCCCN2)no1 96001556 XRNCNZDFNPEGIR-JTQLQIEISA-N 223.320 2.473 0 40 BEAB c1cnc(N2C[C@@H]3CCCC[C@H]3C2)cn1 96455872 POMAOTUOQLFIFH-QWRGUYRKSA-N 203.289 2.103 0 40 BEAB C[C@]1(NCC2OCCO2)CCCc2ccccc21 97045804 YMKWNDYMUXEVHR-HNNXBMFYSA-N 247.338 2.201 0 40 BEAB Cc1ncc(Cl)c(C(=O)N2CCCCC2)n1 98012889 WIMPEYBGYRDDKR-UHFFFAOYSA-N 239.706 2.065 0 40 BEAB O=C1CCCCC[C@@H]1C(=O)C(F)(F)F 100133209 WMDLGLZRZCXLSM-LURJTMIESA-N 208.179 2.267 0 40 BEAB FC(F)(F)Cc1n[nH]c2c1CCCC2 115016314 COCRJNHMCYSBPP-UHFFFAOYSA-N 204.195 2.393 0 40 BEAB COC(=O)c1coc(Cc2ccc(OC)cc2)n1 117682198 DBLIKVDKOPXALG-UHFFFAOYSA-N 247.250 2.061 0 40 BEAB CCOc1cc(Sc2ccncc2)ncn1 127819060 OYNGHYZMYZIFQE-UHFFFAOYSA-N 233.296 2.422 0 40 BEAB CC(C)(C)OC(=O)Nc1cnc(C=O)s1 139792386 GOAYIIHFCXVBQW-UHFFFAOYSA-N 228.273 2.303 0 40 BEAB C[Si](C)c1c(F)c(F)c(F)c(F)c1F 195816749 NLFJNDOVALKJDU-UHFFFAOYSA-N 225.212 2.344 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(C)nc1 217646962 BOHGDLNSPYNXGS-WDEREUQCSA-N 205.257 2.057 0 40 BEAB Cc1c(CCCO)sc[n+]1Cc1ccccc1 223813844 QBIAADGTQQOJBL-UHFFFAOYSA-N 248.371 2.317 0 40 BEAB CCOc1cc(Cl)c(O)c(C(=O)O)c1 226233359 QVVNNGFMEUDEFO-UHFFFAOYSA-N 216.620 2.143 0 40 BEAB CCCNC(=O)c1cn(-c2ccccc2)cn1 226754161 FAMNJEUJPLTLCC-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB COC(=O)c1nc(-c2ccccc2F)c[nH]1 256050957 HEMGBMGMTHZJGW-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB CCCn1cc(Cl)c(C(=O)OCC)n1 408717212 WZUJIWDVEXDHDY-UHFFFAOYSA-N 216.668 2.123 0 40 BEAB CC(C)n1ncc2c1C[C@@H](C(=O)O)CCC2 575424043 JUIHVOBXTYCHOF-VIFPVBQESA-N 222.288 2.044 0 40 BEAB Cc1ccc2c(n1)sc1c(=O)[nH]c(C)nc12 61359 RPPRNAYCXCWOMM-UHFFFAOYSA-N 231.280 2.150 0 40 BEAB COCC[C@@H]1OC[C@H](c2ccccc2)O1 1689184 MJEPAQAXQVRGOY-VXGBXAGGSA-N 208.257 2.137 0 40 BEAB Cc1ccc(C)c(-c2nnc(/C=C/C(=O)O)o2)c1 2179661 ZJRMTZSJPDNTCV-AATRIKPKSA-N 244.250 2.451 0 40 BEAB O=C1CS[C@H](c2ccccc2)N1C1CC1 4218183 CAQHDFBDKHDMKL-GFCCVEGCSA-N 219.309 2.423 0 40 BEAB in-vitro O=c1nc(Nc2ccc3ccccc3c2)cn[nH]1 11991005 CFRQWNVMPRCDNO-UHFFFAOYSA-N 238.250 2.062 0 40 BEAB CC[C@H](C)NC(=O)c1cccc2cn[nH]c12 12977845 NVQJKISEJRYCJK-QMMMGPOBSA-N 217.272 2.091 0 40 BEAB CC(C)NC(=S)Nc1ccc2c(c1)OCO2 13790676 BGXRHCVGGIZYGG-UHFFFAOYSA-N 238.312 2.110 0 40 BEAB CN(C)CCNCc1c(F)cccc1Cl 19261529 KMDOWMYOLQXOEE-UHFFFAOYSA-N 230.714 2.130 0 40 BEAB c1coc([C@@H]2NCCc3nc4ccccc4n32)c1 19772821 JHYAZRFZZUVECP-CQSZACIVSA-N 239.278 2.322 0 40 BEAB CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCC1 29329573 LVKYFKQEFXWHNE-UHFFFAOYSA-N 243.310 2.321 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)n1ccnc1 32628624 GZPOELWUWAUAJL-NXEZZACHSA-N 207.277 2.020 0 40 BEAB COc1cc(Cl)c(CO)c(Cl)c1 34304777 GZPKMEKJXBJIEZ-UHFFFAOYSA-N 207.056 2.494 0 40 BEAB CC(C)(C)n1ncc2c(Cl)ncnc21 34974944 BVJFFNHUTCJYSS-UHFFFAOYSA-N 210.668 2.235 0 40 BEAB CCn1cc(NC(=O)OCC(F)(F)F)cn1 35781984 DOMQBKMQXJNWPE-UHFFFAOYSA-N 237.181 2.014 0 40 BEAB in-vitro O=C(O)[C@H]1C[C@@H]1c1ccccc1OC(F)F 37381176 VEQHUVWIKWWTFY-SFYZADRCSA-N 228.194 2.476 0 40 BEAB in-vitro CCOc1c(F)cc(/C=C/C(=O)O)cc1F 38529886 WBJLFLHSNKNHCG-ONEGZZNKSA-N 228.194 2.461 0 40 BEAB Cc1ncsc1C(=O)N[C@@H](C)c1ccccn1 40529650 KSYKYNNJQMEOSC-QMMMGPOBSA-N 247.323 2.338 0 40 BEAB Cc1ccc(CN2CCO[C@@H](C)C2)cc1 41194281 JNQSTZSGHMZICE-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB c1cnc2c(OC[C@@H]3CCNC3)cccc2c1 42773410 YTTAIYHYOZWWBN-LLVKDONJSA-N 228.295 2.223 0 40 BEAB in-vitro CCC[C@@H](C(=O)OCC)C(=O)C(F)(F)F 43464497 GKTRFIBYCDBMGZ-ZCFIWIBFSA-N 226.194 2.097 0 40 BEAB CCCc1c(C(=O)O)cnn1-c1cc(C)ccn1 43671248 ZMAAALQLHPBJIY-UHFFFAOYSA-N 245.282 2.226 0 40 BEAB in-vitro COC(=O)c1ccnc2[nH]cc(Cl)c12 44712576 ZZPDDWLQFGSJCA-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB CCCc1cc(C(=O)N2CCCC[C@@H]2C)[nH]n1 44859459 RYJWPIKQXJSBMQ-JTQLQIEISA-N 235.331 2.377 0 40 BEAB C[C@H](S[C@@H](C)c1ccc(F)cc1)C(N)=O 45090879 YREWRJBWCBBYPF-YUMQZZPRSA-N 227.304 2.494 0 40 BEAB COC[C@@H](C)NCc1cccc(C)c1C 48241959 IJKUASLEXKLRHE-LLVKDONJSA-N 207.317 2.428 0 40 BEAB Cc1cc(C(=O)N2CCC[C@H]2C(C)C)no1 63832811 HJPQRCRRMBMPCX-NSHDSACASA-N 222.288 2.244 0 40 BEAB CNC(=O)c1ccc(CSc2ncc[nH]2)cc1 78931898 DWRSITDCOMKTAJ-UHFFFAOYSA-N 247.323 2.062 0 40 BEAB Cc1nc(-c2ccc(Cl)cc2)cc(=O)[nH]1 79067357 HJVYLHLHMPVEBW-UHFFFAOYSA-N 220.659 2.399 0 40 BEAB O=C(O)[C@@H]1CCCN1c1ccc(Cl)cc1 82713250 FQEIGKACEFDJKI-JTQLQIEISA-N 225.675 2.393 0 40 BEAB Cc1ccc(O)cc1I 90413386 QSRHEJRMXKBBKI-UHFFFAOYSA-N 234.036 2.305 0 40 BEAB C[C@@]12CC3(N)CC(C(=O)O)(C1)C[C@@](C)(C3)C2 100018479 VGTIAGCVYBEACG-ZSVAQUKISA-N 223.316 2.149 0 40 BEAB COc1ccc([C@@H]2[C@H](CN)CCCN2C)cc1 101397307 KCCPEDRPGGXQRU-GXTWGEPZSA-N 234.343 2.037 0 40 BEAB in-vitro Cc1cnn(Cc2nc(C)c3ccccc3n2)c1 193641409 VDACCNMPSAIBOS-UHFFFAOYSA-N 238.294 2.491 0 40 BEAB O=C(NC[C@@H]1CCCN1c1ccccc1)C1CC1 211114195 UYIMCJNEIDUOKT-AWEZNQCLSA-N 244.338 2.182 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 216341375 KAAUCJZOUPNSRN-WNJXEPBRSA-N 205.179 2.350 0 40 BEAB C[C@H]1C[C@@]1(CN)[C@@H](O)c1ccc(Cl)cc1 216576102 FMRUFLXRUIWCBX-UWJYBYFXSA-N 225.719 2.358 0 40 BEAB NC[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218700559 JCVNEPFOJPAIAS-QWRGUYRKSA-N 213.227 2.144 0 40 BEAB CCCO[C@H](Cc1ccc(OC)cc1)C(=O)O 225103160 PTWILDTYRHMTMD-GFCCVEGCSA-N 238.283 2.118 0 40 BEAB CCCNC(=O)c1cc(N)c(NC)cc1Cl 225729032 BWSXQIZJSPLBJY-UHFFFAOYSA-N 241.722 2.104 0 40 BEAB Cc1cn(C)nc1NCCc1ccccc1 256050345 DRWQLMBDEKBPOK-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB O=C1CC(C2CCC2)=NN1c1ccncc1F 634633575 AQBTYQWLSNWGTA-UHFFFAOYSA-N 233.246 2.114 0 40 BEAB N=c1nc2c(c[nH]1)CCc1ccc(Cl)cc1-2 1857793547 KXDYKFZKKHQPPJ-UHFFFAOYSA-N 231.686 2.308 0 40 BEAB O=C(O)c1ccc(Cn2cc(Cl)cn2)cc1 544825 UGZUJTGYNFLQEC-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CCOC(=O)CNc1cc(C)ccc1C 1732064 NPBOVOYOCZEBTK-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB O=C1c2ccoc2CC[C@@H]1C(=O)C(F)(F)F 2396151 HXEAGBQMXLUQEO-LURJTMIESA-N 232.157 2.156 0 40 BEAB CCCNC(=O)COc1cccc(C)c1C 2763582 CNLQDPVLRNGXEQ-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB O=C(O)/C=C/CCCCCCC(=O)O 5113044 XUNMWLWTZWWEIE-FNORWQNLSA-N 200.234 2.052 0 40 BEAB biogenic,in-vivo CC(C)c1c(O)c2ccccc2[nH]c1=O 5686010 HNNFXIWBRSEYNY-UHFFFAOYSA-N 203.241 2.357 0 40 BEAB biogenic Cc1sc2ncnc(NC[C@@H](C)O)c2c1C 6559725 IFCCDPBUXHNJQQ-ZCFIWIBFSA-N 237.328 2.101 0 40 BEAB COc1ccc2ccccc2c1[C@@H](N)CC(=O)O 8022651 OROJLMJKZIOSJV-NSHDSACASA-N 245.278 2.323 0 40 BEAB COC(=O)c1[nH]c2ccc(Cl)cc2c1N 8378116 JXHYLGFLCQKTHF-UHFFFAOYSA-N 224.647 2.190 0 40 BEAB O=C(O)c1cnoc1-c1ccccc1F 8700124 ZYGWUDJUJQNWHC-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB in-vitro Cc1cc(C)c2c(c1)OC1(CCNCC1)CC2=O 11849202 UDNBCNPCSHRWLW-UHFFFAOYSA-N 245.322 2.391 0 40 BEAB CC(C)CNC(=O)[C@H]1Cc2ccccc2S1 12921926 WCGHMGJSMRFGOT-GFCCVEGCSA-N 235.352 2.476 0 40 BEAB COc1cccc(/C=C/C=C\C(=O)O)c1 16698091 XVWJWKYAUAINIZ-GUYPDVCDSA-N 204.225 2.349 0 40 BEAB Nc1ccc(=O)n(Cc2ccccc2Cl)c1 19387535 TZTIROGMPOMLMV-UHFFFAOYSA-N 234.686 2.132 0 40 BEAB in-vitro O=Cc1c(Cl)cccc1-n1cccn1 20079195 BULVWSWDCIRHEL-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB in-vitro CCC(CC)CNCc1nnc2ccccn12 20185354 XNRGIERCZPWDJP-UHFFFAOYSA-N 232.331 2.255 0 40 BEAB Clc1ccc(OC[C@@H]2CCCN2)cc1 20221598 PPUUPDHCDRWAEB-JTQLQIEISA-N 211.692 2.471 0 40 BEAB C[C@H]1CC[C@H](NCCN2CCCCC2)C1 22455349 OIFGPLMAELDRMO-STQMWFEESA-N 210.365 2.251 0 40 BEAB CN(C)C(=O)c1cc2c(s1)CCCC2 32719950 SPAPFGKKSAEHAM-UHFFFAOYSA-N 209.314 2.329 0 40 BEAB CC(=O)NCc1c(C)nn(-c2ccccc2)c1C 32741331 DNBTVLRYDFVELC-UHFFFAOYSA-N 243.310 2.125 0 40 BEAB CCC(=O)c1ccc2c(c1)C1(CC1)C(=O)N2 34135300 OEVLWINLXLJBDY-UHFFFAOYSA-N 215.252 2.263 0 40 BEAB CCC(C)(C)NC(=O)c1ccc(C(=O)O)cc1 35347382 XULIAHZPSFGBDG-UHFFFAOYSA-N 235.283 2.303 0 40 BEAB Cc1csc(CNC(=O)c2ccsc2)n1 36397820 JUYBLMGWDKDLPS-UHFFFAOYSA-N 238.337 2.443 0 40 BEAB CSc1ccc(OCCC(=O)O)cc1 39438213 NMCXSNYBUXYMLO-UHFFFAOYSA-N 212.270 2.262 0 40 BEAB O=C(CSC(F)(F)F)Nc1cccnc1 41794946 BQYSVQOLSYIGRL-UHFFFAOYSA-N 236.218 2.273 0 40 BEAB Brc1cnc(-n2cccc2)cn1 44118195 WZRWWSBKNSBDKC-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB O=C(Nc1ccccc1-n1cccn1)NC1CC1 48152304 NBMUYKPZHXHBAQ-UHFFFAOYSA-N 242.282 2.156 0 40 BEAB CNC(=O)N(C)Cc1ccc(Cl)s1 48644698 QROWCMGMBPWGRZ-UHFFFAOYSA-N 218.709 2.173 0 40 BEAB CC[C@@H]1CN(Cc2ccccc2)CCC1=O 57467145 JUSKDLRMHAPHCU-CYBMUJFWSA-N 217.312 2.488 0 40 BEAB in-vitro C[C@H](NC(=O)NCC1CC1)c1ccccc1 57536046 LCENRITYTJNFJP-JTQLQIEISA-N 218.300 2.457 0 40 BEAB O=C(C[C@H]1C=CCC1)NCCc1cccc(O)c1 58129796 WLSDOQLGKJSPIT-LBPRGKRZSA-N 245.322 2.407 0 40 BEAB Nc1cnn(Cc2cccc(Cl)c2F)c1 67799626 MVWAWULUQAYWGL-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB COC(=O)Cc1ccc([C@@H](C)OC)cc1 72220174 NURSSWQSBVRDFR-SECBINFHSA-N 208.257 2.110 0 40 BEAB O=Cc1c(O)ccc(Br)c1F 75926722 FCZNTUDWVQSVHC-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(N)=O)C1 76387117 XRRCGRJEYBMFFS-RWMBFGLXSA-N 246.354 2.047 0 40 BEAB Cc1cc(C[C@H](C)N)n(-c2ccccc2)n1 82163843 NTRLVKNGJYRHQI-JTQLQIEISA-N 215.300 2.070 0 40 BEAB CCC[C@H](C)N(C)C(=O)/C=C/c1cnccn1 84740159 RYIXLLPPKHSUDY-MLRMMBSGSA-N 233.315 2.137 0 40 BEAB C[C@H]1CN(Cc2ccc(O)cc2)C[C@@H](C)O1 84857668 FYVUJEYPFDGQLW-PHIMTYICSA-N 221.300 2.001 0 40 BEAB CC1(C)CCC[C@H]1N[C@@H]1CCc2[nH]ncc2C1 90455935 UPHVXGLVJPZUKY-DGCLKSJQSA-N 233.359 2.435 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](F)C1 95933012 BBJACCZSJXCXSE-HTQZYQBOSA-N 203.257 2.402 0 40 BEAB in-vitro CCN(C)c1ccc(C(=O)O[C@@H](C)C(C)=O)cc1 95956069 AVFQPLNKZAGJIE-NSHDSACASA-N 249.310 2.277 0 40 BEAB Cc1cccc(C(=O)OCc2cncn2C)c1F 97015297 UQIVPJWSOOLZPA-UHFFFAOYSA-N 248.257 2.225 0 40 BEAB O=C1Cc2c(F)ccc(Br)c2N1 97455204 RMLWVELQPIUZBY-UHFFFAOYSA-N 230.036 2.083 0 40 BEAB CS(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 98013688 OJJCRFNACDVFMR-JTQLQIEISA-N 245.731 2.046 0 40 BEAB Cc1cc(OCC(=O)c2ccccc2)nnc1C 107079625 JVHGIISIPAQWPI-UHFFFAOYSA-N 242.278 2.355 0 40 BEAB O=C(NC[C@H]1CC[C@@H](O)C1)OCc1ccccc1 199714275 YIKGCGVKXMVDMH-QWHCGFSZSA-N 249.310 2.074 0 40 BEAB CC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 204584162 ROYJUNIRZXQXCQ-MRVPVSSYSA-N 227.304 2.078 0 40 BEAB CN1C[C@H](CO)[C@H](c2cccc3ccccc23)C1 217672146 ZNNSSQQNZDAPMD-CZUORRHYSA-N 241.334 2.477 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12 245224135 RSVDRWTUCMTKBV-IKOXMDCHSA-N 248.322 2.333 0 40 BEAB CCn1ccc(CNc2cc(C)nn2CC)n1 256053332 RAKPZVIXEXTEQN-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CN(Cc1ccc[nH]1)C(=O)[C@@]1(C)CC1(F)F 335559388 YGFMEFGSPFLSIT-SNVBAGLBSA-N 228.242 2.018 0 40 BEAB CCCOCc1nn(CC)cc1Cl 408715392 LXAMCFWLNSDFEV-UHFFFAOYSA-N 202.685 2.483 0 40 BEAB O=C(O)[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]21 521399598 JZLKUPNAUQTSJI-SZEHBUNVSA-N 208.644 2.310 0 40 BEAB in-vitro CC(=O)OC(C)(C)C(=O)c1ccc(N(C)C)cc1 575358366 XRDWCKCEHRXMSM-UHFFFAOYSA-N 249.310 2.277 0 40 BEAB CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1N 1857775526 FFRPJFQKQOMTIH-NSHDSACASA-N 234.299 2.269 0 40 BEAB COC(=O)c1ccc(C(=O)N2CCCCC2)cc1 341571 BOSRYDBLXGYLSE-UHFFFAOYSA-N 247.294 2.099 0 40 BEAB CCOc1cc(/C=C/C(=O)O)ccc1OC 2635411 OBWBKPZBQCSHTL-FNORWQNLSA-N 222.240 2.192 0 40 BEAB in-vitro CCC[C@@H](C(=O)NCCOC)c1ccccc1 46463607 OVZUPYBHDWFVNN-CYBMUJFWSA-N 235.327 2.333 0 40 BEAB CCCCOCCOCCO[C@@H]1CCCCO1 2048531 IQQBHEHGOZAWPW-CYBMUJFWSA-N 246.347 2.363 0 40 BEAB in-vitro CO[C@@H]1C=C[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 4727107 CULHEDOHPOHBOT-XUXIUFHCSA-N 248.278 2.028 0 40 BEAB COc1cccc(CNC(=O)c2ccco2)c1 6847985 NIXKNCUPKKPZSO-UHFFFAOYSA-N 231.251 2.218 0 40 BEAB S=C(Nc1cccnc1Cl)NC1CC1 7571119 ZWBSAQDHEFJSAL-UHFFFAOYSA-N 227.720 2.184 0 40 BEAB C[C@H]1C[C@@H](C)CN([C@@H]2CCCCC2=O)C1 37331845 NMIWPAMXCIMFPO-GRYCIOLGSA-N 209.333 2.476 0 40 BEAB in-vitro Cn1c(NC[C@H]2CCCO2)nc2ccccc21 513576 MFAUVJJJZSLDPW-SNVBAGLBSA-N 231.299 2.164 0 40 BEAB C[C@H](NC(=O)C1CC1)c1nc2ccccc2[nH]1 552015 BNYUDMQYRNZQDS-QMMMGPOBSA-N 229.283 2.150 0 40 BEAB CCN1CC[C@@H](CNCc2cccc(OC)c2)C1 37643758 SDURYEWUMWAFRU-AWEZNQCLSA-N 248.370 2.127 0 40 BEAB COC(=O)c1cc(Cl)ccc1C(C)=O 96034548 GRIZRWIVKZXLBP-UHFFFAOYSA-N 212.632 2.329 0 40 BEAB in-vitro Nc1ccccc1C(=O)NCc1cccc(F)c1 20473233 PRQDEIARMQGYJC-UHFFFAOYSA-N 244.269 2.338 0 40 BEAB O=Cc1cnc(-c2cccc(F)c2)nc1 35323351 VMNDUQCZSNNRMW-UHFFFAOYSA-N 202.188 2.095 0 40 BEAB in-vitro CC(C)[C@@H](O)CCN[C@@H]1C[C@H]2CC[C@H]1C2 108328276 CIAKMBISQNXVMX-RVMXOQNASA-N 211.349 2.172 0 40 BEAB Cc1csc(N(C)C(=O)c2ccoc2)n1 36397687 ZGWGWGDMPNVAQN-UHFFFAOYSA-N 222.269 2.321 0 40 BEAB CCN(CC)c1ccc([C@@H]2C[C@H]2N)cc1 62494917 GVMVJVUMXASALG-QWHCGFSZSA-N 204.317 2.347 0 40 BEAB NC[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 69978158 IGWBDHFBFYXLQO-ZETCQYMHSA-N 245.109 2.445 0 40 BEAB O=C(O)[C@H]1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O 8473744 LDLKSTRLCYRBDW-GRYCIOLGSA-N 248.278 2.356 0 40 BEAB CCCCc1ccc(S(=O)(=O)NCC)cc1 13938534 RSDGFQLODYKKKP-UHFFFAOYSA-N 241.356 2.327 0 40 BEAB C[C@@H]1CN=C(Nc2ccc(O)cc2)S1 5739138 QDXRVULQUCTVRI-SSDOTTSWSA-N 208.286 2.295 0 40 BEAB CC(C)[C@H](N)c1nc(-c2ccccc2)no1 19785547 ORHFAVJIUVVIMO-JTQLQIEISA-N 217.272 2.392 0 40 BEAB in-vitro CCOc1ccccc1[C@@H](O)c1nccn1CC 9421178 DYXWSNLHFCCLMV-CYBMUJFWSA-N 246.310 2.383 0 40 BEAB c1cnc(N2C[C@H]3CCCC[C@H]3C2)cn1 96455870 POMAOTUOQLFIFH-PHIMTYICSA-N 203.289 2.103 0 40 BEAB O=C(Nc1nccs1)c1ccsc1 9550229 CZAYQDKALAQONM-UHFFFAOYSA-N 210.283 2.457 0 40 BEAB Nc1cccc(-c2ccc(C(=O)O)o2)c1 73640283 HGELRAZDZWENED-UHFFFAOYSA-N 203.197 2.227 0 40 BEAB CC(C)CCNCc1cnc(N2CCCC2)nc1 62717825 NQTPCNKCCVFWSM-UHFFFAOYSA-N 248.374 2.213 0 40 BEAB CC1(C)CC(=O)c2c(CCC(=O)O)c[nH]c2C1 77988106 PHYVDXWRCVNXTP-UHFFFAOYSA-N 235.283 2.187 0 40 BEAB N#CNC(=N)Nc1cc(Cl)cc(Cl)c1 34130425 SICMGMNZHBFHDR-UHFFFAOYSA-N 229.070 2.411 0 40 BEAB CCCSc1nnc(-c2ccncc2)n1C 121796606 YXRKSCCCYUPLTR-UHFFFAOYSA-N 234.328 2.379 0 40 BEAB O=C(O)[C@@H]1C[C@H](C2CCCCC2)CCN1 74148205 HRHIKSLSMMWSSH-MNOVXSKESA-N 211.305 2.020 0 40 BEAB C[C@@]1(c2ccccc2Cl)COC(=O)N1 72417689 QASNVYBRJSULCW-JTQLQIEISA-N 211.648 2.295 0 40 BEAB Cc1ccc(F)cc1Cn1ccc([C@H](C)O)n1 187227539 MBGOUIHXIMLCTL-JTQLQIEISA-N 234.274 2.432 0 40 BEAB c1cnc(N2CCCC2)c([C@H]2CCCCN2)c1 72215995 QFMSMNKEHZDNRW-CYBMUJFWSA-N 231.343 2.496 0 40 BEAB C[C@@H](CO)Oc1ccc(Br)cc1 41256857 DJOHYRITEGTWPF-ZETCQYMHSA-N 231.089 2.209 0 40 BEAB O[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 43367777 YVSFZFJTNXEQJG-LLVKDONJSA-N 245.244 2.186 0 40 BEAB C[C@@H](Cc1cc(F)ccc1F)C(=O)O 43459157 GATIIXYLIXZALQ-LURJTMIESA-N 200.184 2.228 0 40 BEAB C[C@]1(c2cc(F)ccc2F)C[C@@H]1C(=O)O 49815098 HVVFKZKWIQXEFG-LDYMZIIASA-N 212.195 2.327 0 40 BEAB CSCCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 225436455 LNUZTWXUQAVNPT-GUBZILKMSA-N 214.330 2.329 0 40 BEAB CC(=O)NCCc1ccc(C(F)(F)F)cc1 49930634 TYJGVPBXNRCDBD-UHFFFAOYSA-N 231.217 2.384 0 40 BEAB N=C(N)Cc1c(F)cccc1C(F)(F)F 84931410 ASOVKHDOKLJUJL-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB COc1cccnc1N1CCC(C)CC1 527822862 HZFSJYWACVMNQH-UHFFFAOYSA-N 206.289 2.327 0 40 BEAB CN1CCC(CCNC(=O)c2ccccc2)CC1 134048215 VNBANHPJKUNXRQ-UHFFFAOYSA-N 246.354 2.148 0 40 BEAB Cc1nc(C(C)C)ncc1C(=O)NC(C)C 222568397 ZGFRGJPOWDKBJH-UHFFFAOYSA-N 221.304 2.047 0 40 BEAB CCCC(=O)Nc1cc(-c2cccnc2)no1 96184017 HSRJMEWKKVBIHH-UHFFFAOYSA-N 231.255 2.475 0 40 BEAB N[C@H](CC(=O)O)Cc1cc(Cl)cc(Cl)c1 238612935 KCWUZNRWYWKZMO-VIFPVBQESA-N 248.109 2.338 0 40 BEAB C[C@@H](CO)S[C@H](C)c1nc(C2CC2)no1 96430372 ZWRLOUUJVWGEAB-NKWVEPMBSA-N 228.317 2.122 0 40 BEAB CC[C@@H](C)n1ccc(NCc2ccnn2C)n1 256053861 TXXABQJNCCUURE-SNVBAGLBSA-N 233.319 2.200 0 40 BEAB CC(C)(C)[C@H](O)COc1ccccc1C=O 256051814 KORPEECXPNVIFQ-GFCCVEGCSA-N 222.284 2.285 0 40 BEAB Cc1noc(C2CN(Cc3ccc(C)s3)C2)n1 49482524 MGHFIGUEKJALQD-UHFFFAOYSA-N 249.339 2.347 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC1(Cl)Cl 1535639470 DHQJRQCIVJMDBQ-YFKPBYRVSA-N 226.103 2.457 0 40 BEAB Cc1cccc(NC(=O)c2cscn2)n1 62658463 CFTZXHOHBHPUGN-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB Cn1nc(C(=O)NC2CCCC2)c2ccccc21 82300966 LCCHXQZXNUPVEP-UHFFFAOYSA-N 243.310 2.246 0 40 BEAB CCCCC(=O)N[C@@H](C)c1nnc(C)s1 95940066 QJHYKTOMTCUMGE-ZETCQYMHSA-N 227.333 2.214 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](CN)C(C)(C)C1 217442248 KILFTHXFTRTDPJ-JTQLQIEISA-N 242.363 2.228 0 40 BEAB Cc1ccc(NC(=S)NCC(C)C)nc1 13837586 NFVIKHAJPPWISX-UHFFFAOYSA-N 223.345 2.332 0 40 BEAB CN(C)c1nc([C@@H]2CCCCN2)cn2cccc12 205686908 ZRTXHWGHAKZJBU-NSHDSACASA-N 244.342 2.215 0 40 BEAB Brc1nnc(-c2ccncc2)s1 71051340 KAUUGBWNSHNIAV-UHFFFAOYSA-N 242.101 2.363 0 40 BEAB Clc1ccc(O[C@H]2CN3CCC2CC3)nc1 585655259 ZFTPUGYFLJEYRC-NSHDSACASA-N 238.718 2.208 0 40 BEAB C1=CCC(COc2cc3c(nn2)CCC3)C1 585652828 XNJOWJUAQARUNB-UHFFFAOYSA-N 216.284 2.310 0 40 BEAB C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1C/C=C/C(=O)O 2332243373 MVHJGXZXOMOQBQ-YMJKQLDDSA-N 226.316 2.451 0 40 BEAB CC[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 30418 GPNXDVXGUVXYLI-ZDUSSCGKSA-N 246.354 2.381 0 40 BEAB COc1ccc(N)cc1OCc1ccncc1 20283601 NOYPQAVZIVGEGE-UHFFFAOYSA-N 230.267 2.251 0 40 BEAB in-vitro C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccncc1 40506287 IEMOBKHSBXHKPK-DGCLKSJQSA-N 248.326 2.218 0 40 BEAB O=C(COc1ccccc1)Nc1cccc(O)c1 349234 VSEVCXVLZFBHNG-UHFFFAOYSA-N 243.262 2.410 0 40 BEAB CN(C)CCCNC(=O)c1cc2ccccc2o1 2376455 XWYBHKVQSVUCRY-UHFFFAOYSA-N 246.310 2.114 0 40 BEAB NC(=S)c1nc(-c2ccccc2)cs1 3181170 AMSAGSXZGUYLEQ-UHFFFAOYSA-N 220.322 2.444 0 40 BEAB Cc1ncsc1CCOC(=O)c1cccnc1 3189240 YKUKJYDGTPSAJD-UHFFFAOYSA-N 248.307 2.246 0 40 BEAB CCCCNC(=O)C(=O)Nc1ccc(C)cc1C 5184346 MRWZLLCHARATGM-UHFFFAOYSA-N 248.326 2.158 0 40 BEAB c1ccc2c(c1)CN(C[C@H]1CCCO1)C2 9814748 XHJBJCLJNWCFQX-CYBMUJFWSA-N 203.285 2.181 0 40 BEAB in-vitro CC[C@@H](c1ccccc1)n1nccc1N 11920597 MZZBOZLLCJTFGM-NSHDSACASA-N 201.273 2.465 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](O)c1ccccc1 12980898 SKQYQIMZWAEHGC-XBFCOCLRSA-N 247.338 2.415 0 40 BEAB Nc1cnccc1Oc1ccc2c(c1)OCO2 20370834 PHQBTLYSASQGKE-UHFFFAOYSA-N 230.223 2.185 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@@H](C)N)c(OC)c1 20392316 RRLUYITYNNJRHP-ZHAHWJHGSA-N 221.300 2.155 0 40 BEAB c1ccc2nc(N3CCCNCC3)ccc2c1 22147826 BPZHEDSZJYCEMQ-UHFFFAOYSA-N 227.311 2.035 0 40 BEAB Cc1ccc(OCCNC(=O)NC2CC2)c(C)c1 32843677 DJJHAJSKDIDYAN-UHFFFAOYSA-N 248.326 2.144 0 40 BEAB Nc1cc(CN2CCCCCC2)ccc1O 37272177 NTRXWXZZDMLNNM-UHFFFAOYSA-N 220.316 2.350 0 40 BEAB in-vitro CCCN1c2ccccc2CC[C@H]1CN 60394256 UCLZWKXAZZUQPM-LBPRGKRZSA-N 204.317 2.177 0 40 BEAB Nc1ccc(O)c(NC(=O)C2CCCCC2)c1 61722134 WPKYEIQTHCNOBB-UHFFFAOYSA-N 234.299 2.493 0 40 BEAB CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1 68561946 YMZYXRXAOBGMQY-UHFFFAOYSA-N 205.257 2.464 0 40 BEAB Cc1nc2ccccc2nc1-n1ccnc1 70163327 BWYSSCLYVBJEPA-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB O=C(c1ccn(-c2ccccc2)n1)N1CCCC1 70253858 CJQCDFOJCJAUIQ-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB C[C@H]1Cc2c(Br)cccc2C(=O)N1 70587825 TXSSOAPEHHIASE-LURJTMIESA-N 240.100 2.124 0 40 BEAB in-vitro CC(C)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 72361277 DYZWRACMBHTKJN-LLVKDONJSA-N 221.304 2.119 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCC[C@H]21 72481875 QIFOHUUCJIDZOS-DTWKUNHWSA-N 225.288 2.323 0 40 BEAB COc1ccc(N)cc1-c1ccc(C(=O)O)o1 73640297 DSYLTWSZOIDGAB-UHFFFAOYSA-N 233.223 2.236 0 40 BEAB COc1ccc2cc(C=O)cnc2c1OC 74111992 JWGLGQGGBQNSAB-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB Cc1cc(N)nc(Nc2cccc(F)c2)n1 75156677 YPOMRKLCJKEZDY-UHFFFAOYSA-N 218.235 2.250 0 40 BEAB CCC[C@@](C)(CO)NCc1csc(C)n1 78989858 VILAMSSUFJQNAZ-NSHDSACASA-N 228.361 2.092 0 40 BEAB CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)N 79420292 ACKJNPAAWDPCSC-VIFPVBQESA-N 240.734 2.036 0 40 BEAB N[C@@H]1CCC(=O)c2cc(OC(F)F)ccc21 82164020 VEPBBSLKWKIBHV-SECBINFHSA-N 227.210 2.264 0 40 BEAB in-vitro O=C(CCl)NCc1cc2ccccc2[nH]1 82276924 QGLRIZWCDIFBID-UHFFFAOYSA-N 222.675 2.023 0 40 BEAB CCn1c(CO)nc2cccc(Cl)c21 82584715 NMUIIXSPKHJKJD-UHFFFAOYSA-N 210.664 2.202 0 40 BEAB FCCOc1cccc(CNC2CC2)c1 87774262 HJGUSJNTOBDBAU-UHFFFAOYSA-N 209.264 2.287 0 40 BEAB CCOc1cc(C)ccc1CNC(C)=O 89990937 IMBCNCXMSVCGOW-UHFFFAOYSA-N 207.273 2.030 0 40 BEAB Brc1csc2cncn12 91692501 XVSDZCXZVRYTHC-UHFFFAOYSA-N 203.064 2.158 0 40 BEAB Oc1c(Cl)ccnc1Br 95763739 XZMRRLPLIHBBQA-UHFFFAOYSA-N 208.442 2.203 0 40 BEAB in-vitro C1=C[N+]2=C(C1)C1=C(CN=[N+]1c1ccccc1)C2 96305389 IOPYAHAXMRYOGA-UHFFFAOYSA-N 223.279 2.435 0 40 BEAB CCS(=O)(=O)/C=C/c1ccc(F)cc1 96510044 KLRASZOITCKRSH-BQYQJAHWSA-N 214.261 2.231 0 40 BEAB CCOc1cc(C(=O)O)nn1Cc1ccccc1 96510743 LIAMOKQGRRMXEM-UHFFFAOYSA-N 246.266 2.028 0 40 BEAB N[C@@H]1CCCN(CCCC2CCCC2)C1 96523561 BDSHWQKGRNAEMW-CYBMUJFWSA-N 210.365 2.380 0 40 BEAB Cc1cc([C@@H](C)NCc2noc(C)n2)c(C)o1 97111999 UKTVIDDEVGQTMZ-MRVPVSSYSA-N 235.287 2.439 0 40 BEAB COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 113493726 BJSBIWRQYYNXTQ-BDAKNGLRSA-N 212.195 2.241 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC[C@H](C)O 131758331 YPLFTNWYFSSQHA-MROQNXINSA-N 213.365 2.418 0 40 BEAB CC(C)CCNC(=S)Nc1cccnc1 166551730 UGIIBRLGPTUHQM-UHFFFAOYSA-N 223.345 2.414 0 40 BEAB C[C@]1(C(=O)Nc2ncccc2O)CCCS1 195559185 LUDFOFNMEPPMPM-LLVKDONJSA-N 238.312 2.011 0 40 BEAB CC(C)(C)C(=O)OCSc1cnccn1 195578445 IOXYZNILZKNFEZ-UHFFFAOYSA-N 226.301 2.116 0 40 BEAB C[S@](=O)c1ccsc1Br 199972213 WRXWPHOHCOXNQJ-VIFPVBQESA-N 225.132 2.248 0 40 BEAB Oc1ccc2c(c1)C(O)c1cc(O)ccc1-2 225780739 SEAAEGXRFPBRNW-UHFFFAOYSA-N 214.220 2.160 0 40 BEAB CC(C)N1CC[C@@H](N)[C@H](Cc2ccccc2)C1 242687892 UZKWLRCARZKULO-HUUCEWRRSA-N 232.371 2.287 0 40 BEAB CCn1cc(C)c(NCc2ccco2)n1 256052765 OOBBHTOTZBGTIU-UHFFFAOYSA-N 205.261 2.417 0 40 BEAB Nc1cc(-c2ccc(-n3cccn3)cc2)no1 258343225 DWKQCUCNWWQDRZ-UHFFFAOYSA-N 226.239 2.110 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3ccc(Cl)cc3[C@@H]21 536956350 WLJLPPNLAMGCOO-LPEHRKFASA-N 208.644 2.310 0 40 BEAB C[C@H]1c2ccccc2C[C@H]1NCC1(C)COC1 661517829 VTJBGGSYYRJYED-SMDDNHRTSA-N 231.339 2.341 0 40 BEAB Cc1cc(C)n(-c2cc(C(F)(F)F)ncn2)n1 697438761 UBYKTXYWUKKEEN-UHFFFAOYSA-N 242.204 2.298 0 40 BEAB CCOc1ccnc2sc(C(=O)O)cc12 1535640722 VTLYLNAJPDMNGS-UHFFFAOYSA-N 223.253 2.393 0 40 BEAB c1cnc(SCc2cccnc2)nc1 2126 HMCTXMOKMWELFJ-UHFFFAOYSA-N 203.270 2.164 0 40 BEAB in-man Cc1nnsc1NC(=O)OCC(C)(C)C 1392284 JFNRLYRLHGMVHS-UHFFFAOYSA-N 229.305 2.441 0 40 BEAB C[C@@]1(O)OC(=O)c2ccc3ccccc3c21 1620786 OYDHBYOLYPZHND-CYBMUJFWSA-N 214.220 2.175 0 40 BEAB CC(=O)OCC[C@H](OC(C)=O)c1ccccc1 1665923 SBOBOTARPDBQPK-ZDUSSCGKSA-N 236.267 2.244 0 40 BEAB OCCCC[C@@H]1CO[C@H](c2ccccc2)O1 1671353 NOHMXHKKCXAPKY-OLZOCXBDSA-N 222.284 2.263 0 40 BEAB C[C@@H](CN(C)C)Oc1ccc2c(c1)C(=O)[C@H](C)C2 1675079 NWMZWVSNWLBQCA-MNOVXSKESA-N 247.338 2.390 0 40 BEAB O=C(/C=C/c1ccccc1)NN1CCCCC1 1697503 FOTGLNLCAHKSQF-MDZDMXLPSA-N 230.311 2.217 0 40 BEAB CCSc1cc(C(N)=S)cc(Cl)n1 3851000 LDPDKARGZGOMQM-UHFFFAOYSA-N 232.761 2.481 0 40 BEAB biogenic CC(C)CC(=O)NC(=O)NCc1ccccc1 4815434 RWMGPBMSLYUBGI-UHFFFAOYSA-N 234.299 2.059 0 40 BEAB CCOc1cc(C(=O)NC)cc(Cl)c1OC 6350921 WRSQRNDSAAFJBO-UHFFFAOYSA-N 243.690 2.107 0 40 BEAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@@H]2C)c1 7801432 YRMMRZLPGIMWEW-ONGXEEELSA-N 247.294 2.376 0 40 BEAB Cc1ccccc1/C=C/C(=O)NC1CC1 8034945 RNJQFCPVSCYLPE-RMKNXTFCSA-N 201.269 2.287 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2N)C1 8703307 HBRDSVZHQXKCKQ-QWRGUYRKSA-N 232.327 2.387 0 40 BEAB Cc1ccc(C(=O)Nc2ncccc2O)cc1 12536601 AAIWUDITVLKGCD-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB CC[C@@H](C)C(=O)Nc1nnc(C2CC2)s1 12734486 MKIKWGCUHDWULN-ZCFIWIBFSA-N 225.317 2.400 0 40 BEAB C[C@H]1CN(C(=O)Nc2ccccc2F)CCO1 12851168 UHLIDIIRCUWQLW-VIFPVBQESA-N 238.262 2.078 0 40 BEAB C[C@H]1CN(C)[C@H](C)C[C@]1(O)Cc1ccccc1 13118312 YSGPBYGQFUGPJJ-GUTXKFCHSA-N 233.355 2.320 0 40 BEAB Cc1ccc(NC(=O)CN2CCCC2)cc1C 14193476 IJMRZQJXKGBIKN-UHFFFAOYSA-N 232.327 2.338 0 40 BEAB CC(C)c1ccc(-c2nonc2N)cc1 19772654 ZVOYTVLXNUQWFG-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB NC1CCN(Cc2c(F)cccc2Cl)CC1 20266673 PVYKMZFYQMEMEY-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB C[C@H](CO)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 22061424 FUBPRYXDIHQLGH-NAWOPXAZSA-N 212.333 2.192 0 40 BEAB in-vitro CC(=O)CCCc1nc2ccccc2[nH]1 22113388 FUOXXCAMPKQNGW-UHFFFAOYSA-N 202.257 2.475 0 40 BEAB Cc1nc(/C=C/C(=O)N[C@@H](C)C2CC2)cs1 23042245 AVHSTTRNMOTGNT-GJIOHYHPSA-N 236.340 2.379 0 40 BEAB Cc1c([C@@H](C)NC(=O)C2CCCCC2)cnn1C 25006535 YUUOXKCFHTZCED-SNVBAGLBSA-N 249.358 2.486 0 40 BEAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccco1 32008061 RSZAUJYHDAFSQT-LLVKDONJSA-N 243.262 2.013 0 40 BEAB Cc1n[nH]cc1CNCc1cccs1 35273978 XQMKQQJWGAQMRM-UHFFFAOYSA-N 207.302 2.069 0 40 BEAB CCc1cccc(-n2[nH]c3ncccc3c2=O)c1 35504008 NYFFYRRQXKOCQA-UHFFFAOYSA-N 239.278 2.276 0 40 BEAB CCOC(=O)c1ccc(N(CC)CC)cc1O 44200240 KZNJVICZZXHPSQ-UHFFFAOYSA-N 237.299 2.415 0 40 BEAB CC[C@@H](C)c1ccccc1OCC(N)=O 44865905 VIWFHGAOGXJZKT-SECBINFHSA-N 207.273 2.064 0 40 BEAB Cc1nc(NC(C)C)sc1C(=O)NC1CC1 49551073 AQVXEHVTUJCXTJ-UHFFFAOYSA-N 239.344 2.164 0 40 BEAB C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1C(=O)O 49815107 BZIXVZCPWVTUKP-CPCISQLKSA-N 212.195 2.327 0 40 BEAB in-vitro C[C@H]1CCN(C(=O)CC2CCNCC2)[C@@H](C)C1 51733050 GRJZMVUAYWFWBV-RYUDHWBXSA-N 238.375 2.023 0 40 BEAB O[C@@H](c1ccc(F)c(F)c1)c1ccccn1 55237207 FAIHCJRBCWCDOH-LBPRGKRZSA-N 221.206 2.442 0 40 BEAB O=C(O)c1ccc(-n2cccc2)c(F)c1 57218676 ATFCCZZCELDWDM-UHFFFAOYSA-N 205.188 2.315 0 40 BEAB in-vitro Cc1cc(C)c(I)cn1 62720668 TXWQZDJZTXFOCY-UHFFFAOYSA-N 233.052 2.303 0 40 BEAB CCCN1Cc2cc(Cl)ccc2OCC1=O 65184353 LWMVPCLLRZHDOW-UHFFFAOYSA-N 239.702 2.471 0 40 BEAB CCOC(=O)CN1CCC[C@@H]1c1ccsc1 65624326 ARKPDSSPTOQELQ-LLVKDONJSA-N 239.340 2.448 0 40 BEAB C[C@@H]1C[C@@H]1NC(=O)c1ccc(OCC2CC2)nc1 72094944 GPFOJYWBQSDTJK-SKDRFNHKSA-N 246.310 2.009 0 40 BEAB Cc1ccc(-c2noc([C@@H](C)N)n2)cc1C 74110306 XTTOJAALNMNILG-SECBINFHSA-N 217.272 2.373 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)c1cocn1 74695579 PVASTVDJUITWQC-VIFPVBQESA-N 228.251 2.266 0 40 BEAB Cc1ccc(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1C 76022912 XKZQIKIBJLZXBT-STQMWFEESA-N 244.338 2.372 0 40 BEAB COc1cc(-c2noc(-c3ccoc3)n2)ccn1 78708153 ZYBNFABWUXUFAL-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB CCc1cc(C(=O)O)c(C(=O)O)cc1CC 81217827 NBPRDQJBFUACFV-UHFFFAOYSA-N 222.240 2.208 0 40 BEAB in-vitro Cc1nc(C(=O)NCc2cccnc2)c(C)s1 82264845 PEWLCGNZEJZORR-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB Nc1cccc(S(=O)(=O)C2CCCCC2)c1 82305309 MADJWEUNBYTMSF-UHFFFAOYSA-N 239.340 2.375 0 40 BEAB C[C@@H]1CNc2cc(Br)cnc2N1 87260513 ZCYMVYXIUYAUBV-RXMQYKEDSA-N 228.093 2.070 0 40 BEAB CN(C)[C@@H]1CCC[C@H](NC2CCSCC2)C1 89314026 NUTHTPKRXBMKEF-QWHCGFSZSA-N 242.432 2.344 0 40 BEAB CC1CC(NC(=O)N[C@@H]2C=CCCC2)C1 89920162 OSVZIJSCUPNIBR-HSOILSAZSA-N 208.305 2.193 0 40 BEAB CC(C)Oc1ccc(CNC(=O)C2=CCC2)cn1 95456827 JPSCQILNZDKZGH-UHFFFAOYSA-N 246.310 2.205 0 40 BEAB C[C@@]1(CO)CCC[C@H]1Nc1cncc(Cl)n1 96427237 RXKUANIAFUEWSF-KCJUWKMLSA-N 241.722 2.093 0 40 BEAB C[C@@H](Nc1cnccn1)[C@@H](O)c1ccc(F)cc1 97104620 FVCZAOIXBOXWPY-NOZJJQNGSA-N 247.273 2.150 0 40 BEAB Cc1ccc(O)c(CN(C)Cc2ccccn2)n1 97113801 HPUPAICCFPHJLF-UHFFFAOYSA-N 243.310 2.123 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1n[nH]c(C2CCC2)n1 97376633 KUTCZUFNEXPHKK-SECBINFHSA-N 246.314 2.367 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H](CN)c2ccccc21 98180709 FLRGVFQWIPNTAJ-JTQLQIEISA-N 248.326 2.484 0 40 BEAB in-vitro CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)/C2=C\CC(=O)O 100367040 RGKKHMAZNHLDGM-VGJCWTJYSA-N 224.300 2.205 0 40 BEAB Cc1nc2c(C)cccn2c1-c1ccn[nH]1 102999114 UAKAYGWRKXAGEU-UHFFFAOYSA-N 212.256 2.341 0 40 BEAB COc1cccc(-c2ncc[nH]2)c1OC 168801868 HUFJRJMDCLGVIX-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB Cn1cc(-c2ccc(Cl)cc2)nc1N 199560659 IFCLSJWGIYDJMR-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB Nc1ccc(-c2ccccn2)nc1Cl 225758849 DQUMNBZFJRSPJU-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB CC(C)CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@@H]12 228923544 RGPRDWNRZKFZSV-PWSUYJOCSA-N 222.332 2.366 0 40 BEAB CC(C)OCCCNCc1ccnn1C(F)F 256049868 BUMIEQHKDZFYRW-UHFFFAOYSA-N 247.289 2.183 0 40 BEAB CC(F)(F)CC(=O)Nc1cccc(O)c1 277172476 SERUTQGWOKSKIP-UHFFFAOYSA-N 215.199 2.376 0 40 BEAB Cc1ccc(C(=O)N2CC(C(F)F)C2)cc1 585390950 FCIFANFKXILHED-UHFFFAOYSA-N 225.238 2.332 0 40 BEAB CN(C)c1[nH]nc2sc(Cl)cc12 1083813025 UMZSXTQNJVBWQZ-UHFFFAOYSA-N 201.682 2.344 0 40 BEAB CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)CN(C)C1 51466 QSTBERFREDOMJD-WFASDCNBSA-N 247.338 2.417 0 40 BEAB CC(C)Oc1ccc([C@@H]2CNC(=O)C2)cc1 266571 IQRQFDBETFFVOE-NSHDSACASA-N 219.284 2.077 0 40 BEAB CCOC(=O)c1nnsc1Nc1ccccc1 1417061 ZVDRTZFPDVVNHO-UHFFFAOYSA-N 249.295 2.458 0 40 BEAB Cc1cc(Cl)c(=O)n(-c2ccccc2)n1 1577683 HVJSJPYRXAGBII-UHFFFAOYSA-N 220.659 2.194 0 40 BEAB C[C@@H]1CN=C(Nc2ccccc2N)S1 3103230 FVWQMXXGNNZXCC-SSDOTTSWSA-N 207.302 2.172 0 40 BEAB c1csc([C@@H](NC2=NCCO2)C2CC2)c1 3607565 VJHWETIJMQYHCX-JTQLQIEISA-N 222.313 2.175 0 40 BEAB Cc1cc(C(=O)Nc2ccc(F)cc2F)[nH]n1 6942679 NBRFZBDDFDLDOT-UHFFFAOYSA-N 237.209 2.249 0 40 BEAB Cc1cc(=O)n2c(nc3ccccc32)s1 13207457 XMOVWCGYIZUIIG-UHFFFAOYSA-N 216.265 2.218 0 40 BEAB O=C(O)c1c(=O)cccc2ssc12 14823937 BLFCMITWMARUSM-UHFFFAOYSA-N 212.251 2.021 0 40 BEAB biogenic COc1ccccc1[C@H](C(=O)O)N1CCCCC1 16719052 VMMKOQJSDTUOCD-CYBMUJFWSA-N 249.310 2.307 0 40 BEAB O=[N+]([O-])/C=C/c1cccc2c1OCCC2 16756658 ILEOZAXUOPUWQL-VOTSOKGWSA-N 205.213 2.259 0 40 BEAB O=C(O)CCCNC(=O)c1cc2ccccc2o1 19506955 QOPYEEXBYYASHI-UHFFFAOYSA-N 247.250 2.027 0 40 BEAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1N 20155585 MAPZEORCYZOGJK-SECBINFHSA-N 236.315 2.196 0 40 BEAB COc1cccc(Nc2ncccc2N)c1 20317567 YIHWKGHDHXERJB-UHFFFAOYSA-N 215.256 2.416 0 40 BEAB CCOC(=O)CC(=O)c1ccc(C)cc1C 20475436 CVDODYMUMJOSGP-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB Cc1ccc2nc(C)c3c(c2c1)O[C@@H](CN)C3 24983775 PAADGCQBAKUTIP-SNVBAGLBSA-N 228.295 2.114 0 40 BEAB O=C(O)c1cc(C(=O)O)cc(N2CCCCC2)c1 26509871 DMVNOIUIDLTLSW-UHFFFAOYSA-N 249.266 2.073 0 40 BEAB Cc1cc(NCC2CCCCC2)n2ncnc2n1 30549921 ACKRLHWYXCZEDH-UHFFFAOYSA-N 245.330 2.425 0 40 BEAB CN(C)c1ccc(NC(=O)NC2CCCC2)cn1 31030486 ZKOPKEWLWBKLKG-UHFFFAOYSA-N 248.330 2.212 0 40 BEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC1 32958270 YGLNNFMVPDROEA-JTQLQIEISA-N 237.274 2.215 0 40 BEAB CCOC(=O)[C@H](C)Nc1ccc(F)cc1 34080362 OGSKLRNKYVULDT-QMMMGPOBSA-N 211.236 2.189 0 40 BEAB Cc1ccccc1C(=O)Cc1ncc[nH]1 36946676 BLBGTUFQSURCOO-UHFFFAOYSA-N 200.241 2.144 0 40 BEAB in-vitro C[C@H](N)[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362451 ATVUCOFCESBIAI-KPXOXKRLSA-N 203.285 2.072 0 40 BEAB CNC(=O)CSCc1cccc(Cl)c1 40160363 DBUGMVRAUPRYSY-UHFFFAOYSA-N 229.732 2.319 0 40 BEAB C[C@H](N)c1noc(-c2ccc(Cl)cc2)n1 41052243 KOCFZDCYTUODHV-LURJTMIESA-N 223.663 2.410 0 40 BEAB CCC(=O)N(C)Cc1ccc(OC)cc1 44818758 APSOPRKGEBWNLZ-UHFFFAOYSA-N 207.273 2.064 0 40 BEAB Clc1ccc(-c2noc(C3CNC3)n2)cc1 48981061 NOTYOIZHINDCSH-UHFFFAOYSA-N 235.674 2.077 0 40 BEAB CC(C)C(=O)Nc1ccc2sc(N)nc2c1 62716739 DMBDZHDQBCHYOH-UHFFFAOYSA-N 235.312 2.473 0 40 BEAB N=C(NCc1ccco1)c1ccccc1 62988208 ZFRSLSPTJJNNBW-UHFFFAOYSA-N 200.241 2.395 0 40 BEAB CC/C=C/C(=O)NCCOc1cccc(F)c1 69967456 UFJAIRKIOQBUBI-XVNBXDOJSA-N 237.274 2.287 0 40 BEAB Fc1ccc(CN[C@H]2CCCOC2)cc1 71010876 KAMRUUNNZYKFBJ-LBPRGKRZSA-N 209.264 2.094 0 40 BEAB Nc1nc(Br)ccc1Cl 71256175 YWTWJLZYZLZQFZ-UHFFFAOYSA-N 207.458 2.080 0 40 BEAB COc1ccc(C(=O)OCC(F)F)cc1OC 71803584 DQTHSWVZKPYOEZ-UHFFFAOYSA-N 246.209 2.126 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C)C 72212690 JEVROWSWKKOMCI-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB Cc1cc([C@@H]2CCCN2C)cnc1N(C)C 72218605 UNPPCLUUMQTOMA-LBPRGKRZSA-N 219.332 2.223 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@H](C)N 72223480 AXHZTJHZLOUICX-JTQLQIEISA-N 205.305 2.010 0 40 BEAB CCC(=O)c1ccc(Br)nc1 72225029 HBTLRVLXKVIDGN-UHFFFAOYSA-N 214.062 2.437 0 40 BEAB CCCCC(=O)NC[C@](C)(O)C1CCCC1 75245825 XJFQRNBXBQEFOB-ZDUSSCGKSA-N 227.348 2.234 0 40 BEAB Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 77240775 XWBAMXLGROIFKD-NSHDSACASA-N 239.702 2.258 0 40 BEAB O=C1CCCN1CCSc1ccccc1O 89814420 GCUVWIUIPNGHPQ-UHFFFAOYSA-N 237.324 2.107 0 40 BEAB CC(C)n1nccc1C(=O)N1CCCCC1 89893836 HFLPHJYWHMAEHD-UHFFFAOYSA-N 221.304 2.090 0 40 BEAB CCCCCN1C[C@@H]2CN[C@@H](C)[C@@H](C2)C1 95093776 NRFXECJVXVXGFW-AVGNSLFASA-N 210.365 2.106 0 40 BEAB O=C(Cc1cc(F)ccc1F)N1CCCC1 95403438 WMMWOHPVDCPLMW-UHFFFAOYSA-N 225.238 2.130 0 40 BEAB CC[C@](CNC(C)=O)(OC)c1ccccc1 96123673 RJSGVGWKQPNAKY-CYBMUJFWSA-N 221.300 2.074 0 40 BEAB COCCCCn1ccc2sccc2c1=O 96500107 ZGWYIXAJDUFBOR-UHFFFAOYSA-N 237.324 2.490 0 40 BEAB CCO[C@H](C)C(=O)N(C)C1CCC(C)CC1 97293594 XRFOYHRGYOATND-MOENNCHZSA-N 227.348 2.449 0 40 BEAB c1ccn2cc(Cc3nc(C4CC4)no3)nc2c1 98009565 WWKQAERAKPGVSX-UHFFFAOYSA-N 240.266 2.186 0 40 BEAB CN[C@H](C)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100386896 STEFEEAVJHCPMZ-PGDPNYEUSA-N 223.360 2.316 0 40 BEAB O=C(Nc1cnc(C2CC2)nc1)NC1CCCC1 103240747 SHIUMBFPLDQKGU-UHFFFAOYSA-N 246.314 2.418 0 40 BEAB CC(C)(C)OC(=O)c1cc(O)cc(O)c1 112983674 HOOHDJBKLPZVGP-UHFFFAOYSA-N 210.229 2.053 0 40 BEAB c1cc([C@@H]2CCCN(Cc3cncs3)C2)[nH]n1 121187157 NDGZPNSUNNAHRK-SNVBAGLBSA-N 248.355 2.246 0 40 BEAB OC1(c2ncc(Br)cn2)CCCC1 145849577 ICHXPSPFWNZVTI-UHFFFAOYSA-N 243.104 2.001 0 40 BEAB COC(=O)[C@H]1CCc2[nH]c3ccccc3c21 217910537 WNPKSYBLLOPPJJ-VIFPVBQESA-N 215.252 2.371 0 40 BEAB Cc1ncc(C(=O)Nc2c(F)cccc2F)cn1 222589014 QWAPZCVGFZFTCZ-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB COc1cc2c(cc1Br)CC[C@H]2N 238398612 PREAMTQTMHPVCF-SECBINFHSA-N 242.116 2.404 0 40 BEAB COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C)o1 252482806 DODIDWUMCFJTLM-RYUDHWBXSA-N 237.299 2.019 0 40 BEAB COc1c(C(=O)NC2CC2)oc2ccccc12 252500039 SMGGQEZQZCDZQJ-UHFFFAOYSA-N 231.251 2.334 0 40 BEAB CC(C)NC(=O)c1ccnc(-c2cncs2)c1 257308574 TXGOEPXHABXQPY-UHFFFAOYSA-N 247.323 2.343 0 40 BEAB O[C@H]1CC[C@H]1Nc1ncccc1C(F)(F)F 585297273 ABSCCCWWPOFMTL-SFYZADRCSA-N 232.205 2.036 0 40 BEAB COc1cnc2cccc(F)c2c1C(=O)O 685937569 RXKNRHFAJJEYKO-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB CCSc1ccc(F)nc1C(=O)O 1888975891 ITFHJDSRQVWEEV-UHFFFAOYSA-N 201.222 2.031 0 40 BEAB C[C@@H](CC(=O)c1ccc(F)c(F)c1)C(=O)O 22204 AULAEUGQEJLYAQ-LURJTMIESA-N 228.194 2.258 0 40 BEAB in-vitro O=C(NCC1CC1)c1ccccc1Cl 100846 BHXAAEUEBCWBGJ-UHFFFAOYSA-N 209.676 2.480 0 40 BEAB CCCC(=O)Nc1ccc(OC)c(OC)c1 383459 WDAISGGMENKAFK-UHFFFAOYSA-N 223.272 2.442 0 40 BEAB CC(=O)[C@]1(C)SC(c2ccccc2)=NC1=O 1720029 MIIHWXZPOUSCOB-LBPRGKRZSA-N 233.292 2.054 0 40 BEAB Cc1nnc2sc(Nc3ccccc3)nn12 4063927 VWAMTBWNXMAETA-UHFFFAOYSA-N 231.284 2.238 0 40 BEAB CN1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1 4616647 GVIXVJQTIQOTOL-GFCCVEGCSA-N 237.274 2.077 0 40 BEAB O[C@H](CN1CCCCC1)c1ccccc1 6241647 WMZSIEGEKUAGJB-CYBMUJFWSA-N 205.301 2.206 0 40 BEAB COCc1ccc(C(=O)N2CCCC2)cc1 8479662 DTVBUGSFPLMEBZ-UHFFFAOYSA-N 219.284 2.069 0 40 BEAB Cc1nc(CSCCC(=O)O)cs1 8983713 YGIHQGBOMZTPQT-UHFFFAOYSA-N 217.315 2.159 0 40 BEAB in-vitro O=C(NCCc1ccco1)c1ccc(Cl)o1 12918143 BYIKRIHSNLGWJV-UHFFFAOYSA-N 239.658 2.499 0 40 BEAB O=C(Nc1cccc2nsnc12)C1CCC1 15729561 JTTAWPPMENYPAX-UHFFFAOYSA-N 233.296 2.430 0 40 BEAB O=C(O)c1ccc(-c2ccc(C(=O)O)o2)cc1 16429546 IMXDIGVTMPQHMD-UHFFFAOYSA-N 232.191 2.343 0 40 BEAB CCN(CC)CCNC1CCC(C)CC1 19919182 CPOIJZYMWMEZJG-UHFFFAOYSA-N 212.381 2.497 0 40 BEAB COc1ccc(OC)c([C@@H](N)C(F)(F)F)c1 19967656 XZMHLDHBTUYWEX-SECBINFHSA-N 235.205 2.266 0 40 BEAB O=C(O)c1ccc(-c2cncc(Cl)n2)cc1 20357712 CFAXENPLOVZDDF-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB CCn1ccc(NC(=O)NC2CCCCC2)n1 27929652 YBJCVGQCULUWFF-UHFFFAOYSA-N 236.319 2.357 0 40 BEAB NC(=O)[C@@H](NCC1CCCCC1)c1ccccc1 30007228 FUWFODMDDLEKAF-AWEZNQCLSA-N 246.354 2.383 0 40 BEAB CCONC(=O)c1ccc(C(F)(F)F)cc1 32848244 LLIIPLNWZNITGL-UHFFFAOYSA-N 233.189 2.387 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1 32981940 LCAGTUYVRBIWJP-JQWIXIFHSA-N 203.285 2.267 0 40 BEAB COCCCNC(=O)c1ccc(Cl)s1 33023965 IFPGZWAFCGKSPU-UHFFFAOYSA-N 233.720 2.168 0 40 BEAB C=CC(=O)N[C@H]1CCCc2ccccc21 35180708 SYTWQUHOEMWOBV-LBPRGKRZSA-N 201.269 2.366 0 40 BEAB NCCC1CCN(CCc2ccccc2)CC1 35605818 OIPXMJJBHKMWBP-UHFFFAOYSA-N 232.371 2.290 0 40 BEAB in-vitro C[C@H](O)CNCc1csc(-c2ccccc2)n1 40464601 MBZABVRXUNSAQJ-JTQLQIEISA-N 248.351 2.281 0 40 BEAB Cc1cccc(NC(=O)C[C@@H]2CCCN2)c1C 42165715 NHECJDWXOOLYLG-LBPRGKRZSA-N 232.327 2.384 0 40 BEAB CCOc1cccc(OC[C@H]2CCNC2)c1 42773668 MGPPZRGNENMYSJ-NSHDSACASA-N 221.300 2.074 0 40 BEAB COc1cc(/C=C\C(N)=O)ccc1OCC(C)C 44263249 OQNSJPGKCZHYMB-ALCCZGGFSA-N 249.310 2.229 0 40 BEAB CC(C)(C)c1cc(NC(=O)c2ccncc2)[nH]n1 48750433 PEDJVORPPROHFK-UHFFFAOYSA-N 244.298 2.355 0 40 BEAB CCN(CC[C@H]1CCCNC1)Cc1ccncc1 51919485 IDELVAFMEUDTNS-CQSZACIVSA-N 247.386 2.293 0 40 BEAB C[C@H](NC(=O)c1c[nH]c2ncccc12)C1CC1 64748416 MGIHORUGUMSTKA-QMMMGPOBSA-N 229.283 2.091 0 40 BEAB CNC(=O)c1ccc(OCc2ccccc2)nc1 69485055 FGNALJBAOGHPHH-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCN(CC)c1ccc(C(=O)OC)c(C)n1 72224296 WSZSTBYPQFDZPK-UHFFFAOYSA-N 222.288 2.023 0 40 BEAB CCN(CC(=O)O)c1cc(Cl)ccc1OC 76626328 HMWYYBACCGFJRL-UHFFFAOYSA-N 243.690 2.260 0 40 BEAB COC(=O)c1cc(-c2cc(F)ccc2F)on1 83140046 LCJCQVLPFIVJDJ-UHFFFAOYSA-N 239.177 2.406 0 40 BEAB CC1CC(CN)([C@@H](O)c2cccs2)C1 85396146 PZXICHOKQSKGFZ-JZQLECPJSA-N 211.330 2.157 0 40 BEAB O=C(O)CCN1CCC[C@H]1c1ccccc1 89828087 IGNBYRDHFRGTPA-LBPRGKRZSA-N 219.284 2.298 0 40 BEAB C[C@H]1CC[C@@H](C)N1C(=O)C1=CCCCO1 89922735 ZKZGUBTZAXCIJO-AOOOYVTPSA-N 209.289 2.080 0 40 BEAB CCOC(=O)c1c[nH]c2c(Cl)nccc12 90411572 VBJSYXPCSCPWBM-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB Clc1nc(N2CCCCC2)c2nccnc2n1 95095496 BUJYSWNBADXCSH-UHFFFAOYSA-N 249.705 2.064 0 40 BEAB Fc1cc2ncc(N3CCCO3)nc2cc1F 97109575 IXWYKYSQXSQDHM-UHFFFAOYSA-N 237.209 2.050 0 40 BEAB CCOC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1 98072742 JCJZOMFERPNRMY-WDEREUQCSA-N 243.372 2.161 0 40 BEAB C[C@H](c1ccccn1)N(C)[C@@H]1CCCCN1 98181595 DILMUIWNBOBMBE-DGCLKSJQSA-N 219.332 2.174 0 40 BEAB CC[C@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100001597 CVZCIFAVWVMZIQ-QGIMUDHVSA-N 209.333 2.055 0 40 BEAB COC(=O)c1cc(-c2ccccc2C)on1 167095353 NJJGSQUNSSLUFS-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB O=C(NC[C@H]1CCCN1c1ccccc1)C1CC1 211114149 UYIMCJNEIDUOKT-CQSZACIVSA-N 244.338 2.182 0 40 BEAB CCCN(CC(=O)O)c1ccccc1OCC 224998468 RMCNUQQYOMAXPQ-UHFFFAOYSA-N 237.299 2.386 0 40 BEAB Cc1ccc(OCC2CCOCC2)cn1 256049983 CDENCFCGVYJIFQ-UHFFFAOYSA-N 207.273 2.195 0 40 BEAB CC(C)CNCc1ccn(CC(F)(F)F)n1 256051698 KENZDVLFJUVOKC-UHFFFAOYSA-N 235.253 2.191 0 40 BEAB CN1CCC(Cc2ccc(Cl)nn2)CC1 257198106 SVIWIBPFDPKAFV-UHFFFAOYSA-N 225.723 2.014 0 40 BEAB Cn1nnc2c(Cl)c(Cl)ccc21 725343325 FSCQECMZRZSOQX-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CC(C)(C)OC(=O)NC1CC2(CC(CN)C2)C1 953075549 VCIWVIGZUGVCGC-UHFFFAOYSA-N 240.347 2.029 0 40 BEAB CCOC(=O)CC(=O)c1c(O)cccc1Cl 1772714701 KCIUDIRWHSEOLG-UHFFFAOYSA-N 242.658 2.182 0 40 BEAB CCOC(=O)CCn1ccccc1=S 55270 LSPWOUFRBXEXLM-UHFFFAOYSA-N 211.286 2.171 0 40 BEAB CCOC(=O)c1sc(-n2cccc2)nc1C 121359 WZMFHZGFBDLDTG-UHFFFAOYSA-N 236.296 2.419 0 40 BEAB Cc1cc(C)nc(NC(=O)CC(C)C)n1 513878 QJNGOOWSWSUMCX-UHFFFAOYSA-N 207.277 2.078 0 40 BEAB c1ccc2c(-n3nnc4ccccc43)ncnc2c1 1292916 IJKFWJCZBUPIHA-UHFFFAOYSA-N 247.261 2.364 0 40 BEAB O=C(O)c1cnccc1C(=O)c1ccccc1 1577908 XNHHHVALCZHJCA-UHFFFAOYSA-N 227.219 2.011 0 40 BEAB COc1ccc2ncc(C)c(C=O)c2c1 1761356 GJDPBWLTGBOJIC-UHFFFAOYSA-N 201.225 2.364 0 40 BEAB O=C1[C@H](N2CCCCC2)CCN1c1ccccc1 2003698 TYGVJQQISVEFSH-CQSZACIVSA-N 244.338 2.278 0 40 BEAB in-man CN(C)c1cccc(NC(=O)c2ccncc2)c1 3171678 WJPQBQYRZCQGRJ-UHFFFAOYSA-N 241.294 2.400 0 40 BEAB Cn1c(CO)cnc1SCc1ccccc1 4003036 BUBSHKAIMAQDTI-UHFFFAOYSA-N 234.324 2.205 0 40 BEAB CCN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 5552275 JUNUKAWMCIFCGP-YFHOEESVSA-N 249.291 2.448 0 40 BEAB COc1c2occc2c(O)c2ccc(=O)oc12 6403362 XPFCGZWOHNGDSP-UHFFFAOYSA-N 232.191 2.253 0 40 BEAB biogenic,in-vitro CN(C)C(=O)N[C@@H]1CCCc2ccccc21 6451552 YRRUVWCTJOZXNN-GFCCVEGCSA-N 218.300 2.335 0 40 BEAB CCC[C@@H](Oc1ccc(OC)cc1)C(=O)O 8730629 ZBVXWXFBBNEVAE-LLVKDONJSA-N 224.256 2.327 0 40 BEAB COc1cc(C=O)ccc1OC[C@@H]1CCCO1 9189804 KDHACBMWVXSAHP-NSHDSACASA-N 236.267 2.066 0 40 BEAB O=C(O)c1ccc(CSC(F)F)o1 12759594 QUJDUFZQRQXIQK-UHFFFAOYSA-N 208.185 2.434 0 40 BEAB in-vitro Cc1ccc(CN2CCC(=O)CC2)cc1 19427685 HCANSJOGHLDHGO-UHFFFAOYSA-N 203.285 2.160 0 40 BEAB in-vitro Nc1ccnn1[C@H]1CCCc2ccccc21 19689499 XGRMROKOYHRHCO-LBPRGKRZSA-N 213.284 2.391 0 40 BEAB COC[C@@H](C)N[C@H]1CCc2ccccc21 19904699 KSJZQTRNAXEHLG-MFKMUULPSA-N 205.301 2.298 0 40 BEAB O=Cc1ccc(N2CCCCC2=O)cc1F 20443222 FCLLNNRIEMUTED-UHFFFAOYSA-N 221.231 2.155 0 40 BEAB CCOc1ccccc1O[C@H]1CCC[C@@H]1N 22563252 OBVRFUXKSGFHQB-QWRGUYRKSA-N 221.300 2.344 0 40 BEAB in-vitro CCCn1c(NC(=O)COC)nc2ccccc21 27923555 PJAWJIXNPKUPTH-UHFFFAOYSA-N 247.298 2.031 0 40 BEAB Cc1ccccc1Nc1ccc(C(N)=O)cc1N 35059430 VTTAOKUUEVGDMK-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB Cc1ccc(-c2nc(C(=O)O)c(C)[nH]2)cc1 35320781 ILLGNMMTFOLGNV-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB COC(=O)C[C@H](C)NCc1ccc(Cl)cc1 35748671 QKDWILGTHSGXOG-VIFPVBQESA-N 241.718 2.381 0 40 BEAB Cc1ccc(Cn2ccc(=O)c(O)c2C)cc1 39019845 UUPOOAACOLCWON-UHFFFAOYSA-N 229.279 2.219 0 40 BEAB COCC(=O)N[C@@H](C)c1cccc(Cl)c1 40459660 KQZMQUVUBYOEFA-QMMMGPOBSA-N 227.691 2.164 0 40 BEAB CC(C)CO[C@H](C)C(=O)N(C)[C@H](C)C1CC1 40521140 SJLRTCYHDDMQPZ-GHMZBOCLSA-N 227.348 2.304 0 40 BEAB NC[C@@H](c1ccc(Cl)cc1)n1cccn1 42947246 VRLSQDSJKPKWDD-NSHDSACASA-N 221.691 2.085 0 40 BEAB in-vitro COC(=O)c1cc(OC(C)=O)c2cc(C)oc2c1 51971800 RYKAHKWLZNRCOG-UHFFFAOYSA-N 248.234 2.453 0 40 BEAB N=C(Nc1ccc2c(c1)CCC2)NC1CC1 52069528 AQIFOYHJWFKKMK-UHFFFAOYSA-N 215.300 2.274 0 40 BEAB CCc1cccc(NC(=N)NC2CC2)c1 52069743 KZMRVXDDTLTBBU-UHFFFAOYSA-N 203.289 2.348 0 40 BEAB CC/C=C(\C)C(=O)NCc1nc(C)cs1 56681137 ZHCUWOGHDHDZLB-VMPITWQZSA-N 224.329 2.424 0 40 BEAB CC[C@H](C)c1noc([C@@H]2CCCCN2)n1 57340792 VRWPVXKKPDTGPK-IUCAKERBSA-N 209.293 2.398 0 40 BEAB COc1ccc(NC(=S)NCC(C)C)cn1 57761474 PPQBVITVPWCEHL-UHFFFAOYSA-N 239.344 2.033 0 40 BEAB CCn1cc(NC(=O)CCc2ccccc2)cn1 58327657 LBAOPXKJJZUUDX-UHFFFAOYSA-N 243.310 2.474 0 40 BEAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCNC2)c1 62114128 RAVVIBZVHHOFNR-STQMWFEESA-N 246.354 2.090 0 40 BEAB Cc1nsc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 78302833 HQHXOKQNBIWEDU-HLTSFMKQSA-N 239.344 2.072 0 40 BEAB O=C(O)Cc1ccc(OCC2CCC2)cc1 83837916 FLFXBBXYJLTWQK-UHFFFAOYSA-N 220.268 2.493 0 40 BEAB O=C(Cc1ccc(O)cc1)c1cccnc1 84193868 JQDQROIMSMFJRU-UHFFFAOYSA-N 213.236 2.213 0 40 BEAB Cc1ccc(F)cc1NCc1cncn1C 85167737 AFFSFJYJVXWRDN-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CCO[C@H]1C[C@H](NC(=O)C2CC2)C12CCCC2 89986042 CNPBHIFLTQFHAA-RYUDHWBXSA-N 237.343 2.250 0 40 BEAB COc1ccccc1C(=O)C[C@H](C)CC(=O)O 95634445 VXHKRCVQTMREDO-VIFPVBQESA-N 236.267 2.379 0 40 BEAB Cc1cc(F)cc(C(=O)N[C@@H](C)c2ncon2)c1 95994433 RVSJVRACQXXYKD-QMMMGPOBSA-N 249.245 2.008 0 40 BEAB Cc1ccsc1COC(=O)c1cnn(C)c1 97047380 IVDJOIODJZEDQG-UHFFFAOYSA-N 236.296 2.147 0 40 BEAB N[C@H]1CC[C@H](NCc2ccccc2F)CC1 100173860 UAPGSJFRRQKPEX-TXEJJXNPSA-N 222.307 2.185 0 40 BEAB Cc1ccc(C(=O)CC(=O)C(F)(F)F)o1 100631146 DAWIAMPYBTWSLY-UHFFFAOYSA-N 220.146 2.292 0 40 BEAB in-vitro CC(=O)O[C@H]1CC[C@H]2C[C@H]1CC[C@H]2OC(C)=O 100733690 KTYSVMZPWITXDP-FNFFVJSTSA-N 240.299 2.060 0 40 BEAB Cc1cc2[nH]c(=S)n(C(C)C)c(=O)c2[nH]1 101388817 QMNXEXISWVVQKM-UHFFFAOYSA-N 223.301 2.277 0 40 BEAB C[C@H]1CCCC[C@@H]1N(C)CCn1ccnc1 119999180 ANXANKBEWPXVKS-STQMWFEESA-N 221.348 2.394 0 40 BEAB Cc1ccc([S@](=O)Cc2ccccn2)nc1 191184546 LGPFGTHRVRFHEM-MRXNPFEDSA-N 232.308 2.093 0 40 BEAB Cc1cccc(-c2nc(N)n(C)c2C)c1 199560452 VLZDCSKHUVHRJU-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB Cc1cc(C(=N)N)c(Br)cc1F 199752380 IIDPIGATQORKRO-UHFFFAOYSA-N 231.068 2.181 0 40 BEAB CC1(C)C[C@@]23CC(=O)C[C@H]2[C@H]1CC[C@H]3C(=O)O 253390539 RBEOLCQUJOIXDY-YAMSLAJTSA-N 236.311 2.493 0 40 BEAB biogenic,in-vitro Cc1c[nH]nc1[C@H]1CCN(Cc2cccnc2)C1 257237855 HIMTWKHQLQMUCM-ZDUSSCGKSA-N 242.326 2.103 0 40 BEAB OCc1cnoc1-c1ccccc1Cl 258434630 FYZHYSAXMUONOD-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB CC(C)(C)OC(=O)NC12CCC(CN)(CC1)C2 306145678 NIMYUYPOQOYECS-UHFFFAOYSA-N 240.347 2.173 0 40 BEAB Cc1nc(N2CCC(N(C)C)CC2)sc1C 335732846 DRRASQLKEUZPOC-UHFFFAOYSA-N 239.388 2.290 0 40 BEAB CC(C)[C@H](C(=O)c1ccc2c(c1)OCO2)N(C)C 575419574 SZMQLCSYJQIPAH-CYBMUJFWSA-N 249.310 2.184 0 40 BEAB in-vitro CCC[C@H](CC(=O)O)NC(=O)/C=C(\C)C1CC1 585139819 FSYMCYCXWUJUSN-MXMFLMJRSA-N 239.315 2.102 0 40 BEAB Cc1c(F)ccc(-c2ncn(C)n2)c1F 2362801330 FSJKVXOVECUCNB-UHFFFAOYSA-N 209.199 2.069 0 40 BEAB CC(C)(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1 979816 OWCKXNANCYSNBR-DHZHZOJOSA-N 244.294 2.164 0 40 BEAB CCNC(=O)COc1ccc(Cl)c(C)c1 1616549 FGMKHPICSRWGCC-UHFFFAOYSA-N 227.691 2.163 0 40 BEAB CCN(CC)C[C@H](O)c1ccccc1F 1671881 SHKYAYDSKYMSOT-LBPRGKRZSA-N 211.280 2.201 0 40 BEAB Cc1cc(C)n2c(C(=O)C(F)(F)F)cnc2n1 1796916 RRZXWHBFGIMGPI-UHFFFAOYSA-N 243.188 2.091 0 40 BEAB OCCCNc1nc2ccccc2s1 1886338 ADNDUCNVJUIWSQ-UHFFFAOYSA-N 208.286 2.091 0 40 BEAB COC(=O)Nc1nc2ccccc2s1 3195665 YKWJTPUXFFRTFG-UHFFFAOYSA-N 208.242 2.475 0 40 BEAB CCC[C@H](O)[C@@](O)(CC)c1ccc(OC)cc1 3845071 MIOADXDWQIJHDT-UONOGXRCSA-N 238.327 2.454 0 40 BEAB biogenic CC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 5427589 NHLGLJRTKOZKDL-UHFFFAOYSA-N 247.294 2.287 0 40 BEAB C[C@@H](C(=O)NC1CCCCC1)n1cccc1 6808574 UPULWQQVESGHSQ-NSHDSACASA-N 220.316 2.498 0 40 BEAB CCNC(=S)Nc1cccnc1Cl 7571111 CBTOUUNENKCWTH-UHFFFAOYSA-N 215.709 2.041 0 40 BEAB CCC1CCC(C(=O)N2CCOCC2)CC1 8662598 GJNLNOXWSICPTM-UHFFFAOYSA-N 225.332 2.062 0 40 BEAB CCOc1ccccc1NC(=O)c1csnn1 9250914 BNYPVZZBHINFJS-UHFFFAOYSA-N 249.295 2.189 0 40 BEAB O=C1N[C@@H](c2cccc(O)c2)Nc2ccccc21 9609864 ICEUSXUWDXWTRZ-ZDUSSCGKSA-N 240.262 2.246 0 40 BEAB CC(C)CCC(=O)NCc1ccc2c(c1)OCO2 9954778 KARMSTOUWMRFQA-UHFFFAOYSA-N 249.310 2.468 0 40 BEAB COc1ccc(/C=C2/CCOC2=O)cc1 12341336 MBSKMEQHKIKWQZ-NTMALXAHSA-N 204.225 2.026 0 40 BEAB C[C@H](CC(=O)NCc1ccccc1)n1ccnc1 12699454 GCOSGXJCJBOLMI-GFCCVEGCSA-N 243.310 2.151 0 40 BEAB Cc1ccc(CNC(=O)NCC2CC2)cc1F 12985369 WHSPUEWAWBMIFV-UHFFFAOYSA-N 236.290 2.343 0 40 BEAB O=C(N[C@@H]1CCc2ccccc21)c1cccnc1 13011507 MNVFJLYUZJMWCD-CQSZACIVSA-N 238.290 2.499 0 40 BEAB COc1ccc(C2=CCN(C)CC2)cc1 13604474 MTTSRPOEHMMBGE-UHFFFAOYSA-N 203.285 2.414 0 40 BEAB COCCCOc1ccc(Cl)cc1N 14629355 PINRTDKGFKITJL-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB CCNC(=O)[C@H](CC)Oc1cccc(C)c1 20482112 HBHRBZNVVUXEQZ-LBPRGKRZSA-N 221.300 2.289 0 40 BEAB Cc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1 23185397 IPTUTSLFWASAIY-GFCCVEGCSA-N 246.310 2.071 0 40 BEAB Cc1cccc(CNCc2cccc(C)n2)n1 34572295 HUMBKTHJRGPSNI-UHFFFAOYSA-N 227.311 2.383 0 40 BEAB in-vitro O=C(O)c1cc(C(F)(F)F)cc(Cl)n1 35587176 TVUNLKOAOAHOBJ-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB in-vitro CC[C@H](NC(=O)CCC(=O)O)c1ccccc1 35670945 WXXLWKGBJPLOCH-NSHDSACASA-N 235.283 2.119 0 40 BEAB CCOC(=C[C@@H](O)C(C)(C)C)OCC 38283625 CNEVMGLWXAXEAK-SECBINFHSA-N 202.294 2.308 0 40 BEAB O=C(c1ccncc1)N1CCOc2ccccc21 40090298 NFAOAMUVQMMSEA-UHFFFAOYSA-N 240.262 2.121 0 40 BEAB CNCc1nc2ccccc2n1CC(C)C 40163800 DEVPLTRXKWKXDR-UHFFFAOYSA-N 217.316 2.412 0 40 BEAB CC(C)c1cc(NC(=O)c2cccnc2)[nH]n1 49044578 CZEMSKHGPMRHFZ-UHFFFAOYSA-N 230.271 2.180 0 40 BEAB CCNCCNc1ccnc2ccccc12 54267215 IECOMIAXBCWXQA-UHFFFAOYSA-N 215.300 2.256 0 40 BEAB CCC(=O)NCCOc1cc(C)cc(C)c1 55526330 GOSGRLMQQFUSGM-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB CN(c1ncnc2[nH]ccc12)C1CCCC1 66261937 IQELVAHZGXJFFN-UHFFFAOYSA-N 216.288 2.337 0 40 BEAB c1ccc([C@@H]2CCCN2c2ncccn2)nc1 67447790 XBGRUEGKQDPZEO-LBPRGKRZSA-N 226.283 2.213 0 40 BEAB CC(C)(C)CC(=O)NC[C@H](O)Cc1ccccc1 70639123 RYDJJJWAKWEXNY-CYBMUJFWSA-N 249.354 2.142 0 40 BEAB COc1cccc(-c2cc(Cl)nc(N)n2)c1 72193108 ULEVPPCKUXIGEJ-UHFFFAOYSA-N 235.674 2.388 0 40 BEAB CC(=O)N1CCC[C@H]1c1cc(C)ccn1 72211179 YMKWQAFQFZGMKO-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CC(=O)N1CCC[C@H]1c1cccnc1C 72211284 DFJPGEFORLHCPL-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB O[C@H]1CCC[C@H]1CNc1cnc2ccccc2n1 89167355 QBPBPYDTDATWNA-GWCFXTLKSA-N 243.310 2.203 0 40 BEAB O=C(O)c1ccc(SC(F)(F)F)cn1 91252883 GSYJGMIPFFXORY-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB CNC(=O)C(C)(C)CNC[C@H]1CCC[C@@H](C)C1 92567674 HEMOVWJQYKYWPX-NEPJUHHUSA-N 240.391 2.175 0 40 BEAB CCCN(Cc1ccco1)CC1CCNCC1 94011826 XWIFZZZRKXRSPQ-UHFFFAOYSA-N 236.359 2.491 0 40 BEAB c1nn(C2CCCC2)cc1C1CCNCC1 95097684 VIDQQBCDATZQHT-UHFFFAOYSA-N 219.332 2.465 0 40 BEAB O[C@H](c1ccc(Cl)nc1)C(F)(F)F 96528090 SPONQQBDNAPFFT-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB COC[C@H](C)NC[C@@H](C)c1cccs1 97017008 CMIZNHIETVTVIO-ZJUUUORDSA-N 213.346 2.476 0 40 BEAB Cc1noc(-c2nc(-c3cccc(F)c3)no2)n1 98212323 GXDQDZOFBKSZLD-UHFFFAOYSA-N 246.201 2.234 0 40 BEAB Cc1cccc(-n2nc3c(c2O)CCC3)c1 100070235 OBUHCWUJNZSHJL-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB O=C1[C@@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C2 100800524 PDLKQXJZJXLNBA-HNCHTBHHSA-N 208.301 2.297 0 40 BEAB COCCC1(C(=O)N2C[C@H]3CC[C@H]2C3)CCC1 101645176 NFNAPYWOFUZBFF-RYUDHWBXSA-N 237.343 2.204 0 40 BEAB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cn[nH]c1 130491498 GJVCCBQXYJDIDX-ZETCQYMHSA-N 248.286 2.147 0 40 BEAB Cc1cc(NC(=S)NC2CC2)ncc1Cl 224030365 JUOOTPUXKRVWEZ-UHFFFAOYSA-N 241.747 2.492 0 40 BEAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)C1CC1 225596107 QEMQQXOYDANOBH-SNVBAGLBSA-N 245.322 2.079 0 40 BEAB COP(=O)(OC)[C@H](O)[C@H]1CC=CCC1 238360879 JWPDKPCAOFVQNW-IUCAKERBSA-N 220.205 2.147 0 40 BEAB Cn1c(Br)nc2c(Cl)ccnc21 307244149 KZRNFZWBDLUKHJ-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CC(C)CCSc1ncc(C(=O)O)cn1 8730890 KWNRAAQHHCRFPL-UHFFFAOYSA-N 226.301 2.313 0 40 BEAB Cc1nc(CNC(=O)c2cccnc2)sc1C 41538342 GGPZYAOOZADKFA-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB C[C@@H](NC(=O)c1ccc(=O)oc1)c1ccccc1 550150 QUTXSERKGMGPSH-SNVBAGLBSA-N 243.262 2.131 0 40 BEAB Cc1nnc(S[C@H]2CCCCC2=O)s1 37485677 XMGJPMNSPKPFLZ-QMMMGPOBSA-N 228.342 2.450 0 40 BEAB CCN1CC[C@H](CNCc2cccs2)C1 37484186 HFLCJDWLDXYTHT-LLVKDONJSA-N 224.373 2.180 0 40 BEAB Cc1cc(NC(=O)N[C@@H](C)c2ccccn2)no1 44889588 ABSORLAHGGPNAT-VIFPVBQESA-N 246.270 2.261 0 40 BEAB CCCCC(=O)N1CCC[C@H](COCC)C1 62108245 BDBOLPPDBXVHSC-LBPRGKRZSA-N 227.348 2.452 0 40 BEAB c1ccc(-n2nccc2[C@H]2CCCNC2)cc1 62146713 IUYGSIPVDQCHKJ-LBPRGKRZSA-N 227.311 2.339 0 40 BEAB CC(C)CC(=O)NC(=O)NCCc1ccccc1 2198703 WFKQHFWLPIPAHR-UHFFFAOYSA-N 248.326 2.101 0 40 BEAB CCO[C@@H](CNC)c1c(F)cccc1F 62711593 JBBIAFKKCXPUAK-JTQLQIEISA-N 215.243 2.262 0 40 BEAB Cc1cc(-c2ccc(C=O)s2)nn1C 64219847 WEOXSQVVXYHRQZ-UHFFFAOYSA-N 206.270 2.270 0 40 BEAB Cc1cccc(-c2nnc([C@H](C)N)o2)c1 11586086 RWBQLBGEBWWCEE-QMMMGPOBSA-N 203.245 2.065 0 40 BEAB N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 49648357 UHQDZBZXNKWKHF-VIFPVBQESA-N 245.109 2.057 0 40 BEAB in-vitro CCOC(=O)COc1cc(C)ccc1C 8951845 ZEVKJPPBNRORJJ-UHFFFAOYSA-N 208.257 2.245 0 40 BEAB Cc1nc(-c2ccccc2)nc(C)c1CN 20274788 QIUCVDWVZHKQBY-UHFFFAOYSA-N 213.284 2.219 0 40 BEAB Nc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 19505633 OPCMOBZOGLGRKI-UHFFFAOYSA-N 228.177 2.073 0 40 BEAB in-vitro CCOC(=O)[C@@H]1CC2(CCCC2)N2CCC[C@@H]12 14987548 SQVGKJHPVVUQEZ-NEPJUHHUSA-N 237.343 2.347 0 40 BEAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1OC 19799110 RMDVYNKTMPJSLD-ZDUSSCGKSA-N 223.316 2.472 0 40 BEAB Cc1cc(C)c2c(-n3cccc3)n[nH]c2n1 8578088 FGIWFQSFCNQKNJ-UHFFFAOYSA-N 212.256 2.365 0 40 BEAB O=C(N[C@@H]1CCCCNC1)OCc1ccccc1 95080448 MOANXMDVDCOFBM-CYBMUJFWSA-N 248.326 2.055 0 40 BEAB in-vitro CCCC[C@H](CC)CNC(=O)N[C@H](CC)CO 84742945 LUCJWJGLCCSFHO-NWDGAFQWSA-N 244.379 2.273 0 40 BEAB CC[C@@H]1c2ccccc2CCN1CCC(=O)O 95960018 JHCXSPBNBNGBOI-CYBMUJFWSA-N 233.311 2.471 0 40 BEAB Cc1nn(C)c(C)c1OCc1ccn(C(C)C)n1 89512332 CTMRRQXEPAWPSC-UHFFFAOYSA-N 248.330 2.393 0 40 BEAB NC(=O)c1ccc(-c2ccc(Cl)cc2N)o1 73640471 ZZBMYULLMQJBRT-UHFFFAOYSA-N 236.658 2.281 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@H]1N3)O2 72398203 HYWWUAGPPPYSGD-ONERCXAPSA-N 243.306 2.223 0 40 BEAB CCCCN1N[C@@](C)(CCCC)NC1=S 225347993 LZZYUMLPTIUXQU-NSHDSACASA-N 229.393 2.388 0 40 BEAB N[C@H]1C[C@H](C(F)(F)F)Cc2occc21 85399129 WTRHZUQGCLVJNE-FSPLSTOPSA-N 205.179 2.404 0 40 BEAB CCc1ccc(-c2cnn(CCO)c2)cc1 49816104 ZFYWWAGUNUKJJI-UHFFFAOYSA-N 216.284 2.105 0 40 BEAB CCOc1ccc2c(c1)c(CN)c(C)n2C 82597254 HHOVEXMTHKXQSI-UHFFFAOYSA-N 218.300 2.344 0 40 BEAB Cc1ccc(OCc2cc(N)n(C)n2)c(C)c1 41257560 WDSGTPPNLWXDSI-UHFFFAOYSA-N 231.299 2.198 0 40 BEAB CC(=O)OCC[C@H](C)CC[C@@H](O)C(C)(C)F 95470360 HDLMFYXQXJIEQK-MWLCHTKSSA-N 234.311 2.465 0 40 BEAB Cc1nc(Cl)cc(C(=O)NC2CCCC2)n1 96182680 LDGISUMRWMSART-UHFFFAOYSA-N 239.706 2.111 0 40 BEAB O=Cc1cc2ncc(Br)cc2[nH]1 96306876 IUUGIQUEODCZKJ-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB CCOc1ccc2c(c1)[C@@H](CC(=O)OC)CO2 585656402 UWSBZQFOJJCQSS-VIFPVBQESA-N 236.267 2.124 0 40 BEAB Cc1cc(C(=O)N(C)Cc2ccccc2F)no1 49929357 FPAQFAJSBASIQI-UHFFFAOYSA-N 248.257 2.394 0 40 BEAB CC(C)(C)OC(=O)N1CC=C(CC(=O)O)CC1 59979938 HNZFCCYNOVJEHT-UHFFFAOYSA-N 241.287 2.028 0 40 BEAB Nc1ncnc2c1ccn2Cc1ccccc1 1698090 MVGFGIPARVXFKB-UHFFFAOYSA-N 224.267 2.062 0 40 BEAB CC[C@@H](C)NC(=S)Nc1ccc(C)cn1 225274158 WWVOZGNCXLMFFE-SECBINFHSA-N 223.345 2.475 0 40 BEAB COc1ccc(/C=C\C=C/C(=O)O)cc1OC 17156617 JRKSVIUQRJEQDF-GLIMQPGKSA-N 234.251 2.358 0 40 BEAB COc1ccc([C@H](NN)c2cccs2)cc1 161785702 OIIDSHCAGMWTKB-LBPRGKRZSA-N 234.324 2.309 0 40 BEAB CC(C)(C)CC(=O)Nc1nnc2ccccn12 30712701 RHMYUYYIBYITCL-UHFFFAOYSA-N 232.287 2.104 0 40 BEAB Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)no1 51996174 YZNQZLISJYICKU-STQMWFEESA-N 236.315 2.126 0 40 BEAB COc1cc(C)c(CCCC(=O)O)cc1OC 20444088 OKTKNTNHBLBCSH-UHFFFAOYSA-N 238.283 2.420 0 40 BEAB CCOC(=O)Cc1c(F)ccc(C)c1F 43503491 FFJYSQVMDGCGJV-UHFFFAOYSA-N 214.211 2.379 0 40 BEAB C=Cc1cccc(C(=O)C(=O)OCC)c1 43504644 MLRAMIISVAPYOH-UHFFFAOYSA-N 204.225 2.075 0 40 BEAB COc1ccc2c(/C=C/C(=O)O)c[nH]c2c1 20269245 HOLXNSPTMBYOAM-GORDUTHDSA-N 217.224 2.274 0 40 BEAB in-vitro Cc1cc(C(=O)N(Cc2ccco2)C2CC2)on1 40497026 XBCXMRUYDVIOSS-UHFFFAOYSA-N 246.266 2.381 0 40 BEAB c1ccc2c(c1)CCN=C2[C@H]1CCCO1 499265 LSHRXRTVJOAZIR-GFCCVEGCSA-N 201.269 2.211 0 40 BEAB Nc1cc(SCc2ccccc2)ncn1 1675806 CVJGLBUFWQFQDV-UHFFFAOYSA-N 217.297 2.351 0 40 BEAB O=C(O)c1ccc([C@H]2CCCC[C@@H]2O)cc1 1748065 MNOUEENIDCJOOZ-NEPJUHHUSA-N 220.268 2.403 0 40 BEAB O=C1CCCc2nc(NCc3ccco3)ncc21 2444035 FRYQDNQBHLNDPL-UHFFFAOYSA-N 243.266 2.201 0 40 BEAB CN1CC=C(c2ccc3n[nH]cc3c2)CC1 2526952 XMNMKECUETVISF-UHFFFAOYSA-N 213.284 2.282 0 40 BEAB CCCNC(=O)Nc1ccc(C(=O)OC)cc1 3155344 HXZKZMRHOGVZMW-UHFFFAOYSA-N 236.271 2.005 0 40 BEAB O=C(NCc1ccco1)[C@H]1C[C@H]2CC[C@@H]1C2 4975563 QECZLPBEKKZRFH-UMNHJUIQSA-N 219.284 2.332 0 40 BEAB CCc1ccc(NC(=O)CCC(=O)OC)cc1 5318440 UOVVSOBVECYELX-UHFFFAOYSA-N 235.283 2.141 0 40 BEAB Cc1ccc2onc(CC(=O)NC(C)C)c2c1 6838915 FFAUJRJARGVCCO-UHFFFAOYSA-N 232.283 2.203 0 40 BEAB Cc1ccc(C(=O)O)cc1-n1cccc1C=O 8701966 FSCXRLWOKQANAC-UHFFFAOYSA-N 229.235 2.296 0 40 BEAB CO[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1 12489575 QNYVXKQKMPCTFY-AWEZNQCLSA-N 249.285 2.477 0 40 BEAB O=C(NCc1cccnc1)c1cc(Cl)ccn1 12539184 GDLYHEHQBRVQQG-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB COc1ccc(NC(=O)c2ccccc2O)cn1 12542392 CUBMWRBUGWSEPS-UHFFFAOYSA-N 244.250 2.048 0 40 BEAB CCCOc1ccc(CO)cc1OCC 12911880 IRMDUNVMRDDBJK-UHFFFAOYSA-N 210.273 2.366 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1F 12979419 NDKGSXPHKMSDJX-GXSJLCMTSA-N 221.275 2.440 0 40 BEAB Clc1ccc2c(c1)cc1n2CCNC1 13586842 QKGDOWUCRMVFPY-UHFFFAOYSA-N 206.676 2.398 0 40 BEAB in-vivo COCCNC(=S)Nc1cc(F)ccc1C 13840439 XQZJNCJKLCDCDO-UHFFFAOYSA-N 242.319 2.067 0 40 BEAB C[C@H](CC(=O)O)CC(=O)c1cccs1 15441798 KJUUVTWVCRWMBQ-ZETCQYMHSA-N 212.270 2.432 0 40 BEAB COc1ccc(CNc2cnn(C)c2)c(OC)c1 20350274 QXNOZWLZRIMZJO-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB in-vitro Cc1nn(C)cc1CNCc1cccs1 20351169 FSYCJYDHPWTUDP-UHFFFAOYSA-N 221.329 2.080 0 40 BEAB CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20488084 PFQQYWKDKAOBLN-LLVKDONJSA-N 221.300 2.125 0 40 BEAB CCCc1nn(-c2ccccn2)c(N)c1C 26512233 KBYDJWWQQCXPBR-UHFFFAOYSA-N 216.288 2.110 0 40 BEAB CC[C@H](CO)Nc1nc2ccccc2s1 35111880 BGWKSVRBXJMGOF-MRVPVSSYSA-N 222.313 2.479 0 40 BEAB CCONC(=O)[C@@H](C)Oc1cccc(C)c1C 36393839 BHWOATZDNFHBTK-LLVKDONJSA-N 237.299 2.138 0 40 BEAB CCOc1cccc(CN[C@@H]2CCC[C@@H]2O)c1 37690269 FSBDQZLIVYFOAR-KGLIPLIRSA-N 235.327 2.088 0 40 BEAB c1ccc2sc(N[C@H]3CCCNC3)nc2c1 40434214 RFCWVOGYAWHRIK-VIFPVBQESA-N 233.340 2.460 0 40 BEAB CCOC(=O)c1noc2cc(OC)ccc12 40434553 VLXHPBNAZNALMW-UHFFFAOYSA-N 221.212 2.013 0 40 BEAB in-vitro Cc1ccc(N)cc1C(=O)N(C)C(C)C 41031643 IBVOTNSNBHZFLB-UHFFFAOYSA-N 206.289 2.058 0 40 BEAB in-vitro O=C(c1ccccc1)N1CCO[C@H]2CCCC[C@H]21 41194607 CVTYJDOOFJNMQB-KGLIPLIRSA-N 245.322 2.470 0 40 BEAB CN(C)C(=O)CCOc1cccc(Cl)c1 42751995 GGUXCWYYWWNKDN-UHFFFAOYSA-N 227.691 2.197 0 40 BEAB Cc1ccc(C(=O)Nc2ncc(C)s2)cn1 44895872 ZOJQLFKGGJPJHA-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=C(O)c1ccc(-c2ccncc2)cc1O 47216577 DKTWIAGEOMXUHC-UHFFFAOYSA-N 215.208 2.152 0 40 BEAB CCC[C@@H](C)NC(=O)Nc1cccnc1OC 48302003 XZXBESVOFCCXBD-SECBINFHSA-N 237.303 2.400 0 40 BEAB Cc1cc(NC(=O)Cc2ccccc2C)[nH]n1 48602475 XPXMFIHDGYGWGN-UHFFFAOYSA-N 229.283 2.208 0 40 BEAB CN(C)c1ccc(C(=O)NCC2CC2)cc1F 49423308 OARUYICIPIGECH-UHFFFAOYSA-N 236.290 2.032 0 40 BEAB COC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 64032651 HUSNZWYHFRIZPG-PSASIEDQSA-N 205.257 2.147 0 40 BEAB CC[C@H](C)N(C)CCNC(=O)N(C)[C@@H](C)CC 66195680 GNAIUIWBOFSJLF-RYUDHWBXSA-N 243.395 2.157 0 40 BEAB Fc1ccc2c([C@@H]3CCNC3)c[nH]c2c1 70453470 BVCGGWSWVISFKH-MRVPVSSYSA-N 204.248 2.384 0 40 BEAB Cc1cc(CCC(=O)O)cc([C@@H]2CCCN2C)n1 72384582 WYWSUISYDFUGLB-ZDUSSCGKSA-N 248.326 2.174 0 40 BEAB Cc1nc2scc(C3CC3)n2c1C=O 78210750 UFCKNCUHZMOQSN-UHFFFAOYSA-N 206.270 2.394 0 40 BEAB in-vitro COCc1nc(Cl)cc(NC(C)C)n1 82509817 HKXDMAZBAQRBKH-UHFFFAOYSA-N 215.684 2.097 0 40 BEAB CC1(C)CC(=O)CN1Cc1ccccc1 88611794 NTSWGFCAFRJPKH-UHFFFAOYSA-N 203.285 2.240 0 40 BEAB in-vitro O=C(O)C(=O)c1cc(F)cc(C(F)(F)F)c1 95740246 MGUWNFRZVWANAW-UHFFFAOYSA-N 236.120 2.112 0 40 BEAB CC(C)(C)OC(=O)CS[C@H]1CCCOC1 96001698 PKXOCPPBJDQEIY-VIFPVBQESA-N 232.345 2.240 0 40 BEAB C[C@H]1CC[C@@H]1COc1ccc(C(=O)O)cn1 96526335 JUJIAYNGADBWRB-WCBMZHEXSA-N 221.256 2.205 0 40 BEAB C[C@H]1OCC[C@@H]1Sc1ccc2nccnc2n1 97021248 AGQPHFRTFSHPNK-SCZZXKLOSA-N 247.323 2.294 0 40 BEAB Cc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)no1 98018865 MWIOJYUTPGIFQY-QWRGUYRKSA-N 234.299 2.245 0 40 BEAB COC(=O)C1=C(C)O/C(=C2/C=CC=CN2)C(C)=C1 100570766 BVBSRWILZKLUQR-SEYXRHQNSA-N 245.278 2.295 0 40 BEAB biogenic CC[C@]1(C)Cc2ccccc2/C(=C\C(=O)NC)N1 100748691 CFXIRKHVEORDTD-BMQCOBNYSA-N 244.338 2.088 0 40 BEAB biogenic C1CCC(N2CCN[C@@H]3CCCC[C@H]32)C1 218827772 ZWKJNDZNZSTNMG-CHWSQXEVSA-N 208.349 2.145 0 40 BEAB COC(=O)c1cn(C(=O)C2CC2)c2ccccc12 222650474 NSLOSKKAGVDLKC-UHFFFAOYSA-N 243.262 2.478 0 40 BEAB Cc1cc(C)c(N)c(N[C@H](C(=O)O)C(C)C)c1 223776623 NRWWOJYNCWOCGV-LBPRGKRZSA-N 236.315 2.407 0 40 BEAB O=C(CC1=CCCCC1)Nc1cnns1 225495440 ZDZNWXFZTXJTOV-UHFFFAOYSA-N 223.301 2.367 0 40 BEAB OCc1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 225604467 OVVBWEHDEHIPHK-UWVGGRQHSA-N 226.279 2.487 0 40 BEAB COC(=O)c1cccc(C(=O)[C@@H](C)Cl)c1 379933876 WSPLXYAFEHWGBV-SSDOTTSWSA-N 226.659 2.283 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](CO)C[C@H]21 953119707 DJGRWWPSKGQVAE-HBNTYKKESA-N 241.331 2.014 0 40 BEAB CC(C)(C)OC(=O)N1CCc2cc(O)ncc21 1772715220 ABURLLTVDKSNSI-UHFFFAOYSA-N 236.271 2.085 0 40 BEAB Nc1ccc2nc(C3CC3)cc(C(=O)O)c2c1 1857793912 USIHPHNCKDMZSC-UHFFFAOYSA-N 228.251 2.393 0 40 BEAB Cc1ncnc(C(=O)N[C@H]2CC[C@H](C)CC2)c1C 1888834169 QSYBBJWOUDDPQA-OTCDBFHCSA-N 247.342 2.402 0 40 BEAB O=CNc1ncc(C(F)(F)F)cc1Cl 157912 VSCDUYMXABRVQB-UHFFFAOYSA-N 224.569 2.322 0 40 BEAB O=C(CSc1cccc[n+]1[O-])c1ccccc1 164049 MKNZGOPMKVYLLT-UHFFFAOYSA-N 245.303 2.295 0 40 BEAB COC(=O)c1ccccc1OC(=O)C(C)C 364011 JZKDWCKXMBAXIX-UHFFFAOYSA-N 222.240 2.035 0 40 BEAB CC(C)c1cc(Cl)ccc1OCC(N)=O 1685211 RZBJKSGNEHSBQW-UHFFFAOYSA-N 227.691 2.328 0 40 BEAB COc1ccc2[nH]cc([C@H](C)CN)c2c1 2035314 PLKJXFPRSHOODN-MRVPVSSYSA-N 204.273 2.239 0 40 BEAB COC(=O)CC(=O)c1c(C)cc(C)cc1C 2575899 QZRBMAZJIXBVOZ-UHFFFAOYSA-N 220.268 2.358 0 40 BEAB O[C@@H](Cn1nnc2ccccc21)c1ccccc1 2639041 HPHYPQQQONNOLW-AWEZNQCLSA-N 239.278 2.165 0 40 BEAB CC(C)(C)C(=O)OCC(=O)Nc1ccccc1 3216985 BUKJDRBJPPBLLU-UHFFFAOYSA-N 235.283 2.214 0 40 BEAB O=C1[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCC1 4151634 NCTHTNCTMQAJDU-WOPDTQHZSA-N 207.317 2.230 0 40 BEAB CCCCN1C(=O)NC(=O)[C@H]1c1ccsc1 4991192 ZNNDYYNUWFWTBO-SECBINFHSA-N 238.312 2.141 0 40 BEAB C[C@H]1CCC[C@@H](NC(=S)NC2CC2)[C@@H]1C 7526490 FKBYCYJTJOSXCB-IQJOONFLSA-N 226.389 2.438 0 40 BEAB O=c1[nH]c(NCc2ccco2)nc2ccccc12 8017893 VNRKFHNFMBEQFE-UHFFFAOYSA-N 241.250 2.128 0 40 BEAB NC(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 9641072 WAHKAYSBXRAGRE-SNVBAGLBSA-N 244.294 2.080 0 40 BEAB CC(C)NC(=O)C1(c2ccccc2)CC1 12973907 CYRRLIBHCRJMNR-UHFFFAOYSA-N 203.285 2.243 0 40 BEAB Cc1cccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 13320069 MVPYMUWRFGFCQJ-JSGCOSHPSA-N 247.338 2.221 0 40 BEAB Cc1ccc(OCCN2CCCC2)c(N)c1 13992561 CLRJAAULBZTFMM-UHFFFAOYSA-N 220.316 2.052 0 40 BEAB CCCSc1nnc(-c2ccccc2)n1N 14406137 ONYAJVIYNNBJCJ-UHFFFAOYSA-N 234.328 2.161 0 40 BEAB C[C@@H](O)CN(C)C(=O)Nc1cccc(Cl)c1 16576393 XGXGCTAXERNRCM-MRVPVSSYSA-N 242.706 2.185 0 40 BEAB CCCNC(=S)Nc1cccc([C@H](C)O)c1 16678222 AFIWLYSTAYQVCJ-VIFPVBQESA-N 238.356 2.436 0 40 BEAB Cc1ccc(C)c2nc3c(cc12)CNCCO3 19134716 IMLPUGPNFHYSON-UHFFFAOYSA-N 228.295 2.334 0 40 BEAB CC(C)CC(=O)NCc1ccc(C(=O)O)cc1 19280770 NSCQUVFNAULNDA-UHFFFAOYSA-N 235.283 2.047 0 40 BEAB Cc1csc(CNC(=O)[C@H]2CC=CCC2)n1 21482099 MIKOKYALHHAZAI-JTQLQIEISA-N 236.340 2.424 0 40 BEAB OCc1c(Br)ccc(F)c1F 21985434 PQCCBLCCPKTSHG-UHFFFAOYSA-N 223.016 2.220 0 40 BEAB in-vitro CC(C)[C@@H](NC(=O)CCC1CCCC1)C(=O)O 22211944 HVSXCIAKZVKELS-GFCCVEGCSA-N 241.331 2.182 0 40 BEAB C[C@H](NC(=O)c1cnccn1)c1cccs1 22976238 CRCMKMIFFKXNJF-QMMMGPOBSA-N 233.296 2.029 0 40 BEAB C[C@H]1CN(c2ccc(N)cc2F)C[C@@H](C)O1 26515017 FOXDRQYNTAHYRU-DTORHVGOSA-N 224.279 2.022 0 40 BEAB in-vitro CC(C)CNC(=O)c1ccc(F)c(F)c1F 28210553 NSJSIADGPWENFX-UHFFFAOYSA-N 231.217 2.490 0 40 BEAB C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1 32012604 MCDIIVJZXXFTDP-LDYMZIIASA-N 211.692 2.389 0 40 BEAB in-vitro COC(=O)[C@@H](O)c1c(Cl)cccc1Cl 34511153 YTXDYJZMRKNVTQ-QMMMGPOBSA-N 235.066 2.200 0 40 BEAB O=C(O)[C@H]1CCCO[C@H]1c1ccccc1 36379620 PLTXACXZZGZCLU-QWRGUYRKSA-N 206.241 2.239 0 40 BEAB CCCN1C(=O)C[C@@H](c2ccc(C)cc2)NC1=O 39042791 OWMKBYZUSHPFPF-LBPRGKRZSA-N 246.310 2.388 0 40 BEAB COCC(=O)N[C@@H](C)c1ccc(Cl)s1 40074605 JDCSZXKQAKRVSE-LURJTMIESA-N 233.720 2.225 0 40 BEAB Cc1cccc(OCCN2C[C@H](C)O[C@@H](C)C2)c1 40161793 IMIYYNWKYBWOJH-KBPBESRZSA-N 249.354 2.483 0 40 BEAB COc1ccc(C(=O)N(C)OC)c2ccccc12 40463075 GOTKIEUNJSXBIJ-UHFFFAOYSA-N 245.278 2.482 0 40 BEAB CCO[C@@H](C)C(=O)NCc1ccc(Cl)s1 40534053 CYNUCKHKZUCLMV-ZETCQYMHSA-N 247.747 2.443 0 40 BEAB O=C(c1cc(F)cc(F)c1)N1CCSCC1 40541975 LCAPQEWVAFAUOO-UHFFFAOYSA-N 243.278 2.154 0 40 BEAB Cc1cccc(C[C@H](C(=O)O)N2CCCCC2)c1 41299178 WDXBLXKRUWIMSR-CQSZACIVSA-N 247.338 2.477 0 40 BEAB COC(=O)c1sc2ccccc2c1CN 44250009 OGCGSQALZHWLMW-UHFFFAOYSA-N 221.281 2.147 0 40 BEAB in-vitro COc1cccc(-c2nc(CC(=O)O)c(C)o2)c1 49632727 ZHBPIRBPAYGTEI-UHFFFAOYSA-N 247.250 2.286 0 40 BEAB Cc1ccc(S[C@@H]2CCOC2=O)cc1 58848342 ATQVBQSZTNAVKI-SNVBAGLBSA-N 208.282 2.403 0 40 BEAB CC[C@H](C(=O)N1CCN[C@@H](C)C1)c1ccccc1 67800417 MORJXNXBCOPEET-JSGCOSHPSA-N 246.354 2.001 0 40 BEAB Cc1noc(C)c1NC(=O)CC[C@H]1CCCO1 68915064 GSVYXRDCNNTMSB-SNVBAGLBSA-N 238.287 2.189 0 40 BEAB CCOc1ccc2[nH]cc(CC(=O)O)c2c1 71487225 JADLKAXYGRNFKN-UHFFFAOYSA-N 219.240 2.194 0 40 BEAB c1ccc(-c2nc(CN3CCOCC3)co2)cc1 72181881 YBRKORVVGIGIMS-UHFFFAOYSA-N 244.294 2.174 0 40 BEAB CCOc1ncccc1[C@@H]1CCCN1C 72211824 FZYALRGLBBOCJI-NSHDSACASA-N 206.289 2.247 0 40 BEAB Cc1cc(Cl)ncc1[C@H]1CCCN1C=O 72217828 PDZRYFAQFJZDJI-SNVBAGLBSA-N 224.691 2.337 0 40 BEAB Cc1ccc(-c2cnc(C(=O)O)o2)s1 72219851 FROAPUGRCIUMKA-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB Cc1cc(N(C)Cc2ccccc2)ncc1CN 72223391 BCRLGSJCZIVNQE-UHFFFAOYSA-N 241.338 2.485 0 40 BEAB COC(=O)c1cc(Cl)cc2nc[nH]c12 73633845 YNWCMSGYTITKQT-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB CCCC(=O)N1CCN(C)c2ccccc21 74793091 VUPMFMFIWCYQNK-UHFFFAOYSA-N 218.300 2.270 0 40 BEAB Nc1ccc2[nH]c(C(F)(F)F)c(C(=O)O)c2c1 76688185 YUJCFFCYMIMTBG-UHFFFAOYSA-N 244.172 2.467 0 40 BEAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 82319260 HUFAIJPLJDLZBQ-ZJUUUORDSA-N 213.346 2.141 0 40 BEAB COC(=O)Cc1ccc2nc(C)ccc2c1 82777210 ALSYULINLJZXTB-UHFFFAOYSA-N 215.252 2.259 0 40 BEAB Fc1ccc(N2CCNCC2)c(F)c1Cl 83359323 NRGDQFXWQDHKOW-UHFFFAOYSA-N 232.661 2.028 0 40 BEAB CCn1nnc2cccc(Br)c21 84326070 MHBKWYIIYLQAQI-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB Cc1cc(C)cc(OC2(C(=O)O)CC2)c1 85392760 VBYBWSXAHKKXHV-UHFFFAOYSA-N 206.241 2.299 0 40 BEAB CCc1c[nH]c(SCCCOC)n1 89282714 WEXRWROKHSDYKY-UHFFFAOYSA-N 200.307 2.101 0 40 BEAB O=C([C@H]1CCCO1)N1CCC2(CCCCC2)C1 89818544 MHCNNHLDGSOLIS-GFCCVEGCSA-N 237.343 2.348 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1ccccc1OC 91692165 DXSIVBWICLKCAB-MNOVXSKESA-N 220.268 2.362 0 40 BEAB O=C(OC[C@@H]1CCCCN1)N1CCCCCC1 92742870 IGOWNROSUIINJN-LBPRGKRZSA-N 240.347 2.141 0 40 BEAB C1CCC(CN2CC[C@]23CCCNC3)CC1 96050969 JCGRMTKNJNLRDB-AWEZNQCLSA-N 222.376 2.395 0 40 BEAB CCCN(Cc1ccco1)C[C@H]1CCCNC1 96523667 WBKDXHIFLJPJEK-ZDUSSCGKSA-N 236.359 2.491 0 40 BEAB Cc1nnc(CN[C@@H](C)C2CCCCC2)o1 97109651 YBIOTYYKQISCBA-VIFPVBQESA-N 223.320 2.436 0 40 BEAB Cc1cc(NC(=O)NC2[C@H]3CCCC[C@H]23)no1 101477364 HGNMJUYIUMRZKS-IUCAKERBSA-N 235.287 2.293 0 40 BEAB CONC(=O)N[C@@H](C)C(C)(C)c1ccccc1 162867424 ZZQXOVWZVDLEAC-JTQLQIEISA-N 236.315 2.213 0 40 BEAB CCn1nccc1/C=C(\C)c1cnccn1 187650259 NZTSQHLYZJTMKJ-CSKARUKUSA-N 214.272 2.254 0 40 BEAB C[C@H]1C[C@H](C)CC[C@H]1NC[C@H](C)[S@@](C)=O 195560806 GWNOXSJHARWDTG-DXHVMGJMSA-N 231.405 2.168 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H]([C@@H](CN)CO)C2 225467337 OCNAGPQNZVNTGV-SBFPOUOMSA-N 211.349 2.016 0 40 BEAB Cc1cc(NC(=O)C2CC(F)(F)C2)sn1 335848611 XDSLMOJNYVPXFO-UHFFFAOYSA-N 232.255 2.435 0 40 BEAB C[C@@H](N)c1nc([C@H]2CCCSCC2)no1 575415022 JKBMUVKUIXMOCV-SFYZADRCSA-N 227.333 2.090 0 40 BEAB Nc1onc2cc(F)c(Br)cc12 2362803827 QHQKEYSDKYCHPO-UHFFFAOYSA-N 231.024 2.312 0 40 BEAB O=C(/C=C/c1ccco1)NCc1cccnc1 270857 NBOHOZOXFSNLGE-AATRIKPKSA-N 228.251 2.004 0 40 BEAB O=C(O)c1cnc(-c2ccccc2)nc1Cl 343497 QZZQDABCMAQWAS-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB COc1cc(OC)c(C(C)=O)c(C(C)=O)c1 1594128 BYELWSOMLSHXBV-UHFFFAOYSA-N 222.240 2.109 0 40 BEAB C[C@@H]1CC[C@H]2C(=O)C[C@@H](O)[C@H]3[C@@H]([C@H]12)C3(C)C 4104711 FVMMGLODIHOTCO-KBIZVYJKSA-N 222.328 2.255 0 40 BEAB biogenic,in-vitro CCCc1cc(=O)[nH]c(SC(C)C)n1 5154752 ONAPFSOGVNPWER-UHFFFAOYSA-N 212.318 2.223 0 40 BEAB O=C(O)C(c1ccc(O)cc1)c1ccc(O)cc1 5569597 SCBGJZIOPNAEMH-UHFFFAOYSA-N 244.246 2.314 0 40 BEAB in-vitro S=C1NCCN1c1ccc(Cl)cc1 5581017 CGQCFBKBXXSXIG-UHFFFAOYSA-N 212.705 2.035 0 40 BEAB Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)o1 9377503 AWPCLXPXZAUNOU-MRVPVSSYSA-N 207.273 2.425 0 40 BEAB Nc1n[nH]c(=S)n1-c1ccc(Cl)cc1 13140104 LFTXQTWZJPQRJA-UHFFFAOYSA-N 226.692 2.165 0 40 BEAB CC[C@@H](CNCCOC)Oc1ccc(C)cc1 19738047 GAAKDQIPJBBPNV-ZDUSSCGKSA-N 237.343 2.388 0 40 BEAB CCCCN1C(=O)C2=C(CCCC2)C1=O 20169451 INJNISDLRPIFHD-UHFFFAOYSA-N 207.273 2.026 0 40 BEAB FC(F)(F)COCC[C@H]1CCCCN1 20593559 LMDJCCVWUDRNOC-MRVPVSSYSA-N 211.227 2.098 0 40 BEAB O=C(Nc1ncccc1O)[C@@H]1CC=CCC1 22262965 UTBLDJJIUZEMHS-SECBINFHSA-N 218.256 2.082 0 40 BEAB CCN(CC)CCN1C[C@H]2CCCC[C@H]2C1 23477133 LDWNBSDGQACSSP-OKILXGFUSA-N 224.392 2.450 0 40 BEAB CCc1ccc(-c2cc(C(=O)O)n(C)n2)cc1 26420199 QDZHHSUPZFHQBA-UHFFFAOYSA-N 230.267 2.348 0 40 BEAB CCn1cc(C(=O)NC2CCCCC2)c(C)n1 28575431 CWZXVBFLKXFJGV-UHFFFAOYSA-N 235.331 2.274 0 40 BEAB CC(=O)N1c2ccccc2C(=O)C[C@@H]1C 32188921 GRMBWHSWBPDLBU-QMMMGPOBSA-N 203.241 2.014 0 40 BEAB in-vitro O=C(CNCC1CCC1)Nc1cccc(F)c1 37180638 UIIUGEPQASZSSU-UHFFFAOYSA-N 236.290 2.154 0 40 BEAB C[C@H](CN)c1ccccc1OC(F)F 37245658 VMHWBKCGBFBOQU-SSDOTTSWSA-N 201.216 2.350 0 40 BEAB CCC(=O)c1ccccc1-n1cccn1 38251813 GWKJMQIZQXISSV-UHFFFAOYSA-N 200.241 2.465 0 40 BEAB COC(=O)[C@H](c1ccccc1)N1CCCCC1 39348852 HWDNZLIVCGDZFU-ZDUSSCGKSA-N 233.311 2.387 0 40 BEAB CCc1ccc(OC[C@@H]2CCNC2)cc1 42773312 XMJMOKDDIYHANS-GFCCVEGCSA-N 205.301 2.237 0 40 BEAB Cc1nc(CC(=O)NC2CCCCC2)cs1 48302052 UORRPUIBARGIFC-UHFFFAOYSA-N 238.356 2.443 0 40 BEAB Cc1ccc(Sc2nc(=N)s[nH]2)cc1 53994434 KOICKUOHRFCPJD-UHFFFAOYSA-N 223.326 2.410 0 40 BEAB CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 55472922 MVUOQBOCDNIEBG-NSHDSACASA-N 222.263 2.302 0 40 BEAB CC(=O)[C@H]1C[C@H](c2ccc(F)cc2)OC1=O 57514571 LVAJVEXGXPATDJ-GHMZBOCLSA-N 222.215 2.019 0 40 BEAB COc1ccc2c(c1)CCN2C(=S)NC1CC1 58466111 JJMGSHOVORXWLX-UHFFFAOYSA-N 248.351 2.095 0 40 BEAB O=C(c1cccc(Br)n1)C1CC1 67802488 NSFFHOFMHKPCMC-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB CSCCC(=O)c1ccc2c(c1)OCCO2 69984310 CKDYPCRDKRXFQI-UHFFFAOYSA-N 238.308 2.394 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc(Cl)nc1 72211444 SUKRXTFKNKKTNE-SNVBAGLBSA-N 224.691 2.418 0 40 BEAB O=CN1CCCC[C@H]1c1ccc[nH]c1=S 72217093 RQCCYOAJQLBUBP-JTQLQIEISA-N 222.313 2.428 0 40 BEAB COc1ccc(CN2CCCC[C@H]2C)cn1 72313895 IRXGWVLTFZLTMB-LLVKDONJSA-N 220.316 2.465 0 40 BEAB COC(=O)c1ccc2c(c1O)CCCC2 75612823 AMBJIFDYCIFVBA-UHFFFAOYSA-N 206.241 2.058 0 40 BEAB Cc1nc(-c2ccccc2NC(=O)C2CC2)no1 76162824 NWVZIIBOVHZKGL-UHFFFAOYSA-N 243.266 2.394 0 40 BEAB Fc1ccc(Br)cc1CC1CNC1 77284892 JSVKEZSBCXVRLK-UHFFFAOYSA-N 244.107 2.350 0 40 BEAB in-vitro C1CC[C@H](c2nnc(C3CCC3)o2)NC1 83345153 BNJKGCCCACWOQY-SECBINFHSA-N 207.277 2.152 0 40 BEAB N[C@@H]1CCCc2c1cnn2C1CCCC1 83744461 MXPJYMNEWLWANM-LLVKDONJSA-N 205.305 2.334 0 40 BEAB CO[C@]1(C)C[C@@H](NC(=O)c2cccnc2)C1(C)C 84668202 QSQZVXJSUUJAJQ-BXUZGUMPSA-N 248.326 2.015 0 40 BEAB C[C@H](c1ccccn1)N1CCN2CCCC[C@@H]2C1 94267498 NMLKDZGLZPPQMY-ZIAGYGMSSA-N 245.370 2.313 0 40 BEAB CN(Cc1ncc[nH]1)c1nc2ccccc2o1 95398669 JQHHUZNJTBPUMV-UHFFFAOYSA-N 228.255 2.187 0 40 BEAB CC(=O)N1CCC2(CC1)CNc1ccc(F)cc12 96261815 JPWRMTULFZMRKW-UHFFFAOYSA-N 248.301 2.131 0 40 BEAB C[C@]1(CO)CCC[C@@H]1Nc1cncc(Cl)n1 96427234 RXKUANIAFUEWSF-GZMMTYOYSA-N 241.722 2.093 0 40 BEAB CC[C@@H](C)OCC(=O)Nc1ccc(O)cc1F 97238343 SZVACIXSOKYWCP-MRVPVSSYSA-N 241.262 2.285 0 40 BEAB CON(C)C(=O)c1cnc(Cl)cc1Cl 97758388 JLZLGQDPLISDFH-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB CC(C)(C)c1ccc(NC(=O)N2CCCC2)nn1 98020435 NESLTRSIASZUTA-UHFFFAOYSA-N 248.330 2.402 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1Cc1ccc2c(c1)CCC2 217823251 QGVMFRKGYXFFEP-QWHCGFSZSA-N 216.280 2.439 0 40 BEAB NC[C@@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218700418 JCVNEPFOJPAIAS-WDEREUQCSA-N 213.227 2.144 0 40 BEAB O=C(O)C(F)(F)c1cc2cnccc2o1 218704669 KMQLLEVXBZIHLQ-UHFFFAOYSA-N 213.139 2.004 0 40 BEAB Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1N 218882114 QKAYBOXPNVFHOI-CMPLNLGQSA-N 208.280 2.426 0 40 BEAB Cc1ccnc(NC(=S)NCC(C)(C)C)n1 225215500 MRCNXHHDYWFQKG-UHFFFAOYSA-N 238.360 2.118 0 40 BEAB CCCNC(=O)c1cc2cccc(C)c2oc1=O 226034008 YQSJGXFHXRUPOW-UHFFFAOYSA-N 245.278 2.241 0 40 BEAB CCN1Cc2nccn2C[C@H]1c1ccccc1 257232558 GLJIYZKGUSESLF-ZDUSSCGKSA-N 227.311 2.460 0 40 BEAB CC(C)n1nc(C(F)(F)F)cc1C=O 408717227 XCMNQIORLKLFRU-UHFFFAOYSA-N 206.167 2.295 0 40 BEAB c1nn[nH]c1S[C@@H]1CCOC2(CCCC2)C1 521395159 RVSKDTXUNHYMEC-SECBINFHSA-N 239.344 2.389 0 40 BEAB CCOc1nc2cc(F)ccc2cc1C(=O)O 685937309 NDIAQKLKTZYUGM-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 241267 IYNXMRJUAJBGGM-UHFFFAOYSA-N 238.246 2.069 0 40 BEAB CC(C)(C)NC(=O)c1c(F)cccc1F 298215 DTGFXPAMKBRYLZ-UHFFFAOYSA-N 213.227 2.493 0 40 BEAB CCOC(=O)[C@H](C)OCc1ccccc1 399628 YECFQHZUGDYXTN-JTQLQIEISA-N 208.257 2.155 0 40 BEAB in-vitro C/C=C\Cc1nnc(C)c2c(C)n[nH]c12 5386254 WIXNVIOBCCNZEV-PLNGDYQASA-N 202.261 2.088 0 40 BEAB CCOc1ccc(C(=O)NC(C)C)cc1 5465405 BAKNOHIYRHDNQD-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB CSc1cccc(NC(=O)c2cnn(C)c2)c1 7940663 QLXUQLHAMXPGPU-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB CC(C)(CN[C@H]1C=Cc2ccccc21)C(=O)O 8730698 CZDIPJJBBYVXPS-LBPRGKRZSA-N 231.295 2.455 0 40 BEAB Cc1cccc(-c2nc(C)cc(NN)n2)c1 8731086 FPBBYFXGJIYXOT-UHFFFAOYSA-N 214.272 2.046 0 40 BEAB c1ccc2c(c1)CCCN2CC1CCNCC1 11805340 PLVYIJITWQZIRL-UHFFFAOYSA-N 230.355 2.439 0 40 BEAB in-vitro CC(=O)N1CC[n+]2c(-c3ccccc3)csc21 12341702 GYIDNYQYQYRFTC-UHFFFAOYSA-N 245.327 2.069 0 40 BEAB O=C(O)c1ccc(OCCCCCCO)cc1 15776569 VVYHWYFUTOHXRH-UHFFFAOYSA-N 238.283 2.316 0 40 BEAB O=C(O)[C@@H](C[C@H]1CCCCO1)C(F)(F)F 16159179 NNERFLUWPQXZJM-RNFRBKRXSA-N 226.194 2.209 0 40 BEAB CCCCn1c(S)nnc1[C@@H](CC)N(C)C 20267840 BBXXCLXQSSWSIT-SECBINFHSA-N 242.392 2.380 0 40 BEAB Cc1ccccc1CN1CCC[C@@H]1C(=O)N(C)C 32851155 PEZMFYRQFFKZHX-CQSZACIVSA-N 246.354 2.048 0 40 BEAB CC(C)c1ccccc1NC(=O)[C@H]1CCC(=O)N1 32999934 MWSQDYGFKHWVBM-GFCCVEGCSA-N 246.310 2.027 0 40 BEAB NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 33433387 YYNVKCRAEUWJJY-DUXPYHPUSA-N 216.067 2.492 0 40 BEAB C=CC(=O)NC1C2CC3CC(C2)CC1C3 34420611 XPRPLYWRNZUUHW-UHFFFAOYSA-N 205.301 2.113 0 40 BEAB O=C(NCC(F)(F)F)c1c[nH]c2ccccc12 35134675 KDOBCAHPOHCIBC-UHFFFAOYSA-N 242.200 2.460 0 40 BEAB Clc1ccccc1[C@@H]1CNCCCO1 35598827 YWEZNUVMMVJOAD-NSHDSACASA-N 211.692 2.391 0 40 BEAB CC(C)CC(=O)N1C[C@H](C)OCC1(C)C 36075949 RBTFNODWFDGSIA-JTQLQIEISA-N 213.321 2.058 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N 36379508 LXUOCDHGKNYESJ-VHSXEESVSA-N 228.336 2.171 0 40 BEAB CC[C@H](NC[C@@H]1CCCN1CC)C(C)C 37213833 BCZRSVBWTKKRAV-STQMWFEESA-N 212.381 2.495 0 40 BEAB CCCc1noc(-c2cccc(CN)c2)n1 37716932 XAGOIXDEAQDNCL-UHFFFAOYSA-N 217.272 2.148 0 40 BEAB CCOc1c(F)cc(F)cc1C(=O)O 38529917 JBVYNBCXQPSNCY-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB Clc1ccc([C@H]2CNCCN2)c(Cl)c1 38531987 JXVBZOZKDYDRMX-SNVBAGLBSA-N 231.126 2.227 0 40 BEAB O=C(NC1(c2ccccc2)CC1)c1ccc[nH]1 41570625 YDBAHQJLQOMWSU-UHFFFAOYSA-N 226.279 2.434 0 40 BEAB CCONC(=O)c1cc2cc(C)ccc2o1 49346449 AIAFPWYRPDNOSA-UHFFFAOYSA-N 219.240 2.423 0 40 BEAB CCCC1CCC(N[C@H]2CCCNC2=O)CC1 50394765 LDNUCEVIISZONB-BPCQOVAHSA-N 238.375 2.214 0 40 BEAB CCOC(=O)c1c(C)cc(C)cc1OC 57339678 YTZYBHGSYQYCIG-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB O[C@@H]1CN[C@H](c2ccc(C(F)(F)F)cc2)C1 69971040 FPTFXGDKGHRBMJ-UWVGGRQHSA-N 231.217 2.101 0 40 BEAB in-vitro CONC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 71915876 RWRLPWVOSOCGRT-OLZOCXBDSA-N 248.326 2.258 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cnc(N)c(C)c1 72218475 GRPQKKMQNBDSGS-GFCCVEGCSA-N 233.315 2.046 0 40 BEAB NC(=O)c1sc2ccccc2c1[C@@H]1CCNC1 72344085 WUQWRYHDEDAPDZ-MRVPVSSYSA-N 246.335 2.077 0 40 BEAB CN1CCC(CC(=O)NC2CCCCC2)CC1 74920895 ZEHJULGSFZFIKA-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB Cc1cnc(C(=O)N2CCC[C@H]3CCC[C@H]32)cn1 84258217 SMUXLIXJKADXCD-DGCLKSJQSA-N 245.326 2.190 0 40 BEAB O=Cc1cncn1CCCc1ccccc1 85194282 BCCPHIFWZLDUSD-UHFFFAOYSA-N 214.268 2.328 0 40 BEAB O=C1c2ccsc2CN2CCCC[C@@H]12 89885343 FFGYTSQUYVDFSD-VIFPVBQESA-N 207.298 2.299 0 40 BEAB CCOC(=O)Cc1ccc(Cl)c(C)n1 95763968 YZSVCWZIZAHTRA-UHFFFAOYSA-N 213.664 2.149 0 40 BEAB C[C@]12CC3CC(C(N)=O)(C1)C[C@](C)(C3)C2 100318132 HZWMHZAOCNZQTA-CDOIKYBLSA-N 207.317 2.468 0 40 BEAB O=C1Nc2ccccc2[C@H]1Cc1cccnc1 104378022 LXGQYEKBMIBUQS-GFCCVEGCSA-N 224.263 2.360 0 40 BEAB CN(CCCC(=O)O)CCc1ccc(F)cc1 116369399 SHZQTYOUAICOPM-UHFFFAOYSA-N 239.290 2.165 0 40 BEAB NCC(F)(F)Sc1ccc(F)cc1 131749491 AFHCNXNWVODIMG-UHFFFAOYSA-N 207.220 2.469 0 40 BEAB NC[C@]1(c2ccc3ccccc3c2)C[C@@H]1CO 140277015 RXTUJAQRYPCRNP-CABCVRRESA-N 227.307 2.049 0 40 BEAB Cc1cc(-c2ccccc2)nnc1C(=O)O 143440150 SOQLWJZRQKFERA-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CCOc1ccc(Cc2cc(C)n[nH]c2=O)cc1 199779918 VNTGWKBKOWDOLZ-UHFFFAOYSA-N 244.294 2.068 0 40 BEAB CC(C)N1CCN(c2ncccc2Cl)CC1 200477300 ATVZOLDNLIWNSX-UHFFFAOYSA-N 239.750 2.265 0 40 BEAB FC(F)c1cncc(Br)n1 214941452 QJBJCMGNMUHLPJ-UHFFFAOYSA-N 208.993 2.177 0 40 BEAB COc1cc(Cl)c(C)cc1CC(=N)N 228950413 NWCQAUZFVFXROK-UHFFFAOYSA-N 212.680 2.135 0 40 BEAB CC(=O)N[C@H]1c2ccccc2N(C(C)=O)C1(C)C 876339372 UNCRLOFMGHZXNB-ZDUSSCGKSA-N 246.310 2.009 0 40 BEAB COC(OC)c1cc(C(=O)O)c2ccccc2n1 1681740 YLDMUNHJYMEHPI-UHFFFAOYSA-N 247.250 2.224 0 40 BEAB CCOCC(=O)Nc1ccccc1OCC 2069467 QZVFBSZRQIKYEE-UHFFFAOYSA-N 223.272 2.060 0 40 BEAB N[C@H](CC(=O)O)c1cc(Cl)cc(Cl)c1 2586106 MQEZPQHIAIRXQC-MRVPVSSYSA-N 234.082 2.468 0 40 BEAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO1 2773678 VWFLYEWALAAOCG-JSGCOSHPSA-N 247.338 2.303 0 40 BEAB CNC(=O)COc1cc(Cl)ccc1Cl 3435964 QEJXLLJTYOGDMI-UHFFFAOYSA-N 234.082 2.118 0 40 BEAB Cc1ccccc1N[C@@H]1SC(=O)N(C)C1=O 4450742 QWKVLAOGYIBIKG-SECBINFHSA-N 236.296 2.058 0 40 BEAB CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@@H]12 5016573 WMCIENSNBKBGKV-FKGLVLAHSA-N 247.338 2.230 0 40 BEAB O=C1CCCc2c1cnc1c2C(=O)CCC1 8560243 ZYXBUSSJYQXHEO-UHFFFAOYSA-N 215.252 2.120 0 40 BEAB Cc1cc(N)c(O)c(Br)c1C 9504336 IOTOGSVNGRJHCA-UHFFFAOYSA-N 216.078 2.354 0 40 BEAB Cc1cc(-c2cc(C(=O)O)n[nH]2)ccc1F 11734995 HXHPJEUZPLWKSX-UHFFFAOYSA-N 220.203 2.222 0 40 BEAB NCc1cccc(COCC(F)(F)F)c1 19256560 UTFSGAOQFVAVTC-UHFFFAOYSA-N 219.206 2.224 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1 19409937 RUFPFOPPDAYLJY-GFCCVEGCSA-N 218.300 2.076 0 40 BEAB C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 19437172 LCUJMQMTEDSTLS-TZMCWYRMSA-N 246.354 2.335 0 40 BEAB c1cncc([C@@H]2NCCc3ccccc32)c1 19624621 PQUCZQQPRMLVLB-AWEZNQCLSA-N 210.280 2.317 0 40 BEAB O=C1NCCCC[C@H]1Nc1ccc(Cl)cc1 20051236 PCTANNOZLVBRFR-LLVKDONJSA-N 238.718 2.421 0 40 BEAB C[C@@H]1CCC[C@H](Nc2ncnc3c2cnn3C)C1 25571761 DRMYJUKLZOQQMY-ZJUUUORDSA-N 245.330 2.354 0 40 BEAB O=C1CC(=O)CC(c2cc(Cl)ccc2O)C1 26475460 OOJNWKNDECMBOX-UHFFFAOYSA-N 238.670 2.451 0 40 BEAB CC1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 32797147 GSCPNQSKUFWTAO-NSHDSACASA-N 226.364 2.022 0 40 BEAB CC[C@@H]1CCCCN1C(=O)n1ccnc1 32891602 BONOPNSJDHXUKY-SNVBAGLBSA-N 207.277 2.116 0 40 BEAB OCCCOc1ccc(F)cc1Br 35110024 IJVGSLNOJIQQOQ-UHFFFAOYSA-N 249.079 2.349 0 40 BEAB Cc1ccc(C(=O)Nc2cn[nH]c2)cc1C 35237648 QSDYDTWLLKMOMD-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C)nn1 37527386 WHKNFVUBXVJIEX-UWVGGRQHSA-N 249.314 2.254 0 40 BEAB CCOc1ccc2nccc(C(=O)O)c2c1 39121420 SUCSQKWIHAXNTM-UHFFFAOYSA-N 217.224 2.332 0 40 BEAB CCc1ccc(C(=O)NCc2ccc(C)n2C)o1 40086523 ZHUCZKKCILRNMC-UHFFFAOYSA-N 246.310 2.419 0 40 BEAB CC(C)Oc1ncc(Br)cc1N 40713932 GEMPXSXFUKZNRG-UHFFFAOYSA-N 231.093 2.214 0 40 BEAB COc1cc(Cl)c(C)cc1NCCCO 41571760 IRPRJGLQYCMADM-UHFFFAOYSA-N 229.707 2.451 0 40 BEAB COc1cc(OC)cc(C(=O)c2ccccn2)c1 43210500 FSEWKRKBIVGSHM-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB CC(C)Oc1cccc(CN2CCOCC2)c1 51151155 XFFXYXXEKOPIPT-UHFFFAOYSA-N 235.327 2.306 0 40 BEAB CCc1nnc([C@H]2Cc3ccccc3CN2)o1 57214417 WGWLZUXULQNFCP-LLVKDONJSA-N 229.283 2.019 0 40 BEAB in-vitro CC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccco1 58047273 LRTPOBYXGBZPIY-GFCCVEGCSA-N 243.266 2.305 0 40 BEAB CCn1cc(NC(=O)c2ccoc2C)cn1 58379826 RUYZTKJOEATLKU-UHFFFAOYSA-N 219.244 2.057 0 40 BEAB CC(C)(C)c1ccc2c(c1)C(=O)[C@H](N)CCO2 62665232 NJZFHAXOYVNWQJ-LLVKDONJSA-N 233.311 2.277 0 40 BEAB CC(=O)N1CCC[C@H]1c1cnccc1C 72211391 IZFIGVRZEDWNDZ-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB OCCc1cccc(Br)c1F 75856841 WRSVBQGPSXKJGZ-UHFFFAOYSA-N 219.053 2.123 0 40 BEAB Cc1nc(CN2CCCc3c(F)cccc32)no1 79014182 MSKBUQMZSRHQQN-UHFFFAOYSA-N 247.273 2.470 0 40 BEAB COc1cc(Cl)c(C)cc1C(=O)O 82724843 FYVXNNGMINCUDO-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB Fc1ccccc1CN[C@H]1CCCOCC1 83424462 NDHAOKHNBRDTGP-LBPRGKRZSA-N 223.291 2.484 0 40 BEAB CC[C@@H](C)OC(=O)C[C@@H](CN)CC(C)C 83862706 OZAWAMOSDIREHB-MNOVXSKESA-N 215.337 2.339 0 40 BEAB Cc1ccc(C)c(C(=O)CSCC(=O)O)c1 95634248 YZUVLNGHOAFMHM-UHFFFAOYSA-N 238.308 2.304 0 40 BEAB O=Cc1ccc(COC[C@H]2CCCO2)cc1 95738657 ACCVCQTVNOUEIZ-CYBMUJFWSA-N 220.268 2.195 0 40 BEAB N[C@@H]1CCNc2ccc(Br)cc21 95742362 ATLBJDKNFBCSSX-MRVPVSSYSA-N 227.105 2.265 0 40 BEAB FC(F)(F)Cn1cnc(Br)c1 95883358 ZEEYBMNZHKAPQW-UHFFFAOYSA-N 228.999 2.208 0 40 BEAB in-vitro Clc1ncnc2ccc(Br)n12 95917742 DBUYUFPWQHSHST-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB C[C@H](Cn1cccn1)OC(=O)c1ccsc1 96459857 ZRWGRSRIOLFIAF-SECBINFHSA-N 236.296 2.190 0 40 BEAB COCC[S@@](=O)CCCC1CCCC1 97016400 SMTSXPZQKUEYKO-CQSZACIVSA-N 218.362 2.352 0 40 BEAB Cc1cccc(C2=N[C@@H]3C=NN=C3S2)c1 100012105 DWXZDMGWQGMHSA-SECBINFHSA-N 215.281 2.255 0 40 BEAB c1c2c(nn1C1CCCC1)C[C@@H]1CC[C@@H]2N1 110751090 MNUNPCMEPFJAOI-CABZTGNLSA-N 217.316 2.347 0 40 BEAB O=C1OCc2c(Br)cc(F)cc21 114715107 LPIQPEGMXWECCV-UHFFFAOYSA-N 231.020 2.259 0 40 BEAB CCOC[C@H](C)OC(=O)c1cccc2cn[nH]c12 190767224 GPSLSRJCOOZFDN-VIFPVBQESA-N 248.282 2.145 0 40 BEAB CC1(C)C[C@@]2(C(=O)O)CC[C@]1(C)[C@@H](O)C2 216577369 LEQOOBIITMGKPW-XXILOJSOSA-N 212.289 2.038 0 40 BEAB COCCn1c(C)cc(CNCC(C)C)c1C 223660392 SKRHXWIYPPMSGM-UHFFFAOYSA-N 238.375 2.497 0 40 BEAB CC(=C\C(=O)O)/C=C(\C)C[C@@H](C)C(=O)O 225460352 QEOAMNGZTSERJN-LPGIYJELSA-N 212.245 2.074 0 40 BEAB biogenic,in-vitro C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@H]1O 253428822 BJJOFAZSCNMHQT-LERXQTSPSA-N 237.318 2.260 0 40 BEAB O=C(O)c1cc2ccc(C(F)(F)F)cn2n1 309398504 RQXSDHWIQOETGP-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2O)s1 708665146 MXSHJBALIAEDRG-UWVGGRQHSA-N 239.340 2.042 0 40 BEAB C1=C(CC2=NCCN2)CCc2ccccc21 1780 WETRBJOSGIDJHQ-UHFFFAOYSA-N 212.296 2.408 0 40 BEAB in-man C[C@H](CN)Oc1ccc(Br)cc1 11946301 ZGLQWIALATZXIJ-SSDOTTSWSA-N 230.105 2.175 0 40 BEAB in-vitro CC1(C)[C@H]2CC[C@]1(C)[C@](O)(CC(=O)O)C2 6617314 HBWSRVTVYLQCPC-KPXOXKRLSA-N 212.289 2.038 0 40 BEAB CC(=O)OC[C@H]1CO[C@H](/C=C\c2ccccc2)O1 104338113 DKIWWNQKPRLOOH-XQYKZARXSA-N 248.278 2.004 0 40 BEAB O=C(O)c1ccc(CNC(=O)C2CCCC2)cc1 8907618 RBEXMCWLDOSRCJ-UHFFFAOYSA-N 247.294 2.191 0 40 BEAB Cn1ccnc1[C@H](O)c1ccc(Cl)cc1 22115155 RTEQGPTVSNWJNT-SNVBAGLBSA-N 222.675 2.155 0 40 BEAB NCCc1cnc(-c2cccs2)s1 57496319 SGEKUARAWVNPTP-UHFFFAOYSA-N 210.327 2.373 0 40 BEAB CNc1ccc(C(F)(F)F)cc1C(=O)O 54527155 DHGGWLNECBYZHW-UHFFFAOYSA-N 219.162 2.445 0 40 BEAB Cc1ccsc1C(=O)N[C@H](C)Cn1ccnc1 42511227 CAFKIPOJOMINOL-SNVBAGLBSA-N 249.339 2.072 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](C2CCCCC2)NC1 107470187 NXAYXNDUQHLYJA-MNOVXSKESA-N 211.305 2.020 0 40 BEAB O=C(O)[C@@H]1CCc2sc(C3CC3)nc21 107385707 RTVMQIWNZRQWNJ-ZCFIWIBFSA-N 209.270 2.135 0 40 BEAB Cc1ccnc(NC(=O)c2cccs2)n1 28227614 SLVNVEBATPAMNT-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB O=C(c1ccccc1CN1CCC1)C1CC1 2515642 YMFSRRJXEAMNPX-UHFFFAOYSA-N 215.296 2.485 0 40 BEAB O=C(O)c1cncc(-c2ccc3c(c2)COC3)c1 62334280 AMOTYTOFTFLADB-UHFFFAOYSA-N 241.246 2.477 0 40 BEAB O=C(Cc1cccc(F)c1)NCc1ccco1 12973924 STGXVOIAOWZPDL-UHFFFAOYSA-N 233.242 2.278 0 40 BEAB Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 3723277 KFQHVPAQPKJTHF-UHFFFAOYSA-N 228.177 2.073 0 40 BEAB in-vitro CN(CC(N)=O)C1CCC(c2ccccc2)CC1 49001455 PIVVWRADWGNGJT-UHFFFAOYSA-N 246.354 2.130 0 40 BEAB Fc1cccc(CN2CC(n3cccn3)C2)c1 69738505 QPFHZNVVSIOWOQ-UHFFFAOYSA-N 231.274 2.079 0 40 BEAB C/C=C/c1cc(C(=O)NC)cc(OC)c1OC 8777243 HRHYWTRBDGODFH-AATRIKPKSA-N 235.283 2.097 0 40 BEAB CC(C)c1ccccc1N1C[C@@H](C(=O)O)C[C@@H]1O 64038013 WUHLHTXBWLRYKD-GWCFXTLKSA-N 249.310 2.039 0 40 BEAB CCCCC[C@@H](C)NC(=O)[C@@H]1CCCO1 6042413 HUOJFXFCPQZHQO-MNOVXSKESA-N 213.321 2.250 0 40 BEAB Nc1cc(F)ccc1OC[C@@H]1CCCCO1 14629860 ZOAQUIWZZYQJRO-JTQLQIEISA-N 225.263 2.356 0 40 BEAB OCc1ccc(F)cc1OC(F)(F)F 91251978 QTZPHLXETXULFE-UHFFFAOYSA-N 210.126 2.217 0 40 BEAB CC(C)[C@@H](N[C@H](C)CC(N)=O)c1ccccc1 78739180 OZZATYMCYNVQOP-BXUZGUMPSA-N 234.343 2.237 0 40 BEAB C[C@@H](c1cccnc1)N1CCN2CCCC[C@@H]2C1 93939083 QWPZASBYBRWCFO-DZGCQCFKSA-N 245.370 2.313 0 40 BEAB CC1CCC(O)(CN[C@H](C)[C@H]2CCCO2)CC1 97111581 HQHBSGXGKQVBFK-CEUNDQEZSA-N 241.375 2.085 0 40 BEAB CC[C@@H](NC(=O)/C=C/c1cnccn1)C(C)C 96999308 MASNNQNAYXUYOP-BTDICHCPSA-N 233.315 2.041 0 40 BEAB O=C(C[C@H]1COCCC1=O)c1ccc(F)cc1 85347620 OSKHHMBQTBLEBY-JTQLQIEISA-N 236.242 2.004 0 40 BEAB C[C@H]1SCCN(C(N)=O)[C@@H]1c1ccccc1 95960287 VQTPZQUOSPWKSB-KOLCDFICSA-N 236.340 2.244 0 40 BEAB CCn1nc(Cl)c(Cl)c(Cl)c1=O 34212181 UFQXKYPZRLJRED-UHFFFAOYSA-N 227.478 2.223 0 40 BEAB CCC(=O)N1CCC[C@H](Cc2ccccn2)C1 72361318 YSCPTSREAMZDQW-GFCCVEGCSA-N 232.327 2.273 0 40 BEAB CCO[C@@H](C)c1ccc(CC(=O)OC)cc1 72220185 SUZYQAXUXYRCOT-JTQLQIEISA-N 222.284 2.500 0 40 BEAB CC[C@@H](N)c1ccc(N2CCCC2)nc1 72225437 QPXPXHAQPXIZNT-LLVKDONJSA-N 205.305 2.092 0 40 BEAB CC(C)c1cc(C(C)C)c(CN)c(=O)[nH]1 225816551 PBAVWRXBBLMLOT-UHFFFAOYSA-N 208.305 2.080 0 40 BEAB CCO[C@@H](Cc1c(C)cccc1C)C(=O)O 225032440 GCIMFQJLXRSVAK-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB Cc1ccccc1[C@@H](O)C1(CN)CC(C)C1 85396041 ZQWDYHKYTISTTD-IWXRYERYSA-N 219.328 2.403 0 40 BEAB O=C(O)CN1CCC2(CCc3ccccc32)CC1 96241700 VEBFJSBWIPTGGH-UHFFFAOYSA-N 245.322 2.051 0 40 BEAB CCN(c1ncnc2c1CCC2)C(C)C 334467281 DXEDHIRYVHLXCX-UHFFFAOYSA-N 205.305 2.200 0 40 BEAB NC[C@H]1CCCCN1CCc1cccc(F)c1 96523594 TWHDMAONWCCENB-CQSZACIVSA-N 236.334 2.181 0 40 BEAB CN[C@@H]1CCc2c1cnn2C1CCCC1 95098091 UZOCPRYMBCCRRV-LLVKDONJSA-N 205.305 2.205 0 40 BEAB CSCc1ccccc1NC(=O)CN(C)C 97104317 GZCQWIWDSLEZNO-UHFFFAOYSA-N 238.356 2.050 0 40 BEAB OC[C@H]1CCCC[C@H]1NC1Cc2ccccc2C1 95422906 BIVFJSRXWWVNII-GDBMZVCRSA-N 245.366 2.295 0 40 BEAB N[C@@H](c1ccc2c(n1)CCCC2)C1CC1 242463599 DFLZPJFDHSIODM-CYBMUJFWSA-N 202.301 2.370 0 40 BEAB CS[C@H]1CCC[C@H]1N(C)Cc1nnc(C)o1 76146385 SMEPZXDQTLHTLI-ZJUUUORDSA-N 241.360 2.094 0 40 BEAB OCCCOCCCCc1ccccc1 117768403 FZFJMNPMAUYIAR-UHFFFAOYSA-N 208.301 2.408 0 40 BEAB Cc1csc(N2C[C@H]3CCC[C@@]3(CO)C2)n1 1888844173 UBQZSSGJFOPCAG-PWSUYJOCSA-N 238.356 2.050 0 40 BEAB COc1ccc2c(c1)CC[C@@H]1C=NO[C@@H]21 5551383 YRSNLDZQPNYKPW-BXKDBHETSA-N 203.241 2.315 0 40 BEAB C[C@H]1CCCCN1C[C@H](O)COc1ccccc1 6469044 GEYOICCKNWSVAB-KBPBESRZSA-N 249.354 2.301 0 40 BEAB COc1ccc(OC)c(C(=O)C2CC2)c1 11628497 PZDNXNRGRPAMSH-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB Cc1ccccc1[C@@H](C)NC(=O)C1(C(=O)O)CC1 50292132 MXQUXDCBHANHGP-SNVBAGLBSA-N 247.294 2.037 0 40 BEAB COC(=O)c1cc(-c2cccc(OC)c2)no1 266325 KSZVQXSCGMXAME-UHFFFAOYSA-N 233.223 2.137 0 40 BEAB Cc1nc2c(Cl)c(C)nn2c2c1CCC2 1390378 XITROMIMEXHPLF-UHFFFAOYSA-N 221.691 2.488 0 40 BEAB O=C1C=C(Cl)C(=O)N1c1cccc(Cl)c1 1756538 VAPQHSHEGBPFDF-UHFFFAOYSA-N 242.061 2.336 0 40 BEAB CC[C@@]1(C)CN=C(c2ccccc2)NC1 1760278 APBATRDUWCWKLB-UHFFFAOYSA-N 202.301 2.453 0 40 BEAB O=C1C[C@@H]2CCC[C@@H](c3ccccc3)[C@@]2(O)O1 4023400 ZMWQOEWNVDTTKC-OBJOEFQTSA-N 232.279 2.206 0 40 BEAB biogenic CCN(CC)C[C@@H]1COc2ccccc2O1 4214222 BGWGNDUTMDMIKZ-LLVKDONJSA-N 221.300 2.168 0 40 BEAB COc1ccccc1-c1ncccc1N 4244128 PFVFWXHAXBAYGY-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB in-vitro CC[C@H]1Oc2ccc(Cl)cc2NC1=O 4671642 ISZNNCJTDKUOOM-MRVPVSSYSA-N 211.648 2.450 0 40 BEAB COc1ccccc1Nc1ncnc2[nH]ncc12 5123863 CABNTSMVDVUVED-UHFFFAOYSA-N 241.254 2.105 0 40 BEAB O=C(Cc1ccsc1)NC1CCCC1 12903897 RBXHNSQZAQSTNR-UHFFFAOYSA-N 209.314 2.349 0 40 BEAB Cc1cccc(C2(CN)CCOCC2)c1 13483675 QPEMLQIYXUKIIZ-UHFFFAOYSA-N 205.301 2.002 0 40 BEAB in-vitro C/C=C\C(C(=O)OCC)(C(=O)OCC)C(C)C 16930625 KEIQVIYZHGZVBB-TWGQIWQCSA-N 242.315 2.331 0 40 BEAB Cc1ccsc1C(=O)NCc1cccnc1 20816049 GHBCJZQVUWZMTP-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 22113934 NFRPKIATGQQKHI-RKDXNWHRSA-N 228.288 2.219 0 40 BEAB CCC(=O)N1C(=S)OC[C@H]1Cc1ccccc1 26893070 RMIDPJIHKSUBCO-LLVKDONJSA-N 249.335 2.151 0 40 BEAB CCOc1ccc(C2=NN=C(N)S[C@H]2C)cc1 32502413 TWNCBMIQVZKXID-QMMMGPOBSA-N 249.339 2.239 0 40 BEAB CCCn1nccc1C(=O)N1CCC[C@H](C)C1 32611551 GHAPALJBBHCCKU-NSHDSACASA-N 235.331 2.165 0 40 BEAB CCNC(=N)NC12CC3CC(CC(C3)C1)C2 34816710 VGBFQSVFIIHEDN-UHFFFAOYSA-N 221.348 2.089 0 40 BEAB COc1c(CC(=O)O)cccc1C(F)(F)F 38529848 LMQFQFJTFHHNQH-UHFFFAOYSA-N 234.173 2.341 0 40 BEAB in-vitro CC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 39093916 RMDGQPFDHSRKFU-SECBINFHSA-N 215.293 2.125 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H](CCCO)C1 39151330 DIQOZPGKFVICKN-LLVKDONJSA-N 243.347 2.406 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCC(C)CC1 40520890 SSYVVQCECRWQQJ-GFCCVEGCSA-N 227.348 2.306 0 40 BEAB CO[C@H](CNC(=O)C1CCC1)c1ccccc1 43518561 MEUGKQAPLCMSSI-CYBMUJFWSA-N 233.311 2.290 0 40 BEAB NC(=O)c1c(Cl)cnc(Cl)c1Cl 43827485 YCMMUAJQJPKMRS-UHFFFAOYSA-N 225.462 2.141 0 40 BEAB CN(Cc1ccccc1)C(=O)Nc1cn[nH]c1 48960652 IXOYLDAQESHGDN-UHFFFAOYSA-N 230.271 2.074 0 40 BEAB Clc1cccc(-c2noc(C3CNC3)n2)c1 48981065 NGZDMAPFJIMZQE-UHFFFAOYSA-N 235.674 2.077 0 40 BEAB O=C(Nc1ncccc1O)[C@H]1C[C@@H]1c1ccco1 49398357 FLKUXOREDIJGHN-IUCAKERBSA-N 244.250 2.122 0 40 BEAB C[C@@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 53436403 GCMODWPJZRTJBD-GFCCVEGCSA-N 238.375 2.119 0 40 BEAB NC[C@](O)(Cc1ccccc1)c1ccccc1 55032601 SWLPAKNOXOHUIJ-OAHLLOKOSA-N 227.307 2.076 0 40 BEAB in-vitro Oc1c(Cl)cc(-n2cnnc2)cc1Cl 57327799 QHPRCKNIVFDIOK-UHFFFAOYSA-N 230.054 2.280 0 40 BEAB Cc1cccc([C@@H]2NC(=O)c3cccnc3N2)c1 65606987 FLBKNIMZGJXCIY-LBPRGKRZSA-N 239.278 2.244 0 40 BEAB CN(CCOc1ccccc1F)Cc1ncc[nH]1 69705025 BAGOAJDYOODHEH-UHFFFAOYSA-N 249.289 2.060 0 40 BEAB FC1(F)Oc2ccc([C@H]3CCCN3)cc2O1 72202423 AOESAXVPUKOBRA-MRVPVSSYSA-N 227.210 2.433 0 40 BEAB CCOC(=O)[C@@H]1CCOc2ccccc21 77475968 CMKMUDNVLRUFKH-SNVBAGLBSA-N 206.241 2.116 0 40 BEAB Cc1ccc(CCNc2cc(C)nc(C)n2)cn1 80981756 GHUIGNYBHBCEOV-UHFFFAOYSA-N 242.326 2.451 0 40 BEAB COCCN(Cc1ccccc1)c1ncccn1 95428510 YTCFUKDLNWYPMI-UHFFFAOYSA-N 243.310 2.130 0 40 BEAB CC(C)(C)c1ccc(F)c(C(=O)O)c1N 95917836 ULXXEXILDQHOKA-UHFFFAOYSA-N 211.236 2.404 0 40 BEAB Cc1cccc(C(=O)N2CC3(CCCCO3)C2)c1 96051015 ZZECJILLNUVYJA-UHFFFAOYSA-N 245.322 2.390 0 40 BEAB O=C(O)c1cc2occc2n1C[C@H]1CCCO1 96516212 LJTSIDLMBBOAQT-MRVPVSSYSA-N 235.239 2.112 0 40 BEAB O=C1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100002172 RSUHKGOVXMXCND-CHWSQXEVSA-N 215.296 2.383 0 40 BEAB CC1=NN(c2cc(C)cc(C)c2)C(=O)C1 100214092 GVKDZELNBMLBQS-UHFFFAOYSA-N 202.257 2.416 0 40 BEAB CCC1=NN(c2ccc(OC)cc2)C(=O)C1 100407003 NQCTZUJYZHLKES-UHFFFAOYSA-N 218.256 2.198 0 40 BEAB CCN[C@@H]1CCN([C@H](C)c2ccccc2)C1 101192377 KYHJIZBPFBUCSV-TZMCWYRMSA-N 218.344 2.431 0 40 BEAB in-vitro FC(F)(F)C1=NO[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 103611688 KAAUCJZOUPNSRN-VWDOSNQTSA-N 205.179 2.350 0 40 BEAB COc1ccc(C(=O)O)c2c1CCCC2 108378079 UJQHGNOJZRJDNH-UHFFFAOYSA-N 206.241 2.272 0 40 BEAB OC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 127950592 RONHVXPHTYRUPR-ZDUSSCGKSA-N 241.281 2.312 0 40 BEAB COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccco1 191678606 KCWRIZBNBAIIQF-WXHSDQCUSA-N 249.310 2.053 0 40 BEAB COC(=O)[C@@H]1C[C@@H]1C(=O)c1ccc2c(c1)CCC2 217818419 DTDYBZPONKCLMU-QWHCGFSZSA-N 244.290 2.167 0 40 BEAB CC(C)COc1c(Br)cnn1C 256053877 TZPFIAMKUDJDRH-UHFFFAOYSA-N 233.109 2.217 0 40 BEAB CCOC(=O)C(=O)c1ccc(C)cc1Cl 258326479 CLYRPZGMJVIZMZ-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB Cc1nccc(CN2CCC[C@@H]2C(F)F)n1 334466457 DIKJKALXBJYYPS-SNVBAGLBSA-N 227.258 2.015 0 40 BEAB O=C(/C=C/c1ccco1)N1Cc2cccnc2C1 585392670 LKFOEWHEQFVRHQ-AATRIKPKSA-N 240.262 2.230 0 40 BEAB c1cc(-c2ccc(C3CNC3)cc2)ccn1 1857794084 JLMDMJKFMVRMNB-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB C=CC(=O)NC(C)(C)Cc1ccccc1 343684 XXSXIHMRESDNPW-UHFFFAOYSA-N 203.285 2.310 0 40 BEAB CCOC(=O)COc1ccccc1-c1ccno1 482018 KQKQDESNIIVFAK-UHFFFAOYSA-N 247.250 2.284 0 40 BEAB N[C@]1(C(=O)O)CCCC[C@@H]1c1ccccc1 1702669 QAKNRGSEJPUFDI-DGCLKSJQSA-N 219.284 2.126 0 40 BEAB CCOC(=O)c1cccc(C(=O)C2CC2)c1 2514270 XYUIDONJVHHDRG-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB CC(=O)N1CCC(Nc2ccc(C)cc2)CC1 4912050 BYSSHJACTSXIPT-UHFFFAOYSA-N 232.327 2.418 0 40 BEAB CC1(C)CNC(=S)N1Cc1ccccc1 5741501 GARBXBJLDRQLMO-UHFFFAOYSA-N 220.341 2.155 0 40 BEAB CCSC1=NCCN1C(=O)c1ccccc1 6791023 GNXLIPBLBILNNI-UHFFFAOYSA-N 234.324 2.252 0 40 BEAB CC(=O)c1cnc(N2CCC[C@@H](C)C2)nc1C 8731919 FOABNFIARBZDPR-SECBINFHSA-N 233.315 2.224 0 40 BEAB CCCNC(=O)c1cc(-c2ccccc2)n[nH]1 12535729 QARALMWZYZEMOS-UHFFFAOYSA-N 229.283 2.217 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)c1ccncc1 12913964 MHOFJBIBOVGCAB-CMPLNLGQSA-N 218.300 2.390 0 40 BEAB COCCCNC(=O)c1cccc2cccnc12 14183406 NZAMCUIGWRFEJQ-UHFFFAOYSA-N 244.294 2.001 0 40 BEAB Cc1ccc2nc([C@@H]3CCCNC3)[nH]c2c1 14807789 AGJOSQVIIMRBCK-SNVBAGLBSA-N 215.300 2.338 0 40 BEAB in-vitro CN(C)c1ncc2c(n1)CCC[C@H]2NC1CCC1 15061878 BVMBMEIAJPYCJN-GFCCVEGCSA-N 246.358 2.062 0 40 BEAB CCN(CC)CCNCc1cccc(OC)c1 19919146 NUDIHLZKQUGACI-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB CN(C)Cc1noc(N)c1-c1cccc(F)c1 26512539 VPXHCBRITGNLEM-UHFFFAOYSA-N 235.262 2.125 0 40 BEAB CN(C)C(=O)[C@@H]1CCCc2ccccc21 32759897 YOWLFTMCSSZGOE-GFCCVEGCSA-N 203.285 2.195 0 40 BEAB N[C@H](CO)c1ccc(-c2ccccc2)cc1 36949516 DRGRSSFCCDTWRF-CQSZACIVSA-N 213.280 2.346 0 40 BEAB COc1ccc([C@@H](O)c2ccoc2)c(OC)c1 40248124 IQBGXSJRLZUHHG-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB O=C(Nc1cnc2ccccc2c1)[C@H]1CCCO1 40488659 ZMAAXGCCLARCDR-CYBMUJFWSA-N 242.278 2.352 0 40 BEAB CC(C)NC(=O)C(=O)Nc1ccccc1C(C)C 42646345 YQGKHABLBSZFNI-UHFFFAOYSA-N 248.326 2.273 0 40 BEAB CC[C@@H]1CCCCN1c1cc(C)nc2ncnn12 48290989 RLVLAZJKBUWOAD-LLVKDONJSA-N 245.330 2.202 0 40 BEAB COc1cc2[nH]c(C(=O)O)cc2cc1F 60082709 YRFANAUFECXLOZ-UHFFFAOYSA-N 209.176 2.014 0 40 BEAB CCOC(=O)[C@H](C)Nc1cc(F)c(F)c(F)c1 61096645 GOENYNHPRWNTSY-LURJTMIESA-N 247.216 2.467 0 40 BEAB Clc1ccc2c(c1)[C@H]1CNCC[C@@H]1N2 71484540 CTRPRBJZXMYEJI-KOLCDFICSA-N 208.692 2.211 0 40 BEAB in-vitro c1ccc([C@H]2CCCN(c3cnccn3)C2)nc1 72357093 JVZWBGRLHKZKDD-LBPRGKRZSA-N 240.310 2.256 0 40 BEAB CCc1[nH]c2c(OC)cccc2c(=O)c1C 82449723 NFNYXCMGTBJVQD-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB Cc1nsc(N2CCC[C@H](C)CC2)n1 89721353 SKHCOBTWCXTMMX-QMMMGPOBSA-N 211.334 2.473 0 40 BEAB Cc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)o1 95117735 YHSIPSHDHQIXJZ-QMMMGPOBSA-N 216.240 2.224 0 40 BEAB CCC(=O)c1ccc(Br)cn1 95761466 RUUTUNOCCNRQGP-UHFFFAOYSA-N 214.062 2.437 0 40 BEAB CNCCSC(F)(F)C(F)(F)F 95918296 HDFULCBGTAEWAV-UHFFFAOYSA-N 209.183 2.094 0 40 BEAB CCSc1cncc(N2CCCC2)n1 95957175 DWEWELQAYAIJEL-UHFFFAOYSA-N 209.318 2.189 0 40 BEAB Cc1cc(NCc2nc3ccccc3n2C)no1 95990333 UCSWBOSWNAHEQL-UHFFFAOYSA-N 242.282 2.482 0 40 BEAB COc1cc(Br)c(C(=O)O)cc1F 98179668 GZCCDIYCLMPSIE-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB O[C@H]1[C@@H]2CCC[C@@H]1C[C@H]1CCCC[C@@]21O 102666231 LGLZRUQGFUJOOH-LBELIVKGSA-N 210.317 2.089 0 40 BEAB COC(=O)C[C@]12CC[C@@](C)([C@@H](O)C1)C2(C)C 103708305 QSMUFBCONLGVEU-XDTLVQLUSA-N 226.316 2.127 0 40 BEAB CCOc1ccc(Br)c(CO)c1 124143261 KUHSPLBUTKPCIC-UHFFFAOYSA-N 231.089 2.340 0 40 BEAB CCC(=O)N(C)[C@@H](COC)Cc1ccccc1 189490890 MAJXOLPRACPPDN-CYBMUJFWSA-N 235.327 2.113 0 40 BEAB COC(C)(C)c1nc(-c2ccncc2)no1 195578655 SPLYQSSRJCZIEI-UHFFFAOYSA-N 219.244 2.013 0 40 BEAB COc1ccc(C(F)(F)F)c(CO)c1 228980806 VVJIIUGHUCRYBQ-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB C[C@@H](SCC(C)(C)C)c1nnnn1C 252501478 UFQBRKUOTOAEKK-SSDOTTSWSA-N 214.338 2.050 0 40 BEAB CN1C(=O)S/C(=C\c2cccc(O)c2)C1=O 408815062 UCNPNZFVSBGHRB-TWGQIWQCSA-N 235.264 2.058 0 40 BEAB Fc1ccc(COc2ncccn2)cc1 585652403 ZJDSBYSUCYXXHH-UHFFFAOYSA-N 204.204 2.195 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CCCN2 953095576 HIGGOCDLORTFFA-ZWNOBZJWSA-N 240.347 2.186 0 40 BEAB Nc1ccc(N)c(-c2nc3ccccc3[nH]2)c1 310673 ZZERDZWULRRERL-UHFFFAOYSA-N 224.267 2.394 0 40 BEAB CCCNS(=O)(=O)c1ccc(C)cc1Cl 37022688 XYTINAXAERSBFW-UHFFFAOYSA-N 247.747 2.337 0 40 BEAB Cc1cnc(C(=O)Nc2ccc(F)c(F)c2)cn1 1351654 VHDWOGYOEMMUHA-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB COc1ccc(-c2csc(CN)n2)cc1 3709632 FXYCGCXTHCHQNI-UHFFFAOYSA-N 220.297 2.277 0 40 BEAB S=C1S[C@H]2CCC[C@@H]2N1C[C@@H]1CCCO1 6185704 WPFBZHYIGYZWGW-GUBZILKMSA-N 243.397 2.420 0 40 BEAB C[C@H](CC(N)=S)n1ccc(C(F)(F)F)n1 12394416 OYTOGZZACQKRKK-RXMQYKEDSA-N 237.250 2.139 0 40 BEAB O=C1CC(C(F)(F)F)=NN1c1cccc(F)c1 100407079 PELCFGINWAIWOF-UHFFFAOYSA-N 246.163 2.481 0 40 BEAB CCC[n+]1c(N)sc2ccc(OC)cc21 61968232 COSLTQRIZYLXPO-UHFFFAOYSA-O 223.321 2.190 0 40 BEAB Cn1cc(Cl)cc1C(=O)Nc1ccncc1 22260588 XZVNZTNHPMSXNM-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB CC(C)(C)c1n[nH]c(C(=O)O)c1Br 38478091 JVMWDDZTVXATAJ-UHFFFAOYSA-N 247.092 2.168 0 40 BEAB CC(=O)NCC1(c2ccccc2C)CCOCC1 48927568 QGOUUJIJWBFHQV-UHFFFAOYSA-N 247.338 2.179 0 40 BEAB N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 49648389 OQBONGSOEASGRL-QMMMGPOBSA-N 245.109 2.057 0 40 BEAB in-vitro CO/C=C(\Oc1ccccc1C)C(=O)OC 4648737 DDILYMIVQHECQR-FLIBITNWSA-N 222.240 2.035 0 40 BEAB COC[C@@H](C)NC(=S)NC1CCCCCC1 16238192 BDUUWFXELOMFQS-SNVBAGLBSA-N 244.404 2.208 0 40 BEAB Cc1ccc(NC(=O)Cn2ccc(Cl)n2)cc1 97141293 VHGOBOADCKKUOU-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB CC(=O)Nc1nn(CC(F)(F)F)cc1Cl 72336338 IYRZZJDIRUBCPB-UHFFFAOYSA-N 241.600 2.057 0 40 BEAB COCCOc1ncccc1NC1CCC1 97236309 HNSKICKOSXABES-UHFFFAOYSA-N 222.288 2.071 0 40 BEAB CCOC(=O)c1ccc(N(CC)C(C)C)nc1 95951853 YAYUKJWKPZHLHU-UHFFFAOYSA-N 236.315 2.493 0 40 BEAB O=C(OCC[C@@H]1CCCO1)c1ccoc1 75094497 KWFPKRZRTFJJAJ-JTQLQIEISA-N 210.229 2.006 0 40 BEAB COc1ccc([C@@H](O)C(=O)C2CCCC2)cc1 3845086 JLFWCBNXGSAPCO-CQSZACIVSA-N 234.295 2.488 0 40 BEAB biogenic O=CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 3843462 QBRCLMGOKXKHER-GJZGRUSLSA-N 241.290 2.207 0 40 BEAB biogenic CNC(=O)c1ccc(NC2CCCCC2)c(N)c1 212138045 STFQPAMPTUCQEQ-UHFFFAOYSA-N 247.342 2.373 0 40 BEAB CC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)[nH]n1 72381466 ZURYBJFEGATKDM-QMMMGPOBSA-N 247.220 2.112 0 40 BEAB Oc1nc([C@H]2CCCNC2)cc2ccccc12 72365939 KUQYFVHUXBUYER-NSHDSACASA-N 228.295 2.407 0 40 BEAB C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2N)C1 216767779 UGCJLVZPBOHKRY-NXEZZACHSA-N 219.332 2.333 0 40 BEAB CCCNC(=O)N[C@H](C)c1ccc(OC)cc1 132203223 NQKWLBZHHURGJC-SNVBAGLBSA-N 236.315 2.465 0 40 BEAB O=C(CC[C@H]1CCCO1)N1CCCCCC1 40073301 WXUQTYBQRBNJEN-GFCCVEGCSA-N 225.332 2.348 0 40 BEAB COCCN(C(=O)CC1CC1)[C@@H]1CC[C@@H](C)C1 195580185 GFCAHIYJZZLGMT-DGCLKSJQSA-N 239.359 2.450 0 40 BEAB COCc1ccc(C(=O)N2C[C@H]3CCC[C@H]3C2)o1 89420345 VMXYLSCXWOIYOE-PHIMTYICSA-N 249.310 2.298 0 40 BEAB OCc1cn(-c2cccc(Cl)c2)cn1 143726625 CCOMFUIKIQUCQB-UHFFFAOYSA-N 208.648 2.018 0 40 BEAB Cc1ccc(Sc2nccn(C)c2=O)cc1 95403031 RRPNVPQZGUCSDG-UHFFFAOYSA-N 232.308 2.240 0 40 BEAB O=C(N[C@@H]1CCOc2ccccc21)C1=CCC1 95456774 NUFGVCZILROQNC-GFCCVEGCSA-N 229.279 2.347 0 40 BEAB CCCN1CC[C@]2(C)[C@H]1CCCCC(=O)N2C 257224778 FDHQYJBJTRERED-TZMCWYRMSA-N 238.375 2.262 0 40 BEAB COc1cc(C)c(-c2cn(C)nn2)cc1C 649439161 KINLJDMGRHKVTN-UHFFFAOYSA-N 217.272 2.108 0 40 BEAB Cn1nnc2c(Cl)cc(Cl)cc21 725343328 GFGRJFZZMKKGSF-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CN(C)c1nc2ccc(F)cc2cc1C=O 685937373 OCTRUNPBNVMTMF-UHFFFAOYSA-N 218.231 2.252 0 40 BEAB CS[C@@H](C)C(=O)NCc1ccc(C)s1 48331624 MUTJMXMZXXLPRX-QMMMGPOBSA-N 229.370 2.424 0 40 BEAB Cc1cc(F)cnc1I 85221580 BQPINTLXFPDANA-UHFFFAOYSA-N 237.015 2.134 0 40 BEAB CCN(CC)[C@@H](Cc1ccc(F)cc1)C(=O)O 107843727 GXRWSQFOUZDWNZ-LBPRGKRZSA-N 239.290 2.163 0 40 BEAB CCN1CCC[C@@H]1CN[C@H](C)CC(C)C 101574150 PQJZOMSAPMTJFK-CHWSQXEVSA-N 212.381 2.495 0 40 BEAB Brc1cnccc1OC[C@@H]1CCO1 1889061977 ADCNXEQOCTWGSY-ZETCQYMHSA-N 244.088 2.012 0 40 BEAB CC[C@]1(C)c2c(oc(C)c(C)c2=O)CC[C@H]1O 1772591487 CFHHZMLUIMVNSY-RISCZKNCSA-N 236.311 2.231 0 40 BEAB CCOCc1nc2nc(Cl)c(Cl)nc2[nH]1 5838356 IGNMRSXINLJXQQ-UHFFFAOYSA-N 247.085 2.196 0 40 BEAB CC(=O)N(c1ccccn1)c1ccccn1 13281602 STONUJDBYXVEBD-UHFFFAOYSA-N 213.240 2.161 0 40 BEAB Nc1ccc(-c2nc(-c3cccnc3)no2)cc1 19772023 YCUKBNFCEIQSQK-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB O=C(c1cc2ccccc2[nH]1)N1CCSCC1 36163408 FYYDPZKKUMROCF-UHFFFAOYSA-N 246.335 2.357 0 40 BEAB C[C@H]1C(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 575447715 MNYIQAQSZOMQSX-ZANVPECISA-N 239.315 2.223 0 40 BEAB CCOC(=O)CNc1ccc(C)c(C)c1 52042 MLVKVEGHYWZIRP-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB Cc1nn(-c2ccc(N)cn2)c(C)c1Cl 20353400 WDHOAZHAYPVEQR-UHFFFAOYSA-N 222.679 2.120 0 40 BEAB Cc1ccc(C)c(NC(=O)N(CCO)C2CC2)c1 40525196 XTROWOWQMUUNIY-UHFFFAOYSA-N 248.326 2.292 0 40 BEAB Cc1cc2nccc(-c3ccccn3)n2n1 1037169 VYZSVWPQKNQYLV-UHFFFAOYSA-N 210.240 2.100 0 40 BEAB O[C@H](c1ccc(Cl)cc1)C1CCNCC1 1568064 UQGIFKXJSLUMSO-GFCCVEGCSA-N 225.719 2.373 0 40 BEAB in-vitro N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)O 1695850 DBMVJVZQGTXWTP-AWEZNQCLSA-N 241.290 2.308 0 40 BEAB CN(c1ccccc1)c1ncnc2nc[nH]c12 1718447 OYJNWQXDNHJGEB-UHFFFAOYSA-N 225.255 2.121 0 40 BEAB CCO[C@]1(C)C(=O)C(C)(C)[C@]1(C)Cl 1722293 JONJCNNNZLUUAY-ZJUUUORDSA-N 204.697 2.388 0 40 BEAB CCN(CC)C(=O)c1cc(Cl)ccn1 3412822 RXQILWMQVLDJJG-UHFFFAOYSA-N 212.680 2.217 0 40 BEAB in-vitro CC(C)[C@H]1CC[C@@H](C)[C@@H](COC=O)C1=O 3845733 DPTQSWAQNRRPEA-GMTAPVOTSA-N 212.289 2.047 0 40 BEAB COc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 4018940 SGUPGDYEMNTBMJ-LSDHHAIUSA-N 243.306 2.429 0 40 BEAB CC(C)(C)[C@@]1(O)COc2ccccc2O1 4566058 VPANZLLRKNSFHJ-GFCCVEGCSA-N 208.257 2.193 0 40 BEAB CN1O[C@H]2CCCC(=O)[C@@H]2[C@H]1c1ccccc1 5352972 FFOMFRWPMNYVMA-MELADBBJSA-N 231.295 2.343 0 40 BEAB CCOC(=O)[C@@H](C)N(C)c1ccccc1 5499696 CZAVXCLGNKBHFF-SNVBAGLBSA-N 207.273 2.074 0 40 BEAB SC1=Nc2ccccc2[C@@H]2CC=NN12 5660799 KHNGLFNKVNNTKI-VIFPVBQESA-N 203.270 2.350 0 40 BEAB in-vitro CC[C@@H](C)NS(=O)(=O)c1c(F)cccc1F 7307853 UXYQQNILNAIHIC-SSDOTTSWSA-N 249.282 2.042 0 40 BEAB Cc1n[nH]c2c1C(=O)C[C@H](c1ccccc1O)C2 8021508 DQRSTOQAGYEZJT-SECBINFHSA-N 242.278 2.336 0 40 BEAB CC(C)NC(=O)c1cnn(-c2ccccc2)c1 13020072 FCOREHMLCBMFHB-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB CCOCCCNC(=O)C1CCCCC1 13716931 XLNBEIUQKFRWRF-UHFFFAOYSA-N 213.321 2.110 0 40 BEAB CC[C@H](SCc1ccco1)C(=O)O 15417846 BGJJRGMDHSZTRI-QMMMGPOBSA-N 200.259 2.376 0 40 BEAB Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 19396204 DEZQCQPZSAQLOG-UHFFFAOYSA-N 234.686 2.132 0 40 BEAB COc1ccc(Cl)c2[nH]ccc(=O)c12 27869216 NVAUPUJRLGTTQI-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O 29570997 XXPHIHDDXCFWMS-AWEZNQCLSA-N 241.290 2.308 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](C)n2ccnc2)C1 32719839 SMVYFMQBXXEXOV-JHJVBQTASA-N 249.358 2.339 0 40 BEAB CCN(C(=O)[C@@H]1CCCO1)c1ccc(F)cc1 32738378 CKCYNGDOCRTEIC-LBPRGKRZSA-N 237.274 2.358 0 40 BEAB CNCc1cc(-c2ccc(OC)cc2)on1 35655533 PTKVMTKOSPDJEV-UHFFFAOYSA-N 218.256 2.070 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@H](C)N)c(OC)c1 36056705 RRLUYITYNNJRHP-XXILOJSOSA-N 221.300 2.155 0 40 BEAB O=C(c1ccccc1F)N1CCSCC1 37506168 WPFVQRLZXDRTDO-UHFFFAOYSA-N 225.288 2.015 0 40 BEAB CCC[C@H](C)C(=O)NCc1ccnc(N(C)C)c1 40087650 KGSYEIQALLPANR-NSHDSACASA-N 249.358 2.200 0 40 BEAB COCC(=O)Nc1cccc(C(C)C)c1 40459854 UJSHHPLQKFFIMZ-UHFFFAOYSA-N 207.273 2.395 0 40 BEAB CC(C)OCCCNC(=O)C1CCCC1 42236291 YTGLEMGFHNCXJG-UHFFFAOYSA-N 213.321 2.108 0 40 BEAB Fc1cccc(F)c1COCC1CCNCC1 42782985 IGNSMBSKTQBDMU-UHFFFAOYSA-N 241.281 2.481 0 40 BEAB C[C@@H](CC(=O)O)CC(=O)c1cccc(N(C)C)c1 43214230 YEQOPPGGLLRRNR-SNVBAGLBSA-N 249.310 2.436 0 40 BEAB O=C(O)c1cnc2c(Br)c[nH]c2c1 44712941 RCBLXFNIIXVNOD-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB Cc1nnc(SCC(=O)c2ccccc2)o1 48402939 HPWLEZDJCPZKTE-UHFFFAOYSA-N 234.280 2.353 0 40 BEAB CNC[C@@H](OC(C)C)c1cccc(OC)c1 50483675 ZNPWOLXFTHGPMO-CYBMUJFWSA-N 223.316 2.381 0 40 BEAB N=C(NCc1ccco1)Nc1ccccc1 52046641 BCXGUMXNDXOWNW-UHFFFAOYSA-N 215.256 2.416 0 40 BEAB O=C1CCC[C@@H]2Cc3ccccc3C(=O)[C@H]12 68568670 WZYCLCDDHBOWSL-MFKMUULPSA-N 214.264 2.411 0 40 BEAB CCCN(CC1CC1)c1ncnc2[nH]c(C)nc12 72240936 FPKSKBFISPNJBN-UHFFFAOYSA-N 245.330 2.288 0 40 BEAB CC(C)(C)[C@@H]1CCc2nc(N)ncc2C1 75606785 NRRCYDPROOLRBJ-SECBINFHSA-N 205.305 2.210 0 40 BEAB in-vitro CC(C)=CC(=O)NC[C@](C)(O)c1ccsc1 80892083 MOFQEVQZLJVOIB-LBPRGKRZSA-N 239.340 2.038 0 40 BEAB CN1CCC([C@@H](CN)c2ccccc2)CC1 82729050 JBLOUKQOILWNCH-AWEZNQCLSA-N 218.344 2.071 0 40 BEAB COC(=O)c1ccc2c(c1)OC(C)(C)CN2 84781832 CQVYLHAJQFXTSK-UHFFFAOYSA-N 221.256 2.056 0 40 BEAB CCCn1cc(NCC2CCOCC2)cn1 90190821 JVORIPPZLNHNJN-UHFFFAOYSA-N 223.320 2.132 0 40 BEAB CNC(=O)C(C)(C)CNC[C@@H]1CCC[C@@H](C)C1 92567676 HEMOVWJQYKYWPX-VXGBXAGGSA-N 240.391 2.175 0 40 BEAB Fc1cccc(F)c1OCCC1OCCO1 95733805 JOOSKWYBNWXBMR-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB CCC(=O)Nc1c(C)nc(N2CCCC2)nc1C 96098541 NRLFHLLLJTWQOH-UHFFFAOYSA-N 248.330 2.042 0 40 BEAB CCOCCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 96423517 PVMMYHAUPJJPDX-CHWSQXEVSA-N 239.359 2.498 0 40 BEAB CSC[C@H](C)OC(=O)c1cc(C(C)C)[nH]n1 96452579 VMHXGRSNFSWUHT-QMMMGPOBSA-N 242.344 2.441 0 40 BEAB COC(=O)c1cc(OC2CCCCC2)no1 96529589 LAGVSFKRKXZBHO-UHFFFAOYSA-N 225.244 2.173 0 40 BEAB Cc1ccc2[nH]nc(C(=O)N3CCCC3)c2c1 97254696 CRMDYLMYDDBALC-UHFFFAOYSA-N 229.283 2.107 0 40 BEAB CCCCOC(=O)C1=C[C@H](O)Nc2ccccc21 98181618 WRTRXDOLGDGZDZ-ZDUSSCGKSA-N 247.294 2.157 0 40 BEAB CCOc1ccc(-n2cccc2CO)cc1 223736943 MDBGPGOURNUBFL-UHFFFAOYSA-N 217.268 2.368 0 40 BEAB COC(=O)C[C@]1(C)[C@@H]2CC[C@@]1(C)COC2 225804911 SXEFOLROKMKNMC-ADEWGFFLSA-N 212.289 2.002 0 40 BEAB COc1cccc(CNc2c(C)cnn2C)c1 256050727 GGIOSLZDMXEEDX-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB C[C@H](N[C@H](C)C1CC1)c1nnc2ccccn12 36969079 HKLDDVPYJQNPNY-ZJUUUORDSA-N 230.315 2.178 0 40 BEAB CCN(CC)C1CCC2(CC1)OCCO2 84192969 CAKSVKMWEYXFTQ-UHFFFAOYSA-N 213.321 2.014 0 40 BEAB CCCC(=O)Nc1cc(C)c(NC(C)=O)cn1 1358309 AKCDHAVCCZVXJQ-UHFFFAOYSA-N 235.287 2.087 0 40 BEAB COc1cccc(C)c1[C@H](O)C[C@H]1CCCN1 1569337 MNGMPKYYSAWCQH-VXGBXAGGSA-N 235.327 2.179 0 40 BEAB O[C@H](c1cccc2ncccc12)[C@@H]1CCCCN1 1873725 GLUILMXLFMYLMU-LSDHHAIUSA-N 242.322 2.410 0 40 BEAB CCC(=O)c1cc(C(=O)CC)c(O)cc1O 481586 RHZHQHOXQLPEKM-UHFFFAOYSA-N 222.240 2.283 0 40 BEAB COc1cc(CNC(C)C)cc(OC)c1OC 10436122 BSFJYVAIIKJKCJ-UHFFFAOYSA-N 239.315 2.210 0 40 BEAB CC(C)(C)C(=O)CNC(=O)/C=C/c1ccco1 97022550 NSHQKZGDIYQAAU-VOTSOKGWSA-N 235.283 2.024 0 40 BEAB CC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O 34279410 ZWEXEKJLDHNLLA-UHFFFAOYSA-N 241.331 2.350 0 40 BEAB investigational COc1cccc([C@H](C)NCc2cnn(C)c2)c1 37771563 FHVAZQWSKUFYTQ-NSHDSACASA-N 245.326 2.280 0 40 BEAB O=C(c1c[nH]c2ccccc12)[C@@H]1CCCNC1 26513244 WKHIODTZARGTCN-SNVBAGLBSA-N 228.295 2.350 0 40 BEAB C[C@H]1SCC(=O)n2c1nc1ccccc12 57531740 JPIVUYQDHNYACG-SSDOTTSWSA-N 218.281 2.484 0 40 BEAB CN(CCOc1ccccc1)C[C@H]1CCCO1 57993726 POMCSCBFLFPALE-CQSZACIVSA-N 235.327 2.176 0 40 BEAB COC(=O)c1c(O)ccc2c1CCCC2 35904727 FGZPUQMMDVJQQN-UHFFFAOYSA-N 206.241 2.058 0 40 BEAB in-vitro Cc1ccccc1[C@H](C)N[C@H](C)C(=O)O 49354081 RGMGHSPKOOBDDI-VHSXEESVSA-N 207.273 2.119 0 40 BEAB COc1ccc(C(=O)CCCC(=O)O)c(C)c1 39240377 RBKGOJLPYWANPN-UHFFFAOYSA-N 236.267 2.441 0 40 BEAB CCN(CC)CCOc1ccc(F)cc1N 14629826 KEBQDLZWZTXBHH-UHFFFAOYSA-N 226.295 2.129 0 40 BEAB c1nc(N[C@@H]2CCCOC2)c2ccsc2n1 71014517 IUTOYZAVXKNTOO-MRVPVSSYSA-N 235.312 2.282 0 40 BEAB CN(C)[C@@H](CN)c1ccccc1OC(F)(F)F 22166793 MRAGMSWPIKGTOJ-VIFPVBQESA-N 248.248 2.147 0 40 BEAB CC(C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 22509818 PMNISCRINKEZCN-UHFFFAOYSA-N 248.326 2.373 0 40 BEAB O[C@H]1CN[C@H](c2ccccc2C(F)(F)F)C1 69970985 MHSWZBHVZZQQLL-XCBNKYQSSA-N 231.217 2.101 0 40 BEAB CCn1c(=O)c(/C=C/C(=O)O)cc2ccccc21 36625058 YZUQHJHJHTYBCO-BQYQJAHWSA-N 243.262 2.119 0 40 BEAB Cc1c(Cl)ccc2c(NN)ccnc12 32099614 PGKYDYFTIDVDTE-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB O=C(COc1ccccc1)c1ccc(O)cc1O 41293 TZMXCFNRWDJQJM-UHFFFAOYSA-N 244.246 2.360 0 40 BEAB biogenic C[C@H](NC1CCNCC1)c1ccc(F)cc1 38040625 KLIHGWHMEAEHKN-JTQLQIEISA-N 222.307 2.228 0 40 BEAB COc1ccc([C@H](O)C(=O)C2CCCC2)cc1 3845085 JLFWCBNXGSAPCO-AWEZNQCLSA-N 234.295 2.488 0 40 BEAB biogenic Cc1nc(O)cc(C2CCN(C(C)C)CC2)n1 72356936 VAZDZCZQUHNXNQ-UHFFFAOYSA-N 235.331 2.078 0 40 BEAB COc1ncc([C@@H]2CCCN2C)cc1C 72217706 NPDBNJLQYSNVAY-NSHDSACASA-N 206.289 2.165 0 40 BEAB Cc1ccc(Cl)c([C@@H](C)NN)c1F 199537771 ZJQUBCLRFYQZLO-ZCFIWIBFSA-N 202.660 2.312 0 40 BEAB Fc1ccccc1OCCC1OCCCO1 84192566 DKIUBUMSJDLISX-UHFFFAOYSA-N 226.247 2.358 0 40 BEAB Cc1cc(C)cc(C(=O)N2CCSCC2)c1 40542050 WXCJRLFPCIUWME-UHFFFAOYSA-N 235.352 2.492 0 40 BEAB CCOC(=O)Cc1cnc2ccccc2c1 44197479 LETQUFNRBJEUBG-UHFFFAOYSA-N 215.252 2.340 0 40 BEAB CO[C@@H]1CN(C(=O)CSC(C)C)CC[C@@H]1C 527135256 WJJQDDRBGGMCLH-WDEREUQCSA-N 245.388 2.011 0 40 BEAB CC(C)Oc1cccc(NC(N)=S)c1 85389789 DMEWNAZNNILVBS-UHFFFAOYSA-N 210.302 2.129 0 40 BEAB Cc1ccc(CNC(=O)c2ccncc2)s1 48599778 OJJDDODGMPKYTR-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CCS(=O)(=O)Cc1ccc2ccccc2c1N 96532806 AAKMBMFTDRNMLT-UHFFFAOYSA-N 249.335 2.357 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1cccc(F)c1 96529854 RNQHMAAQVMREMW-JOYOIKCWSA-N 209.264 2.265 0 40 BEAB COC(=O)c1cccc(C(=O)NCC2CCC2)c1 48702662 HBPSVZNASYYJFA-UHFFFAOYSA-N 247.294 2.003 0 40 BEAB CCCNC(=O)Nc1ccc(OC)c(F)c1 48451241 GKGWUPGWEPQYSJ-UHFFFAOYSA-N 226.251 2.366 0 40 BEAB CC(=O)c1c(O)cccc1OCC1CC1 90756324 ZLZLWYNEZNXDTL-UHFFFAOYSA-N 206.241 2.384 0 40 BEAB in-vitro COc1ccc(C2=NC(=C(C)C)C(=O)O2)cc1 5001128 GWUGCNVXACUCGN-UHFFFAOYSA-N 231.251 2.293 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1CC[C@H]2N 306488419 RJIUIJWKWRYISX-MXWKQRLJSA-N 240.347 2.123 0 40 BEAB CCOC(=O)CCC(=O)Nc1ccccc1F 13988611 ARGXAHBOTOHIBI-UHFFFAOYSA-N 239.246 2.108 0 40 BEAB CN(C)CC(C)(C)CNC1CCCCC1 19905909 QCBXYICAROZWBI-UHFFFAOYSA-N 212.381 2.497 0 40 BEAB CNc1nnc(-c2ccc(F)cc2)s1 5015625 OJHHTFHNWDUIGT-UHFFFAOYSA-N 209.249 2.386 0 40 BEAB C/C(=C/C(=O)O)C(=O)Nc1ccccc1Cl 5612436 PNDCJSXTDQXVSI-SREVYHEPSA-N 239.658 2.309 0 40 BEAB CC(C)C[C@@H](O)C(=O)OCc1ccccc1 14491076 LNYCLASVFGVAII-GFCCVEGCSA-N 222.284 2.137 0 40 BEAB CONC(=O)N[C@H](C)C(C)(C)c1ccccc1 162867546 ZZQXOVWZVDLEAC-SNVBAGLBSA-N 236.315 2.213 0 40 BEAB O=S(=O)(O)CCCSc1ccccc1 5604176 GAALPTIHFDGJCL-UHFFFAOYSA-N 232.326 2.057 0 40 BEAB COc1cc(C(C)=O)cc(Cl)c1O 5167529 UWYLEXOXSSAQDU-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB CN1[C@H]2CC[C@H]1[C@@H](NCc1ccccc1)C2 205831917 QDALOTCIMGNUTF-IHRRRGAJSA-N 216.328 2.011 0 40 BEAB CCN1CCCN([C@H]2C=CCCC2)CC1 95396834 RFIVSHNSGSAKJQ-ZDUSSCGKSA-N 208.349 2.123 0 40 BEAB CC(C)(C)C(=O)N[C@H]1CCC12CCOCC2 585406040 AMHNDBSZEYNNDT-JTQLQIEISA-N 225.332 2.108 0 40 BEAB O[C@@H]1CCCC[C@@H]1n1cc(Cl)cn1 38053936 HUSKQOMRXWIBPN-DTWKUNHWSA-N 200.669 2.013 0 40 BEAB Nc1nc2c(s1)[C@@H](c1ccccc1)CC(=O)N2 12376141 NYTDQYAFVXMVKC-MRVPVSSYSA-N 245.307 2.199 0 40 BEAB C=Cc1ccc(C(=O)C(=O)OCC)cc1 43504646 VLLKJFDJLWDOBQ-UHFFFAOYSA-N 204.225 2.075 0 40 BEAB CC(C)=CC/C=C1/CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 4026217 XPGHNXMVHVOVHW-JUYDSFNJSA-N 233.311 2.342 0 40 BEAB biogenic Nc1nc(-c2ccccc2Cl)ns1 20388113 MFNFEBRFRBJSDW-UHFFFAOYSA-N 211.677 2.441 0 40 BEAB in-vitro CCn1nccc1C(=O)Nc1cccc(OC)c1 355951 VVGPPQRSCYRVPK-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB N[C@@H](CC(=O)O)c1ccc(OC2CCCC2)cc1 1235073 WYWOTSWUJAQKCG-ZDUSSCGKSA-N 249.310 2.483 0 40 BEAB N=C(N)Sc1cc(O)c2ccccc2c1O 1666638 RUZSZXBZUQMTFW-UHFFFAOYSA-N 234.280 2.237 0 40 BEAB CCOC(=O)c1ccccc1C(=O)C1CC1 2514269 ATKHDRDYCXFGBW-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB CC(C)[C@@H](N)c1ccc2c(c1)OCCO2 4206726 XEPNGVDTSFPMME-GFCCVEGCSA-N 207.273 2.114 0 40 BEAB in-vitro Cc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 8320676 SVSLAVIUAIRASN-CQSZACIVSA-N 247.338 2.372 0 40 BEAB CC(C)Oc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 9379602 FYRONVMUOKBALL-UHFFFAOYSA-N 247.250 2.014 0 40 BEAB COc1ccc(NC(=O)NC2CCCC2)cn1 10261934 XFXQCCBECUOUJN-UHFFFAOYSA-N 235.287 2.154 0 40 BEAB Nc1nc2ccc(N3CCCC3)cc2s1 20133696 XKVDYAMUOBYLGL-UHFFFAOYSA-N 219.313 2.479 0 40 BEAB in-vitro Cc1ccc(-c2cc(CN)n[nH]2)cc1C 20270439 NFASTJCRQLNUCG-UHFFFAOYSA-N 201.273 2.152 0 40 BEAB Cc1csc(CNC(=O)[C@@H]2CC=CCC2)n1 21482101 MIKOKYALHHAZAI-SNVBAGLBSA-N 236.340 2.424 0 40 BEAB CCCC[C@@](N)(Cc1ccccc1)C(=O)OC 22114015 MTNJHLZOCXMYHU-CQSZACIVSA-N 235.327 2.290 0 40 BEAB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)[nH]1 22414598 XLUWVYXCJYVVRV-UHFFFAOYSA-N 247.250 2.264 0 40 BEAB COCCCNc1nc2ccccc2o1 24832941 YINQROHLSPADBJ-UHFFFAOYSA-N 206.245 2.276 0 40 BEAB O=C(CCc1ccccc1O)NC1CCCC1 26537479 OEVPJBRYWDRGIJ-UHFFFAOYSA-N 233.311 2.384 0 40 BEAB O=c1cc(O)[nH]c2cc(C(F)(F)F)ccc12 28707377 FISQRWQWLJBJJA-UHFFFAOYSA-N 229.157 2.253 0 40 BEAB Cc1ccc(C(=O)N(C)Cc2nccn2C)cc1 32748128 KZXFPKUSXCYACE-UHFFFAOYSA-N 243.310 2.001 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)n1C 32836666 NSTYZLWLSWLSPO-NSHDSACASA-N 243.310 2.220 0 40 BEAB COC(=O)c1cccc(OC)c1Br 34564874 JRMOOUWDJRMZGS-UHFFFAOYSA-N 245.072 2.244 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)CSC(C)(C)C 35133200 IFRIOQIYOPUOIP-UHFFFAOYSA-N 241.360 2.497 0 40 BEAB O=C(CC1CCCCC1)Nc1cn[nH]c1 35237377 YVKXXJUCWGXCLM-UHFFFAOYSA-N 207.277 2.319 0 40 BEAB CCNC(=O)CN(CC)CC1CCCCC1 39990614 QDJSNWTXQWUCFK-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB C[C@@H](N)c1noc(-c2ccc(Cl)cc2)n1 41052244 KOCFZDCYTUODHV-ZCFIWIBFSA-N 223.663 2.410 0 40 BEAB CCOCCCNC(=O)c1ccc(C)cc1C 41590908 DTTKLERMUMYSFE-UHFFFAOYSA-N 235.327 2.460 0 40 BEAB CC1CCN(CC[C@H]2CCCNC2)CC1 42783360 QAJRTDTVDJTEER-CYBMUJFWSA-N 210.365 2.108 0 40 BEAB COc1cccc(C(=O)c2ccc(F)cc2)n1 45028724 MRASIXWLPYLXCL-UHFFFAOYSA-N 231.226 2.460 0 40 BEAB CC(C)(C)c1ccc(N2CCNC(=O)CC2)cc1 47843967 SCASXOZCAPQTGT-UHFFFAOYSA-N 246.354 2.310 0 40 BEAB in-vitro CCc1ccc(C(=O)CCC(=O)OC)cc1 48403088 HSASOEIGISPQJX-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB in-vitro COc1c(C)cc(Cl)c(C)c1C(N)=O 57339754 HOJBPOHXSLIQIB-UHFFFAOYSA-N 213.664 2.064 0 40 BEAB CCOC(=O)c1ccn(-c2cccc(F)c2)n1 58196807 ZKFYNORVXMUKJL-UHFFFAOYSA-N 234.230 2.188 0 40 BEAB Cc1ccc(-c2nc3ncccn3c2N)cc1 61965996 IOAZPXBUYYJTIH-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB COc1ccc(-c2ccnc(CO)c2)c(OC)c1 65397135 NJUNLWHKWVVIME-UHFFFAOYSA-N 245.278 2.258 0 40 BEAB CC1(CNc2ccc(F)cc2F)COC1 70616806 FQOGFZGRAKWBSA-UHFFFAOYSA-N 213.227 2.413 0 40 BEAB CNc1ccc([C@H]2CCCCN2C)cn1 72212491 NFOIKXZXEDCPEF-LLVKDONJSA-N 205.305 2.280 0 40 BEAB NCc1ccc(-c2cccc(F)c2)nc1 72233303 ZVNFPKMXWIZMNO-UHFFFAOYSA-N 202.232 2.346 0 40 BEAB CCNC1CCC(NC(=O)OC(C)(C)C)CC1 79437041 CENLFVKCFRNZIL-UHFFFAOYSA-N 242.363 2.432 0 40 BEAB Cc1noc2ncc(Br)cc12 82372152 UOMBCEWCJFUYER-UHFFFAOYSA-N 213.034 2.294 0 40 BEAB COc1ccc(OC)c(C2([C@@H](C)O)CC2)c1 84420466 MQVGEELVCJPFEA-SECBINFHSA-N 222.284 2.116 0 40 BEAB C[C@]1(c2ccc(Cl)cc2)CNC(=O)C1 85133599 CXMBMJSSMWCTCP-LLVKDONJSA-N 209.676 2.118 0 40 BEAB C[C@@H]1CCC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 91304380 KHAUJGIQMJDINW-RKDXNWHRSA-N 243.303 2.249 0 40 BEAB CN[P@](=O)(N(C)C)C(Cl)(Cl)Cl 95351677 YFZLWSFSYHIZBU-NSHDSACASA-N 239.470 2.288 0 40 BEAB CCOC(=O)COc1cc(F)ccc1Cl 95733999 BERPEHQVESORFN-UHFFFAOYSA-N 232.638 2.421 0 40 BEAB CCOc1cccc(NC(=O)N(CC)CC)n1 95943372 YHTYZBCIJKGYPM-UHFFFAOYSA-N 237.303 2.354 0 40 BEAB CC(C)(C)CC(=O)Nc1ncccc1O 96404466 PXVVTRDWHHUSDY-UHFFFAOYSA-N 208.261 2.162 0 40 BEAB c1ccc([C@@H]2OCC[C@H]2NCc2cc[nH]n2)cc1 96447524 AAIIWHXSXTVDNQ-KGLIPLIRSA-N 243.310 2.030 0 40 BEAB CCCCN1CCN(Cc2ccccc2N)CC1 96523735 LMNAJCZGBITKEE-UHFFFAOYSA-N 247.386 2.187 0 40 BEAB CC(C)OC[C@H]1NCCc2sccc21 96526588 HNOFBYREPLZIIG-SNVBAGLBSA-N 211.330 2.360 0 40 BEAB c1ccc2c(c1)CC[C@@H](Sc1ncn[nH]1)C2 97103006 YLNZZTPKVQOILE-LLVKDONJSA-N 231.324 2.454 0 40 BEAB COc1cccc(CC2CCN(C(C)=O)CC2)c1 97107003 CIMIXZPXYDPYSW-UHFFFAOYSA-N 247.338 2.496 0 40 BEAB O=Cc1ccc(Br)c(F)c1O 97437848 BCHBVHMSOBXQFC-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB in-vitro CC(C)=C(C)CNc1ncnc2nc[nH]c12 98174867 BKGFHLHLTIGRID-UHFFFAOYSA-N 217.276 2.121 0 40 BEAB O[C@@H]1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@H]1C2 101363330 LGLZRUQGFUJOOH-KIJLLGNVSA-N 210.317 2.089 0 40 BEAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 102253551 ABFVODLSARTRLV-MROQNXINSA-N 219.328 2.457 0 40 BEAB Cc1cc(C)n(C[C@@H](C)CNC2CCC2)n1 134675864 KIHGWYBLRVURQH-JTQLQIEISA-N 221.348 2.278 0 40 BEAB Cc1cccc(NC[C@@H](C)Cn2cccn2)n1 157112956 SXJMSSWRDMFHBZ-LLVKDONJSA-N 230.315 2.335 0 40 BEAB COc1c(F)c(F)c(C=O)c(F)c1F 231483552 PCZBUBRBHGQWCL-UHFFFAOYSA-N 208.110 2.064 0 40 BEAB Cc1cn(C)nc1NCc1cccc(O)c1 256052038 LRIXYSDTLWRVFY-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB N#Cc1cnccc1Oc1ccc2c(c1)OCO2 399416718 YDBYSCAUVUQUQI-UHFFFAOYSA-N 240.218 2.474 0 40 BEAB CO[C@@H](CCSC)CNC(=O)CC(C)(C)C 1775968296 XRXRRDMLJMHPGQ-JTQLQIEISA-N 247.404 2.307 0 40 BEAB CN(C)c1ncnc2c1[nH]c1ccccc12 117468 VVTWPRMARBMYHE-UHFFFAOYSA-N 212.256 2.177 0 40 BEAB CC[C@@H]1CCCCN1CC1CCNCC1 37083507 YMMDTACRTPLXLJ-CYBMUJFWSA-N 210.365 2.251 0 40 BEAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(N)=O 77538751 PVGVEMIKXIVFLG-PSASIEDQSA-N 222.263 2.082 0 40 BEAB CSC1=N[C@@]2(C[C@H]2c2ccccc2)C(=O)N1C 1658333 UFKUQROJBMEUTQ-GXFFZTMASA-N 246.335 2.104 0 40 BEAB CC[C@]1(c2ccccc2)S[C@@H](C)C(=O)NC1=O 1752242 JYTPRLZRIWGPBD-TVQRCGJNSA-N 249.335 2.070 0 40 BEAB O=Cc1cc2ccc(O)cc2nc1Cl 108783804 VSTLEAHWWUWTBO-UHFFFAOYSA-N 207.616 2.406 0 40 BEAB CCN(CC)C(=O)[C@H](C)n1ncc(Cl)c1C 2778890 DJKOVPIPLZGQAC-VIFPVBQESA-N 243.738 2.274 0 40 BEAB CC1(C)Oc2ncnc(N)c2[C@@H]1c1ccccc1 4824369 NWSRQSZQCWEPPD-NSHDSACASA-N 241.294 2.362 0 40 BEAB Cc1cccc(-c2ccc(C(=O)O)c(=O)[nH]2)c1 22077262 BFUVPLKCVZCRES-UHFFFAOYSA-N 229.235 2.049 0 40 BEAB in-vitro c1ccc2[nH]c(S[C@@H]3CCNC3)nc2c1 51783975 FOYUFLWZLHKOGS-MRVPVSSYSA-N 219.313 2.017 0 40 BEAB CC[C@@H](C(=O)N1CCNC[C@H]1C)c1ccccc1 54369894 OSAXFPZZSDMGBO-TZMCWYRMSA-N 246.354 2.001 0 40 BEAB CCOC(=N)CC(=O)N[C@H](C)c1ccccc1 102946668 HDCMRRCBSJEOHU-SNVBAGLBSA-N 234.299 2.268 0 40 BEAB O=C(c1c[nH]c2ccccc12)[C@H]1CCCNC1 26513246 WKHIODTZARGTCN-JTQLQIEISA-N 228.295 2.350 0 40 BEAB COc1cc(Cl)ccc1NC(=O)CC(C)=O 3276891 DEUYYSQQVMVIDJ-UHFFFAOYSA-N 241.674 2.266 0 40 BEAB C/C=C/C=C/C(=O)NCCOc1cccc(F)c1 27722714 GXQPCNZBPQESJD-CRBCFSCISA-N 249.285 2.453 0 40 BEAB CNc1cccc(-c2ccc3nnc(C)n3n2)c1 2565106 TZRQKMIWDSAQMS-UHFFFAOYSA-N 239.282 2.141 0 40 BEAB in-vitro CCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 65529158 XKNZWVPDSSQZHN-CYBMUJFWSA-N 247.342 2.292 0 40 BEAB O=C(O)c1cnn2c(-c3ccccc3)ccnc12 4967411 QHXFPNPRUFSDOL-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB CCOCc1nn(CCF)cc1Cl 408715215 GGQAJVXNRKSMMO-UHFFFAOYSA-N 206.648 2.043 0 40 BEAB COCCCNCc1cc(O)nc2ccccc12 9347827 WWAUZVWCKFWJIE-UHFFFAOYSA-N 246.310 2.067 0 40 BEAB CCC[C@@H]1CCCC[C@H]1NC(=O)COC 71796116 GEFMBXWDCJMAFY-GHMZBOCLSA-N 213.321 2.108 0 40 BEAB CC[C@H](C)NCc1ccccc1OCC(=O)O 62716839 DKQQNZHIQVFLPT-JTQLQIEISA-N 237.299 2.038 0 40 BEAB CCNc1ccc([C@@H]2CCCCN2)cn1 72213086 VAGVLEWILYNFPD-NSHDSACASA-N 205.305 2.328 0 40 BEAB CC(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 38337540 CZYVQRKGXAUTPZ-ZETCQYMHSA-N 226.659 2.474 0 40 BEAB COc1ccc([C@H](O)c2ccccc2)cn1 72225046 IOJFOVIXFKMHAZ-CYBMUJFWSA-N 215.252 2.172 0 40 BEAB Clc1ccccc1CNC[C@H]1CCCN1 72202835 ZUXQKLVADHYGQM-LLVKDONJSA-N 224.735 2.182 0 40 BEAB Cc1cc(CO)cnc1NCc1ccccc1 72222322 ZEVYWQPVGXHJMU-UHFFFAOYSA-N 228.295 2.494 0 40 BEAB Cc1cc(N2CCC[C@H](N)C2)c2ccccc2n1 41030131 DJJFXUTWWDOYRO-LBPRGKRZSA-N 241.338 2.471 0 40 BEAB NCC[C@H]1CCCN(Cc2ccccc2)C1 40435017 XCLVAOPYVNRSPN-CQSZACIVSA-N 218.344 2.247 0 40 BEAB CC(C)(C)Oc1nccc(Br)n1 44117979 VUEKMEFODVJTDN-UHFFFAOYSA-N 231.093 2.416 0 40 BEAB CCCc1ccc(CNCCCOC)[nH]1 226020516 MPFYMUDLOYCWSP-UHFFFAOYSA-N 210.321 2.093 0 40 BEAB O=C(O)c1nc(Cc2ccc(Cl)cc2)no1 83338492 LHFMIIXWGVNHRA-UHFFFAOYSA-N 238.630 2.012 0 40 BEAB C[C@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H](C)C1 84697734 QPZSTHFPNYBBLY-FRRDWIJNSA-N 239.359 2.450 0 40 BEAB Cn1c(CCCN)nc2ccc(Cl)cc21 40417111 KSWKIIHOMZOFDP-UHFFFAOYSA-N 223.707 2.118 0 40 BEAB O=C(O)c1cc(Cl)nnc1-c1ccccc1 95096631 NOZHEKWOZTVKAG-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB Cc1cn(C)nc1NCc1cnn(C(C)C)c1C 256053890 UAYPGCCJJGPICY-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Cn1cc(NCc2ccc(F)s2)cn1 256052431 NGIMXEUOKPWUEL-UHFFFAOYSA-N 211.265 2.233 0 40 BEAB CCOC(=O)[C@H]1CCN[C@@H]1c1ccccc1F 257197793 JMCPIUDWVVPLKP-CMPLNLGQSA-N 237.274 2.039 0 40 BEAB CC[C@H](C)NC(=O)N[C@H](C)c1ccccn1 47576751 VNVNGBCISLEPMA-VHSXEESVSA-N 221.304 2.240 0 40 BEAB O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2 168270081 XHRPRBRZRJWLMD-UHFFFAOYSA-N 246.093 2.337 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccnc1 1456445 DYTNYPBYDDSYGQ-GHMZBOCLSA-N 218.300 2.485 0 40 BEAB CCCCNC(=O)c1cc(=O)[nH]c2ccccc12 3294614 KNQPDSFEXAUFFK-UHFFFAOYSA-N 244.294 2.058 0 40 BEAB CCCCC[C@@H]1CCC(=O)O[C@H]1OC(C)=O 5080987 XXBSZTCPBJFCGA-ZYHUDNBSSA-N 228.288 2.409 0 40 BEAB CNC(=O)[C@H](C)Sc1ccc(C)cc1 12909821 AWIDIFRURSAVSO-VIFPVBQESA-N 209.314 2.222 0 40 BEAB CC(C)S(=O)(=O)c1ccc(Cl)c(N)c1 19789018 AYCGIAPKHXOUKQ-UHFFFAOYSA-N 233.720 2.104 0 40 BEAB Cc1cc(Cl)nc([C@@H]2CCCN2C)n1 205697163 MBGCENZKNUKUCY-QMMMGPOBSA-N 211.696 2.205 0 40 BEAB N[C@H](Cc1ccccc1)C(=O)c1ccccc1 6580731 FLVSDXZOBZUNOB-CQSZACIVSA-N 225.291 2.439 0 40 BEAB CC(=O)Nc1cc(C(=O)O)cc(Cl)c1C 5276905 ZHTXVTVDPHUDGU-UHFFFAOYSA-N 227.647 2.305 0 40 BEAB c1cn(-c2ccc(CNC3CC3)cc2)cn1 34652080 JAUPKYZPCKMOAX-UHFFFAOYSA-N 213.284 2.124 0 40 BEAB Cc1cc(OCC(=O)NC2CC2)ccc1Cl 3443818 GFRDRYWZPAUCCT-UHFFFAOYSA-N 239.702 2.306 0 40 BEAB Cc1n[nH]c(SCc2nc3ccccc3[nH]2)n1 4623185 VVGZOUNSQYXDBG-UHFFFAOYSA-N 245.311 2.282 0 40 BEAB Cc1ccccc1NC(=O)CNC(C)(C)C 20056777 HOVYMXORAJTKMB-UHFFFAOYSA-N 220.316 2.322 0 40 BEAB CCCN(CCC)C(=O)Cc1cccc(N)c1 20186031 KPFPGZIJTIEMLT-UHFFFAOYSA-N 234.343 2.460 0 40 BEAB Cc1ccc(N)cc1NC(=O)C1CCC1 20157057 BYGRMXGFZIDTLO-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB CCc1ccc(-c2cc(C(=O)OC)[nH]n2)cc1 30769205 CIDCETQUURRJKO-UHFFFAOYSA-N 230.267 2.426 0 40 BEAB in-vitro Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)no1 40465738 FPTHTVAYBCFPPD-NXEZZACHSA-N 208.305 2.461 0 40 BEAB C[C@@H]1Cn2c(nnc2-c2cccc(O)c2)S1 109433 QIFXHKWRDDZATG-SSDOTTSWSA-N 233.296 2.145 0 40 BEAB C[C@@H](NCCO)c1ccc2ccccc2c1 1666256 NOQIKKRTEGNJJH-LLVKDONJSA-N 215.296 2.483 0 40 BEAB CCOC(=O)CCCCCC(=O)C1CC1 2243661 HUTVQPCWDIQYRZ-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB CCOC(=O)c1cccc(C(=O)CC)c1 2580258 XQNCAVMEDFISSU-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB CCc1ccc(COn2ccnc2)cc1 4003082 ASTSLOZVPYDJFM-UHFFFAOYSA-N 202.257 2.074 0 40 BEAB C[C@H](n1cnnn1)C12CC3CC(CC(C3)C1)C2 4327366 CJCYVXLTLSHMKV-TWJXAIAZSA-N 232.331 2.451 0 40 BEAB CCn1c(=O)c2cnoc2c2ccccc21 5477496 FRKKVNZETWSNEA-UHFFFAOYSA-N 214.224 2.163 0 40 BEAB O=C1C[C@@H](c2cccs2)Cc2[nH]ncc21 8021401 NTZFXLRXWJDMCS-ZETCQYMHSA-N 218.281 2.384 0 40 BEAB CC(=O)c1ccc(OC(=O)C(F)(F)F)cc1 8473657 UXWGCFVHORMHCS-UHFFFAOYSA-N 232.157 2.357 0 40 BEAB CN(C)C(=O)COc1cccc(Cl)c1Cl 8920990 VGQCHBGWCIWKRL-UHFFFAOYSA-N 248.109 2.460 0 40 BEAB Cc1ccccc1CN1CCC[C@H](CN)C1 11888315 ISFLRLLQTOSUHF-CYBMUJFWSA-N 218.344 2.166 0 40 BEAB C/C=C/[C@@H]1OC(=O)C(C)(C)C(=O)C1(C)C 12341715 GXSBHXOJAAYYKJ-CZEYKFRCSA-N 210.273 2.109 0 40 BEAB biogenic Cc1cc2nccc(-c3cccc(N)c3)n2n1 12396182 LPXFDJBDOGRJHN-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB Cc1cc(NC(=O)c2ccccc2)on1 13596627 CADOEQYBQMUJRK-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB CC(C)c1ccc([C@@H](C(=O)O)N(C)C)cc1 16787090 UZIYDNHKPOZTOV-LBPRGKRZSA-N 221.300 2.497 0 40 BEAB CCOC(=O)COc1ccc(F)c(Cl)c1 16971507 HNHZVENZIMYHDY-UHFFFAOYSA-N 232.638 2.421 0 40 BEAB CCCCCCC(=O)Oc1ccc[nH]c1=O 17106263 AJSQLTLNUKJXQS-UHFFFAOYSA-N 223.272 2.251 0 40 BEAB CCOC(=O)CC(=O)c1ccc(CC)cc1 20475438 ACGRWZIBEZTWFS-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB COCc1noc(Cc2c[nH]c3ccccc23)n1 20911332 JVYHZRRTPBUCKU-UHFFFAOYSA-N 243.266 2.288 0 40 BEAB O=C(O)c1[nH]nc2cccc(OC(F)(F)F)c12 21985070 UZSZKLOWCYNRFT-UHFFFAOYSA-N 246.144 2.160 0 40 BEAB CCONC(=O)c1nc(Cl)ccc1Cl 30603826 KZXOAFBVOUHXMS-UHFFFAOYSA-N 235.070 2.070 0 40 BEAB CC1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 32819182 NDNNRWKQKJOMIP-HTAVTVPLSA-N 225.332 2.203 0 40 BEAB c1ccc2c(N3CCSCC3)ncnc2c1 33966660 JSTYPDUGUIZHES-UHFFFAOYSA-N 231.324 2.183 0 40 BEAB COc1ccc([C@H](O)c2ccco2)cc1OC 34447718 PEGLFVHYJCEVNM-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB CCc1ccc(C(=O)N(C)Cc2cc(C)on2)o1 40088952 NDWXUQXIWJQBGU-UHFFFAOYSA-N 248.282 2.411 0 40 BEAB COC(=O)CN(C)Cc1ccc(SC)cc1 40465939 LUACLWKWJKXBLW-UHFFFAOYSA-N 239.340 2.013 0 40 BEAB CCn1nnc(-c2ccc(Cl)cc2)n1 40473938 OOULFUNGQQYLAT-UHFFFAOYSA-N 208.652 2.013 0 40 BEAB NCCc1ccc(C(F)(F)F)c(F)c1 44248809 ASUTZIHTGQNPSY-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB Cc1ccc(N[C@H]2CCN(C(C)C)N2C=O)cc1 59391219 KMCFDQGJZVHGMR-CQSZACIVSA-N 247.342 2.221 0 40 BEAB C[C@@H]1CCCC[C@@]1(N)CNC(=O)OC(C)(C)C 60280001 UTCOPBUSXKFUTP-ZWNOBZJWSA-N 242.363 2.419 0 40 BEAB in-vitro c1nc2cc(CNCC3CC3)ccc2[nH]1 61668508 YLYHLTDKSDHPJF-UHFFFAOYSA-N 201.273 2.063 0 40 BEAB CSc1ncc(CNC2CCCC2)cn1 62717204 MTADJSCPJUKMLC-UHFFFAOYSA-N 223.345 2.231 0 40 BEAB CC1(C)CNCCN1C(=O)OCc1ccccc1 66354497 SZSAOWHLVZPQOL-UHFFFAOYSA-N 248.326 2.007 0 40 BEAB N=C(N)SCc1cc(F)c(F)cc1F 71980728 UWYPWHBUJYEZGX-UHFFFAOYSA-N 220.219 2.231 0 40 BEAB c1cnc2ccc(C[C@H]3CNCCOC3)cc2c1 72344408 OLTLEYYHQWUCTF-ZDUSSCGKSA-N 242.322 2.013 0 40 BEAB Cc1cccc(C)c1NC(=O)c1cnn(C)c1 74716972 XDUZSSICKSUOAU-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB O=C(O)C1(c2ccc3ncsc3c2)CC1 83010640 IARGEVMBPSORNS-UHFFFAOYSA-N 219.265 2.413 0 40 BEAB C[C@H](N)c1nc(-c2c(F)cccc2F)no1 83322428 HHOIZGZMGOSHQV-YFKPBYRVSA-N 225.198 2.035 0 40 BEAB Cc1ccc(C(C)(C)CN(C)C(=O)[C@H](C)N)cc1 83932811 NJTBRWLUZYBECQ-LBPRGKRZSA-N 248.370 2.078 0 40 BEAB O=C(O)C1(Oc2ccccc2Cl)CC1 85392766 HUHIGFZWDGULHC-UHFFFAOYSA-N 212.632 2.336 0 40 BEAB Cc1csc([C@@H](NC(=O)C2CC2)C2CC2)n1 89705337 GXYBRWQRPQDOLZ-JTQLQIEISA-N 236.340 2.429 0 40 BEAB Brc1cccc(COC[C@H]2CO2)c1 95096158 MNKZEYAGNJSLIR-JTQLQIEISA-N 243.100 2.365 0 40 BEAB COC[C@H](C)N(C)c1nc2ccccc2o1 95951835 BYQLJGJWNFLTBX-VIFPVBQESA-N 220.272 2.299 0 40 BEAB CC(C)N1CCC2(CC1)C(=O)Nc1ccccc12 96062818 HQLKWXNZOJBZKF-UHFFFAOYSA-N 244.338 2.381 0 40 BEAB CN(C)c1cccc(CN2CCCC[C@H]2CN)c1 96523579 OLWAAGUGJVBJQX-HNNXBMFYSA-N 247.386 2.066 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CNC[C@@H](C)[S@](C)=O 97099005 DTHDAAIEJBGXJU-BRXULGCHSA-N 243.416 2.335 0 40 BEAB COc1cc(Cl)c(F)c(C(=O)O)c1 108377403 BKLGWTWENNRQTN-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB in-vitro Cc1cc(N)c(C)nc1Br 167446403 NUQWNSNLKAQLLF-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB CC(C)(C)OC(=O)Cc1ncccc1F 199830448 AOPJOCKXZSDNTB-UHFFFAOYSA-N 211.236 2.105 0 40 BEAB COCCCNCc1cccn1CC(C)C 223678240 MLPXPNGTPRSONO-UHFFFAOYSA-N 224.348 2.270 0 40 BEAB Cc1cn(C(C)C)nc1NCc1ccn(C)n1 256054827 XZDFWKHFWRBKPK-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB C[C@H](c1ncccn1)N1CC2(C1)CC(F)(F)C2 930125439 GFWGAAGWDZNAJN-SECBINFHSA-N 239.269 2.269 0 40 BEAB CC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 804561 JKCKIMJFFGXHTG-GFCCVEGCSA-N 233.267 2.007 0 40 BEAB CCNC(=O)Oc1ccc(-c2csnn2)cc1 1387541 VSHNRASUUBQGMG-UHFFFAOYSA-N 249.295 2.313 0 40 BEAB COCCNC(=S)Nc1cccc(Cl)c1 2100384 BPFUTWRKOUHORJ-UHFFFAOYSA-N 244.747 2.273 0 40 BEAB CCCCC(=O)Nc1nnc(SC)s1 4659250 KZXUISVBJIJZFS-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB CCOCC(=O)N[C@@H]1CCCc2ccccc21 4659311 AHOZVBKYRRNWPZ-CYBMUJFWSA-N 233.311 2.217 0 40 BEAB O[C@@]1(c2ccncc2)CCc2ccccc21 5010890 OHMYJENBKYRFGD-CQSZACIVSA-N 211.264 2.264 0 40 BEAB CC(C)NS(=O)(=O)c1ccccc1Cl 6314631 PVGVYNXWQFJCQY-UHFFFAOYSA-N 233.720 2.027 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2N)C1 8703308 HBRDSVZHQXKCKQ-GHMZBOCLSA-N 232.327 2.387 0 40 BEAB O=C(O)C[C@@H](C/C=C\c1ccccc1)C(=O)O 17162029 USYIGOSTVXJXHA-MEQVVJDKSA-N 234.251 2.265 0 40 BEAB NNC(Cc1ccccc1)Cc1ccccc1 19386751 PPYAPMGSEHRLCK-UHFFFAOYSA-N 226.323 2.304 0 40 BEAB Cc1ccccc1CN[C@H](C(=O)O)C(C)C 19787735 GYQBUPQNQJAUQR-LBPRGKRZSA-N 221.300 2.194 0 40 BEAB O=C(CNCC1CC1)Nc1ccc(Cl)cc1 20037582 ZXKHZAAFCCKJNU-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB O=c1c2sccc2[nH]c(=S)n1C1CC1 21949333 UZENOPDNPICWGT-UHFFFAOYSA-N 224.310 2.455 0 40 BEAB Cc1ccc(C(=O)Nc2cnn(C)c2)s1 25311685 JNJWHCQCACGFPH-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)s1 27395237 FZPJESIPZVMNFX-JTQLQIEISA-N 239.340 2.274 0 40 BEAB Cc1ccc(-c2cc(C(=O)N(C)C)n[nH]2)s1 32795736 CVJLTNQVCUCUBR-UHFFFAOYSA-N 235.312 2.148 0 40 BEAB Cc1cc(NCc2ccccc2)n(C)n1 34241696 UMKBLHTZCBNYCJ-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB CN(C(=O)[C@@H](N)c1ccccc1)c1ccccc1 34758234 HANTVCRKMCNYOL-AWEZNQCLSA-N 240.306 2.349 0 40 BEAB C[C@H](Cn1cccn1)NCc1ccccc1F 35271992 SLHZGSLFQOOCKX-LLVKDONJSA-N 233.290 2.201 0 40 BEAB C=CC(=O)N1CCCc2cc(C)ccc21 36334244 VUBKAPIKGMCAEH-UHFFFAOYSA-N 201.269 2.460 0 40 BEAB CCCOc1ccc2c(c1)C(=O)CCO2 36928547 JUUODWWOWQQSAM-UHFFFAOYSA-N 206.241 2.441 0 40 BEAB in-vitro CC[C@@H](N)C(=O)N[C@H](CC)c1ccc(C)cc1 37028319 PNFCUPMXIZEYMX-CHWSQXEVSA-N 234.343 2.300 0 40 BEAB in-vitro Cc1cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1 37859974 PAHDJDXUMQUQHA-LBPRGKRZSA-N 248.370 2.388 0 40 BEAB Cn1c2c(c3ccccc31)[C@H](C(=O)O)CC2 39169659 DLGOJRXNFKWZKQ-SECBINFHSA-N 215.252 2.293 0 40 BEAB CC(C)Sc1nnnn1Cc1cccs1 40468475 PFHHFABHSYJMTO-UHFFFAOYSA-N 240.357 2.283 0 40 BEAB COc1cccc(CNC(=O)C(C)(C)C)c1 44190610 MLLFTIOQNRJCRP-UHFFFAOYSA-N 221.300 2.358 0 40 BEAB COc1ccc([C@@](C)(O)C2CC2)cc1F 55261546 HIKOGITUKLWDRY-LBPRGKRZSA-N 210.248 2.452 0 40 BEAB CC(C)(C)NC(=S)Nc1cccc(O)c1 59110041 PWAVZSFAQAEWMQ-UHFFFAOYSA-N 224.329 2.477 0 40 BEAB C[C@@H]1CCCN(c2cnnc(O)c2Cl)CC1 63282798 WYYHMDDOKYHVOD-MRVPVSSYSA-N 241.722 2.462 0 40 BEAB O=C(Nc1ccccc1)NC(F)(F)F 64220308 NJWVRDKMHWUFTN-UHFFFAOYSA-N 204.151 2.328 0 40 BEAB O=C(O)[C@H]1CCn2cc(-c3ccccc3)nc2C1 75923258 WLXSJSDOQVYTFB-NSHDSACASA-N 242.278 2.197 0 40 BEAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc[nH]1 78592051 YABCYWQDIKJEOG-UHFFFAOYSA-N 226.239 2.143 0 40 BEAB O=C1CCNc2ccc(Br)cc2N1 84198920 FXVWUJGFBZPRNH-UHFFFAOYSA-N 241.088 2.203 0 40 BEAB O=C(O)CC[C@H]1CCC(=O)N1Cc1ccccc1 84848697 QIDFEXAVLDVARN-GFCCVEGCSA-N 247.294 2.042 0 40 BEAB CCc1ccc(C(=O)CC2OCCO2)cc1 85652208 KJKYEGADEFLCTQ-UHFFFAOYSA-N 220.268 2.195 0 40 BEAB CC(C)C[C@@H](C)OCCC(=O)Nc1cn[nH]c1 87103373 OUMIPTQLIHXVAF-SNVBAGLBSA-N 239.319 2.190 0 40 BEAB Cn1cc([C@H]2OCC[C@H]2CNC2CCCC2)cn1 89755260 MPLZXUUMSLPTOD-FZMZJTMJSA-N 249.358 2.030 0 40 BEAB O=C1CCc2c(ccc(Br)c2F)N1 91692737 AYPJAYHRTNIPBX-UHFFFAOYSA-N 244.063 2.473 0 40 BEAB Fc1ccc(COC[C@@H]2CO2)cc1Cl 95096161 RHXXBAINNGIYDR-MRVPVSSYSA-N 216.639 2.395 0 40 BEAB CCNc1ncc(C(F)(F)F)cc1N 95096669 HHOPQWNVQNSNPD-UHFFFAOYSA-N 205.183 2.114 0 40 BEAB CCOC(=O)c1ccccc1C(C)(OC)OC 95634601 HNUZRBGJRRWKAR-UHFFFAOYSA-N 238.283 2.329 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)O)cc1 95970762 LPTMWLGCTBLPHL-BXKDBHETSA-N 247.294 2.298 0 40 BEAB C[C@@]1(c2cccc(Cl)c2)CNCCO1 96526557 YBSAVMKBIMEBCE-NSHDSACASA-N 211.692 2.175 0 40 BEAB COc1ccc(N[C@H](C)C2CCOCC2)cn1 97104541 LYFCRJHHGVIOOD-SNVBAGLBSA-N 236.315 2.317 0 40 BEAB O=C(Nc1ccncc1F)[C@@H]1C[C@H]2C=C[C@H]1C2 102089530 KQAAZCYQNMVSKQ-LPEHRKFASA-N 232.258 2.371 0 40 BEAB Cc1ccccc1[C@H](CN)N1C[C@H](C)O[C@@H](C)C1 216108725 KUIMRTKOXCKTBR-YDHLFZDLSA-N 248.370 2.104 0 40 BEAB O=C(O)/C=C/c1nc(C(F)(F)F)cs1 218732428 AWAIHPCHOLCRBF-OWOJBTEDSA-N 223.175 2.260 0 40 BEAB Cc1cncc(NC[C@@]2(C)CCCS2)n1 302150500 LFNMRLDWETZNCD-LLVKDONJSA-N 223.345 2.483 0 40 BEAB Cc1cnc(NC(=O)C(C)(C)C2CC2)cn1 637676992 BXZJRHYLYCGDHP-UHFFFAOYSA-N 219.288 2.160 0 40 BEAB FC[C@H]1CCN(c2ncnc3ccsc23)C1 882840231 OTQFGAYNXHJMLS-MRVPVSSYSA-N 237.303 2.487 0 40 BEAB COc1ccc(C=C(S)C(=O)O)cc1 1911601280 AMARKEGDFSBLFC-UHFFFAOYSA-N 210.254 2.051 0 40 BEAB O=c1[nH]c(-c2cccc(O)c2)nc2ccsc12 11920667 RCEICPFEYFCDDQ-UHFFFAOYSA-N 244.275 2.357 0 40 BEAB CCc1cnc([C@@H](C)NCc2ccn[nH]2)s1 79020356 MXEWGUAYJZFMPF-MRVPVSSYSA-N 236.344 2.279 0 40 BEAB CC(C)c1noc(CCC(=O)NC(C)(C)C)n1 32967560 LOHIMGMSKUVBBG-UHFFFAOYSA-N 239.319 2.040 0 40 BEAB CCc1c([C@H](C)NCC(N)=O)oc2ccccc12 22150757 ACTCSCRWHHYBRO-VIFPVBQESA-N 246.310 2.131 0 40 BEAB CSC[C@H](N)Cc1ccc(F)cc1F 54495123 CSDLWBZNGGEAGJ-SECBINFHSA-N 217.284 2.198 0 40 BEAB CCNCc1nc2c(s1)C[C@H](C)CC2 53294448 LGFYVUOINGVDGW-MRVPVSSYSA-N 210.346 2.377 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1CCC1 22013997 DSBXGUITJZILAS-VIFPVBQESA-N 243.303 2.155 0 40 BEAB CN(Cc1ccco1)C(=O)C1CCCC1 13021080 AZBVPWZFRSHLJV-UHFFFAOYSA-N 207.273 2.428 0 40 BEAB CCCCC(=O)NCc1ccc(C(=O)O)cc1 13091797 YSXQLLAIXRBUKP-UHFFFAOYSA-N 235.283 2.191 0 40 BEAB C[C@@H]1C(=O)Nc2ccc(-c3csc(N)n3)cc21 3888845 PNFNFZMBTKZVQC-LURJTMIESA-N 245.307 2.448 0 40 BEAB CC1CCC(C)(NC(=O)NC2CC2)CC1 65588427 AZMDVCLUZXXNNF-UHFFFAOYSA-N 210.321 2.417 0 40 BEAB O=C(O)[C@H]1CCc2c(cnn2-c2ccccc2)C1 5327988 LKQCZYSUANDTFH-JTQLQIEISA-N 242.278 2.062 0 40 BEAB Sc1nnc(Cc2ccccc2)s1 6529748 KKZAOQAHLBXTLJ-UHFFFAOYSA-N 208.311 2.418 0 40 BEAB Cc1ccc(O)c(NC(=O)c2csnc2C)n1 97108183 XVGWBBLZTYFHNS-UHFFFAOYSA-N 249.295 2.113 0 40 BEAB O=C(N[C@H]1CCOc2ccccc21)C1CCC1 7215030 IYVBYXNAXRLWAE-LBPRGKRZSA-N 231.295 2.427 0 40 BEAB CN(C)[C@@H](CN)c1ccc(OC(F)(F)F)cc1 22220651 TVGWGARVOMTGOM-JTQLQIEISA-N 248.248 2.147 0 40 BEAB NC(=O)CSc1ccccc1Br 16245435 GBWLMAGRPKUUHM-UHFFFAOYSA-N 246.129 2.027 0 40 BEAB COC[C@@H](NC1CCSCC1)c1ccco1 96478926 OLUBCVSXOXELPQ-LLVKDONJSA-N 241.356 2.452 0 40 BEAB Cc1ccccc1[C@H](CC(C)C)NCC(N)=O 96491720 ZXOQMAGYOWQJMB-ZDUSSCGKSA-N 234.343 2.157 0 40 BEAB CCc1nc(CNC(=O)C2CCC2)cs1 71886507 PCWDRXUXBPPFJC-UHFFFAOYSA-N 224.329 2.122 0 40 BEAB Cc1ccc(NC(N)=O)cc1OC(F)F 114817535 FZAVHNHBJJJHLQ-UHFFFAOYSA-N 216.187 2.087 0 40 BEAB Clc1ccc2c(c1)[C@]1(CCC2)COCCN1 306145356 CHVUFDDVZSOFML-ZDUSSCGKSA-N 237.730 2.491 0 40 BEAB O=C(O)c1cc(Br)cc(Cl)n1 71250791 LURFXJAIIJVQFA-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB CCOc1ccccc1[C@H](CN)N(CC)CC 38827632 HDEUOENKCSHZMT-ZDUSSCGKSA-N 236.359 2.427 0 40 BEAB Cc1ccccc1CNC(=O)C1CCC1 32678660 OZROZYLRDQKQQH-UHFFFAOYSA-N 203.285 2.411 0 40 BEAB CC(C)(C)C(=O)COc1ccc(C(=O)O)cc1 38478298 CXIVXEROWBESNS-UHFFFAOYSA-N 236.267 2.379 0 40 BEAB COc1cc(C)c([C@@H]2CCCCN2)cn1 72218028 KWRPJCGNACVQII-NSHDSACASA-N 206.289 2.213 0 40 BEAB Cc1ccc(CN2CCCC[C@H]2CO)cc1 49751259 RUCUIOODARESCC-AWEZNQCLSA-N 219.328 2.342 0 40 BEAB Cc1nc(SC(F)(F)F)nc(C)c1O 40217207 FHMJFSIPPGWASD-UHFFFAOYSA-N 224.207 2.411 0 40 BEAB CC/C=C(/C)C(=O)N[C@H](C(=O)O)c1ccccc1 134084543 NOOUDLDKISJZHL-UMAGTOLTSA-N 247.294 2.285 0 40 BEAB CO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O 221632633 BWKWLVVFFXDYHZ-GFCCVEGCSA-N 222.284 2.452 0 40 BEAB CC(C)N1N[C@@](C)(c2cccs2)NC1=S 225343368 VALHEWNXJYBDAW-JTQLQIEISA-N 241.385 2.024 0 40 BEAB c1ccc(Cn2cc3c(n2)C[C@@H]2CC[C@H]3N2)cc1 96510262 JXEJEWOQGSCZGP-GXTWGEPZSA-N 239.322 2.281 0 40 BEAB Cc1ccn(CC(F)(F)C(F)(F)F)n1 96509117 TXRMDFUZOQUTRC-UHFFFAOYSA-N 214.137 2.389 0 40 BEAB C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 91304388 KHAUJGIQMJDINW-IUCAKERBSA-N 243.303 2.249 0 40 BEAB Cc1nc(COC(=O)c2ccncc2)oc1C 96481331 LABNRGHPMGXWTK-UHFFFAOYSA-N 232.239 2.043 0 40 BEAB Fc1cncc(-c2noc([C@@H]3CCCCN3)n2)c1 95096658 YLWRSEFEVJATMX-JTQLQIEISA-N 248.261 2.085 0 40 BEAB CC[C@@H](C)[C@H](OC)C(=O)Nc1nc(C)cs1 331036075 NANNIWCFNZHGGS-APPZFPTMSA-N 242.344 2.451 0 40 BEAB CS(=O)(=O)/C=C/c1cccc(Cl)c1 95095240 WHGWJUNTYREPPX-AATRIKPKSA-N 216.689 2.355 0 40 BEAB O=C(Cc1cccs1)NC[C@H]1CCCS1 96462159 LJFBBGQFVQLRAQ-SNVBAGLBSA-N 241.381 2.302 0 40 BEAB CC[C@@H]1COc2cc(Br)cnc2N1 261507676 LBFXHDJEZAMZEC-SSDOTTSWSA-N 243.104 2.427 0 40 BEAB CC[C@H](C)[C@H]1COC(c2ccccn2)=N1 34275667 HACGYFCGBPVQLQ-GXSJLCMTSA-N 204.273 2.273 0 40 BEAB CCOC[C@H](O)CN1[C@H](C)C[C@H]2CCCC[C@H]21 245316835 KUHYGFZTKSQOJJ-AAVRWANBSA-N 241.375 2.037 0 40 BEAB CC(C)(C)n1nccc1-c1ncccn1 72190517 DNXRMICPOBQBJM-UHFFFAOYSA-N 202.261 2.095 0 40 BEAB CC(C)[C@@H](CO)NCCc1ccc(F)c(F)c1 156413594 ONGXPQPENZHYSC-CYBMUJFWSA-N 243.297 2.114 0 40 BEAB C[C@H](Cn1cccn1)NCc1ccsc1 35272259 ONSJTEVIOSIDMC-SNVBAGLBSA-N 221.329 2.123 0 40 BEAB Cc1nn(C)cc1CNC(=O)CCC1CCCC1 12009344 WRZQNUXFLIAYDC-UHFFFAOYSA-N 249.358 2.315 0 40 BEAB O=c1[nH]c(-c2ccccc2)nc2c1CCS2 16920418 PWVNGOKEJSRATH-UHFFFAOYSA-N 230.292 2.085 0 40 BEAB Cc1cc(N2C(=O)CCC2=O)c2ccccc2n1 5394206 IRUIFIBHNKLIAI-UHFFFAOYSA-N 240.262 2.197 0 40 BEAB CCn1nccc1-c1cccc([C@H]2CCCN2)n1 1848355324 KIDPBFDHWBBYAH-LLVKDONJSA-N 242.326 2.390 0 40 BEAB O=C(/C=C/c1cccc(F)c1)NC1CC1 1156 NCOOUEIQXVWKTO-QPJJXVBHSA-N 205.232 2.118 0 40 BEAB in-man Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 40161037 DFVYSXFNAAXTPS-ZMLRMANQSA-N 247.342 2.340 0 40 BEAB CN(C)C(=O)c1cc2cc3c(cc2s1)OCO3 339106 QWGDSTPRRRECSW-UHFFFAOYSA-N 249.291 2.332 0 40 BEAB CN(C)CCSc1nnc(-c2ccccc2)o1 386081 YSGAMTVFIHHPJH-UHFFFAOYSA-N 249.339 2.390 0 40 BEAB CCOC(=O)Nc1ccc(C(=O)OC)cc1 116394 ATSBYHRDASJHSQ-UHFFFAOYSA-N 223.228 2.042 0 40 BEAB O=C(Nc1ccc(F)c(F)c1)c1csnn1 1387589 RGPBGTIJVQMQKZ-UHFFFAOYSA-N 241.222 2.069 0 40 BEAB CCc1ccc(NC(=S)NC(C)=O)cc1 1480403 RMOFGFCHLJYULO-UHFFFAOYSA-N 222.313 2.082 0 40 BEAB CO[C@H]1CCCCN1C(=O)c1ccccc1 1614425 HTKAMCXNPVWFAZ-LBPRGKRZSA-N 219.284 2.285 0 40 BEAB CC(C)c1nnc(NC(=O)C(F)(F)F)s1 3160577 HXGBFURMNVWKNR-UHFFFAOYSA-N 239.222 2.162 0 40 BEAB COc1ccc2cc([C@@H](O)[C@@H](C)O)ccc2c1 3844037 CWZNIRHUMZESFD-OTYXRUKQSA-N 232.279 2.263 0 40 BEAB biogenic CSc1nn(C)c2cc(C)c3ccccc3[n+]12 4822366 XOYDEQSOCORENK-UHFFFAOYSA-N 244.343 2.342 0 40 BEAB O=C(OC[C@H]1CCCO1)C(Cl)(Cl)Cl 5426143 KRASDIKFKQEXPK-RXMQYKEDSA-N 247.505 2.079 0 40 BEAB N=C(N)SCCOc1ccc(Cl)cc1 6881317 NLTYZFTWGZMLAZ-UHFFFAOYSA-N 230.720 2.345 0 40 BEAB CCOc1ccc2[nH]c(C(=O)OC)cc2c1 8325053 MRBORMMDAXQYQH-UHFFFAOYSA-N 219.240 2.353 0 40 BEAB Cc1ccc(NC(=O)c2cnc(C)cn2)c(O)c1 8762600 DPVHVUZNNQFQBB-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB Cc1[nH]c2c(-c3ccccc3)cnn2c(=O)c1C 9187275 ZORBYSLUVKPOQZ-UHFFFAOYSA-N 239.278 2.306 0 40 BEAB OCCCn1nc(C(F)F)cc1C(F)F 12357737 GALCQAUCNYMUQV-UHFFFAOYSA-N 226.173 2.141 0 40 BEAB CCCNC(=S)Nc1cccc([C@@H](C)O)c1 16678221 AFIWLYSTAYQVCJ-SECBINFHSA-N 238.356 2.436 0 40 BEAB C1=NN=C2SC(Cc3ccccc3)=N[C@@H]12 17957969 BRUSTASFBBNNDO-VIFPVBQESA-N 215.281 2.141 0 40 BEAB N=C(N)c1ccc(Oc2ccc(F)cc2)nc1 19509470 VLCIFTCOGITQJB-UHFFFAOYSA-N 231.230 2.297 0 40 BEAB in-vitro COc1ccc(OC)c(CNCC(C)C)c1 19883247 LVKFOHKOLDEHBM-UHFFFAOYSA-N 223.316 2.449 0 40 BEAB Cc1cc(COc2ccc(C=O)cc2)no1 20253963 VZIPUHOIRMPGAX-UHFFFAOYSA-N 217.224 2.375 0 40 BEAB CCC(=O)N1CCN(c2ccccc2C)CC1 20572689 XGYFKLVIRJOPGK-UHFFFAOYSA-N 232.327 2.054 0 40 BEAB CCCN1CCC(NC(=O)CC(C)C)CC1 20595086 JHRFPRRFTMDXRO-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB CC(C)N1CCN(c2ccccc2)CC1 22200289 KRNQNTPUHRIZIE-UHFFFAOYSA-N 204.317 2.217 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 32903798 UFTXJUZJSOMUAQ-NXEZZACHSA-N 249.358 2.155 0 40 BEAB CCn1nccc1Nc1ccccc1C(=O)O 34552847 ACTKAZUTVUVIGV-UHFFFAOYSA-N 231.255 2.345 0 40 BEAB CCOC(=O)C(=O)CCCc1ccccc1 34632965 MJCZYRJTANZIEI-UHFFFAOYSA-N 220.268 2.142 0 40 BEAB NC[C@@H](c1cc(F)ccc1F)N1CCCC1 37233435 CLYKXGWKSBKPPK-LBPRGKRZSA-N 226.270 2.060 0 40 BEAB C=CC(=O)Nc1ccc(Cn2cccn2)cc1 37789991 IRWISVUQKDTBCC-UHFFFAOYSA-N 227.267 2.056 0 40 BEAB Cc1cc(CCN)ccc1Br 39109526 VOOSSNUFARORTK-UHFFFAOYSA-N 214.106 2.259 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cccn1 40496964 VKPKOVXGEYVTHX-IJLUTSLNSA-N 235.331 2.139 0 40 BEAB C[C@@H]1COC[C@@H](C)N1C(=O)CCc1ccccc1 40634622 JSZLFDZPTSCBCB-CHWSQXEVSA-N 247.338 2.255 0 40 BEAB CCCC(CCC)NCc1cnn(C)c1 41054630 WRMPWKKFOLPABQ-UHFFFAOYSA-N 209.337 2.479 0 40 BEAB CCCOc1nccc(Br)n1 44117974 BWZYWSCFMSUIBV-UHFFFAOYSA-N 217.066 2.028 0 40 BEAB COc1cccc(-c2ncc(CO)s2)c1 45205730 IGQCDZVDJSFVFG-UHFFFAOYSA-N 221.281 2.311 0 40 BEAB CCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1 49368590 PGXIARWMSVPWGX-QWRGUYRKSA-N 221.300 2.289 0 40 BEAB CN(C)c1ccc(NC(=O)C2CCCC2)nc1 49466839 YSZDVRYBFFJXCH-UHFFFAOYSA-N 233.315 2.276 0 40 BEAB CCNc1ccc(C(=O)NC2CCCC2)cn1 50725669 BFMQWAXXADBWFW-UHFFFAOYSA-N 233.315 2.186 0 40 BEAB O=C(O)c1cccc(NCc2cncs2)c1 54770463 BUTJRDNKIIWPLT-UHFFFAOYSA-N 234.280 2.453 0 40 BEAB O=C(CCc1ccc(F)cc1)OCc1ccon1 71914295 QYVWHSFPRFCWDX-UHFFFAOYSA-N 249.241 2.490 0 40 BEAB CSCC[C@H](N)c1nnc(-c2ccccc2)o1 72210633 VFHOKQNWPQCOAA-JTQLQIEISA-N 249.339 2.490 0 40 BEAB N[C@H](c1ccccc1)c1ccc(S)nc1 72225684 RCTDFGJXQOWFDH-GFCCVEGCSA-N 216.309 2.418 0 40 BEAB NC[C@H]1CCCn2cc(-c3ccccc3)nc21 72226604 OJLKJKYJGPZOJI-GFCCVEGCSA-N 227.311 2.386 0 40 BEAB CCn1c(N)nc2ccc(Br)cc21 83739207 ISPNMRVYCBNKHM-UHFFFAOYSA-N 240.104 2.401 0 40 BEAB NC(=O)c1cccc(OC2CCCC2)c1 89780675 PNFZKAGFQRXREM-UHFFFAOYSA-N 205.257 2.107 0 40 BEAB C[C@H]1c2ccccc2CCN1CCC(=O)O 89941516 MYLNJKDJGSTGEQ-JTQLQIEISA-N 219.284 2.080 0 40 BEAB COC(=O)c1sc(C=O)cc1C(F)(F)F 91692263 ZPLZSGUMLATIOW-UHFFFAOYSA-N 238.186 2.366 0 40 BEAB Cc1nccc(-n2c(C)nc3ccccc32)n1 94165993 VMSXGHAUBWUDIA-UHFFFAOYSA-N 224.267 2.432 0 40 BEAB CC(C)Cn1cc(-c2nc(CN)cs2)cn1 95093932 LSCWXRDBBZSVHP-UHFFFAOYSA-N 236.344 2.121 0 40 BEAB CC[C@H](COC)N[C@@H]1CCC[C@@H]1SC 95968636 IIYCHJYQGHDGLZ-MXWKQRLJSA-N 217.378 2.285 0 40 BEAB C[C@H]1CCCC[C@H]1CNCC1(CO)CC1 97086588 FDMZTADUSKHIMW-RYUDHWBXSA-N 211.349 2.175 0 40 BEAB CCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 101465840 ANTQYKULVIZWAS-JTQLQIEISA-N 229.320 2.422 0 40 BEAB CCO[C@H](Cc1c(C)cccc1C)C(=O)O 225032471 GCIMFQJLXRSVAK-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB CCCC1=NN[C@@H]2CC(C)(C)CC(=O)[C@@H]12 228929736 DCXXPROQGVEQJV-KOLCDFICSA-N 208.305 2.120 0 40 BEAB c1csc(CN2CCC3(CCNCC3)C2)c1 257711793 SYZWXNYMZUAEQA-UHFFFAOYSA-N 236.384 2.324 0 40 BEAB CN(C)C(=O)N[C@@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@H]21 299754783 QOBMKVRRANLSMZ-RNWYCLNJSA-N 222.332 2.082 0 40 BEAB c1csc(-c2cnc3n2CC[C@]32CCNC2)c1 306125227 CJXZLONDONGPAP-ZDUSSCGKSA-N 245.351 2.246 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 536948755 QCHGODCFACBXAX-LPEHRKFASA-N 208.644 2.310 0 40 BEAB Clc1cccnc1OC[C@H]1CCCO1 585655265 ZLRMBJKPYKNWOY-MRVPVSSYSA-N 213.664 2.293 0 40 BEAB COC(=O)CSc1nc2ccccc2o1 480096 ZBEDJPDEINGEHM-UHFFFAOYSA-N 223.253 2.093 0 40 BEAB CNc1nnc(-c2ccc(N(C)C)cc2)s1 1352432 RAZDXJFATYJLQG-UHFFFAOYSA-N 234.328 2.313 0 40 BEAB aggregator OC1(n2nnc3ccccc32)CCCCC1 3162478 QZISKFXIYJCCMZ-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB O=C1OCC[C@H]1Sc1ncnc2ccccc12 3295066 AUNNEOARXBVGRF-SNVBAGLBSA-N 246.291 2.037 0 40 BEAB S=C(NCc1ccccc1)NN1CCCCC1 3360173 LIHCMPQAQBANLV-UHFFFAOYSA-N 249.383 2.052 0 40 BEAB CC(C)CNC(=O)c1cc(Br)c[nH]1 4038480 YBRXIUBULMRPMU-UHFFFAOYSA-N 245.120 2.163 0 40 BEAB CCOCc1nnc(NC(=O)C(C)(C)C)s1 4510365 JGHFZEIRUIFCSX-UHFFFAOYSA-N 243.332 2.059 0 40 BEAB Cc1nnsc1C(=O)NC1CCCCCC1 7002596 WWDBTNPQCDGBBO-UHFFFAOYSA-N 239.344 2.299 0 40 BEAB CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 14168571 DSZGNYZTZHLNAA-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB COC(=O)C[C@H](N)c1ccc(C(F)(F)F)cc1 15440643 SNVRBOCTVFEKPZ-VIFPVBQESA-N 247.216 2.268 0 40 BEAB Cc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)cc1 18182700 LWXSNOAJMDZUIC-UHFFFAOYSA-N 233.296 2.485 0 40 BEAB C[C@H](NN)c1ccc(C(F)(F)F)cc1 19511960 TZKVOQWRDYPRAK-LURJTMIESA-N 204.195 2.230 0 40 BEAB C[C@H]1CCCCN1Cc1ccc(C(=N)N)cc1 19518879 HZXPTOCSCMRGCB-NSHDSACASA-N 231.343 2.345 0 40 BEAB CC[C@]12OCCN1C[C@@H](c1ccccc1)O2 19864918 JOPJKJFVMPDVNI-QWHCGFSZSA-N 219.284 2.154 0 40 BEAB CC[C@H](Oc1ccccc1C)C(=O)N(C)C 19934288 MCSWKNQLWIQRAW-NSHDSACASA-N 221.300 2.241 0 40 BEAB COc1ccc(OCc2ccccn2)c(C=O)c1 21952070 PZJIEYBOHZIPIN-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB O=C(COc1ccc(F)cc1)Nc1ccccn1 27652966 ZLLKGNVJLJHLEQ-UHFFFAOYSA-N 246.241 2.238 0 40 BEAB CCn1ccc(NC(=O)c2ccccc2OC)n1 27929967 VVYKZFYONPUJBJ-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB NC[C@@H](O)c1cccc(OCc2ccccc2)c1 32101115 QIYWBYUBHXYPGT-OAHLLOKOSA-N 243.306 2.258 0 40 BEAB C[C@@H]1CN(c2nc3ccccc3n2C)C[C@@H](C)O1 33863906 JRZHYBYMOSOUES-GHMZBOCLSA-N 245.326 2.187 0 40 BEAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H](C)C(C)C 36398070 BTDPXYAAJABFCB-JARNTUPDSA-N 249.358 2.211 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1 38235968 QWCIETZJHLAWCB-NWDGAFQWSA-N 215.252 2.225 0 40 BEAB CCC(C)(C)NC(=O)c1cc(C2CC2)on1 40489351 OYJJFVALYTWFEX-UHFFFAOYSA-N 222.288 2.470 0 40 BEAB CSCC(=O)Nc1ccc(Cl)cn1 41818152 HLCXARFIRMDBLY-UHFFFAOYSA-N 216.693 2.037 0 40 BEAB Nc1ccc(S)c(Br)c1 43597888 DXZLYROLTUXSQW-UHFFFAOYSA-N 204.092 2.320 0 40 BEAB in-vitro CC[C@@H](C)C(=O)NCCn1cnc2ccccc21 58268283 MHTDSPSTGFESKO-LLVKDONJSA-N 245.326 2.199 0 40 BEAB CCOC(=O)NCCc1ccc(C)cc1 61997461 AKRJHXWPMSYODJ-UHFFFAOYSA-N 207.273 2.284 0 40 BEAB CC(C)(C)[C@H](O)CNC(=O)NC1CCCCC1 71902357 BATNNZDPBGAYFF-LLVKDONJSA-N 242.363 2.025 0 40 BEAB Cc1cc(CCO)cnc1N1CCCCCC1 72222499 QOHXGUADQFJXOI-UHFFFAOYSA-N 234.343 2.305 0 40 BEAB CC(C)[C@H]1CC(=O)N1C(=O)OC(C)(C)C 72481900 GHJDWXKOEPOVGM-MRVPVSSYSA-N 213.277 2.178 0 40 BEAB CCN(CC)C(=S)S[C@H]1C[C@H](C)OC1=O 72685733 LWYQSYPRAPNDIA-YUMQZZPRSA-N 247.385 2.050 0 40 BEAB c1ccc(CNCCO[C@@H]2CCCCO2)cc1 77272575 YUUJCVDCOIEXHN-CQSZACIVSA-N 235.327 2.319 0 40 BEAB in-vitro CN[C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C 79437582 SSLOSKCKBZUWFU-QWRGUYRKSA-N 242.363 2.384 0 40 BEAB c1ccc(CN2CCC[C@@H]3CNCC[C@H]32)cc1 82354477 TZOUPQXQHUBGOP-HUUCEWRRSA-N 230.355 2.261 0 40 BEAB in-vitro Cc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1C 84177776 XDCYGIUKVHQCOM-AWEZNQCLSA-N 246.354 2.001 0 40 BEAB O[C@@H]1CCC[C@@H]1CNc1cnc2ccccc2n1 89167358 QBPBPYDTDATWNA-ZWNOBZJWSA-N 243.310 2.203 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2)CC1 91304605 BPYIYZOVEKWAIC-CYBMUJFWSA-N 240.347 2.140 0 40 BEAB Cc1cc2c(cc1C)/C(=C/C(=O)O)CO2 94993340 HXPXXYDBWSKERH-WEVVVXLNSA-N 204.225 2.164 0 40 BEAB Nc1nc(-c2ccccc2F)ccc1C(=O)O 96517627 SCHJQNWCMFEPJJ-UHFFFAOYSA-N 232.214 2.168 0 40 BEAB CCCCn1nccc1N[C@H]1CCCOC1 97045654 JIGSFGDUQLUFOP-NSHDSACASA-N 223.320 2.274 0 40 BEAB Cc1cc(=S)n2nc(C(F)(F)F)nc2[nH]1 101380553 ZYPVWWHTMYAYEW-UHFFFAOYSA-N 234.206 2.114 0 40 BEAB CCc1c[nH]c(SCC(=O)OC(C)(C)C)n1 129168433 AZABJCKPZAQSGF-UHFFFAOYSA-N 242.344 2.406 0 40 BEAB C[C@@H]1CCC[C@@H](CCn2ncccc2=O)C1 195417885 RZIXIEBXGSTWQJ-NEPJUHHUSA-N 220.316 2.460 0 40 BEAB Cc1nccn1CCCNC[C@H]1C[C@@H]2C=C[C@@H]1C2 195537158 BKLYYGDFUQLEKM-RBSFLKMASA-N 245.370 2.383 0 40 BEAB C[Si](C)(C)c1cc(F)c(C(=O)O)c(F)c1 196206347 ONNCXXVPVXKFKH-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB COc1ccc(-n2c(C)ccc2C(=O)O)cc1 223748833 NHIPWDZMQBUWMV-UHFFFAOYSA-N 231.251 2.493 0 40 BEAB CCCN(c1cccc(OC)c1)[C@@H](C)C(=O)O 224997523 HEPVETXALFYWQA-JTQLQIEISA-N 237.299 2.385 0 40 BEAB CCNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 227165829 RXQXFOFTBMRYAZ-NSHDSACASA-N 243.310 2.247 0 40 BEAB Fc1ccc(CNC[C@@H]2CCCO2)s1 256050104 CRLYXWSYPKGLFN-QMMMGPOBSA-N 215.293 2.156 0 40 BEAB CCCCNCc1cnn(CC(F)F)c1 256053963 UJNLWGTZJIWGRN-UHFFFAOYSA-N 217.263 2.038 0 40 BEAB CCOC(=O)C1(C(C)C)CCC(=O)CC1 888088120 ILNKYODTIZYXGJ-UHFFFAOYSA-N 212.289 2.335 0 40 BEAB O=C(O)c1cc2cncc(Br)c2[nH]1 953109773 PACPSUMHYNDDFU-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CN(c1ccc2ccccc2c1)[N+](=O)[O-] 348047 YDDYIIYNWUYKQQ-UHFFFAOYSA-N 202.213 2.468 0 40 BEAB CC(C)(C)c1cc(O)cc(C(=O)O)c1O 1640961 ZTYUNUXQCPXNQH-UHFFFAOYSA-N 210.229 2.094 0 40 BEAB O[C@H](c1ccc2cccnc2c1)[C@@H]1CCCCN1 1729520 MNCWVFJXBARQLI-DZGCQCFKSA-N 242.322 2.410 0 40 BEAB COc1cc(C(=O)OCC(C)C)ccc1O 1747263 UHAKIKIZNNBILR-UHFFFAOYSA-N 224.256 2.214 0 40 BEAB CC(=O)CSc1nnc(-c2ccco2)o1 4740812 GDCKZVFRYLXEQE-UHFFFAOYSA-N 224.241 2.011 0 40 BEAB Cc1cc[n+](C[C@H](O)c2ccccc2)cc1 6522260 CWDIXNGPTCGMOR-AWEZNQCLSA-N 214.288 2.016 0 40 BEAB O=C(O)CC[C@@H](CC(=O)O)c1ccccc1 6575565 FVQKPAFDGMJTDG-JTQLQIEISA-N 222.240 2.110 0 40 BEAB Nn1c(S)nnc1-c1ccc2ccccc2c1 8732350 DVNPWJBPZGRAMR-UHFFFAOYSA-N 242.307 2.101 0 40 BEAB Cc1cccc([C@@H](C(=O)O)C2CCNCC2)c1 82343107 LULPKPULQZGVGZ-ZDUSSCGKSA-N 233.311 2.163 0 40 BEAB COC(=O)CC[C@@]1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 108359573 UNJPZBCQPIYUEJ-ICCXJUOJSA-N 224.300 2.335 0 40 BEAB O=C(O)c1ccn(Cc2ccccc2)c1 57340959 ZDXQRPRUTRYTCC-UHFFFAOYSA-N 201.225 2.235 0 40 BEAB in-vitro CC(C)c1nc(CCN2CCCCCC2)n[nH]1 62719491 IFSKFWSWPKXFPQ-UHFFFAOYSA-N 236.363 2.347 0 40 BEAB COC[C@@H](C)NC(=O)Nc1ccc(F)cc1C 58282673 NLVGKUXKBJJFFI-SECBINFHSA-N 240.278 2.291 0 40 BEAB N=C(N)Nc1ccc(C(F)(F)F)cc1 2513206 IUNFWMWQNWQIFS-UHFFFAOYSA-N 203.167 2.011 0 40 BEAB in-vitro CC(=O)c1sc(NC[C@@H]2CCCO2)nc1C 3503987 KIOUUCKLQRRTHR-VIFPVBQESA-N 240.328 2.245 0 40 BEAB C[C@H](NC(=O)[C@H]1CCCO1)c1cccc(F)c1 12977078 JXAGVEKCVKBHDZ-JOYOIKCWSA-N 237.274 2.182 0 40 BEAB CCN[C@@H](c1ccccc1)[C@@H]1CCOC1 48624485 XUEJOCIXALVVRQ-OLZOCXBDSA-N 205.301 2.374 0 40 BEAB NC(=O)CCCCSc1ncc2ccccn12 65724419 JTIRISYFTVPSQS-UHFFFAOYSA-N 249.339 2.082 0 40 BEAB COc1cc(C=O)cc(OC)c1OCC(F)F 37756029 SZNSPJJPZPRCQY-UHFFFAOYSA-N 246.209 2.160 0 40 BEAB Cn1ccc(NCc2cccc(F)c2)n1 20350234 VZWNOEMXRCCMDH-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB CCC(C)(C)NC(=O)CN(C)c1ccccc1 66696737 FVTVIHZZQZQWAX-UHFFFAOYSA-N 234.343 2.428 0 40 BEAB CCC[C@H](O)c1nc2ccccc2n1C 20897545 LVPMAHNONVBCSE-NSHDSACASA-N 204.273 2.407 0 40 BEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2C)c1 7801428 YRMMRZLPGIMWEW-GXSJLCMTSA-N 247.294 2.376 0 40 BEAB CC(C)n1nc(-c2ccccc2)ccc1=O 38790846 NBJZWSPMEGALTK-UHFFFAOYSA-N 214.268 2.491 0 40 BEAB CCn1nc(C(=O)Nc2ccc(C)cc2)cc1N 408715987 HOGGLSKGVIVUIJ-UHFFFAOYSA-N 244.298 2.046 0 40 BEAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 32787748 IEJIMLDSAATWGJ-CMPLNLGQSA-N 233.315 2.127 0 40 BEAB COc1ccc(O)c(-n2nc3ccccc3n2)c1 38313722 PITPRNOGWXAZAW-UHFFFAOYSA-N 241.250 2.135 0 40 BEAB CCCN1CCc2cc3c(cc2C1)OCO3 1704007 PVVKAHNXBXEBEV-UHFFFAOYSA-N 219.284 2.183 0 40 BEAB biogenic OC[C@@H](c1ccc(F)cc1F)N1CCCC1 70452787 WVMNFPHWMOQFTK-LBPRGKRZSA-N 227.254 2.094 0 40 BEAB CNc1ccc([C@H](N)c2ccccc2)cn1 72225114 IZKKLRRJCJBCOU-CYBMUJFWSA-N 213.284 2.171 0 40 BEAB Cc1ccnc([C@@H]2CCCCN2C=O)c1 72211217 CMZAWGUNQYCVOT-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CC(C)(C)c1ccc(/C=C/C(N)=O)cc1 33433004 QEBRXZNDCHCQDS-RMKNXTFCSA-N 203.285 2.483 0 40 BEAB CC[C@H](O)c1cnc(N2CCCC2)cc1C 72223475 ZGXRAFQUUUKFJX-LBPRGKRZSA-N 220.316 2.434 0 40 BEAB Cc1cncc(CNC(=O)OC(C)(C)C)c1 120923111 FKCJLQYPKFVRIU-UHFFFAOYSA-N 222.288 2.415 0 40 BEAB Cc1ccsc1CN(CCN)C(C)C 79436121 QBHCIOXWKGNOIV-UHFFFAOYSA-N 212.362 2.226 0 40 BEAB c1cc(-c2nc([C@H]3CCCCCN3)no2)ccn1 135981525 QELAJKPAJKWNTC-LLVKDONJSA-N 244.298 2.336 0 40 BEAB COc1cccc(CN2C[C@@H](C)OC[C@H]2C)c1 45838925 YBWDEQGDJJMQRM-VXGBXAGGSA-N 235.327 2.304 0 40 BEAB CC(C)[C@@H](C)Sc1ncnc2[nH]ncc12 89791244 XZHDASDCTQVECR-SSDOTTSWSA-N 222.317 2.490 0 40 BEAB CO[C@H](C)c1nc(Cl)cc(Cl)n1 86574359 JULSPDFQDUUWSL-SCSAIBSYSA-N 207.060 2.491 0 40 BEAB O[C@H]1CCOc2ccc3ncccc3c21 85399835 QUYCRVKLPAXUBY-JTQLQIEISA-N 201.225 2.051 0 40 BEAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CNC[C@@H]21 96251695 JEWIBWVDQXTDOA-KKUMJFAQSA-N 230.355 2.385 0 40 BEAB N[C@H](c1ccncc1)c1cc(F)ccc1F 90225634 ULCQZXRSMQHROF-GFCCVEGCSA-N 220.222 2.408 0 40 BEAB Cc1ccc(C)c(-c2ccnn2CCN)c1 96527675 NQMGOOJWFSQHRV-UHFFFAOYSA-N 215.300 2.126 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)[C@H]3CC=CCC3)CC[C@@H]2O1 96045937 LGKKOYALEASUJZ-XUXIUFHCSA-N 249.354 2.369 0 40 BEAB C=CC(=O)O[C@@H]1CC[C@H]2[C@H]3C=C[C@H](C3)[C@@H]21 95890340 VTUJVKUOIFFTME-UGCHFJIKSA-N 204.269 2.316 0 40 BEAB CC12CC3(C)CC(CO)(C1)CC(CO)(C2)C3 4931294 QTEXCNQLVLUGAN-UHFFFAOYSA-N 224.344 2.338 0 40 BEAB CN(C)CCOc1ccc2cc[nH]c2c1 145632535 ANRLEJURDIHPKR-UHFFFAOYSA-N 204.273 2.108 0 40 BEAB CCCNC(=S)Nc1cc(C)ccn1 5225295 WGIPWMOYGAGTLY-UHFFFAOYSA-N 209.318 2.086 0 40 BEAB CC(=O)CCSc1nc(C)cc(C)n1 5541371 KLNSRZQRLIQPOU-UHFFFAOYSA-N 210.302 2.165 0 40 BEAB O=C(O)c1ccccc1C(=O)N1CCCCCC1 12137488 DYQGKIXLYNNGCT-UHFFFAOYSA-N 247.294 2.401 0 40 BEAB Cc1cc(NCCCN)c2ccccc2n1 19721385 MWUHGXNNMYCXIS-UHFFFAOYSA-N 215.300 2.304 0 40 BEAB O=c1c2ccccc2[nH]c(=S)n1CC1CC1 89923 VRJLADAESJEQAK-UHFFFAOYSA-N 232.308 2.469 0 40 BEAB C[C@@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228300 IZNCWHSGTREGNN-MROQNXINSA-N 209.333 2.092 0 40 BEAB NCCCc1nc(-c2ccccc2Cl)no1 20268720 CWFKILCQKCEZHM-UHFFFAOYSA-N 237.690 2.281 0 40 BEAB Cc1cc(CN(C)C(=O)c2cccc(F)c2)no1 40087876 HWIGZBSAHOTVCU-UHFFFAOYSA-N 248.257 2.394 0 40 BEAB CCCC(C)(C)NC(=O)c1cccc(C(N)=O)c1 50808319 WMBRXUQNRWWXOJ-UHFFFAOYSA-N 248.326 2.094 0 40 BEAB NC(=O)c1ccc(C(=O)c2ccccc2)cc1 49995 VSPMAHXVUGOFMD-UHFFFAOYSA-N 225.247 2.017 0 40 BEAB O=S(=O)(c1ccccc1)C1CCCC1 1595595 DZWZKYPGAIYJAU-UHFFFAOYSA-N 210.298 2.403 0 40 BEAB O=C(O)[C@H]1CCCN(Cc2ccccc2F)C1 3749317 KOXCBDNTCRUQDS-NSHDSACASA-N 237.274 2.122 0 40 BEAB CCOc1ccccc1Nc1nc(C)cc(=O)[nH]1 5625460 PPCRGLQOEQWRGX-UHFFFAOYSA-N 245.282 2.221 0 40 BEAB CC(C)Cn1cc(C(=O)O)c2ccccc2c1=O 6724960 KHWZWHBGCGZGLA-UHFFFAOYSA-N 245.278 2.356 0 40 BEAB CCN(CC)C(=O)c1cccc(NC(C)=O)c1 6787958 FJLNGZDMXFPNFL-UHFFFAOYSA-N 234.299 2.127 0 40 BEAB NC(=O)c1cccc(NC(=O)C[C@@H]2C=CCC2)c1 14019824 PZNOGNLVAKKPDS-SNVBAGLBSA-N 244.294 2.080 0 40 BEAB Nc1ccc(-c2nc3[nH]ncc3c(=S)[nH]2)cc1 18180517 ZFJVTWKDRRXKNX-UHFFFAOYSA-N 243.295 2.265 0 40 BEAB CCCc1nc(C2CC2)ncc1C(=O)O 20286662 JMFZCXRFAVXDMP-UHFFFAOYSA-N 206.245 2.005 0 40 BEAB Nc1nonc1-c1nc(-c2ccccc2)cs1 20387541 QBKHFQLHFIWYPZ-UHFFFAOYSA-N 244.279 2.442 0 40 BEAB N[C@@H]1CCCN(Cc2ccccc2Cl)C1 20495009 CKKVFLXFSLUBDB-LLVKDONJSA-N 224.735 2.263 0 40 BEAB CCOc1cc2c(cc1NC(C)=O)O[C@H](C)C2 21841114 MASVGFZIPQABDU-MRVPVSSYSA-N 235.283 2.367 0 40 BEAB Brc1c[nH]c(-c2ccco2)n1 22126095 NFXUANZVXMTEJL-UHFFFAOYSA-N 213.034 2.432 0 40 BEAB O=C(O)c1cc(-c2cc(F)ccc2F)on1 22213160 SVCYNBOGEKUCON-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB COc1ncccc1C(=O)NCc1ccccc1 32755096 CWZXUMTUFSQVFR-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCc2ccccc21 32999930 VRHKNDXADWWYPA-ONGXEEELSA-N 201.269 2.232 0 40 BEAB O=C(O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 37245226 XKPVROAHJNFQAE-UHFFFAOYSA-N 245.234 2.151 0 40 BEAB in-vitro Cc1ccc(/C=C/C(=O)Nc2nnc[nH]2)c(C)c1 40479565 FVNIBTHEKDCSLV-AATRIKPKSA-N 242.282 2.073 0 40 BEAB C[C@H](NC(=O)Nc1nccs1)C1CC1 42652204 SZCZYSJIUFBERM-LURJTMIESA-N 211.290 2.063 0 40 BEAB COCCNc1cc(C)c(Br)cn1 42783949 PRVWFINPLYPGCB-UHFFFAOYSA-N 245.120 2.211 0 40 BEAB CN(C)C(=O)c1ccc(Br)c(F)c1 43578889 SQSHZRBCVHCKPX-UHFFFAOYSA-N 246.079 2.290 0 40 BEAB COc1ccc(NC(=O)N2CCC[C@H](C)C2)cn1 48019135 UFSDEIVXOMZYCM-JTQLQIEISA-N 249.314 2.354 0 40 BEAB Cc1cn(CC(=O)N(C)C)c2ccccc12 50559181 PWFGBINBMNMCJK-UHFFFAOYSA-N 216.284 2.038 0 40 BEAB C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CO1 58324163 ONGFIMHMTAZHPB-RYYBZQDPSA-N 245.322 2.336 0 40 BEAB Nc1cc(-c2cnccn2)ccc1Cl 69048750 PBBWMTQAMUTVGW-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB CCc1[nH]nc(NC(=O)Nc2ccccn2)c1C 69775979 LNOQJASEPGLQLM-UHFFFAOYSA-N 245.286 2.320 0 40 BEAB O=C(N[C@H]1CCCc2occc21)C1CC1 70250674 WLVVDNYQVVUUSL-JTQLQIEISA-N 205.257 2.183 0 40 BEAB C[C@H]1CC(O)C[C@@H](C)N1C(=O)OC(C)(C)C 72206947 RNQIRWQBYRTJPG-ULKQDVFKSA-N 229.320 2.155 0 40 BEAB CNc1ccc([C@@H]2CCCCN2C)cn1 72212490 NFOIKXZXEDCPEF-NSHDSACASA-N 205.305 2.280 0 40 BEAB CCSc1ncccc1[C@@H]1CCCN1C=O 72217168 JLHSOFHHJBGTDQ-NSHDSACASA-N 236.340 2.487 0 40 BEAB CC(C)[C@@H](C)Oc1ccccc1[C@H](O)CN 72220128 ITGCVAJWXCSFHD-ZYHUDNBSSA-N 223.316 2.102 0 40 BEAB OCC1(c2cc(C3CC3)on2)CCCC1 72220632 OOKVWQMRXWRANR-UHFFFAOYSA-N 207.273 2.356 0 40 BEAB COc1ccc([C@@H]2CCCCN2C=O)cc1 72221525 IGWQSQQTTGMYDF-ZDUSSCGKSA-N 219.284 2.379 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](O)C1 72233471 YEWSLYNGBGAZEV-LBPRGKRZSA-N 249.310 2.471 0 40 BEAB CCn1c2cc(C)sc2c2cnn(C)c(=O)c21 72373605 AFXJOIVVYSGWGU-UHFFFAOYSA-N 247.323 2.278 0 40 BEAB C[C@H](N)COc1ccc(C(F)(F)F)cc1 75881435 LEDXTXLXZZVLGQ-ZETCQYMHSA-N 219.206 2.431 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCNCC12CCC2 82327553 AHIGUTRJWDFHRW-JTQLQIEISA-N 240.347 2.043 0 40 BEAB CN(CCCC(=O)O)CCc1cccs1 82602646 RIUXXABVWDNJFW-UHFFFAOYSA-N 227.329 2.087 0 40 BEAB CNCc1cc(Cl)c(O)c(Cl)c1 82725285 OIPXOJUMAJPRBJ-UHFFFAOYSA-N 206.072 2.418 0 40 BEAB CN(C)C(=O)c1csc(-c2ccoc2)n1 89312157 GHHIQGPTYSSNPF-UHFFFAOYSA-N 222.269 2.105 0 40 BEAB CC(C)COCCNC1CCN(C(C)C)CC1 95967492 DBUBOMZQLZYSRJ-UHFFFAOYSA-N 242.407 2.121 0 40 BEAB CCOc1cc(Cl)cc(C(=O)O)c1OC 214346922 UKYLCISGFIONEZ-UHFFFAOYSA-N 230.647 2.446 0 40 BEAB COc1ccc(CCN[C@@H]2CCCC[C@H]2N)cc1 218856575 PHQGZTBHYWLDBZ-HUUCEWRRSA-N 248.370 2.097 0 40 BEAB CCO[C@H](Cc1ccc(C)c(C)c1)C(=O)O 225035317 MFIMMTPDGWQOOZ-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB c1ccc(-n2cccc2)c(N2CCOCC2)c1 226245987 KKPZQUPJCAVCAR-UHFFFAOYSA-N 228.295 2.314 0 40 BEAB N=C(Cc1ccc(C(F)(F)F)cc1F)NO 228913538 PJXZTUOUVLIIMX-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB O=Cc1cncc(Cc2ccccc2)c1O 263617495 OAGIHMKDTIQNNT-UHFFFAOYSA-N 213.236 2.191 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@H](N)CC2 306759546 PKSZGPBBVMWUDH-AXFHLTTASA-N 240.347 2.266 0 40 BEAB CO[C@H]1c2ccccc2C[C@H]1Sc1cnn[nH]1 521395266 MRCIKICLNLQQCJ-PWSUYJOCSA-N 247.323 2.209 0 40 BEAB Cc1ccc(F)c(-c2nnc(C)n2C)c1 906206380 MQIFCFFDFQVLMY-UHFFFAOYSA-N 205.236 2.238 0 40 BEAB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCO 953119855 VAYGHFNJQFTZJD-GHMZBOCLSA-N 243.347 2.262 0 40 BEAB O=C(NC1CCCCC1)c1cc2c(nn1)CCC2 1888849699 NZAGRYAVSXYMNL-UHFFFAOYSA-N 245.326 2.028 0 40 BEAB CS(=O)(=O)Nc1ccc2ccccc2c1 1645152 GCUBKBSOPVVMBJ-UHFFFAOYSA-N 221.281 2.211 0 40 BEAB Cc1cc(N)nn1COc1cccc(Cl)c1 2534976 JGMIOFBGILBMMJ-UHFFFAOYSA-N 237.690 2.464 0 40 BEAB Nc1c(-c2ccc(F)cc2)nc2cnccn12 4625454 HLCONPPRQDXWIG-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB Nc1ccc2c(c1)[C@@H](O)c1cccc(C(=O)O)c1-2 4830560 WFEKSIGFFQIXAN-ZDUSSCGKSA-N 241.246 2.029 0 40 BEAB COc1cc(C(=O)N2CCCC2)cc(OC)c1C 33019267 SVJCGJOCDJKFMV-UHFFFAOYSA-N 249.310 2.248 0 40 BEAB Fc1cccc(CSc2ncn[nH]2)c1 6926064 YXMMQEJNJDLBPJ-UHFFFAOYSA-N 209.249 2.236 0 40 BEAB S=c1[nH]ncn1NCc1ccccc1Cl 7601221 CKJIXHNXILZJRG-UHFFFAOYSA-N 240.719 2.338 0 40 BEAB CN(CCc1ccncc1)Cc1ccccn1 97051081 DFUNLTORSBSVBQ-UHFFFAOYSA-N 227.311 2.151 0 40 BEAB O=C1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1C2 100003166 PDLKQXJZJXLNBA-KQXIARHKSA-N 208.301 2.297 0 40 BEAB biogenic Cc1occc1C(=O)Nc1ccc(N(C)C)nc1 22419735 ZHVHSYCFDFCLQG-UHFFFAOYSA-N 245.282 2.301 0 40 BEAB N[C@H](CCc1c(Cl)cccc1Cl)C(=O)O 57956392 ZUJMOCTVPCVSRM-SECBINFHSA-N 248.109 2.338 0 40 BEAB CCCOc1ccc(C(=O)O)c(OC)c1 34086589 BYPSTFUCGUMFDO-UHFFFAOYSA-N 210.229 2.182 0 40 BEAB in-vitro CSc1nnc(Cc2ccccc2)[nH]1 9050175 SFVODLAUZPEDTD-UHFFFAOYSA-N 205.286 2.117 0 40 BEAB Cc1ccc(C(=O)NCCCN(C)C(C)C)o1 41927314 DQUMRSWLEKRKCY-UHFFFAOYSA-N 238.331 2.048 0 40 BEAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100860535 QECZLPBEKKZRFH-CKYFFXLPSA-N 219.284 2.332 0 40 BEAB CCNCc1c(C)nn(CC2CC2)c1C 54717400 DWUFLMVODDXTCW-UHFFFAOYSA-N 207.321 2.019 0 40 BEAB O=C1CC(N2CCCCC2)=NN1c1ccccc1 3160303 SHLLXVVESYBPBO-UHFFFAOYSA-N 243.310 2.223 0 40 BEAB Cc1cc(NC(=O)CCc2ccco2)no1 25631587 MAZKEPUTLCGUJH-UHFFFAOYSA-N 220.228 2.147 0 40 BEAB CCOCCOC(=O)N/C=C/c1ccco1 3104763 WJNGJAVAJPOFGU-AATRIKPKSA-N 225.244 2.013 0 40 BEAB CCO[C@@H]1C[C@H](NC2CCCCCC2)[C@@H]1OC 97057954 BLKGSAMNMMVEKW-MJBXVCDLSA-N 241.375 2.491 0 40 BEAB CC1CCN(C(=O)Cc2cccc(N)c2)CC1 20155034 IBBDPFHZRUKKEC-UHFFFAOYSA-N 232.327 2.070 0 40 BEAB C[C@H](NC1=NCCS1)c1ccccc1 3239378 JXFZUEXOEBPBHP-VIFPVBQESA-N 206.314 2.440 0 40 BEAB in-vitro O=[P@]1(c2ccccc2)N[C@H]2CCCC[C@H]2N1 301054526 ZLMVSVNPXVVJFU-ATCWAGBWSA-N 236.255 2.009 0 40 BEAB COc1cc(F)cc([C@@H]2CCCNC2)c1 38539410 QOYAAJZWWOLDJD-SECBINFHSA-N 209.264 2.301 0 40 BEAB C[C@H](N)Cc1cn(C)c2ccc(F)cc12 13693545 HRRHRVZKRPMRAV-QMMMGPOBSA-N 206.264 2.207 0 40 BEAB in-vitro O=C(O)c1ccc(Cl)cc1N1CCCC1=O 4218429 ZHYKUDYDCHFXRN-UHFFFAOYSA-N 239.658 2.165 0 40 BEAB Cc1noc(CN2CCC[C@H](C(F)(F)F)C2)n1 65549886 VXENOVPWFXCUJY-QMMMGPOBSA-N 249.236 2.152 0 40 BEAB CN(C)c1ccc(NC(=O)C(F)(F)F)cc1 5334354 XTIZNMGZFPOBET-UHFFFAOYSA-N 232.205 2.253 0 40 BEAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CC1 5896700 PAESGINFBHVINK-UHFFFAOYSA-N 219.328 2.481 0 40 BEAB CC(C)C(=O)N[C@@H]1CCCc2occc21 69373364 JADBAAHMWJCFBW-SNVBAGLBSA-N 207.273 2.429 0 40 BEAB O=C(NC1CC1)N1CC[C@H](c2cccc(F)c2)C1 71856580 CUVOERRRCCLLFP-NSHDSACASA-N 248.301 2.487 0 40 BEAB O=C(c1ccoc1)N1C[C@H]2CC=CC[C@H]2C1 89885118 FHRUAQKDNDYZJU-PHIMTYICSA-N 217.268 2.318 0 40 BEAB CCc1ccc(-c2oncc2CO)cc1 409422581 IBGBOWIDQASGML-UHFFFAOYSA-N 203.241 2.396 0 40 BEAB OCCc1ccc(OCc2ccccc2)nc1 72225401 XHAZEWSMJXBRFV-UHFFFAOYSA-N 229.279 2.195 0 40 BEAB CC(C)CN1CCc2cc(N)ccc2C1 218747047 PSNMIQNUXFMMRF-UHFFFAOYSA-N 204.317 2.283 0 40 BEAB CC1(C)CNCN1Cc1ccc(Cl)cc1 72320668 MJZDLIOQQCDLFH-UHFFFAOYSA-N 224.735 2.481 0 40 BEAB CCOc1cc(CNC(=O)CC)ccc1OC 74629068 FIJDVJXMXFOBNC-UHFFFAOYSA-N 237.299 2.120 0 40 BEAB Cc1cncnc1C1CCN(C(=O)C(C)C)CC1 72350760 FGBXSFYHGJWYEP-UHFFFAOYSA-N 247.342 2.147 0 40 BEAB CC(C)Oc1ccc([C@@H]2CCCN2C=O)cn1 72211886 ZJYXNVCGEZLZQH-LBPRGKRZSA-N 234.299 2.162 0 40 BEAB CCOC(=O)c1coc2cccc(O)c12 225759021 IFVKWHDYVIBCFN-UHFFFAOYSA-N 206.197 2.315 0 40 BEAB CCCc1ccc(CNC[C@@H]2CCCO2)n1C 226020714 GCNKCUZRQDQKKS-AWEZNQCLSA-N 236.359 2.246 0 40 BEAB Cn1c(C=O)nc2cc(Br)ccc21 82328908 ZAJSAYQLLBKWQQ-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB C[Si](C)(C)c1ccnc(F)c1Cl 196297459 YGBAMCBYPBZMAH-UHFFFAOYSA-N 203.720 2.419 0 40 BEAB CCCOc1nn(C)c2cc(C(=O)O)ccc12 225772109 VBCUEVZEEHEGMR-UHFFFAOYSA-N 234.255 2.060 0 40 BEAB COC(=O)c1snnc1-c1cccs1 223844599 HRPULLVMCBYTKR-UHFFFAOYSA-N 226.282 2.053 0 40 BEAB O=C(Nc1ccc2[nH]ccc2c1)C1CCNCC1 40809752 QOFDXTZLSAXDHO-UHFFFAOYSA-N 243.310 2.106 0 40 BEAB Cc1ccc(-c2nnc([C@H]3CCN(C)C3)o2)cc1 49169914 FXIDQVKLBPVKSZ-LBPRGKRZSA-N 243.310 2.464 0 40 BEAB biogenic,in-vitro O=C1NCc2c(Cl)cc(Cl)cc21 80443352 QQNMVGPIDSWXTK-UHFFFAOYSA-N 202.040 2.237 0 40 BEAB CCOC(=O)c1cn2ccc(CC)cc2n1 141330057 CPRFHRKJGCYBBF-UHFFFAOYSA-N 218.256 2.073 0 40 BEAB COCCN1CCC[C@@H]1c1ccc(OC)cc1 53398655 QWLYPHYQPRRIQX-CQSZACIVSA-N 235.327 2.479 0 40 BEAB C[C@@]12CC[C@@H](CC1=O)[C@]2(C)CCC(=O)O 245204338 YMCGZMYNZAJAAY-KPXOXKRLSA-N 210.273 2.247 0 40 BEAB Cc1cn(CCF)nc1NCc1ccco1 256052491 NMZXABKHZSIYQP-UHFFFAOYSA-N 223.251 2.366 0 40 BEAB N#Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-] 396110873 HYUFWIVVJVVWHC-UHFFFAOYSA-N 232.117 2.365 0 40 BEAB Cc1ccc(C)n1-c1nc(C(=O)O)cs1 85347565 JQTLOXQPYQDVCB-UHFFFAOYSA-N 222.269 2.249 0 40 BEAB O=C(c1cccnc1)N1CCC[C@@H]2CCC[C@H]21 89793929 PEYXARVGHKTKPT-WCQYABFASA-N 230.311 2.486 0 40 BEAB CNc1nnc(Cc2ccccc2OC)s1 5015645 DQHJRGJDZCJMES-UHFFFAOYSA-N 235.312 2.179 0 40 BEAB Cc1nc(N2[C@@H](C)CCC[C@@H]2C)ncc1C(=O)O 13638926 JSIQFJUEZCCIMR-IUCAKERBSA-N 249.314 2.251 0 40 BEAB O[C@@]1(c2ccc(F)cc2)CCC[C@@H]2CNC[C@@H]21 13997957 KADNKMBDWLQVRJ-DDTOSNHZSA-N 235.302 2.033 0 40 BEAB COc1ccccc1-c1ccc(N)nc1 16948016 PQDCKSAJBIUHSZ-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB CC(=C/C(=O)O)/C(=C/c1ccccc1)C(=O)O 1513779 MPVJIYIIVIHOMK-JLUCNAMBSA-N 232.235 2.186 0 40 BEAB O=C(c1ccc(F)cc1F)[C@H]1CCCCN1 82601516 XXBNUYRVTZVHQQ-LLVKDONJSA-N 225.238 2.290 0 40 BEAB COC(=O)CSc1nc2ccccc2nc1C 40050127 YHTVLACPQOYSAP-UHFFFAOYSA-N 248.307 2.203 0 40 BEAB CCCc1n[nH]c(S[C@H]2CCCCC2=O)n1 31794954 LTIJMDIAKGKLCE-VIFPVBQESA-N 239.344 2.361 0 40 BEAB C[C@H](C(=O)O)[C@@H](C(=O)O)[C@H](C)c1ccccc1 101124819 AOOUEKJMMFRAPN-YWVKMMECSA-N 236.267 2.212 0 40 BEAB O=C1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 101345066 NFJXWSGDBZJYSN-KBPBESRZSA-N 229.323 2.488 0 40 BEAB in-vitro OC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 101544004 WJEZASBTWYDHPJ-WUHRBBMRSA-N 233.311 2.115 0 40 BEAB CC(=O)O[C@H](CN1CCCC1)C(C)(C)C 106435 DKXYAWDMVVNISY-LLVKDONJSA-N 213.321 2.060 0 40 BEAB O=C(c1cccnc1)N1CCCCCC1 1460938 BLOGHYAYHMEERX-UHFFFAOYSA-N 204.273 2.098 0 40 BEAB CCCCS(=O)(=O)N(CCC)CCC 1732385 LMQNHBLEZDYPLV-UHFFFAOYSA-N 221.366 2.238 0 40 BEAB CCNC(=N)c1ccc(Br)cc1 3165145 IEPBLXLQWVYMRP-UHFFFAOYSA-N 227.105 2.384 0 40 BEAB COc1ccc2nc(N3CCCC3=O)sc2c1 3212970 PGQGMNUOYDEVIQ-UHFFFAOYSA-N 248.307 2.432 0 40 BEAB CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 4031459 LDYZADQDAXBOIE-LURJTMIESA-N 210.302 2.226 0 40 BEAB C1CC[C@@H]2C[C@@H](NC3=NCCO3)CC[C@@H]2C1 5046319 GEUSRXMGTZSERI-TUAOUCFPSA-N 222.332 2.321 0 40 BEAB O=C(O)[C@H]1CCCC[C@H]1NCc1ccccc1 8698813 JJPUFVPBTBJPNO-QWHCGFSZSA-N 233.311 2.420 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@@H](N)CC(C)C 11960985 DDGLQLUBEQXGDK-AWEZNQCLSA-N 248.370 2.409 0 40 BEAB in-vitro CN(C)C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12368195 MHIRUPHZSNZDCI-UHFFFAOYSA-N 237.215 2.035 0 40 BEAB C[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2 12394747 WMFULLMJQHHBFB-RXMQYKEDSA-N 248.204 2.036 0 40 BEAB Nc1cc(F)ccc1-n1cc(Cl)cn1 12395385 IJPHINKTTXLZCF-UHFFFAOYSA-N 211.627 2.247 0 40 BEAB O=C(NC1CCCCCCC1)c1ccc[nH]c1=O 13003036 ALWFHIMIYZKYAJ-UHFFFAOYSA-N 248.326 2.218 0 40 BEAB COn1cc(CC[C@@H](C)CO)c2ccccc21 14517484 FGYVMFMFZWJGDY-LLVKDONJSA-N 233.311 2.261 0 40 BEAB biogenic CC[C@@H](C)NC(=O)Cc1cccc(F)c1 19934858 LCLJLVUPBYOURW-SECBINFHSA-N 209.264 2.283 0 40 BEAB CCCN1CN=C(S)N(Cc2ccccc2)C1 20171492 KLKUNAPCWMIACG-UHFFFAOYSA-N 249.383 2.415 0 40 BEAB COc1cccc(C=O)c1OCc1ccncc1 20282903 ITMROXPSYRRICS-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB Nc1cccc(-c2cn3c(n2)SCC3)c1 26420610 FEQNFBGFDOIMFC-UHFFFAOYSA-N 217.297 2.238 0 40 BEAB COc1ccc2c(Cl)cc(=O)oc2c1 34071319 HAQYGPNMDSAAOO-UHFFFAOYSA-N 210.616 2.455 0 40 BEAB C1=C2CCCN[C@@H]2[C@@H]2C[C@H]1[C@@H]1CCCCN1C2 37242664 SKOLRLSBMUGVOY-XGUBFFRZSA-N 232.371 2.169 0 40 BEAB N#Cc1nc(Cl)c(Cl)c(Cl)n1 39186183 XGEJRWSZUQUEKB-UHFFFAOYSA-N 208.435 2.308 0 40 BEAB CCOCCCNC(=O)Cc1ccccc1C 45291934 UHRINWNBSGPQRO-UHFFFAOYSA-N 235.327 2.080 0 40 BEAB CCOC(=O)c1cnc2c(C)ccc(F)c2c1N 50843269 JLSVQDLOQDSEFT-UHFFFAOYSA-N 248.257 2.441 0 40 BEAB CN(C)C(=O)c1cccc(-n2cccc2)c1 61470786 LUFXCQJVGNMWAH-UHFFFAOYSA-N 214.268 2.179 0 40 BEAB CCc1noc(CN(C)[C@H](C)CC(C)C)n1 69419912 NKVXTZJUPHYACE-SNVBAGLBSA-N 225.336 2.498 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@H](C)[C@H]1CN 70176664 OGWZDUBOIVNKHI-GXTWGEPZSA-N 246.354 2.194 0 40 BEAB O=Cc1ccccc1Oc1ccc(C(=O)O)cn1 70453848 SKSSJJQVNAKLTA-UHFFFAOYSA-N 243.218 2.385 0 40 BEAB COC[C@H](C)NC(=O)N(C)[C@H](C)C(C)(C)C 71798663 VFIYYQPQQUKAOY-VHSXEESVSA-N 230.352 2.097 0 40 BEAB Clc1ccccc1CNC[C@H]1CCCNC1 72202908 MTIUEAPWQNCULQ-NSHDSACASA-N 238.762 2.429 0 40 BEAB COC(=O)Cc1ccc([C@H](C)OC)cc1 72220173 NURSSWQSBVRDFR-VIFPVBQESA-N 208.257 2.110 0 40 BEAB CCn1cc(CNc2ncccc2C)cn1 72226607 GAPULCDPAQXZOS-UHFFFAOYSA-N 216.288 2.219 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN1C(=O)C(C)C 72361243 WDPHOBBHLACUPL-SNVBAGLBSA-N 221.304 2.038 0 40 BEAB Cc1ccc(-c2noc([C@H](C)N)n2)c(C)c1 82975975 DWVFXFMTFPYTOM-VIFPVBQESA-N 217.272 2.373 0 40 BEAB CCSC[C@H](C)N(C)c1nnc(C)s1 89275224 JCGMLLLSZNMGEF-ZETCQYMHSA-N 231.390 2.424 0 40 BEAB Cc1cnc([C@@H](NC(=O)C2CC2)C2CC2)s1 89702371 BNWIBYWNJKQNCC-JTQLQIEISA-N 236.340 2.429 0 40 BEAB CS[C@@H](C)CNC(=O)/C=C/c1ccc(C)o1 95434445 RUMOBWPMGPDVIL-FGEFZZPRSA-N 239.340 2.469 0 40 BEAB C[C@H]1C[C@H](C(=O)OC2(C)CCC2)CCC1=O 95461537 KZHQJEHEUQINIJ-VHSXEESVSA-N 224.300 2.478 0 40 BEAB O=C1Nc2cc(Br)ccc2C12CC2 95803775 OQBQBDOESUSKEE-UHFFFAOYSA-N 238.084 2.433 0 40 BEAB NC[C@H]1CCCCN1Cc1c(F)cccc1F 96319956 UAZRGPUASWFGAT-SNVBAGLBSA-N 240.297 2.278 0 40 BEAB OCC[C@H](NCC(F)(F)F)c1ccccc1 96490932 FTZHVDMTIAEKKT-JTQLQIEISA-N 233.233 2.262 0 40 BEAB CC[C@H](C)[C@@H](NC)C(=O)OCc1ccccc1 98044086 ATJJWXDHFSKJKM-WCQYABFASA-N 235.327 2.364 0 40 BEAB CC(=O)O[C@H]1[C@H]2C[C@H]3CC[C@H]4CS[C@H]1[C@H]4[C@H]23 101043004 BONMBFVZKGKDFQ-UUGWRUOISA-N 238.352 2.326 0 40 BEAB O=C(Nc1ncccc1O)[C@H]1C[C@H]2CC[C@H]1C2 106523161 ZPVYJUHXCQWSIK-GUBZILKMSA-N 232.283 2.162 0 40 BEAB Cc1ccc(F)c(-c2n[nH]cc2C=O)c1 106679528 HRSGZAUKUGIWBO-UHFFFAOYSA-N 204.204 2.337 0 40 BEAB Cc1cccc([C@H](C)NCC(C)(C)C(N)=O)c1 183637749 NXNOMFHTWHWXDB-NSHDSACASA-N 234.343 2.157 0 40 BEAB CCC[C@@H](C)Nc1ccc(C(=O)NC)cc1N 212215199 LXVWQFGCELOISS-SECBINFHSA-N 235.331 2.229 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@@H]2[C@@H](C)O)c1 216294836 ZEKOAWYKSMNJMM-FBIMIBRVSA-N 222.284 2.188 0 40 BEAB C/C(=C\C(=O)O)C/C(C)=C/[C@H](C)C(=O)O 225460408 WLVNOJMYBIEIPJ-HMNNVMPBSA-N 212.245 2.074 0 40 BEAB biogenic,in-vitro CN(CCCCCF)C[C@@H]1CCCO1 225469055 VUYCMMTUNLAMHB-NSHDSACASA-N 203.301 2.237 0 40 BEAB C[C@@H]1CC[C@H]1Cn1cc(Br)c(N)n1 242463779 DLDLHUVIVGWEBV-RQJHMYQMSA-N 244.136 2.274 0 40 BEAB Oc1ncnc2c(OC3CCCC3)ccnc12 253536507 TXMWWXHORRMWPS-UHFFFAOYSA-N 231.255 2.052 0 40 BEAB COC(=O)c1cc(O)c(Cl)c(Cl)c1 306937399 LDFZRLTTYCWICE-UHFFFAOYSA-N 221.039 2.486 0 40 BEAB c1ccc(CN2CCc3nocc3C2)cc1 307502183 IYBUKCFBEJKFIG-UHFFFAOYSA-N 214.268 2.233 0 40 BEAB Cc1ccsc1COc1cnccn1 585655144 UPSDIGQBBPKAAN-UHFFFAOYSA-N 206.270 2.426 0 40 BEAB Cc1ccc(CN[C@@H]2COC3(CCC3)C2)nc1C 658036767 YOVGCLYNEGDHFK-AWEZNQCLSA-N 246.354 2.500 0 40 BEAB CCOC(=O)[C@H](C)CCc1ccncc1 1675572 FKIQFMGIYWKBQU-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB O[C@@H]1C2(CCCCC2)CN[C@@]12C=CCCC2 1722973 IOXFYROGVKPFKG-TZMCWYRMSA-N 221.344 2.380 0 40 BEAB Cc1nc2ccccc2n1C1CCNCC1 2577369 WGJYFRCGHVCIHT-UHFFFAOYSA-N 215.300 2.269 0 40 BEAB in-vitro COC(=O)NCCCCc1ccccc1 2773454 YDSOHTVZEZJZGL-UHFFFAOYSA-N 207.273 2.365 0 40 BEAB CC[C@H](C)P(=O)(N1C[C@@H]1C)N1C[C@@H]1C 4721237 QMRVDEQQFYHIBF-XVYRRCRQSA-N 216.265 2.386 0 40 BEAB O=C1Nc2ccc(F)cc2[C@@H]1CCCCO 6744019 BJTPHHHQUXBPKI-VIFPVBQESA-N 223.247 2.024 0 40 BEAB Cc1ccc(O[C@H](C)C(=O)NC2CC2)cc1 8499635 FMMLMLMEESLNKM-SNVBAGLBSA-N 219.284 2.041 0 40 BEAB CCc1cc2c(N3CCC3)ncnc2s1 12552297 PTLWVLOIUXGSJY-UHFFFAOYSA-N 219.313 2.464 0 40 BEAB O=C(NCc1ccco1)c1cc(Cl)ccn1 12865030 DNLNMZQVSSBQNW-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1nccs1 12872730 DEDWOJGGNGNSBV-MRVPVSSYSA-N 208.286 2.438 0 40 BEAB COC(=O)c1c(-c2ccncc2)csc1N 12949942 VKXUCDRKQIJIRQ-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB CC(C)C(=O)Nc1ccc2c(c1)CCO2 12971220 NBIJYTMTRBXDDX-UHFFFAOYSA-N 205.257 2.216 0 40 BEAB C[C@@H](NCC(N)=O)c1ccc(Cl)cc1Cl 15447484 ISHPXUDOHITYNA-ZCFIWIBFSA-N 247.125 2.129 0 40 BEAB c1cncc(-c2nccc(CN3CCCC3)n2)c1 19341319 IBZLTULKNNORDM-UHFFFAOYSA-N 240.310 2.134 0 40 BEAB Cc1nn(C)cc1CNCc1cccc(F)c1 20349146 PMUFIBPZCQERNT-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB CCC(=O)N1C(=S)SC[C@H]1C(C)C 34455675 LUMSKZAOAHMEGE-ZETCQYMHSA-N 217.359 2.281 0 40 BEAB C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1 36076063 NFGHWLFVSIENOG-VIFPVBQESA-N 239.702 2.201 0 40 BEAB Cc1ccccc1CN(C)C1CCNCC1 36301463 DYKNNWZFYNBZCF-UHFFFAOYSA-N 218.344 2.179 0 40 BEAB c1ccc2c(c1)OCC[C@@H]2NC[C@@H]1CCOC1 37074391 MCVLEBKYOPWARN-AAEUAGOBSA-N 233.311 2.136 0 40 BEAB CNC(=O)c1ccc(C)c(NCC2CC2)c1 37086671 NDFWQDFEOVUWIG-UHFFFAOYSA-N 218.300 2.177 0 40 BEAB CC(C)NC(=O)CN[C@@H](C)C1CCCCC1 37262769 SHLMBVXOABEALY-NSHDSACASA-N 226.364 2.069 0 40 BEAB Cc1cc(CN(C)C(=O)c2ccoc2C)no1 40087873 NPHVROFHBMIORJ-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB CC(C)(C)c1ncc2c(n1)CCC[C@@H]2N 40449130 PTTJLUSUFFKNMR-VIFPVBQESA-N 205.305 2.110 0 40 BEAB CC(C)C(=O)NCCc1cccc(F)c1 40464845 UYIDDXWHWUHMNT-UHFFFAOYSA-N 209.264 2.140 0 40 BEAB CN(C(=O)c1cccnc1)C1CCCC1 40477549 CEFWYCZAJXFAOW-UHFFFAOYSA-N 204.273 2.096 0 40 BEAB Cc1ccc(CNC(=O)c2scnc2C)cn1 44954850 HXLIZUKXEZJRSC-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB O=C(Nc1cccnc1N1CCCC1)C1CC1 47225571 MSBVGYNAKLHWMN-UHFFFAOYSA-N 231.299 2.030 0 40 BEAB CNC(=O)Nc1nnc(C2CCCCC2)s1 47466903 NJJVJBMPMQNXIS-UHFFFAOYSA-N 240.332 2.337 0 40 BEAB CCOc1cc(CC[C@@H](C)O)ccc1O 62153405 URXXRBYISKXBBJ-SECBINFHSA-N 210.273 2.104 0 40 BEAB CC[C@H](C(=O)N1CCN[C@H](C)C1)c1ccccc1 67800412 MORJXNXBCOPEET-OCCSQVGLSA-N 246.354 2.001 0 40 BEAB O=C(Nc1ccc2c(c1)CNCC2)c1ccco1 69052573 JBBIPAMZBKHFOG-UHFFFAOYSA-N 242.278 2.178 0 40 BEAB CC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 69476399 HGJKZGGZDSJORL-VIFPVBQESA-N 227.304 2.223 0 40 BEAB in-vitro Cc1cc(C)n(Cc2nc(-c3ccoc3)no2)n1 76062568 XJZSQOMWLNAZPX-UHFFFAOYSA-N 244.254 2.191 0 40 BEAB CC[C@@H]1CN(Cc2cccnc2)CCS1 76071885 FNMYTTKYEITSCI-GFCCVEGCSA-N 222.357 2.409 0 40 BEAB CC[C@@H](C)[C@@](C)(O)CNc1ccccn1 79002728 OBFAPYFPDNKHGS-PWSUYJOCSA-N 208.305 2.291 0 40 BEAB CC(=O)CCC(=O)Nc1ccc(C)nc1C 87152355 RAISHUGJWFCJKD-UHFFFAOYSA-N 220.272 2.006 0 40 BEAB CC1(C)CCN1C(=O)c1c[nH]c2ncccc12 89919477 XOYFVHWJZLJIPO-UHFFFAOYSA-N 229.283 2.187 0 40 BEAB C[C@H](C[C@H](O)c1ccco1)NCc1ccncc1 95448826 MGKAQXSFFUXOMM-YPMHNXCESA-N 246.310 2.276 0 40 BEAB CC[C@H](C)OCC(=O)Nc1c(C)cccc1O 95995396 LRNXTEKPRMHCNJ-JTQLQIEISA-N 237.299 2.454 0 40 BEAB CCOCCSc1ncc2ccccn12 97602111 BVQFXJZXBSMQLF-UHFFFAOYSA-N 222.313 2.463 0 40 BEAB CN1CCc2c(Br)cccc2C1=O 107253894 AJKRPJAQUJYKER-UHFFFAOYSA-N 240.100 2.077 0 40 BEAB in-vitro C[C@H](CO)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 128768439 JUAGDNMRVSRYBP-PRULPYPASA-N 211.349 2.172 0 40 BEAB Cc1ccc(C(=O)O)c(C(F)(F)F)n1 149951736 YFWPDZNLFPGTCD-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB NCCc1cnc(-c2ccsc2)s1 218675874 IDNMYQIWGPAFGR-UHFFFAOYSA-N 210.327 2.373 0 40 BEAB Cc1cccc(N2CCN[C@@H]3CCC[C@H]32)c1 218843724 IRQBARHHMZTBRJ-ZIAGYGMSSA-N 216.328 2.326 0 40 BEAB CCc1cnn(-c2cccc(F)c2)c1N 220097669 UXIIQLFNCGSMOS-UHFFFAOYSA-N 205.236 2.156 0 40 BEAB CCCCN1N[C@](C)(c2ccccc2)NC1=S 225346084 JXGOIEPGFLDMBC-CYBMUJFWSA-N 249.383 2.354 0 40 BEAB N[C@@H](CC(=O)O)Cc1cccc(Cl)c1Cl 238637971 JAKDSGICVSSLBQ-SSDOTTSWSA-N 248.109 2.338 0 40 BEAB Brc1ncn(C2CCCC2)n1 238853770 KWKCEZTZWRAIAN-UHFFFAOYSA-N 216.082 2.156 0 40 BEAB N[C@H]1CC[C@H](Cc2ccc(C(=O)O)cc2)CC1 257292365 QLEKFUQIMPFWNB-AULYBMBSSA-N 233.311 2.445 0 40 BEAB O=Cc1c(F)cnc(Cl)c1Br 687828008 FOLCLNSBURVVQS-UHFFFAOYSA-N 238.443 2.449 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1ncccn1 735876950 SLAKJQJNBGOSGS-SNVBAGLBSA-N 239.278 2.068 0 40 BEAB CNC(=O)C(C)(C)c1cccc(Cl)c1 76562226 QAKBCNOIBUFDLI-UHFFFAOYSA-N 211.692 2.364 0 40 BEAB COc1ccc(N2N=C(C)CCC2=O)cc1 4683332 CDCYOWLSENGGOE-UHFFFAOYSA-N 218.256 2.198 0 40 BEAB Fc1ccc(C2=N[C@@H]3C=NN=C3S2)cc1 100012077 QDUPAIVPMOYYDI-MRVPVSSYSA-N 219.244 2.086 0 40 BEAB C[C@H]1[C@@H]2CCCN2CCN1Cc1cccs1 22078245 CHGSFJMZJTVQHP-AAEUAGOBSA-N 236.384 2.417 0 40 BEAB O=C(NC1CCCCC1)c1ccncc1 3163013 GFLMSUCMOKQXKT-UHFFFAOYSA-N 204.273 2.144 0 40 BEAB Cc1cc(C(=O)O)c(C)n1[C@H]1CN2CCC1CC2 12505741 KAHMWPLCHVMYEH-ZDUSSCGKSA-N 248.326 2.070 0 40 BEAB in-vitro Cc1ccc(Cl)cc1C[C@@H](C(=O)O)N(C)C 57533802 FHPYLBXGZZDKSQ-NSHDSACASA-N 241.718 2.206 0 40 BEAB CC(C)CC(=O)NCCCc1ccc(O)cc1 62139839 VXZGQHIRNYPRNY-UHFFFAOYSA-N 235.327 2.487 0 40 BEAB Cc1c(NCc2cccc(O)c2)cnn1C 20352769 RDQZJVDLYOBDBT-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB CC[C@@H](C)C(=O)Nc1cccnc1-n1cccn1 44912094 DKCIKLAUHJREHG-SNVBAGLBSA-N 244.298 2.252 0 40 BEAB O=C(O)[C@@H](Cc1cccnc1)c1ccccc1 11570614 WXBSTYAXJVFMOC-ZDUSSCGKSA-N 227.263 2.493 0 40 BEAB C[C@@]1(C(=O)O)CCCN(CCc2ccccc2)C1 62876651 YALCBCJHFQYEBE-OAHLLOKOSA-N 247.338 2.416 0 40 BEAB Cc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)[nH]n1 49047188 MUCKZXZPIOWOKL-RYUDHWBXSA-N 241.294 2.004 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@H]2[C@H](C)O)c1 62713988 XIQGGSRGDTUMQB-AQUOVQTQSA-N 222.284 2.188 0 40 BEAB CC(=O)c1ccccc1NCc1ccn(C)n1 95460356 OTKPOHHMSOFZRQ-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)/C=C/c1cscn1 95957237 QJCLSKHBCABABR-VUHVRTRXSA-N 236.340 2.413 0 40 BEAB Cc1ccnc(N2C[C@H]3CCC[C@@H]3C2)n1 89701908 ZOMOKNZEZLLUDF-GHMZBOCLSA-N 203.289 2.021 0 40 BEAB Clc1ccc(OCCn2ccnn2)cc1 128064041 BOLGMIJZOOMBHD-UHFFFAOYSA-N 223.663 2.011 0 40 BEAB COc1cccc(-c2c[nH]c([C@@H](C)N)n2)c1 32628203 NKVSKEXCSNQNSN-MRVPVSSYSA-N 217.272 2.105 0 40 BEAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1cccs1 72227338 DUYFRGRMBHXSQO-NWDGAFQWSA-N 244.319 2.163 0 40 BEAB C[C@@H]1CCCN(Cc2nnsc2Cl)C1 35164776 RVVQQMHOCJZWQS-SSDOTTSWSA-N 231.752 2.423 0 40 BEAB NC(=O)Nc1cc(Br)ccc1F 36752246 IESLJAHBCRVLTL-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB O=C(O)C1(Nc2nccs2)CCCCC1 41033017 JTFCJUCBDZBABP-UHFFFAOYSA-N 226.301 2.343 0 40 BEAB O=C(O)c1ccc(Cc2ccc3c(c2)OCO3)o1 84074912 IHPSNUVDRAHWHY-UHFFFAOYSA-N 246.218 2.297 0 40 BEAB C[C@H]1CNCC[C@]1(O)Cc1ccccc1Cl 229558864 XNNGSDYBPFDYAJ-GWCFXTLKSA-N 239.746 2.243 0 40 BEAB COc1ccc(-c2cnc[nH]2)c(OC)c1 41212581 ZSKPTAMUKOFFEH-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB c1ccc2[nH]c(SC[C@H]3CCCN3)nc2c1 43497145 ABFNBYRMMGELQD-SECBINFHSA-N 233.340 2.407 0 40 BEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Cl)cc1 229555955 SFOBGUYMDMJKQT-ZWNOBZJWSA-N 239.746 2.243 0 40 BEAB O[C@@H]1CCC[C@H]1c1ccc2c(c1)OCO2 95729409 PUKOQKVUTNUAPV-VHSXEESVSA-N 206.241 2.044 0 40 BEAB COc1cc(N)ccc1OC[C@H](O)C(C)(C)C 256051691 KEBJLOXIRPSOQH-LBPRGKRZSA-N 239.315 2.063 0 40 BEAB CCNCCSC(F)(F)C(F)(F)F 95918293 CMCCULLFDXEFKN-UHFFFAOYSA-N 223.210 2.484 0 40 BEAB CN(Cc1ccno1)[C@@H](CCO)c1ccccc1 72772812 ANSVMSRUTQCYFJ-AWEZNQCLSA-N 246.310 2.230 0 40 BEAB CC(C)CO[C@@H](Cc1ccccc1F)C(=O)O 220776386 HEVXXEPEWZGMHF-LBPRGKRZSA-N 240.274 2.494 0 40 BEAB Cc1cc(C)c2nc(C)cc(NN)c2c1 14807649 DUKYYDHVJCDVFZ-UHFFFAOYSA-N 201.273 2.446 0 40 BEAB in-vitro Cl/C(=C\C=[N+]1CCOCC1)c1ccccc1 5946146 MLTSATORCJGVDF-MLPAPPSSSA-N 236.722 2.380 0 40 BEAB Cc1ccccc1[C@@H]1CCCN1CC(=O)O 12397271 YJOFGVVIEBUPQN-LBPRGKRZSA-N 219.284 2.217 0 40 BEAB Cc1ccc(F)c(NC(=O)CCCC(=O)O)c1 12650014 GUZFIQDZDCZZSP-UHFFFAOYSA-N 239.246 2.328 0 40 BEAB CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2 19329906 XCFWIFQBZQRXRN-UHFFFAOYSA-N 243.354 2.128 0 40 BEAB biogenic C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)O1 19398954 AXOVDTKFYUKNAE-AOOOYVTPSA-N 240.734 2.344 0 40 BEAB CONC(=O)N(Cc1ccccc1)CC(F)F 166967220 RHVRGXIUDBBABW-UHFFFAOYSA-N 244.241 2.025 0 40 BEAB Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)[nH]n1 36302596 YPDCKLWJRLLTGR-UHFFFAOYSA-N 249.142 2.354 0 40 BEAB Cc1nc(N[C@@H]2CCSC2)c2cc[nH]c2n1 328613680 QNWXKCXQANBXIY-MRVPVSSYSA-N 234.328 2.184 0 40 BEAB COc1cc(C)c(C(=O)COC(C)=O)cc1C 575358144 LSICIIVRDQTFCJ-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB Cc1ccc(N=c2ccc(C#N)n[nH]2)cc1Cl 396990180 BWOAHALMPGBOBH-UHFFFAOYSA-N 244.685 2.476 0 40 BEAB OCCCN[C@@H]1CCCc2ccccc21 20188439 ACYROAKFDBXHES-CYBMUJFWSA-N 205.301 2.036 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 218093 KZLUGLBSRLDCHB-MWLCHTKSSA-N 246.310 2.027 0 40 BEAB CC(C)(C)NC1=NCCNC(c2ccccc2)=C1 1578513 GWYCOTJQPGWSMJ-UHFFFAOYSA-N 243.354 2.417 0 40 BEAB COc1cc2c(cc1O)CCCC[C@@H]2O 1765236 JOHVKKWWCVUTAR-JTQLQIEISA-N 208.257 2.161 0 40 BEAB COc1ccccc1C(=O)CCCC(=O)O 2243628 PXICOZHKAHFZSB-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB Cc1nccc2c(C)c3c(cc12)=NC1=CC=CCC=31 2556351 PHZODUFKVBJVJO-UHFFFAOYSA-N 246.313 2.479 0 40 BEAB Cc1cc(C)n(C(=O)c2ccccc2)n1 3061005 AHNLSPFBSUPXHJ-UHFFFAOYSA-N 200.241 2.188 0 40 BEAB biogenic Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 4291311 GVCUYVSDJYMDMA-IYSWYEEDSA-N 201.220 2.202 0 40 BEAB Nc1cccc(S(=O)(=O)Oc2ccccc2)c1 5421823 CHJVFEINHNDFKC-UHFFFAOYSA-N 249.291 2.037 0 40 BEAB O=c1[nH]cnc2sc(Nc3ccccc3)nc12 8581538 JHKAEYVEODNLJO-UHFFFAOYSA-N 244.279 2.123 0 40 BEAB COc1cc2nc(Cl)nc(O)c2cc1OC 11919366 DBOAGRILJPETJN-UHFFFAOYSA-N 240.646 2.006 0 40 BEAB CNC(=O)c1ccccc1C(=N)c1ccccc1 12417583 UUILITFHDJEQCR-UHFFFAOYSA-N 238.290 2.462 0 40 BEAB C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 12978816 IOQQRVCYVKASMZ-RISCZKNCSA-N 245.322 2.249 0 40 BEAB O=C(O)C[C@@H](NC(=O)C1CCC1)c1ccccc1 13224078 RDQVPBLHVFAFNT-GFCCVEGCSA-N 247.294 2.119 0 40 BEAB Nc1ccccc1CSc1ncccn1 19869669 HMCPUFGCOLMYBY-UHFFFAOYSA-N 217.297 2.351 0 40 BEAB in-vitro O=C(Nc1cccc(Cn2ccnc2)c1)C1CC1 30690083 TZDOHDZCSHPTSU-UHFFFAOYSA-N 241.294 2.280 0 40 BEAB COc1cccc2ccn(CC(=O)NC(C)C)c12 32124264 ZJBMWGPYKIRZEA-UHFFFAOYSA-N 246.310 2.175 0 40 BEAB biogenic CCOC(=O)Cc1c(F)ccc(F)c1F 34376317 PZHKLKSPMNFVMN-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB Clc1cc(Nc2cccnc2)ncn1 36294479 LWCNPZOVDCEEDG-UHFFFAOYSA-N 206.636 2.269 0 40 BEAB CC[C@H](C)C(=O)NCCc1ccc2c(c1)OCO2 36730046 FCLBELVJVJPIBP-JTQLQIEISA-N 249.310 2.120 0 40 BEAB COc1cccc2cc(CNCCC(=O)O)oc12 37252398 KPOHOTMOUIKEPD-UHFFFAOYSA-N 249.266 2.006 0 40 BEAB CCOC(=O)/C=C/c1cc(OC)ccc1OC 38879770 XIEVTAMMUAMFIQ-VMPITWQZSA-N 236.267 2.280 0 40 BEAB CCN(CCN)Cc1ccccc1Cl 39318903 CTJGJTKQOVVAKU-UHFFFAOYSA-N 212.724 2.121 0 40 BEAB O=C(Nc1ccc2nc[nH]c2c1)c1ccccn1 40288113 LSWAAPNFPGQRRL-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB O=C(CC(F)(F)F)NCc1cccc(F)c1 40498868 DSKOKVKFSAPVPL-UHFFFAOYSA-N 235.180 2.394 0 40 BEAB Cc1cccc(OC[C@@H]2CCNC2)c1C 42772525 RMNREPZXICDJFX-GFCCVEGCSA-N 205.301 2.292 0 40 BEAB CC(=O)c1ccccc1OC[C@@H]1CCCNC1 42775758 BZLBMSIPUMHNEQ-GFCCVEGCSA-N 233.311 2.268 0 40 BEAB in-vitro COCCc1scnc1C(F)(F)F 43464420 PXRIGXXOCNSZJP-UHFFFAOYSA-N 211.208 2.351 0 40 BEAB Cc1ccc2c(OCC(=O)O)ccnc2c1C 45928597 HXMYNFBWBOEAOY-UHFFFAOYSA-N 231.251 2.315 0 40 BEAB Nc1cc(F)c(OCC2CCOCC2)c(F)c1 52146355 DCUVDVHVCQDNRH-UHFFFAOYSA-N 243.253 2.352 0 40 BEAB Cc1ccc(CC(=O)N2CCOCC2(C)C)cc1 58296975 YHWKJWGPKXQLET-UHFFFAOYSA-N 247.338 2.175 0 40 BEAB CC(C)OCC(=O)NCc1cc2ccccc2[nH]1 58903907 SIYQKYIXKHMQDS-UHFFFAOYSA-N 246.310 2.209 0 40 BEAB NCc1nc2cc(Cl)c(Cl)cc2[nH]1 62152747 ROLMMAUMZSFHNM-UHFFFAOYSA-N 216.071 2.328 0 40 BEAB CC(C)NC(=O)Cn1ccc(-c2cccs2)n1 65595459 BISYUYKQENNJKU-UHFFFAOYSA-N 249.339 2.136 0 40 BEAB C[C@@H]([C@@H](C)NCc1ccncc1)n1cccn1 69372741 CSIALOJBZURQKV-NEPJUHHUSA-N 230.315 2.017 0 40 BEAB OC[C@H](c1cccc(F)c1)N1CCCCC1 70453020 HBIZCOPXWWWKMB-CYBMUJFWSA-N 223.291 2.345 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCC(=O)CC1 83324181 RNYJEXKDUIEGRX-VIFPVBQESA-N 227.304 2.413 0 40 BEAB Cc1cc2nccc(C(=O)O)c2cc1F 85400001 BSKCFHLIAGEPHO-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB O=C(c1[nH]nc(C2CC2)c1Cl)N1CCCC1 89819057 YAWDSRIQXBKCOC-UHFFFAOYSA-N 239.706 2.177 0 40 BEAB COCCCNc1ncccc1OC(F)F 95467671 AFRIINCKGMQNQY-UHFFFAOYSA-N 232.230 2.131 0 40 BEAB Cc1cc(COC(=O)[C@H]2C[C@H]2c2ccco2)on1 95956282 WMTUWMBEHGCGAV-MNOVXSKESA-N 247.250 2.423 0 40 BEAB CC[C@H](C)S(=O)(=O)Nc1ccc(C)c(O)c1 96471807 XRIYJGUNXBXSEA-VIFPVBQESA-N 243.328 2.241 0 40 BEAB CCN(C(=O)Cn1ccc(C)n1)c1ccccc1 133958779 TWXARUNRMKFVLT-UHFFFAOYSA-N 243.310 2.245 0 40 BEAB CCCC(=O)c1c(O)cc(CCC)oc1=O 199801174 BUBOFHGDORBTTP-UHFFFAOYSA-N 224.256 2.281 0 40 BEAB CCCNC(=O)c1ccc2c(c1)nc(CC)n2C 225895695 ZMAVEURYDAIUNZ-UHFFFAOYSA-N 245.326 2.276 0 40 BEAB O=C(NCC1CC1)c1ccnc(OCC2CC2)c1 240002236 PPUBDTAYCWSSAZ-UHFFFAOYSA-N 246.310 2.010 0 40 BEAB CCCn1cc(CNc2cc(C)nn2CC)cn1 256051423 JCUROYIOOGGYOD-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCOC(=O)C[C@@H](NC(C)(C)C)C(F)(F)F 256052373 NBEHVGCURVAOBF-SSDOTTSWSA-N 241.253 2.259 0 40 BEAB Cc1nn(CCF)cc1NCc1cccn1C 256054406 WDMNYMGIWWHHLS-UHFFFAOYSA-N 236.294 2.112 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCCN1C1CCOCC1 257290009 QBCOVGMWZUCPCX-CYBMUJFWSA-N 249.358 2.424 0 40 BEAB CCCc1c(N)c(C(C)=O)cc(C(C)=O)c1O 157857 KAOVWCZQHGBCJL-UHFFFAOYSA-N 235.283 2.332 0 40 BEAB CC(C)N1C(=O)CCNc2ccccc21 1065870 TWWLFYAAYUBUTQ-UHFFFAOYSA-N 204.273 2.244 0 40 BEAB O=C(O)/C=C/c1cc(Br)co1 2504898 CNEGNTQKXWMRMC-OWOJBTEDSA-N 217.018 2.140 0 40 BEAB CCn1c(-n2nc(C)cc2N)nc2ccccc21 4864865 KHZKCPJPKSRVGM-UHFFFAOYSA-N 241.298 2.133 0 40 BEAB CCCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 5184006 MATZDROSSDSBLG-UHFFFAOYSA-N 248.326 2.158 0 40 BEAB CCOC(=O)N[C@@H]1CCc2ccccc2C1 5395524 CWZBTFUMGMDOGT-GFCCVEGCSA-N 219.284 2.290 0 40 BEAB Cc1ccc2c(c1)c1ncnc(N(C)C)c1n2C 5516202 MFHZNQXPSBCVSE-UHFFFAOYSA-N 240.310 2.496 0 40 BEAB CCNC(=S)NCCc1ccc(Cl)cc1 6639895 FCIQOJFQSWPBRR-UHFFFAOYSA-N 242.775 2.367 0 40 BEAB Cc1cc2c(C)n[nH]c2c(C(=O)O)c1C 8652828 LDVTWCHYRKMRQT-UHFFFAOYSA-N 204.229 2.186 0 40 BEAB Cc1ccc([C@@H]2NC(=O)c3ccccc3N2C)o1 8710427 QUNLJEPDJILOGT-CYBMUJFWSA-N 242.278 2.466 0 40 BEAB CC(C)[C@H](N)c1nnc(-c2ccccc2)o1 11586350 UPKISGPBRVKPBU-JTQLQIEISA-N 217.272 2.392 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1F 12916145 RQAABULGQRVVDE-MWLCHTKSSA-N 221.275 2.406 0 40 BEAB COc1ccc(OC[C@@H]2CCCCN2)cc1 14632441 SVSNHJLZMKFEPB-NSHDSACASA-N 221.300 2.216 0 40 BEAB CC(C)=CC/C=C1\CC[C@H]2C(=O)NC(=O)[C@@H]2C1 18192105 XPGHNXMVHVOVHW-VDUSXYPOSA-N 233.311 2.342 0 40 BEAB Nc1cccc(OCc2cn3ccccc3n2)c1 19407190 FQVPTCFDLRKULA-UHFFFAOYSA-N 239.278 2.496 0 40 BEAB in-vitro COCCN[C@H]1CCCc2ccccc21 19881796 WTYQEXQUYIQNBQ-ZDUSSCGKSA-N 205.301 2.300 0 40 BEAB CCCCOC(=O)Cc1cccc(N)c1 20154984 SMDHBEKXYAYLIS-UHFFFAOYSA-N 207.273 2.155 0 40 BEAB CCN(CC)Cc1ccc(C(=O)OC)cc1 20307179 WDNJENVQGOKGDM-UHFFFAOYSA-N 221.300 2.315 0 40 BEAB in-vitro Cc1ccccc1C1(CN)CCOCC1 20440771 UCUIYAITKWWGFN-UHFFFAOYSA-N 205.301 2.002 0 40 BEAB in-vitro Nc1ccc2c(c1)C(=O)c1cccc(N)c1-2 26506068 KMJYIRRKRBTICH-UHFFFAOYSA-N 210.236 2.062 0 40 BEAB C[C@@H](c1ccc(F)cc1)N1CCC(N)CC1 26514875 PAUUNFCYVMQSCI-JTQLQIEISA-N 222.307 2.310 0 40 BEAB CCCCNc1nnc(SC)s1 32910552 LTBRCKVANHDLQP-UHFFFAOYSA-N 203.336 2.472 0 40 BEAB CC[C@@H](NC(C)=O)c1ccc(OC)cc1 34451694 DDGIFDZDCCOYQM-GFCCVEGCSA-N 207.273 2.282 0 40 BEAB Cc1ccc(C(=O)NCCCOC(C)C)o1 36396229 CEYUQSZMTGBLKW-UHFFFAOYSA-N 225.288 2.133 0 40 BEAB Cc1ccccc1-n1cc(C(=O)O)c(C)n1 36804851 HRISEPKBUSIBLP-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB O=C(O)C(CCCCc1ccccc1)C(=O)O 38284516 AOLLKFZZINSFPC-UHFFFAOYSA-N 236.267 2.185 0 40 BEAB C1CC[C@H](c2noc(C3CCC3)n2)NC1 40443510 DSEVMBDJOHDLBY-SECBINFHSA-N 207.277 2.152 0 40 BEAB CCOC(=O)C(=O)c1ccc(Cl)c(OC)c1 43504301 LDZDGWXXOATHOA-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CC(=O)c1cc(C(=O)N2CCCCCC2)n(C)c1 53574101 CZDKGTITIKLMKJ-UHFFFAOYSA-N 248.326 2.244 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCCN1CCCCCC1 57288880 JHKGLUMAXBHWOZ-CHWSQXEVSA-N 238.375 2.025 0 40 BEAB NC[C@@]1(CO)C[C@@H]1c1ccccc1C(F)(F)F 62713605 GFGAEVYBDILOJL-GHMZBOCLSA-N 245.244 2.130 0 40 BEAB NC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1 70461528 DDMLXAXZPPREPB-UHFFFAOYSA-N 237.262 2.329 0 40 BEAB COC[C@H](C)OC(=O)c1sccc1C 71905097 LVHHKBCFYREXHH-QMMMGPOBSA-N 214.286 2.248 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](c2cc[nH]n2)C1 72187624 ANRCWAUUNYCYJA-VXGBXAGGSA-N 245.326 2.082 0 40 BEAB CC(C)[C@@H]1CC(=O)N1C(=O)OC(C)(C)C 72481899 GHJDWXKOEPOVGM-QMMMGPOBSA-N 213.277 2.178 0 40 BEAB CC(C)C[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 73189958 GKMSKOKQHRLOJO-STQMWFEESA-N 249.358 2.339 0 40 BEAB O=C(/C=C/c1ccccc1)Nc1cnoc1 75170806 HCZVAIAXOLIRRN-VOTSOKGWSA-N 214.224 2.327 0 40 BEAB CCOC(=O)c1ccc2cc(C(=O)OC)[nH]c2c1 75629627 PJDRUAFSHPNLND-UHFFFAOYSA-N 247.250 2.131 0 40 BEAB COc1ccc(CO)c(C(F)(F)F)c1OC 82048922 QQEVWZMTFIRWPZ-UHFFFAOYSA-N 236.189 2.215 0 40 BEAB in-vitro CC[C@H](C(=O)N[C@H](CC)CCO)c1ccccc1 84733317 QPVWTYMPZPFXNL-KGLIPLIRSA-N 249.354 2.457 0 40 BEAB CCS(=O)(=O)c1ccc(CN)c2ccccc12 85390952 GFLGPRNCNAKECJ-UHFFFAOYSA-N 249.335 2.092 0 40 BEAB Fc1cc(F)cc(OCCC2OCCCO2)c1 89064037 WHMFJIDMUSYAHL-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB c1cc(CN2CCOC3(CCCC3)C2)ccn1 89884955 QZNJOXOWYPPUJG-UHFFFAOYSA-N 232.327 2.227 0 40 BEAB CCCN(CCCNC(C)=O)Cc1ccccc1 89958891 HWRHUWOGZXNPLG-UHFFFAOYSA-N 248.370 2.425 0 40 BEAB C[C@@H]1CC(C(=O)NCc2ccco2)C[C@@H](C)O1 93899921 DFVGVVYPUZSASE-NXEZZACHSA-N 237.299 2.099 0 40 BEAB O=Cc1cccn(Cc2ccccc2Cl)c1=O 95098132 FIEHMZDRBQRFQV-UHFFFAOYSA-N 247.681 2.363 0 40 BEAB COc1cc(Cl)cc2c(CC(=O)O)noc12 96516587 HROBYNJZIVKJRV-UHFFFAOYSA-N 241.630 2.117 0 40 BEAB N[C@@H]1CCN(CCCCc2ccccc2)C1 96523508 QDCDHPAYFIOVID-CQSZACIVSA-N 218.344 2.042 0 40 BEAB Cc1ccc(N/C=C2\SC(=O)NC2=O)cc1 101279322 QTTDQWQBZKGYDD-TWGQIWQCSA-N 234.280 2.231 0 40 BEAB COc1ccc(-n2nc3c(c2O)CCCC3)cc1 101817206 XTNOEBAWWISFFH-UHFFFAOYSA-N 244.294 2.465 0 40 BEAB COCC(=O)NCCCc1ccccc1Cl 107188139 MOYCPMQCAJSDNQ-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB Cc1cc(Cl)nc(CO)c1Br 144641868 PXLTWJQATINGOW-UHFFFAOYSA-N 236.496 2.298 0 40 BEAB Nc1cccc(OCCOc2cccc(N)c2)c1 147773545 SKIIDUXQRNDYNZ-UHFFFAOYSA-N 244.294 2.309 0 40 BEAB OCC1(O)CCC(Cc2ccccc2)CC1 199784651 TYBPLIYQJOGDQO-UHFFFAOYSA-N 220.312 2.143 0 40 BEAB Cc1ccc(OCc2nnc(N)o2)c(Cl)c1 216907782 PAIBPOXEJGFJBR-UHFFFAOYSA-N 239.662 2.193 0 40 BEAB OCc1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 225604410 OVVBWEHDEHIPHK-ZJUUUORDSA-N 226.279 2.487 0 40 BEAB C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](N)[C@H]2[C@H]1C 242463393 CZVKMVVAGFXBBQ-ZPASOGBRSA-N 237.265 2.326 0 40 BEAB CC[C@](C)(C(=O)OC)N1CCCC[C@H]1C 248210258 CTPRENUGVAXXEO-ZYHUDNBSSA-N 213.321 2.203 0 40 BEAB O=C(Nc1cccnc1)N1CCC(F)(F)CC1 794755021 JRRMPXSBWSMAIU-UHFFFAOYSA-N 241.241 2.345 0 40 BEAB COC(=O)[C@H]1CCC[C@@H](OC(F)(F)F)C1 953033812 ONELURHMQSHRTE-NKWVEPMBSA-N 226.194 2.255 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](CO)C[C@H]21 953119706 DJGRWWPSKGQVAE-GMTAPVOTSA-N 241.331 2.014 0 40 BEAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)O)cc1 100897 QQEJGGHVHJKUSE-SNVBAGLBSA-N 235.283 2.434 0 40 BEAB O=C(O)CNc1cccc(C(F)(F)F)c1 126639 JUXDXJXSMIGCPK-UHFFFAOYSA-N 219.162 2.202 0 40 BEAB CC1(C)O[C@H]1C(=O)c1coc2ccc(O)cc12 163766 DQRBAQAWVBMNKP-LBPRGKRZSA-N 232.235 2.499 0 40 BEAB CCCOC(=O)CC1(O)CCCCC1 1688029 WFPYXHWJOWNXGG-UHFFFAOYSA-N 200.278 2.025 0 40 BEAB OC[C@H](c1ccccc1)[C@H](O)Cc1ccccc1 1703746 HVZQCETZYHCKCP-HZPDHXFCSA-N 242.318 2.366 0 40 BEAB c1cncc(-c2nnc(-c3cccnc3)o2)c1 1720534 DTUMGCJGZSNWCF-UHFFFAOYSA-N 224.223 2.194 0 40 BEAB COC(=O)[C@H](C)Nc1c(C)cccc1C 3172333 NEOYGRJJOGVQPO-JTQLQIEISA-N 207.273 2.277 0 40 BEAB biogenic,in-vitro C[C@H]1C[C@](O)(Cc2ccccc2)[C@H](C)CN1C 4128447 YSGPBYGQFUGPJJ-IPYPFGDCSA-N 233.355 2.320 0 40 BEAB C1CC[C@H]2C[C@@H](NC3=NCCO3)CC[C@@H]2C1 5046320 GEUSRXMGTZSERI-SRVKXCTJSA-N 222.332 2.321 0 40 BEAB O=c1cc(O)c(-c2ccccc2)c(Cl)[nH]1 15923765 PFWBRJPOTPBWJC-UHFFFAOYSA-N 221.643 2.401 0 40 BEAB O=c1[nH]c(=S)[nH]cc1Cc1ccccc1 17353425 IQONBPISLRWNJP-UHFFFAOYSA-N 218.281 2.023 0 40 BEAB CCNCc1ccc(OCCOCC)cc1 19738117 BGMUVOKVJHDCLS-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB COCCCNCc1ccc(F)cc1F 20142114 SOIRQIICMZUAJS-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB NC[C@@H](c1ccco1)N1CCc2ccccc2C1 20225231 NHSIPJWBPBZHNW-AWEZNQCLSA-N 242.322 2.338 0 40 BEAB CCn1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 28575799 GKPYVWKXWHEVNN-QWRGUYRKSA-N 235.331 2.021 0 40 BEAB Cc1cc(C)c(N)c(I)c1 34213067 ODPOIEACUVQCBZ-UHFFFAOYSA-N 247.079 2.490 0 40 BEAB CC1(C)COCCN1C(=O)Nc1ccccc1 36102037 FTIJCLVADQOLOJ-UHFFFAOYSA-N 234.299 2.329 0 40 BEAB COc1ccc(NC(=O)CNCC2CCC2)cc1 37180648 NVOACFKLAKVKJI-UHFFFAOYSA-N 248.326 2.023 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1COCc1ccccc1 38327641 WPTIXUDEALSQOF-OLZOCXBDSA-N 234.295 2.402 0 40 BEAB O=C(O)c1c[nH]c2nccc(C(F)(F)F)c12 44700133 QMWGGTKYEPMYDB-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB Fc1cc(-n2cnnc2)ccc1N1CCCCC1 45958339 HEXFNANXWNHARZ-UHFFFAOYSA-N 246.289 2.397 0 40 BEAB CC(C)CNC[C@H](C)C(=O)OC(C)(C)C 47219025 YSMXRFSECCIZNS-JTQLQIEISA-N 215.337 2.210 0 40 BEAB O=C(NCCc1ccccn1)N1CCCCCC1 48729345 NBYHQZNBZJLYQP-UHFFFAOYSA-N 247.342 2.210 0 40 BEAB NC[C@@H]1CCCN(Cc2ccccc2)CC1 57340746 BQCVOJASHGIHDU-CYBMUJFWSA-N 218.344 2.247 0 40 BEAB CNC(=O)CSC12CC3CC(CC(C3)C1)C2 58343898 HGHPLFNBIMKFQO-UHFFFAOYSA-N 239.384 2.434 0 40 BEAB N[C@@]1(C(=O)O)C[C@H]1c1cc(Cl)cc(Cl)c1 62713264 MFCGDMLSOLLLNU-WPRPVWTQSA-N 246.093 2.263 0 40 BEAB Fc1cccc(Cl)c1CNC1CCNCC1 67802675 WALGHMVURHKQOH-UHFFFAOYSA-N 242.725 2.321 0 40 BEAB C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1 68692365 BVFGCQJZABXITQ-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB CC[C@H]1CN(CCc2ccccn2)CCS1 76073848 PZZBAFVBRNPDBW-ZDUSSCGKSA-N 236.384 2.452 0 40 BEAB O=C(O[C@H]1CCSC1)c1cccnc1Cl 76090176 JVUWNSOSYOKPSI-ZETCQYMHSA-N 243.715 2.397 0 40 BEAB NCc1cnn(-c2ccccc2)c1C(F)(F)F 82661538 RLACYCYSPSAJTJ-UHFFFAOYSA-N 241.216 2.350 0 40 BEAB in-vitro COC(=O)Cc1ccc2nccc(C)c2c1 82777230 SRMAUXLYCXSUOK-UHFFFAOYSA-N 215.252 2.259 0 40 BEAB COC(=O)c1c(Br)ccc(N)c1C 89157204 RQAHVOLDFUBDMB-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB CC(C)(C)c1cc(C(=O)N2CCCC2)no1 89694716 SXUHQJJFDJXOPA-UHFFFAOYSA-N 222.288 2.208 0 40 BEAB CC(C)(C)n1cc(C(=O)N2CC=CCC2)cn1 95466189 SMSSXRVHZXCUDA-UHFFFAOYSA-N 233.315 2.040 0 40 BEAB OCC[C@H](NCC1CCC1)c1ccccc1 95984414 CNXZGQMSROYAQB-AWEZNQCLSA-N 219.328 2.500 0 40 BEAB CC(=O)NCCCSCc1ncccc1C 96494687 BVOVCMXFYMQYER-UHFFFAOYSA-N 238.356 2.149 0 40 BEAB COc1ccc([C@H](C)O[C@@H]2CCNC2)cc1 96529874 LZEIWEBVEJSGNL-GXFFZTMASA-N 221.300 2.135 0 40 BEAB C[C@@H]1OCC[C@H]1[S@@](=O)Cc1ccccc1F 97021110 VKJNRBMNTUBNED-PXTQAZKISA-N 242.315 2.252 0 40 BEAB CCOC(=O)[C@@H]1CS[C@@H](c2ccsc2)N1 98072892 LRDCRUIGTYLONY-IUCAKERBSA-N 243.353 2.015 0 40 BEAB O=C1Nc2ccccc2/C1=C1\CCCCN1 101139260 LAQZBFNGNBSGED-QXMHVHEDSA-N 214.268 2.123 0 40 BEAB COc1ccccc1N1CCN[C@H]2CCC[C@@H]21 225716499 MRRFDVJNTZLNCG-RYUDHWBXSA-N 232.327 2.026 0 40 BEAB C[C@@H](O)c1ccc(NC(=O)C(F)(F)F)cc1 226272674 TXDLKSOTCXULJI-ZCFIWIBFSA-N 233.189 2.241 0 40 BEAB COC1(c2ccc(Br)cc2)COC1 258803331 WYSLNMIJAZJSNT-UHFFFAOYSA-N 243.100 2.321 0 40 BEAB Cc1ncn(Cc2cccnc2C(F)(F)F)n1 530169039 FDOGYBXQJMYJRC-UHFFFAOYSA-N 242.204 2.049 0 40 BEAB CNc1cc(F)cc(Br)c1N 1535645768 KPTPEMIBVRQYTN-UHFFFAOYSA-N 219.057 2.212 0 40 BEAB CN(C)/C=C(/C(=S)N(C)C)c1ccccc1 1385221 OJPZQPKBYKIGJT-ZRDIBKRKSA-N 234.368 2.478 0 40 BEAB COc1cccc(CCNc2ccncc2N)c1 1718089 KYWMQIRZKXVYOY-UHFFFAOYSA-N 243.310 2.327 0 40 BEAB Nc1c(Cl)c(F)cc(C(=O)O)c1Cl 2540119 UUWRGHXQVQUWHR-UHFFFAOYSA-N 224.018 2.413 0 40 BEAB in-vitro COCCNC(=S)Nc1ccc(C)c(C)c1 3285719 HKKXTRRFRZAYFW-UHFFFAOYSA-N 238.356 2.236 0 40 BEAB COc1ccc(N2C(=O)N=NC2=O)cc1 4268428 LCKXDICALFGJBI-UHFFFAOYSA-N 205.173 2.207 0 40 BEAB C1=Nn2cnnc2SC(c2ccccc2)=C1 4689386 HZUICHZGSSJIKR-UHFFFAOYSA-N 228.280 2.259 0 40 BEAB O[C@@H]1C=C(Br)C2CCC1CC2 5046240 HSCPMSCIFKVODO-QXUHLLMWSA-N 217.106 2.446 0 40 BEAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCCC1 8142249 IEVDVJOATOZZCW-JTQLQIEISA-N 236.290 2.249 0 40 BEAB O=C(Nc1nccs1)[C@H]1CC=CCC1 8428899 BQFZGTDKJXHBIO-QMMMGPOBSA-N 208.286 2.438 0 40 BEAB CC(C)NC(=S)N1CCCCCC1 13827822 UMCSOSYTSQEMIN-UHFFFAOYSA-N 200.351 2.145 0 40 BEAB CC(=O)n1nc(Cl)c2nc3ccccc3nc21 16322074 OALBCISABBQZQN-UHFFFAOYSA-N 246.657 2.293 0 40 BEAB C[C@H]1CC[C@@H](n2cnc3c(=S)[nH]cnc32)O1 17325233 NJBZWOFTQWSFOI-BQBZGAKWSA-N 236.300 2.186 0 40 BEAB Cc1cc(C)c2c(=O)[nH]c(=S)[nH]c2c1 19872629 CJCUQSYYGMKWPZ-UHFFFAOYSA-N 206.270 2.203 0 40 BEAB CC[C@@H](CO)NCc1ccc(Cl)s1 20195907 QEXGIMJUMVMYGE-ZETCQYMHSA-N 219.737 2.262 0 40 BEAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)C)c1 20451902 DZSQGYIKNAWJRY-LBPRGKRZSA-N 235.327 2.467 0 40 BEAB c1ccc2c(c1)CC(NCc1ccncc1)C2 23282441 YTYLDLIDPWCNEL-UHFFFAOYSA-N 224.307 2.339 0 40 BEAB COCc1cccc(NC(=O)c2ccccn2)c1 29144017 PIGBDJBXBVKEEM-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB Cc1nc2ccc(Cl)cc2cc1C(N)=O 32865796 BIBSOMAPDHUIFF-UHFFFAOYSA-N 220.659 2.296 0 40 BEAB O=C1NCc2cc(Cl)c(Cl)cc21 34204418 FRFBLJXZQAZZKZ-UHFFFAOYSA-N 202.040 2.237 0 40 BEAB in-vitro CC(C)(C)NC(=O)/C=C/c1cccnc1 36398012 AQVNATJTIUQCDP-VOTSOKGWSA-N 204.273 2.010 0 40 BEAB CN(Cc1ccccn1)C(=O)c1ccccc1O 36778418 PMBPMYHFBTZTBB-UHFFFAOYSA-N 242.278 2.059 0 40 BEAB C[C@@H](N[C@H](C)C1CC1)c1nnc2ccccn12 36969081 HKLDDVPYJQNPNY-NXEZZACHSA-N 230.315 2.178 0 40 BEAB CN(C(=O)c1cnccn1)C1CCCCCC1 40477556 WARDTEKLWFUDKJ-UHFFFAOYSA-N 233.315 2.271 0 40 BEAB O=C(O)c1ccc(SC(F)(F)F)nc1 41669114 ARPAZVQRHOXDES-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB O=C(NCC1CC1)c1ccc(F)cc1F 42652429 GOLZYFKZHCNUIK-UHFFFAOYSA-N 211.211 2.105 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)Nc2nncs2)C1 43127798 BMKWCXUXPXKODD-SFYZADRCSA-N 240.332 2.238 0 40 BEAB CN(C)C(=O)Cc1ccc2c(c1)CCCC2 45288674 ATLHQYBWLDZXBF-UHFFFAOYSA-N 217.312 2.196 0 40 BEAB CC[C@@H]1CCCN(Cc2nnc(C)o2)C1 48058566 FOOTUNFYTDVXMD-SNVBAGLBSA-N 209.293 2.000 0 40 BEAB O=C(NO[C@H]1CCCCO1)c1ccc(F)cc1 58330488 RRPYJEFYXYUWSC-NSHDSACASA-N 239.246 2.014 0 40 BEAB NCC1CCN(CCc2ccccc2F)CC1 59600425 RXBWRPFSJNZYAY-UHFFFAOYSA-N 236.334 2.039 0 40 BEAB O=c1[nH]ccc2ccn(Cc3ccccc3)c12 62151957 TYUSQBYDXATKFI-UHFFFAOYSA-N 224.263 2.378 0 40 BEAB in-vitro O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc[nH]1 67858889 VBZGPUQHIIQSRV-DGCLKSJQSA-N 226.279 2.301 0 40 BEAB Cc1ccc(CN(C)c2ncccn2)o1 67949139 XNHWEPFHZUHNFY-UHFFFAOYSA-N 203.245 2.014 0 40 BEAB Cn1cc([C@@H]2CCCN2C[C@@H]2CCCCO2)cn1 69655534 SRKTXZMNRGLNPO-KBPBESRZSA-N 249.358 2.126 0 40 BEAB CN(C)C(=O)C[C@@H]1CNc2ccc(Cl)cc21 71372286 PTXOWJMPCITEGY-MRVPVSSYSA-N 238.718 2.327 0 40 BEAB in-vitro N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1 72227339 DUYFRGRMBHXSQO-RYUDHWBXSA-N 244.319 2.163 0 40 BEAB Cc1nc2cc(C(=O)NC(C)C)ccc2n1C 74957275 OVQBFOAPAZFSMF-UHFFFAOYSA-N 231.299 2.020 0 40 BEAB CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 80585715 RKWAVFIDUBBHCR-AAEUAGOBSA-N 232.327 2.451 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCOC1 82337164 LNAGLHNDIUPFLM-WCQYABFASA-N 245.322 2.391 0 40 BEAB CON[C@@H]1CCCOc2cc(C)ccc21 85345036 PQHLINNQIXBKHT-LLVKDONJSA-N 207.273 2.360 0 40 BEAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCC1 89927769 MKYQDKMNUFRQNX-RYUDHWBXSA-N 225.332 2.204 0 40 BEAB C[C@@H](CCn1cncn1)N[C@H](C)c1ccco1 95419476 UGGJFTJDZVOQAP-WDEREUQCSA-N 234.303 2.001 0 40 BEAB CN(C)c1ccc(CNCC2CCCC2)cn1 95439956 YZYCQSVRETWBRD-UHFFFAOYSA-N 233.359 2.427 0 40 BEAB Cc1occc1-c1nc([C@@H](N)C(C)C)n[nH]1 95534727 HUDZIHOBHVNLIH-VIFPVBQESA-N 220.276 2.029 0 40 BEAB Fc1cccc2c1CC[C@@]21CCCNC1 95635321 OASOAUKDUNYFHD-CYBMUJFWSA-N 205.276 2.393 0 40 BEAB in-vitro CCCc1cnc(NC(=O)c2cc[nH]n2)s1 96494108 PAGFGFADCPQGRI-UHFFFAOYSA-N 236.300 2.071 0 40 BEAB COC[C@H](C)Nc1ccc(C)c(C(=O)OC)c1 97095699 DTYFLGWYLXEYTA-JTQLQIEISA-N 237.299 2.228 0 40 BEAB O[C@H]1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1C2 100742986 LGLZRUQGFUJOOH-WJTVCTBASA-N 210.317 2.089 0 40 BEAB biogenic COc1cccc([C@@H]2OC(=N)C(O)=C2O)c1 104239695 FNWSVBFALOWODN-JTQLQIEISA-N 221.212 2.071 0 40 BEAB O[C@@H](CCl)C/N=C/c1ccc(Cl)cc1 118503326 LFVZLCKHDSVJFP-FYTLYHSASA-N 232.110 2.359 0 40 BEAB O=C(Cc1cccnc1)c1ccc(O)cc1 142422305 BHXYNUQTMVOZKO-UHFFFAOYSA-N 213.236 2.213 0 40 BEAB C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O 144049217 CBZNOKAFOMSSLW-GUBZILKMSA-N 229.320 2.061 0 40 BEAB COc1cc(Br)c(CN)cc1F 169800870 MWESMYXRFXRZBD-UHFFFAOYSA-N 234.068 2.056 0 40 BEAB CN(N)c1cccc(C(Cl)(Cl)Cl)n1 199546475 OQYWYCVJGNZYRA-UHFFFAOYSA-N 240.521 2.218 0 40 BEAB C[C@@H](CO)[C@H]1CCCN1C(=O)OC(C)(C)C 214630827 CZGGVYDUTBZKDK-VHSXEESVSA-N 229.320 2.014 0 40 BEAB CC(=O)OCc1nccc(Br)c1C 238174429 NUUQTSDELIWSLM-UHFFFAOYSA-N 244.088 2.216 0 40 BEAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1O2 252584776 CVDQDQYMGSDCEG-ARFNZGECSA-N 249.354 2.106 0 40 BEAB O[C@@H]1CC[C@H]1Nc1cccc(C(F)(F)F)n1 335605684 XSVVXFORXOYZSB-RNFRBKRXSA-N 232.205 2.036 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1C[Si](C)(C)CC1=O 584905875 SHOIWRAINOYTDW-MRVPVSSYSA-N 243.379 2.171 0 40 BEAB CN1C[C@@H](N)[C@H](c2ccccc2C(F)(F)F)C1 725409222 WKPYUKGDCNTYKE-GXSJLCMTSA-N 244.260 2.062 0 40 BEAB Cc1cc(N2CC(C(F)(F)F)C2)nnc1C 1888843697 USESXZPXUMWGCM-UHFFFAOYSA-N 231.221 2.092 0 40 BEAB C[C@H]1CCc2c(sc3ncnc(N)c23)C1 129168 OHTRNARYCIBLLU-LURJTMIESA-N 219.313 2.398 0 40 BEAB CC(=O)Nc1cc2[nH]c(=O)cc(C)c2cc1C 200483 PXDMRVPCJPVUKD-UHFFFAOYSA-N 230.267 2.103 0 40 BEAB biogenic Cc1cn2c3ccccc3n(CCN(C)C)c2n1 241487 HEZDNQYRYBZIDJ-UHFFFAOYSA-N 242.326 2.159 0 40 BEAB CCN(CC)CCOc1cccc(O)c1 1610588 DRTBGERKLNMWOR-UHFFFAOYSA-N 209.289 2.113 0 40 BEAB CNC(=O)c1ccc2cc(OC)c(OC)cc2c1 1722925 SOZXQLHIUYJGJI-UHFFFAOYSA-N 245.278 2.217 0 40 BEAB CCCC[C@H](CC)CNC(=O)C[C@H](C)O 2019928 WTBQLHRVRKXSPX-QWRGUYRKSA-N 215.337 2.090 0 40 BEAB in-man CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(CC(=O)O)C2 4027760 HBWSRVTVYLQCPC-FXAINCCUSA-N 212.289 2.038 0 40 BEAB COC(=O)c1oc(-c2ccccc2)nc1C 5724573 QFCRXAFDRRPINE-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB O=C(c1nc2ccccc2s1)C1CCNCC1 12132077 HQSXXOOVLCEFBK-UHFFFAOYSA-N 246.335 2.479 0 40 BEAB COc1ccc(C(=O)Nc2ncccc2C)cn1 12555325 CPXJVZDWISSTNB-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB COc1ccc(C(=O)N2CCCCCC2)c(O)c1 12941947 NXDYEHRHSYKTND-UHFFFAOYSA-N 249.310 2.417 0 40 BEAB FC(F)(F)c1cccc(O[C@@H]2CCNC2)c1 14632189 VJGTZTLTQJKGEV-SNVBAGLBSA-N 231.217 2.446 0 40 BEAB Fc1ccc(NCc2cc[nH]n2)cc1F 20350782 DYFHXTAWYHLDKQ-UHFFFAOYSA-N 209.199 2.300 0 40 BEAB Cn1ccc(NCc2cc(F)ccc2F)n1 20354237 SEEBGMLBPJXYTD-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB O=C(CCn1cccn1)Nc1cccc(F)c1 20602909 GLUCENXRPXJSGE-UHFFFAOYSA-N 233.246 2.051 0 40 BEAB COc1cc(CNC(C)(C)C)ccc1O 22145237 GCBDJKUZIAQOBU-UHFFFAOYSA-N 209.289 2.289 0 40 BEAB in-vitro Cc1cccc(C(=O)N2CCC[C@H](C)C2)n1 32909065 QFJCMLRCBLNXQE-JTQLQIEISA-N 218.300 2.262 0 40 BEAB c1ccc(-n2cc(C3CCNCC3)cn2)cc1 33487583 NXSCNTAYEMSQOA-UHFFFAOYSA-N 227.311 2.339 0 40 BEAB O=C(O)c1ccc(C(=O)c2ccccc2F)o1 34551339 RPCPONCJRZYSMI-UHFFFAOYSA-N 234.182 2.348 0 40 BEAB COC[C@H](C)NCc1cccc(F)c1F 35223611 BBXMHGPGJXCZIL-QMMMGPOBSA-N 215.243 2.089 0 40 BEAB CCCCCc1c(C)nc(N2CCCC2)[nH]c1=O 35325028 ZHUXIRZRSDBGJA-UHFFFAOYSA-N 249.358 2.411 0 40 BEAB O=c1cc[nH]c2c(F)cc(Br)cc12 35731144 WDEWJCNNJOEGHB-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB in-vitro C=CC(=O)Nc1ccccc1N1CCCC1 36334908 JBXJOSSUBROOCD-UHFFFAOYSA-N 216.284 2.411 0 40 BEAB O=c1nc2n(c3ccsc13)Cc1ccccc1-2 36611839 KCZISIDEXVCMPZ-UHFFFAOYSA-N 240.287 2.487 0 40 BEAB C1CCCN(CCNC2CCCC2)CC1 37404201 LCRHMTNDIXXUDE-UHFFFAOYSA-N 210.365 2.395 0 40 BEAB Clc1ccc(OC[C@@H]2CCNC2)cc1 38580825 ZRYYOZMCVVVDHZ-SECBINFHSA-N 211.692 2.328 0 40 BEAB C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CC1 40040037 QJQWXCIPMQAMQT-KYTZWMPUSA-N 249.354 2.297 0 40 BEAB O=C(NC[C@@H]1CCCO1)C1(c2ccccc2)CC1 41510070 AEVOMOCKRBVNBD-ZDUSSCGKSA-N 245.322 2.013 0 40 BEAB CN(Cc1cnn(C)c1)c1nc2ccccc2o1 42096798 HTGWDQICFDDMDQ-UHFFFAOYSA-N 242.282 2.198 0 40 BEAB CC1(NC(=O)c2ccc(Cl)nn2)CCCC1 42187873 QUEVBNMMUYMJBF-UHFFFAOYSA-N 239.706 2.193 0 40 BEAB Cc1cc(NN)nc(Nc2ccc(F)c(C)c2)n1 44845911 FPDVYBPHXOPQRY-UHFFFAOYSA-N 247.277 2.262 0 40 BEAB C[C@H](NS(C)(=O)=O)c1cc2ccccc2o1 48840447 OUAOQABGAYMHLF-QMMMGPOBSA-N 239.296 2.043 0 40 BEAB CCc1nnc(CN2CCCCCCC2)o1 54115314 FFWHLPWULLGMFK-UHFFFAOYSA-N 223.320 2.398 0 40 BEAB O=C(CSCc1ccc(F)cc1)NC1CC1 58093314 UFVMRLRDGNFXSD-UHFFFAOYSA-N 239.315 2.338 0 40 BEAB CCCN(CCC)C(=O)/C=C/c1cnn(C)c1 58291310 ZTFQPNCVPNPXHS-VOTSOKGWSA-N 235.331 2.082 0 40 BEAB CCNCc1cccc(-c2ccnn2C)c1 69020684 YSDPUVJEFNABDL-UHFFFAOYSA-N 215.300 2.197 0 40 BEAB COc1ccc(Br)c(F)c1O 72190254 CMDAXWAGQKABTP-UHFFFAOYSA-N 221.025 2.302 0 40 BEAB in-vitro CC[C@@H](N)c1cnc(N(C)CC)cc1C 72223243 GGOSXMPHEPACAQ-LLVKDONJSA-N 207.321 2.256 0 40 BEAB c1cc([C@H]2CNCCO2)ncc1NC1CCCC1 72386449 SDSNZJTWCWVPEY-CQSZACIVSA-N 247.342 2.097 0 40 BEAB COc1ccccc1-c1cc[nH]c1C(=O)O 74112012 HKILSKDTYVRAOH-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)c1cnn(C)c1 74716986 LLQWAQOSTKAGSP-JTQLQIEISA-N 241.294 2.012 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)C(C)(C)C)on1 78652684 XUWPZEYSMVNSKG-QMMMGPOBSA-N 210.277 2.147 0 40 BEAB Cc1c([S@@](=O)O)c2ccccc2n1C 82533249 HMFDBENNFJSQDX-UHFFFAOYSA-N 209.270 2.067 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)c(N(C)C)c1 84793844 LHEBBWJRBSZEOZ-WCQYABFASA-N 246.354 2.333 0 40 BEAB O=C(C1CCOCC1)N1CCC[C@H]2CCC[C@H]21 89817852 NVBOLDBZOAOVLV-DGCLKSJQSA-N 237.343 2.204 0 40 BEAB CC(C)COc1c(F)cc(F)cc1CO 95739716 NTOACEGWQNYIGN-UHFFFAOYSA-N 216.227 2.492 0 40 BEAB Cc1cnc(CN[C@@H](C)c2nccn2C)s1 95985047 NRQVHQPBJCNHLB-VIFPVBQESA-N 236.344 2.036 0 40 BEAB Cc1nc(COC(=O)[C@H]2C[C@@H]2C)sc1C 96442725 QJBXIPPMUWFIFT-RCOVLWMOSA-N 225.313 2.459 0 40 BEAB CCC1(CNC(=O)CCOC)CCCC1 96473317 TZKFAFGRXXXVHQ-UHFFFAOYSA-N 213.321 2.110 0 40 BEAB NCC1CCN(CC2(c3ccccc3)CC2)CC1 96523631 RCEPWCVJXSUFAA-UHFFFAOYSA-N 244.382 2.389 0 40 BEAB CCn1cccc1-c1noc(C2CCNCC2)n1 96531607 UJSZDRLYDUTGIJ-UHFFFAOYSA-N 246.314 2.025 0 40 BEAB Cc1cc(OCc2ccccc2)ncn1 98175274 DHHMTGQKHXHVQW-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB O=S(=O)(c1ccccc1)C12C3[C@@H]1CCC[C@@H]32 103786373 NSLOGIRCCYECDD-ZSVAQUKISA-N 234.320 2.259 0 40 BEAB COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 109153622 KFESTBSZFJPKJP-SFYZADRCSA-N 212.195 2.241 0 40 BEAB CCCC[C@H](CC)CN1CCNC[C@H]1C 134850856 CTEYDSHQPCHLCV-OLZOCXBDSA-N 212.381 2.497 0 40 BEAB C[C@@H](c1ccccc1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 143973567 ZQUNYTSMUVIALC-CDGCEXEKSA-N 217.312 2.203 0 40 BEAB O=Cc1cnc(COc2ccc(F)cc2)nc1 217375455 RUTQBGOYKRVDBH-UHFFFAOYSA-N 232.214 2.007 0 40 BEAB CC[C@H](C)n1ccc(CNCCOC)c1 223693247 SRWPSQOWMWRNNO-NSHDSACASA-N 210.321 2.195 0 40 BEAB CC(C)(C)OC(=O)NC1[C@@H]2CC=CC[C@@H]12 225753872 XLYHXOPCEVMQKC-RKDXNWHRSA-N 209.289 2.476 0 40 BEAB Cc1cccc2cc(C(=O)NC(C)C)c(=O)oc12 226034020 UJYNSNNKCHEQPX-UHFFFAOYSA-N 245.278 2.240 0 40 BEAB COC(=O)c1cc(-c2ccc3c(c2)CCO3)on1 259694758 IMBLXNGEQKAGNV-UHFFFAOYSA-N 245.234 2.063 0 40 BEAB CN(C(=O)N1CCSCC1)C1CC(C)(C)C1 334901875 REYMFGTWWNVGNR-UHFFFAOYSA-N 242.388 2.276 0 40 BEAB CC(C)c1cnc(N2CC[C@](C)(O)C2)s1 336448755 FCYPMPDEDSQWBN-NSHDSACASA-N 226.345 2.228 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1 1358339 KUPIVLVWGJMWLV-UHFFFAOYSA-N 247.298 2.169 0 40 BEAB c1cc2[nH]ncc2cc1C1CCOCC1 2526951 VGDVEZOLXMDDTC-UHFFFAOYSA-N 202.257 2.457 0 40 BEAB CC[C@@H](C)NCc1ccc2c(c1)OCO2 4897328 VWVHDPORHNWWNM-SECBINFHSA-N 207.273 2.303 0 40 BEAB CC(=O)c1cccc(OCC(=O)NC(C)(C)C)c1 6515253 UGDBSFFHGQECAA-UHFFFAOYSA-N 249.310 2.183 0 40 BEAB CCNC(=O)CCSCc1ccccc1 7685560 BKRWQAUJGMNPBB-UHFFFAOYSA-N 223.341 2.446 0 40 BEAB Cc1cc(NC(=O)CNc2ccc(F)cc2)no1 9335868 WXBBKSUCTACHJZ-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB Nc1nnc(C23CC4CC(CC(C4)C2)C3)o1 12362963 AFLVWDDWXHKWJM-UHFFFAOYSA-N 219.288 2.120 0 40 BEAB Cc1c(C(=O)N[C@H](C)c2cccs2)cnn1C 19553406 VXUDKAFKYOVXHZ-MRVPVSSYSA-N 249.339 2.281 0 40 BEAB CCn1c(C(=O)O)cc2c(F)cccc21 32501255 NNEUCFJEBYTSQT-UHFFFAOYSA-N 207.204 2.499 0 40 BEAB COc1cccc(-c2ccc(C)cn2)n1 34566062 ZBVYIWKIRXCWPW-UHFFFAOYSA-N 200.241 2.461 0 40 BEAB COc1ccc(C)cc1C1(CN)CCOCC1 34940519 IGCCIDMLRGNVFE-UHFFFAOYSA-N 235.327 2.011 0 40 BEAB in-vitro CC(C)c1cccc(-n2cc(O)c(C(=O)O)n2)c1 37010695 IZGNORNRZCCVCK-UHFFFAOYSA-N 246.266 2.400 0 40 BEAB in-vitro CC(C)c1ccc(CNCCCN)cc1 37713149 APQYGZCEGYJPBT-UHFFFAOYSA-N 206.333 2.248 0 40 BEAB COc1ccsc1I 38954011 POVLWDRUSKHAKW-UHFFFAOYSA-N 240.065 2.361 0 40 BEAB C[C@H](CC(=O)O)C(=O)c1cccc(F)c1 43369348 CNNODSOXSKAMFH-SSDOTTSWSA-N 210.204 2.119 0 40 BEAB in-vitro C[C@@H]1CCCCN1Cc1nc(C2CC2)no1 43999598 BYRQRAFNYSBIME-SECBINFHSA-N 221.304 2.321 0 40 BEAB CN(C)c1ccc(C(=O)N2CCCCCC2)cn1 46112270 CPVHYRZCMBPQQB-UHFFFAOYSA-N 247.342 2.164 0 40 BEAB CC(C)(C)C(=O)NCCCOC1CCCC1 61260850 MATYEISUWZLGJP-UHFFFAOYSA-N 227.348 2.498 0 40 BEAB CC(C)(C)c1ccc(/C=C/C(=O)NCCO)cc1 62714653 WNTJDWUNHZKINF-RMKNXTFCSA-N 247.338 2.106 0 40 BEAB OCC1(Cc2ccccc2Cl)CCNCC1 67955500 LXWBABZVTPWEQJ-UHFFFAOYSA-N 239.746 2.245 0 40 BEAB CCCCNC(=O)[C@@]1(C)CC1(Cl)Cl 68322726 FPAYFUMUGXCBRD-MRVPVSSYSA-N 224.131 2.487 0 40 BEAB CCOc1ccc(C(=O)N(CC)C2CC2)cn1 70037902 KFQCJJVINBUKDU-UHFFFAOYSA-N 234.299 2.105 0 40 BEAB COCc1ccc(N)cc1C(=O)N1CCCCC1 72209218 WLFPKZPNZRQTFC-UHFFFAOYSA-N 248.326 2.041 0 40 BEAB CN1CCC[C@H](Cc2cncc(Cl)n2)C1 72363345 ROHMWWWYKSJYLU-SECBINFHSA-N 225.723 2.014 0 40 BEAB Brc1ncc(-c2ccncc2)o1 75842687 UYHMTORKIWFNKE-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB in-vitro O=C(O)C1(c2ccc(C(F)(F)F)nc2)CC1 95094307 AUGIDCOYKPCYOG-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB COC[C@@H](CC(C)C)OC(=O)c1cscn1 95394009 KVRSJBZYJSIOJS-SECBINFHSA-N 243.328 2.361 0 40 BEAB c1nc(N2CCC[C@@H]3CCC[C@@H]32)c2cn[nH]c2n1 95403324 NWOUTFYLCNZFMF-ONGXEEELSA-N 243.314 2.122 0 40 BEAB CO[C@@H](C)CCOC(=O)c1ncoc1C(C)C 96442910 ICPSIMAIHCTVED-VIFPVBQESA-N 241.287 2.380 0 40 BEAB CCN(Cc1ccccc1C)[C@@H]1CCN(C)C1=O 97031854 MDQWYMVMXIGATM-CQSZACIVSA-N 246.354 2.048 0 40 BEAB CC(C)(C)CN1CCN(Cc2ccncc2)CC1 184713383 AQQHSFUDCNVVBH-UHFFFAOYSA-N 247.386 2.245 0 40 BEAB CSCCCCC(=O)N1CCCCO1 189544148 VNLRQZJSSSCISU-UHFFFAOYSA-N 217.334 2.074 0 40 BEAB CC(C)CSCCCn1ncccc1=O 195419245 VRJQSFCSFUQZAF-UHFFFAOYSA-N 226.345 2.023 0 40 BEAB O[C@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 195575402 BWPFKUINQLEOGW-BDAKNGLRSA-N 244.241 2.008 0 40 BEAB Cc1ccc(CNC(=S)Nc2ccncc2)o1 223905970 NCKGXHMQXAXSBS-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB CO[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225095205 GFVZVAATIQJBGV-VIFPVBQESA-N 248.200 2.348 0 40 BEAB CCCCNc1ccc(C(=O)NC2CC2)cc1N 225406800 ISEAWLLKIAVMIG-UHFFFAOYSA-N 247.342 2.373 0 40 BEAB Nc1cc(C(=O)N2CCCC2)ccc1NC1CC1 225409555 AVWOEAPAGIIBJH-UHFFFAOYSA-N 245.326 2.079 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H]([C@@H](CN)CO)C2 225467303 OCNAGPQNZVNTGV-KQXIARHKSA-N 211.349 2.016 0 40 BEAB CCCOc1cc(Cl)c(C(=O)OC)cc1N 225731824 QOAJSMILNRPIIW-UHFFFAOYSA-N 243.690 2.498 0 40 BEAB Cn1cc(Br)c(OCC2CCC2)n1 256054616 XAJBMWZCSHSXHT-UHFFFAOYSA-N 245.120 2.362 0 40 BEAB C[C@@H]1CN(C(=O)C2[C@@H]3CCC[C@@H]23)C[C@@H](C)S1 531135491 UYWPEYIDKMHZRM-GWOFURMSSA-N 239.384 2.385 0 40 BEAB Cc1ccnc(OC[C@@H]2CCCCO2)c1 585653908 ANJLOVLOFYZMNZ-NSHDSACASA-N 207.273 2.338 0 40 BEAB COc1cccnc1N1CCC[C@@H](C)C1 623788850 SZXLDXIBVLEUTC-SNVBAGLBSA-N 206.289 2.327 0 40 BEAB CN(C)C(=O)Nc1cnccc1C(F)(F)F 77366 CPIMHHOJTHKVNA-UHFFFAOYSA-N 233.193 2.194 0 40 BEAB NNC(=S)Nc1cccc(Cl)c1Cl 97977 WMKBKUQEIHLEHL-UHFFFAOYSA-N 236.127 2.154 0 40 BEAB Cc1ccc(-c2nn(CO)c(=S)o2)cc1 290144 VQUCGDCJSHQZDB-UHFFFAOYSA-N 222.269 2.131 0 40 BEAB Nc1cc(Nc2cccc(Cl)c2)nc(N)n1 1675007 UBLVYMZBOMHJKQ-UHFFFAOYSA-N 235.678 2.038 0 40 BEAB O=C(O)COc1cc(F)c(Cl)cc1F 1732228 ATNYWIKWLRMZEX-UHFFFAOYSA-N 222.574 2.082 0 40 BEAB O=C(Nc1cccnc1)[C@H]1C[C@H]2CC[C@@H]1C2 3879099 HFOFBRTWHXZMTL-UMNHJUIQSA-N 216.284 2.456 0 40 BEAB CN(CCc1ccccn1)C(=O)c1cccs1 5689026 PWCZXYKHFJBDRT-UHFFFAOYSA-N 246.335 2.458 0 40 BEAB COc1cc(N2CCCCC2=O)ccc1C=O 8470675 CGARQOPWYWWCMC-UHFFFAOYSA-N 233.267 2.025 0 40 BEAB Cc1nc(/C=C/C(=O)NCc2ccco2)cs1 14850191 NCIZKUYYPUEXGX-SNAWJCMRSA-N 248.307 2.374 0 40 BEAB O=C(O)[C@H](c1cccs1)N1CCCCC1 16764555 MMKRGDXZJNXJJH-JTQLQIEISA-N 225.313 2.360 0 40 BEAB CNC(=O)c1ccccc1NC(=O)C1CCCC1 19208098 QINCZKYGEZTISG-UHFFFAOYSA-N 246.310 2.175 0 40 BEAB Nc1nc(Cl)c(Br)c(Cl)n1 20358078 LAUORAFVFXRKDL-UHFFFAOYSA-N 242.891 2.128 0 40 BEAB in-vitro CC(C)c1ccc(CNCCN(C)C)cc1 22076456 CSLICQKUPIIGAY-UHFFFAOYSA-N 220.360 2.461 0 40 BEAB CC[C@H](C)c1nc(Cl)nn1-c1ncccn1 22125973 APUBKWAPUIULMZ-ZETCQYMHSA-N 237.694 2.224 0 40 BEAB CCCc1cc(C(=O)NCc2cccs2)[nH]n1 29709674 YZTSPCCHYVXPAM-UHFFFAOYSA-N 249.339 2.354 0 40 BEAB NCc1nc[nH]c1-c1ccc(Cl)cc1 31891376 VFUXSRQHDFNFRO-UHFFFAOYSA-N 207.664 2.189 0 40 BEAB Clc1ccccc1-c1ccnc2nncn12 32095943 HAQURHRSIDAQNK-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB CC[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1 33019002 OQPDSPKZZRBGCX-VIFPVBQESA-N 245.278 2.321 0 40 BEAB Cn1nc(C2CCNCC2)c2ccc(F)cc21 34212250 UYHMFEUGBDQNAM-UHFFFAOYSA-N 233.290 2.179 0 40 BEAB O=C(O)[C@H]1CS[C@H](c2ccc(Cl)s2)N1 36906845 IKBXTCUEVOKTDZ-CLZZGJSISA-N 249.744 2.190 0 40 BEAB in-vitro c1ccc2c(c1)OCC[C@H]2NC[C@@H]1CCOC1 37074390 MCVLEBKYOPWARN-WCQYABFASA-N 233.311 2.136 0 40 BEAB CCOC(=O)c1ccc(C)c(F)c1F 39104932 BTRWDPFKMBCWDA-UHFFFAOYSA-N 200.184 2.450 0 40 BEAB in-vitro C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 40505877 ZYVLRFFHDODNDS-NEPJUHHUSA-N 225.332 2.204 0 40 BEAB COc1ccc(CCCN)cc1Br 41289877 GIDGULPIJXWTRH-UHFFFAOYSA-N 244.132 2.349 0 40 BEAB CCC(=O)N1CCO[C@@H](c2ccccc2C)C1 41395308 WQWXLLDIFCHWIN-CYBMUJFWSA-N 233.311 2.305 0 40 BEAB O=Cc1c[nH]c2ccnc(C(F)(F)F)c12 44700161 IPLAFEFDZYQZSQ-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2cc(C(C)C)n[nH]2)n1C 49044221 MLQJAVICIYWVBC-UHFFFAOYSA-N 246.314 2.432 0 40 BEAB Fc1ccc(NCc2cncnc2)cc1 54766965 OULCBQMMLNOIPM-UHFFFAOYSA-N 203.220 2.228 0 40 BEAB CCN(Cc1cccnc1)C[C@H]1CCCO1 69452710 CDAPKJUJGLJJJM-CYBMUJFWSA-N 220.316 2.083 0 40 BEAB CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O 69551909 HJFHLUQGWPTHMM-QMMMGPOBSA-N 231.292 2.107 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN1Cc1ccncc1 72357067 SRMWGQMRZATEQL-ZDUSSCGKSA-N 242.326 2.450 0 40 BEAB CCCC(=O)Nc1ccc(N)cc1OCC 73638391 ADQISQKQCSBUKL-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB CN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 75906653 IBOBUHRUWLSIJN-SSDOTTSWSA-N 233.237 2.238 0 40 BEAB CC[C@H](O)[C@H]1CCCCN1Cc1ccccn1 76325330 KYZZETHYMGFHOY-KGLIPLIRSA-N 234.343 2.207 0 40 BEAB OCCOC[C@H]1CCCCN1Cc1ccccc1 79390542 ZSLPPTNIOXWNFI-OAHLLOKOSA-N 249.354 2.050 0 40 BEAB CCOC(=O)c1nnc(-c2ccccc2F)o1 85652932 PNOMDHXPRHUTAC-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB O=C(Cc1ccccn1)N1CCC2(CC1)CC2 96051075 USFWYILJQUQEQX-UHFFFAOYSA-N 230.311 2.027 0 40 BEAB COc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1OC 96442985 KDZZEDKSRRAHHO-WCBMZHEXSA-N 236.267 2.265 0 40 BEAB CCOCC(=O)N[C@@H]1CCCC[C@@H]1SCC 96456049 QJSWIDIUTOJGKL-MNOVXSKESA-N 245.388 2.203 0 40 BEAB COCCc1cnc([C@H](C)OC)nc1Cl 96529190 YBMXIKPBZZUUSZ-ZETCQYMHSA-N 230.695 2.026 0 40 BEAB CC(C)(C)OC(=O)N1CCC(C)(C)C(=O)C1 97758869 LIXKFZLVAXGNLL-UHFFFAOYSA-N 227.304 2.223 0 40 BEAB c1ccc2c(c1)CC1(CCOCC1)CN2 98214178 PDZYSSZRHPBYBK-UHFFFAOYSA-N 203.285 2.451 0 40 BEAB OC12C[C@H]3C[C@H](C1)CC(NCc1ccco1)(C3)C2 101575605 WAHOWIWAUNTOQN-XOEAPDPESA-N 247.338 2.453 0 40 BEAB CC(C)CSCCN1C(=O)[C@@H](C)[C@@H](C)C1=O 101903606 OFZIRYUZDABPHR-AOOOYVTPSA-N 243.372 2.017 0 40 BEAB NC[C@H](F)c1ccccc1Br 107260820 PSILMZYIDXSKAA-QMMMGPOBSA-N 218.069 2.418 0 40 BEAB N[C@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 218884977 SGLYJMFKFVWGQM-WDEREUQCSA-N 212.243 2.257 0 40 BEAB COc1ccc(CCC(=O)N(C)C)cc1C 222829032 MVERDGDFIQWHAB-UHFFFAOYSA-N 221.300 2.024 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1 225716588 SILOSBBKHXSDGL-OLZOCXBDSA-N 220.291 2.156 0 40 BEAB CCn1ncc(NCc2c(C)cnn2CC)c1C 256051574 JSEKOYBWINDFPM-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB COC(=O)C(=O)c1c(C)cccc1Cl 306997785 XMHOXHGWGOCWOJ-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB Cc1ccc(N)c(C)c1I 307729869 HOMDUFHREGBMQZ-UHFFFAOYSA-N 247.079 2.490 0 40 BEAB Cc1cc2c(Br)ncnc2[nH]1 575631027 JAIRMPKSDIEHKA-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB Oc1nnc([C@H]2CCCO2)cc1C(F)(F)F 1535647238 GMCOZVYQRAOIGH-SSDOTTSWSA-N 234.177 2.053 0 40 BEAB CCCCOC(=O)C(F)C(=O)OCCCC 1569108 CXOXVBFZFNYYRP-UHFFFAOYSA-N 234.267 2.011 0 40 BEAB COc1cc2ccc(CC(=O)O)cc2cc1OC 1618451 OSKZYKATAHBWQX-UHFFFAOYSA-N 246.262 2.484 0 40 BEAB OC[C@]12CCCC[C@@H]1CC1(CC2)OCCO1 1729854 LMIFASMCQAQHPQ-VXGBXAGGSA-N 226.316 2.082 0 40 BEAB CC(=O)n1nc2c(c1C)C(=O)CC(C)(C)C2 3172217 OTDPBIFVTPILNM-UHFFFAOYSA-N 220.272 2.007 0 40 BEAB COc1cc([C@@H](C)N)ccc1OC(F)F 22216927 BEAWGBQBYFZGAN-ZCFIWIBFSA-N 217.215 2.316 0 40 BEAB in-vitro Cn1c(/C=C\C(=O)O)cc2ccccc21 8628449 UEWKUVAAIKIGEJ-SREVYHEPSA-N 201.225 2.276 0 40 BEAB Cc1ccc(C(=O)NCCCCCC(=O)O)cc1 22220169 YTRHROXTQZIZTN-UHFFFAOYSA-N 249.310 2.370 0 40 BEAB Cc1cc(C(=O)O)ccc1N1CCCC1 8701840 JLOCZZJDGGLEME-UHFFFAOYSA-N 205.257 2.293 0 40 BEAB CN(C)Cc1cn(CCC(=O)O)c2ccccc12 873823 YXYAKJKQODCBDT-UHFFFAOYSA-N 246.310 2.178 0 40 BEAB CCc1cccc(N[C@H]2CCCCNC2=O)c1 12545642 OPZOYFWVRBHYHZ-ZDUSSCGKSA-N 232.327 2.330 0 40 BEAB Cc1ccccc1CN(C)[C@H]1C[C@@H](C)OC1=O 107569422 UTEPJJPZARQIRX-YPMHNXCESA-N 233.311 2.131 0 40 BEAB COc1ccc(-c2nc3cnccc3o2)cc1N 20158671 DMWPGQJEFUHWNC-UHFFFAOYSA-N 241.250 2.481 0 40 BEAB CCNC1=NC[C@H](c2ccccc2)S1 35294246 AZVKLDRVBYAHKB-SNVBAGLBSA-N 206.314 2.440 0 40 BEAB in-vitro Cc1cc(C(=O)N2CCn3cccc3[C@@H]2C)no1 57308403 ILSXMVZPMPPOEJ-JTQLQIEISA-N 245.282 2.002 0 40 BEAB O=C(COc1ccccc1F)N1CCCCC1 3203081 VFLBEOAHZKDAAF-UHFFFAOYSA-N 237.274 2.217 0 40 BEAB COc1ccc(C(=O)CCCC(=O)O)cc1C 11631178 SHQLJSBDGHUATC-UHFFFAOYSA-N 236.267 2.441 0 40 BEAB C1CCc2sc(C3CCNCC3)nc2C1 11632073 PNQVNSYQUPHCMF-UHFFFAOYSA-N 222.357 2.489 0 40 BEAB O=CNCCc1nc(-c2ccccc2)cs1 3768001 RKGDTUBMBASWEP-UHFFFAOYSA-N 232.308 2.099 0 40 BEAB CC(C)c1ccc(N2C(=O)[C@@H](C)NC2=S)cc1 4206693 IJXWITBMUVNKRK-SECBINFHSA-N 248.351 2.420 0 40 BEAB in-vitro COc1ncccc1C(=O)OCc1ccoc1C 91696267 AVZCPRPXUFWFTM-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 71798771 PWPOYPFSTAPMAS-IUCAKERBSA-N 210.321 2.225 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1Nc1cncc(Cl)n1 96427235 RXKUANIAFUEWSF-KWQFWETISA-N 241.722 2.093 0 40 BEAB Cc1nnc(CN[C@H](C)C2CCCCC2)o1 97109654 YBIOTYYKQISCBA-SECBINFHSA-N 223.320 2.436 0 40 BEAB CCOc1ccc(C(N)=O)cc1C(F)(F)F 71867337 OQBNISNCGCRBHE-UHFFFAOYSA-N 233.189 2.203 0 40 BEAB CCOC(=O)N1CCC[C@@H]1c1cccnc1 159610 NESBODWIJLONJA-LLVKDONJSA-N 220.272 2.375 0 40 BEAB biogenic,in-vitro CC(=O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 32010176 PELHIDUSZKOBNI-QWHCGFSZSA-N 203.285 2.445 0 40 BEAB CC(=O)N1CCCC[C@H]1c1nc(C)cc(C)n1 72187638 DDVIJXOQKTUWRG-LBPRGKRZSA-N 233.315 2.167 0 40 BEAB CC[C@@H](N)c1ccc(N(CC)CC)nc1 72225265 QXNQUNJBCNERFR-LLVKDONJSA-N 207.321 2.338 0 40 BEAB Cc1c[nH]nc1C1CCN(C(=O)C(C)C)CC1 72361224 PQYWWHWVNHREST-UHFFFAOYSA-N 235.331 2.080 0 40 BEAB CCOC(=O)CCOc1ccc(F)c(F)c1 36671089 JTMZURJEFFCQPK-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB Nc1ccc(F)c(F)c1[C@H](N)C(F)(F)F 72190712 YXTYJUWWNHLOTQ-ZETCQYMHSA-N 226.148 2.109 0 40 BEAB NCCN(Cc1c(F)cccc1Cl)C1CC1 32100831 RZYLNYCTCWPRKG-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB Clc1ccc2c(c1)N[C@H]1CCNC[C@@H]21 71484568 WYZHKRBFEWYMLL-UWVGGRQHSA-N 208.692 2.211 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C2(F)F 74942452 RYCLZPJKWUKFKM-RQJHMYQMSA-N 219.231 2.261 0 40 BEAB COc1ccc([C@@H](O)c2ccccc2)cn1 72225047 IOJFOVIXFKMHAZ-ZDUSSCGKSA-N 215.252 2.172 0 40 BEAB NCCCn1cc(-c2ccc(F)cc2)cn1 49817081 NLPMLHPIQKKWBL-UHFFFAOYSA-N 219.263 2.038 0 40 BEAB CCOC(=O)C(=O)c1c(C)cc(OC)cc1C 82723345 APLYQXWCUQBKKB-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB COc1ccc(/C=C/C(=O)O)c(Cl)c1O 44201267 XCJSNAKBJVZZKF-HWKANZROSA-N 228.631 2.152 0 40 BEAB CC1(C)CC(=O)[C@@H]2C(c3cccs3)=NN[C@@H]2C1 228921847 SBTWTTZVJMNJSG-LDYMZIIASA-N 248.351 2.429 0 40 BEAB Cc1ccc(Cl)c(CC(=N)N)c1F 228918120 NFGZDBVDLSRPDN-UHFFFAOYSA-N 200.644 2.266 0 40 BEAB C[C@H](O)c1ccc(N(C)C(=O)C(F)(F)F)cc1 226272705 DJDUXFMSOWGYIW-ZETCQYMHSA-N 247.216 2.265 0 40 BEAB CC(C)[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C 82348714 JZWRCXLLTHEQOW-UWVGGRQHSA-N 229.320 2.013 0 40 BEAB O=C(O)c1cc(C2CC2)ncc1Br 96877746 ZZWOSURJZSWLKW-UHFFFAOYSA-N 242.072 2.420 0 40 BEAB CC[C@H](C(=O)O)n1cc(C)c(C(F)(F)F)n1 238853984 LYWMJBRAHAKOSJ-ZCFIWIBFSA-N 236.193 2.246 0 40 BEAB COc1ccc(I)c(C)n1 238355437 CSKMIEHDBKYHPR-UHFFFAOYSA-N 249.051 2.003 0 40 BEAB O=C(O)c1ccc(CCc2ccccc2)[nH]1 74116012 XZCFBUOVIPZWHC-UHFFFAOYSA-N 215.252 2.498 0 40 BEAB N[C@@H]1CCC[C@H]1Oc1ccnc(C(F)(F)F)c1 302417452 JKYVDODAYAJFLC-RKDXNWHRSA-N 246.232 2.359 0 40 BEAB CCC(C)(C)NC(=O)Cc1c(C)noc1C 39976070 JNXUBZHNEQHXHG-UHFFFAOYSA-N 224.304 2.139 0 40 BEAB CC(C)(N)[C@@H](O)c1cccc(Br)c1 19684301 LFEUDFRKSCSGPS-VIFPVBQESA-N 244.132 2.220 0 40 BEAB C[C@@](O)(C1CC1)[C@@H](C(=O)O)c1ccccc1 1593050 SLDAEGGTLLAFPL-DGCLKSJQSA-N 220.268 2.016 0 40 BEAB c1cc(N2CCOCC2)c2sccc2n1 266095670 GGCRASXCNMNBOZ-UHFFFAOYSA-N 220.297 2.133 0 40 BEAB COc1c(C=O)ccc(F)c1Br 213974258 UPJAIYPDNJJQDQ-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1593088 XOHMYQLKPHUOQR-AWEZNQCLSA-N 225.291 2.498 0 40 BEAB Fc1ccc(Br)n2cncc12 238620772 QXMLPUZUNQKXJV-UHFFFAOYSA-N 215.025 2.236 0 40 BEAB O=C(O)CN1CCC[C@H]1c1cccc(F)c1 12397277 VTRGGNSEKSTOIE-NSHDSACASA-N 223.247 2.047 0 40 BEAB Cc1ccccc1CNC(=O)c1cccnc1 12988395 RTGCHSDNEZBNQR-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB CN(CCc1ccccc1)C(=O)[C@@H](N)C(C)(C)C 40468079 HWSFJCMKUNAZJL-CYBMUJFWSA-N 248.370 2.061 0 40 BEAB Cc1cc(CN2CC3(CC(F)C3)C2)ccn1 628307249 XDBKRTNABKGHFV-UHFFFAOYSA-N 220.291 2.324 0 40 BEAB Cc1ccc(-n2c(N)cc(=O)[nH]c2=S)cc1C 3881126 GVZSLCNAWSLCMX-UHFFFAOYSA-N 247.323 2.094 0 40 BEAB Fc1ccccc1-n1nnnc1-c1ccccc1 18192038 YRZADXHJINNBBG-UHFFFAOYSA-N 240.241 2.468 0 40 BEAB O=C(O)c1ccccc1OCc1ccncc1 20281710 MSXCCHTWBPXRSX-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro COc1ccc(C=O)c(OC(F)F)c1 40887824 MOOKIJWUMFKXMD-UHFFFAOYSA-N 202.156 2.109 0 40 BEAB in-vitro O=c1[nH]c2ccccc2cc1CNCC1CC1 20086312 XYRXZGVHZLZVEN-UHFFFAOYSA-N 228.295 2.028 0 40 BEAB Cc1cc(C)n2c(Br)cnc2n1 20358100 KTHMAZMJLBMJCA-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB O=C1NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 1453005 TYLZVLVSYYQUKZ-QMMMGPOBSA-N 241.699 2.234 0 40 BEAB CCN(CC)CCNC(=N)c1ccccc1C 1685206 RAYACBJSIZBXEK-UHFFFAOYSA-N 233.359 2.252 0 40 BEAB O=C1CSC(=O)N1Cc1ccccc1F 4498572 VJTWMNUDIIAJMS-UHFFFAOYSA-N 225.244 2.021 0 40 BEAB CCCCCNS(=O)(=O)c1ccccc1 4832109 XIDOZGRWMHOSFW-UHFFFAOYSA-N 227.329 2.155 0 40 BEAB C[C@@H]1CCCC2=C1[C@@H](O)c1c(N)cccc1[C@@H]2O 5392874 FWXVQPOPJHBIEI-KBOAJJQZSA-N 245.322 2.466 0 40 BEAB O=C(COc1ccc(Cl)cc1)n1cccn1 6343011 UGTYGJPUUGTILS-UHFFFAOYSA-N 236.658 2.256 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 6647844 AUVAPUVVWIDTTM-YUMQZZPRSA-N 215.256 2.157 0 40 BEAB Cc1ccccc1COC(=O)c1cnccn1 8920955 PNUDYFZTUCXKKW-UHFFFAOYSA-N 228.251 2.142 0 40 BEAB COc1ccc([C@@H](O)c2ccco2)cc1 16945713 IWOQKQSKCFYQKW-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB COC(=O)[C@H](C)Oc1cc(C)cc(C)c1 16958017 IJIUJEPORWHICY-JTQLQIEISA-N 208.257 2.244 0 40 BEAB O=C(O)[C@H]1CCCN1CCCc1ccccc1 19787900 ZDXNEKQUNUDUPG-CYBMUJFWSA-N 233.311 2.168 0 40 BEAB Nc1cccc(CC(=O)OC2CCCC2)c1 20154998 CLTMECOPJWZBFZ-UHFFFAOYSA-N 219.284 2.297 0 40 BEAB CCOC(=O)c1cnc2c(c1)C(=O)CC(C)(C)C2 20358017 XAIRHYGGDDMHRS-UHFFFAOYSA-N 247.294 2.413 0 40 BEAB O=C1CC[C@@H]2NCCc3c2n1c1ccccc31 33902942 JWKLUJICNLQLKG-NSHDSACASA-N 226.279 2.262 0 40 BEAB CCOC(=O)CCN(C)Cc1ccccc1 34477637 XMCDHJNMZJAIRF-UHFFFAOYSA-N 221.300 2.072 0 40 BEAB in-vitro O=C(O)CNCc1cccc(Cl)c1Cl 35287287 KLXSCXIBJTVURN-UHFFFAOYSA-N 234.082 2.168 0 40 BEAB CCCOc1cccc2c(=O)cc[nH]c12 35731124 IUGWPNOYOLAMHK-UHFFFAOYSA-N 203.241 2.317 0 40 BEAB CN[C@H](C(=O)O)c1ccc(C(C)C)cc1 37181115 NHJQWKXUUCZCQR-NSHDSACASA-N 207.273 2.155 0 40 BEAB c1cc(C2=NCCN2)ccc1CN1CCCCC1 40448980 HAVZHDUQJKLRIT-UHFFFAOYSA-N 243.354 2.022 0 40 BEAB CC(C)CCNC(=O)CC[C@H]1CCCO1 40505983 BIORZQFZNBNGIP-LLVKDONJSA-N 213.321 2.108 0 40 BEAB C[C@@H]1CNCCN1Cc1ccccc1Cl 41245321 WJEFKEHMPJWMOV-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB Cc1noc([C@@H](C)N(C)Cc2ccco2)n1 42651852 QZUIBYUYKSMMGO-MRVPVSSYSA-N 221.260 2.164 0 40 BEAB C[C@@H](c1ccc(F)cc1)N1CCC(O)CC1 43220467 DTPQDUOJWMJUKR-JTQLQIEISA-N 223.291 2.343 0 40 BEAB Cc1nc(-c2ccc(C(=O)O)o2)cs1 49814415 PQUMDIFYSJMEAB-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB COCCN1CCC[C@H]1c1ccc(OC)cc1 53398657 QWLYPHYQPRRIQX-AWEZNQCLSA-N 235.327 2.479 0 40 BEAB Cc1ccc(C(=O)OCC2CCCCC2)c(=O)[nH]1 58061484 KYMDZNBJUGJEMP-UHFFFAOYSA-N 249.310 2.420 0 40 BEAB CC[C@H](C)N(C)C(=O)c1cnc2onc(C)c2c1 59892168 OKQYFFCZGROPOY-QMMMGPOBSA-N 247.298 2.402 0 40 BEAB O=C(O)c1noc(-c2ccccc2Cl)n1 68577024 OGSZRKMKBNNYTI-UHFFFAOYSA-N 224.603 2.088 0 40 BEAB in-vitro CC(=O)N1CCC[C@H]1c1cccnc1Cl 72211493 KGNPVMYFWBACQB-JTQLQIEISA-N 224.691 2.418 0 40 BEAB O=Cc1ccc(N2CCCCCC2)nc1 72225462 GBAWQLMYFWETQO-UHFFFAOYSA-N 204.273 2.275 0 40 BEAB CC(C)=CCN1CCc2cnc(C)nc2C1 72276641 NNTUZTZYLBSPRQ-UHFFFAOYSA-N 217.316 2.109 0 40 BEAB CC(C)(C)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 76022341 ZZVMUOBSQJRUNO-QWRGUYRKSA-N 207.317 2.457 0 40 BEAB CN(CCO)Cc1cc(Cl)ccc1Cl 79420124 ZVBAJKQACDQQEJ-UHFFFAOYSA-N 234.126 2.418 0 40 BEAB CC[C@@H](N)c1cncc(Br)c1 84191762 UPGPOIOZNZTLTF-MRVPVSSYSA-N 215.094 2.254 0 40 BEAB N[C@@H](Cc1ccccc1)C(=O)c1ccccc1 90624143 FLVSDXZOBZUNOB-AWEZNQCLSA-N 225.291 2.439 0 40 BEAB Cc1cc2c(cc1N)O[C@H](F)C(F)(F)O2 91252490 BHJXWQUYMBMQHZ-QMMMGPOBSA-N 219.162 2.237 0 40 BEAB Cn1cccc1[C@H](O)c1ccc(F)c(F)c1 95727722 MPKKAVHGYRWYAU-GFCCVEGCSA-N 223.222 2.385 0 40 BEAB Cc1cn2c(n1)CC[C@H](Nc1ncccc1F)C2 97104594 CYRYNFBOXZGYGU-JTQLQIEISA-N 246.289 2.153 0 40 BEAB O[C@@H]1CCC[C@@H]1Nc1ccncc1Cl 97104655 QIQBHGUBPIHVQU-VHSXEESVSA-N 212.680 2.060 0 40 BEAB O[C@H](CNC1(c2ccccc2)CC1)C(F)(F)F 97378142 SMIHNBBQIAIBBM-SNVBAGLBSA-N 245.244 2.189 0 40 BEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]12 100078050 ZCJHLBHJGLCVRU-GGNYIFHQSA-N 240.302 2.015 0 40 BEAB CC(C)C(=O)NCCSC(C)(C)C 147388432 DEVDEGFJFDPVOF-UHFFFAOYSA-N 203.351 2.290 0 40 BEAB CC[C@H](NN)c1cccc(Br)c1 161785074 LNMPLLQQIHIUHF-VIFPVBQESA-N 229.121 2.364 0 40 BEAB CNc1cc(Cl)c(C(=O)NC(C)C)cc1N 225728990 LXJSFFDOHWHVQX-UHFFFAOYSA-N 241.722 2.102 0 40 BEAB C[C@@]1(O)CC[C@H]1Nc1ccc(C(F)(F)F)cn1 1776009448 MGVFYQJDQFGZMK-PSASIEDQSA-N 246.232 2.426 0 40 BEAB CSc1nnc([C@@H](N)Cc2ccccc2)o1 532229 PGRUEZNRVWFMLS-VIFPVBQESA-N 235.312 2.034 0 40 BEAB C[C@@H]1CO[C@@H](c2ccc(N(C)C)cc2)O1 1687903 JJXDAGJXGOZEGJ-BXKDBHETSA-N 207.273 2.187 0 40 BEAB CC(C)[C@H](O)[C@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845871 QJANQSIODSCOQO-NRUUGDAUSA-N 244.331 2.052 0 40 BEAB biogenic O=C(NC1CC1)c1ccc(Cl)s1 8034998 IUWRFPZFYWEXGJ-UHFFFAOYSA-N 201.678 2.294 0 40 BEAB Cc1cccc(NC(=O)N2CCC[C@@H](CO)C2)c1 8937040 IGOAIYPIYCFKHO-GFCCVEGCSA-N 248.326 2.231 0 40 BEAB O=C(Nc1ccc(C(=O)O)s1)c1ccco1 12505401 OGGZITWUFBSWSO-UHFFFAOYSA-N 237.236 2.292 0 40 BEAB COC[C@@H](C)NC(=O)Nc1cccc(C)c1 12850929 YNYNVDCUXOKBEY-SNVBAGLBSA-N 222.288 2.151 0 40 BEAB CC(=O)Nc1cccc(OC[C@@H]2CCCNC2)c1 14631207 WLLRVYKCSNMWPF-GFCCVEGCSA-N 248.326 2.023 0 40 BEAB O=c1[nH]ncc2c1[nH]c1ccc(Cl)cc12 15589954 NVQBYLIZHUNUDT-UHFFFAOYSA-N 219.631 2.058 0 40 BEAB CCc1nonc1NC(=O)c1cccc(C)c1 16753690 MAEPWVYJRRJELS-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB Cc1nc(C)c(-c2nnc3ccccn23)nc1C 19745138 HGHXABIFLLRVTA-UHFFFAOYSA-N 239.282 2.112 0 40 BEAB OCc1ccccc1OCC(F)(F)F 20032727 BWUDONYPQBJGIF-UHFFFAOYSA-N 206.163 2.120 0 40 BEAB CC(C)OC(=O)c1cc(Cl)ccc1N 20155163 BJWCREXGTNPSCQ-UHFFFAOYSA-N 213.664 2.487 0 40 BEAB CCCNC(=O)[C@H](C)Sc1nc(C)cs1 32776063 MTZRIKXGTWZRDQ-QMMMGPOBSA-N 244.385 2.458 0 40 BEAB CSCC(=O)N1CCCc2ccccc21 32975306 BVMBPJYGSRNVAQ-UHFFFAOYSA-N 221.325 2.329 0 40 BEAB CC[C@@H](N)[C@H](O)c1c(F)cccc1Cl 36779409 FMPJLTYAWDWGDH-SCZZXKLOSA-N 217.671 2.250 0 40 BEAB in-vitro CCCOc1ccc(OC)cc1C(=O)O 37022378 ODZUBBLCQDKABR-UHFFFAOYSA-N 210.229 2.182 0 40 BEAB Cc1cccc(NC(=O)CNCC2CCC2)c1 37180622 SJJIFZFWWIFUTP-UHFFFAOYSA-N 232.327 2.323 0 40 BEAB CC(=O)N1CCC(Nc2ccccc2)CC1 37186006 MQODVIREANLFQM-UHFFFAOYSA-N 218.300 2.109 0 40 BEAB in-vitro CN(CCN)Cc1ccc(Cl)cc1Cl 37267987 QHVZHXVHFVJGKC-UHFFFAOYSA-N 233.142 2.384 0 40 BEAB CCOC(=N)c1c(OC)cc(OC)cc1OC 37928174 CACHEZTYHQXSON-UHFFFAOYSA-N 239.271 2.074 0 40 BEAB CCN(CC)[C@@H](CN)c1ccccc1F 38901293 IPHWARRUKJJLTB-LBPRGKRZSA-N 210.296 2.167 0 40 BEAB CCN(CC)CC(=O)Nc1cccc(F)c1 40461076 CFCPLJLRWYUJBU-UHFFFAOYSA-N 224.279 2.106 0 40 BEAB CCN(Cc1ccncc1)C[C@@H]1CCCCN1 42516892 RFGXYCRSVWLKLU-AWEZNQCLSA-N 233.359 2.046 0 40 BEAB C[C@H](CC(=O)O)CC(=O)c1ccc(N(C)C)cc1 43214232 UVNQRRQNYLYJGE-JTQLQIEISA-N 249.310 2.436 0 40 BEAB CCCC(=O)Nc1cccnc1N1CCCC1 47225533 JTOWAQNCLQKHNE-UHFFFAOYSA-N 233.315 2.420 0 40 BEAB O=C(O)C1(c2cc(F)cc(F)c2)CCC1 49351238 CPMKQTLHCVUBED-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB COc1ccccc1S[C@H]1CCNC1 51784167 FXCGEPDSLSWIKM-VIFPVBQESA-N 209.314 2.149 0 40 BEAB Clc1ccc(OC[C@H]2CCCN2)cc1 54320209 PPUUPDHCDRWAEB-SNVBAGLBSA-N 211.692 2.471 0 40 BEAB O[C@H](c1cc(F)cc(F)c1)c1ccccn1 55201221 CLWPJAZARJLYNB-GFCCVEGCSA-N 221.206 2.442 0 40 BEAB CCCNC(=O)CCn1nc(C)c2ccccc21 57279373 CHICJMOALFMAAY-UHFFFAOYSA-N 245.326 2.261 0 40 BEAB O=C(O)C1(Cc2ccccc2F)CCOCC1 61674687 REIIWSBGQGVJRI-UHFFFAOYSA-N 238.258 2.250 0 40 BEAB COC(=O)COc1ccnc2c(C)ccc(F)c12 64874859 GOYYHZDFSUTEJN-UHFFFAOYSA-N 249.241 2.234 0 40 BEAB COc1ncc(I)cc1C 71244815 BTFSHHNPEBUFHH-UHFFFAOYSA-N 249.051 2.003 0 40 BEAB CCCNc1ccc(C2=NCCC2)cn1 72213175 TVEJSVYURJOVEK-UHFFFAOYSA-N 203.289 2.486 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccncc1C 72219508 UCOZINOMUWYJBH-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB Cc1nccc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72344670 PRQWDWOJZBPIJO-GFCCVEGCSA-N 247.342 2.147 0 40 BEAB Cc1cc(C)nc(N2CCC[C@H]2c2cc[nH]n2)n1 72357275 MLDQTVBCCDCQRV-LBPRGKRZSA-N 243.314 2.158 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN(C2CCOCC2)C1 72381925 VPFCUMNUBKIIQW-LBPRGKRZSA-N 249.358 2.077 0 40 BEAB O=C(O[C@@H]1CCSC1)c1ccncc1Cl 75028725 WCRFWLGFKOJDFK-SSDOTTSWSA-N 243.715 2.397 0 40 BEAB Cc1ccc2c(c1)nc(-c1ccc(=O)[nH]c1)n2C 75120266 MYNQVGRAYYXKMJ-UHFFFAOYSA-N 239.278 2.237 0 40 BEAB CCCN(CC(=O)O)c1ccccc1C 76583961 IXYMWCUXINFPEH-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB CC(C)NC[C@@H]1CCCN2CCCC[C@H]12 79124028 HJRYJEQUBFLNGH-QWHCGFSZSA-N 210.365 2.249 0 40 BEAB biogenic CCCCCNC(=O)COc1ccccc1O 84743183 WOYFLPMWJIESJO-UHFFFAOYSA-N 237.299 2.077 0 40 BEAB CC[C@@](C)(CCO)NCc1nc(C)cs1 95416722 QGTOUTXHZSMNCH-NSHDSACASA-N 228.361 2.092 0 40 BEAB Cc1nc(CN2C[C@@H]3C[C@@H](C)O[C@@H]3C2)cs1 96045713 IGRAPARDJKFZDB-UBHAPETDSA-N 238.356 2.061 0 40 BEAB C1CCC2(C1)CN(c1nc(C3CC3)no1)CCO2 96476896 WNAYINULXGPFMH-UHFFFAOYSA-N 249.314 2.096 0 40 BEAB Fc1ccc2c(c1)c(Cl)nc1cnnn12 96516158 KKVHROOAYURGBB-UHFFFAOYSA-N 222.610 2.070 0 40 BEAB CCN(CC)CCN[C@H]1CCCC[C@H]1C 97050798 JCWCSKATCIVJMM-OLZOCXBDSA-N 212.381 2.497 0 40 BEAB CC(C)[C@@H]1C(=O)NN(c2ccccc2)C1=S 97978618 USDORNPMKKIIDP-SNVBAGLBSA-N 234.324 2.137 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](N)C1CCCC1 98095698 YMJKXSPQOOJCBY-SNVBAGLBSA-N 228.336 2.029 0 40 BEAB in-vitro CC(=O)N1CCc2c(Cl)cccc2C1 98179228 IUNLJFBKLBFDAI-UHFFFAOYSA-N 209.676 2.245 0 40 BEAB NC(=O)c1c(N)sc2c1-c1ccccc1CC2 100653954 WYZBOZGEAWLMIK-UHFFFAOYSA-N 244.319 2.195 0 40 BEAB CN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100809440 BAKQGMLJAGYMQC-PHIMTYICSA-N 242.363 2.384 0 40 BEAB CN(C)C(=O)OCCSC1CCCC1 129919293 UKAYXPIANCQUEQ-UHFFFAOYSA-N 217.334 2.360 0 40 BEAB COc1cccc([C@@H]2CCCC[C@H]2NN)c1 199539021 OPIJBJZARGJXGX-QWHCGFSZSA-N 220.316 2.185 0 40 BEAB c1ccc(CCN2CCN[C@H]3CCC[C@H]32)cc1 218840552 YOPZJKSQSZBINE-LSDHHAIUSA-N 230.355 2.055 0 40 BEAB CCCn1cc(CNCCCOC(C)C)cn1 227281295 AYDGSODFRFGBMJ-UHFFFAOYSA-N 239.363 2.198 0 40 BEAB NC[C@H](C[C@H](N)c1ccccc1)C(F)(F)F 256051006 HIWLTYLVNHJCAY-UWVGGRQHSA-N 232.249 2.214 0 40 BEAB CCCn1cc(NCc2cc(C)nn2C)c(C)n1 256052371 NBAPZIDOJKVHPY-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CC(C)(F)c1nc(Cc2cscn2)no1 273752685 PZYPOEIZYFECES-UHFFFAOYSA-N 227.264 2.322 0 40 BEAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1CF 294153727 RRQCLMVUYWZSAP-QWRGUYRKSA-N 211.280 2.303 0 40 BEAB Cc1nc2cc(C(=O)N(C)C)ccc2s1 408980448 WQJDTGOXQLBULW-UHFFFAOYSA-N 220.297 2.307 0 40 BEAB Cc1nccnc1OC1CCSCC1 585652412 ZOJHBSLKUVYJSY-UHFFFAOYSA-N 210.302 2.059 0 40 BEAB Cc1nnc(NC[C@]2(C)CC2(F)F)s1 664401797 VZWTXTXAPUDCLR-ZETCQYMHSA-N 219.260 2.304 0 40 BEAB CC(C)NC(=O)[C@H]1C[C@H]1c1ccccc1 482631 DDEQUIASKFRODF-RYUDHWBXSA-N 203.285 2.315 0 40 BEAB Cc1nnsc1Sc1ccccn1 1385545 HDDGGIGDYXLRNJ-UHFFFAOYSA-N 209.299 2.393 0 40 BEAB CC(C)C(=O)O[C@H](C)[C@@H](C)OC(=O)C(C)C 1583994 RHWMVKOPNPKKPF-NXEZZACHSA-N 230.304 2.162 0 40 BEAB Nc1ccc([C@@H](C(=O)O)c2ccccc2)cc1 1597902 QBRNBNXTYYYOBH-ZDUSSCGKSA-N 227.263 2.485 0 40 BEAB COc1cc2c(cc1OC)CN(C)[C@@H](C)C2 1665749 FPKSKXFZCSATTG-VIFPVBQESA-N 221.300 2.080 0 40 BEAB C[C@H]1CC[C@@H](n2cnc3c(Cl)ncnc32)O1 1694517 QPUVEEMQGWMVIY-BQBZGAKWSA-N 238.678 2.177 0 40 BEAB CCOC(=O)CC(=O)Cc1ccc(Cl)cc1 2518202 JOEFETLDNZHBHE-UHFFFAOYSA-N 240.686 2.405 0 40 BEAB Nc1cc(N)cc(C(=O)Nc2ccccc2)c1 2765667 FAZUJENRJHAFFC-UHFFFAOYSA-N 227.267 2.103 0 40 BEAB CCCCC[C@H](O)/C=C/[C@H](C)C(=O)OC 3075312 PKOPGYCMWCGUFR-WRSFFWLLSA-N 214.305 2.293 0 40 BEAB COc1c(C)c(C)c(OC)c(C(=O)O)c1C 3847150 UCEUSYURLZSDFH-UHFFFAOYSA-N 224.256 2.327 0 40 BEAB biogenic C[C@H](CC(=O)O)CC(=O)N[C@@H](C)c1ccccc1 4690885 IFZUSRLWTZPENL-QWRGUYRKSA-N 249.310 2.365 0 40 BEAB CCn1c(CCC(=O)O)nc2ccccc21 4942657 YVVWQGCFZIFAKT-UHFFFAOYSA-N 218.256 2.073 0 40 BEAB O=C1CCCC[C@@H]1Sc1ncccn1 6865142 BOVJZZRUUDXJAG-VIFPVBQESA-N 208.286 2.080 0 40 BEAB CONC(=O)Cc1ccc(Cl)c(Cl)c1 9836394 IGZRMGLSFNEPCD-UHFFFAOYSA-N 234.082 2.214 0 40 BEAB CC(C)c1csc(NC(=O)c2cnccn2)n1 10637434 LXNGUEZRVCQJNP-UHFFFAOYSA-N 248.311 2.309 0 40 BEAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCNC2)n1 19686166 VTNABKZXZNNMOK-MRVPVSSYSA-N 245.248 2.271 0 40 BEAB Cc1cc(-n2nnc3ccccc32)ccn1 19924005 SRZITBTYXDZOSP-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB O=C(O)c1cc(N2CCCC2=O)ccc1Cl 20271196 FMANDRBVPFNKJE-UHFFFAOYSA-N 239.658 2.165 0 40 BEAB O=c1ccc(-c2ccc(Cl)s2)n[nH]1 26420439 CCUDPJRJYMOUDL-UHFFFAOYSA-N 212.661 2.152 0 40 BEAB CN[C@H](C(=O)O)c1cccc(C(F)(F)F)c1 37181071 QSWHCDSVKKADMG-QMMMGPOBSA-N 233.189 2.051 0 40 BEAB COc1ccc(OC)c([C@H](O)c2ccco2)c1 40244868 LPPYVRQQYGPHJP-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB CC(C)=CC(=O)N[C@H](C)Cc1ccco1 40510215 VYTKLTREMINQFC-SNVBAGLBSA-N 207.273 2.293 0 40 BEAB C[C@H]1CCN(c2ccc(C(=O)O)cc2)C1 40718589 TWILPNYGUYVPFD-VIFPVBQESA-N 205.257 2.231 0 40 BEAB CC(C)Oc1ccc(CNC(=O)C2CCC2)cn1 48515379 YSPJPHIKBGAJBG-UHFFFAOYSA-N 248.326 2.285 0 40 BEAB c1ccc2sc(O[C@H]3CCNC3)nc2c1 51868419 PHFCNQRCHFEDLO-QMMMGPOBSA-N 220.297 2.037 0 40 BEAB COc1ccc([C@@H](O)c2ccccn2)cc1F 55262823 CZVOARFVBCSBSK-CYBMUJFWSA-N 233.242 2.311 0 40 BEAB Cc1cc(Cl)ccc1C[C@H](C(=O)O)N(C)C 57533805 VJLPQUVZPPRZOZ-LLVKDONJSA-N 241.718 2.206 0 40 BEAB COCC(=O)Nc1cccc(Cl)c1F 57992089 ZXROKRUIDBLVOL-UHFFFAOYSA-N 217.627 2.064 0 40 BEAB OCc1c[nH]c2cccc(Br)c12 59731623 ALSCHTQXMJNCJS-UHFFFAOYSA-N 226.073 2.423 0 40 BEAB c1ccc([C@@H]2CCCN2c2cnccn2)nc1 72381623 JCJKZTOEYASGDR-LBPRGKRZSA-N 226.283 2.213 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@@H](c2cccc(Cl)c2)O1 85394744 GUKUDXDKOLRVKP-PSASIEDQSA-N 240.642 2.029 0 40 BEAB CCC1(CC)CCN(C(=O)[C@]2(C)CCCN2)C1 94802153 XBDYXOBDAPECAY-ZDUSSCGKSA-N 238.375 2.167 0 40 BEAB Oc1ccc(/C=C/c2ccnnc2)cc1F 95974994 QMRXIWWNDYEDKD-OWOJBTEDSA-N 216.215 2.492 0 40 BEAB CC[C@H](O)CN[C@H](C)c1c(F)cccc1OC 95985416 SFMDTOMLNWCFDU-ZJUUUORDSA-N 241.306 2.256 0 40 BEAB Cc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)n1 96013079 VMZUUHRIMZSDTD-NSHDSACASA-N 249.314 2.033 0 40 BEAB Cc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)c(C)o1 96051055 QZCYYMIQEONZEK-CQSZACIVSA-N 249.310 2.149 0 40 BEAB COC(OC)[C@H](F)c1nc2ccccc2[nH]1 96171711 PMIASLDMEPYMHF-SECBINFHSA-N 224.235 2.192 0 40 BEAB CC/C=C(\C)C(=O)NCc1cccnc1N(C)C 96307047 TXGCWCZTJYZOCI-YRNVUSSQSA-N 247.342 2.120 0 40 BEAB O=C(O)COc1cccc(COCC2CC2)c1 96525792 DOVSIGLMZQYVRS-UHFFFAOYSA-N 236.267 2.077 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2CC=CC[C@@H]2C1 98018823 UIVZHBPMADHSCH-VXGBXAGGSA-N 230.311 2.361 0 40 BEAB CCCCCCn1c(=O)[nH]c2ccccc2c1=N 102623364 BAOWLWJQKJHAAC-UHFFFAOYSA-N 245.326 2.389 0 40 BEAB COCc1nc(CSc2ccoc2C)no1 131402880 ZUPFINFALARDQC-UHFFFAOYSA-N 240.284 2.410 0 40 BEAB Cc1ccc2nc(N(C)N)cc(C)c2c1 199550408 MYFXJGCFBJOOON-UHFFFAOYSA-N 201.273 2.162 0 40 BEAB CC(C)(C)OC(=O)Cc1nnc(C(C)(C)C)o1 199830954 XCKNSKAILJJPQE-UHFFFAOYSA-N 240.303 2.251 0 40 BEAB c1cc([C@@H]2CCCN2C2CCCC2)[nH]n1 205701302 WFLZJWBFVGUTPQ-LBPRGKRZSA-N 205.305 2.489 0 40 BEAB COC(=O)c1ncc(C(F)(F)F)cc1C 238355952 HJRCFDGNDHKDCQ-UHFFFAOYSA-N 219.162 2.195 0 40 BEAB CN(Cc1ccno1)C[C@H]1CC=CCC1 561784468 HPSJZKDPVOVBOY-NSHDSACASA-N 206.289 2.463 0 40 BEAB FC(F)(F)COc1nc(C2CC2)ns1 585652035 KDDZXKMKVAAPOX-UHFFFAOYSA-N 224.207 2.357 0 40 BEAB FC(F)(F)c1nnc2cccc(Cl)n12 1848350262 DKUZNGGOMKPDCI-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)n1 32909724 WRIDRECWQBRKKC-JTQLQIEISA-N 218.300 2.261 0 40 BEAB CC(C)(C)NC[C@H]1CO[C@H](c2ccccc2)O1 3010051 IWFPJSASCSZFCH-STQMWFEESA-N 235.327 2.489 0 40 BEAB Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 570382 OOPLRJVJUNAQIG-UHFFFAOYSA-N 238.246 2.069 0 40 BEAB CCOc1ccc2[nH]cc(CCN)c2c1 8325048 HWNPGCPKNYFXMA-UHFFFAOYSA-N 204.273 2.068 0 40 BEAB CCc1cc2c(=O)[nH]c(N3CCCC3)nc2s1 8684338 BEDUBZHBHWDQDV-UHFFFAOYSA-N 249.339 2.147 0 40 BEAB COc1ccc(C)cc1[C@@H](C)NC(C)=O 23923660 BXXSIRKVGDOVRV-SECBINFHSA-N 207.273 2.201 0 40 BEAB CCNC(=O)COc1cccc2ccccc12 3386278 CCQQLLKTUMDRNM-UHFFFAOYSA-N 229.279 2.355 0 40 BEAB aggregator CCCc1nc([C@H](N)c2ccccc2)no1 36763117 TZZYEMOMCNGQRP-LLVKDONJSA-N 217.272 2.070 0 40 BEAB in-vitro Cc1c(Br)cnn1CC(F)F 408715940 GZMBXISVRBKJFW-UHFFFAOYSA-N 225.036 2.219 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cn1 13746844 RBKWRERYPKKKEE-HTRCEHHLSA-N 210.664 2.330 0 40 BEAB COc1ccc(OC)c([C@H](O)C(F)(F)F)c1 42268307 ISIIPOVLZDIXRW-VIFPVBQESA-N 236.189 2.300 0 40 BEAB FC(F)(F)c1nccc(Br)n1 66351584 RHJLTOVSJKKHLY-UHFFFAOYSA-N 226.983 2.258 0 40 BEAB in-vitro CCOCC(=O)N1c2ccccc2C[C@@H]1C 9095483 FHMYYYAGGYHQER-JTQLQIEISA-N 219.284 2.001 0 40 BEAB NC(=S)c1ccccc1CN1CCCCC1 19478144 VOAUVFWGKYFPEU-UHFFFAOYSA-N 234.368 2.307 0 40 BEAB CC1(C)CCC[C@H]1NCc1ccc(C(N)=O)cc1 94265983 JSILWHRYCSJIIN-CYBMUJFWSA-N 246.354 2.454 0 40 BEAB Nc1c(Cl)ccc(Br)c1N 97439047 CMKDPCHKJRWRKB-UHFFFAOYSA-N 221.485 2.267 0 40 BEAB CCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 74754243 OLKFPGBADPLVGB-AWEZNQCLSA-N 247.338 2.257 0 40 BEAB CCNCc1cc(-c2ccc(OC)cc2)[nH]n1 66113026 DWNWQRGDWASBHM-UHFFFAOYSA-N 231.299 2.195 0 40 BEAB O=C1N[C@@H](c2ccc(Br)cc2)CO1 71783035 ZMFGCUVSMQUNBH-MRVPVSSYSA-N 242.072 2.230 0 40 BEAB NC1CCC(OCc2ccccc2)CC1 39647738 QEJZOTXVZFPSPN-UHFFFAOYSA-N 205.301 2.473 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@H]2C(C)=O)c1 34972948 DNDDIBPBVGGZAD-QWHCGFSZSA-N 220.268 2.396 0 40 BEAB CC[C@H](c1ccccc1)N(C)CC(=O)O 79421333 QROKEYNNHZUOTA-LLVKDONJSA-N 207.273 2.154 0 40 BEAB CCN(CC)[C@](C)(C(=O)O)c1ccccc1 37360870 FXSGLBFTBCOOQW-ZDUSSCGKSA-N 221.300 2.328 0 40 BEAB O=CNc1ccc2c(c1)-c1ccccc1C2=O 71404323 PBTITEWFZBZQBD-UHFFFAOYSA-N 223.231 2.466 0 40 BEAB COC(=O)c1cc(Br)c(F)nc1C 521399970 JIXFAFALKVKISL-UHFFFAOYSA-N 248.051 2.078 0 40 BEAB CC1(C)COCCN1Cc1ccccc1 41194194 ZIWDKOKXRIPGKJ-UHFFFAOYSA-N 205.301 2.297 0 40 BEAB CCOC(=O)C(F)(F)[C@H](N)c1cccc(F)c1 199566655 QWAKYJACYYXICM-SECBINFHSA-N 247.216 2.024 0 40 BEAB CC(C)OCCCNCCC(=O)OC(C)(C)C 47219009 UTASNNLEGQWGLZ-UHFFFAOYSA-N 245.363 2.123 0 40 BEAB CCOc1ccc([C@@H](CO)N2CCCC2)cc1 41265935 PMKVULKWGMDLAQ-CQSZACIVSA-N 235.327 2.215 0 40 BEAB COc1ccc(COC[C@H]2CCCCN2)cc1 43494953 PRWTUNXDWSSXSI-CYBMUJFWSA-N 235.327 2.354 0 40 BEAB CCOC(=O)C(=O)c1ccc(OC)c(C)c1C 43504452 ZSBCZLDINDPTKC-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB Cc1cc(NCCCN)c2cc(F)ccc2n1 222686984 WTLTVDMVEUIYFK-UHFFFAOYSA-N 233.290 2.443 0 40 BEAB COC(OC)c1ccnn1-c1ccccc1 40546697 VQZISWBBQBMWGT-UHFFFAOYSA-N 218.256 2.164 0 40 BEAB CCCN(CC1CC1)C[C@H](N)CCSC 96523872 MYZVIZJQPVCMOH-GFCCVEGCSA-N 230.421 2.189 0 40 BEAB O=C(O)c1ccc(Br)c(S)c1 95097661 CXTJHQNHCRPHAA-UHFFFAOYSA-N 233.086 2.436 0 40 BEAB Cc1ccc(CCN2CCCC[C@H]2CN)cc1 96523603 IYMYONPQPCUSEO-HNNXBMFYSA-N 232.371 2.351 0 40 BEAB CNC(=O)Nc1ccccc1Br 48465782 BBKCGIXOVZMZLD-UHFFFAOYSA-N 229.077 2.200 0 40 BEAB CC(C)C[C@@](C)(N)CNC(=O)OC(C)(C)C 68591683 BUGRYVLNFRVTKG-GFCCVEGCSA-N 230.352 2.275 0 40 BEAB in-vitro Cn1ncnc1COc1cccc(Cl)c1 88583619 OFXOBUYCYJMTRS-UHFFFAOYSA-N 223.663 2.048 0 40 BEAB O=C1O[C@H](Nc2ccccn2)c2ccccc21 19375070 ZWWHJIJWPUEHHW-LBPRGKRZSA-N 226.235 2.363 0 40 BEAB Cc1ccc2ccc3c(c2n1)NCCO3 204916816 NPXFHGQGUUCPRB-UHFFFAOYSA-N 200.241 2.348 0 40 BEAB Cc1ccc(-c2c[nH]nc2N(C)C)cc1 1775986172 YTECDEAHQCBNRZ-UHFFFAOYSA-N 201.273 2.451 0 40 BEAB CCc1ccc(C[C@H](C(=O)O)N2CCCC2)cc1 41299190 RRJAPDNOYVGIEX-CQSZACIVSA-N 247.338 2.341 0 40 BEAB CN(Cc1ccccc1)C1C[C@@H]2CC[C@@H](C1)N2 100387697 DRPLGRDEZSJOCK-KBPBESRZSA-N 230.355 2.401 0 40 BEAB O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCC1 1557353 YZKOQTQCVIICGQ-WOPDTQHZSA-N 205.301 2.211 0 40 BEAB N[C@H]1CCCC[C@H]1N1CCc2ccccc2CC1 78814847 GPDIWTKRSWQQLY-JKSUJKDBSA-N 244.382 2.357 0 40 BEAB CC[C@@H](C)c1cc(N)c(O)c(C(=O)O)c1 3160633 IBUMJRAUSROXER-ZCFIWIBFSA-N 209.245 2.186 0 40 BEAB CN(C)c1ccc(-c2nnc(S)o2)cc1 4973846 ARGALKGRWHCPFE-UHFFFAOYSA-N 221.285 2.091 0 40 BEAB CCN(CC)CCCN1CCC[C@@H](COC)C1 97105643 LOIRCZHQBBNYTD-CQSZACIVSA-N 242.407 2.077 0 40 BEAB Cc1ccccc1-n1nc(C(=O)O)cc1C 8700400 ZUJUFJZISJNDTN-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB O=C(c1cccc(F)c1)c1ccccn1 37464000 BWLDNQFSQDHACL-UHFFFAOYSA-N 201.200 2.452 0 40 BEAB in-vitro CCc1nnc(CN(C)Cc2ccccc2F)o1 69485634 PZQBMMSRZMXOBI-UHFFFAOYSA-N 249.289 2.403 0 40 BEAB CO[C@H](CN)c1ccc(C(F)(F)F)cc1 62711444 SZLGUFFPYGMAFW-SECBINFHSA-N 219.206 2.352 0 40 BEAB CC(C)CC(=O)N[C@@H](C)Cc1ccco1 44443793 WRRJITKUQKNRHY-JTQLQIEISA-N 209.289 2.373 0 40 BEAB Cc1ccoc1C(=O)Nc1cccc(CO)c1 37980270 ZCTYDEUISFALMU-UHFFFAOYSA-N 231.251 2.333 0 40 BEAB Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCO1 12982566 UOFWAPXVZQBOSB-DGCLKSJQSA-N 233.311 2.351 0 40 BEAB Cc1ccc(-n2ncc(C(=O)N(C)C)c2C)cc1 12951539 SZABBTVHONYOFK-UHFFFAOYSA-N 243.310 2.191 0 40 BEAB CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69530178 KUUYSXQZLCCTRM-ZDUSSCGKSA-N 233.311 2.433 0 40 BEAB O=C1Oc2ccccc2[C@]2(O)[C@H]3CCCC[C@@H]3[C@H]12 4114250 RQWNVDAJWFMNDY-UOJCWERNSA-N 244.290 2.229 0 40 BEAB O=C(CCC1CCCC1)Nc1nncs1 5705314 NQBXVROUYCZCBW-UHFFFAOYSA-N 225.317 2.447 0 40 BEAB CCc1cc(C(=O)O)nn1Cc1ccccc1 71534553 XDFBAVKLTRQXTA-UHFFFAOYSA-N 230.267 2.192 0 40 BEAB CC[C@@H](c1ccccc1)N(CC(=O)OC)C(C)=O 90687025 CUANNSHSLHLLLC-ZDUSSCGKSA-N 249.310 2.159 0 40 BEAB O=c1c2ccccc2nc2sc(C3CC3)nn12 16972755 ARCMQQVFCAKTCD-UHFFFAOYSA-N 243.291 2.182 0 40 BEAB CC(=O)N1CC[C@@H](Cc2ccc(Cl)nc2)C1 72343882 YNSZOJHWJQAAPV-NSHDSACASA-N 238.718 2.146 0 40 BEAB COC(=O)c1nsc2cc(OC)ccc12 96301140 RXDFCWVEJBGZAC-UHFFFAOYSA-N 223.253 2.092 0 40 BEAB in-vitro CC(C)Cn1cc(N[C@@H]2CCO[C@H]2C)cn1 97038675 QXNFVPZDQOOKFI-CMPLNLGQSA-N 223.320 2.128 0 40 BEAB Cc1nc(CONC(=O)C(C)(C)C)cs1 95395790 NZOSQZZHEZGRMJ-UHFFFAOYSA-N 228.317 2.045 0 40 BEAB COC(=O)c1cccc2c1O[C@H](C)[C@@H]2C 73193844 JSLIOTYZZRXGLQ-JGVFFNPUSA-N 206.241 2.358 0 40 BEAB Cn1cc(-c2cc3ccccn3c2C=O)cn1 35655626 ZHMMXNXHRTVOEG-UHFFFAOYSA-N 225.251 2.152 0 40 BEAB Cc1nccc([C@H]2CCCN(C(C)C)C2)n1 72348353 DUAHZOXHCXGCGS-LBPRGKRZSA-N 219.332 2.373 0 40 BEAB OCCOC[C@@H]1CCCCN1Cc1ccccc1 79390544 ZSLPPTNIOXWNFI-HNNXBMFYSA-N 249.354 2.050 0 40 BEAB CCCS(=O)(=O)Nc1ccc(C)cc1C 45929251 WWHGLERZTHQKKN-UHFFFAOYSA-N 227.329 2.455 0 40 BEAB COc1ccc(-c2ccc(CN)cn2)cc1 83251473 AXPYLLOUKKSDEZ-UHFFFAOYSA-N 214.268 2.216 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCN(C)c2ccc(F)cc21 81074414 UBFVARLRHWGQHG-MWLCHTKSSA-N 248.301 2.265 0 40 BEAB OCc1cccn1Cc1cccc(F)c1 85587768 QDQTTYKABKQVDX-UHFFFAOYSA-N 205.232 2.168 0 40 BEAB C[C@H](N)c1nc(-c2ccccc2Cl)n[nH]1 82510281 XECPOLZEYCMZPJ-LURJTMIESA-N 222.679 2.145 0 40 BEAB CO[C@@H](C)c1nc(Cl)cc(Cl)n1 86574358 JULSPDFQDUUWSL-BYPYZUCNSA-N 207.060 2.491 0 40 BEAB Cc1noc(C)c1Cn1cc(-n2cccc2)cn1 98016368 PLLLCFDNLCHXAD-UHFFFAOYSA-N 242.282 2.327 0 40 BEAB CONC(=O)NCc1oc2ccccc2c1C 96406800 NAGOFUKQMFCLGG-UHFFFAOYSA-N 234.255 2.102 0 40 BEAB Oc1cnn(-c2cccc(Br)c2)c1 96510724 LNYSTAYKYMSSMH-UHFFFAOYSA-N 239.072 2.340 0 40 BEAB CSc1nccc(-c2ccc(N)cc2)n1 91695962 DFEYMEPFBCFBAY-UHFFFAOYSA-N 217.297 2.448 0 40 BEAB O=C(O)Cc1nc(Cl)nc2c(F)cccc12 257946564 CPWCQLVUSOPDRT-UHFFFAOYSA-N 240.621 2.049 0 40 BEAB Cc1cnn(CCF)c1NCc1cccc(O)c1 256051644 JZUXSRURHFDAIX-UHFFFAOYSA-N 249.289 2.479 0 40 BEAB Nc1cccc(C2(C(F)(F)F)N=N2)c1 34406209 OFNZVAOBGWMWBY-UHFFFAOYSA-N 201.151 2.450 0 40 BEAB in-vitro O=C1CCCc2cc(Br)cnc21 95642446 CWFXXVRLJLOYLP-UHFFFAOYSA-N 226.073 2.363 0 40 BEAB COC(=O)c1ccc(C(=O)[C@@H](C)Cl)cc1 380056132 YJUXFQPYIDYECV-SSDOTTSWSA-N 226.659 2.283 0 40 BEAB O=C(O)CCc1ccc(O)c(Cl)c1 43476834 WCFMGDDKGCCBRK-UHFFFAOYSA-N 200.621 2.063 0 40 BEAB in-vitro O=C(NCc1ccccn1)NCc1cccs1 48727677 CPVVEWIQGRTXKZ-UHFFFAOYSA-N 247.323 2.143 0 40 BEAB CCC[C@](C)(NC1CCSCC1)C(=O)O 83404413 NBKIQEFANCSMMH-NSHDSACASA-N 231.361 2.115 0 40 BEAB Cc1ccc(CN[C@H]2CCO[C@H]2C)cc1 96033518 UXKPGMDJYATICD-AAEUAGOBSA-N 205.301 2.262 0 40 BEAB COC(OC)c1ccc(Cl)c(N)c1 1083812453 CWSGRCNISCSLEJ-UHFFFAOYSA-N 201.653 2.214 0 40 BEAB O=C(O)c1ccc(OC(F)(F)F)c(Cl)n1 118601427 UCKNUDYLYARNPG-UHFFFAOYSA-N 241.552 2.332 0 40 BEAB C[S@@](=O)Cc1cc(-c2ccccc2)no1 5760410 XXJYFHASDKNSTD-HNNXBMFYSA-N 221.281 2.220 0 40 BEAB N[C@@H](c1ccc(F)cc1)c1ccccn1 11737313 ZGFGIMCENHJDFB-LBPRGKRZSA-N 202.232 2.269 0 40 BEAB Cc1ccc(NC(=O)C2=COCCO2)cc1C 16031931 KNMQKEYISGEJTR-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB O=C(C1CCCC1)N1CCC[C@@H]1c1cnccn1 205707117 YLVHOHZPBVSJJK-CYBMUJFWSA-N 245.326 2.330 0 40 BEAB CC1(CO)CN(c2cc(C(C)(C)C)ccn2)C1 641620553 CTHKXUOVYNVPQG-UHFFFAOYSA-N 234.343 2.198 0 40 BEAB FC1(F)CCN(c2nc3ccccc3[nH]2)C1 334374776 UMCKZLWNOJKBOG-UHFFFAOYSA-N 223.226 2.408 0 40 BEAB O[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 575607098 UTQREKASYJEKDV-CYBMUJFWSA-N 230.311 2.125 0 40 BEAB Cc1cccc(NC(=O)c2cnn(C)c2)c1C 375780 WJHDPSWAEXWBMD-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1 4084284 LLKJMRLJZNSQLY-UHFFFAOYSA-N 246.188 2.146 0 40 BEAB C1CCN2C[C@@H]3CCCN4CCC[C@H]([C@@H]2C1)[C@H]34 5085265 UENROKUHQFYYJA-XGUBFFRZSA-N 234.387 2.345 0 40 BEAB biogenic CCc1nnc2sc(-c3ccccc3)nn12 5912029 GERFDTDTIPXKKN-UHFFFAOYSA-N 230.296 2.415 0 40 BEAB CCCNC(=S)Nc1ccc2c(c1)OCO2 7521836 LEWKJFRVAZLCKL-UHFFFAOYSA-N 238.312 2.112 0 40 BEAB COc1ccc(C(=O)Nc2cc(C)ccn2)cn1 9314284 VTUUHXIKYIGFPZ-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)o1 9377502 AWPCLXPXZAUNOU-QMMMGPOBSA-N 207.273 2.425 0 40 BEAB CCCOc1cccc(C(=O)NC2CC2)c1 13329227 SNRBMMKMMHPOJJ-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB N[C@@H]1COc2c(Cl)cc(Cl)cc2C1 16083041 GXCBWMMYGZXYSB-ZETCQYMHSA-N 218.083 2.256 0 40 BEAB CSc1cc(C(F)(F)F)cc(=O)[nH]1 19926744 ZNGMVFQNKKBSEO-UHFFFAOYSA-N 209.192 2.116 0 40 BEAB NC(=S)Nc1cc(Cl)cc(Cl)c1O 20154619 ZTQSWFKESUFSNT-UHFFFAOYSA-N 237.111 2.355 0 40 BEAB Nc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1 20157184 QAKPYZOVYDUFHO-SNVBAGLBSA-N 240.690 2.040 0 40 BEAB Cc1cc(-n2ccnc2)c2cccc(O)c2n1 21984893 SOJUHQVMWVAPJB-UHFFFAOYSA-N 225.251 2.435 0 40 BEAB CCOc1ccccc1CN1CCC[C@@H](CO)C1 23115148 IMQFQSKXUWEILS-CYBMUJFWSA-N 249.354 2.290 0 40 BEAB O=C(CCc1ccsc1)NCc1cccnc1 25132951 ILXCIIGFMPDOKL-UHFFFAOYSA-N 246.335 2.392 0 40 BEAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cn1 32895494 GSLGSFFSLGSIOW-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB CCCCN1CCC(C(=O)OCC)CC1 34061952 UJPGQLOTFJLIKE-UHFFFAOYSA-N 213.321 2.062 0 40 BEAB in-vitro CCOC(=O)COc1ccc(C)cc1C(C)=O 35205792 HVWWVNAQQNTWKF-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB O=C(Nc1cn[nH]c1)Oc1ccccc1 35764555 UMXACRORSCJJDF-UHFFFAOYSA-N 203.201 2.021 0 40 BEAB in-vitro Cc1ccc(CN[C@H]2CCCCNC2=O)cc1C 37282787 WGAKSUPABODWDW-AWEZNQCLSA-N 246.354 2.062 0 40 BEAB CCN(CC)[C@H](CN)c1ccc(F)cc1 38808975 APQKMJFBSXTSDZ-GFCCVEGCSA-N 210.296 2.167 0 40 BEAB COc1ccc(C(=O)N(C)C2CCCCC2)cn1 40476494 MHSOYPBDSWEHLR-UHFFFAOYSA-N 248.326 2.495 0 40 BEAB CC(C)=CCN(CCC(N)=O)Cc1ccccc1 40477304 LCSWOLHRUSXTNX-UHFFFAOYSA-N 246.354 2.330 0 40 BEAB CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 48368200 ZAWZAZYKSWXFAS-ZDUSSCGKSA-N 223.291 2.437 0 40 BEAB CCOc1cccc(NC(=O)c2cc(C)n[nH]2)c1 48736885 BSLJYYJKLFMKIU-UHFFFAOYSA-N 245.282 2.369 0 40 BEAB NC(=O)[C@@H](NC[C@H]1CC=CCC1)c1ccccc1 49283078 JFKHXPUEBHNNOM-JSGCOSHPSA-N 244.338 2.159 0 40 BEAB Cc1ccc(-n2cccc(C(=O)O)c2=O)cc1C 49831278 ZDISEPCGCPEXDR-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB CCCCC1C(=O)OC2(CCCC2)OC1=O 59488106 JDZVGSANUYOOJT-UHFFFAOYSA-N 226.272 2.163 0 40 BEAB Cc1cnn(CCNc2nc3ccccc3o2)c1 69743821 PCHBZVCGQKESSJ-UHFFFAOYSA-N 242.282 2.445 0 40 BEAB CC(C)(C)CC(=O)NC[C@@](C)(O)c1ccccc1 70639504 ADUXJRVKKJUCRG-OAHLLOKOSA-N 249.354 2.447 0 40 BEAB Nc1ccc(-c2nc(C=O)cs2)cc1 71618453 IJVSSFOJSKMMJC-UHFFFAOYSA-N 204.254 2.205 0 40 BEAB CC(C)N1CCC[C@@H]1c1cccnc1O 72212305 JSIOOQLHXJQQKO-LLVKDONJSA-N 206.289 2.333 0 40 BEAB NCc1ccccc1OCCC(F)(F)F 80936527 MYFOSTGYBZREFP-UHFFFAOYSA-N 219.206 2.477 0 40 BEAB CCCn1cc(NCc2cccn2C)cn1 90191702 IMZVBRAJNPMGAV-UHFFFAOYSA-N 218.304 2.244 0 40 BEAB CC(C)(C)C[C@@H](O)CN[C@@H]1CCCSC1 95454555 SXCCVSNDJSAWEL-GHMZBOCLSA-N 231.405 2.269 0 40 BEAB Cc1ccc(C(=O)CSCC(=O)O)cc1F 95634325 QFPDICZJZKVHAE-UHFFFAOYSA-N 242.271 2.135 0 40 BEAB C[C@@H](NC(=O)C1CC=CC1)C(C)(C)CN(C)C 96449607 VNLAYUPASZOZTK-LLVKDONJSA-N 238.375 2.045 0 40 BEAB O=C(CCC(F)(F)F)NC[C@H]1CCCS1 96462149 MEKWVGAGNYBWFQ-SSDOTTSWSA-N 241.278 2.341 0 40 BEAB CC[C@H](NCCn1ccnc1)c1c(C)noc1C 97111102 RFYCFBKSRKBLJX-LBPRGKRZSA-N 248.330 2.229 0 40 BEAB COC(=O)c1ccc(Nc2ccc(C)nc2)nc1 98175395 BTSPAKBRZHDVHU-UHFFFAOYSA-N 243.266 2.315 0 40 BEAB O=C(O)[C@@H]1[C@H]2c3cccc4c3C(=C[C@H]12)CC4 100813682 SFWSQHBBVROHCX-DRZSPHRISA-N 212.248 2.444 0 40 BEAB CC[C@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 148363945 AREPFWVWZHSJPD-DTWKUNHWSA-N 243.303 2.249 0 40 BEAB CC(C)(C)C(=O)OCSC1CCOCC1 191210849 TWZAEPXTHNUJDW-UHFFFAOYSA-N 232.345 2.445 0 40 BEAB COCCCNCc1ccn(C(C)(C)C)c1 223695792 MHDFQABQOQUTGH-UHFFFAOYSA-N 224.348 2.369 0 40 BEAB CC[C@@H](C)n1c(CCOC)ccc1C(=O)OC 226030487 UIEYZNPNYKDTGA-SNVBAGLBSA-N 239.315 2.435 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](CN)C[C@@H](C(F)(F)F)C[C@H]2O1 242495139 FWJZILYJODZJNY-JDDHQFAOSA-N 237.265 2.327 0 40 BEAB COCc1sccc1C(=O)N1CC(C)(F)C1 632803976 NPBOJEFPLQQXIU-UHFFFAOYSA-N 243.303 2.079 0 40 BEAB CCCC[C@@H](CC)C(=O)OCC(C)=O 919223345 UFCXXOIYFKIAKY-SNVBAGLBSA-N 200.278 2.335 0 40 BEAB Cn1ccc(-c2cc(N)c3ccccc3n2)n1 1548919112 DUVCNETXUQWNNW-UHFFFAOYSA-N 224.267 2.218 0 40 BEAB CCOC(=O)c1[nH]c2c(c1N)CCCCC2 1772715295 QNUIVDOJSYEMLL-UHFFFAOYSA-N 222.288 2.043 0 40 BEAB C[C@H]1C[C@@H]2Oc3ccc(Cl)cc3C(=O)N2O1 4213787 OJGJQQNLRVNIKE-WKEGUHRASA-N 239.658 2.225 0 40 BEAB in-man CNC(=O)Nc1ccc2nc(C)sc2c1 479778 UWYUXHMZQUHAKU-UHFFFAOYSA-N 221.285 2.356 0 40 BEAB NC[C@H](c1ccc(Cl)cc1)n1ccnc1 42947305 ZPGHKIHSABSGNS-LLVKDONJSA-N 221.691 2.085 0 40 BEAB CC(C)c1ccc(NC(=O)c2c[nH]nn2)cc1 108285896 QZFYMAALHVUONB-UHFFFAOYSA-N 230.271 2.180 0 40 BEAB COCc1ccc([C@H]2CCCN2C(=O)C2CC2)o1 97147891 WXCXOJBKMHVYJQ-GFCCVEGCSA-N 249.310 2.500 0 40 BEAB O=C(OCC[C@H]1CCCCN1)c1ccccc1 1997810 CSPRDNCAADKCLW-CYBMUJFWSA-N 233.311 2.376 0 40 BEAB CN1CCc2ccc(Br)cc2C1=O 71494623 BPFFTXBYFQNXNI-UHFFFAOYSA-N 240.100 2.077 0 40 BEAB Nc1ncc(CNCc2ccccc2Cl)cn1 62717359 QMEDIZHWJPSAOP-UHFFFAOYSA-N 248.717 2.002 0 40 BEAB CC[C@@H](CO)NCc1ccccc1Cl 5651139 OGFBATFFPAVFKT-JTQLQIEISA-N 213.708 2.201 0 40 BEAB Cc1ccccc1-c1noc([C@H]2CCNC2)n1 62119579 IOFYPOWALXFISG-JTQLQIEISA-N 229.283 2.122 0 40 BEAB CCCC[C@H]1CCC[C@H]1NC(=O)COC 68710557 OUJYZIBTFZBTPL-WDEREUQCSA-N 213.321 2.108 0 40 BEAB O=Cc1cn(-c2cccc(Cl)c2Cl)nn1 83255296 ODALYNTXJZJHIS-UHFFFAOYSA-N 242.065 2.387 0 40 BEAB in-vitro CCCC[C@@H](CC)C(=O)N1CCCNCC1 20481611 VGDCTWFMINIRDW-GFCCVEGCSA-N 226.364 2.025 0 40 BEAB CCCN(C)[C@@H](CO)c1ccc(OC)cc1 71904395 UXWJXMFBOMYVTK-ZDUSSCGKSA-N 223.316 2.070 0 40 BEAB CC[C@@](C)(CO)NC(=O)c1cc(C)cc(F)c1 97081757 BFESHWNYPZDLRI-ZDUSSCGKSA-N 239.290 2.025 0 40 BEAB Cc1csc(COC(=O)C2=CCCCO2)n1 95426899 JHNABGATIDZVKE-UHFFFAOYSA-N 239.296 2.189 0 40 BEAB c1cn(Cc2nc(C3CC3)no2)nc1C1CC1 95438636 DJFGYZZCCVUBNN-UHFFFAOYSA-N 230.271 2.069 0 40 BEAB Nc1[nH]ncc1-c1ccnc2ccccc12 95836922 CEQBFPXGFSEYRP-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vitro O[C@@H]1CCCC[C@H]1N1Cc2ccccc2C1 50911828 SYBQYINEYVTRKR-ZIAGYGMSSA-N 217.312 2.306 0 40 BEAB CCC[C@@H](N)CN(C)Cc1ccccc1 36873531 SCUBACUEIDDAIL-CYBMUJFWSA-N 206.333 2.246 0 40 BEAB COc1ccc([C@H](O)[C@@H](O)c2ccccc2)cc1 3852410 JDBJGKZPEUFETH-GJZGRUSLSA-N 244.290 2.462 0 40 BEAB biogenic COC(=O)c1ccc2nc(Cl)[nH]c2c1 34632910 USTUYGJVCPXGJG-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB CCCCC(=O)NC[C@H](O)c1ccccc1C 79028528 IYJQYYKBZIJDNY-ZDUSSCGKSA-N 235.327 2.335 0 40 BEAB Oc1ccc(Br)c2ocnc12 2362801648 MPTJGTMASDHYJX-UHFFFAOYSA-N 214.018 2.296 0 40 BEAB CCCS(=O)(=O)Nc1ccccc1OCC 45929247 AROVVAHRAMDXFA-UHFFFAOYSA-N 243.328 2.237 0 40 BEAB CC(C)NC(=S)Nc1ccccc1O 47080977 WRBYUYVLIGFZAO-UHFFFAOYSA-N 210.302 2.087 0 40 BEAB Cc1n[nH]c(Sc2ccc(Cl)cc2N)n1 41062467 RHZXMYHHYYVWLJ-UHFFFAOYSA-N 240.719 2.500 0 40 BEAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)ncn2C 225892295 XOYLIATXSFZLGQ-SNVBAGLBSA-N 245.326 2.492 0 40 BEAB Cc1nccn1CCCNC[C@@H]1C[C@H]2C=C[C@@H]1C2 195537159 BKLYYGDFUQLEKM-ZNMIVQPWSA-N 245.370 2.383 0 40 BEAB O=C([C@H]1CCCOC1)N1CCc2ccc(F)cc21 89807215 SMTDIDDYBROVFC-NSHDSACASA-N 249.285 2.141 0 40 BEAB Cc1nc2n(n1)[C@H](c1cccs1)C[C@H](C)N2 95471674 HMXQNWJJFLYVST-CBAPKCEASA-N 234.328 2.442 0 40 BEAB CC(C)(C)OC(=O)N1CC(c2ccccn2)C1 91353130 WOZILFWABRXAFR-UHFFFAOYSA-N 234.299 2.416 0 40 BEAB COC(=O)/C=C1\CCCN1Cc1ccccc1 96528444 ZSOWJNHARAXVGQ-JLHYYAGUSA-N 231.295 2.339 0 40 BEAB CCCCn1cnc(C(=O)OCC)c1C 96524043 HBBBPJPTWVCNOD-UHFFFAOYSA-N 210.277 2.168 0 40 BEAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2)n1 257278079 OARRWAPLUQQXPL-JTQLQIEISA-N 244.298 2.173 0 40 BEAB CCCCOc1ncc(C(=O)O)cc1C 675081709 JEIVXNYCZCPMGL-UHFFFAOYSA-N 209.245 2.267 0 40 BEAB Cc1sc2ncnc(-n3ccnc3)c2c1C 8232529 XJOPNGMSRFWWQO-UHFFFAOYSA-N 230.296 2.494 0 40 BEAB CNC[C@H]1CCCN(Cc2ccccc2)C1 11888673 JOOMZMXXEQECFS-CQSZACIVSA-N 218.344 2.118 0 40 BEAB CC(=O)[C@@H]1CC(C)=NN(c2ccccc2)C1=O 14001460 NMOBMVCHSVNNLO-LBPRGKRZSA-N 230.267 2.004 0 40 BEAB CCCS(=O)(=O)Nc1cccc(C(C)=O)c1 19504090 UCWAFKWASMQSMC-UHFFFAOYSA-N 241.312 2.041 0 40 BEAB Clc1cnnc2c1ncn2C1CCC1 150067689 ZXGAGTCOIGVCFB-UHFFFAOYSA-N 208.652 2.205 0 40 BEAB Cn1/c(=N/C(=O)C2CC2)sc2ccccc21 6332415 LYJBOKGLOOWCBN-SEYXRHQNSA-N 232.308 2.077 0 40 BEAB CSc1ncccc1C(=O)N1CCCC1 32666393 NVMKKNCLFDOZEG-UHFFFAOYSA-N 222.313 2.040 0 40 BEAB Cc1ccsc1CNC(=O)c1cccnc1 25678415 KPQHXUSUZRMXRV-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB C[C@H]1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2O1 1565553993 ILBZPWBEXXQSIR-XFMPKHEZSA-N 249.354 2.369 0 40 BEAB O=C1CCCc2[nH]nc(-c3ccc(O)cc3)c21 106117 RWMIEITUMUCUQC-UHFFFAOYSA-N 228.251 2.301 0 40 BEAB CC(=O)c1ccc2c(c1)NC(=O)C[C@H](C)N2 1584305 PVVFDTPIAVSAEM-ZETCQYMHSA-N 218.256 2.032 0 40 BEAB NC(=O)c1cnccc1/C=C/c1ccccc1 1724159 NJYVZKYKDVQUAH-VOTSOKGWSA-N 224.263 2.351 0 40 BEAB FCCOc1ccc(OCCF)cc1 2810160 ZHSZKQOTXYZORT-UHFFFAOYSA-N 202.200 2.383 0 40 BEAB CCCCNC(=O)C(=O)Nc1ccc(CC)cc1 3080217 TUCQOKDRCXGYFW-UHFFFAOYSA-N 248.326 2.104 0 40 BEAB biogenic C[C@@H]1CN=C(Nc2cccc(O)c2)S1 4047812 WAICHRCMCQSSEP-SSDOTTSWSA-N 208.286 2.295 0 40 BEAB Cc1ccccc1NC(=O)[C@H]1CCCC1=O 4946019 NPMMKLZIUDIISA-JTQLQIEISA-N 217.268 2.303 0 40 BEAB CC(=O)[C@]1(C)NN=C(Cc2ccccc2)S1 5292122 HQJFCJAUMCNSPW-GFCCVEGCSA-N 234.324 2.184 0 40 BEAB C[C@@H]1CCCC2=C1[C@H](O)c1c(N)cccc1[C@@H]2O 5392872 FWXVQPOPJHBIEI-BKQRNIBNSA-N 245.322 2.466 0 40 BEAB CCCCCOC(=S)SCC(=O)O 5418775 CSDOMVVSPRPGHN-UHFFFAOYSA-N 222.331 2.296 0 40 BEAB Cn1cccc1C(=O)OCc1ccccc1 8944295 LTGQUMUOSKJRBN-UHFFFAOYSA-N 215.252 2.382 0 40 BEAB CCc1ccc2c(c1)C(C)(C)[C@]1(C)NC(=O)CN21 11731169 QLBXBACRPJYSTI-OAHLLOKOSA-N 244.338 2.193 0 40 BEAB CCC(C)(C)OC[C@@H](O)CN1CCC[C@@H](C)C1 12420006 STCBZPONCVZIMZ-OLZOCXBDSA-N 243.391 2.284 0 40 BEAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1F 12923219 PEEHYZLYDGQBOY-NSHDSACASA-N 237.274 2.043 0 40 BEAB CSc1n[nH]c2cc(-c3ccccc3)nn12 16248821 JSNQXIBBSPSGIM-UHFFFAOYSA-N 230.296 2.446 0 40 BEAB C[C@@H]1CCCCN1Cc1ccc(C(=N)N)cc1 19518878 HZXPTOCSCMRGCB-LLVKDONJSA-N 231.343 2.345 0 40 BEAB Cc1cc(C(=O)N2CCCCC2)ccc1N 20195097 UONQEOMOFIAYAM-UHFFFAOYSA-N 218.300 2.203 0 40 BEAB CCc1ccc(-c2cc(CN)no2)cc1 20270356 YWITWWJGMDXOMU-UHFFFAOYSA-N 202.257 2.363 0 40 BEAB C[C@H]1[C@H]2CCCN2CCN1Cc1cccs1 22078250 CHGSFJMZJTVQHP-WCQYABFASA-N 236.384 2.417 0 40 BEAB CC(C)NC(=O)c1cccc(-c2cnn(C)c2)c1 32533047 YKVNJARZLJJMKG-UHFFFAOYSA-N 243.310 2.225 0 40 BEAB Cc1occc1C(=O)N[C@@H](C)c1cnn(C)c1C 36763494 JTYFZSOOIAWAPD-QMMMGPOBSA-N 247.298 2.121 0 40 BEAB COCCSCC(=O)N[C@H]1CCC[C@@H](C)C1 40508869 LKFPSBHBQCEICC-MNOVXSKESA-N 245.388 2.061 0 40 BEAB O=C(O)[C@H](O)c1cccc(Cl)c1Cl 40733905 BBKBVCLSUNDJCP-SSDOTTSWSA-N 221.039 2.111 0 40 BEAB O[C@H](Cc1ccc(Cl)cc1)[C@H]1CCCNC1 41282882 WVLIQDBZEYQRSY-WCQYABFASA-N 239.746 2.243 0 40 BEAB COc1cc(/C=C/C(N)=O)ccc1OCC(C)C 42237067 OQNSJPGKCZHYMB-FNORWQNLSA-N 249.310 2.229 0 40 BEAB O=C(NCCc1ccsc1)c1cccnc1 44912124 CCUOLVDDJLSKJK-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB CCC[C@@H](C)CNCCN1CCCCC1 49574614 HFNLPCSLCUZDRI-CYBMUJFWSA-N 212.381 2.498 0 40 BEAB CC[C@H](C)[C@@H](C)NCCN1CCCCC1 49574641 FVEOGRVZVMUETE-QWHCGFSZSA-N 212.381 2.497 0 40 BEAB CONC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 53720886 UXQZWUSTBKOIGL-WPRPVWTQSA-N 223.272 2.013 0 40 BEAB CCc1cccc2c(=O)c(C(=O)O)cn(CC)c12 64874824 XIIRDTWEOYTWSD-UHFFFAOYSA-N 245.278 2.282 0 40 BEAB CSc1ccc(O[C@@H](C)C(=O)O)cc1 68577310 MEWMSMRFZJJBNA-ZETCQYMHSA-N 212.270 2.260 0 40 BEAB in-vitro FC(F)(F)[C@@H](c1ccccc1)N1CCNCC1 68589922 CQHRSOBOUDXSBZ-LLVKDONJSA-N 244.260 2.195 0 40 BEAB in-vitro FC(F)(F)Oc1ccccc1CC1CNC1 71790859 NEDWFNVNEMWMIM-UHFFFAOYSA-N 231.217 2.347 0 40 BEAB in-vitro CCc1ccc(C(=O)NO[C@H]2CCCCO2)o1 72059941 JSEZIPBMLLTKHK-NSHDSACASA-N 239.271 2.030 0 40 BEAB c1cc(CN2CCC[C@@H]2c2cc[nH]n2)ccn1 72187780 RRRRSFDVDUIIRA-CYBMUJFWSA-N 228.299 2.142 0 40 BEAB c1ccc(CN2CCN[C@H]3CCCC[C@@H]32)cc1 72210180 VQTUQZIOKKIGLU-GJZGRUSLSA-N 230.355 2.403 0 40 BEAB in-vitro CCOc1ccc(NC(=O)c2cnco2)cc1 82326085 PZHZCJJGGSQGEE-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB Cn1cc(Br)c2cnccc21 82373787 OPNFWGXOYCVWII-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB Cc1cc(NCc2cccc(O)c2)no1 83344137 GYCABNPTDKJBTJ-UHFFFAOYSA-N 204.229 2.301 0 40 BEAB NCCCNc1nsc2ccccc12 83986752 VRVDRAICPPGXKR-UHFFFAOYSA-N 207.302 2.057 0 40 BEAB C[C@@H](Cc1ccoc1)NC(=O)C1CCC1 84835971 OWLBXGGJVQVTAH-VIFPVBQESA-N 207.273 2.127 0 40 BEAB COc1ccccc1[C@@H]1CSCCCN1 85315093 YFCXYMDHYZTSLD-NSHDSACASA-N 223.341 2.463 0 40 BEAB CSCc1cccc(NC(N)=S)c1 85389677 REJQVDSOCWZLHP-UHFFFAOYSA-N 212.343 2.205 0 40 BEAB O=C(O)C1(c2ncccc2C(F)(F)F)CC1 95094308 FFCWBVQEUJZSOG-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB Cc1cc(CN2CCCC[C@H]2c2ncc[nH]2)no1 95422794 JCKQUDUKVOYQHP-LBPRGKRZSA-N 246.314 2.433 0 40 BEAB C[C@H]1SCCN(C(N)=O)[C@H]1c1ccccc1 95960285 VQTPZQUOSPWKSB-MWLCHTKSSA-N 236.340 2.244 0 40 BEAB CC[C@H]1CN(CC2CCC2)CCN1CC(F)F 95980463 DOYAGSIWIMVFDE-LBPRGKRZSA-N 246.345 2.448 0 40 BEAB CCC1(NC(=O)c2ccc(C(=O)O)cc2)CCC1 95989957 WKSSKCLBKJCNTJ-UHFFFAOYSA-N 247.294 2.447 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)[C@H]3CC=CCC3)CC[C@H]2O1 96043593 LGKKOYALEASUJZ-XDQVBPFNSA-N 249.354 2.369 0 40 BEAB Fc1cccc(CN2CC[C@@]23CCCNC3)c1 96239480 BTTLYIOIYJWSRK-CQSZACIVSA-N 234.318 2.154 0 40 BEAB CC[C@H](O)Cc1cc(F)c(F)c(OC)c1 96543548 ZTVBOYFFRYIBFV-QMMMGPOBSA-N 216.227 2.287 0 40 BEAB c1ccc(Cn2cc(-n3cccc3)cn2)nc1 97148451 DBOARKBSAZDMQJ-UHFFFAOYSA-N 224.267 2.117 0 40 BEAB Cc1ccc2c(c1)OCC21CCNCC1 98213588 HREPCNOCAJCHPL-UHFFFAOYSA-N 203.285 2.009 0 40 BEAB Cc1ccc(CN(C)[C@@H]2C[C@@H](C)OC2=O)cc1 107569430 JGXXCINWJJLPKY-DGCLKSJQSA-N 233.311 2.131 0 40 BEAB OCc1c(Br)sc2c1CCC2 225674098 KQVTZINEDZZIGM-UHFFFAOYSA-N 233.130 2.492 0 40 BEAB COc1ccc2c(c1)c(C(F)F)cc(=O)n2C 225758515 HJGBZPMIGAKPGR-UHFFFAOYSA-N 239.221 2.485 0 40 BEAB O=C1Nc2ccc(-c3ccc(O)cc3)cc2C1=O 254286885 OIXADBZBPSFKKG-UHFFFAOYSA-N 239.230 2.194 0 40 BEAB Cc1cc(CNCc2ccc(F)s2)nn1C 256052892 PBRKISTUPSDWIH-UHFFFAOYSA-N 239.319 2.219 0 40 BEAB Nc1c(C(=O)O)ccc(C(F)(F)F)c1F 318614810 JFERSUYTERSBDH-UHFFFAOYSA-N 223.125 2.125 0 40 BEAB CCc1ncc(CNC(=O)[C@@H]2CC=CCC2)o1 331317729 DIGPCCOOWOYHOK-SNVBAGLBSA-N 234.299 2.210 0 40 BEAB CCOc1nc2cc(OC)ccc2cc1N 685938311 GPPQMTRYXJOKDN-UHFFFAOYSA-N 218.256 2.224 0 40 BEAB O=C(COc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 565881 KHHWHWQAUKLMIB-SCRDCRAPSA-N 245.322 2.370 0 40 BEAB CC(=O)c1ccc(Cl)cc1-n1cncn1 79046057 HWUBTIGTLWIXQY-UHFFFAOYSA-N 221.647 2.123 0 40 BEAB COC(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 3159498 HYFNECKRLWMWST-UHFFFAOYSA-N 246.218 2.431 0 40 BEAB CC(C)(C)C(=O)CC(=O)c1cccnc1 4430794 YEIQOAJAQVNEPU-UHFFFAOYSA-N 205.257 2.270 0 40 BEAB CC[C@]1(C(=O)OC)CCc2ccccc2C1=O 6002525 MCTSXXIDKJVVPW-AWEZNQCLSA-N 232.279 2.385 0 40 BEAB CNC(=O)c1cc(Cl)ccc1Cl 577939 LWPYJMKJCAFHIA-UHFFFAOYSA-N 204.056 2.353 0 40 BEAB C[C@H]1CCC[C@H]1OC[C@H](O)CN1CCCCC1 10434798 ZSEZJUFXRAHNSD-BFHYXJOUSA-N 241.375 2.038 0 40 BEAB c1cnc2c(OC[C@H]3CCNC3)cccc2c1 42773414 YTTAIYHYOZWWBN-NSHDSACASA-N 228.295 2.223 0 40 BEAB in-vitro C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1 34304646 LTNNUMKAWAGPIS-BDAKNGLRSA-N 243.303 2.107 0 40 BEAB in-vitro COCCN1CCc2sccc2[C@H]1C 53421706 YJQAVUUHZGLWSX-SECBINFHSA-N 211.330 2.314 0 40 BEAB Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n1 27915723 MAOUXMDDMPXMNQ-NWDGAFQWSA-N 241.294 2.162 0 40 BEAB COc1cccc(Nc2ncnc3n[nH]cc23)c1 1776169 XUPQWTVNWSZXHJ-UHFFFAOYSA-N 241.254 2.105 0 40 BEAB CCOCC(=O)Nc1ccc(OC(F)F)cc1 58164592 SDAOSBAXWGKJEO-UHFFFAOYSA-N 245.225 2.263 0 40 BEAB C[C@@H]1C[C@H](N(C)CC2CCCCC2)C(=O)O1 69416466 FMQHDMFGLUNFGX-PWSUYJOCSA-N 225.332 2.203 0 40 BEAB COc1ncccc1NC(=O)c1cccc(C)n1 48333231 BFJCGYZVCUZYPL-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Oc1nnc(-c2ccccc2)cc1N1CCCC1 45921426 JJZYRXOHOKHVBH-UHFFFAOYSA-N 241.294 2.449 0 40 BEAB CCNC(=O)c1ccc(-n2cccc2)cc1 48693809 PRDKOIVAGSHLLF-UHFFFAOYSA-N 214.268 2.227 0 40 BEAB Cc1c(C(=O)N(C)C)[nH]c2c1C(=O)CC(C)(C)C2 13019372 UWKWHPGKQFJOBW-UHFFFAOYSA-N 248.326 2.180 0 40 BEAB CC(C)CC(=O)Nc1cccnc1N(C)C 49304683 ZCBQOCCYCAVIIT-UHFFFAOYSA-N 221.304 2.132 0 40 BEAB Cc1csc(NC(=O)c2ccccn2)n1 6218908 SVHJTVQLRGWULC-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB COCCn1c(C)c(C)c2cc(N)ccc21 13997723 IPWUCRAYYBVKSW-UHFFFAOYSA-N 218.300 2.487 0 40 BEAB CC(C)Oc1ccccc1Nc1nncc(O)n1 8742408 DQDUQBVYIUVFHP-UHFFFAOYSA-N 246.270 2.108 0 40 BEAB O=C1CCCC[C@H]1n1nc(Cl)nc1Cl 9142782 KCNRLSHZFZVZNQ-RXMQYKEDSA-N 234.086 2.269 0 40 BEAB O=C(c1coc2ccccc12)N1CCCO1 97370233 NIQGYOBDEWRPOW-UHFFFAOYSA-N 217.224 2.210 0 40 BEAB COC(=O)CCc1cc(F)cc(F)c1 84932463 FLBPWMUTTYMQTA-UHFFFAOYSA-N 200.184 2.070 0 40 BEAB CCc1nc(CN2CCC(OC)CC2)cs1 42623865 NIJUJCBRVJXEAY-UHFFFAOYSA-N 240.372 2.316 0 40 BEAB CC[C@](C)(C(=O)O)N1C[C@@H](C)C[C@H](C)C1 35655747 VFSIRZHPFARYNZ-JBLDHEPKSA-N 213.321 2.218 0 40 BEAB Fc1ccc2nc(Br)[nH]c2c1 215752325 ZZIFVWVLAQVGMW-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CC(=O)c1ccc(Br)c(O)c1 70451301 DLSQLGHKHPBHQB-UHFFFAOYSA-N 215.046 2.357 0 40 BEAB COC(=O)CCc1ccc2c(c1)CCCN2 217773487 RRRVVQLYNAGJCL-UHFFFAOYSA-N 219.284 2.150 0 40 BEAB CCNCc1cc(-c2cccs2)nn1C 72226266 OMBMZVDCRHHHCW-UHFFFAOYSA-N 221.329 2.258 0 40 BEAB CCN1CCC[C@H](c2n[nH]c3ncccc23)C1 72350737 XGVCVIVWTFWOGF-JTQLQIEISA-N 230.315 2.157 0 40 BEAB Cc1ccc(-c2cccc(N3CCNCC3)n2)o1 32541331 RQMOZHNBSVMNGL-UHFFFAOYSA-N 243.310 2.060 0 40 BEAB Nc1nc2scc(-c3ccc(F)cc3)n2n1 31891229 DHADUCHFKYLSIE-UHFFFAOYSA-N 234.259 2.179 0 40 BEAB CC(C)C(=O)N1CCCC[C@@H]1c1cnccn1 72187647 FHUDDNYTRJPRNT-GFCCVEGCSA-N 233.315 2.186 0 40 BEAB Cc1nn(C(C)(C)C)c(N)c1Br 43664957 MWEVZBZPEFPREU-UHFFFAOYSA-N 232.125 2.291 0 40 BEAB CCOc1ccc(C(=O)OC)cc1C(C)=O 85390007 HHKMWQAVDFMOQP-UHFFFAOYSA-N 222.240 2.075 0 40 BEAB CC(=O)N1CCOc2ccc(C(F)(F)F)cc21 95415825 GVQOWGFOLGMCAD-UHFFFAOYSA-N 245.200 2.451 0 40 BEAB Cn1cc(N)c(Oc2ccc(Cl)cc2)n1 95836635 IMZUNWBNAWDZDM-UHFFFAOYSA-N 223.663 2.448 0 40 BEAB O=C(O)c1cc(O)c(F)c(Cl)c1F 95101163 SGLXWIWBAORZTB-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB CN1CCC[C@H](Cc2cncc(Cl)n2)CC1 257240827 HVINYWYRAUYZGI-JTQLQIEISA-N 239.750 2.404 0 40 BEAB Cc1ccc(Cl)cc1C(=O)/C=C\C(=O)O 95727033 AVRVPTNFUDOGJW-PLNGDYQASA-N 224.643 2.472 0 40 BEAB CC(C)Oc1ccc(F)c(F)c1C(=O)O 642814354 FTWSHLYLYLPSRY-UHFFFAOYSA-N 216.183 2.450 0 40 BEAB COC(=O)N1CC[C@H](c2ccsc2)C1 824155841 BRRMGUVOPGFSOR-QMMMGPOBSA-N 211.286 2.304 0 40 BEAB OCc1c(F)ccc(OC(F)(F)F)c1F 1083809858 VMORNYGCKKMAPD-UHFFFAOYSA-N 228.116 2.356 0 40 BEAB CC(C)Cc1cc(N2CC[C@H]2C)ncn1 865464982 QQGJHTFGFKQHDS-SNVBAGLBSA-N 205.305 2.274 0 40 BEAB COC(=O)C(C)(C)c1c(Cl)ncnc1Cl 1535341092 XLWOQXXUCGURKA-UHFFFAOYSA-N 249.097 2.234 0 40 BEAB CCCC(=O)NC[C@@H](C)Nc1ccccc1 96449974 DIRVTPKZJSISEQ-LLVKDONJSA-N 220.316 2.403 0 40 BEAB C[C@H]1CCCC[C@@H]1CNCC1(CO)CC1 97086586 FDMZTADUSKHIMW-NWDGAFQWSA-N 211.349 2.175 0 40 BEAB CC(F)(F)OCCOCC(F)(F)F 1083806940 AODPLVVSTBCBFH-UHFFFAOYSA-N 208.126 2.195 0 40 BEAB Cc1cc(-c2ccc(C(=O)O)cc2)no1 205480983 JWBIWUOPXGTSBK-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro Cc1cc(C)cc(NC(=O)CSC(N)=O)c1 5697682 CNGPWMMFFRKUTN-UHFFFAOYSA-N 238.312 2.054 0 40 BEAB CC(C)CNC(=S)Nc1ccncc1 13837242 AOBKPRBXNPYMSE-UHFFFAOYSA-N 209.318 2.024 0 40 BEAB NC[C@H](c1ccccc1Cl)[C@H]1CCCN1 15020671 CLQOCVWWNBVYJO-ZYHUDNBSSA-N 224.735 2.134 0 40 BEAB Cc1cc(C(=O)Nc2nncs2)c(C)s1 21214736 VPPTYEYNDWJONV-UHFFFAOYSA-N 239.325 2.469 0 40 BEAB Cn1cc(Nc2cnc3ccccc3n2)cn1 48400204 NODQIBSFSFNDKF-UHFFFAOYSA-N 225.255 2.107 0 40 BEAB CC[C@@H](C)C(=O)NCc1cccc(COC)c1 40108422 WYCXOXIHTPFZQN-LLVKDONJSA-N 235.327 2.495 0 40 BEAB O=C(NC(=O)N1CCCCCC1)c1ccccc1 81861 RCXGHWBISQQKPP-UHFFFAOYSA-N 246.310 2.412 0 40 BEAB COC(=O)CCN1CC[C@@H](c2ccccc2)C1 50266857 PJDQHLLMBMEADQ-CYBMUJFWSA-N 233.311 2.039 0 40 BEAB CC(C)C(=O)NCCO[C@H]1CCCC[C@H]1C 40534925 YUMPTQFITLTHSH-NEPJUHHUSA-N 227.348 2.354 0 40 BEAB Fc1ccc(CCNC2=NCCS2)cc1 20586324 PNFVUYYMNPSJJG-UHFFFAOYSA-N 224.304 2.061 0 40 BEAB in-vitro CC[C@H]1CCCCN1C(=O)CN(C)CC1CC1 52127963 UIQLXZGPZMYQIP-ZDUSSCGKSA-N 238.375 2.119 0 40 BEAB Cc1nc2sccn2c1Br 81034 VFTRBNIGZDVDMT-UHFFFAOYSA-N 217.091 2.467 0 40 BEAB in-vitro Nn1c(C2CCCCC2)nc2ccccc2c1=O 818218 UTXWCFSTRZXNQG-UHFFFAOYSA-N 243.310 2.158 0 40 BEAB O=C(Nc1ccc2nccnc2c1)c1ccco1 1399127 OMVSOTCJHVKNGC-UHFFFAOYSA-N 239.234 2.475 0 40 BEAB OCCCC[C@@H]1CO[C@@H](c2ccccc2)O1 1671354 NOHMXHKKCXAPKY-CHWSQXEVSA-N 222.284 2.263 0 40 BEAB Cc1nc(CCN2CCCCC2)cs1 1671696 MPKGLXROMSHKQI-UHFFFAOYSA-N 210.346 2.480 0 40 BEAB CCN(CC)[P@@]1(=O)OCC[C@@H](C)O1 1691069 XYTACFUAYJCIHI-AMIZOPFISA-N 207.210 2.262 0 40 BEAB CCOC(=O)COc1ccc(C)c2c1C(=O)CC2 1758626 JTESIBTZILXCOC-UHFFFAOYSA-N 248.278 2.066 0 40 BEAB Cc1ccccc1Nc1nc(N)nc(Cl)n1 4663207 WQSZJTCCRNXOKM-UHFFFAOYSA-N 235.678 2.159 0 40 BEAB Oc1cccc(CNCc2ccco2)c1 4700126 ZMNDFCYQZIPEKE-UHFFFAOYSA-N 203.241 2.275 0 40 BEAB CCc1cc(=O)[nH]c(SCCC(C)C)n1 5154895 PRAOSGQFKYTIGR-UHFFFAOYSA-N 226.345 2.471 0 40 BEAB Cn1ccc(C(=O)NCc2ccc(Cl)cc2)n1 5749009 CMNZPYQJLDJXML-UHFFFAOYSA-N 249.701 2.004 0 40 BEAB CCOC(=O)[C@@H]([C@@H](C)CC)n1cccc1C=O 6658156 BRPXRASNNBGAHX-CMPLNLGQSA-N 237.299 2.451 0 40 BEAB CCCSc1ncnc2nc(C)[nH]c12 8581275 IQRPWZANASQZDM-UHFFFAOYSA-N 208.290 2.163 0 40 BEAB CC(C)(C)N1NC2(CCCCCC2)NC1=O 9189428 ZRYOPEOXMGMCTG-UHFFFAOYSA-N 225.336 2.365 0 40 BEAB CNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 9606418 HUMVUPGVFSYPPJ-UHFFFAOYSA-N 247.279 2.286 0 40 BEAB CCc1ccc(C(=O)CN2CCSC2=N)cc1 12561346 KBBPCAFNLRNHHW-UHFFFAOYSA-N 248.351 2.415 0 40 BEAB C[C@@H]1CN(c2nc3ccccc3o2)C[C@@H](C)O1 12936326 YQNNYXSTVAYHMT-NXEZZACHSA-N 232.283 2.441 0 40 BEAB CCC(=O)N1CCCc2cc(NC(C)=O)ccc21 13958943 ZAVNSBMHCDNKOM-UHFFFAOYSA-N 246.310 2.334 0 40 BEAB COc1cccc(Oc2ncccc2N)c1 19255943 IMCIDRFCHJVFFW-UHFFFAOYSA-N 216.240 2.465 0 40 BEAB CCCc1cc(=O)c2cccc(OC)c2[nH]1 19721990 RSRRAIVWAVNHSP-UHFFFAOYSA-N 217.268 2.489 0 40 BEAB c1cc(CN2CCC[C@@H](N3CCCC3)C2)ccn1 19745425 NZCRLRPXCKVHIJ-OAHLLOKOSA-N 245.370 2.142 0 40 BEAB CN(C)CC[C@H](N)c1ccc(Cl)cc1 20273986 BHCWWKIOLOCHRY-NSHDSACASA-N 212.724 2.292 0 40 BEAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC 22533534 QVIFQIUEDGCHFS-GFCCVEGCSA-N 221.300 2.207 0 40 BEAB CCCn1nccc1C(=O)N1CCCCCC1 28222523 PPYHVNJYXJLADO-UHFFFAOYSA-N 235.331 2.309 0 40 BEAB COCCC(=O)Nc1cc(-c2ccccc2)n[nH]1 28305020 CSXYMBQVGBPUOL-UHFFFAOYSA-N 245.282 2.052 0 40 BEAB CCn1ncc(C(=O)NC2CCCCC2)c1C 28575444 KYXRMBLVQTYEBV-UHFFFAOYSA-N 235.331 2.274 0 40 BEAB Cc1nc(Cn2c(=O)oc3ccccc32)cs1 32667882 FFXXZTMGVLRSGB-UHFFFAOYSA-N 246.291 2.408 0 40 BEAB CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)N1 34080405 BJOUEZQMVVKCPC-NEPJUHHUSA-N 219.284 2.043 0 40 BEAB CC(=O)N1CCC(c2ccccc2)CC1 35588030 DPSBGWLMCAVDNY-UHFFFAOYSA-N 203.285 2.413 0 40 BEAB CCOC(=N)Cc1ccc(OC)c(OC)c1 37928036 WABGXUUHWJFCBW-UHFFFAOYSA-N 223.272 2.260 0 40 BEAB Cn1cc(NC(=O)Nc2ccccc2)ccc1=O 40554377 WPRRXLRKOTZDCJ-UHFFFAOYSA-N 243.266 2.029 0 40 BEAB CCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 41421356 JXAZHVIHWHSOHA-DGCLKSJQSA-N 233.311 2.385 0 40 BEAB c1ccc2c(c1)CCCN2C[C@@H]1CCNC1 42783436 VXVXPQVXJLQWKE-GFCCVEGCSA-N 216.328 2.049 0 40 BEAB COc1ccc(F)c(F)c1/C=C/C(=O)O 44214436 NLWIQJYLSLRZTL-GORDUTHDSA-N 214.167 2.071 0 40 BEAB CC/C=C(\C)C(=O)NCc1cccnc1 46041271 ATNNCEIDEPAORL-BJMVGYQFSA-N 204.273 2.054 0 40 BEAB Cc1cc(C)nc(N2C[C@H](C)OC(C)(C)C2)n1 49177162 AEGJGYAQPZFQSB-NSHDSACASA-N 235.331 2.097 0 40 BEAB CC1CCN(C(=O)C2CCC(CN)CC2)CC1 55145484 PLHMINRHKPYHMA-UHFFFAOYSA-N 238.375 2.010 0 40 BEAB Cc1cc2ncn(C[C@@H](N)C3CC3)c2cc1C 69076960 RGSOVRILCBJWCO-GFCCVEGCSA-N 229.327 2.390 0 40 BEAB in-vitro Cc1cc(Br)c2nc(N)[nH]c2c1 72219699 WZZPUOPKGUUPGQ-UHFFFAOYSA-N 226.077 2.216 0 40 BEAB c1ccc(C2CCN(c3ccncn3)CC2)nc1 72357363 LBJSEBUILJWSNO-UHFFFAOYSA-N 240.310 2.256 0 40 BEAB c1ccc(N2CCC(c3nnco3)CC2)cc1 72381368 OCLNANSOYFJCLG-UHFFFAOYSA-N 229.283 2.454 0 40 BEAB CCOCCC(=O)NC[C@H](C)c1ccsc1 73371031 XYIPQIYZXCPPAO-JTQLQIEISA-N 241.356 2.394 0 40 BEAB CC[C@H](C)Sc1nnnn1CC(F)(F)F 77935624 VWYJMEFADUAKOV-YFKPBYRVSA-N 240.254 2.126 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CCCO2)C1 79069249 ZWXNZDNOVGQVNM-WZRBSPASSA-N 225.332 2.250 0 40 BEAB c1ccc(CN(C2CC2)[C@H]2CCNC2)cc1 79437978 FBLJWEZDOUIJOT-AWEZNQCLSA-N 216.328 2.013 0 40 BEAB O=C1C[C@H](c2ccc(Br)cc2F)N1 84128105 VIFHHADNTXIQSU-MRVPVSSYSA-N 244.063 2.149 0 40 BEAB Cc1cccc(-c2nc([C@H](N)C(C)C)n[nH]2)c1 95534786 BSTBVHUPGWFVHB-LLVKDONJSA-N 230.315 2.436 0 40 BEAB Fc1ccc(OCCC2OCCO2)c(F)c1F 95733841 AUFUXZBWWPBQQL-UHFFFAOYSA-N 248.200 2.246 0 40 BEAB O=C(Nc1ccc(Cl)cc1O)c1cnccn1 95974017 AQWVGTNIGZCVSE-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB COC(=O)CNC1(c2cccc(Cl)c2)CC1 95985316 UPDMCZWTYVGGHR-UHFFFAOYSA-N 239.702 2.092 0 40 BEAB O=C(CC1=CCCCC1)NCCn1cccc1 96449886 RITUKFIOASGQPI-UHFFFAOYSA-N 232.327 2.495 0 40 BEAB COC(=O)c1cc(N)cc2ccccc12 96524027 SXKPYDRBFCWMNT-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB in-vitro Cc1nnc([C@@H](C)Nc2cnn(C(C)C)c2)o1 97140057 OBDYRUWTUIQGJL-MRVPVSSYSA-N 235.291 2.329 0 40 BEAB CSC1(C(=O)O)[C@H]2CC[C@H]3[C@@H]2CC[C@@H]31 102958256 LUUFFDIGOVAXOK-JBDRJPRFSA-N 212.314 2.239 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCC(F)(F)F 103052149 RQDUZPCIMKMZHO-XHNCKOQMSA-N 235.249 2.491 0 40 BEAB CSc1nc(O)c2c(n1)C(C)(C)CS2 113465873 LYWKJYIWPPQUMW-UHFFFAOYSA-N 228.342 2.287 0 40 BEAB CO[C@@H](CNC(C)=O)c1ccccc1Cl 121894799 HQIBPIATQAMDKE-NSHDSACASA-N 227.691 2.164 0 40 BEAB CCCn1nccc1CNCCC(C)C 164826957 SJWZCCIFDMSMKU-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB C[C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)CC1=O 217892371 QMDBRAGBGCRPGM-QPUJVOFHSA-N 227.304 2.269 0 40 BEAB CC(C)Oc1nccc(C(=O)O)c1Cl 232673793 UKGWMLBGMLDOTJ-UHFFFAOYSA-N 215.636 2.220 0 40 BEAB C[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)C[C@H]1O 242687734 UTINLICILIBKRJ-LNLATYFQSA-N 229.320 2.061 0 40 BEAB COC(=O)c1cc(O)c(F)c(Br)c1 260045991 KLPBBOUJJSYOGN-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 517746346 BMGPRVRDUYTUKS-UHFFFAOYSA-N 236.662 2.084 0 40 BEAB CCC(=O)Nc1cncc2c1CCCC2 617104454 PTJSXPIJNSEKRH-UHFFFAOYSA-N 204.273 2.309 0 40 BEAB CCN1CC(=O)N(c2cscc2Cl)C1=O 634535665 WVWSDYIRFHIJLJ-UHFFFAOYSA-N 244.703 2.190 0 40 BEAB CSc1n[nH]c(C)c1C(=O)OC(C)(C)C 1565504882 ZLURTPSHYYNOSW-UHFFFAOYSA-N 228.317 2.395 0 40 BEAB CCc1c(C)c2ccc(O)cc2oc1=O 519016 BKZKRVHQFPBHFH-UHFFFAOYSA-N 204.225 2.369 0 40 BEAB biogenic,in-vitro CCN(CC)CCCNC(=O)c1cccc(C)c1 2057641 MBFPOQQRPGHXTN-UHFFFAOYSA-N 248.370 2.457 0 40 BEAB Cc1ccccc1CNCCCn1ccnc1 2510443 IDDDUAQICFOXAS-UHFFFAOYSA-N 229.327 2.371 0 40 BEAB O[C@@H]1C[C@@H]2CC[C@H]1N(Cc1ccccc1)C2 4368220 LSQZRPLAUOVRPZ-BFHYXJOUSA-N 217.312 2.032 0 40 BEAB O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)O 4771974 ZUYLPFIRBGKDRV-MRVPVSSYSA-N 242.658 2.058 0 40 BEAB CC(C)C(=O)Nc1nonc1-c1ccccc1 5451397 KMNUILCUOXZKPG-UHFFFAOYSA-N 231.255 2.331 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccco1 5676866 PQUMMGONKCIJMR-HBNTYKKESA-N 219.284 2.446 0 40 BEAB COc1ccccc1C1(CN)CCCC1 11848931 SDHQESURORPKBB-UHFFFAOYSA-N 205.301 2.466 0 40 BEAB in-vitro CCCNC(=S)NCc1ccc(F)cc1 13814254 VRGQDZOYILJMFM-UHFFFAOYSA-N 226.320 2.200 0 40 BEAB CCOC(=O)C1=C(N)S[C@@H]2CCCC[C@@H]12 19626555 MHLOZPWQZPKMGT-HTQZYQBOSA-N 227.329 2.025 0 40 BEAB Cc1cc2nc(CCCN)[nH]c2cc1C 19733977 IDPXOJHBDZLRKM-UHFFFAOYSA-N 203.289 2.071 0 40 BEAB Cc1nn(C)cc1NCc1cccc(O)c1 20352768 DZGRCKJFRATWJC-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 21986609 YMCFWPXQTPNUBN-UHFFFAOYSA-N 214.268 2.250 0 40 BEAB COC(=O)[C@H](C(C)C)N1CCCC[C@@H]1C 22123325 LGVTXLWASYUXKR-QWRGUYRKSA-N 213.321 2.058 0 40 BEAB Cn1ncc2c1CCC[C@H]2NC(=O)CC(C)(C)C 24993475 VARLLVFHNSWGAH-LLVKDONJSA-N 249.358 2.350 0 40 BEAB Cc1ccccc1COc1coc(CO)cc1=O 36262581 WAZUUOUDIRRMAL-UHFFFAOYSA-N 246.262 2.020 0 40 BEAB Cc1ccc(-c2n[nH]cc2CNc2cn[nH]c2)o1 37260930 CVDGMSGKRYJQKC-UHFFFAOYSA-N 243.270 2.313 0 40 BEAB C[C@H](N)c1nc2cc(Br)ccc2[nH]1 37441126 HLIXKZWWISMBDS-YFKPBYRVSA-N 240.104 2.345 0 40 BEAB COc1cccc([C@H](CN)N2CCC(C)CC2)c1 38808883 KCIUKWKSSGWHEG-HNNXBMFYSA-N 248.370 2.427 0 40 BEAB Cc1ccccc1OCCn1ccccc1=O 39981979 AQLHTSJKAAHUQN-UHFFFAOYSA-N 229.279 2.236 0 40 BEAB Cc1c(C(=O)O)noc1-c1ccccc1 41211482 YZWYKGDZMIBRSH-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB CCN(C(=O)CN1CCCC1)c1ccccc1 47080883 HDNMEZVLKNZXJS-UHFFFAOYSA-N 232.327 2.135 0 40 BEAB CCOC(=O)C1CCN(C2CCCC2)CC1 50047902 WLNMFLURIROLCH-UHFFFAOYSA-N 225.332 2.204 0 40 BEAB NC1CCC(NCc2ccc(F)cc2)CC1 51693530 IMQSVMRDSKAKKO-UHFFFAOYSA-N 222.307 2.185 0 40 BEAB CNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 69181650 BOTHIUZXNHVIOG-GRGONOBASA-N 205.257 2.162 0 40 BEAB CC(C)(C)c1nnc(CN2CCCCC2)o1 69369605 BUOZSDKRTNJJID-UHFFFAOYSA-N 223.320 2.353 0 40 BEAB Cc1ccc(N2CC[C@H](O)C2)cc1Cl 72206461 JIBOXLFDVGCGKP-JTQLQIEISA-N 211.692 2.219 0 40 BEAB C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)O 72341363 OKTOGTFKLDRTOB-VKHMYHEASA-N 238.136 2.095 0 40 BEAB CCNC(=O)N(C1CC1)[C@@H](C)c1ccccn1 78933022 VWXABLTYOFEGDK-JTQLQIEISA-N 233.315 2.337 0 40 BEAB C[C@H](N)c1ccc(N2CCCCC2=O)cc1 83684238 PSYJDJLOCHXDCU-JTQLQIEISA-N 218.300 2.223 0 40 BEAB in-vitro Cc1cc(COC(=O)[C@H]2C[C@@H]2c2ccco2)on1 95956280 WMTUWMBEHGCGAV-QWRGUYRKSA-N 247.250 2.423 0 40 BEAB O=C(O)[C@@H]1CCN(CC2CC2)c2ccccc21 96515737 KJXBSWZRSWQUMV-GFCCVEGCSA-N 231.295 2.475 0 40 BEAB Cn1cnc2nc(C(F)(F)F)nc(Cl)c21 96529517 HCSMOABFVPBYFI-UHFFFAOYSA-N 236.584 2.036 0 40 BEAB CCOC(=O)C1=NC[C@H](c2ccccc2)S1 98086076 KQLRFDGULVQHBX-SNVBAGLBSA-N 235.308 2.436 0 40 BEAB CC[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ncc[nH]1 102280694 UCUGKUCVICQYKQ-GUBZILKMSA-N 233.315 2.023 0 40 BEAB C[C@@H](CO)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 128840334 JUAGDNMRVSRYBP-SRRSOLGSSA-N 211.349 2.172 0 40 BEAB C[Si](C)(C)Cn1cnc2sccc2c1=O 195530064 PTHNBTBMWBXYLL-UHFFFAOYSA-N 238.388 2.335 0 40 BEAB C[C@@H](NN)c1cc(F)c(F)cc1Cl 199535558 KNWCRCDRMAEUQX-SCSAIBSYSA-N 206.623 2.143 0 40 BEAB Cc1cccc(C)c1N(C)[C@@H](C)C(=O)O 224983210 SUPOSRWDUKXHCI-JTQLQIEISA-N 207.273 2.213 0 40 BEAB CCNC(=O)c1cc(N)c(NCC)cc1Cl 225729166 BQOBUCOEUPDNBF-UHFFFAOYSA-N 241.722 2.104 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@@H]12 245224136 RSVDRWTUCMTKBV-PEBLQZBPSA-N 248.322 2.333 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)[C@H](C)[C@@H]21 252527499 CRSCRJHTAPGPGQ-MTVMDMGHSA-N 226.316 2.389 0 40 BEAB C[C@@H]1CCO[C@@H]1C(=O)N(C)C1(C)CCCC1 336274793 LBKYJKYBPDIYLP-MNOVXSKESA-N 225.332 2.203 0 40 BEAB CCOc1ccc(/C=C\C(N)=O)cc1Cl 361633765 ALRMUXPOZXPBNC-XQRVVYSFSA-N 225.675 2.237 0 40 BEAB CC(C)(C)N([C]=O)c1nccc(Cl)c1C=O 1857778622 BJDYIAPXVPWTHV-UHFFFAOYSA-N 239.682 2.220 0 40 BEAB CC[C@@H](C)N1CCC(COc2ncccn2)CC1 1888853416 WVIRMWBWKQKULK-GFCCVEGCSA-N 249.358 2.366 0 40 BEAB CC(C)(C)c1n[nH]c(N)c1Br 87418663 GRKPPXBYKINTCX-UHFFFAOYSA-N 218.098 2.052 0 40 BEAB CC1CCN(c2cnnc(O)c2Cl)CC1 111754 ABIAZKYRUXZNBO-UHFFFAOYSA-N 227.695 2.072 0 40 BEAB NCCCc1nnc(C2CC2)n1-c1ccccc1 75920127 PQRMIMIODNRCRB-UHFFFAOYSA-N 242.326 2.036 0 40 BEAB CC[C@H]1S[C@](CC)(CC(C)C)C(=O)NC1=O 1705157 HFERNRCGYRDAFA-BXKDBHETSA-N 243.372 2.350 0 40 BEAB Cc1ccc(C)c(S(=O)(=O)NCC(C)C)c1 7375506 HLMPNHZGSSOFOD-UHFFFAOYSA-N 241.356 2.238 0 40 BEAB Cc1c(C(=O)N(C)C2CCCCC2)cnn1C 41970747 CNPRBMVAFIPGML-UHFFFAOYSA-N 235.331 2.133 0 40 BEAB c1coc(-c2nnc3n2CCCCC3)c1 3191152 ATONLSHHMCYURP-UHFFFAOYSA-N 203.245 2.265 0 40 BEAB CC(C)NC(=O)c1cncn1-c1ccc(F)cc1 12525747 SYUAPFMVXXQANP-UHFFFAOYSA-N 247.273 2.150 0 40 BEAB COc1cnc(-c2ccccn2)nc1OC(C)C 1385890 GOJKHAVJPNQYEM-UHFFFAOYSA-N 245.282 2.334 0 40 BEAB Nc1cc(Cl)ccc1NC(=O)C1CC1 20157172 DAAXKEKSZIDSRE-UHFFFAOYSA-N 210.664 2.271 0 40 BEAB Cc1cccc(C(=O)N[C@@H](C)c2ccncc2)n1 25217478 XPPRBFRSPZSLPZ-NSHDSACASA-N 241.294 2.276 0 40 BEAB C[C@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 35347420 LIABTWRCSCWKGU-JTQLQIEISA-N 247.294 2.257 0 40 BEAB CC(=O)c1c[nH]c2cc(C(=O)O)ccc12 26423469 PSFFTDLDFVWLPL-UHFFFAOYSA-N 203.197 2.069 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1Cn1ncn(C)c1=S 3276956 TXDUKDIGBMQASO-NXEZZACHSA-N 240.376 2.171 0 40 BEAB COc1cc(N)ccc1OCC(F)(F)F 50505245 ZLCPTHMZFLMFSP-UHFFFAOYSA-N 221.178 2.219 0 40 BEAB O=C(O)/C=C/c1c[nH]c2ccc(F)cc12 20269233 DGXNAFWODXDQDK-DAFODLJHSA-N 205.188 2.405 0 40 BEAB CCN(CC)c1ccc2c(CO)cc(=O)oc2c1 2573855 NMZSXNOCNJMJQT-UHFFFAOYSA-N 247.294 2.132 0 40 BEAB in-vitro C[C@@H](NC(=O)c1cnccn1)c1cccc(F)c1 12877522 LFGMLIRTFGFSDF-SECBINFHSA-N 245.257 2.107 0 40 BEAB CSCc1cc(C(=O)O)ccc1F 62766655 OFQRPVIMNPPWMW-UHFFFAOYSA-N 200.234 2.387 0 40 BEAB in-vitro O=C(Nc1cc[nH]n1)[C@H]1Cc2ccccc2S1 48798804 SLTJJKCRAUKSHP-SNVBAGLBSA-N 245.307 2.065 0 40 BEAB CCONc1ncnc2cc(OC)c(OC)cc12 4042591 KKWQRWIRKJTAND-UHFFFAOYSA-N 249.270 2.010 0 40 BEAB CNC(=O)c1cccc(OCCC(C)C)c1 39225813 CILOVRLDZHMKAC-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB CCOc1cccc(/C=C/C(=O)OC)c1 62715382 YZVUYSJADICFMC-BQYQJAHWSA-N 206.241 2.272 0 40 BEAB Cc1ccccc1CSc1nnc(CCN)o1 5093125 FAQPXVMDTHUTDF-UHFFFAOYSA-N 249.339 2.172 0 40 BEAB CCO[C@@H](C)c1nc(C)c(C(=O)O)s1 68576376 VHHNAKXPUMJMLP-LURJTMIESA-N 215.274 2.247 0 40 BEAB in-vitro Nc1ncc(Br)cc1-n1cccc1 20358035 WCKNBUSVKFPHEW-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CC(C)CCn1cnc(Br)n1 66442602 VAQHMZSHCLSELL-UHFFFAOYSA-N 218.098 2.087 0 40 BEAB Cc1nc(-c2nnc(-c3ccccc3)o2)c(N)o1 72238762 NFCTVQUCZAUWIH-UHFFFAOYSA-N 242.238 2.282 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)c(N(C)C)c1 84793845 LHEBBWJRBSZEOZ-AAEUAGOBSA-N 246.354 2.333 0 40 BEAB CS[C@H](C)CNC(=O)/C=C/c1ccc(C)o1 95434444 RUMOBWPMGPDVIL-VQCYPWCPSA-N 239.340 2.469 0 40 BEAB C[C@H](Cc1cccnc1)OC(=O)C[C@H]1CCCO1 95987703 AUUKXDZIAHGXJB-DGCLKSJQSA-N 249.310 2.125 0 40 BEAB C[C@@]1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1 34924351 FERMSOSSTIVNLH-NSHDSACASA-N 239.658 2.308 0 40 BEAB COc1cccc(CCC(=O)O)c1OC(F)F 78406316 RHTNWTFXJNPCPS-UHFFFAOYSA-N 246.209 2.314 0 40 BEAB Nc1cc(C(F)(F)F)ccc1CCC(=O)O 217616019 CPPWIXBILKXIPU-UHFFFAOYSA-N 233.189 2.305 0 40 BEAB CCOc1ccc(-c2cc(O)on2)cc1 71976613 OGZDUQCRYLVJFT-UHFFFAOYSA-N 205.213 2.446 0 40 BEAB CC(C)N(CCO)Cc1cccc(F)c1 49825835 NYIDRYXWMCUUMM-UHFFFAOYSA-N 211.280 2.028 0 40 BEAB COCCNCc1cn(C2CCCC2)nc1C 80076709 ACKDTEHIRXTAIT-UHFFFAOYSA-N 237.347 2.043 0 40 BEAB Cc1cnn(Cc2cc(C)sc2C)c(=O)c1 195432352 IMSHYFCBUSUILM-UHFFFAOYSA-N 234.324 2.278 0 40 BEAB CC(C)OCCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 225435869 ZQPMEITVVNPEGT-SRVKXCTJSA-N 226.316 2.391 0 40 BEAB c1ccc2nc(OC[C@@H]3CCCNC3)cnc2c1 44029920 KBKGCMTYPJSOTQ-LLVKDONJSA-N 243.310 2.008 0 40 BEAB CC(=O)c1ccc([C@@H]2CCNC(=O)C2)cc1F 199776602 LKWNJUZJVARHAO-SNVBAGLBSA-N 235.258 2.022 0 40 BEAB NNCc1cc(Cl)ccc1Br 85220968 ASTQNFCATWIXHE-UHFFFAOYSA-N 235.512 2.066 0 40 BEAB Cc1cccc(CN2CCCC[C@@]23CCNC3)n1 96071164 AOCNDIUVWFKFLE-HNNXBMFYSA-N 245.370 2.108 0 40 BEAB CCC(=O)Nc1nc2c(Cl)ncnc2s1 96511275 YZVWYWPXHNYSDO-UHFFFAOYSA-N 242.691 2.088 0 40 BEAB C1CCC(N2CC[C@@]23CCCNC3)CC1 96050988 ZJZXNJHRYRWZSY-CYBMUJFWSA-N 208.349 2.147 0 40 BEAB CCOC(=O)c1cn[nH]c1C1CC(C)C1 242688003 VCBVGJKXXGCGIC-UHFFFAOYSA-N 208.261 2.100 0 40 BEAB CN(C)C(=O)C(F)(F)Sc1ccccc1 256053991 UMYBDFCOOMKHNM-UHFFFAOYSA-N 231.267 2.460 0 40 BEAB CC(C)(C)NC(=S)NNc1ccccc1 2555898 DMCKLGWLDHDTDT-UHFFFAOYSA-N 223.345 2.276 0 40 BEAB O=C(NCCc1ccoc1)c1cccs1 90607369 LZUUVHRWTGBJHF-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB COCC(=O)N1CCC[C@H]1c1cccc(F)c1 55864126 YNCNWCRVDXOIFQ-LBPRGKRZSA-N 237.274 2.136 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@]2(CCNC2)C1 83339333 DVXNFYCGXYZJDI-GWCFXTLKSA-N 240.347 2.043 0 40 BEAB O=Cc1nc2c(Br)cccc2o1 95755759 ITOQKHSXCXNZJP-UHFFFAOYSA-N 226.029 2.403 0 40 BEAB in-vitro CC(C)COCCN(C)[C@@H](C)c1cnn(C)c1 225722510 HAZLYCAYFUCBJB-LBPRGKRZSA-N 239.363 2.086 0 40 BEAB CCOC(=O)c1oc2ccccc2c1O 5239718 LZMVMKXUQAQMJQ-UHFFFAOYSA-N 206.197 2.315 0 40 BEAB Cc1cc(O)cc(C2CN(C(=O)C(C)(C)C)C2)n1 607855276 FKVLPWHYYNKCOE-UHFFFAOYSA-N 248.326 2.068 0 40 BEAB CCCN1CCC(NCCC(C)C)CC1 19911853 IDDPEAWDVZBCBZ-UHFFFAOYSA-N 212.381 2.497 0 40 BEAB Cc1ccc(N2CCc3ccccc3C2)nn1 390832364 YZHRAIINMUJENS-UHFFFAOYSA-N 225.295 2.348 0 40 BEAB Nc1ncccc1C(=O)OCc1ccc(F)cc1 24757912 USOOXYONYXAZPY-UHFFFAOYSA-N 246.241 2.160 0 40 BEAB CCN(CC)[P@]1(=O)OC(C)(C)C[C@@]1(C)O 231786 REQUQJQPNHWTGW-ZUZCIYMTSA-N 235.264 2.429 0 40 BEAB C[C@H](c1ccccc1F)N1CCC(O)CC1 51590159 XYEQNTAUECBAEU-SNVBAGLBSA-N 223.291 2.343 0 40 BEAB C[C@H](Nc1cccc(C(=O)O)n1)c1ccccn1 51042749 BWUGWDJYEOEIPY-VIFPVBQESA-N 243.266 2.348 0 40 BEAB Nc1ccc(-c2nc3c(N)cccc3[nH]2)cc1 801193 XIVODYIMJKASDB-UHFFFAOYSA-N 224.267 2.394 0 40 BEAB CC(=O)Nc1ncc2c(Cl)cccc2n1 1392367 JODPDVRVOPYZMU-UHFFFAOYSA-N 221.647 2.242 0 40 BEAB O[C@@H](C[C@H]1CCCCN1)c1ccccc1 1567967 OPZVPQVONVBYTF-OLZOCXBDSA-N 205.301 2.252 0 40 BEAB biogenic Cc1cccc(C)c1NC(=O)N1CCN(C)CC1 1741824 OXLUZTZFNBTDDP-UHFFFAOYSA-N 247.342 2.083 0 40 BEAB C[C@@H]1CC[C@]2(O)C(=O)CC[C@H]3[C@H]([C@H]12)C3(C)C 4104701 BEQYXBYLUJTQJC-LGYAQJSQSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CCOC(=O)c1ccc2[nH]c(=O)cc(C)c2c1 5009553 IDVSHHVGDOUVIE-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB CC(C)(C)NS(=O)(=O)/C=C\c1ccccc1 5052434 NYBBWAJDRJTTAU-KTKRTIGZSA-N 239.340 2.375 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2NC(=S)S 5497206 TYGIKKCTXUVYPS-MVKOHCKWSA-N 243.397 2.185 0 40 BEAB CC(C)(C)OC[C@@H](O)CNC1CCCCC1 7636343 GCKSLZXHJMZOTL-LBPRGKRZSA-N 229.364 2.085 0 40 BEAB CCCc1cc(=O)n(-c2ccc(C)cc2)[nH]1 9419044 PILXHADODUXSLK-UHFFFAOYSA-N 216.284 2.427 0 40 BEAB C[C@@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1 14490840 AEPMKZIOUKHDOO-UTUOFQBUSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro CCc1cccc(N2CCC(N)CC2)c1 19442146 QIXTWWWIEMYFSH-UHFFFAOYSA-N 204.317 2.177 0 40 BEAB in-vitro O=C(O)[C@@H]1CCCN(CCCc2ccccc2)C1 19787908 VUZHYEGXXWFWFT-CQSZACIVSA-N 247.338 2.416 0 40 BEAB c1ccc2c(c1)CCN[C@H]2c1ccncc1 19862807 JFKYAEYYDOTEBD-AWEZNQCLSA-N 210.280 2.317 0 40 BEAB biogenic COc1ccc(N)cc1C(=O)N1CCC[C@H](C)C1 20156018 YXNQBGAXGSMDAS-JTQLQIEISA-N 248.326 2.150 0 40 BEAB CC(C)c1nc2ccccc2n1CCN 20223146 NABWXAOLWIGEEW-UHFFFAOYSA-N 203.289 2.118 0 40 BEAB CCn1cc(CNc2cn(CC)nc2C)c(C)n1 20350967 QEMRWTLPLDZZIP-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB CCOC(=O)CSc1cccs1 20374882 YNUNTAWVARFSQZ-UHFFFAOYSA-N 202.300 2.403 0 40 BEAB COCC(=O)Nc1ccc(N2CCCC2)cc1C 25032201 RXUZTGMRVICAIH-UHFFFAOYSA-N 248.326 2.180 0 40 BEAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)C1CC1 27846378 SDJMVFYCEAMEBU-LBPRGKRZSA-N 244.338 2.039 0 40 BEAB CCn1nccc1CNC(=O)C1CCCCC1 28219538 HQYMLJOBOLQRQT-UHFFFAOYSA-N 235.331 2.100 0 40 BEAB Cc1ccsc1C(=O)NCC(F)(F)F 33029008 TUXQVWOEUYLQHP-UHFFFAOYSA-N 223.219 2.349 0 40 BEAB CC(C)NC(=O)CN[C@@H](c1ccccc1)C(C)C 35018348 JOBDAXIBFYSFEJ-OAHLLOKOSA-N 248.370 2.498 0 40 BEAB C[C@@H](CO)NCc1cccc2ccccc12 35603831 ZWNAJZZCMZQPKM-NSHDSACASA-N 215.296 2.310 0 40 BEAB Nc1nc2scc(-c3cccs3)c2c(=O)[nH]1 36222693 ZVJJMPKXAOGXMK-UHFFFAOYSA-N 249.320 2.295 0 40 BEAB CNC[C@H](c1ccccc1)N1CCCCC1 39957458 OTALFDMWEXVUBN-CQSZACIVSA-N 218.344 2.433 0 40 BEAB CCC[C@H](C(=O)OCC)C(=O)C(F)(F)F 43464495 GKTRFIBYCDBMGZ-LURJTMIESA-N 226.194 2.097 0 40 BEAB O=C(c1csc(-n2cccc2)n1)N1CCCC1 44448429 XKXFDOYWYSOUJW-UHFFFAOYSA-N 247.323 2.170 0 40 BEAB COc1ccc2c(Br)c[nH]c2n1 44712839 ISENGFMRAAURKN-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB CCOC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 47796107 RALQPXGDVBLSBW-GFCCVEGCSA-N 240.347 2.163 0 40 BEAB CCCNC(=O)CN(C)CCCc1ccccc1 52893429 XBCHBXIJJVMCKM-UHFFFAOYSA-N 248.370 2.077 0 40 BEAB COc1cc(C)c2cc(C(=O)O)[nH]c2c1 59730779 OKJRMUCGQPFVFL-UHFFFAOYSA-N 205.213 2.183 0 40 BEAB OC/C=C/c1cccc(Br)c1 60036723 FSYTZONKJWJPPJ-DUXPYHPUSA-N 213.074 2.455 0 40 BEAB O=C(O)c1cnc2cc(F)cc(F)c2c1 62864102 JCTUYCLLJHJHFD-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB Cc1cccc([C@H]2NC(=O)c3cccnc3N2)c1 65606985 FLBKNIMZGJXCIY-GFCCVEGCSA-N 239.278 2.244 0 40 BEAB NC/C=C/c1ccc(Br)cc1 69050282 MJRCYLHKDBOJSD-OWOJBTEDSA-N 212.090 2.421 0 40 BEAB OCc1cc(F)c(Br)cc1F 70023040 CXEWREITGADCOJ-UHFFFAOYSA-N 223.016 2.220 0 40 BEAB in-vitro c1cnc(NC2CC2)c([C@@H]2CCCN2)c1 72213700 GYAMALRUFHABKL-NSHDSACASA-N 203.289 2.080 0 40 BEAB CCCC(=O)N1CCC[C@H]1c1cc(=O)cc(C)[nH]1 72361206 VHZLXISCYNHOAE-ZDUSSCGKSA-N 248.326 2.147 0 40 BEAB c1ccc(CN2CC[C@@]3(CCCCN3)C2)cc1 82346686 UCKQWPTZJAOXHJ-HNNXBMFYSA-N 230.355 2.405 0 40 BEAB COCCN(Cc1ccoc1)C(=O)c1ccco1 85474176 LGJKQCUHRUHATC-UHFFFAOYSA-N 249.266 2.161 0 40 BEAB COC(=O)c1ccc(Cn2c(C)ccc2C=O)o1 85863810 CCOWEJKGZGBGID-UHFFFAOYSA-N 247.250 2.037 0 40 BEAB C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 89922211 ALXGHPFSYFYVNK-CABNGKKXSA-N 244.338 2.498 0 40 BEAB Cc1ccc(NC(=O)NCc2ccccn2)nc1 97372802 XOYZHQTXVFBRNK-UHFFFAOYSA-N 242.282 2.107 0 40 BEAB O[C@@H]1c2ccccc2[C@@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104054596 LYMXOOHQUGPBHH-QJZRJXJFSA-N 228.291 2.205 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 106931640 PJGRLHKICHVEIJ-NWDGAFQWSA-N 220.268 2.362 0 40 BEAB Nc1cccnc1Nc1cccc(C(=O)O)c1 146396770 UNXDLSFVWYOFCA-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB Cc1c(Cl)cnn1CCC1CCNCC1 157621121 HGGFSGYFYHZCPF-UHFFFAOYSA-N 227.739 2.235 0 40 BEAB NN[C@H](c1ccccc1)c1cccc(F)c1 161807805 QBPUXNSLSCCZMO-CYBMUJFWSA-N 216.259 2.378 0 40 BEAB C1=CC[C@H](CN2CCCC3(C2)OCCO3)CC1 184721961 FMHRNLGIJHJQQL-ZDUSSCGKSA-N 237.343 2.182 0 40 BEAB CCOP(=O)(OCC)c1ccccc1CN 198943739 VSISLYYGGKIMGV-UHFFFAOYSA-N 243.243 2.037 0 40 BEAB COC(=O)C1(c2ccccc2)CCC(O)CC1 217635389 MNUZHMZTCYFLAG-UHFFFAOYSA-N 234.295 2.032 0 40 BEAB OCc1ccc2c(c1)N[C@H](C(F)(F)F)C2 238691230 NOCFLWJIOOJVBA-VIFPVBQESA-N 217.190 2.078 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@H]2O)C1 306145905 VDXFMZNGCMQHJO-GXFFZTMASA-N 241.331 2.158 0 40 BEAB CC1(Cn2ccc(C(C)(C)C)cc2=O)COC1 352042400 OPAAQGHTFXHIKX-UHFFFAOYSA-N 235.327 2.182 0 40 BEAB CC(C)COCc1ccn(CC(F)F)n1 408715633 YCQWCTNDACNZGS-UHFFFAOYSA-N 218.247 2.321 0 40 BEAB Cc1ncc(OCC2CC2)c(C(=O)O)c1C 685937008 GTQJQFKCZGVFDO-UHFFFAOYSA-N 221.256 2.185 0 40 BEAB CC(C)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 1615192251 NCCBZPLQXOZSJD-CABCVRRESA-N 233.355 2.320 0 40 BEAB O=C(c1ccncc1)N1[C@H]2CC[C@H]1CC(F)C2 1775994975 XUSANKGPMRTBRS-RYUDHWBXSA-N 234.274 2.187 0 40 BEAB CSc1nccc(=NCc2ccccc2F)[nH]1 1889133883 AXXYOMQLKJJSBI-UHFFFAOYSA-N 249.314 2.372 0 40 BEAB CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 2041544841 BYZXGBSVTUJAKJ-QWHCGFSZSA-N 237.343 2.370 0 40 BEAB biogenic O=C(Nc1ccncc1)c1ccc(F)cc1 854689 DPMZMSGLJJFLMW-UHFFFAOYSA-N 216.215 2.473 0 40 BEAB CC1(C)CN(c2ccc(Cl)cn2)C1=O 1387667 KKYNWSMKWAJEMG-UHFFFAOYSA-N 210.664 2.108 0 40 BEAB CCOC(=O)[C@H](C)[C@@H](O)C1CCCCC1 1672474 DHUTYWZACOLLEJ-MWLCHTKSSA-N 214.305 2.127 0 40 BEAB COc1cc2ccnc(C=O)c2cc1OC 1729425 UHZKUBULBNDNTD-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB Cc1coc2c(c1=O)C(=O)CC(C)(C)C2 4039187 WKZUCWKHKJHMGO-UHFFFAOYSA-N 206.241 2.103 0 40 BEAB biogenic CNC(=S)Nc1cccc(SC)c1 6331359 UQIHNEDXHVTOAV-UHFFFAOYSA-N 212.343 2.325 0 40 BEAB COc1ccc(C(=O)NCc2ccco2)c(F)c1 7124018 WVDWYATXXUKDPC-UHFFFAOYSA-N 249.241 2.357 0 40 BEAB Clc1cccc(CNn2cnnc2)c1Cl 7601173 XFAUFAROIDBKCG-UHFFFAOYSA-N 243.097 2.329 0 40 BEAB CC[C@H](C)n1c2c(c(=S)[nH]c1=O)CCC2 8737545 FUKVSCHATSDMHG-ZETCQYMHSA-N 224.329 2.366 0 40 BEAB COc1ccc(-n2nc(C3CC3)cc2N)cc1 12396066 XLCAVNCSTMDNAP-UHFFFAOYSA-N 229.283 2.341 0 40 BEAB Cc1cc(=O)[nH]c2nn(C3CCCC3)c(C)c12 12397842 HYMHINRGJKITJF-UHFFFAOYSA-N 231.299 2.457 0 40 BEAB COC(=O)[C@]1(C)CC(F)(F)[C@]1(F)Cl 15442381 VGWGXHZRSLQQGI-FSPLSTOPSA-N 216.586 2.109 0 40 BEAB COc1ccccc1[C@@H](C(=O)O)N1CCCCC1 16719055 VMMKOQJSDTUOCD-ZDUSSCGKSA-N 249.310 2.307 0 40 BEAB O=C(c1ccc(O)c(Cl)c1)N1CCCC1 19836903 MTQTVKWQIWHNQE-UHFFFAOYSA-N 225.675 2.282 0 40 BEAB in-vitro CCCN(CCC)c1ncccc1C(=O)O 19844716 CHKYSWMJQMMEAP-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB O=C(O)c1nn(-c2cccc(F)c2)c2c1CCC2 21962431 SKEMDXFVYOXUAB-UHFFFAOYSA-N 246.241 2.198 0 40 BEAB Cc1cccc(-c2cc(C(=O)O)no2)c1 26547634 SSWVSFRKJMROOS-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB COC(=O)c1cc2c(SC)nccc2[nH]1 30677888 DHWYJHGICRZSGO-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB COCSc1ncnc2sccc12 32945199 YFVLHGXCUKXDOA-UHFFFAOYSA-N 212.299 2.387 0 40 BEAB O=C(O)c1c(Cl)cnc(Cl)c1F 34600005 XXKZEJNVNFYDAP-UHFFFAOYSA-N 209.991 2.226 0 40 BEAB O=C(O)C[C@H]1CCCN(Cc2ccccc2)C1 34963073 QJHMRAUNAZTRTG-CYBMUJFWSA-N 233.311 2.373 0 40 BEAB Cc1noc(CN(C)Cc2ccccc2)n1 42243203 IJSUGPYFYZWKAX-UHFFFAOYSA-N 217.272 2.010 0 40 BEAB CCC[C@@H](N)CN(CC)Cc1ccncc1 42516914 GDQFDTOBHQYZQZ-CYBMUJFWSA-N 221.348 2.031 0 40 BEAB c1ccc2c(c1)CCN(CC[C@H]1CCCNC1)C2 42783380 ZWSWMTUJAXTPMR-CQSZACIVSA-N 244.382 2.434 0 40 BEAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(O)c1 49545428 QPAMSFAGDIGEJV-JTQLQIEISA-N 243.266 2.249 0 40 BEAB Cc1ccccc1[C@H](C)NC(=O)C1(C(=O)O)CC1 50292134 MXQUXDCBHANHGP-JTQLQIEISA-N 247.294 2.037 0 40 BEAB CCc1cc(Br)c(O)c(C(=O)O)c1 57339063 JVDKULIELOWLNM-UHFFFAOYSA-N 245.072 2.415 0 40 BEAB CNCCCNCc1ccc(Cl)cc1 57362411 QHRHMKMBWUQUBB-UHFFFAOYSA-N 212.724 2.039 0 40 BEAB O[C@H]1Cc2ccccc2[C@H]1NCc1cccs1 65274914 VXRCVOULUBFHKG-UONOGXRCSA-N 245.347 2.496 0 40 BEAB COC[C@@H](OC)c1ccc([C@@H](C)O)cc1 72220051 HZBXRAFNPGZPAW-BXKDBHETSA-N 210.273 2.074 0 40 BEAB CCc1noc([C@@H](C)Sc2ncc[nH]2)n1 78931876 DEBCGJJHNZQYMI-ZCFIWIBFSA-N 224.289 2.208 0 40 BEAB COc1ccccc1C(=O)OCC[C@H](C)OC 78949320 AMIFRZPEKVSIMJ-JTQLQIEISA-N 238.283 2.277 0 40 BEAB Fc1ccccc1CN[C@@H]1CCCOCC1 83424460 NDHAOKHNBRDTGP-GFCCVEGCSA-N 223.291 2.484 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](N)CC1(C)C 84506516 XEDCFYKXFOXJOD-SECBINFHSA-N 228.336 2.123 0 40 BEAB CC1CCC(O)(CN(C)[C@H]2CCSC2)CC1 89936599 WXQVKFCWQIHPNF-CPCZMJQVSA-N 243.416 2.365 0 40 BEAB CN(C)Cc1ccc(Cl)nc1Cl 90413131 QRWKTDIHROBTSG-UHFFFAOYSA-N 205.088 2.450 0 40 BEAB COc1ccccc1CN1CC[C@@]2(CCOC2)C1 93820609 HUTZDZVZOYTBSI-OAHLLOKOSA-N 247.338 2.308 0 40 BEAB O=C1CS/C(=C\c2nc3ccccc3s2)N1 96298885 XJWRTKVKIVPNKO-YHYXMXQVSA-N 248.332 2.458 0 40 BEAB N=C(N)S[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21 103952751 SJARSYVTIJIHGH-SQQIUAQRSA-N 208.330 2.214 0 40 BEAB Cc1cc(C(=O)N(C)C)c(Cl)cc1F 104270781 VKMXLPOKUFNMAU-UHFFFAOYSA-N 215.655 2.489 0 40 BEAB COC(=O)c1ccc(C(=O)OCC=C(C)C)o1 195549706 RHRHGIAULMSQOV-UHFFFAOYSA-N 238.239 2.189 0 40 BEAB Cc1ccc(CN[C@@H]2CCCC[C@H]2N)cc1 218854719 ONBQDJOJQCEANE-ZIAGYGMSSA-N 218.344 2.355 0 40 BEAB CC(C)CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@H]12 228923569 RGPRDWNRZKFZSV-ZYHUDNBSSA-N 222.332 2.366 0 40 BEAB CC(C)(C)OC(=O)NCC12CCC(N)(CC1)C2 306145477 GMIIARYUGIXITJ-UHFFFAOYSA-N 240.347 2.173 0 40 BEAB Fc1ccc2nc(N[C@@]34COC[C@@H]3C4)oc2c1 895194629 GEJBCHBSOPZUAP-MADCSZMMSA-N 234.230 2.168 0 40 BEAB Cc1ccccc1OC[C@]1(O)CCN(C(C)C)C1 1615140095 BWRPUUNHNMANDI-HNNXBMFYSA-N 249.354 2.219 0 40 BEAB CC(=O)C[C@H](C(=O)O)c1c[nH]c2ccccc12 518056 BKIUZZPRRUFEPJ-JTQLQIEISA-N 231.251 2.315 0 40 BEAB biogenic Nc1nc(Cl)cc(Nc2ccccc2)n1 1398036 RWJSOYGVBODASE-UHFFFAOYSA-N 220.663 2.456 0 40 BEAB Cc1ccc(Nc2cc(N)nc(N)n2)cc1Cl 1681551 RUXYUHJTUKIYJQ-UHFFFAOYSA-N 249.705 2.346 0 40 BEAB CN(C)C(=N)c1ccc(Br)cc1 4014037 WSNZLQVYRNENJU-UHFFFAOYSA-N 227.105 2.336 0 40 BEAB C[C@@H]1[C@H]2CC[C@]1(c1ccccc1)C(=O)O2 4023528 LNMNSKLQCMUAGQ-XWIASGKRSA-N 202.253 2.280 0 40 BEAB O[C@@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 4025781 JFIGMNBDLSGWHQ-RFQIPJPRSA-N 223.360 2.412 0 40 BEAB CCCCCN1CCC[C@@H](OC(=O)N(C)C)C1 5203236 JCVNEDPQGZFHAT-GFCCVEGCSA-N 242.363 2.339 0 40 BEAB Cc1n[nH]c(NC(N)=S)c1-c1ccccc1 5818106 HTKOIYVRJJPOLJ-UHFFFAOYSA-N 232.312 2.041 0 40 BEAB Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1F 8132538 QFQSZNABFLDLMT-UHFFFAOYSA-N 245.319 2.211 0 40 BEAB CCOc1ncccc1C(=O)NCc1ccco1 9051258 LIPKBSLKWGQEJL-UHFFFAOYSA-N 246.266 2.003 0 40 BEAB c1ccc(-c2noc(-c3cnccn3)n2)cc1 9476728 LBTQMMSMGPEAQF-UHFFFAOYSA-N 224.223 2.194 0 40 BEAB Cc1nc2c(c(NCc3ccccn3)n1)CCC2 11907707 FFOBHHKESZMHRD-UHFFFAOYSA-N 240.310 2.281 0 40 BEAB c1ccc2c3c([nH]c2c1)[C@@H](c1nnn[nH]1)CCC3 12360261 YHYKGFZOFABBRE-JTQLQIEISA-N 239.282 2.149 0 40 BEAB O=C(COc1ccc2c(c1)CCC2)N1CCCC1 12917538 NILKLWUQLAUALG-UHFFFAOYSA-N 245.322 2.177 0 40 BEAB CC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1 12984703 DAIXOBOLJXQGAI-UHFFFAOYSA-N 238.262 2.379 0 40 BEAB Fc1ccc(OC[C@H]2CCCNC2)cc1F 14631332 UCJMEWZREBHROG-VIFPVBQESA-N 227.254 2.343 0 40 BEAB in-vitro COC(=O)c1cc(OC(F)(F)F)ccc1O 15446184 BBDLKMOBRCADAO-UHFFFAOYSA-N 236.145 2.077 0 40 BEAB O=C(O)c1ccc(CN2CCCCC2)s1 16943908 UCPHKICHEXJNKW-UHFFFAOYSA-N 225.313 2.432 0 40 BEAB in-vitro Nc1ccc2oc(C(F)(F)F)nc2c1 19475051 FLWWHTTZBXDGEQ-UHFFFAOYSA-N 202.135 2.429 0 40 BEAB in-vitro N=C(N)c1cccnc1Oc1ccccc1 19475759 BUFGYRHROUHOAZ-UHFFFAOYSA-N 213.240 2.158 0 40 BEAB CCNC(=O)[C@H](CC)Oc1ccccc1C 19931997 GSUGPAATPFVWHB-NSHDSACASA-N 221.300 2.289 0 40 BEAB Nc1c2c(nc3ccccc13)OCCC2 27416395 AOWLKNQZYMUMEF-UHFFFAOYSA-N 200.241 2.142 0 40 BEAB Cn1ccnc1SCc1cccnc1 27632183 QCVZVRSBFSTHHA-UHFFFAOYSA-N 205.286 2.107 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(F)c(F)c1 28210408 WUDPMGQCGXBDGP-ZETCQYMHSA-N 213.227 2.493 0 40 BEAB O=C(O)CCC(=O)N1CCCCc2ccccc21 32918730 XCEOETSOQLSHMA-UHFFFAOYSA-N 247.294 2.221 0 40 BEAB Brc1ccc(-c2cc[nH]n2)nc1 35323225 HTQYPOCKOBSRSX-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB in-vitro C[C@@H](Cc1cccs1)NC(=O)C1CC1 36392292 ZTNQZDVTISVNKZ-QMMMGPOBSA-N 209.314 2.205 0 40 BEAB O=C(O)c1cnn(CC2CCCCC2)c1 36777963 BUIWTAWFCROXRE-UHFFFAOYSA-N 208.261 2.162 0 40 BEAB in-vitro NCCOc1ccc(NC(=O)C2CCCC2)cc1 36987847 JQSQGTHXZGVFRL-UHFFFAOYSA-N 248.326 2.153 0 40 BEAB C=CC(=O)N(C)[C@H](C)c1ccccc1OC 37830453 YGZGKBQNQWDJKD-SNVBAGLBSA-N 219.284 2.401 0 40 BEAB Cc1c[nH]c(=O)n1-c1ccc(Cl)cc1 38342254 XZQAVWFWSKZTSD-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB in-vitro CNCc1cnn(-c2cccc(Cl)c2)c1 38342394 JNHYNAWFDARSOO-UHFFFAOYSA-N 221.691 2.245 0 40 BEAB in-vitro O=C(O)C(F)(F)c1ncccc1C(F)(F)F 40447930 OSXHWSBTALEFQU-UHFFFAOYSA-N 241.115 2.277 0 40 BEAB O=C(NCCc1ccco1)NC1CCCC1 40477792 IMNJJDIQPJPVQX-UHFFFAOYSA-N 222.288 2.064 0 40 BEAB CC(C)C(=O)N(Cc1ccccn1)C1CC1 40489432 KGPMPHHZESFBDI-UHFFFAOYSA-N 218.300 2.229 0 40 BEAB O[C@H](CNc1ncccn1)c1ccc(Cl)cc1 40496337 HIFUQMQZLDHTMA-LLVKDONJSA-N 249.701 2.276 0 40 BEAB Cc1cc(NC(=O)OC(C)(C)C)ncc1N 41040536 KZPTUBJMWUZJEF-UHFFFAOYSA-N 223.276 2.319 0 40 BEAB O[C@]1(C(F)(F)F)CCc2ccccc21 43367880 RLRMXTVZEDMFHB-SECBINFHSA-N 202.175 2.383 0 40 BEAB CCCNC(=O)CCOc1cccc(F)c1 45169864 KCFVQDFQDVXUIN-UHFFFAOYSA-N 225.263 2.121 0 40 BEAB Cc1occc1C(=O)NCCc1ccco1 48365815 FUBQINWYYNCJSW-UHFFFAOYSA-N 219.240 2.154 0 40 BEAB C[C@H](CC(=O)Nc1ncccc1O)C1CC1 49086672 UWWMHGPSKGLMRK-MRVPVSSYSA-N 220.272 2.162 0 40 BEAB CNC[C@H]1C[C@H]1c1cc(OC)ccc1OC 54588807 PJAWTBPNBFIOAB-MWLCHTKSSA-N 221.300 2.027 0 40 BEAB CC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57514579 LVAJVEXGXPATDJ-MNOVXSKESA-N 222.215 2.019 0 40 BEAB COC[C@@H](C)NC(=O)Nc1ccccc1Cl 58247429 YEDHCKIBGXOUQW-MRVPVSSYSA-N 242.706 2.496 0 40 BEAB CCN(CC)C(=O)c1ccc(OC)c(F)c1 70243068 GCTLRNZJPZQLCA-UHFFFAOYSA-N 225.263 2.316 0 40 BEAB CC(C)CN1CCC[C@@H]1c1cccnc1N 72212421 HHMXSNMTRRKTPH-GFCCVEGCSA-N 219.332 2.457 0 40 BEAB COCCOC[C@@H]1CCN([C@H]2C=CCCC2)C1 75949839 PLRZOMPXTVHEEP-KGLIPLIRSA-N 239.359 2.080 0 40 BEAB C[C@@H](OC1CCCCCC1)C(=O)N(C)C 89368707 IHGYZWNBYGCSIP-SNVBAGLBSA-N 213.321 2.203 0 40 BEAB COCc1noc(C2(c3ccccc3F)CC2)n1 89420410 GWSCPFSVLUXSCV-UHFFFAOYSA-N 248.257 2.435 0 40 BEAB CCn1cccc1-c1noc([C@H]2CCCNC2)n1 96531614 DNFPDPZFCCIGLO-JTQLQIEISA-N 246.314 2.025 0 40 BEAB Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)no1 102873531 HZKXLFNCQIAVIA-GFCCVEGCSA-N 234.299 2.388 0 40 BEAB c1ccc(CN2CCN[C@@H]3CCCC[C@H]32)cc1 108363582 VQTUQZIOKKIGLU-HUUCEWRRSA-N 230.355 2.403 0 40 BEAB in-vitro CO/C=C\c1cccnc1Br 218235722 KUNAEAAAKMZQGY-XQRVVYSFSA-N 214.062 2.461 0 40 BEAB CCCn1ncc(Cl)c1C(=O)OCC 233406118 YCEWLBCOAZONDH-UHFFFAOYSA-N 216.668 2.123 0 40 BEAB Cc1ncnc2[nH]cc(C(F)(F)F)c12 238503277 JBHPOWGJGXMDHJ-UHFFFAOYSA-N 201.151 2.285 0 40 BEAB O=C(O)[C@H]1NCC2(CCCC2)c2ccccc21 725239547 VUQWHDSXHPUEHB-LBPRGKRZSA-N 231.295 2.227 0 40 BEAB Cc1nn(C)cc1CNc1ccccc1F 2536166 YZQSCDXIKNNLJM-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB S=C(NCCN1CCCC1)Nc1ccccc1 5582288 CESFFQNRZCJBFX-UHFFFAOYSA-N 249.383 2.069 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=S)NC1CC1 6330470 ANMZJIXUPYVJMT-WCBMZHEXSA-N 212.362 2.192 0 40 BEAB Cc1ccc(-n2cc[nH]c(=S)c2=O)cc1 8804335 XAANDACGWILISG-UHFFFAOYSA-N 218.281 2.204 0 40 BEAB NCC1(c2cccc(Cl)c2)CCOCC1 11884129 MCNMFDXKDMPQQI-UHFFFAOYSA-N 225.719 2.347 0 40 BEAB in-vitro CCCCc1ccc(Nc2cn[nH]c(=O)n2)cc1 11991499 KANFMHKHOZKAMU-UHFFFAOYSA-N 244.298 2.251 0 40 BEAB Cc1cccc(CC(=O)N[C@H](C)[C@H]2CCCO2)c1 13320070 MVPYMUWRFGFCQJ-TZMCWYRMSA-N 247.338 2.221 0 40 BEAB CSc1nc2[nH]c(=S)[nH]c2c(=S)[nH]1 16969114 JSAISLSAHDZRIP-UHFFFAOYSA-N 230.343 2.400 0 40 BEAB O=C(O)c1nc(OCC2CC2)ccc1Cl 19965828 SBSICDYGNMASIM-UHFFFAOYSA-N 227.647 2.222 0 40 BEAB CCCCC(=O)NCc1ccc2c(c1)OCCO2 21911167 OVFLBAFDTUCNKB-UHFFFAOYSA-N 249.310 2.264 0 40 BEAB C[C@H](NC(=O)c1ccnc(Cl)c1)C1CC1 25595641 LZBXXHXEYKLSBN-ZETCQYMHSA-N 224.691 2.263 0 40 BEAB NCCN(Cc1ccc(Cl)cc1)C1CC1 32014910 VCHKXVRQPIRIAK-UHFFFAOYSA-N 224.735 2.263 0 40 BEAB CC(C)c1cc(C(=O)O)nn1C(C)(C)C 32625179 ICNOHADSZLWBAY-UHFFFAOYSA-N 210.277 2.460 0 40 BEAB in-vitro CC(C)C[C@@H](C)N(C)C(=O)n1ccnc1 32779628 LJCSTQABPABLJD-SNVBAGLBSA-N 209.293 2.218 0 40 BEAB NC(=O)c1cccc(CSc2ccccn2)c1 32827029 RQMYOZNRSQAVIT-UHFFFAOYSA-N 244.319 2.473 0 40 BEAB C=CCCOC(=O)c1ccc(C(=O)O)cc1 33605161 TYARZXLQTHCHIP-UHFFFAOYSA-N 220.224 2.118 0 40 BEAB CCC[C@@H]1NCCN(C(=O)OC(C)(C)C)[C@H]1C 34781546 OEBUSDBRXUSYID-QWRGUYRKSA-N 242.363 2.384 0 40 BEAB O=C(O)[C@](O)(c1ccccc1)c1cccs1 37632287 BIHFCPRVAAVAPP-LBPRGKRZSA-N 234.276 2.069 0 40 BEAB in-vitro COCc1ccccc1C(=O)Nc1ccncc1 40086588 XVZVCIVWRJFGPA-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB Cc1cc([C@@H]2CCCN2Cc2nnc(C)o2)on1 48275670 RIWBXPROZQXCIW-JTQLQIEISA-N 248.286 2.012 0 40 BEAB CCN[C@H](c1ccccc1)[C@@H]1CCOC1 48624488 XUEJOCIXALVVRQ-CHWSQXEVSA-N 205.301 2.374 0 40 BEAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(O)cc1 49548706 XDBWFEXDSGMXPY-SNVBAGLBSA-N 243.266 2.249 0 40 BEAB CC(C)n1cc(NCc2cccn2C)cn1 61682339 BHHLGZFDZNHMCW-UHFFFAOYSA-N 218.304 2.415 0 40 BEAB Cc1cnn(CCNCc2ccc(Cl)o2)c1 69951438 RUVBVBIWNJLSJP-UHFFFAOYSA-N 239.706 2.228 0 40 BEAB Cc1cc([C@H](C)N)cnc1N1CCCCC1 72222464 GVBYJKSIGGUDSV-NSHDSACASA-N 219.332 2.400 0 40 BEAB CC(C)(NC(=O)NCc1ccncc1)C1CC1 72312630 MOOWLAOSVSXNLE-UHFFFAOYSA-N 233.315 2.069 0 40 BEAB Cc1ccnc([C@@H]2CCCN2C2CCOCC2)n1 72381930 IUQYYZANMKKGEE-ZDUSSCGKSA-N 247.342 2.101 0 40 BEAB Cc1cc(C(=O)O)n(-c2cccc(F)c2)n1 77329684 QQRGKMYCQHDEGV-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB CCOCCC(=O)Nc1cc(CC)ccc1O 80656288 UFDYTZWTKARZJY-UHFFFAOYSA-N 237.299 2.320 0 40 BEAB CC(C)CN(C)[C@H](C)CNC(=O)OC(C)(C)C 84510917 TXOXSMNVDVCKLA-LLVKDONJSA-N 244.379 2.487 0 40 BEAB Cc1c(Cl)ccc2c1N(CC(=O)O)CCC2 84788736 NUKWTQYEIKMSQL-UHFFFAOYSA-N 239.702 2.486 0 40 BEAB CCOC(=O)c1ncsc1C(F)(F)F 95804009 ITLCVRWHHVATKO-UHFFFAOYSA-N 225.191 2.339 0 40 BEAB Oc1cccc(C2OCCO2)c1Br 96032279 TTYJRRVBSDEWIN-UHFFFAOYSA-N 245.072 2.200 0 40 BEAB N[C@]12C[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 96054892 XHWADQIBDOKNPJ-CABZTGNLSA-N 240.709 2.012 0 40 BEAB CC[C@H](Cc1ccccc1)N(C)CCC(=O)NC 96424583 KHXOYOBXPGLBNO-CQSZACIVSA-N 248.370 2.076 0 40 BEAB O=C(O)[C@H]1CCCN(c2nccc3ccoc23)C1 96517476 FUCMMWJISKKVPC-JTQLQIEISA-N 246.266 2.129 0 40 BEAB C[C@H](CNC(=O)C1CCCCCC1)CC(=O)O 97016303 WBCUFWICIDKPEU-JTQLQIEISA-N 241.331 2.184 0 40 BEAB O=c1o[nH]c2c1cnc1cc(Cl)ccc12 100889144 TZYARMUOZCABSL-UHFFFAOYSA-N 220.615 2.323 0 40 BEAB NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]2C=C[C@H]1C2 102885009 BKESXHFXVXCRRP-CYDGBPFRSA-N 213.280 2.078 0 40 BEAB O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@@H]1F 144247090 CBVCQKFZRIJARM-QWRGUYRKSA-N 233.242 2.173 0 40 BEAB COc1cccc([C@@H]2C[C@H]2[C@@H](C)O)c1OC 216295099 FZMUAEIULPUYBQ-MIMYLULJSA-N 222.284 2.188 0 40 BEAB Cc1c(F)cccc1N1CCN[C@@H]2CCC[C@H]21 218847324 QINLAUWQAQYXRC-TZMCWYRMSA-N 234.318 2.465 0 40 BEAB Cc1ccnc(OC[C@@H]2CCCOC2)c1 585654241 FWKPCAOMCHFTBB-LLVKDONJSA-N 207.273 2.195 0 40 BEAB COC(=O)C1(c2ccc(C)c(C)c2)CC(=O)C1 685936979 GOJMCFGPSLQKCR-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB O[C@]1(C(F)(F)F)CCCc2cccnc21 716231741 PSEBVTDNBYLYKF-SECBINFHSA-N 217.190 2.168 0 40 BEAB CC(C)C1(C)CCN(C[C@H]2C[C@@H](N)C2)CC1 904348584 SGJMHWSDDHWRLB-BETUJISGSA-N 224.392 2.482 0 40 BEAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C)O[C@@H]3C2)C1 1565549327 VOADHXRVVHMDOO-APSDNXJZSA-N 237.343 2.058 0 40 BEAB Cc1ccc(NC(=O)c2ncnc(C)c2C)nc1 1888843753 DBVFKAXOEXQIIE-UHFFFAOYSA-N 242.282 2.049 0 40 BEAB Cc1cccc(C)c1NC(=O)CN1CCCC1 2011 OYCGKECKIVYHTN-UHFFFAOYSA-N 232.327 2.338 0 40 BEAB in-man COC[C@@H]1N=C(C)O[C@@H]1c1ccccc1 32316 AKFIXTAIQHJWAU-NWDGAFQWSA-N 205.257 2.191 0 40 BEAB c1cc[n+](Cc2cccc3nsnc23)cc1 1504075 NMDCVJBYVLWFLL-UHFFFAOYSA-N 228.300 2.027 0 40 BEAB CCCCCC[C@H](O)CCOC(C)=O 2048317 RTYFAKSWXDNPPU-NSHDSACASA-N 202.294 2.271 0 40 BEAB endogenous,in-man COC(=O)c1cc2cc(F)ccc2n1C 8417161 MPXHDUXAMCENAN-UHFFFAOYSA-N 207.204 2.104 0 40 BEAB CCOc1cc(Br)cc(CO)c1O 8727673 NVJBBTUUQVWJBP-UHFFFAOYSA-N 247.088 2.046 0 40 BEAB Cc1nnc(SC2CCC(N)CC2)s1 55143805 OWKQCJXQEDIQDA-UHFFFAOYSA-N 229.374 2.209 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21704117 MYZYTWQMIGKQLN-GFCCVEGCSA-N 247.294 2.141 0 40 BEAB O=C(NCCCN1CCCCCC1)C1CCC1 57288853 FDZUNECUXVGMQU-UHFFFAOYSA-N 238.375 2.169 0 40 BEAB CC(=O)c1c(C)c2c(C)cc(O)cc2oc1=O 57312273 YXPYHWXXSBFXOJ-UHFFFAOYSA-N 232.235 2.318 0 40 BEAB COc1ccc(C(C)(C)CC(=O)O)cc1 1765880 LFQSLLJGDHNKAR-UHFFFAOYSA-N 208.257 2.448 0 40 BEAB Nc1ccc2c(c1)CN(CC(F)(F)F)C2 36683535 JESIGGUZBUVBCP-UHFFFAOYSA-N 216.206 2.147 0 40 BEAB COc1cc(N)ccc1NC(=O)C1CCCC1 8703544 FBGHZSNLVPMPDJ-UHFFFAOYSA-N 234.299 2.406 0 40 BEAB CCCCNC(=O)Cc1ccc(OC)cc1 5419710 JPMSCVCIXXEVNN-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB Cc1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 5547943 CRTSCPLAEBMXEI-TXEJJXNPSA-N 233.311 2.244 0 40 BEAB CN(C)C[C@H](O)COc1cccc2ccccc12 4951873 NRIDRINPRIUAKP-ZDUSSCGKSA-N 245.322 2.141 0 40 BEAB c1cnc(NCCCNCc2cccs2)nc1 83474526 OGMKLDUXTWTOPF-UHFFFAOYSA-N 248.355 2.130 0 40 BEAB C[C@H]1CN(Cc2cccc(O)c2)C(C)(C)CO1 97139401 BGKAKNWJGDXPAZ-NSHDSACASA-N 235.327 2.392 0 40 BEAB CC(C)N(CC(=O)O)c1ccc(F)cc1 97019925 HQNXPMRYLJJPRL-UHFFFAOYSA-N 211.236 2.125 0 40 BEAB CCn1cc(Br)cc1C(=O)OC 69565763 KSTXOCIEUQYFAF-UHFFFAOYSA-N 232.077 2.057 0 40 BEAB CC(C)(C)C(=O)NC[C@@H](C(=O)O)c1ccccc1 61608469 RVHMXWQEVCHZPF-LLVKDONJSA-N 249.310 2.017 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2O1 32907083 CNPUNKIUFHUBDA-IINYFYTJSA-N 245.322 2.247 0 40 BEAB Cc1ccccc1[C@](C)(CO)N1CCCC1 70453405 DHTJXKYDYAABLI-AWEZNQCLSA-N 219.328 2.298 0 40 BEAB O=Cc1cccc(O[C@H]2CCCCO2)c1 38283713 CUOBWSLIFAJGNN-LBPRGKRZSA-N 206.241 2.405 0 40 BEAB CCN(C)c1ncccc1[C@@H]1CCCCN1 72212788 VSDKTIDMPTZMLV-LBPRGKRZSA-N 219.332 2.352 0 40 BEAB CN1CCC(Nc2nc3ccccc3[nH]2)CC1 34344975 KSIGDPOLDAZXKD-UHFFFAOYSA-N 230.315 2.069 0 40 BEAB Nc1nnc(S[C@H]2CCCCCC2=O)s1 29302969 XAAFDSKUDMQYEU-ZETCQYMHSA-N 243.357 2.114 0 40 BEAB CC(C)Cc1ccc(C2=NO[C@@H](C(=O)O)C2)cc1 71980969 CYHCRKFRXAEUFP-CYBMUJFWSA-N 247.294 2.463 0 40 BEAB CC(C)C(=O)N1CCCC[C@H]1c1cnccn1 72187648 FHUDDNYTRJPRNT-LBPRGKRZSA-N 233.315 2.186 0 40 BEAB Cc1ccc(CNC(=O)C2CCC2)s1 40541692 WOOMINFYAQXJJS-UHFFFAOYSA-N 209.314 2.473 0 40 BEAB CCOC(=O)c1ncc(-c2ccncc2)s1 199567685 BDMOMFVDIDIQFK-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB CC(=O)N1CCC(OC2CCCCC2)CC1 89930490 SOWGDLLOSJYSRN-UHFFFAOYSA-N 225.332 2.347 0 40 BEAB COc1ccc(CC(=O)O)cc1OC(C)(C)C 96024930 DGSNIQUUYZLZMB-UHFFFAOYSA-N 238.283 2.500 0 40 BEAB Cn1ccc2c(C(=O)O[C@@H]3CCOC3)cccc21 98013022 ZQHPLXFXOAVDRH-SNVBAGLBSA-N 245.278 2.124 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2OC[C@H](C)[C@H]21 242722773 XUJUJWPNVYKNBP-VLEAKVRGSA-N 212.289 2.001 0 40 BEAB O=C(O)c1ccnc(-c2cccc(Cl)c2)n1 54792819 JYYUZXXZLABMHW-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB Oc1nnnn1-c1ccc(-c2ccccc2)cc1 584884012 UKQFSIATYWWDIS-UHFFFAOYSA-N 238.250 2.035 0 40 BEAB Clc1cccnc1OC[C@@H]1CCCNC1 51883045 SKWXFPVOABRKBB-SECBINFHSA-N 226.707 2.113 0 40 BEAB COc1cc2[nH]cc(OC(C)=O)c2cc1OC 101443308 NCOLVATUTLFBHC-UHFFFAOYSA-N 235.239 2.110 0 40 BEAB Cc1cncc(Oc2cccc(CN)c2)n1 12370722 PJVRJIDLKXDROC-UHFFFAOYSA-N 215.256 2.036 0 40 BEAB in-vitro NC1(c2cccc(C(F)(F)F)c2F)COC1 1776011100 DCMVVZBZEKSTSY-UHFFFAOYSA-N 235.180 2.029 0 40 BEAB O=C1NC(=O)/C(=C/CCc2ccccc2)S1 19691436 PMTZNHWXBVBFLC-NTMALXAHSA-N 233.292 2.486 0 40 BEAB CCONC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 40476693 VKSQOZWFRYXPCR-ONGXEEELSA-N 237.299 2.403 0 40 BEAB CNC[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 40594527 BNJGRFWBJQOWRS-CYBMUJFWSA-N 246.354 2.067 0 40 BEAB CCCn1nccc1C(=O)NC1CCCCC1 28222362 DAAXCLHTCARVOR-UHFFFAOYSA-N 235.331 2.356 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)CNC(C)(C)C 32738466 URTYOJAHVCKHCU-GHMZBOCLSA-N 226.364 2.069 0 40 BEAB CC[C@]1(C)CCCN(C(=O)C(C)(C)CN)CC1 195543538 CPLOZHWRDMRHLG-CQSZACIVSA-N 240.391 2.400 0 40 BEAB O=C(O)[C@@H](O)c1ccc(Cl)cc1Cl 2036908 YBOCBYSVZOREGT-ZETCQYMHSA-N 221.039 2.111 0 40 BEAB Nc1ccc(NC(=O)C2CC2)c(Cl)c1 20157139 FVRSZVBRTBGQDJ-UHFFFAOYSA-N 210.664 2.271 0 40 BEAB CC(C)=CC(=O)NCCc1ccsc1 40509482 JGPVZCVBXBLSBB-UHFFFAOYSA-N 209.314 2.373 0 40 BEAB NC(=O)c1cc2c(nc1-c1ccsc1)CCC2 32580918 PPZXBZCXVGGBOF-UHFFFAOYSA-N 244.319 2.398 0 40 BEAB O=C(NCc1cccnc1)c1ccccc1 304623 HRKKGFODPBEUJP-UHFFFAOYSA-N 212.252 2.012 0 40 BEAB CC(C)N1CCN(C(=O)CC2CCCC2)CC1 32770109 QIVCXXLKGWIAGS-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB O=C(Nc1ccnn1C1CCCC1)[C@@H]1CCCO1 32739313 CDKWEUZIBORXAU-NSHDSACASA-N 249.314 2.116 0 40 BEAB O=C(Cc1ccc(Cl)cc1)Nc1ncccn1 30531 RHMYHGQXWBKCMJ-UHFFFAOYSA-N 247.685 2.311 0 40 BEAB CCN(CC)NC(=S)NC1CCCCC1 37280 RYMNDDVCVHFALK-UHFFFAOYSA-N 229.393 2.040 0 40 BEAB C[C@]12CCCC[C@]13NC(=O)CN3c1ccccc12 52228 BNTKETXJVKCBBV-HUUCEWRRSA-N 242.322 2.164 0 40 BEAB biogenic O[C@H]1[C@H]2CCC[C@@H]1CC[C@H]2N1CCCCC1 171826 JFIGMNBDLSGWHQ-XJFOESAGSA-N 223.360 2.412 0 40 BEAB CCc1ccccc1NC(=O)[C@@H]1CCCO1 1480330 PDJPGHWLMPBBMV-LBPRGKRZSA-N 219.284 2.367 0 40 BEAB CCCCCC[C@@H](C)OC(=O)[C@@H](C)O 1591821 QOJLBDMAKOJFNZ-NXEZZACHSA-N 202.294 2.269 0 40 BEAB COc1ccc2c(c1)C(C)(C)C[C@@H](NO)C2 1615621 MXJOIUPBLWEYOD-JTQLQIEISA-N 221.300 2.266 0 40 BEAB O=C1C[C@H](c2cccs2)Sc2nncn21 3187085 SFCFDLXNJHUBNZ-SSDOTTSWSA-N 237.309 2.217 0 40 BEAB CC(C)c1ccc(N2C(=O)CNC2=S)cc1 4205543 FCIQDMKZTPMMCK-UHFFFAOYSA-N 234.324 2.031 0 40 BEAB CCCNC(=O)COc1ccc(CC)cc1 4680598 ROUOMULPPZVFOR-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB Cc1ccc2nc(C)cc(NCCN)c2c1 4949803 KUXHUYLLOZWHQU-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB Cc1cc(=O)cc(C)n1-c1cccc(O)c1 7277800 TYARIDJPUOKTAB-UHFFFAOYSA-N 215.252 2.160 0 40 BEAB in-vitro COC(=O)c1ccccc1-c1ccc(CO)o1 8727689 NLBRYHFCXYVKQS-UHFFFAOYSA-N 232.235 2.226 0 40 BEAB Cc1nsc(NC(=O)Cc2ccccc2)n1 11917608 YJUUTNIGYJVKTF-UHFFFAOYSA-N 233.296 2.028 0 40 BEAB CCOC(=O)c1nnc(-c2ccccc2)cc1O 16683024 XGCHCVAGJBMBIC-UHFFFAOYSA-N 244.250 2.026 0 40 BEAB Nc1cccc(-c2nc(-c3ccccn3)no2)c1 19771942 MBPCFMONYGUCKR-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB CCc1ccc(-c2noc([C@@H](C)N)n2)cc1 19785450 CDRBKBSMQVZNPZ-MRVPVSSYSA-N 217.272 2.319 0 40 BEAB in-vitro C[C@H]1CCC[C@@H](C)N1C(=O)CC1CCNCC1 19802635 XDSSDQSDZIGONV-TXEJJXNPSA-N 238.375 2.166 0 40 BEAB CCOC(=O)[C@H]1CSC2(CCC(C)CC2)N1 20405480 OAAKTKDUHXPKJW-SQLBVSGCSA-N 243.372 2.161 0 40 BEAB CC1(C)CC(=O)c2cc(C(=O)O)oc2C1 26441301 FFXVUHGBBWBUGR-UHFFFAOYSA-N 208.213 2.133 0 40 BEAB CC(C)CCC(=O)Nc1ncccc1O 28024498 RPWVDTWYGNMXBZ-UHFFFAOYSA-N 208.261 2.162 0 40 BEAB CCOC(=O)[C@H](O)CCC1CCCCC1 33666333 QBVDXURIWZBADP-LLVKDONJSA-N 214.305 2.271 0 40 BEAB in-vitro CCONC(=O)[C@H](C)Sc1ccccc1 36392128 PQYIUCWRTVPXTD-VIFPVBQESA-N 225.313 2.235 0 40 BEAB CCCn1c(CNC)nc2ccccc21 36895944 RZSXLLHHXDXZSB-UHFFFAOYSA-N 203.289 2.166 0 40 BEAB Cc1cc(N)ccc1N1C[C@@H](C)O[C@H](C)C1 36950048 MCSWCGYAZDDPED-GHMZBOCLSA-N 220.316 2.191 0 40 BEAB Fc1ccc(F)c(CNCCN2CCCC2)c1 37233150 ANZZYSIMQKGRLR-UHFFFAOYSA-N 240.297 2.150 0 40 BEAB CCC[C@@](C)(N)C(=O)N[C@H](C)c1ccccc1 37621103 BGSUQVLWKNOKQB-BXUZGUMPSA-N 234.343 2.381 0 40 BEAB in-vitro COC(=O)c1ccc(C=O)c2ccccc12 38524284 RQODTKJVTXOAHI-UHFFFAOYSA-N 214.220 2.439 0 40 BEAB NC[C@H](c1ccc(F)cc1)N1CCCCC1 38827583 UVIGGJRPXIOCTF-CYBMUJFWSA-N 222.307 2.311 0 40 BEAB Cn1nc2c(c1NC(=O)C1CCCC1)CCC2 38884734 YSRBQOGXQFRXRI-UHFFFAOYSA-N 233.315 2.038 0 40 BEAB Cc1ccc(CCNC(=O)C(C)(C)C)o1 40090932 MBXIZXVFZOMTEW-UHFFFAOYSA-N 209.289 2.293 0 40 BEAB COc1ccc([C@@H](O)c2ccco2)c(OC)c1 40248126 KSUGKRREPCFIFY-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 41194563 IBDMIFOARPMDBY-MNOVXSKESA-N 225.332 2.203 0 40 BEAB Cc1noc([C@H](C)N(C)Cc2ccco2)n1 42651853 QZUIBYUYKSMMGO-QMMMGPOBSA-N 221.260 2.164 0 40 BEAB Cc1cc(C(=O)N(C)[C@H](C)CC(C)C)no1 45781429 IEGCLIBZLAPRIW-SECBINFHSA-N 224.304 2.490 0 40 BEAB Cc1cc(N)cc(Cl)c1N1CCOCC1 45957677 GWGPLEZTAKQXGE-UHFFFAOYSA-N 226.707 2.067 0 40 BEAB Nc1cncc(-c2ccc(F)cc2)c1N 47203969 GYGBWOOKYCGRSS-UHFFFAOYSA-N 203.220 2.052 0 40 BEAB Cc1ccc(-n2nnnc2NC2CCCC2)cc1 48607764 ZMENFIAYTQUUQG-UHFFFAOYSA-N 243.314 2.325 0 40 BEAB CNC(=O)c1[nH]c2ccc(F)cc2c1Cl 48693598 ULDXKYDBIHHNLI-UHFFFAOYSA-N 226.638 2.320 0 40 BEAB CSCC[C@@H](N)c1nc(-c2ccco2)no1 54444961 RZHBWVJCJXDDOZ-SSDOTTSWSA-N 239.300 2.083 0 40 BEAB CNC[C@H]1C[C@H]1c1cc(OC)cc(OC)c1 54588822 LQSNQLIZJGAFQO-MFKMUULPSA-N 221.300 2.027 0 40 BEAB CN(C(=O)OCc1ccccc1)[C@@H]1CCCNC1 54965483 KZAPWAGMBADXOQ-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB N[C@]1(C(=O)O)C[C@@H]1c1cc(Cl)cc(Cl)c1 62713261 MFCGDMLSOLLLNU-PSASIEDQSA-N 246.093 2.263 0 40 BEAB Cn1cc([C@H](N)c2ccc(F)c(Cl)c2)cn1 62792197 QWAPKTKNAAUWQX-LLVKDONJSA-N 239.681 2.261 0 40 BEAB in-vitro CC1CCN(c2cncc([C@@H]3CCCN3)n2)CC1 72386514 YHFWHEYQAPZVJG-LBPRGKRZSA-N 246.358 2.137 0 40 BEAB O=Cc1ccnc(Br)c1Cl 90411342 DVJKUAHAPVJFEL-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB in-vitro COC(=O)[C@@H](F)[C@@H](OC)Sc1ccccc1 95611769 MZZNVNOLHYGOBL-KOLCDFICSA-N 244.287 2.262 0 40 BEAB O=C(NC[C@H]1CCCS1)c1ccccc1 95965008 LAQUMPWQPAYSHT-LLVKDONJSA-N 221.325 2.312 0 40 BEAB CCC(CC)CN1CC[C@@]12CCCNC2 96050986 SLNLOWMOGGDALQ-CYBMUJFWSA-N 210.365 2.251 0 40 BEAB c1cc(CN2CCC3(CC2)COC3)cs1 96051212 ZBWBPGWJIQYTET-UHFFFAOYSA-N 223.341 2.361 0 40 BEAB OCCOc1ccc(OCC2CCC2)cc1 96483919 BIRRBVRSGCDDJR-UHFFFAOYSA-N 222.284 2.237 0 40 BEAB CCc1ccc(-c2ccnn2CCN)cc1 96527679 XYJXXCHCNCTVER-UHFFFAOYSA-N 215.300 2.071 0 40 BEAB NCCC12C[C@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 100097840 HTMFVRGUJSJMSP-ITSCGTHASA-N 223.316 2.006 0 40 BEAB C[Si](C)(C)c1c(F)cc(F)c(C(=O)O)c1F 169807290 AYCRHOMHAQRBFZ-UHFFFAOYSA-N 248.276 2.347 0 40 BEAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CCN 215266181 KIHBGMMPOOXDGZ-MNOVXSKESA-N 242.363 2.228 0 40 BEAB O=C(O)[C@H]1C[C@@H]1Cc1ccc(F)cc1F 217824749 ZRXQSJZQVYCUDU-CBAPKCEASA-N 212.195 2.228 0 40 BEAB C[C@H](N[C@H]1CCC[C@@H]1N)c1ccccc1 218886691 VJNYIIHZUKMQSU-DRZSPHRISA-N 204.317 2.217 0 40 BEAB Cc1cc(C)c(N)c(N[C@@H](C(=O)O)C(C)C)c1 223776573 NRWWOJYNCWOCGV-GFCCVEGCSA-N 236.315 2.407 0 40 BEAB CC(=O)Nc1ccc2oc(C)cc(=O)c2c1 238120908 QVOQASSKKLIAET-UHFFFAOYSA-N 217.224 2.060 0 40 BEAB Clc1ccc2c(c1)[C@]1(CCN1)CCO2 306145665 MRYHUVDAQBTWAL-NSHDSACASA-N 209.676 2.311 0 40 BEAB C1=CCC(COc2nccn3nccc23)C1 585652414 MTMDPVKHGKBUHL-UHFFFAOYSA-N 215.256 2.074 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1C2CCC(CC2)[C@@H]1N 953097342 CAJBJWXCHNBSKG-TVUZUIDESA-N 240.347 2.027 0 40 BEAB CCCN(C)CCOc1ccccc1OC 52452602 YYYVHHCFDVABPR-UHFFFAOYSA-N 223.316 2.416 0 40 BEAB CCc1cccc2c(CC(=O)O)c[nH]c12 11920384 KVQHDBXIAODINU-UHFFFAOYSA-N 203.241 2.357 0 40 BEAB in-vitro Cc1cc(Br)ccc1C(=N)N 1437946 JFGVXLZCQYPKSF-UHFFFAOYSA-N 213.078 2.042 0 40 BEAB NC(=O)C1=Cc2cccn2-c2ccccc2S1 1585393 ZOZOUSKRHGOQHO-UHFFFAOYSA-N 242.303 2.409 0 40 BEAB c1ccc(CNn2nnc3ccccc32)cc1 1617005 WTBFBDRLXNOOGE-UHFFFAOYSA-N 224.267 2.175 0 40 BEAB COc1cccc(C2=N[C@@H](C(C)C)CO2)c1 1629085 SHTHIWBKEFNLPE-GFCCVEGCSA-N 219.284 2.497 0 40 BEAB CC(C)[C@@H](NC(=O)[C@H]1CCCO1)c1ccccn1 78826830 QYFRITYSPBBUFK-CHWSQXEVSA-N 248.326 2.074 0 40 BEAB COC(=O)c1ccccc1NC(=O)CC(C)C 483834 MQTXQBOLCSEIKC-UHFFFAOYSA-N 235.283 2.458 0 40 BEAB O=C(Nc1ccc(O)cc1)c1ccc(O)cc1 552816 WCTPJCYSFNTVKJ-UHFFFAOYSA-N 229.235 2.350 0 40 BEAB CC(C)c1cccc(O[C@@H](C)C(N)=O)c1 33433075 DCMZTOQOSDMQKV-VIFPVBQESA-N 207.273 2.063 0 40 BEAB CC(C)(C)N1CNC(=S)N(c2ccccc2)C1 22634142 GYGXMZPXFPPMNH-UHFFFAOYSA-N 249.383 2.397 0 40 BEAB Cc1cc(C)n(Cc2csc(C(=O)O)c2)n1 12357631 TWIVYJZTHNAPIY-UHFFFAOYSA-N 236.296 2.308 0 40 BEAB COCCN(C)Cc1cccc2cccnc12 54356013 YXPWNWBRLKBMKU-UHFFFAOYSA-N 230.311 2.313 0 40 BEAB CCCc1noc(CN(C)C2CCCC2)n1 42632509 RJWLYBKCLRFQGV-UHFFFAOYSA-N 223.320 2.397 0 40 BEAB Cc1ccc(Cn2ccnc2C=O)cc1 51003557 WPVIOLWTWUKAHA-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB CCN1CCC[C@@H]1CNCCc1ccccc1 35805093 LYPICULWQSVURF-OAHLLOKOSA-N 232.371 2.303 0 40 BEAB CCc1nc2ccccc2n1C[C@@H]1CCCN1 62807712 CEDKIDADDSYGOD-NSHDSACASA-N 229.327 2.351 0 40 BEAB COc1ccc(CNC2CCOCC2)cc1F 36319649 MTBPKUWTNNLFEJ-UHFFFAOYSA-N 239.290 2.103 0 40 BEAB CC(C)(C)ON1C(=O)c2ccccc2C1=O 20467999 GSTJSQNQTLDHSU-UHFFFAOYSA-N 219.240 2.013 0 40 BEAB O=C(O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1 11628837 MAJNVSRIBVPQJP-LLVKDONJSA-N 248.278 2.426 0 40 BEAB C[C@@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 59868432 LGJNBRYQEIZFMK-YPMHNXCESA-N 249.310 2.168 0 40 BEAB NCCN(Cc1ccccc1)c1ccccn1 38033121 ALHRAUKTLRQUEV-UHFFFAOYSA-N 227.311 2.047 0 40 BEAB Cc1cc(NC(=O)NCc2ccccc2)n(C)n1 4110043 DOEHPFSZACLALR-UHFFFAOYSA-N 244.298 2.050 0 40 BEAB Cc1cc2nc(C)n(CC(=O)O)c2cc1C 4384480 FROBVNDNVPFNRM-UHFFFAOYSA-N 218.256 2.046 0 40 BEAB CCOc1cccc(O[C@@H]2CCCNC2)c1 14631830 PKJKVQXZRWUYRM-CYBMUJFWSA-N 221.300 2.216 0 40 BEAB in-vitro O=C(NC1CCCCC1)c1ccccn1 14655126 WIRGFWGEJNBWAN-UHFFFAOYSA-N 204.273 2.144 0 40 BEAB Cc1nnc(-c2ccc(Cl)cc2)nc1O 15986898 BHFWVAOPSUWYHS-UHFFFAOYSA-N 221.647 2.206 0 40 BEAB CCCCS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 16971664 PXEQYQVGWPQRRD-PHIMTYICSA-N 233.377 2.094 0 40 BEAB C[C@@H]1CCCCN1C(=O)NCC[C@H]1CCCO1 71925626 JDBYKZAQKFGNDU-VXGBXAGGSA-N 240.347 2.140 0 40 BEAB S=C(NC1CC1)N[C@@H]1C[C@@H]1c1ccccc1 84525474 CWOPSMMWFMVWTI-VXGBXAGGSA-N 232.352 2.169 0 40 BEAB CCCCC[C@H](NC(=O)C1CC=CC1)C(=O)O 97036364 ONZXZIQHCQXEMM-NSHDSACASA-N 239.315 2.102 0 40 BEAB CCOC(=O)c1noc(-c2ccccc2F)n1 98214165 LPQOKOGQUZVKIZ-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB COc1ccc(C(=O)C2CC2)c(OC)c1 36157890 XDZUENUODJYWNF-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB OCc1c[nH]c(=S)n1Cc1cccc(F)c1 35537010 GKOGYMVOLBRQTJ-UHFFFAOYSA-N 238.287 2.225 0 40 BEAB CCn1cncc1COC(=O)[C@@H]1CC[C@@H](C)C1 1518049737 XFBHOOKGPKPGSZ-GHMZBOCLSA-N 236.315 2.382 0 40 BEAB CCN(C)c1ccc([C@H]2CCCCN2)cn1 72212729 YXFXDYFZUCSPKL-GFCCVEGCSA-N 219.332 2.352 0 40 BEAB COC(=O)[C@H](C)c1cn(C)c2ccccc12 38271999 NVJDFTIOQRVZSQ-SECBINFHSA-N 217.268 2.455 0 40 BEAB CC(C)Oc1ncccc1[C@H]1CCCN1C=O 72211947 ZRRJAYJZGRUHCX-GFCCVEGCSA-N 234.299 2.162 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1Cc1ccc(F)c(F)c1 217824343 CJMOSIYQNXZRLV-JGVFFNPUSA-N 212.195 2.228 0 40 BEAB Cc1nc2ccc(CCC(=O)O)cc2nc1C 71491450 SGKQWZLUUBRTJF-UHFFFAOYSA-N 230.267 2.264 0 40 BEAB O=C(O)COc1c(Cl)ccc2cccnc12 225389554 GPBNGENJIHDBCB-UHFFFAOYSA-N 237.642 2.352 0 40 BEAB NCc1cc(F)cc(OC(F)(F)F)c1 84845475 ULLWGZMNUJLDKA-UHFFFAOYSA-N 209.142 2.183 0 40 BEAB CCOC(=O)c1nn(-c2cccc(C)c2)nc1C 45920310 HPPVICMJTPTRSZ-UHFFFAOYSA-N 245.282 2.061 0 40 BEAB CCOC(=O)[C@H]1N=NC[C@H]1c1ccc(OC)cc1 85389847 TWEQXAIFXJNBKL-RYUDHWBXSA-N 248.282 2.176 0 40 BEAB CCC1(C(=O)NC[C@H]2CCCNC2)CCCC1 94899351 MRRUUPZCIYEAMK-LBPRGKRZSA-N 238.375 2.073 0 40 BEAB c1cncc(-c2ccnn2C2CCOCC2)c1 95097695 VFRPSHGHMUGNMB-UHFFFAOYSA-N 229.283 2.297 0 40 BEAB COc1cc(C(C)=O)cnc1Br 238334524 MUKXQNXTSBDSBW-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB COc1c(Br)cnc(C)c1C 95775670 TVYHGHLQEGTCMC-UHFFFAOYSA-N 216.078 2.470 0 40 BEAB CCCc1nc(CN2CCO[C@@H](C)C2)cs1 42652047 LKJICJGCNWKYAZ-JTQLQIEISA-N 240.372 2.316 0 40 BEAB CCC[C@H](C)NC(=O)Nc1nccs1 40490185 FZUYNDXQOIUDGE-ZETCQYMHSA-N 213.306 2.453 0 40 BEAB COc1ccc(C=O)cc1OC[C@H]1CCCO1 14000209 SUFFJIJSPVWTCP-LLVKDONJSA-N 236.267 2.066 0 40 BEAB C[C@@H](O)[C@H]1CCCN(CCc2ccccc2)C1 89927851 NSYYHZYMLTXWKM-HIFRSBDPSA-N 233.355 2.322 0 40 BEAB CCCC[C@H](CC)C(=O)OCC(C)=O 919223344 UFCXXOIYFKIAKY-JTQLQIEISA-N 200.278 2.335 0 40 BEAB CCNC(=O)c1cc2cccc(C)c2o1 148932686 MUSISXBKILJREW-UHFFFAOYSA-N 203.241 2.491 0 40 BEAB CC1=Nc2c(ccc3nsnc23)NC(=O)C1 5232449 SMJHXUSSWOELHZ-UHFFFAOYSA-N 232.268 2.126 0 40 BEAB C[C@@H]1C[C@@H](OC(=O)[C@@H](C)O)CC(C)(C)C1 5763862 SRJOJNGMYPRTOL-OPRDCNLKSA-N 214.305 2.125 0 40 BEAB in-man Cc1ccc([C@@H](N)CN2CCCCC2)cc1 19821194 KZAQKTBENFPOFP-AWEZNQCLSA-N 218.344 2.481 0 40 BEAB Cc1nc2sc3c(c2c(=O)o1)CCCC3 40339 MSLWJDFZJOUINW-UHFFFAOYSA-N 221.281 2.437 0 40 BEAB in-vitro COc1ccc(-c2c(C)sc(N)[n+]2C)cc1 479833 XVITYLXQQPTTCR-UHFFFAOYSA-O 235.332 2.139 0 40 BEAB O=C(Nc1nnc(C2CC2)s1)C1CCC1 3550734 OWWGAGNWZVRJLV-UHFFFAOYSA-N 223.301 2.154 0 40 BEAB Cc1ccc(CNC2=NCCCCC2)n1C 4211268 KBIRNGCAVCXVDP-UHFFFAOYSA-N 219.332 2.396 0 40 BEAB CCOCCCN[C@@H](C)c1cccnc1 4537808 AMQWDXQMLRQMPF-NSHDSACASA-N 208.305 2.159 0 40 BEAB CC[C@H](C(=O)NC1=NCCS1)c1ccccc1 5476395 DYBQJKFWWGUNIF-NSHDSACASA-N 248.351 2.399 0 40 BEAB CCN(CC)C(=O)N(O)C1CCCCC1 5497200 FASQVZSQPPCJBR-UHFFFAOYSA-N 214.309 2.472 0 40 BEAB Cc1ccc(OCC(C)(C)C(=O)O)cc1 8730683 XMALAIOGULETRG-UHFFFAOYSA-N 208.257 2.485 0 40 BEAB CC(C)C(=O)Nc1ccc(CCC(=O)O)cc1 8907302 XEELXERBOYUNPA-UHFFFAOYSA-N 235.283 2.298 0 40 BEAB CCN(CC)C(=O)c1cccc(C(C)=O)c1 11919370 XKAUTVHTYKIQFU-UHFFFAOYSA-N 219.284 2.371 0 40 BEAB Cn1ccc(Nc2ncnc3sccc23)n1 12803308 VKNZCWBWJAROOY-UHFFFAOYSA-N 231.284 2.168 0 40 BEAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1F 12923225 PEEHYZLYDGQBOY-LLVKDONJSA-N 237.274 2.043 0 40 BEAB c1cc2c(cc1OC[C@H]1CCNC1)CCC2 14632430 BNKFSMSYTHVWCP-NSHDSACASA-N 217.312 2.164 0 40 BEAB Cc1ccccc1[C@H](C)NC(=O)c1cnccn1 17963494 DBJKTIJXTOSJDU-NSHDSACASA-N 241.294 2.276 0 40 BEAB C1CCC(NC2CCC3(CC2)OCCO3)C1 19883621 JGWZEBKLMNTXMC-UHFFFAOYSA-N 225.332 2.204 0 40 BEAB CCc1noc(COc2ccccc2C=O)n1 20254039 VGIMOXKEQXXLEQ-UHFFFAOYSA-N 232.239 2.024 0 40 BEAB CCCN[C@H](C)C(=O)Nc1ccccc1 20300311 DENITXZENVSYCJ-SNVBAGLBSA-N 206.289 2.013 0 40 BEAB in-vitro Cn1ccc(NCc2ccc(F)cc2)n1 20350235 ZFMYCAIXPUIOJI-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB O=C(c1cc(F)ccc1F)N1CCCC1 28210762 QCXNJPNZPWKMJW-UHFFFAOYSA-N 211.211 2.201 0 40 BEAB c1ccc2c(c1)OCC[C@H]2NC[C@H]1CCOC1 37074392 MCVLEBKYOPWARN-DGCLKSJQSA-N 233.311 2.136 0 40 BEAB CCc1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 40489572 BVDLLUDDKZKNFM-UWVGGRQHSA-N 223.320 2.110 0 40 BEAB Cc1nc(-c2cccc(F)c2)ncc1C(=O)O 43557938 LZMNSJCIRQSESL-UHFFFAOYSA-N 232.214 2.289 0 40 BEAB in-vitro Cc1c(N)cnn1-c1cccc(Cl)c1 48218402 GVOBTDZLOBTPRX-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB in-vitro CCc1cc(NC(=O)CCc2ccco2)[nH]n1 49139201 FQGWXWPIYJZKCV-UHFFFAOYSA-N 233.271 2.136 0 40 BEAB c1c(CN2CCNCC2)sc2c1CCCC2 52860932 QPLYIIXLSILJDD-UHFFFAOYSA-N 236.384 2.032 0 40 BEAB in-vitro COc1ccc(C)cc1CN1CCO[C@H](C)C1 54172227 WQTJGKLUXAVLIJ-GFCCVEGCSA-N 235.327 2.224 0 40 BEAB CCSc1nnc(N2CCCC2)n1C1CC1 58530696 ZQBFJDAKVKXABS-UHFFFAOYSA-N 238.360 2.325 0 40 BEAB CC(C)c1cc(=O)[nH]c(C2(N)CCCCC2)n1 68577004 LORXODRSKZVBNL-UHFFFAOYSA-N 235.331 2.011 0 40 BEAB c1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)cc1 72381197 GAOZLGRWWNZPDZ-CYBMUJFWSA-N 227.311 2.399 0 40 BEAB COc1ccc(CC(=O)NC(C)C)cc1C 74959603 SOMPWDGOQQTUCK-UHFFFAOYSA-N 221.300 2.071 0 40 BEAB CN1CCC(c2ccc(N)cc2F)CC1 75905978 MKBLDBXGYGCCEH-UHFFFAOYSA-N 208.280 2.217 0 40 BEAB O=C(c1occc1Br)N1CCCC1 81552067 UQGFWTNELGJBCK-UHFFFAOYSA-N 244.088 2.278 0 40 BEAB CCNC(=O)c1ccc2cccc(F)c2n1 82263192 JQRAMEPNMDUNNW-UHFFFAOYSA-N 218.231 2.124 0 40 BEAB Cc1cc(C)c(C(=O)N[C@@H]2CCOC2)c(C)c1 89236264 XBOYRQVPGHECEU-GFCCVEGCSA-N 233.311 2.131 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CCC[C@H]2C1 89536730 PLPWAAHGWYBNPK-QWRGUYRKSA-N 218.300 2.195 0 40 BEAB COC(=O)CC(C(F)(F)F)C(F)(F)F 90513900 OJEPGAFAXRZUFN-UHFFFAOYSA-N 224.100 2.290 0 40 BEAB C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](C)O 91261341 WTMYRZFEAKUNDJ-VHSXEESVSA-N 227.735 2.241 0 40 BEAB NC1(c2cnccc2C(F)(F)F)CC1 95094335 HTYRTWXOXQBTNX-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CC[C@H](C)N(C)c1cc(C)nc(COC)n1 95411583 ITVPVGHXORIGKM-JTQLQIEISA-N 223.320 2.166 0 40 BEAB CC(C)CC(=O)NC[C@H](O)c1ccccc1F 96445839 QWKZYQVMIVFMRD-LBPRGKRZSA-N 239.290 2.021 0 40 BEAB Fc1ccc(-c2n[nH]cc2Br)nc1 98095837 BDHAZRCYLHSAIY-UHFFFAOYSA-N 242.051 2.373 0 40 BEAB OC1(c2nc(-c3ccccn3)no2)CCCCC1 125434902 NHKVYMBVBAJLDO-UHFFFAOYSA-N 245.282 2.283 0 40 BEAB CCOc1ccc(C[C@H](OCC)C(=O)O)cc1 141226694 VITPHRYWSCHVHB-LBPRGKRZSA-N 238.283 2.118 0 40 BEAB Cn1cccc1CN1CCCC[C@H]1c1ccn[nH]1 205688617 LWWFSFGZOVCTJG-AWEZNQCLSA-N 244.342 2.475 0 40 BEAB CC1=Nc2ccccc2[C@H](OCC(=O)O)C1 227148566 GPENCZBUOVSSTD-LLVKDONJSA-N 219.240 2.325 0 40 BEAB Cc1ccc(OCC2CCOCC2)nc1 336320882 YBCSURNRDRCWKN-UHFFFAOYSA-N 207.273 2.195 0 40 BEAB Cn1cc(Cl)c(COCC(F)(F)F)n1 408715926 GVQOMOCIZNUBGP-UHFFFAOYSA-N 228.601 2.152 0 40 BEAB Nc1ccc(-c2nc[nH]c2Br)cc1 56298 ALDUJKPZUHQTNT-UHFFFAOYSA-N 238.088 2.421 0 40 BEAB Nc1ccc(O)c(-c2nc3ncccc3o2)c1 529855 UKOOZFNJFQWFMK-UHFFFAOYSA-N 227.223 2.178 0 40 BEAB Cc1nc(N2CCCC2)nc2c1CCCC2 1398558 ZOJGJQZFBDPROG-UHFFFAOYSA-N 217.316 2.264 0 40 BEAB COc1ccc(Br)c2c1C(=O)C2 3847824 VKCXWKIPMBVCQM-UHFFFAOYSA-N 227.057 2.197 0 40 BEAB biogenic NCCSc1ncc(-c2ccccc2)[nH]1 4315968 UTBPFWLURBLDPW-UHFFFAOYSA-N 219.313 2.128 0 40 BEAB Cc1cc(C)c2nc3n(c2c1)C(=O)CS3 5401718 GCPKYPPKGJSSPA-UHFFFAOYSA-N 218.281 2.399 0 40 BEAB Cc1cc(C)cc(NC(=O)[C@H]2CCCO2)c1 6255514 MKUPZMXIFCDHMK-GFCCVEGCSA-N 219.284 2.421 0 40 BEAB Cc1nn(-c2ccccn2)c2ncccc12 6626137 RWVXGMPDNKCLAY-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB CC(C)c1nnc(NC(=O)c2ccncc2)s1 8048321 VVAQMUQEJWUERQ-UHFFFAOYSA-N 248.311 2.309 0 40 BEAB COc1cccc(C=O)c1OCc1ccccn1 8702277 JCSSFZVCUCKUPJ-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB CNCc1nc(-c2ccccc2)oc1C 12370182 WFIYOYRKPWLPFI-UHFFFAOYSA-N 202.257 2.369 0 40 BEAB CCOc1cccc(OC[C@H]2CCCNC2)c1 14631343 PFOMCLWUBJEJLN-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB NN[C@H](c1ccccc1)c1ccc(F)cc1 19267757 KGJKXTQOLRZGFB-CYBMUJFWSA-N 216.259 2.378 0 40 BEAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)NC2 19562519 UAALEBLRNCVMDA-HNNXBMFYSA-N 247.338 2.136 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(F)cc1N 20157315 NFSQKSWOLCCBKM-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB Clc1ccc(NCc2ccco2)nn1 21818784 NTZYTEKCZDNYLZ-UHFFFAOYSA-N 209.636 2.335 0 40 BEAB CCCC(=O)Nc1ccccc1-n1cncn1 24999396 PBDPYGOCJNQMFU-UHFFFAOYSA-N 230.271 2.006 0 40 BEAB COC(=O)c1ccc(NC(=O)C(C)C)c(C)c1 29698601 FHWYLOGNERSAQS-UHFFFAOYSA-N 235.283 2.376 0 40 BEAB CCO[C@@H](CN1CCOCC1)c1ccccc1 31723600 YWRASIOTKRNTBJ-AWEZNQCLSA-N 235.327 2.096 0 40 BEAB CCCCOc1cc(C(=O)O)ccc1N 34049950 HXPQKILUHVHNEE-UHFFFAOYSA-N 209.245 2.146 0 40 BEAB Cc1noc(C)c1CNC1CCN(C2CC2)CC1 35054397 WGLUCHYHEQTOHF-UHFFFAOYSA-N 249.358 2.008 0 40 BEAB NC(=O)c1ccccc1Oc1cccc(N)c1 38056472 XLSPVAFOIRLXNJ-UHFFFAOYSA-N 228.251 2.160 0 40 BEAB in-vitro CCOc1ccc(OCC(=O)N2CCCC2)cc1 41094646 QNHIXQZRQJPSES-UHFFFAOYSA-N 249.310 2.087 0 40 BEAB CCc1ccccc1NC(=O)N1CCC[C@H](O)C1 43403185 GECKMMYCQUTJHU-LBPRGKRZSA-N 248.326 2.238 0 40 BEAB CCONC(=O)[C@@H](CC)c1ccccc1 44896883 UBHPYGXIWXDHOK-NSHDSACASA-N 207.273 2.248 0 40 BEAB CN[C@@H]1CCCN(Cc2ccc(C)cc2)C1 53201461 HQLQBBYPEOLREE-CQSZACIVSA-N 218.344 2.179 0 40 BEAB CN(C)c1cccc(C(=O)OC[C@H]2CCCO2)c1 57974114 JUDPIDNMNLDQSC-CYBMUJFWSA-N 249.310 2.088 0 40 BEAB CC(C)Oc1cccc(-c2nnc(N)o2)c1 61666118 NKMMBLLCTLJDSG-UHFFFAOYSA-N 219.244 2.106 0 40 BEAB CO[C@H](C)C(=O)Nc1cccc(-n2cccc2)c1 69456202 PZHQAJBZYMSLEE-LLVKDONJSA-N 244.294 2.451 0 40 BEAB CONCc1cc(Br)ccc1F 70270679 GBFJBMFFEUALGH-UHFFFAOYSA-N 234.068 2.239 0 40 BEAB O=C(O)C[C@H](c1ccccc1)[C@H]1CCCCN1 72208309 AVJWUBUGVYRDJL-CHWSQXEVSA-N 233.311 2.387 0 40 BEAB CCOc1ccc(C2=NCCCC2)cn1 72211790 YYEPUEXJFNCPQQ-UHFFFAOYSA-N 204.273 2.453 0 40 BEAB Cc1cc([C@@H](N)c2ccccc2)cnc1N 72222051 AJOPGFUJTVEEOR-LBPRGKRZSA-N 213.284 2.020 0 40 BEAB c1ccc2ncc(C[C@H]3CCNC3)cc2c1 72387231 XEJXPRXYDPNTNM-LLVKDONJSA-N 212.296 2.387 0 40 BEAB Cc1cccc([C@@H]2CCCCN2CC(N)=O)c1C 75999829 NMONUGSABOFMSS-AWEZNQCLSA-N 246.354 2.316 0 40 BEAB Cn1c(S)nnc1-c1ccc(Cl)s1 77362214 KCHRQSPYNZNXCO-UHFFFAOYSA-N 231.733 2.486 0 40 BEAB Nc1nc2c(cc1Br)CCCC2 83050524 YWGZKGCFIKOBIP-UHFFFAOYSA-N 227.105 2.305 0 40 BEAB CCc1noc(CS[C@@H]2CCO[C@@H]2C)n1 95974157 QVMDBWSPKSHBER-HTQZYQBOSA-N 228.317 2.043 0 40 BEAB COC(=O)CN[C@H](C)c1cccc(C)c1C 95985238 XHRATSQTGRLIMT-LLVKDONJSA-N 221.300 2.127 0 40 BEAB CC(C)c1nnc(NCc2ccco2)o1 96494340 OLVPRFFGPNULIT-UHFFFAOYSA-N 207.233 2.398 0 40 BEAB C1=C2CCCN[C@H]2[C@H]2C[C@H]1[C@H]1CCCCN1C2 100473142 SKOLRLSBMUGVOY-BYNSBNAKSA-N 232.371 2.169 0 40 BEAB biogenic,in-vitro C1CC[C@H](OCCSC[C@@H]2CCCO2)OC1 193446201 USOWFRVLATZSBK-RYUDHWBXSA-N 246.372 2.442 0 40 BEAB Cc1nccc(N2CCCC[C@@H]2c2cn[nH]c2)n1 195571344 OYONPRZLJFRHHT-GFCCVEGCSA-N 243.314 2.240 0 40 BEAB CC(C)(C)OC(=O)N1CCCCC12CC(N)C2 199440499 HZLHQMOMDMUQQG-UHFFFAOYSA-N 240.347 2.267 0 40 BEAB CCOc1c(-c2ccccc2)c(C(=O)O)nn1C 218296781 JGCQGGHKPHEMEK-UHFFFAOYSA-N 246.266 2.184 0 40 BEAB O=C(O)c1ccc2[nH]c(=O)cc(C(F)F)c2c1 225758364 KLKACSCPGPIXLB-UHFFFAOYSA-N 239.177 2.164 0 40 BEAB CC(=O)c1ccc(N(C)C(=O)C(F)(F)F)cc1 226272642 RLRRTZSHADORRM-UHFFFAOYSA-N 245.200 2.414 0 40 BEAB Nc1ccc(N)c(C(=O)c2ccccc2)c1 389188 WJWKTVHKQDEXEQ-UHFFFAOYSA-N 212.252 2.082 0 40 BEAB O=C1NC(=S)[C@H](Nc2ccccc2)S1 1244600 WTBZRVBCEUIDLI-MRVPVSSYSA-N 224.310 2.208 0 40 BEAB CCc1cccc(NC(=O)[C@H]2CCCO2)c1 1471474 XCJUUIZTYSHMKB-GFCCVEGCSA-N 219.284 2.367 0 40 BEAB CC(C)N1C(=O)c2ccc(Cl)cc2C1=O 1679886 QNVZVQDNDWFQLR-UHFFFAOYSA-N 223.659 2.344 0 40 BEAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)O 1850309 UJNOLBSYLSYIBM-QCNOEVLYSA-N 228.332 2.371 0 40 BEAB FC(F)=C(F)CCSC1=NCCN1 4402869 ONKRFQGGNMRHKD-UHFFFAOYSA-N 210.224 2.147 0 40 BEAB O=c1[nH]nnc2sc3c(c12)CCCCCC3 4626085 YUVRFHLGJYPEST-UHFFFAOYSA-N 235.312 2.039 0 40 BEAB C[C@@H]1CCCC2=C1[C@@H](O)c1cccc(N)c1[C@@H]2O 5392878 MCDCWSCFBGBCNF-UKXDHYTESA-N 245.322 2.466 0 40 BEAB CC1=NN=C2SC(c3ccccc3F)=N[C@H]12 15423942 FPGUAQODDDSVRZ-SECBINFHSA-N 233.271 2.476 0 40 BEAB NC(=O)[C@H](NCc1ccccc1)c1ccccc1 16956101 PYVTTZQYAVUMNV-CQSZACIVSA-N 240.306 2.003 0 40 BEAB Nc1nnc(-c2cccc3ccccc23)o1 19281077 VYISJPAVHRPXIH-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB in-vitro Nc1ccc2nnc(-c3cccc(F)c3)n2c1 19753837 OHHBFLDFLWWOQL-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB CCCNC(=O)c1ccc(O)c(Cl)c1 19836936 XEVBULAAMQUYPW-UHFFFAOYSA-N 213.664 2.185 0 40 BEAB CC(=O)c1ccccc1NC(=O)CCCC(=O)O 26807955 XUPHUURWBQCCJY-UHFFFAOYSA-N 249.266 2.083 0 40 BEAB CCCn1ccc(C(=O)Nc2cc(C)ccn2)n1 27971463 UTDMUUOSJNCXQM-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB COc1cc(F)ccc1-c1ccnc(NC#N)n1 32093666 CJQWHWROODWBJE-UHFFFAOYSA-N 244.229 2.184 0 40 BEAB Cc1c(Br)ccc(O)c1C=O 34721837 GYSFTNVHSLJTCO-UHFFFAOYSA-N 215.046 2.276 0 40 BEAB COc1ccc(CC(=O)O)cc1-c1cccnc1 34929226 UMLOLUDHZXASSS-UHFFFAOYSA-N 243.262 2.384 0 40 BEAB CCCc1n[nH]c(SCc2cc(C)on2)n1 36700464 ANLBKYSVPNOMDL-UHFFFAOYSA-N 238.316 2.346 0 40 BEAB Nc1[nH]ncc1Sc1ccc(F)cc1 40999481 SPNFPXIHZPQFJP-UHFFFAOYSA-N 209.249 2.282 0 40 BEAB in-vitro Clc1cc(OCC[C@H]2CCCCN2)ncn1 42774103 RCAVWJYZDOKXGK-SECBINFHSA-N 241.722 2.041 0 40 BEAB Cc1ccc(F)c(C(=O)Nc2nncs2)c1 53002997 JALUMLXQFZNTAJ-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB CNC[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1 54588494 VCUMKLYDJBVZEY-WDEREUQCSA-N 221.300 2.027 0 40 BEAB CC(=O)N1CCC(Oc2ccccc2F)CC1 59659374 JLJCNUBLWWKIRV-UHFFFAOYSA-N 237.274 2.215 0 40 BEAB COc1cccc(-c2noc(S)n2)c1 61881135 VWAFCJLWERTLAK-UHFFFAOYSA-N 208.242 2.034 0 40 BEAB in-vitro CCc1ccc2ncc3c(=O)o[nH]c3c2c1 62719745 QQFSXQLBUZFAAL-UHFFFAOYSA-N 214.224 2.232 0 40 BEAB CN1CC[C@H](CN)[C@@H]1c1ccc(Cl)c(F)c1 69796121 ROGPDGDVTBVNPY-SKDRFNHKSA-N 242.725 2.431 0 40 BEAB in-vitro CC(C)(O)CCc1cccc(C(=O)O)c1 72207364 CLSKRZKJSBWRSO-UHFFFAOYSA-N 208.257 2.088 0 40 BEAB CCN(C)c1ccc([C@@H]2CCCN2C)cn1 72212701 DDVYMRYEYLAUOR-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB COc1ncc([C@H]2CCCN2C(C)=O)cc1C 72217715 RBKFMGPEXBEPEZ-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB O=C(Nc1ccc(F)cc1)c1cncc(O)c1 82324326 GRXJCNBQZCAFDD-UHFFFAOYSA-N 232.214 2.179 0 40 BEAB Cc1nc(Cl)cc(N[C@](C)(CO)C2CC2)n1 84271817 VJBNWQICLQXBIB-LLVKDONJSA-N 241.722 2.011 0 40 BEAB Cc1cc(COc2cccnc2C)no1 95428627 VOPXIZJBAMQEBW-UHFFFAOYSA-N 204.229 2.265 0 40 BEAB CN(C)C(=O)c1cc2cccc(F)c2o1 96426181 ASMPIWMZHMGTON-UHFFFAOYSA-N 207.204 2.274 0 40 BEAB Cc1cccc2c1N(Cc1cc[nH]n1)CC2 97100452 AMQXJTBTUKZUMZ-UHFFFAOYSA-N 213.284 2.281 0 40 BEAB CCN(Cc1noc(C)n1)c1cccc(O)c1 191552049 LZFSUZQICGJSTO-UHFFFAOYSA-N 233.271 2.110 0 40 BEAB C[C@@H]1C[C@@]1(CN)[C@@H](O)c1ccc(Cl)cc1 216576046 FMRUFLXRUIWCBX-ZHAHWJHGSA-N 225.719 2.358 0 40 BEAB Cc1c(Cl)cc(Cl)c(OCC(N)=O)c1C 216907424 HGIIBWDOAOLETJ-UHFFFAOYSA-N 248.109 2.474 0 40 BEAB CC(C)OC(=O)c1snnc1-c1cccnc1 223849334 BJHOIYJGJZBBHZ-UHFFFAOYSA-N 249.295 2.165 0 40 BEAB CC[C@@H](C)NC(=S)Nc1cc(C)ccn1 225201671 TXBXYOBOSAYERB-SECBINFHSA-N 223.345 2.475 0 40 BEAB Cc1cc(N2CCC[C@H]2c2cn[nH]c2)nc(C)n1 521398500 KLBUIPQQBYCPFO-LBPRGKRZSA-N 243.314 2.158 0 40 BEAB COC(=O)C[C@@H]1COc2cc(Cl)ccc21 585656394 UJRHCGZDUKQDRF-SSDOTTSWSA-N 226.659 2.379 0 40 BEAB COC(=O)c1cc(OC(C)C)ncc1Cl 675081811 NAMWMXIWBZGRDH-UHFFFAOYSA-N 229.663 2.309 0 40 BEAB CC(C)(C)c1cn(C[C@H]2CCOC2)cn1 865375976 SWCYFLNTDQRCMM-SNVBAGLBSA-N 208.305 2.217 0 40 BEAB CNC(NC(=O)c1ccccc1)=C(Cl)Cl 83888 MFEJJAUUVUXDRS-UHFFFAOYSA-N 245.109 2.240 0 40 BEAB O=Cc1nc(Br)c(-c2ccoc2)[nH]1 1857794642 FPASMEGSTJPDRM-UHFFFAOYSA-N 241.044 2.245 0 40 BEAB Cc1ccc2nc(C)cc(C(=O)OCCO)c2c1 32823696 ZBECPRPEXOHLSU-UHFFFAOYSA-N 245.278 2.001 0 40 BEAB CC1(C)[C@H]2CCC(=O)[C@H]3CC[C@](C)(O)[C@H]3[C@H]21 4104725 WGGGLYPWFRDVEK-SPWWOFFBSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro Cn1c(CNc2ccc(F)cc2)n[nH]c1=S 6557173 ZUAYRGZKSZWRLK-UHFFFAOYSA-N 238.291 2.229 0 40 BEAB CC(C)(CO)NCc1cccc(Cl)c1 6883168 VEMKIWHSULOIPG-UHFFFAOYSA-N 213.708 2.201 0 40 BEAB CNCc1cccc(Oc2cncc(C)n2)c1 12370726 RCWJJFNDMQYPQK-UHFFFAOYSA-N 229.283 2.297 0 40 BEAB in-vitro CN1c2ccccc2C(C)(C)[C@@]12CCCC(=O)N2 517714 FNUNAZPEIZDMSI-OAHLLOKOSA-N 244.338 2.410 0 40 BEAB biogenic CC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)O1 8783461 VOESNMFSVRKYQW-SDQBBNPISA-N 226.235 2.484 0 40 BEAB O=C1NC(=O)[C@H](c2ccccc2)c2ccccc21 3133355 KRIJGXCQQCPVIL-CYBMUJFWSA-N 237.258 2.089 0 40 BEAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1N 34268761 RIEQIRVXRYJFPZ-RYUDHWBXSA-N 218.344 2.102 0 40 BEAB in-vitro Cc1cc(N)ccc1NC(=O)c1ccccn1 22145984 BKENJHVPFOXTSM-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cc1ccc(CCC(=O)Nc2cnn(C)c2)cc1 25307722 DPNADUMENZWIMH-UHFFFAOYSA-N 243.310 2.300 0 40 BEAB CSCC(=O)N[C@H](C)c1cccs1 43545124 GOUSDQDHAXUCAE-SSDOTTSWSA-N 215.343 2.288 0 40 BEAB Cc1ccc(CNC(=O)c2cccs2)n1C 25467138 CQPSQFNQBODNKX-UHFFFAOYSA-N 234.324 2.325 0 40 BEAB COC(=O)c1[nH]cc(-c2ccccc2F)c1N 35462734 GWTUPBOJWRLEIN-UHFFFAOYSA-N 234.230 2.190 0 40 BEAB CC(=O)O[C@@H]1[C@H]2C[C@H]3CC[C@H]4CS[C@H]1[C@H]4[C@H]23 101043003 BONMBFVZKGKDFQ-KGUPDPQBSA-N 238.352 2.326 0 40 BEAB Cc1c([C@H](C)NC(=O)c2cccs2)cnn1C 25006293 VFKLLVLTXFNFLC-QMMMGPOBSA-N 249.339 2.281 0 40 BEAB C[C@]12CC3CC(NCCO)(C1)C[C@](C)(C3)C2 100067777 HXDRZBDZKHGPRZ-CEUNDQEZSA-N 223.360 2.317 0 40 BEAB CC(C)C(=O)NCc1cnn(-c2ccccc2)c1 12905597 FKAQKUIQAAWDFE-UHFFFAOYSA-N 243.310 2.145 0 40 BEAB CCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8558555 ZSSCBAYVGNQTKP-LLVKDONJSA-N 221.300 2.207 0 40 BEAB CCCC(C)(C)NC(=O)/C=C/c1cnccn1 65041229 OMTBEROASZTPQP-AATRIKPKSA-N 233.315 2.185 0 40 BEAB C[C@H](c1nc2ccccc2s1)N1CCNCC1 19229994 ODJUAJUMDAPBJB-SNVBAGLBSA-N 247.367 2.263 0 40 BEAB in-vitro Sc1nnc(NC2CCCC2)s1 5826333 UGEBXWNCTRTMGN-UHFFFAOYSA-N 201.320 2.181 0 40 BEAB Nc1cc(-c2cc(Cl)ccc2F)[nH]n1 19441311 PTVBUJMTAGFCDV-UHFFFAOYSA-N 211.627 2.451 0 40 BEAB in-vitro CC(=O)c1ccccc1NC(=O)[C@H]1CCCO1 19510441 KGRCJBGGFKEGSU-GFCCVEGCSA-N 233.267 2.007 0 40 BEAB COc1ccc(CNc2ncccn2)c(OC)c1 70141403 LYKHJQWZCXZBTG-UHFFFAOYSA-N 245.282 2.106 0 40 BEAB COC[C@H](CC(C)C)OC(=O)c1cscn1 95394008 KVRSJBZYJSIOJS-VIFPVBQESA-N 243.328 2.361 0 40 BEAB COC(C)(C)c1nc(C)c(C(=O)O)s1 86071181 KWOQUQGRWWYXJV-UHFFFAOYSA-N 215.274 2.031 0 40 BEAB in-vitro CSCCCOc1c(C)nn(C)c1C 89512257 NQVXNQZQSPJBLE-UHFFFAOYSA-N 214.334 2.169 0 40 BEAB N[C@]1(C(=O)O)C[C@H]1c1cc(Cl)cc(Cl)c1 62713258 MFCGDMLSOLLLNU-WCBMZHEXSA-N 246.093 2.263 0 40 BEAB CCN(CC)C(=O)c1cccc(OC)c1 30024 YYTOWTFIPGDNDQ-UHFFFAOYSA-N 207.273 2.177 0 40 BEAB biogenic OCCOC1CCC(NCc2ccccc2)CC1 79390549 UKHVRCQSPPWUJS-UHFFFAOYSA-N 249.354 2.096 0 40 BEAB Cc1cccc(CN(CC(=O)O)C(C)C)c1 32013856 MNXDMBUMWZOMEO-UHFFFAOYSA-N 221.300 2.290 0 40 BEAB NC(=O)c1ccc(NC2CCCCC2)c(N)c1 35330612 ZOEZOTWIBQCLGD-UHFFFAOYSA-N 233.315 2.112 0 40 BEAB CCOC[C@@H]1CO[C@H](/C=C/c2ccccc2)O1 38202702 SNOONPGSCTXEMP-VRZZLATASA-N 234.295 2.478 0 40 BEAB CC[C@@H](O)c1c(OC)cc(OC)cc1OC 40246543 LPPDDUCYQXCHPS-SECBINFHSA-N 226.272 2.156 0 40 BEAB CC(=O)Oc1ccc(C(=O)c2ccco2)cc1 43210684 JWZPIVJRJIBWNL-UHFFFAOYSA-N 230.219 2.436 0 40 BEAB COC(=O)CCC(=O)c1cc(C)ccc1OC 49827998 JXHVPQPQMDUNNS-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB COc1ccc([C@H](O)c2ccoc2)cc1 40244251 AVKIEDIRHGKOAS-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB O[C@@H](c1ccoc1)c1ccc2c(c1)OCCO2 40247359 PYDOJKMOUBBBIM-CYBMUJFWSA-N 232.235 2.133 0 40 BEAB Cc1ccoc1C(=O)NCC(F)(F)C(F)F 191378318 GTCVCWUAXNLFSJ-UHFFFAOYSA-N 239.168 2.218 0 40 BEAB Cc1cnc(NC(=S)NC2CC2)c(Cl)c1 224029900 AUYAOPDRGJWSDL-UHFFFAOYSA-N 241.747 2.492 0 40 BEAB COc1cc(Br)cnc1C(C)=O 95934612 YNEBOMXZZRMZEK-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB CC1(C)OC[C@H](COC(=O)c2cccs2)O1 96447646 PRTUXTMPXVNVPL-QMMMGPOBSA-N 242.296 2.056 0 40 BEAB CCOC(=O)c1ocnc1Cc1ccccc1 95091702 KUOQAWJIGPKKIN-UHFFFAOYSA-N 231.251 2.442 0 40 BEAB C[C@]1(CCC(=O)O)[C@H]2CC[C@]1(C)[C@H](N)C2 242687343 UFZBZBFBJHZVMJ-BSJXLVFVSA-N 211.305 2.005 0 40 BEAB Cc1cc(NCc2ccnn2CC(C)C)nn1C 256049808 BNBPJTLYOKWFBK-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB N[C@H]1C(=O)N(c2ccccc2)C12CCCCC2 256055059 YYNSQSDLHOMIHV-LBPRGKRZSA-N 230.311 2.063 0 40 BEAB O=C(N[C@H]1CCCOc2ccccc21)C1CC1 58379976 NMEATMYUGSWZNE-LBPRGKRZSA-N 231.295 2.427 0 40 BEAB C[C@H](CO)CSCC[C@@H]1CCCCN1C 85138447 OKGDEYDRIZZEBX-NEPJUHHUSA-N 231.405 2.222 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](N)CC[C@@H]21 263620033 RJIUIJWKWRYISX-VWYCJHECSA-N 240.347 2.123 0 40 BEAB CCOc1ccccc1O[C@H]1CCCNC1 12359903 FHQAQESFJQHBCG-NSHDSACASA-N 221.300 2.216 0 40 BEAB Cc1cccc(-c2cc(=O)[nH]c(C)n2)c1 12016179 WWMWFMGERSRVIF-UHFFFAOYSA-N 200.241 2.054 0 40 BEAB O=C(O)c1cccnc1OC1CCCCC1 19262328 DTAUTMCCLAWIDK-UHFFFAOYSA-N 221.256 2.491 0 40 BEAB CCc1cccc(NC(=O)C2CCNCC2)c1 19408740 ARWDNZFQAYVKDN-UHFFFAOYSA-N 232.327 2.187 0 40 BEAB O=C(CCC1OCCCO1)c1ccccc1 2581199 BMMLPRAKMUDLCT-UHFFFAOYSA-N 220.268 2.413 0 40 BEAB in-vitro c1ccc2c(c1)ncn2C1C[C@@H]2CC[C@H](C1)N2 12359759 OGOZBBGHZSRLBJ-FOSCPWQOSA-N 227.311 2.492 0 40 BEAB in-vitro C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)N1 8702476 QESTVEVMZBMELA-RKDXNWHRSA-N 239.750 2.109 0 40 BEAB COc1ncccc1NC(=O)c1ccc(F)cc1 37991329 JXTRKAZDYRXEKM-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CC[C@@H]1CN(C(=O)Nc2ccccc2)CCO1 32779457 KPOZWHAIJAZNPA-GFCCVEGCSA-N 234.299 2.329 0 40 BEAB O=Cc1cnc2c(C=O)sc3cccc1-n-3-2 4263371 JQVNHQGHCVJULP-UHFFFAOYSA-N 230.248 2.101 0 40 BEAB CCc1ccccc1NC(=O)C(=O)N[C@H](C)CC 10327118 SHEZFFPBPMNUOR-SNVBAGLBSA-N 248.326 2.102 0 40 BEAB Cc1c(C)n(C2CCCC2)c2nc[nH]c(=O)c12 13998072 MMVXYEXGOQRXMM-UHFFFAOYSA-N 231.299 2.457 0 40 BEAB COCCCNC(=O)Nc1ccc(F)cc1C 40526614 XCJLPXCNEJASML-UHFFFAOYSA-N 240.278 2.292 0 40 BEAB Brc1c[nH]nc1-c1cccnc1 31990400 QPQAWYNVLARCIB-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB CCNC(=O)c1c(-c2ccccc2)noc1C 119769 WUZODTCWKPXULS-UHFFFAOYSA-N 230.267 2.400 0 40 BEAB CC(C)(C)c1ccc(OCC(=N)N)cc1 124316 FWWUZXQYIDAKDS-UHFFFAOYSA-N 206.289 2.299 0 40 BEAB in-vitro COc1ccc(N(C=O)C(=S)SC)cc1 524740 QSDOJOLUFJQAQR-UHFFFAOYSA-N 241.337 2.306 0 40 BEAB COc1ccccc1C(=O)NCC(C)C 831987 PWMLCRMVXOCZCH-UHFFFAOYSA-N 207.273 2.081 0 40 BEAB CCC(=O)O[C@H](C)CC(C)(C)OC(=O)CC 1682269 PJHCJPZDUNHLPD-SECBINFHSA-N 230.304 2.450 0 40 BEAB O=C1NC[C@](c2ccccc2)(C2CC2)O1 1692821 BYEZCZQEGPOFDE-LBPRGKRZSA-N 203.241 2.032 0 40 BEAB CCOC(=O)CCC(=O)C1CCCCC1 2379023 FCERNGANVYWSDA-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB CN1[C@@H]2CC[C@@H]1CC(NCc1ccccc1)C2 3683973 IJBWOPMYRYEKGI-HUUCEWRRSA-N 230.355 2.401 0 40 BEAB CC(C)(C(=O)O)[C@H](CC(=O)O)c1ccccc1 3843408 LGTSWNASWTXLDW-SNVBAGLBSA-N 236.267 2.356 0 40 BEAB biogenic CC(=O)c1ccc2[nH]cc(C[C@H](C)N)c2c1 4029006 ZEOIZSIQVVDMLJ-QMMMGPOBSA-N 216.284 2.260 0 40 BEAB biogenic CCCOc1ccc(CN)cc1OCC 4227551 GZQOPJITBMCEMX-UHFFFAOYSA-N 209.289 2.333 0 40 BEAB O=C(/C=C/c1ccccc1)NCc1ccncc1 5338286 JHWPPVPFIARWSI-VOTSOKGWSA-N 238.290 2.411 0 40 BEAB C[C@H]1CCCCN1C(=O)COc1ccccc1 5529149 RTSZFAOSHRDVRO-LBPRGKRZSA-N 233.311 2.466 0 40 BEAB CC[C@@H](C)NC(=O)c1cccnc1Cl 6116734 QFLXUEXNFXGGKP-SSDOTTSWSA-N 212.680 2.263 0 40 BEAB Cc1cccc2c(C[C@H](C)N)cn(C)c12 9423285 KKCUXUGDMDZXIK-JTQLQIEISA-N 202.301 2.376 0 40 BEAB C[C@H]1C[C@H](C)CN(Cc2ccc(C(N)=O)cc2)C1 12977812 JXXVXAFESMOPDX-RYUDHWBXSA-N 246.354 2.263 0 40 BEAB COc1nc2ccccc2c(OC)c1C=O 13216057 YMAJNFACLBMODR-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB Cc1ccc(NC(=O)c2cnccn2)cc1F 13325542 KKMACMDPTPIZNC-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB O=C(O)[C@@H]1CCN[C@H]1c1ccc(Cl)cc1 22204792 YTJTWNRDSJORDF-ZJUUUORDSA-N 225.675 2.075 0 40 BEAB C[C@@H]1CNC[C@@H](C)N1CCc1ccc(F)cc1 22911492 YHEJSJMRHMGUTB-VXGBXAGGSA-N 236.334 2.050 0 40 BEAB COC(=O)Nc1sc(N)nc1-c1ccco1 27015870 BUNFYKYWTIULKO-UHFFFAOYSA-N 239.256 2.164 0 40 BEAB CC(C)c1n[nH]c(-c2ccccc2N)n1 32937878 AQXJICYQPAOGGM-UHFFFAOYSA-N 202.261 2.177 0 40 BEAB in-vitro O=C(O)CCc1ccc2ncccc2c1 35569624 UPKRMFOVLLETOW-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB CCc1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 40489573 BVDLLUDDKZKNFM-NXEZZACHSA-N 223.320 2.110 0 40 BEAB Cc1cc(N2CCC[C@@H](N)C2)c2ccccc2n1 41030132 DJJFXUTWWDOYRO-GFCCVEGCSA-N 241.338 2.471 0 40 BEAB COc1ccccc1OCC[C@H]1CCCNC1 42772393 DENCIVHMBLBKIL-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB CCCCCNC(=O)c1ccc2nccn2c1 57757230 ZWSOIBJWCNIFKD-UHFFFAOYSA-N 231.299 2.254 0 40 BEAB COc1cccc(-c2cc[nH]c(=O)c2)c1 65337769 QHTJJHJMXUQSRF-UHFFFAOYSA-N 201.225 2.051 0 40 BEAB Clc1cccc(CNC[C@H]2CCCN2)c1 72202837 PMTRXXSTDJNHED-GFCCVEGCSA-N 224.735 2.182 0 40 BEAB CC[C@H](N)[C@@H]1CCCN1C(=O)OC(C)(C)C 72208641 VXVKOWIGVDIUNF-UWVGGRQHSA-N 228.336 2.123 0 40 BEAB CC(C)Oc1ncccc1C1=NCCC1 72211940 CNUIKBJKLMPFQY-UHFFFAOYSA-N 204.273 2.452 0 40 BEAB CC(C)N1CCC(c2cncc(N(C)C)n2)CC1 72356985 LGJSEIAVVMIGAN-UHFFFAOYSA-N 248.374 2.130 0 40 BEAB COC(=O)c1cc2[nH]cnc2cc1Cl 73740235 JJZUSCSRAMBIJO-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB COCCCNC(=O)C(C)(C)c1ccccc1 74642656 AFAZVWXYFOVQGE-UHFFFAOYSA-N 235.327 2.117 0 40 BEAB Cc1cnc(C(=O)N(CC2CC2)CC2CC2)cn1 78733276 ZBIMSZJMXYFRSJ-UHFFFAOYSA-N 245.326 2.047 0 40 BEAB CC(C)[C@@H](C)N(C(=O)Nc1cn[nH]c1)C1CC1 78991741 RHSIJSFERFTTOA-SECBINFHSA-N 236.319 2.451 0 40 BEAB CC[C@H](C)[C@H](CO)Nc1ncccc1F 84487541 CXGLKRWJIIHZHE-WPRPVWTQSA-N 212.268 2.040 0 40 BEAB Cc1cc(C)c2c(c1)OC[C@H]2CC(=O)O 84771965 ROIYRRVXFBPGEM-SECBINFHSA-N 206.241 2.254 0 40 BEAB Cc1nc(N)sc1-c1ccnc(C2CC2)n1 95629761 QGRFIFYWZXQQJX-UHFFFAOYSA-N 232.312 2.368 0 40 BEAB Cc1cc(CS[C@@H]2CCO[C@@H]2C)no1 95974153 PUQZKTBAOXMEBJ-PSASIEDQSA-N 213.302 2.394 0 40 BEAB CCOCCSc1ncnc(CC)c1F 95981603 WYRKJSKHGTWACY-UHFFFAOYSA-N 230.308 2.307 0 40 BEAB O=C(NCCn1cccc1)[C@@H]1C[C@@H]1c1ccco1 96449880 XQOQKFLYYGFBKS-NWDGAFQWSA-N 244.294 2.001 0 40 BEAB O=C(O)CN(C(=O)C1CCC1)C1CCCCC1 97228640 WBSWDOSXRXXOIE-UHFFFAOYSA-N 239.315 2.032 0 40 BEAB c1ccc(-c2n[nH]cc2NC2CCOCC2)nc1 97376876 MFDAOQDRGDCXID-UHFFFAOYSA-N 244.298 2.063 0 40 BEAB c1[nH]nc2c1CCC[C@@H]2OCCN1CCCCC1 194442564 WMRHAHJRHYYJIM-ZDUSSCGKSA-N 249.358 2.290 0 40 BEAB Nc1cnccc1C(=O)c1cnc2ccccc2c1 199712903 DHCVQNJBKWPAAR-UHFFFAOYSA-N 249.273 2.443 0 40 BEAB O=C(O)/C=C/NC(=O)Nc1ccc(Cl)cc1 222696135 MRFLEJRECCHWHX-AATRIKPKSA-N 240.646 2.060 0 40 BEAB CO[C@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2 247960981 OOPLSSYSZHFKFT-WCQGTBRESA-N 238.356 2.061 0 40 BEAB Cc1noc(CN2CCC(C(F)(F)F)CC2)n1 334291740 MBRRZDQTUSTENK-UHFFFAOYSA-N 249.236 2.152 0 40 BEAB CC(=O)OCC(=O)c1cc(Cl)ccc1C 382703528 QLAAWYZXLPSFJX-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB O=Cc1cc2c(c(-c3cncc(F)c3)c1)OCO2 521399418 FQDGHPQSHHTZEP-UHFFFAOYSA-N 245.209 2.429 0 40 BEAB CC(C)C=C1N[C@H](c2ccccc2)OC1=O 2049250032 GFCWYYFWAQGXPR-LBPRGKRZSA-N 217.268 2.372 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1 1358453 RPAIGRSKXCLDSS-UHFFFAOYSA-N 247.298 2.169 0 40 BEAB O=C1CSCN1c1ccc(Cl)cc1 1387377 LDYVOKFMSSZZHH-UHFFFAOYSA-N 213.689 2.377 0 40 BEAB CC(C)[C@@H]1N=C(c2ccccc2)OC1=O 1585532 KSSKJTXJMKNHPG-JTQLQIEISA-N 203.241 2.015 0 40 BEAB in-vitro CN(C)Cc1ccccc1CC(C)(C)O 1693776 BIGJCQVKHFYTKC-UHFFFAOYSA-N 207.317 2.062 0 40 BEAB O=C(O)CCCC(F)(F)C(F)(F)F 2540400 VQNQZVLVFCPHTP-UHFFFAOYSA-N 206.110 2.439 0 40 BEAB CCOC(=O)C1=Cc2ccc(OC)cc2OC1 2599385 QSPBVDYSFQIUGM-UHFFFAOYSA-N 234.251 2.034 0 40 BEAB in-vitro Cc1nn(C)c2nc(C(F)(F)F)ccc12 2741005 DNQFKZWUGVUYIM-UHFFFAOYSA-N 215.178 2.296 0 40 BEAB CC(C)(C)c1ccc(C(=O)NCCC(=O)O)cc1 3278544 HJOIFNWQEBIKGT-UHFFFAOYSA-N 249.310 2.189 0 40 BEAB in-vitro CC(=O)Nc1nnc(-c2ccccc2Cl)o1 4275887 BQXKVUMFPWKJHH-UHFFFAOYSA-N 237.646 2.348 0 40 BEAB CCCC(CCC)[C@@H](C(=O)O)C(=O)OCC 4277079 SMGMZCACYMLWFD-JTQLQIEISA-N 230.304 2.467 0 40 BEAB CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O 4372925 IVOGNGTWIAHILF-UHFFFAOYSA-N 240.262 2.038 0 40 BEAB CCCCCN1C(=O)CCC(C(=O)OC)=C1C 4726753 OEQJKBJATNCHNX-UHFFFAOYSA-N 239.315 2.246 0 40 BEAB CCc1nnc(-c2ccccn2)nc1CC 5241134 CTHOVPODUCLZPG-UHFFFAOYSA-N 214.272 2.058 0 40 BEAB CC(C)[P@@](=O)(CC(=O)O)c1ccccc1 5733645 VCEAYCFLVDQAAI-HNNXBMFYSA-N 226.212 2.168 0 40 BEAB Cc1n[nH]c2nc3ccccc3c(C(=O)O)c12 8548686 SHWIJBOEJHTICK-UHFFFAOYSA-N 227.223 2.118 0 40 BEAB COc1cccc(C(=O)O[C@H]2CCCCC2=O)c1 8848129 HVBCOPCCBOWVPA-ZDUSSCGKSA-N 248.278 2.364 0 40 BEAB CCC(C)(C)c1nnc(NC(C)=O)s1 9190859 ZVNWUHWTOKWODC-UHFFFAOYSA-N 213.306 2.184 0 40 BEAB CCOc1ccccc1OC1CCNCC1 12359838 IPOFRRUDIUKVAL-UHFFFAOYSA-N 221.300 2.216 0 40 BEAB in-vitro Cc1cc(C(=O)Nc2nc3c(s2)CCC3)on1 12422402 GYAYJWOKONJQAQ-UHFFFAOYSA-N 249.295 2.181 0 40 BEAB CC(C)C(=O)N1CCCc2c(C(=O)O)cccc21 13390289 LXMVPWNCTHIOKJ-UHFFFAOYSA-N 247.294 2.320 0 40 BEAB CCCCC(=O)N1CCc2cc(C(=O)O)ccc21 13449753 VDHCFYJUISCAIC-UHFFFAOYSA-N 247.294 2.464 0 40 BEAB O=c1ccc2c(O)cc3occc3c2o1 14557924 OOWBIFOFDYBTAE-UHFFFAOYSA-N 202.165 2.245 0 40 BEAB biogenic,in-vitro O=Cc1ccc(-c2ccc(C(=O)O)s2)nc1 20357775 QBBNYDUAMBNNIT-UHFFFAOYSA-N 233.248 2.321 0 40 BEAB COC(C)(C)C[C@H](C)NCc1cccnc1 20524652 RUTMHPLESCJQID-NSHDSACASA-N 222.332 2.375 0 40 BEAB CCOc1ncccc1NC(=O)c1cc(C)no1 27515632 XXXWFJPDCJFWHP-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB Cc1cc2c(Br)c(N)cnc2[nH]1 31777227 ZJSQCICLEOZNRQ-UHFFFAOYSA-N 226.077 2.216 0 40 BEAB CCN(CC(=O)O)Cc1ccccc1Cl 32015462 ZCIIOFYIPIKDAY-UHFFFAOYSA-N 227.691 2.247 0 40 BEAB Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1C 32104803 DTFGYXHFNAPVRP-CQSZACIVSA-N 249.354 2.440 0 40 BEAB O=C(c1cncn1-c1ccccc1)N1CCCC1 32718832 VOAGLHGOEPXSQK-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB Cc1cnc(NCc2ccco2)c(N)c1 36226353 FZVSUQWUOSGITP-UHFFFAOYSA-N 203.245 2.177 0 40 BEAB CCC(C)(C)NC(=O)/C=C/c1cccnc1 36397330 NZVOQSSBWQPIJO-BQYQJAHWSA-N 218.300 2.400 0 40 BEAB CN(Cc1ccco1)C(=O)CCc1ccco1 40009647 FOVNFZGPMIAHBD-UHFFFAOYSA-N 233.267 2.464 0 40 BEAB Fc1cccc(-c2nc(-c3cnccn3)n[nH]2)c1 40164163 BKNNPEGEDMJCRG-UHFFFAOYSA-N 241.229 2.068 0 40 BEAB CNC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 40740304 WVRGSCNPWBJQCH-FGWVZKOKSA-N 240.347 2.136 0 40 BEAB in-vitro C[C@H]1CN(c2ncnc3ccccc23)C[C@H](C)O1 41476130 NONTWCXZCNNCBF-QWRGUYRKSA-N 243.310 2.243 0 40 BEAB Cc1n[nH]c(Sc2ccc(N)cc2Cl)n1 42290431 ODIHOUFHHAOFAL-UHFFFAOYSA-N 240.719 2.500 0 40 BEAB COc1cccc([C@H](O)C(F)(F)F)c1OC 43367914 CIBJLXFUDOZNOB-VIFPVBQESA-N 236.189 2.300 0 40 BEAB Cc1cc(O)c(/C=C/C(=O)O)cc1Cl 44214544 QFZLMWORZPKRTC-NSCUHMNNSA-N 212.632 2.452 0 40 BEAB C[C@H](NCc1ccncn1)c1cccc(O)c1 54789525 UHHQPBLMBLQFFE-JTQLQIEISA-N 229.283 2.033 0 40 BEAB CNC[C@@H](OC(C)C)c1ccc2c(c1)OCO2 62711646 PJVVURLBTSPCQM-CYBMUJFWSA-N 237.299 2.101 0 40 BEAB CCNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72194412 DJWOKZBYDLULCT-NSHDSACASA-N 242.363 2.243 0 40 BEAB CC[C@H](O)c1ccc(N(C)CC)nc1C 72224279 LGWPPWGQSSMPAY-NSHDSACASA-N 208.305 2.290 0 40 BEAB COCCSc1ccc(OC)c(OC)c1 77495820 YZJQVVOQTHALRR-UHFFFAOYSA-N 228.313 2.442 0 40 BEAB c1cnc(NCCCNCc2ccsc2)nc1 83474531 GAURSGOYORVLKM-UHFFFAOYSA-N 248.355 2.130 0 40 BEAB Cc1nc(CSCC(C)C)ncc1C(=O)O 83497804 DCMYNHLVUSZPBT-UHFFFAOYSA-N 240.328 2.372 0 40 BEAB CCOC(=N)c1ccc(N2CCC(O)CC2)cc1 89212559 OWCANWHHJOWDCD-UHFFFAOYSA-N 248.326 2.010 0 40 BEAB FC(F)(F)C(F)(F)c1ccc(S)nn1 91252797 XEWZSMRRKCGDHM-UHFFFAOYSA-N 230.161 2.419 0 40 BEAB C[C@H]1CC[C@H](C(=O)Nc2cc(O)cc(F)c2)O1 95450288 ZTASEZBMIDZFTR-WRWORJQWSA-N 239.246 2.037 0 40 BEAB Cc1ccc(OCc2ccnc(N(C)C)c2)nc1 97139653 NTPCPAOHQNZHDF-UHFFFAOYSA-N 243.310 2.430 0 40 BEAB N[C@@H]1CCN([C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 97165789 STHREKKEZYPTTF-KFWWJZLASA-N 248.345 2.495 0 40 BEAB COC[C@H](NCc1ncccc1C)c1ccco1 97238398 ATRUQMWCMGHICT-ZDUSSCGKSA-N 246.310 2.460 0 40 BEAB OC[C@H]1CCCC[C@@H]1NC1CCSCC1 98012727 VGQKLIAGKJEWBB-PWSUYJOCSA-N 229.389 2.023 0 40 BEAB CC1(C)[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 98013445 KYQOOIQRIRKMNX-AOOOYVTPSA-N 205.257 2.008 0 40 BEAB O=C1Nc2ccc(F)cc2[C@H]1CCCCO 100047054 BJTPHHHQUXBPKI-SECBINFHSA-N 223.247 2.024 0 40 BEAB C[C@@]12CC[C@H](C[C@@H]1N)[C@@]2(C)CCC(=O)O 103612215 UFZBZBFBJHZVMJ-RBLKWDMZSA-N 211.305 2.005 0 40 BEAB CC(C)[C@H](CC(=O)NCC(=O)O)c1ccccc1 195541439 RXLPTPGUOVAABK-LBPRGKRZSA-N 249.310 2.017 0 40 BEAB Nc1ccc(NC2CCCC2)c(-n2cnnc2)c1 216751092 UENPMCPHWQSRGE-UHFFFAOYSA-N 243.314 2.204 0 40 BEAB O=C(O)c1cnc(=S)n(-c2ccccc2)c1 217677003 GFXPFWJHQGQTGS-UHFFFAOYSA-N 232.264 2.300 0 40 BEAB CCO[C@@H](Cc1cccc(Cl)c1)C(=O)O 220528111 LBNIRWNEQPMYGX-JTQLQIEISA-N 228.675 2.372 0 40 BEAB NC(=O)CSCc1ccc(Cl)cc1F 224688318 GZIVOOHGGZHVBG-UHFFFAOYSA-N 233.695 2.198 0 40 BEAB CCCNC(=O)c1ccc(NC(C)C)c(N)c1 225406208 MZLKGXKLZNAFJM-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1cccnc1Cl 242750730 ZXXKJEMOKZMKSL-IUCAKERBSA-N 226.707 2.175 0 40 BEAB COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)o1 252482804 DODIDWUMCFJTLM-NEPJUHHUSA-N 237.299 2.019 0 40 BEAB CCOCCCNCc1cnn(C(C)C)c1C 256052390 NDGCIEOEJOJILQ-UHFFFAOYSA-N 239.363 2.289 0 40 BEAB FC(F)c1nnc2cccc(Cl)n12 1848350265 QCLAQNXSDLFKFJ-UHFFFAOYSA-N 203.579 2.320 0 40 BEAB Cc1c(Cl)cccc1NS(C)(=O)=O 29498 PFCAWYBIPIVFEW-UHFFFAOYSA-N 219.693 2.020 0 40 BEAB O=c1cc(O)c2c(F)c(F)c(F)c(F)c2o1 51035 GTGXMMDULRSQBK-UHFFFAOYSA-N 234.104 2.055 0 40 BEAB O=C(Nc1ncccn1)Nc1ccccc1F 398206 JZCOLLQCNVSDIY-UHFFFAOYSA-N 232.218 2.260 0 40 BEAB c1ccc(-c2cnc3n2CCOC3)cc1 1509216 PXIYZYDSRFBZEB-UHFFFAOYSA-N 200.241 2.080 0 40 BEAB COc1ccc(OC)c2c1C(=O)C[C@H]2C 2035099 SUEAWVWSLMANOD-SSDOTTSWSA-N 206.241 2.394 0 40 BEAB COc1ccccc1C(=O)CC(C)(C)C(=O)O 2378754 HWGYGJQIPTWYPR-UHFFFAOYSA-N 236.267 2.379 0 40 BEAB O=C(O)[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)O 3850366 RWSYNXBHJLTYDC-VXGBXAGGSA-N 242.230 2.190 0 40 BEAB biogenic CCN1C(=O)S/C(=C/c2cccn2C)C1=O 4472258 REJVUDCCHFACHG-VQHVLOKHSA-N 236.296 2.081 0 40 BEAB Cc1n[nH]c2c1[C@@H](c1cccc(F)c1)N(C)C2=O 4909050 VKJZKUQGFXRCBG-GFCCVEGCSA-N 245.257 2.032 0 40 BEAB Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 6212789 NNCXQDRDIJVINL-GFCCVEGCSA-N 234.299 2.296 0 40 BEAB CO[C@H](C(=O)O)c1ccc(Cl)cc1 6483172 OFASTQPKCTUSPZ-QMMMGPOBSA-N 200.621 2.112 0 40 BEAB CCOc1ccccc1N[C@H](C)C(=O)NC1CC1 7057023 SGAAWSWKNLQWJY-SNVBAGLBSA-N 248.326 2.164 0 40 BEAB COc1ccccc1NC(=O)CNC(C)(C)C 8187836 LHGHWELFJIVTFC-UHFFFAOYSA-N 236.315 2.022 0 40 BEAB CCc1cc(=O)[nH]c(Nc2cccc(C)c2)n1 11991416 QQWSXHPTAXDSNY-UHFFFAOYSA-N 229.283 2.384 0 40 BEAB Fc1ccc(-c2n[nH]c([C@H]3CCCN3)n2)cc1 12114028 WDPPEBUDKVVXTC-SNVBAGLBSA-N 232.262 2.035 0 40 BEAB COc1ccc(C)cc1OC1CCNCC1 12359874 WPUJDGCACOBYRF-UHFFFAOYSA-N 221.300 2.134 0 40 BEAB CONC(=O)c1csc2ccccc12 12906868 MJRJDTTVSAIYKB-UHFFFAOYSA-N 207.254 2.193 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)cc1 12979447 VBUJCSMOXICNDW-BXKDBHETSA-N 221.275 2.440 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(F)cc(F)c1 13004349 ZEBBQXRYKLHOMH-SSDOTTSWSA-N 213.227 2.493 0 40 BEAB CCS(=O)(=O)N[C@H](C)c1cc(C)ccc1C 14219273 XOOYEWHJIIELEU-LLVKDONJSA-N 241.356 2.304 0 40 BEAB CCOC(=O)/C=C(\C)Nc1ccccc1N 17060964 QIYDEADWGTUJTL-CMDGGOBGSA-N 220.272 2.148 0 40 BEAB Cc1ccccc1-n1[nH]c(C)c(C)c1=O 17832024 JRTPIDPDVJYMAR-UHFFFAOYSA-N 202.257 2.091 0 40 BEAB Cc1nc(N)sc1CN1CCC(C)CC1 19722530 DTNZBOZRJHLVHB-UHFFFAOYSA-N 225.361 2.266 0 40 BEAB Nc1cccc(OCC(=O)N2CCCCCC2)c1 19816810 NJYCRJRXXPLYFN-UHFFFAOYSA-N 248.326 2.050 0 40 BEAB O=C(O)Cc1noc2ccc(Cl)cc12 19946255 SOEYFTOJPIHAOD-UHFFFAOYSA-N 211.604 2.108 0 40 BEAB COc1cc2c(cc1OC)C(=O)[C@H](C)C2 21989839 DRWBHZSJKUMHGN-SSDOTTSWSA-N 206.241 2.079 0 40 BEAB CCN(CC)CCN(C)C1Cc2ccccc2C1 22586793 XWZCOOJAGRVUMM-UHFFFAOYSA-N 246.398 2.427 0 40 BEAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1 32012606 MCDIIVJZXXFTDP-KCJUWKMLSA-N 211.692 2.389 0 40 BEAB in-vitro NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 32445521 UZOHZMOJLIOLON-LBPRGKRZSA-N 224.735 2.436 0 40 BEAB in-vitro Cn1cccc1C(=O)Nc1ccc(F)cc1 32975895 OZFYRKJIWCILKG-UHFFFAOYSA-N 218.231 2.417 0 40 BEAB O=C(O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 34279447 QSLSQLYQCKEGMS-VIFPVBQESA-N 244.168 2.478 0 40 BEAB N[C@@H]1C[C@@H]1c1ccc(Br)s1 37381258 YOZWARUYCJJUCK-CRCLSJGQSA-N 218.119 2.325 0 40 BEAB C=CC(=O)N1CCCc2cccc(OC)c21 37839058 QBCDDPNYAGWAMF-UHFFFAOYSA-N 217.268 2.160 0 40 BEAB CCOC(=O)[C@@H](C)Nc1ccc(OC)cc1 37953076 ZHRAVGUDFQEZHF-SECBINFHSA-N 223.272 2.059 0 40 BEAB Cc1cc(-c2cccc(C(=O)O)c2)on1 39956212 JSAHTCSFHQVFIK-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB COC(=O)c1ccc(N2CCCC[C@@H]2C)c(N)c1 41079749 GSHFHUHDBDJASX-JTQLQIEISA-N 248.326 2.434 0 40 BEAB O=C(C1CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 41172157 WLZRMOFYHOEQTP-CYBMUJFWSA-N 249.285 2.136 0 40 BEAB CC(=O)Nc1cccc(NC(=O)NCC2CC2)c1 43655901 UAMYWZIYSWIPRL-UHFFFAOYSA-N 247.298 2.177 0 40 BEAB C[C@H]1CCCCN1CCNC(=O)C1CCCC1 46859223 RZLUZGURFULRDM-LBPRGKRZSA-N 238.375 2.167 0 40 BEAB COc1ccc(C)cc1CN1CCCC[C@@H]1CO 49750909 BVMJQPRCOFWWOJ-CQSZACIVSA-N 249.354 2.350 0 40 BEAB COC[C@@H](C)Nc1ccc(NC(C)=O)cc1 53171935 JISGFIKAYVBDIV-SECBINFHSA-N 222.288 2.092 0 40 BEAB C[C@@H]1Cc2c(n(C)c3ccccc23)C(=O)O1 68605306 YGADGSHUOZTXSU-MRVPVSSYSA-N 215.252 2.280 0 40 BEAB CCCN(C)CC(=O)N[C@H](C)CCC(C)C 69091848 XRVYQGHAIOUHPI-GFCCVEGCSA-N 228.380 2.269 0 40 BEAB CC(C)=CC(=O)N[C@@H](C)c1cccnc1 69347742 NFFHVXGSBUCHMT-JTQLQIEISA-N 204.273 2.225 0 40 BEAB Cc1ccnc(N)c1C(=O)c1ccccc1F 70402127 FVPKDUHXJSBABR-UHFFFAOYSA-N 230.242 2.342 0 40 BEAB CCn1c(C(=O)O)cc2ccc(F)cc21 71976858 SHYFQKDFTNPSPH-UHFFFAOYSA-N 207.204 2.499 0 40 BEAB CCOc1cccc2c(C(=O)O)ccnc12 72206427 PMUASXGFIWQPNU-UHFFFAOYSA-N 217.224 2.332 0 40 BEAB Cc1cc(NC(=O)/C=C/c2ccncc2)ccn1 72281116 JOIVKOOMIJZYNY-NSCUHMNNSA-N 239.278 2.437 0 40 BEAB Cc1nc([C@@H]2CCCN2C2CCCC2)cc(=O)[nH]1 72356826 BAOISJKRASXGEE-ZDUSSCGKSA-N 247.342 2.158 0 40 BEAB CNc1cncc(C2CCN(CC3CC3)CC2)n1 72361346 ZWDARWRLULGECC-UHFFFAOYSA-N 246.358 2.108 0 40 BEAB COc1cc(OC)c2cc(C=O)oc2c1 74187890 CGKXSPVNHTZZGR-UHFFFAOYSA-N 206.197 2.263 0 40 BEAB O=C(O)CC1CCN(CCC(F)(F)F)CC1 75175069 SSAKNCNMXYRBPE-UHFFFAOYSA-N 239.237 2.126 0 40 BEAB Cc1ncc(Cl)c(C(=O)OC[C@@H]2C[C@H]2C)n1 76090298 GBJQZVCXGQGFRY-SVRRBLITSA-N 240.690 2.251 0 40 BEAB CC(C)(C)OC(=O)CC1(N)CCCCC1 82771125 XPMYHQZSQVRGJB-UHFFFAOYSA-N 213.321 2.380 0 40 BEAB CCOC(=O)/C=C/c1ccc(C)cc1O 83291648 WQIRMJMBMPEMKP-VOTSOKGWSA-N 206.241 2.277 0 40 BEAB O=C(O)C[C@@H](c1cccc(O)c1)C1CC1 84383315 QDUBBYWKNCGSOJ-LLVKDONJSA-N 206.241 2.361 0 40 BEAB COc1ccc(C)cc1C1([C@H](C)O)CC1 84383720 RKEPZGRUGFVHQQ-JTQLQIEISA-N 206.285 2.416 0 40 BEAB C[C@@H]1CC[C@@H](COC(=O)c2ccoc2)O1 95446124 FBKKYUZIFOVWBS-SCZZXKLOSA-N 210.229 2.004 0 40 BEAB c1cncc(CN2CCC[C@H]2c2ncc[nH]2)c1 95459763 GGGZQZOJWWTRAB-LBPRGKRZSA-N 228.299 2.142 0 40 BEAB Cc1nscc1C(=O)O[C@@H](C)C1CC1 95469305 FEYWLNNGIJMJQP-ZETCQYMHSA-N 211.286 2.407 0 40 BEAB CC(=O)OCC[C@@H](C)CC[C@H](F)C(C)(C)O 95470367 CUAABNZMYPAGAI-ONGXEEELSA-N 234.311 2.465 0 40 BEAB CC[C@H]1CCN(C(=O)Nc2ccncc2F)C1 95940270 VDYSSZPDPSGXAZ-VIFPVBQESA-N 237.278 2.485 0 40 BEAB OC[C@@H]1CCC[C@@H]1Nc1nc2ccccc2[nH]1 95977453 WNWDHPOQAAXGTN-UWVGGRQHSA-N 231.299 2.136 0 40 BEAB C[C@@H]1C[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2O1 96070445 NJHZVKWJPYEUPS-KGYLQXTDSA-N 237.343 2.203 0 40 BEAB Brc1cnc(C2CCOCC2)nc1 96134331 AWFXDMOFRNSISC-UHFFFAOYSA-N 243.104 2.133 0 40 BEAB CCOC(=O)c1c[nH]c(-c2ccccn2)c1 96304394 MGOUSUZKDYFQFI-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB c1cc2c(s1)CCN[C@H]2COCC1CC1 96526592 HWVGGMRNIODNRW-NSHDSACASA-N 223.341 2.362 0 40 BEAB CC[C@H](COC)Nc1ccc(-n2ccnn2)cc1 129227859 AYJNTURPTSJHBJ-LLVKDONJSA-N 246.314 2.104 0 40 BEAB N=C(N)c1ccc(F)c(C(F)(F)F)c1 140407403 OXGKQLUNKCFQNS-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB Oc1cncc(OCc2ccccc2)c1 148008849 YWNDNQACHFFODO-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB in-vitro CCC[C@@H](C)N1CCC(Cn2cncn2)CC1 192832858 WOSCKSBKCRPALI-GFCCVEGCSA-N 236.363 2.179 0 40 BEAB CCn1nccc1CN(C)[C@H](C)c1cccnc1 195561944 CQUWDNPIDPDENL-GFCCVEGCSA-N 244.342 2.491 0 40 BEAB O=C(O)C[C@@H]1CC(=O)c2ccc(Cl)cc21 199554936 BTWMDBGRJAYOEG-LURJTMIESA-N 224.643 2.485 0 40 BEAB Cc1cc(NCc2cccc(O)c2)n(C)n1 237756454 PHLQMUXHADRUKU-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB Clc1ccc2c(c1)[C@@]1(CC2)COCCN1 306145527 HTBJMLQEJQRECZ-GFCCVEGCSA-N 223.703 2.101 0 40 BEAB N=c1[nH]c2ccc(OCC(F)F)cc2s1 408715169 SJXSEPSLRZGIOX-UHFFFAOYSA-N 230.239 2.353 0 40 BEAB CN(Cc1ccc2cnccc2c1)[C@@H]1CCOC1 683829105 MXZBWWJGIAZQRB-OAHLLOKOSA-N 242.322 2.456 0 40 BEAB Cc1ccncc1NC(=O)c1ccc(F)c(C)n1 1888866616 IOEKMCLXTUHBTE-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB COc1ccccc1CNC(=O)c1cccnc1 29326 ZUNAVUWRSKKHAQ-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB biogenic O=C(Nc1ccncc1)Nc1ccncc1 798248 QRRGJASIECDXQW-UHFFFAOYSA-N 214.228 2.121 0 40 BEAB in-vitro CC[C@@H](C)OC(=O)[C@@H](O)c1ccccc1 1693713 HFSGWDZFNVDYJK-KOLCDFICSA-N 208.257 2.062 0 40 BEAB O=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccccc1 2737099 KRMDOGUODZDKRY-GHMZBOCLSA-N 246.335 2.009 0 40 BEAB CCOCCCNCc1ccccc1F 2923960 WOPZERFLMVBFOY-UHFFFAOYSA-N 211.280 2.342 0 40 BEAB c1ccc(-c2nnc(C[n+]3ccccc3)o2)cc1 3157477 BZKMMWJDZUXSDE-UHFFFAOYSA-N 238.270 2.072 0 40 BEAB CC(C)(C)C1=C[C@](O)(C(C)(C)C)OC1=O 4419577 JHMQKONPMTWJSW-GFCCVEGCSA-N 212.289 2.250 0 40 BEAB OCCCNc1ncnc2c1oc1ccccc12 4476207 PXOLQSXSWNYVLC-UHFFFAOYSA-N 243.266 2.170 0 40 BEAB O=C(O)CNCc1c(Cl)cccc1Cl 4670101 ILKDPXNSQNXPHP-UHFFFAOYSA-N 234.082 2.168 0 40 BEAB CCC(=O)N1CCC(c2ccc(OC)cc2)=N1 4672343 XFBIQSWNRCJZLY-UHFFFAOYSA-N 232.283 2.042 0 40 BEAB biogenic CNC1=NN=C(c2ccc(C)cc2C)CS1 6114556 UNRLSVAGUSJMSH-UHFFFAOYSA-N 233.340 2.330 0 40 BEAB O=C(N[C@@H]1CCOc2ccccc21)C1CCC1 7215028 IYVBYXNAXRLWAE-GFCCVEGCSA-N 231.295 2.427 0 40 BEAB COC(=O)c1cccc(-n2cccc2C=O)c1C 8701951 KRJSANVOJPKNJD-UHFFFAOYSA-N 243.262 2.385 0 40 BEAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1 11754431 YUQCMQUNRUSYRK-JTQLQIEISA-N 224.691 2.031 0 40 BEAB CCOc1ccc(NC(N)=S)cc1OCC 12505972 RVYNTSSFWGHQQW-UHFFFAOYSA-N 240.328 2.140 0 40 BEAB Cc1nn(-c2ccccc2)c(N)c1S 31886642 YPJQZFUPWFYSMX-UHFFFAOYSA-N 205.286 2.052 0 40 BEAB CN(Cc1ccccc1F)C(=O)C1CC1 32960784 VPCDATPPDYHOAI-UHFFFAOYSA-N 207.248 2.194 0 40 BEAB Cc1cccc(C(=O)Nc2cn[nH]c2)c1C 35237564 XBXHEFSOVPGDIT-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB CCC[C@H](N)C(=O)N(CC)Cc1ccccc1C 36873428 NKHBLTCSYSXRQX-AWEZNQCLSA-N 248.370 2.471 0 40 BEAB O=C(O)[C@@H](Cc1ccccc1)N1CCCCC1 37362046 FIFXDBMEWBYGKO-CYBMUJFWSA-N 233.311 2.168 0 40 BEAB Cc1ccccc1CN[C@@H](C)CN1CCCC1=O 37782234 RBNCZVLCPORPRY-ZDUSSCGKSA-N 246.354 2.096 0 40 BEAB O=C(O)CCCCCCCn1ccnc1 38337192 OUQGDTNNZRAKIB-UHFFFAOYSA-N 210.277 2.308 0 40 BEAB in-vitro COc1ccc([C@H]2CCCNC2)cc1F 38539161 BHMIZWOGDWEVOB-JTQLQIEISA-N 209.264 2.301 0 40 BEAB CC(C)(C)[C@H](N)C(=O)N1CCCCCCC1 40459004 RIDHUMZIKFOLBX-LLVKDONJSA-N 226.364 2.153 0 40 BEAB COc1ccc([C@@H](CN)OC(C)C)cc1 42963195 YPVZCFMFGCSBKK-GFCCVEGCSA-N 209.289 2.120 0 40 BEAB CN(C)c1cccc(C(=O)CCCC(=O)O)c1 43214144 BYOWZVUTTNMZLP-UHFFFAOYSA-N 235.283 2.190 0 40 BEAB COc1ccc2c(c1)[C@@H](O)C[C@H](C(F)(F)F)O2 43464916 JFPBLFLXPAOFAF-WCBMZHEXSA-N 248.200 2.442 0 40 BEAB Cc1nc(CCc2ccccc2)ncc1C(=O)O 43557982 MYFPRXHHRVAZEF-UHFFFAOYSA-N 242.278 2.268 0 40 BEAB CC(C)NC(=O)N(Cc1cccnc1)C(C)C 48302399 WCTPAHKANQUAFZ-UHFFFAOYSA-N 235.331 2.410 0 40 BEAB COc1cccc(CC2(C(=O)O)CC2)c1 49813386 KAPCBQAWEBIVEE-UHFFFAOYSA-N 206.241 2.103 0 40 BEAB CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1F 55004669 HRGPLBXYHZBXQI-DTWKUNHWSA-N 225.263 2.038 0 40 BEAB CCCN(CCCO)Cc1ccccc1 58018147 PPWRORUKHUSGHT-UHFFFAOYSA-N 207.317 2.281 0 40 BEAB O=C(CCc1ccsc1)NCC(F)(F)F 60781632 SNDCDHVJTOMPHA-UHFFFAOYSA-N 237.246 2.359 0 40 BEAB O=C(NC1CC1)c1cc(-c2ccc(F)cc2)n[nH]1 70749379 YTCAOOCPEIPACE-UHFFFAOYSA-N 245.257 2.108 0 40 BEAB Fc1cccc(N2CCC(n3ccnc3)CC2)n1 71899523 RPLXPOQEUSFGLT-UHFFFAOYSA-N 246.289 2.259 0 40 BEAB Oc1nc([C@@H]2CCCNC2)cc2ccccc12 72365938 KUQYFVHUXBUYER-LLVKDONJSA-N 228.295 2.407 0 40 BEAB CCOCC(=O)Nc1cc(Cl)c(Cl)cn1 72529831 GIFWSDZKHYHDRS-UHFFFAOYSA-N 249.097 2.363 0 40 BEAB CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)SC)C1(C)C 73269027 SCJMDUOOKIPMPJ-YGOYTEALSA-N 245.388 2.058 0 40 BEAB Cc1cc(C)c2c(C)c(C(N)=O)sc2n1 73693879 VJNFNUACIXCEHL-UHFFFAOYSA-N 220.297 2.320 0 40 BEAB c1cc(CN2CCC[C@@H]3CCC[C@@H]32)no1 75769023 OWLLHAAHGLCMJY-JQWIXIFHSA-N 206.289 2.439 0 40 BEAB Cc1cnc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cn1 89702221 CTHXAURJHWXPAZ-RYUDHWBXSA-N 245.326 2.047 0 40 BEAB CN1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 89917912 WAKSRYDKPRPRLH-GFCCVEGCSA-N 240.391 2.016 0 40 BEAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(C)=O 95423385 OVCBAGNIFOUREM-QWRGUYRKSA-N 213.321 2.058 0 40 BEAB CC(C)(C)c1nc([C@@H](N)Cc2ccccc2)n[nH]1 95534903 ZOYWGKMIZAKMAP-NSHDSACASA-N 244.342 2.345 0 40 BEAB COCC[C@@H](NC(=O)NC1(C)CCC1)C(C)C 95974508 QZLFCAROMCFKAE-LLVKDONJSA-N 242.363 2.289 0 40 BEAB CCOc1cccc(NC(=O)c2cscn2)n1 96445108 AJSOTKSFWQFXMD-UHFFFAOYSA-N 249.295 2.189 0 40 BEAB CC(C)=CC/C=C1/CC[C@H]2C(=O)NC(=O)[C@@H]2C1 100742303 XPGHNXMVHVOVHW-XRHVUQDBSA-N 233.311 2.342 0 40 BEAB biogenic Nc1ccc(OC(F)(F)F)nc1Cl 118591736 HYCZXBJYCIKLON-UHFFFAOYSA-N 212.558 2.216 0 40 BEAB CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 131629979 CJAQGNWNALLARN-CHWSQXEVSA-N 219.284 2.043 0 40 BEAB CCCCC(F)(C(=O)OCC)C(=O)OCC 135760668 RXEISXHNNIYURG-UHFFFAOYSA-N 234.267 2.011 0 40 BEAB COC(=O)c1ccc(N2CCCCC2=O)cc1C 199821087 ZLQODBUJJSRNEX-UHFFFAOYSA-N 247.294 2.299 0 40 BEAB O=C(Nc1ccn2nccc2c1)C1CCCC1 217952508 TZIRGWYWDUVBNW-UHFFFAOYSA-N 229.283 2.463 0 40 BEAB COc1ccc2snnc2c1Br 218801000 DKPRDXMKWVEEMX-UHFFFAOYSA-N 245.101 2.462 0 40 BEAB CCCCNCc1cccn1CCCOC 223678537 CBDBDUZEDOSMLE-UHFFFAOYSA-N 224.348 2.414 0 40 BEAB Cc1ccc(N2CCN[C@@H]3CCC[C@@H]32)c(F)c1 225717759 WCLVXNUMFSIOLP-OCCSQVGLSA-N 234.318 2.465 0 40 BEAB COC(=O)c1nc2cccc(OC)c2s1 238422368 BPZZPYFNRWTMEF-UHFFFAOYSA-N 223.253 2.092 0 40 BEAB Cc1nn(CCF)cc1NCc1ccco1 256053766 STDWPDMAJIDJMD-UHFFFAOYSA-N 223.251 2.366 0 40 BEAB Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)s1 288436337 MXSHJBALIAEDRG-NXEZZACHSA-N 239.340 2.042 0 40 BEAB O=C(O)C1CC2(COC(c3ccccc3)OC2)C1 504221311 YYUYVNUTKKAXIE-UHFFFAOYSA-N 248.278 2.213 0 40 BEAB CN1CC[C@@H](Oc2cccc(C(F)(F)F)n2)C1 585655166 VWZPWUYBYRPVQH-MRVPVSSYSA-N 246.232 2.183 0 40 BEAB CC1=NN(c2ccc(C)cn2)C(=O)[C@@H]1C1CC1 634598765 RPKZLQUJDIQUSM-LBPRGKRZSA-N 229.283 2.139 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CCC[C@H]2N 953091176 XVRVHDJIMVKBLB-ZWNOBZJWSA-N 240.347 2.267 0 40 BEAB O=C(NC1CCCCC1)c1cc(C2CC2)ncn1 1776009054 SKYHVBPGJQPWPJ-UHFFFAOYSA-N 245.326 2.417 0 40 BEAB Cc1ccc2c(c1)C(=O)C1(CCNCC1)C2 2362801554 SCJLHCHLENZMPB-UHFFFAOYSA-N 215.296 2.104 0 40 BEAB Nc1nnc(SC2CCCC2)s1 33459 QAXBGOMSPWZUBE-UHFFFAOYSA-N 201.320 2.155 0 40 BEAB Cn1cc(Cl)nc1[C@@H](O)c1ccccc1 246385 ISCFHACKIFRPJD-JTQLQIEISA-N 222.675 2.155 0 40 BEAB O=S(c1ccc(O)cc1)c1ccc(O)cc1 1577042 RQCACQIALULDSK-UHFFFAOYSA-N 234.276 2.265 0 40 BEAB COc1ccc2c(c1)C(=O)[C@H]1CC(=O)CC[C@@H]21 1630459 FZZWEJOHMLNMPL-JQWIXIFHSA-N 230.263 2.344 0 40 BEAB C[C@H]1Cc2ccc(OCCN(C)C)cc2C1=O 1665461 GHKQNMRCFJRKKK-JTQLQIEISA-N 233.311 2.002 0 40 BEAB c1cc(N2CCCCC2)nc(N2CCCCC2)n1 1677613 OYKMNFGHDIMEPW-UHFFFAOYSA-N 246.358 2.457 0 40 BEAB O=Cc1ccc(O[C@@H]2CCCCO2)cc1 2581189 QYKABQMBXCBINA-GFCCVEGCSA-N 206.241 2.405 0 40 BEAB COc1ccc(C(C)=O)cc1CSC(=N)N 4322387 LWRQPLNATPQSNB-UHFFFAOYSA-N 238.312 2.024 0 40 BEAB O=C(CN1CCCC1)N1CCCc2ccccc21 4546208 ICGXIVBKQSRQSE-UHFFFAOYSA-N 244.338 2.062 0 40 BEAB Cc1nnc2scc(-c3ccccc3)n2c1=O 5723974 WEVUIHPIOVSWPC-UHFFFAOYSA-N 243.291 2.126 0 40 BEAB CCCCCS(=O)(=O)Nc1ccccc1O 5729259 DIYMWLCEVSVXBP-UHFFFAOYSA-N 243.328 2.324 0 40 BEAB CCCCS(=O)(=O)NCC1CCCCC1 13948942 DWYXLPGZXHILGI-UHFFFAOYSA-N 233.377 2.286 0 40 BEAB C=CC(=O)N[C@H](C)CCc1ccccc1 16849645 RGYUTQYBPYGEPW-LLVKDONJSA-N 203.285 2.310 0 40 BEAB Cn1cc(NC(=O)c2ccc3c(c2)CCC3)cn1 25306090 YZZZKNUGOJFVBZ-UHFFFAOYSA-N 241.294 2.161 0 40 BEAB CC[C@@H](C)[C@H]1N=C(O)N(C2CCCCC2)C1=O 28117264 GTKOHXKZTJRLKJ-MWLCHTKSSA-N 238.331 2.490 0 40 BEAB O=C(Nc1nccs1)c1cccc2cn[nH]c12 30710756 HRUMGEKHNWVIRI-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB CC(C)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 31955167 LRGDSHFRRCHVEA-UHFFFAOYSA-N 240.690 2.033 0 40 BEAB CC(C)[C@H](N)[C@@H](O)c1ccc(Cl)cc1 32012874 NFBNILRAYFAGBW-QWRGUYRKSA-N 213.708 2.357 0 40 BEAB FC(F)(F)c1ccc(-c2cn[nH]c2)nc1 32547715 AADYVHMOFPFEOH-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB CCOC(=O)c1nccc2ccccc12 34534882 RHWSDJZSKWUHTG-UHFFFAOYSA-N 201.225 2.412 0 40 BEAB in-vitro CCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 39100139 SQETXAYIDTYNTR-VIFPVBQESA-N 215.293 2.032 0 40 BEAB in-vitro CON(C)C(=O)CCc1c[nH]c2ccccc12 40415026 JOYASYZSAJXRBA-UHFFFAOYSA-N 232.283 2.120 0 40 BEAB CC(C)c1nc(CC(=O)N2CCCC2)cs1 40523191 LUTMZFLENXIUSJ-UHFFFAOYSA-N 238.356 2.431 0 40 BEAB O=C(O)Cc1cccc(OCc2ccccn2)c1 42417268 JREBDOQLTLBUIN-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB in-vitro Cn1ccnc1SCC[C@@H]1CCCCN1 43499436 VMHVLTNPEUYAKM-JTQLQIEISA-N 225.361 2.044 0 40 BEAB CC(C)(C)OC(=O)CC[C@H]1CCCNC1 43586574 KVRUUGQSHWPGOT-SNVBAGLBSA-N 213.321 2.108 0 40 BEAB Fc1nccc2[nH]cc(Br)c12 44700117 KRJYDUOSUUVOOB-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CCOC(=O)[C@](C)(O)c1ccc(Cl)cc1 50975279 XVRYNQCOKCJXPR-LLVKDONJSA-N 228.675 2.111 0 40 BEAB CCOc1ccc(C)cc1[C@@H](O)CCC(=O)O 51599917 ACHRDQMNCWKWKA-NSHDSACASA-N 238.283 2.292 0 40 BEAB CC(C)NC(=O)Cc1cccc(Cl)c1 67899614 HOXGZYJZWZDNRB-UHFFFAOYSA-N 211.692 2.407 0 40 BEAB COCCN1CCC(C(=O)c2ccccc2)CC1 69416524 FTWURQWDDLDGHQ-UHFFFAOYSA-N 247.338 2.228 0 40 BEAB O=C(O)[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 70673226 WXLNQIZTKWWNCC-XCBNKYQSSA-N 228.194 2.127 0 40 BEAB C[C@H]1C[C@H]1NC(=O)c1ccc(OCC2CC2)nc1 72094947 GPFOJYWBQSDTJK-JOYOIKCWSA-N 246.310 2.009 0 40 BEAB Cc1cc(N2CCCCCC2)ncc1CO 72223517 PSHXOZOBXRPLLR-UHFFFAOYSA-N 220.316 2.263 0 40 BEAB c1cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)ccn1 72357395 NHXMHEGDVCVISO-CYBMUJFWSA-N 242.326 2.184 0 40 BEAB CN1C[C@@H](C(=O)O)[C@H](c2ccccc2Cl)C1 75948583 HCJHMZIYDMKGHF-VHSXEESVSA-N 239.702 2.070 0 40 BEAB C[C@@H]1CCC[C@@H](C(=O)OCc2cnn(C)c2)C1 76871831 HSFNQUKCFDYQPY-ZYHUDNBSSA-N 236.315 2.290 0 40 BEAB CCS(=O)(=O)c1ccc(C=O)c2ccccc12 85390959 HTZSBFKISRXXCT-UHFFFAOYSA-N 248.303 2.446 0 40 BEAB O=C(Cc1ccc(F)cc1F)NCC1CC1 87049624 FKIUJDJCYUXPRQ-UHFFFAOYSA-N 225.238 2.034 0 40 BEAB O=C(C1=CCCCO1)N1CC[C@H]2CCCC[C@H]21 89818645 GANXLICJLUNNQW-VXGBXAGGSA-N 235.327 2.472 0 40 BEAB OCc1cc(-c2ccc(F)cc2)ccn1 91696077 SYKZNWBZDTZPIM-UHFFFAOYSA-N 203.216 2.380 0 40 BEAB CN(C)C(=O)c1cnn(-c2ccccc2)c1Cl 95117435 JILUTOZXUSUDGA-UHFFFAOYSA-N 249.701 2.228 0 40 BEAB CSc1ccc(N(C)Cc2ccncc2)nn1 95403054 IVBQPOJLLRMHKN-UHFFFAOYSA-N 246.339 2.230 0 40 BEAB C[C@@H](C[C@@H](O)c1ccco1)NCc1ccncc1 95448827 MGKAQXSFFUXOMM-WCQYABFASA-N 246.310 2.276 0 40 BEAB O=C1NCCn2c1cc1cc(Cl)ccc12 95630702 FEPARWSSWBUKFS-UHFFFAOYSA-N 220.659 2.038 0 40 BEAB COC(=O)c1ccc(C)c2c1NCCC2 95929774 APLLMLPJLQQOHT-UHFFFAOYSA-N 205.257 2.140 0 40 BEAB in-vitro CC(C)Cc1ccc(C(=O)N[C@H](C)C(=O)O)cc1 95955706 WDOXFEXFAKFIOO-SNVBAGLBSA-N 249.310 2.088 0 40 BEAB C[C@H](O)C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 95973276 RORHUVKMKCVVSE-RWMBFGLXSA-N 237.343 2.105 0 40 BEAB CCn1ccnc(Sc2ccoc2C)c1=O 97095857 ZEPBRPSPCWFDEH-UHFFFAOYSA-N 236.296 2.316 0 40 BEAB CCn1nccc1CNc1nnc(C(C)(C)C)o1 97114467 ZWBQSXWVYCMNNC-UHFFFAOYSA-N 249.318 2.196 0 40 BEAB CO[C@H]1CCCCC[C@H]1NC(=O)C(C)(C)C 98018994 MOGVSUMPPDKTOI-MNOVXSKESA-N 227.348 2.496 0 40 BEAB CCN1CC[C@@H](NC[C@@H](C)SC)[C@@H](C)C1 110704347 GLBSBOQHIMFMPB-QJPTWQEYSA-N 230.421 2.058 0 40 BEAB FC(F)(F)C1CCN(C2CCOCC2)CC1 127201409 LRWBTYMSASJWTR-UHFFFAOYSA-N 237.265 2.440 0 40 BEAB Cn1ncc2c(Cl)nc(Cl)cc21 140798947 WLHSISJTMDCKHD-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CC[C@@H]1N[C@H]1CCOCc1ccccc1 169804293 XYJHFZOMTQYRAI-STQMWFEESA-N 205.301 2.344 0 40 BEAB N=C(N)Cc1c(F)ccc(F)c1Cl 228909185 AREJEJOTBMMLOO-UHFFFAOYSA-N 204.607 2.097 0 40 BEAB c1ccc2c(OCC3CC3)ncnc2c1 231219426 AXAWTDBLNOJBLT-UHFFFAOYSA-N 200.241 2.419 0 40 BEAB CCOC(=O)c1cc(C2CC(C)C2)[nH]n1 242574909 NJIJCFJJFUNUDX-UHFFFAOYSA-N 208.261 2.100 0 40 BEAB CCCC[C@H](C)C(=O)N1CCOCC[C@@H]1C 252498975 RRZDFCGNBDERKA-RYUDHWBXSA-N 227.348 2.450 0 40 BEAB Nc1nc2nc([C@H]3CCCCN3)ccc2s1 257198016 QISLSIFHCWIKJL-SSDOTTSWSA-N 234.328 2.088 0 40 BEAB Cc1cnc(C)c(N2C[C@H]3CCC[C@@H]3C2)n1 273826242 FAINGOIDUHVQMU-VXGBXAGGSA-N 217.316 2.330 0 40 BEAB O=C1Cc2c(F)c(F)cc(Br)c2N1 575441099 XXNZSKGJPMBLNW-UHFFFAOYSA-N 248.026 2.222 0 40 BEAB COc1cc2c(c(OC)c1)C(C)(C)NCC2 1535631996 RFKSXLNNJBSFNG-UHFFFAOYSA-N 221.300 2.085 0 40 BEAB C[C@H]1CCCCN1C(=O)c1c(Cl)cnn1C 483355 KBAPCFHMTCXKIQ-QMMMGPOBSA-N 241.722 2.088 0 40 BEAB C[C@H](CNC(=O)NC1CC1)Cc1cccs1 76066645 KZEOFHBRYRVIKH-VIFPVBQESA-N 238.356 2.388 0 40 BEAB C[C@@H](Cc1ccccc1)N1CCCC1=O 1621763 KNTBHAIKDZOOPI-NSHDSACASA-N 203.285 2.240 0 40 BEAB CCOC(=O)Cc1cn(C)c2ccccc12 1644733 OGNCQOCRWWFARG-UHFFFAOYSA-N 217.268 2.284 0 40 BEAB CC[C@@](C)(O)[C@H](C(=O)O)C1CCCCC1 1733963 MUOCGNVVTYEQPL-CMPLNLGQSA-N 214.305 2.429 0 40 BEAB CC(C)(C)NC[C@H]1CO[C@@H](c2ccccc2)O1 3010044 IWFPJSASCSZFCH-QWHCGFSZSA-N 235.327 2.489 0 40 BEAB C[C@H]1CC(O)(c2ccccc2)C[C@@H](C)N1C 4728783 SFCKGVRRVILRML-ONXXMXGDSA-N 219.328 2.377 0 40 BEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)CS1 4893326 BIXRBYVMLQQWKE-SNVBAGLBSA-N 227.716 2.376 0 40 BEAB c1ccc2c3c([nH]c2c1)[C@H](c1nnn[nH]1)CCC3 12360260 YHYKGFZOFABBRE-SNVBAGLBSA-N 239.282 2.149 0 40 BEAB CCN(C)C(=O)Nc1cc(C)cc(C)n1 97143031 JRXBUUNKBHXHHE-UHFFFAOYSA-N 207.277 2.182 0 40 BEAB C[C@H]1CCC[C@@H](CNC(=O)c2cnns2)C1 55487940 PPACRXZTFOLJFZ-DTWKUNHWSA-N 239.344 2.094 0 40 BEAB Nc1ccc(-c2noc(C3CC3)n2)cc1 35696975 BBJTVRIZPWGGCP-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)c(C)c1 12971378 ICNWKIZOJRUILK-KWQFWETISA-N 247.294 2.376 0 40 BEAB Cc1cc(C)cc(C(=O)NC2CCC(O)CC2)c1 12919866 HTDLQPJYOWWWRT-UHFFFAOYSA-N 247.338 2.337 0 40 BEAB Cc1ccc(Nc2cnn(C)c2C(=O)O)c(C)c1 5362708 XHYWKUVBHGBLOA-UHFFFAOYSA-N 245.282 2.479 0 40 BEAB CCC(CC)NC(=O)[C@H]1CNc2ccccc2O1 19423280 XSLBJRMZHBADGW-CYBMUJFWSA-N 248.326 2.164 0 40 BEAB in-vitro CC(C)(C)OC(=O)CCC(=O)OC(C)(C)C 14718430 GOORECODRBZTKF-UHFFFAOYSA-N 230.304 2.450 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2)on1 6738073 DOSQCCRQFRIHGZ-JTQLQIEISA-N 230.267 2.474 0 40 BEAB CC[C@@H]1Oc2cc(Cl)ccc2NC1=O 73634863 AQYUDDHSOMUEDP-QMMMGPOBSA-N 211.648 2.450 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1cccc(F)c1F 95986037 NNLSXCAFNJPZRG-RKDXNWHRSA-N 229.270 2.386 0 40 BEAB COc1ccc(/C=C/c2nccc(=O)[nH]2)cc1F 89457570 XIWDBYUDXOOBJR-HWKANZROSA-N 246.241 2.088 0 40 BEAB Cc1cnccc1NS(=O)(=O)c1ccccc1 75496556 RQMLOMVRIBFEJS-UHFFFAOYSA-N 248.307 2.191 0 40 BEAB Nc1cc2c(cc1Br)C(=O)CC2 38763746 CCOFLYKTUCBGSG-UHFFFAOYSA-N 226.073 2.160 0 40 BEAB CC[C@@H](O)c1cnc(N2CCCC2)cc1C 72223476 ZGXRAFQUUUKFJX-GFCCVEGCSA-N 220.316 2.434 0 40 BEAB CC(C)c1cc(C(=O)N2CCCC2)on1 71093558 CWFSQJHLQILXBP-UHFFFAOYSA-N 208.261 2.034 0 40 BEAB Cc1ccn2c(NCc3cccnc3)nnc2c1 126009168 KIHHFYJHLQYOTM-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB COc1ccc(-c2cc(S)ncn2)cc1 61966097 JFQZQWQTXUGFDY-UHFFFAOYSA-N 218.281 2.441 0 40 BEAB CN1c2ccccc2[C@@H]2C(=O)CCC[C@@H]21 38337179 MOVJGLJCNVYGBE-AAEUAGOBSA-N 201.269 2.342 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccs1 33000384 KWTJHNWOGRMQMV-PSASIEDQSA-N 209.314 2.363 0 40 BEAB Cc1ccc(CC(=O)OC(C)(C)C)c(N)c1 217775876 VWRNULRFKOVJKM-UHFFFAOYSA-N 221.300 2.461 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@@H](CO)O2 31475157 ZBJCYZPANVLBRK-LPWJVIDDSA-N 228.332 2.183 0 40 BEAB endogenous,in-man CCCCS(=O)(=O)c1ccc(C=O)cc1 72209808 WLSGCNUWUXDVBA-UHFFFAOYSA-N 226.297 2.073 0 40 BEAB Cc1cnc(NC(=O)N2CCCC2)s1 43386060 UZGKFUMRNMBOJH-UHFFFAOYSA-N 211.290 2.079 0 40 BEAB Cc1nc(C)c(CC(=O)N2CCCCC2)s1 41179563 ABBJLRJUELSNFZ-UHFFFAOYSA-N 238.356 2.315 0 40 BEAB CCCCNCc1cc(C(C)C)nn1C 256051599 JUJIRIRFSTXLLL-UHFFFAOYSA-N 209.337 2.433 0 40 BEAB CCCNC(=O)N[C@H](C)COc1ccccc1 225775632 XDJHRBUAYJKZAJ-LLVKDONJSA-N 236.315 2.163 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2NCCC[C@@H]21 257962629 DVZCLSHSZDQPBD-GARJFASQSA-N 240.347 2.042 0 40 BEAB CCNc1cn(-c2cccnc2)nc1Cl 168976113 SXUMSCJUXIVSFX-UHFFFAOYSA-N 222.679 2.353 0 40 BEAB Cc1cccc(C)c1NC(=O)Cn1ccnc1 10809222 CIOKYSHWXMIVNE-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB COC(=O)c1cc(O)c2ccccc2c1 39390774 UHBWWQMCPGCLPP-UHFFFAOYSA-N 202.209 2.332 0 40 BEAB in-vitro CN(C)C(=O)Nc1cn(C)c2ccccc12 5265518 KRLSFPYEPGYCCV-UHFFFAOYSA-N 217.272 2.272 0 40 BEAB Cc1ccc(NC(=O)c2ccc(N)nc2)cc1F 50212640 OQDFPVPNPQMYLZ-UHFFFAOYSA-N 245.257 2.364 0 40 BEAB COc1ccccc1CNC(=O)CC(F)(F)F 40490333 SARIFRQGASWSAI-UHFFFAOYSA-N 247.216 2.264 0 40 BEAB CC(C)(C)c1ccc(CNCCO)cc1 20305929 WSBHHYVKQLETKW-UHFFFAOYSA-N 207.317 2.066 0 40 BEAB CCc1ccc([C@@H]2N[C@H](C(=O)O)CS2)s1 205124 BFIUXTYFWMAWJJ-IONNQARKSA-N 243.353 2.099 0 40 BEAB Cc1cnn(-c2cc(-c3cccnc3)ncn2)c1 32565187 AUPGLRXVFCKYIJ-UHFFFAOYSA-N 237.266 2.033 0 40 BEAB CC(C)(C)n1nc(C(=O)O)cc1C1CC1 32625174 FUNQZOVOKMSSEJ-UHFFFAOYSA-N 208.261 2.214 0 40 BEAB in-vitro COc1ccc(C(=O)N2CCCCC2)c(F)c1 32736094 MSEMLJGDVMRUMC-UHFFFAOYSA-N 237.274 2.460 0 40 BEAB CCCCCCC(OC(C)=O)OC(C)=O 1676854 FZWKNDYRQQUQEC-UHFFFAOYSA-N 216.277 2.409 0 40 BEAB O=C(COc1ccccc1)NCc1cccs1 5419092 MQYRDHYHMRJVBO-UHFFFAOYSA-N 247.319 2.443 0 40 BEAB CC(C)CCNC(=O)Cc1ccccc1 5632826 LPPSJAVNASQREJ-UHFFFAOYSA-N 205.301 2.391 0 40 BEAB Cc1nnc(NC(=O)NC2CCCCC2)s1 6219051 RVQNJSBVCMMLLD-UHFFFAOYSA-N 240.332 2.301 0 40 BEAB CC(C)CN1C(=O)NC2(CCCCCC2)C1=O 7005673 MIOAOWNZPDVQSV-UHFFFAOYSA-N 238.331 2.287 0 40 BEAB CCN(Cc1ccccc1)C(=S)NC 16681406 NVZFYNOYQVGENP-UHFFFAOYSA-N 208.330 2.013 0 40 BEAB CC(C)C[C@@H](N)c1nc2ccccc2n1CCO 19734980 HTEFSTNSHIIFFW-LLVKDONJSA-N 247.342 2.075 0 40 BEAB FC(F)(F)CNc1ccc2c(c1)OCO2 20056410 VLRYFHCGVSGKRD-UHFFFAOYSA-N 219.162 2.390 0 40 BEAB CCN(Cc1ccccc1)C[C@H]1CCCN1 20486667 LZWFLHHYCLWAHT-CQSZACIVSA-N 218.344 2.261 0 40 BEAB CCCc1noc(-c2sc(N)nc2C)n1 22121305 IDUMQAVBSCQOLJ-UHFFFAOYSA-N 224.289 2.036 0 40 BEAB O=c1c(NCc2ccccc2)ccc2n1CCC2 26896889 LLUAXVSBORDRTO-UHFFFAOYSA-N 240.306 2.407 0 40 BEAB O=C(Nc1ccc2c(c1)CCO2)c1ccco1 27133777 STHAZNMKCOCWKK-UHFFFAOYSA-N 229.235 2.467 0 40 BEAB C[C@@H](Oc1cccc(-c2cccnc2)c1)C(N)=O 32503319 USQSRMAGHJMQND-SNVBAGLBSA-N 242.278 2.001 0 40 BEAB Cc1cnc(NC(=O)CC[C@H]2CCCO2)s1 32816011 ZVFUQRPGSOWHBE-SECBINFHSA-N 240.328 2.349 0 40 BEAB COC(=O)CNCc1ccc(Cl)c(Cl)c1 35708350 XTYJRUUWOHTPNW-UHFFFAOYSA-N 248.109 2.256 0 40 BEAB COc1ncccc1NCc1ccncc1 37070479 SEYDQBIBKTWRAD-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB Cn1c(-c2cn[nH]c2N)nc2cccc(Cl)c21 37443501 LGJCOHQVFACZLU-UHFFFAOYSA-N 247.689 2.199 0 40 BEAB CC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 37695103 MQZMQRPCNLHVND-KBPBESRZSA-N 249.310 2.327 0 40 BEAB COc1cc([C@@H](C)N)ccc1OCC(F)F 37755432 NZMHQACQVIRVTF-SSDOTTSWSA-N 231.242 2.359 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccoc2)C1 40480555 ZEQJSJVYKOXNKP-UWVGGRQHSA-N 207.273 2.398 0 40 BEAB NC(=O)COC(c1ccccc1)c1ccccc1 45294329 BKWAZKKPULOMIB-UHFFFAOYSA-N 241.290 2.278 0 40 BEAB CCOC(=O)c1cc(Br)ncc1F 47203028 GUFCZLQDLILEFF-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB COC(=O)c1cc(OC)cc(Cl)c1OC 57339989 NDYNOAFXIGKKDG-UHFFFAOYSA-N 230.647 2.144 0 40 BEAB CCO[C@H](CNC)c1c(F)cccc1F 62711596 JBBIAFKKCXPUAK-SNVBAGLBSA-N 215.243 2.262 0 40 BEAB CCc1nc(CCNc2ccc(F)cc2)n[nH]1 62718993 UZDOFDVHSVFMOK-UHFFFAOYSA-N 234.278 2.161 0 40 BEAB Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)on1 71867169 HQMAKPKRSDQYOT-SECBINFHSA-N 234.255 2.409 0 40 BEAB CC[C@H](C)CN(C)C(=O)c1ccc2[nH]nnc2c1 71896642 RTQCZZXCVMGWHE-VIFPVBQESA-N 246.314 2.076 0 40 BEAB CNC(=O)C[C@@H](c1ccccc1)[C@H]1CCCCN1 72208329 GINGSGJMUDUGCH-UONOGXRCSA-N 246.354 2.048 0 40 BEAB CC[C@@H](OC)c1ccc(CC(=O)O)cc1 72220140 DJYWVDRVTBXZMH-LLVKDONJSA-N 208.257 2.411 0 40 BEAB CCCC(=O)NCc1ccc(CN(C)C)cc1 72749284 HKKUZFVLFUWLSH-UHFFFAOYSA-N 234.343 2.165 0 40 BEAB O=C(O)[C@@H]1CCC[C@H]1Nc1ccccc1 83985836 CQPIDJWURGPHPG-GHMZBOCLSA-N 205.257 2.352 0 40 BEAB CCc1csc(-c2ccnc(NN)c2)n1 89263538 DXMKQGIADKITFZ-UHFFFAOYSA-N 220.301 2.053 0 40 BEAB Cc1nc(C)c(C)c(SCCN(C)C)n1 89547969 KFEWSQDIXVIVRM-UHFFFAOYSA-N 225.361 2.056 0 40 BEAB CC(C)CCn1cc([C@H](N)C2CC2)cn1 95093957 AHQVJPVUWDWGQH-GFCCVEGCSA-N 207.321 2.339 0 40 BEAB CC(C)OCCC(=O)Nc1cc(O)cc(F)c1 95448187 BQCLKWHZHOFEDH-UHFFFAOYSA-N 241.262 2.285 0 40 BEAB c1ccc(SC2C[C@@H]3CC[C@H](C2)N3)nc1 95908604 UFXJHNICORLRKM-ZACCUICWSA-N 220.341 2.457 0 40 BEAB Cc1cnn(CCOc2cccc(F)c2)c1 96428973 CADSIDFJORQWPP-UHFFFAOYSA-N 220.247 2.410 0 40 BEAB COc1cccc(CCCN2CCC[C@H](N)C2)c1 96523533 ARZQKFUEFMDIOE-AWEZNQCLSA-N 248.370 2.051 0 40 BEAB CC(=O)NC1(c2nccs2)CCCC1 98010246 CEGFXNDKAOGNBY-UHFFFAOYSA-N 210.302 2.049 0 40 BEAB CO/C=C(\F)C(=O)Nc1ccc(OC)cc1 98175021 APJQUYJVUARAMF-YFHOEESVSA-N 225.219 2.091 0 40 BEAB CCOC(=N)[C@@](F)(CC(C)C)C(=O)OCC 104051907 HCUZPQKRPZPYPJ-NSHDSACASA-N 233.283 2.318 0 40 BEAB CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)O 107843574 DAQWPKILCSFIRY-AWEZNQCLSA-N 243.306 2.397 0 40 BEAB Nc1ccccc1-c1cn2c(n1)CCCC2 113331665 RHVWKGSFISWDQH-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB NC(=O)c1cc(-n2cccc2)ccc1Cl 117116649 KMLXFXZQDFYLSP-UHFFFAOYSA-N 220.659 2.230 0 40 BEAB CC(=O)OCC(=O)c1ccc(Cl)c(C)c1 140395933 YTMNDEVDALBCBE-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB CCn1cnc2c(Br)cncc21 225741931 XOLLASZCBLCOIR-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB C[C@@H]1[C@@H](C)O[C@H]2CCC[C@@H](CC(=O)O)[C@@H]21 225763836 MTYHLPGWADWHSZ-RWHSBRQSSA-N 212.289 2.301 0 40 BEAB CCn1ncc(NCc2ccco2)c1C 256051980 LJRGWGYBMZIONO-UHFFFAOYSA-N 205.261 2.417 0 40 BEAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)C 408677269 AVJKMVXZBQKHGO-LBPRGKRZSA-N 221.300 2.241 0 40 BEAB O=C(c1cncc(F)c1)N1[C@H]2C=CC[C@H]1CC2 585379023 DJYRLLJGXJSTJP-RYUDHWBXSA-N 232.258 2.154 0 40 BEAB O=C(O)[C@H]1C[C@H](NC2CCC3(CC2)CC3)C1 874053702 HNGNOJHNBPTHPX-HOMQSWHASA-N 223.316 2.162 0 40 BEAB CC(C)n1cc(NC(=O)OC(C)(C)C)c(N)n1 1548918940 UJEGTRDOFHWNII-UHFFFAOYSA-N 240.307 2.393 0 40 BEAB CCc1n[nH]c(Cc2c(F)cccc2F)n1 87447436 ZOLOIXCOZAPJJP-UHFFFAOYSA-N 223.226 2.236 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](C)[C@@H]1[C@H]2C 1323062 XECHVXPHGHIOKX-NAWOPXAZSA-N 210.317 2.232 0 40 BEAB CCCCCn1cnc2c(=S)nc(N)[nH]c21 1689447 GKBUGVWFLBNNPA-UHFFFAOYSA-N 237.332 2.261 0 40 BEAB CCCC(=O)[C@H](CCN(C)C)c1ccccn1 2045654 SOSGINVUTGVQHI-GFCCVEGCSA-N 234.343 2.486 0 40 BEAB CC(C)(C)NC(=O)Cc1ccccc1F 41864279 PPGRDYCCSBWMBP-UHFFFAOYSA-N 209.264 2.283 0 40 BEAB CCC(CC)[C@@H](O)[C@@H]1CCCC[C@@H]1O 4582837 PKYNNTVDTHYWOQ-GRYCIOLGSA-N 200.322 2.335 0 40 BEAB COC(=O)CC[C@]1(C)[C@@H]2CC[C@]1(C)C(=O)C2 103612154 UNJPZBCQPIYUEJ-OASPWFOLSA-N 224.300 2.335 0 40 BEAB Cc1ccccc1[C@@H](C)NC(=O)CCC(=O)O 35135316 GQYGFPDYRDSRAW-SNVBAGLBSA-N 235.283 2.037 0 40 BEAB Fc1cccc(CSC2=NCCN2)c1 26422857 YDGKCKTYALLQAH-UHFFFAOYSA-N 210.277 2.018 0 40 BEAB Cc1cc(C(=O)O)oc1Br 108271922 MNFDVTIXQPJBOH-UHFFFAOYSA-N 205.007 2.049 0 40 BEAB Cc1noc(-c2cncc(Br)c2)n1 61957943 HJKGVCYLZLWOGD-UHFFFAOYSA-N 240.060 2.203 0 40 BEAB in-vitro CCOC(=O)/C=C/c1ccc2c(c1)OCCO2 58536571 IQYKHFGYZURTTK-GQCTYLIASA-N 234.251 2.034 0 40 BEAB CC1(C)N(O)C(c2ccccc2)=[N+]([O-])C1(C)C 2527977 MOKUQZKKYGQOCZ-UHFFFAOYSA-N 234.299 2.206 0 40 BEAB in-vitro CC(C)CCNS(=O)(=O)c1cccs1 3353395 NOEXIRUDKNVCLV-UHFFFAOYSA-N 233.358 2.073 0 40 BEAB Nc1cnccc1C(=O)Nc1ccccc1F 22073287 VCBFUFJFXKQHKJ-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCNC(=O)c1sc(C(C)(C)C)nc1C 65563405 FSVUPGAEIHIQSX-UHFFFAOYSA-N 226.345 2.499 0 40 BEAB CCOc1ccc(O[C@@H]2CCCNC2)cc1 14631734 UBWCRUNRNUSIMK-CYBMUJFWSA-N 221.300 2.216 0 40 BEAB COc1ccc(C2CCNCC2)c(C)c1 14629041 SCQNWDBELJSXBE-UHFFFAOYSA-N 205.301 2.471 0 40 BEAB in-vitro CC(C)c1ccc(-n2nnnc2S)cc1 6887919 GLESZQGPJXOSSI-UHFFFAOYSA-N 220.301 2.074 0 40 BEAB in-vitro c1ccc([C@H]2CCCN2c2ncccn2)nc1 67447791 XBGRUEGKQDPZEO-GFCCVEGCSA-N 226.283 2.213 0 40 BEAB COc1ccc(NC(=O)/C=C/c2ccco2)cn1 15947878 MOJCAEZDVJTTAW-AATRIKPKSA-N 244.250 2.335 0 40 BEAB NC[C@@H](c1c[nH]c2ccccc12)N1CCCC1 19779372 HDFMTMKGSKNKOH-AWEZNQCLSA-N 229.327 2.264 0 40 BEAB COC(=O)CCNCCC1=CCCCC1 19736911 JIVRYFDPYHNYCT-UHFFFAOYSA-N 211.305 2.030 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cncc(Cl)n1 72344255 ZPPLJNZKJNTQBJ-SNVBAGLBSA-N 239.706 2.204 0 40 BEAB Cc1cccc2c(N3CCCO3)ncnc12 96502640 DAACHCUSTUGKJI-UHFFFAOYSA-N 215.256 2.080 0 40 BEAB NC(=S)Nc1ncc(Cl)cc1Cl 98073389 RRWWUBPSZSTRRC-UHFFFAOYSA-N 222.100 2.044 0 40 BEAB Cc1nc2ccccc2nc1COC(=O)C1CC1 95946768 PJLPJESWVUMESH-UHFFFAOYSA-N 242.278 2.391 0 40 BEAB O=C(c1ccccn1)N1C[C@H]2CCCC[C@H]2C1 89878917 PWPVVAVHNDUVIK-TXEJJXNPSA-N 230.311 2.344 0 40 BEAB COc1ccc2ccccc2c1[C@H](CN)N(C)C 37290090 AHHQXKZTEKRYQB-ZDUSSCGKSA-N 244.338 2.410 0 40 BEAB CC(=O)N1CCC[C@H](c2ccc(C)cn2)C1 72381444 VFGAFQRKMYGPEE-LBPRGKRZSA-N 218.300 2.116 0 40 BEAB CCC[C@H](O)[C@@]1(C)CC[C@@H](C(=O)O)C(C)(C)O1 13404616 XRVXEMNLTYHFFR-OUJBWJOFSA-N 244.331 2.196 0 40 BEAB biogenic CC(C)NC(=O)c1cc(N)ccc1N1CCCC1 35703589 GEJQZUKDIRFXKZ-UHFFFAOYSA-N 247.342 2.007 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 82321213 HRTXGVAWGLKWRN-LBPRGKRZSA-N 232.327 2.275 0 40 BEAB C[C@@H](C(N)=O)c1ccc(Br)cc1 83409198 ZWRSIOSZQWOKPB-ZCFIWIBFSA-N 228.089 2.038 0 40 BEAB C[C@H]1CC[C@H](C)N1C(=O)C1=CCCCO1 89922736 ZKZGUBTZAXCIJO-UWVGGRQHSA-N 209.289 2.080 0 40 BEAB CCC[C@@H](C)NC(=S)Nc1nccc(C)n1 225174962 VDLKZYXQBONKAG-MRVPVSSYSA-N 238.360 2.260 0 40 BEAB CC(C)COC(=O)Nc1ccc(CO)cc1 82878908 UYTGOCPSRSQSSQ-UHFFFAOYSA-N 223.272 2.383 0 40 BEAB CC[C@@H](C(=O)O)n1cc(C)c(C(F)(F)F)n1 238853982 LYWMJBRAHAKOSJ-LURJTMIESA-N 236.193 2.246 0 40 BEAB CCOC(=O)c1c(C)nc(Cl)nc1Cl 143752503 NBLFZEOAMBXUEI-UHFFFAOYSA-N 235.070 2.269 0 40 BEAB C[C@H]1CN2CCC[C@H]2CN1Cc1cccs1 72324424 AUFZOEMMLVUAKW-RYUDHWBXSA-N 236.384 2.417 0 40 BEAB N[C@H]1C[C@@H](C(F)(F)F)CC(F)(F)C1 953073415 KKZPAIYUFASXBV-UHNVWZDZSA-N 203.154 2.311 0 40 BEAB Cc1ccsc1[C@H](C)NC[C@@H](C)[S@](C)=O 90843217 FIGOVBXDXXRXPL-HFBDOXOYSA-N 245.413 2.474 0 40 BEAB C[S@@](=N)(=O)c1cccc2cccnc12 521399516 VKPOJWXMDDJWHR-CQSZACIVSA-N 206.270 2.270 0 40 BEAB C[C@H]1NC(N2CCCC2)=Nc2ccccc21 5722421 OVUCRTJZBVDRRC-SNVBAGLBSA-N 215.300 2.434 0 40 BEAB CC(=O)Nc1ccccc1C(=O)NC(C)(C)C 5378574 RBKKUUZGVQNUQE-UHFFFAOYSA-N 234.299 2.173 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)C(F)(F)F 13284826 DEBMOHFVGJVHLV-UHFFFAOYSA-N 229.161 2.064 0 40 BEAB COc1ncccc1CNC(=O)c1cccs1 31319666 WJVSGJQDNNNZNQ-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CNC2 105641739 COJNHDCEWDUHMX-GWCFXTLKSA-N 240.347 2.043 0 40 BEAB NNc1ccc(OC(F)(F)Cl)cc1 36449 CEFKZHDTKDZZPY-UHFFFAOYSA-N 208.595 2.140 0 40 BEAB CCCOc1ccc2c(c1)OCC(C(=O)O)=C2 20284738 OJFOAOYCGCZPRE-UHFFFAOYSA-N 234.251 2.336 0 40 BEAB CC(C)CNC(=O)COc1ccc(Cl)cc1 296440 JAHMRCCGQWURSB-UHFFFAOYSA-N 241.718 2.491 0 40 BEAB C[n+]1ccccc1COc1ccccc1 387348 ROBMZHNBDVPEDB-UHFFFAOYSA-N 200.261 2.090 0 40 BEAB Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cn1 32787758 IDDFUWPPEVJXIQ-GWCFXTLKSA-N 247.342 2.436 0 40 BEAB Cc1ccc(NC(=O)CSC(N)=O)cc1C 34131 ANOGWOBXOCFAEU-UHFFFAOYSA-N 238.312 2.054 0 40 BEAB Nn1nc(-c2ccccc2)nc1-c1ccccc1 36454 YSJGEOFZICPMOC-UHFFFAOYSA-N 236.278 2.326 0 40 BEAB O=C1C(Cl)=C(Cl)C(=O)N1C1CCCCC1 140776 FPZYIQNQKGJNMD-UHFFFAOYSA-N 248.109 2.377 0 40 BEAB O=CNc1cc(Cl)c(NC=O)c(Cl)c1 1682182 SOZUUUSZOVMMKP-UHFFFAOYSA-N 233.054 2.130 0 40 BEAB CC(C)(C)C(=O)NC(=S)Nc1nccs1 3179547 LAEMNVPXNSZZPC-UHFFFAOYSA-N 243.357 2.002 0 40 BEAB CC(C)(C)C(=O)COC(=O)/C=C/c1ccco1 3237666 UVSIGLCTDPGEKF-VOTSOKGWSA-N 236.267 2.451 0 40 BEAB CCCS(=O)(=O)Nc1ccc(CC)cc1 3357956 AWIVTLXRSBTABY-UHFFFAOYSA-N 227.329 2.401 0 40 BEAB CN(C)CCNC(=O)c1ccc(C(C)(C)C)cc1 4784999 HWMBRLQFQMIRCR-UHFFFAOYSA-N 248.370 2.276 0 40 BEAB CC(=O)c1cccc(NC(=S)NC2CC2)c1 8684926 RZZLGFMZMXMPRA-UHFFFAOYSA-N 234.324 2.338 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccnc2)C1 16970275 DFJFIOBLLXANPJ-PHIMTYICSA-N 218.300 2.200 0 40 BEAB O=C1CCN(c2cc(F)cc(F)c2)CC1 19438830 RXGKQKODAZWZOK-UHFFFAOYSA-N 211.211 2.134 0 40 BEAB in-vitro Brc1ccc([C@H]2CNCCO2)cc1 20269164 IWMSBXAXPYFDAE-SNVBAGLBSA-N 242.116 2.110 0 40 BEAB CN(C)/C=C/S(=O)(=O)c1ccc(Cl)cc1 20365772 QIXNVFMRFLPIDU-BQYQJAHWSA-N 245.731 2.147 0 40 BEAB Cc1ccc(CCC(=O)Nc2nncs2)cc1 21215629 YCBYBMAPNNXEJF-UHFFFAOYSA-N 247.323 2.418 0 40 BEAB CCOC(=O)c1onc(-c2ccccc2)c1N 21779084 SVHQVBAGDFDLLV-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCn2c1nc1ccccc12 29375696 XDFJQIKRBQTLIQ-VHSXEESVSA-N 241.294 2.039 0 40 BEAB Cc1nc(C)c(C(=O)NCc2ccccn2)s1 29517197 HJPVYOYXMFSFPJ-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccco1 32008060 RSZAUJYHDAFSQT-NSHDSACASA-N 243.262 2.013 0 40 BEAB C[C@H](c1ccccc1)N(C)C(=O)c1cnccn1 32721753 FMTNDULSDHPHLM-LLVKDONJSA-N 241.294 2.310 0 40 BEAB CC1CCC(NC(=O)C2CCOCC2)CC1 32731309 QREYADNNSXWWAQ-UHFFFAOYSA-N 225.332 2.108 0 40 BEAB COc1ccc([C@@H](N)C(F)(F)F)cc1F 35424469 XXLGVMVNOAINFF-MRVPVSSYSA-N 223.169 2.396 0 40 BEAB Cc1nc2ccccc2n1[C@H]1CCCNC1 35570805 DUKNGBYLXZMJCK-NSHDSACASA-N 215.300 2.269 0 40 BEAB N[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1 36949521 UAGDEFASIGENRD-CABCVRRESA-N 227.307 2.290 0 40 BEAB in-vitro C[C@H](C(=O)O)c1cn(C)c2ccccc12 39118023 BWJKELIYCFNOEB-QMMMGPOBSA-N 203.241 2.366 0 40 BEAB in-vitro CCC(=O)N1CCC[C@@H]1c1cccn1C 40473072 DZPCKDYNQGWKCN-LLVKDONJSA-N 206.289 2.099 0 40 BEAB O=C(CCc1ccsc1)Nc1c[nH]ccc1=O 40527849 IRTGBZYJMOZVGP-UHFFFAOYSA-N 248.307 2.008 0 40 BEAB CC[C@@H](O)c1cc(OC)c(OC)c(OC)c1 40975087 FLYMDKWKEGXJLA-SECBINFHSA-N 226.272 2.156 0 40 BEAB biogenic,in-vitro COc1ccc(-c2cccnc2C(=O)O)cc1 41250973 RTNIAQCMLRYGIW-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CC(C)c1ccc([C@@H](CC(=O)O)C(=O)O)cc1 41268943 RKVKEZGFRSYYFO-LLVKDONJSA-N 236.267 2.453 0 40 BEAB O=C1N=C(Cc2c[nH]c3ccccc23)CO1 44563897 ANGOSUWCXGJJEK-UHFFFAOYSA-N 214.224 2.302 0 40 BEAB CC[C@@H](C)NC(=O)Cc1ccccc1C 44715384 WQCGCGYJHOVMKE-LLVKDONJSA-N 205.301 2.452 0 40 BEAB CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 48368202 ZAWZAZYKSWXFAS-CYBMUJFWSA-N 223.291 2.437 0 40 BEAB Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)o1 48603452 UNZNFBNEWJIFGH-UHFFFAOYSA-N 226.235 2.492 0 40 BEAB CCCN1CCN(CCOc2ccccc2)CC1 58887637 OJVFUXWBNYDQRV-UHFFFAOYSA-N 248.370 2.093 0 40 BEAB CNc1ccc([C@@H]2CCCCN2C(C)=O)cn1 72212511 XINVUMHYQFOQNS-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CN(C)c1ncccc1[C@H]1CCCCN1C 72212670 QZVOSAPZSKKLHT-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB Cc1cccc(CN2C[C@H]3CCCN3C[C@H]2C)n1 72397541 SAMMNJWOFUJVTN-UKRRQHHQSA-N 245.370 2.059 0 40 BEAB CCOC(=O)C(=O)c1cccc(C(F)F)c1 95634655 LIZFREJDHVKADH-UHFFFAOYSA-N 228.194 2.370 0 40 BEAB CCCCOc1cc(CCO)ccc1OC 95732088 ASTAILXEHIJCJF-UHFFFAOYSA-N 224.300 2.409 0 40 BEAB O=C(/C=C/c1nc2ccccc2o1)N1CCC1 95955951 LBSRDTPJBLNYGV-VOTSOKGWSA-N 228.251 2.073 0 40 BEAB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C 95959985 PDPKVLUVLMHLGQ-OUAUKWLOSA-N 213.321 2.058 0 40 BEAB CCN1CCCC[C@H]1CNc1nc(C)ns1 96456208 GRKFAKGZXCQDDA-JTQLQIEISA-N 240.376 2.133 0 40 BEAB CC[C@H](O)CN[C@@H](C)c1cc(C)ccc1OC 96490814 LRLAEVJOQRHNKF-RYUDHWBXSA-N 237.343 2.425 0 40 BEAB O=C(O)[C@@H]1Cc2cccc(Br)c2C1 96988542 SVJMSROPAWUXIJ-SSDOTTSWSA-N 241.084 2.249 0 40 BEAB CC(C)CC[C@H](C)N[C@H](C)[C@@H](C)CO 97017045 WMTNWOOXUHGQMV-SDDRHHMPSA-N 201.354 2.418 0 40 BEAB CCS(=O)(=O)c1cccc(NC2CCC2)c1 97084898 UCPGJYUSSPPXQC-UHFFFAOYSA-N 239.340 2.445 0 40 BEAB CC(C)Cn1cnc(C(=O)OC(C)(C)C)c1 97673663 XFKPXSIFTWZYQZ-UHFFFAOYSA-N 224.304 2.494 0 40 BEAB Cc1ccc2c(c1)C(=O)CC1(CCN(C)CC1)O2 165214798 RVXAXAGUXAVPPN-UHFFFAOYSA-N 245.322 2.425 0 40 BEAB CCC[C@H](C)N1CCC(Cn2cncn2)CC1 192832867 WOSCKSBKCRPALI-LBPRGKRZSA-N 236.363 2.179 0 40 BEAB Cc1cccc(OCc2cccnc2)n1 193707576 MYOUWGYIKRPCPT-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB N[C@@H]1CCCC[C@H]1NCCc1cccs1 218857436 GTUUAWHXFFOHNE-VXGBXAGGSA-N 224.373 2.150 0 40 BEAB Cc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 219674265 JIDRSRYRCNYOIG-KCQAQPDRSA-N 248.370 2.104 0 40 BEAB CCc1ccc(CN2CCC[C@H]([C@H](C)O)C2)o1 252584672 CCDWWHCZIYLKSA-RYUDHWBXSA-N 237.343 2.435 0 40 BEAB Cc1cnn(C)c1CNc1cnn(C(C)C)c1 256053050 PTYWTHCHWWZNRI-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Brc1cncc2ncsc12 306586027 KVIWWNXSTHMZKC-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB Cc1cccc(COc2nccs2)n1 585652070 VERCBXQFZAZLCV-UHFFFAOYSA-N 206.270 2.426 0 40 BEAB c1ccc2sc(O[C@@H]3CCOC3)nc2c1 585655192 WJBVIEBXLMJGSW-MRVPVSSYSA-N 221.281 2.464 0 40 BEAB Cc1nn(C[C@@H](C)C2CCCCC2)c(=O)o1 657279762 TUOBVYCXWSTNEI-SECBINFHSA-N 224.304 2.361 0 40 BEAB O=S1(=O)C=Cc2cc(C(F)(F)F)ccc21 1690168220 NDALTMJQJQBWEN-UHFFFAOYSA-N 234.198 2.463 0 40 BEAB Cc1cnc(NC(=O)c2ncnc(C)c2C)s1 1888844040 RVHFFVHFUQPAHW-UHFFFAOYSA-N 248.311 2.111 0 40 BEAB C[C@]1(C(=O)O)OCc2ccccc2-n2cccc21 97921 JWGZFUYHMUSJDY-AWEZNQCLSA-N 243.262 2.307 0 40 BEAB O=Cc1sccc1I 334394 PRIIWJLXEOFRPP-UHFFFAOYSA-N 238.049 2.165 0 40 BEAB CCOc1ccc(Nc2nnns2)cc1 515494 TYCARLVXLWCDHO-UHFFFAOYSA-N 222.273 2.075 0 40 BEAB CCOC(=O)[C@@H](CC)C(=O)c1ccccc1 1558883 NZRZNJONGRRTNF-NSHDSACASA-N 220.268 2.459 0 40 BEAB in-vitro CCCC[C@H](CC)[C@@H]1N[C@H](C(=O)O)CS1 1567147 ZKYLUEMFTTZGJI-LPEHRKFASA-N 231.361 2.319 0 40 BEAB CCc1c(N)nc(N)nc1Nc1ccccc1C 1689171 CXTYFMLTUFXZNG-UHFFFAOYSA-N 243.314 2.255 0 40 BEAB O=C1CCSC(=S)N1c1ccccc1 1737380 PUTBBUMKBNAWMI-UHFFFAOYSA-N 223.322 2.441 0 40 BEAB Cc1ccc(CN2CCC[C@H]2C(=O)O)cc1 3747890 RGIZTSOFIVJUAO-LBPRGKRZSA-N 219.284 2.044 0 40 BEAB biogenic CN(C)CC(=O)Nc1ccccc1C(F)(F)F 5319028 BTHVQUROWYLBAH-UHFFFAOYSA-N 246.232 2.206 0 40 BEAB O=c1cc(NC[C@@H]2CCCO2)c2ccccc2o1 9053324 YYOPVRZWMGSFGG-JTQLQIEISA-N 245.278 2.384 0 40 BEAB CC(C)CC(=O)c1c(O)cc(O)cc1O 13545758 VSDWHZGJGWMIRN-UHFFFAOYSA-N 210.229 2.032 0 40 BEAB endogenous,in-man S=C(NCc1ccc(Cl)cc1)NC1CC1 13814358 ZISXICXBCVLUQM-UHFFFAOYSA-N 240.759 2.467 0 40 BEAB CC[C@@H]1CNCCN1C(=O)OCc1ccccc1 15022042 VIUQBJBRYSNMKS-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB N[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1 19273127 IOIVLHZNPOACPZ-VXGBXAGGSA-N 209.264 2.474 0 40 BEAB CCc1noc(-c2ccc(Cl)nc2)n1 22120372 HTCSDTOYSOQTKB-UHFFFAOYSA-N 209.636 2.347 0 40 BEAB Cc1cc(N)c(N2CCOCC2)c(Cl)c1 22122008 CJACYODMFNGUGZ-UHFFFAOYSA-N 226.707 2.067 0 40 BEAB C[C@@H]1CCCCN1CCC1CCNCC1 26513927 KLTZAMHUSRKUGQ-GFCCVEGCSA-N 210.365 2.251 0 40 BEAB in-vitro COC(=O)CSc1ccc2c(c1)CCC2 36923171 MOSZDEKPHNAXHW-UHFFFAOYSA-N 222.309 2.440 0 40 BEAB CCCN(CC(=O)OCC)C(=O)OC(C)(C)C 38020554 ZHMZNAUJXAAWLV-UHFFFAOYSA-N 245.319 2.197 0 40 BEAB COc1ccc(CC(=O)O)c(C(F)(F)F)c1 38529807 ZAOJHEOIUQVOEU-UHFFFAOYSA-N 234.173 2.341 0 40 BEAB Cc1cc(CNCc2ccccc2F)no1 44295991 SHTWTEYMWMOSGS-UHFFFAOYSA-N 220.247 2.412 0 40 BEAB CC(C)(Oc1ccc2c(c1)CCCC2=O)C(=O)O 44747027 REFIHKNRUBIIKC-UHFFFAOYSA-N 248.278 2.448 0 40 BEAB in-vitro COc1ccc(NC(=O)N2CCCC[C@@H]2C)cn1 48019336 RMJMBEPYHLJQHW-JTQLQIEISA-N 249.314 2.497 0 40 BEAB CCO[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 49023681 BRIXHJFDJOSQOP-GFCCVEGCSA-N 249.314 2.114 0 40 BEAB COc1ccccc1CC1(C(=O)O)CC1 49813385 RNBBYIZINBJPJZ-UHFFFAOYSA-N 206.241 2.103 0 40 BEAB C[C@H](Nc1cnc2ccccc2n1)C(C)(C)O 65516060 RLMIBRXLRZXZMS-VIFPVBQESA-N 231.299 2.201 0 40 BEAB CC(C)Cn1cc(Br)ccc1=O 71514975 SQDQBAKDHXGDKG-UHFFFAOYSA-N 230.105 2.267 0 40 BEAB CCOC(=O)c1[nH]c2ccccc2c1F 71617208 JFQGDSICMDTBII-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB OCC1CCN(Cc2cnc(Cl)s2)CC1 72203705 QKPWKPPCODVOJF-UHFFFAOYSA-N 246.763 2.001 0 40 BEAB CCN1CCCC[C@H]1c1cccnc1N 72212433 DWEHNGWAWWDYMG-NSHDSACASA-N 205.305 2.211 0 40 BEAB O=C(O)[C@@H]1CCn2cc(-c3ccccc3)nc2C1 75923257 WLXSJSDOQVYTFB-LLVKDONJSA-N 242.278 2.197 0 40 BEAB Cc1cc(-c2nc(-c3ccccn3)no2)no1 78773840 OCJLXIAPRNLYGM-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CCOc1ccc2[nH]c(C)c(CN)c2c1 82593108 DVMBEKWDLCMSCA-UHFFFAOYSA-N 204.273 2.334 0 40 BEAB Cc1ccc2oc(C(=O)c3cnn(C)c3)cc2n1 86507388 PQIXWGSFCOTMSS-UHFFFAOYSA-N 241.250 2.101 0 40 BEAB Nc1nn(-c2ccc(Cl)cc2)nc1Cl 89262261 RUPZQXQBOPPQAN-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB CC(C)N1CCN(c2nccs2)[C@@H](C)C1 95373379 QVXAZZUAOAXEOS-JTQLQIEISA-N 225.361 2.062 0 40 BEAB CCN(C)C(=O)Nc1cc(F)c(OC)cc1F 95412346 YTZOAPILBUBREG-UHFFFAOYSA-N 244.241 2.457 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1c(F)cccc1OC 95985417 SFMDTOMLNWCFDU-NXEZZACHSA-N 241.306 2.256 0 40 BEAB CC[C@H](NC(=O)/C=C/c1cnccn1)C(C)C 96999305 MASNNQNAYXUYOP-FYJFLYSWSA-N 233.315 2.041 0 40 BEAB COC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F 169795724 TZWDABFESIWKEO-GSVOUGTGSA-N 240.099 2.305 0 40 BEAB Cc1cnc(C)c(NCCc2ccncc2C)n1 195563952 YMEXFXWSARXJJP-UHFFFAOYSA-N 242.326 2.451 0 40 BEAB Cn1nc2cc(Br)cc(O)c2c1F 616568840 GACUKTKFWAWYFX-UHFFFAOYSA-N 245.051 2.181 0 40 BEAB CCCCOCCOCC(F)(F)F 1083806289 DPNJTZMNDCSQQA-UHFFFAOYSA-N 200.200 2.382 0 40 BEAB CC(C)(C)OC(=O)[C@H]1CC[C@H](CO)CC1 1537956330 SBIFXCKFDSDRDL-MGCOHNPYSA-N 214.305 2.127 0 40 BEAB CC1=CC(C)(C)N2C(=O)[C@H](O)c3cc(F)cc1c32 2033970188 XQBHEAUGSABEMP-GFCCVEGCSA-N 247.269 2.401 0 40 BEAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1C2 290476 HFOFBRTWHXZMTL-HOSYDEDBSA-N 216.284 2.456 0 40 BEAB CN(C)CCOC(=O)c1cc2ccccc2o1 375730 SNPIYYBRBKETNK-UHFFFAOYSA-N 233.267 2.151 0 40 BEAB CCCC(=O)Nc1cc(C)c(NC(=O)CC)cn1 1358303 ACMPNRJJXQMERL-UHFFFAOYSA-N 249.314 2.477 0 40 BEAB CCOC[C@@H]1CO[C@H](c2ccccc2)O1 1676079 FQZXEIINCWCJOF-NEPJUHHUSA-N 208.257 2.137 0 40 BEAB CCOC(=O)c1cccc(Cl)c1C(=O)O 1691206 DCJZOMQIXIAPDI-UHFFFAOYSA-N 228.631 2.215 0 40 BEAB CC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 1717760 OTICEGQZKVSVIB-CQSZACIVSA-N 233.311 2.214 0 40 BEAB Cn1cc(CNc2ccc(F)cc2F)cn1 2536139 WZTVIZNPMNDPCS-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CSc1nc(Cl)c2[nH]c(SC)nc2n1 4429586 RAJBHQGAQVYCST-UHFFFAOYSA-N 246.748 2.450 0 40 BEAB CCCCCC[C@H](C)NC(=O)N1CCOCC1 5860402 KJYSFADEIWGLMV-LBPRGKRZSA-N 242.363 2.387 0 40 BEAB CC1=NNC(=O)O[C@]1(C)Cc1ccccc1 6668610 UOXCSMYSSVNXJD-GFCCVEGCSA-N 218.256 2.104 0 40 BEAB Cn1c(C(=O)O)c(C=O)c2ccc(Cl)cc21 8416996 VCZKFWHYLAKYCT-UHFFFAOYSA-N 237.642 2.342 0 40 BEAB CCc1cc(=O)n2ncc(-c3ccccc3)c2[nH]1 9136325 QQANCZCESMBXKA-UHFFFAOYSA-N 239.278 2.252 0 40 BEAB CC(C)CNC(=O)c1cnn(-c2ccccc2)c1 12915894 SDUPLNOOKUSBNE-UHFFFAOYSA-N 243.310 2.258 0 40 BEAB CC[C@@H](C)NC(=O)c1cccc2cn[nH]c12 12977843 NVQJKISEJRYCJK-MRVPVSSYSA-N 217.272 2.091 0 40 BEAB Cn1cccc1C(=O)NC1CCCCC1 13001051 QBZZJFKMPDVOFN-UHFFFAOYSA-N 206.289 2.088 0 40 BEAB CCNC(=S)NCCCc1ccccc1 13817423 MEJPOJOITOEPEN-UHFFFAOYSA-N 222.357 2.103 0 40 BEAB Cc1ccc(CN2CCC[C@H](C(=O)O)C2)cc1 16941772 BHBYJGVZNPIAMY-ZDUSSCGKSA-N 233.311 2.292 0 40 BEAB COc1ccc(CCCCO)cc1OC 19728715 HGTHHDQDYLRWAH-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB O=C(NC1CC1)N1CCCc2ccccc21 36178995 MCUCXBUBAABVMM-UHFFFAOYSA-N 216.284 2.311 0 40 BEAB Cc1cccc(C)c1NC(=O)CNC(C)C 37385992 OAFINNSXFADGEF-UHFFFAOYSA-N 220.316 2.240 0 40 BEAB in-vitro Cc1nc2ccccc2n1C[C@@H]1CCCCN1 43494153 XXIKFPWBJCKTQX-LBPRGKRZSA-N 229.327 2.487 0 40 BEAB COC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 43808011 HUSNZWYHFRIZPG-WCBMZHEXSA-N 205.257 2.147 0 40 BEAB CCNC(=O)Nc1cccc(NC(=O)C2CC2)c1 44101371 YONUBWFRDCKQJO-UHFFFAOYSA-N 247.298 2.177 0 40 BEAB Cc1ccc(F)c(C(=O)N2CCCC2)c1 53001612 GIDATKWZUIHKOR-UHFFFAOYSA-N 207.248 2.370 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)C2CCOCC2)o1 58307968 LSORNTDNKSDCAB-SNVBAGLBSA-N 237.299 2.192 0 40 BEAB CC[C@H](Cc1cc(OC)cc(OC)c1)C(=O)O 62711273 YLBGWOWOGFNMKB-SNVBAGLBSA-N 238.283 2.357 0 40 BEAB CC(C)Nc1ncc(CNC(C)(C)C)cn1 62717597 VWKCKSOTHJYFFW-UHFFFAOYSA-N 222.336 2.185 0 40 BEAB CCOc1ccc(N)cc1-c1cnn(C)c1 72209888 VCSPYRUQVIFPRR-UHFFFAOYSA-N 217.272 2.068 0 40 BEAB Cc1cc([C@H]2CCCCN2C=O)cnc1N(C)C 72218653 BAZFTLGFIMVDQY-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB CC(C)(C)OC(=O)[C@@](C)(F)Br 72265754 ALFMZDRSSWPMRR-SSDOTTSWSA-N 227.073 2.409 0 40 BEAB C[C@@H](c1ccc(F)cc1)N(CCN)C1CC1 79421285 HYZGUTPQKMUOHQ-JTQLQIEISA-N 222.307 2.310 0 40 BEAB Cc1cnc(N2C[C@@H](C)C[C@@H](C)C2)c(N)c1 85425123 KVKOJSQHWRZHQZ-PHIMTYICSA-N 219.332 2.455 0 40 BEAB Nc1cc(C(F)(F)F)cc2[nH]ncc12 89196501 IHQAYTCBMNCOKS-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB in-vitro NCc1ccc(OC(F)(F)F)cc1F 91252308 AXIVBJQCDRXELS-UHFFFAOYSA-N 209.142 2.183 0 40 BEAB O=Cc1cccc(CN2CCSCC2)c1 95728625 ZFIRBKPGMZDOEF-UHFFFAOYSA-N 221.325 2.048 0 40 BEAB CC(=O)Nc1cc(C)c(N(C)C)c(C)c1 96319137 DTEMKEXOYAAYRC-UHFFFAOYSA-N 206.289 2.328 0 40 BEAB N=C(N)Nc1nc2cc(C(F)(F)F)ccc2o1 96327256 YYXKYGZSUOETOF-UHFFFAOYSA-N 244.176 2.152 0 40 BEAB CCCN(CCC)C[C@H](N)CCSC 96523857 TYTUMLNFFLQEHS-LLVKDONJSA-N 218.410 2.189 0 40 BEAB COCCC(C)(C)C(=O)N1CCC(C)(C)C1 97115636 IYFCNOFOJXGAIA-UHFFFAOYSA-N 227.348 2.308 0 40 BEAB O=C(c1cscn1)N1C[C@@H]2CC=CC[C@H]2C1 98013199 HIDRUNSKDSZYJB-UWVGGRQHSA-N 234.324 2.181 0 40 BEAB CO/C=C(\F)C(=O)Nc1ccc(F)cc1 98175029 GVIRICKNXCVLSN-TWGQIWQCSA-N 213.183 2.222 0 40 BEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@@H]1c1ccccc1 105105117 PYLHKIJKHJTIMN-SNPRPXQTSA-N 246.306 2.089 0 40 BEAB CC(C)=CCN1CCOC[C@@H]1c1cccn1C 131641796 QFSICWOUCRZDFM-CQSZACIVSA-N 234.343 2.365 0 40 BEAB CCOC(=O)c1sc(C)nc1OC(C)C 145753893 PRLHCRJPXUQUFD-UHFFFAOYSA-N 229.301 2.415 0 40 BEAB COc1cc(CNc2nnc(C)o2)ccc1C 195002831 DBZIVTBIBLZGDU-UHFFFAOYSA-N 233.271 2.307 0 40 BEAB C[C@@H]1CC=C(B(O)OC(C)(C)C(C)(C)O)CC1 204080088 UTMJSBDUKFVDAE-SNVBAGLBSA-N 240.152 2.319 0 40 BEAB CN1C[C@H](c2cccc3ccccc23)[C@@H](N)C1 225606817 ZFXMGGNUDJFQJW-CABCVRRESA-N 226.323 2.196 0 40 BEAB CCCn1cc(CNCc2ccco2)c(C)n1 256049865 BUDVEODFIJSXAP-UHFFFAOYSA-N 233.315 2.484 0 40 BEAB Cc1nc2c(c(OCC(F)(F)F)n1)CCC2 585652525 PEVMBNJOPFOMAE-UHFFFAOYSA-N 232.205 2.215 0 40 BEAB C[C@@H]1Cc2c(O)ccc(Br)c2O1 616567626 FLFDNTUCKJQCMM-RXMQYKEDSA-N 229.073 2.478 0 40 BEAB c1ccc(CN2CCC[C@H]2C2OCCO2)cc1 933907341 LGGFZZWTYVVJIL-ZDUSSCGKSA-N 233.311 2.024 0 40 BEAB CN[C@H]1CN(Cc2ccccc2)CC[C]1C 1560408768 QCJSJDUOTKJMGS-AWEZNQCLSA-N 217.336 2.075 0 40 BEAB CCC(=O)Nc1nnc(C(C)(C)C)s1 83730 FBAWRGHPYXEGQV-UHFFFAOYSA-N 213.306 2.184 0 40 BEAB Cc1ccc(C)c(NC2=NCCOC2)c1 203938 DVCSJUWPVHQRHW-UHFFFAOYSA-N 204.273 2.144 0 40 BEAB S=c1[nH]cnc2c1ncn2Cc1ccco1 1713927 XPKNCYCTWFVAJB-UHFFFAOYSA-N 232.268 2.130 0 40 BEAB in-vitro CCCCCC[C@H](N(C)C)P(=O)(O)O 1720878 QETGHKZJETXZKF-SECBINFHSA-N 223.253 2.022 0 40 BEAB CCOP(=O)(OCC)[C@H]1CCCCN1 1876574 ZJEBPGBWAOXZPZ-VIFPVBQESA-N 221.237 2.352 0 40 BEAB Nc1cccnc1-c1ccc(C(=O)O)s1 2458582 PLYFEGNPBBLMMB-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB COc1ccc(C(=O)CCC(=O)O)cc1C 4511272 WNNVNQBKNSPKPP-UHFFFAOYSA-N 222.240 2.051 0 40 BEAB biogenic CCCCCNC(=O)c1ccc2c(c1)OCO2 5463969 IRCFPXYIPLLUKY-UHFFFAOYSA-N 235.283 2.335 0 40 BEAB CCCNCc1cc(OC)c(OC)cc1OC 7262333 KTHKDKDJEGCVLM-UHFFFAOYSA-N 239.315 2.212 0 40 BEAB CCc1ccc(NC(=O)C(=O)N[C@@H](C)CC)cc1 9993369 INWDFWMBVROYJY-JTQLQIEISA-N 248.326 2.102 0 40 BEAB Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 11567964 NHXZHRLMWSWDQF-UHFFFAOYSA-N 240.310 2.326 0 40 BEAB CCCc1ccc(NC(=O)CCC(=O)O)cc1 16971764 IPIUQFOIZIOYJM-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB c1ccc2c(c1)CCCN2C[C@@H]1CCCNC1 19425063 KMRRDHQQNLECAO-CYBMUJFWSA-N 230.355 2.439 0 40 BEAB C[C@H](N)c1nc(-c2cccc(Cl)c2)no1 19785455 PXEQJKNOHRWGHR-LURJTMIESA-N 223.663 2.410 0 40 BEAB Clc1cccc(CN2CCNCC2)c1Cl 19957585 LFMDJDXSAUVJHV-UHFFFAOYSA-N 245.153 2.399 0 40 BEAB COC(=O)CNc1ccc(C(F)(F)F)cc1 20046375 RCXFVOVWDMWLHH-UHFFFAOYSA-N 233.189 2.290 0 40 BEAB CCn1cc(CNCc2ccccc2OC)cn1 20349192 MRBORRFCOSSTSU-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB CCCN1C(=O)C(C)(C)COc2ccc(N)cc21 34936225 PKILWPMXPHSQBW-UHFFFAOYSA-N 248.326 2.430 0 40 BEAB COCc1cccc(CNC(=O)c2ccoc2)c1 36397936 SNMWQBOAZYHXHZ-UHFFFAOYSA-N 245.278 2.356 0 40 BEAB CCN1CC[C@H](CNCc2cccc(OC)c2)C1 37643757 SDURYEWUMWAFRU-CQSZACIVSA-N 248.370 2.127 0 40 BEAB COc1ccc(OC)c([C@@H](O)c2ccco2)c1 40244869 LPPYVRQQYGPHJP-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB CCc1cccc(C=O)c1-n1cccn1 40449000 WAORENYYQFYIRS-UHFFFAOYSA-N 200.241 2.247 0 40 BEAB COc1cccc(OCCn2ccnc2C)c1 41258841 WZIPRWQPZIDRJH-UHFFFAOYSA-N 232.283 2.279 0 40 BEAB CC1(C)C[C@@H]1NCc1cc2ccccc2[nH]c1=O 45116514 PGADYWRNLFPPOX-ZDUSSCGKSA-N 242.322 2.416 0 40 BEAB Cc1oc(-c2ccc(F)cc2)nc1CC(=O)O 49632722 BYFWOMRUSAYTCY-UHFFFAOYSA-N 235.214 2.416 0 40 BEAB CCCCNCc1ccc(OCC(=O)O)cc1 62716779 PELAEUZDGGWKKQ-UHFFFAOYSA-N 237.299 2.040 0 40 BEAB CSC[C@@H](C)C(=O)Nc1cccnc1 66757784 BFHOQOBOPWYHHB-MRVPVSSYSA-N 210.302 2.019 0 40 BEAB CCOC(=O)C[C@@H](C(C)C)N1CCCC1 70823504 DCNSLTXFAAPJQJ-NSHDSACASA-N 213.321 2.060 0 40 BEAB CC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 72208843 RUGHRUGUZBVUFM-MRVPVSSYSA-N 249.257 2.220 0 40 BEAB Cc1noc(C)c1COC(=O)c1ccccn1 72332247 NQJWEOWBNUEASS-UHFFFAOYSA-N 232.239 2.043 0 40 BEAB COCCC(=O)N1CCC[C@@H]1c1cccc(C)n1 72361391 FSBXVMVOWAQOIV-CYBMUJFWSA-N 248.326 2.090 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@@H]2NCC[C@@H]21 76685651 YEOHBOANBXVKQK-QWRGUYRKSA-N 240.347 2.138 0 40 BEAB O=C(O)c1ccc2nc(-c3ccccc3)nn2c1 82749733 QHWQUJVXTXQKIJ-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB C[C@@H]1C[C@H]1c1ccc(CNC(=O)C2CC2)o1 84688996 IQMZEYDKCVLGQZ-LDYMZIIASA-N 219.284 2.429 0 40 BEAB CCCNCc1cc2cc(C)ccc2[nH]c1=O 89261564 PFGSOEQUUVBVMJ-UHFFFAOYSA-N 230.311 2.336 0 40 BEAB CCc1nc2cc(CC(=O)OC)ccc2o1 95215841 HDLOLVTUOBBAFA-UHFFFAOYSA-N 219.240 2.106 0 40 BEAB CC(C)(C)c1n[nH]c([C@H](N)c2ccc(F)cc2)n1 95533326 XTQBKMFOKBQBDT-SNVBAGLBSA-N 248.305 2.289 0 40 BEAB CCCCCN1CC(=O)N[C@H]1c1cccs1 96499998 VRMVLAJVCULVJC-GFCCVEGCSA-N 238.356 2.369 0 40 BEAB N[C@@H]1CCN(Cc2cc(F)ccc2Cl)C1 96523494 JBZRJLBAMFLCAH-SNVBAGLBSA-N 228.698 2.012 0 40 BEAB Cc1cccc(NCCC(=O)NC2CCCC2)n1 97096643 SPFJLCSXHRZRPQ-UHFFFAOYSA-N 247.342 2.251 0 40 BEAB CC(=O)C12[C@H]3C=C[C@H]4C3C3[C@@H]1C=C[C@H]3C42C(C)=O 101003280 JTYBIQKNTFIYQK-YNQKLHRJSA-N 240.302 2.015 0 40 BEAB C[C@H](NC(=O)C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102583006 XUKIOVWVGJVCDC-QSFUFRPTSA-N 207.317 2.337 0 40 BEAB COC(=O)c1cc2ccc(F)cc2cn1 116374063 FJAMHCIUYXAFRF-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB CCCn1nccc1CNCCCOC(C)C 159989783 VWGWMLCPARXHNB-UHFFFAOYSA-N 239.363 2.198 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@H]1NCCCn1ccnn1 192391708 FAELYVBMFLIDES-NEPJUHHUSA-N 236.363 2.083 0 40 BEAB CN(N)c1ccc2cccc(Cl)c2n1 199547126 QMXWSABFHYTZJH-UHFFFAOYSA-N 207.664 2.198 0 40 BEAB CC[C@H](C(=O)O)N(C)c1ccccc1F 224986642 ZDUJXSQAXOTCHM-SECBINFHSA-N 211.236 2.125 0 40 BEAB CCCCN1NC2(CCCCC2)NC1=S 225352698 YIJJNNBHIONSMS-UHFFFAOYSA-N 227.377 2.142 0 40 BEAB CCN(CC)c1ccc(N)cc1C(=O)NC1CC1 225484041 YZMQYGDRKVPCIC-UHFFFAOYSA-N 247.342 2.007 0 40 BEAB CCOC(=O)c1cc(-c2ccsc2)n[nH]1 238290621 XXPQQQGODCZOOM-UHFFFAOYSA-N 222.269 2.315 0 40 BEAB COc1cc2[nH]c(Cl)nc2cc1F 238400021 AINRQDAABZWABX-UHFFFAOYSA-N 200.600 2.364 0 40 BEAB CCn1nc(N)cc1COc1ccccc1F 257907034 LLMVTSWAAYMJEX-UHFFFAOYSA-N 235.262 2.203 0 40 BEAB O=C(Nc1ccc(F)cn1)NC1CCCC1 273198351 QLKLEGPVCROFKU-UHFFFAOYSA-N 223.251 2.285 0 40 BEAB CC(=O)Oc1ccc2nc(C)c(C)nc2c1 408977357 VPJYBYVXLGOZMD-UHFFFAOYSA-N 216.240 2.172 0 40 BEAB O=C(N[C@@H]1CCC(F)(F)C1)C1(C2CC2)CC1 889553843 JSICARVBFNGMBF-SECBINFHSA-N 229.270 2.481 0 40 BEAB O=Cc1ccc(OC(=O)c2cccnc2)cc1 448456 MEASBTFUQUJCEP-UHFFFAOYSA-N 227.219 2.113 0 40 BEAB O=C(CCCO)c1nc2ccccc2s1 1609996 JBHZHHKYAASTCE-UHFFFAOYSA-N 221.281 2.252 0 40 BEAB COc1ccc([C@H]2CCC(=O)C[C@H]2C(=O)O)cc1 1644694 HTPVKBOETCNMAK-CHWSQXEVSA-N 248.278 2.233 0 40 BEAB CNC(=O)Oc1ccccc1Br 1671019 HHMDSPJREHDNKG-UHFFFAOYSA-N 230.061 2.167 0 40 BEAB COC(=O)c1c2c(cc3c1CCC3)CCC2 1855439 GJVIXJNHMXGNBX-UHFFFAOYSA-N 216.280 2.451 0 40 BEAB COC(=O)C1=Nc2ccccc2C1(C)C 3847657 BDCVXWWWJQPXLQ-UHFFFAOYSA-N 203.241 2.223 0 40 BEAB biogenic CC[C@H](CO)NCc1ccccc1Cl 5651467 OGFBATFFPAVFKT-SNVBAGLBSA-N 213.708 2.201 0 40 BEAB CS(=O)(=O)/C=C\c1cc2ccccc2[nH]1 5663239 PCUPZBFVOPNLLR-SREVYHEPSA-N 221.281 2.183 0 40 BEAB CCC[C@H](Oc1cccc(OC)c1)C(=O)O 8730628 USORPMCOQZGBRR-NSHDSACASA-N 224.256 2.327 0 40 BEAB COCCCNCCOc1ccc(Cl)cc1 8752998 XMFWNRLPCWWQFO-UHFFFAOYSA-N 243.734 2.345 0 40 BEAB CC(C)/C=C(/NC(=O)c1ccccc1)C(=O)O 13409344 ISSHWTGIRNIHQM-DHZHZOJOSA-N 233.267 2.041 0 40 BEAB CCc1c(O)nc(/C=C/c2ccccc2)oc1=O 16161163 IZNDBAAJWVWUOG-CMDGGOBGSA-N 243.262 2.473 0 40 BEAB Cc1ccccc1-c1noc([C@@H]2CCCN2)n1 22147654 YEBOZYURVAOQNG-NSHDSACASA-N 229.283 2.470 0 40 BEAB CCCN1CCO[C@@H](c2cccc(O)c2)C1 26822908 WYEGTIGJSHGEID-CYBMUJFWSA-N 221.300 2.176 0 40 BEAB Cc1cn2nc(N(C)Cc3ccco3)sc2n1 29627615 ZMEZXKHROXKZTO-UHFFFAOYSA-N 248.311 2.329 0 40 BEAB CO[C@H](C)c1ccc(-c2cnc(N)nc2)cc1 32513783 WLAKRCALYMFHCG-SECBINFHSA-N 229.283 2.433 0 40 BEAB Cc1cc(NC2CCCC2)n2ncnc2c1 35047926 YLNYFEJGYZZPAG-UHFFFAOYSA-N 216.288 2.392 0 40 BEAB Cc1ccc(-c2cc3n(N)c(C)nn3c2)c(C)c1 35682686 MLXWVJZCSQQHRP-UHFFFAOYSA-N 240.310 2.442 0 40 BEAB C[C@H](NCC1CCNCC1)c1ccc(F)cc1 43220469 BKWTXKZYQRFXDV-NSHDSACASA-N 236.334 2.476 0 40 BEAB O=C(O)/C=C/c1cnc(Br)s1 44214736 QZJVONPZJBDGOP-OWOJBTEDSA-N 234.074 2.003 0 40 BEAB COc1ccccc1CN(C)C(=O)C1CC1 45477422 CYXIFMCLRPSTTP-UHFFFAOYSA-N 219.284 2.064 0 40 BEAB O=C(N[C@@H]1CCc2ccccc21)c1ccccn1 48413047 JUDABKBJNFUEOD-CYBMUJFWSA-N 238.290 2.499 0 40 BEAB Cc1nc(CN[C@H](C)[C@H](C)n2cccn2)oc1C 69948467 FQOYZOCQOSKBJA-KOLCDFICSA-N 248.330 2.227 0 40 BEAB Cc1ccncc1NC(=O)Cc1cccc(O)c1 71414422 JOMCPDPKDFHNEK-UHFFFAOYSA-N 242.278 2.277 0 40 BEAB COc1cccc(OC)c1-c1cc(O)on1 71976573 RUTGWWGQAFRVEF-UHFFFAOYSA-N 221.212 2.064 0 40 BEAB CNc1ccc([C@@H](N)c2ccccc2)c(C)n1 72224109 XZCIULWRVROEDG-AWEZNQCLSA-N 227.311 2.480 0 40 BEAB COC[C@@H](C)Oc1ccc2ccc(=O)oc2c1 72311186 BRWYCAFLFBXTQA-SECBINFHSA-N 234.251 2.207 0 40 BEAB Cc1cc(CCNC(=O)c2ccccc2C)on1 77122370 DBBYWXGAQNPFNG-UHFFFAOYSA-N 244.294 2.264 0 40 BEAB CCOC[C@@H](O)CN1CCCc2ccc(C)cc21 79099938 LYEQANBFWFMJKX-AWEZNQCLSA-N 249.354 2.145 0 40 BEAB CC(C)=CC(=O)NC[C@](C)(O)c1cccs1 80879201 CZFMOISROYDUEV-LBPRGKRZSA-N 239.340 2.038 0 40 BEAB Cn1ccc2cc(Br)ncc21 82373781 RABYASJBXWKVAR-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB O=C(O)c1c(Cl)ccnc1C(F)(F)F 84235410 LORVMHLMFSWALD-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB O[C@H]1Cc2ccccc2[C@@H]1NCc1ccsc1 85333353 ZNUAXQOWGPQKAG-KBPBESRZSA-N 245.347 2.496 0 40 BEAB CCO[C@H]1C[C@@H](NC(C)=O)C12CCCCC2 95402005 CXLNJOZSTFFEFK-NEPJUHHUSA-N 225.332 2.250 0 40 BEAB Brc1cccc([C@@H]2CCCNC2)n1 95828449 QSJYEKJIUXRSGK-MRVPVSSYSA-N 241.132 2.311 0 40 BEAB CCOC(=O)c1c(F)cc(OC)cc1F 95916003 PWYVDWXBWUDXKK-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB Cc1ccc([C@@H]2Cn3ncc(C(=O)O)c3N2)cc1 96530314 WEACSYILEYQDNS-NSHDSACASA-N 243.266 2.057 0 40 BEAB CNC(=O)Nc1cc(Cl)cc2c1OCC2 97145853 YQTGKFKWFHJDOW-UHFFFAOYSA-N 226.663 2.026 0 40 BEAB CCOC(=O)[C@@H]1CS[C@@H](C2CCCCC2)N1 98072744 JCJZOMFERPNRMY-QWRGUYRKSA-N 243.372 2.161 0 40 BEAB CN1C[C@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 100269479 KHMRJIBLRBENAX-QWRGUYRKSA-N 239.702 2.070 0 40 BEAB C[C@H](NN)c1c(F)ccc(Cl)c1F 199536343 KTIIODPUYVYUQJ-BYPYZUCNSA-N 206.623 2.143 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCC(=O)C1 213151573 PLEPMTDRDKDDFD-SECBINFHSA-N 227.304 2.365 0 40 BEAB CCCCCNC(=S)Nc1nccc(C)n1 225174863 KXABJSAKRBACRY-UHFFFAOYSA-N 238.360 2.262 0 40 BEAB CCCCN1N[C@](C)(CCCC)NC1=S 225348035 LZZYUMLPTIUXQU-LLVKDONJSA-N 229.393 2.388 0 40 BEAB CC(C)Nc1ccc(N)cc1C(=O)N1CCCC1 225452735 DGACFGYTXAJLNZ-UHFFFAOYSA-N 247.342 2.325 0 40 BEAB Cc1cccc(OC[C@H]2CCCCO2)n1 585654082 CLPZZIMLPLZNDF-LLVKDONJSA-N 207.273 2.338 0 40 BEAB CCc1cc(CO)c2c(OC)cccc2n1 685937093 KICMPCPIXKBGRB-UHFFFAOYSA-N 217.268 2.298 0 40 BEAB Cc1cc(NC(=O)Cc2cccs2)no1 116298 OPYMOTLKQFPQGP-UHFFFAOYSA-N 222.269 2.226 0 40 BEAB aggregator Cn1c(-c2ccc(CO)o2)nc2ccccc21 807831 BWGSXVWGBUJUQY-UHFFFAOYSA-N 228.251 2.326 0 40 BEAB OC[C@H]1CCCC[C@]1(O)c1ccccc1 1565304 AEPWPCRJAHECSU-OLZOCXBDSA-N 206.285 2.057 0 40 BEAB CCCc1cc2c(cc1COC(C)=O)OCO2 1676651 WWICMEFCFMCQIW-UHFFFAOYSA-N 236.267 2.431 0 40 BEAB O=C(O)c1cccc(C(=O)c2ccccc2)c1O 1701211 QDHUJKQTILCXTA-UHFFFAOYSA-N 242.230 2.321 0 40 BEAB CCOCCn1c([C@H](C)O)nc2ccccc21 1926814 ACYJPUHBPQAFNT-JTQLQIEISA-N 234.299 2.126 0 40 BEAB C[C@@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C 2780557 OPTCZTYKLROXHD-SSDOTTSWSA-N 245.273 2.443 0 40 BEAB CCOC(=O)c1[nH]c2cc(F)ccc2c1C=O 3679815 QPQCMCNOUSMINX-UHFFFAOYSA-N 235.214 2.296 0 40 BEAB O=C1O[C@@H](O)c2cc(Cl)c(Cl)cc21 3847625 AYZIELGHYOUWQP-SSDOTTSWSA-N 219.023 2.155 0 40 BEAB biogenic COc1ccc([C@H](C)n2nccc2N)cc1OC 4575259 IXEBHRLINODWNZ-VIFPVBQESA-N 247.298 2.092 0 40 BEAB Cc1cc(N)n(-c2ccc(C)c(C)c2)n1 4992318 WXDYUCKPHTULEB-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB Cc1ccc(-n2nc(C(=O)O)c3c2CCC3)cc1 11802322 BPFQULCHXXUGSS-UHFFFAOYSA-N 242.278 2.368 0 40 BEAB CC[C@@H](Cc1cc(OC)ccc1OC)C(=O)O 11976923 PBYPSVKDXZCNMX-VIFPVBQESA-N 238.283 2.357 0 40 BEAB CC[C@@H](C(=O)O)n1nc(C(F)(F)F)cc1C 12357589 XKONCEKLNBIPLF-LURJTMIESA-N 236.193 2.246 0 40 BEAB Cc1nc2ccc(Cl)cc2nc(C)/c1=N\O 13124457 AYFILULTYUPOAQ-PTNGSMBKSA-N 235.674 2.190 0 40 BEAB CCn1nc(C)cc1NC(=O)c1ccco1 13656480 ARLNNRXYQNOHLI-UHFFFAOYSA-N 219.244 2.057 0 40 BEAB NC[C@H](c1ccccc1Cl)[C@@H]1CCCN1 15020667 CLQOCVWWNBVYJO-PWSUYJOCSA-N 224.735 2.134 0 40 BEAB NCCCOc1ccccc1Br 19478108 SXYBHRKTQYBUGR-UHFFFAOYSA-N 230.105 2.177 0 40 BEAB O=C(O)CCNCc1c(F)cccc1Cl 19787893 XHUFETANTZQLGD-UHFFFAOYSA-N 231.654 2.043 0 40 BEAB O=C(O)CCCc1ccc(F)c(F)c1 20217147 WJFMKSWYCLPPFV-UHFFFAOYSA-N 200.184 2.372 0 40 BEAB in-vitro CCCNC1CCN(c2ccncc2)CC1 34978932 YJCBZLNJQRJFOB-UHFFFAOYSA-N 219.332 2.050 0 40 BEAB in-vitro COCC(=O)c1sccc1Br 37346612 HOGORUGTFSXPJZ-UHFFFAOYSA-N 235.102 2.340 0 40 BEAB CCN(C(=O)c1ccc(F)cc1)C1CC1 37982003 RWXZEIIUBSJJSR-UHFFFAOYSA-N 207.248 2.450 0 40 BEAB CC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 40164145 YJMKHXNHGKFILS-UHFFFAOYSA-N 235.670 2.244 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCc1cccnc1 40465310 HVQFDACZKWDPQD-LLVKDONJSA-N 216.284 2.054 0 40 BEAB C[C@@H]1CN(Cc2ccccc2F)CCO1 40479429 HEESVUUESWGQJN-SNVBAGLBSA-N 209.264 2.046 0 40 BEAB O[C@H](CNc1ncccn1)c1cccc(Cl)c1 40520238 LKSDAWYDKJKAMX-LLVKDONJSA-N 249.701 2.276 0 40 BEAB COc1cccc([C@@H]2CCCN2C(C)=O)c1 42009790 BTTYWNVACUVDJT-ZDUSSCGKSA-N 219.284 2.379 0 40 BEAB C[C@@H](NC(=O)NCc1ccccc1)[C@@H]1CCCO1 43728367 SYQCDGBJUOGBID-YPMHNXCESA-N 248.326 2.053 0 40 BEAB Cc1cc(C(=O)NC(C)(C)C)nn1C(C)(C)C 48687824 DTNBEMPDXCUSLT-UHFFFAOYSA-N 237.347 2.475 0 40 BEAB Cc1noc(-c2ccc(Br)o2)n1 61957942 JKWYFVZEEMVBLJ-UHFFFAOYSA-N 229.033 2.401 0 40 BEAB Cc1cccc(CC2(O)CCOCC2)c1 63076832 QKUVCSBSPGNRHX-UHFFFAOYSA-N 206.285 2.079 0 40 BEAB Cc1nc(C)c(C(=O)N2CCCCC2)s1 65621634 QHYXGTIJRMGVID-UHFFFAOYSA-N 224.329 2.386 0 40 BEAB CC(=O)n1c2c(c3ccccc31)C[C@@H](C)OC2=O 68605365 VGVTUAICVWSZBQ-MRVPVSSYSA-N 243.262 2.403 0 40 BEAB O=C(O)c1cccnc1OCc1ccccc1F 70079400 WSLQGTOTPYXTMT-UHFFFAOYSA-N 247.225 2.498 0 40 BEAB in-vitro Fc1cnc2nc(-c3cccnc3)[nH]c2c1 71257670 FZOLCQUGYHURPG-UHFFFAOYSA-N 214.203 2.159 0 40 BEAB CCN1CCC[C@@H]1c1cccnc1N(C)C 72212647 PKMRIPPCDMBKPJ-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc(NC2CC2)nc1 72213772 GWMXLURQXMPFOB-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB CCCN(CC(=O)O)[C@H]1CCc2ccccc2C1 83662685 HJQQZBLRSBBBIR-AWEZNQCLSA-N 247.338 2.341 0 40 BEAB CNc1cccc(OC)c1Br 84482365 XVYCDPAZCJJQFH-UHFFFAOYSA-N 216.078 2.499 0 40 BEAB O=C1CCC(C(=O)O)(c2cccc(F)c2)CC1 84533730 WJOVDFRUNBGQSX-UHFFFAOYSA-N 236.242 2.291 0 40 BEAB CCc1ccc(OC2(C(=O)OC)CC2)cc1 85393165 SQIVJQXJHOHHHF-UHFFFAOYSA-N 220.268 2.333 0 40 BEAB Cc1cc(CNCc2ccc(F)cc2)n(C)n1 89182340 YHOSINUILCMVNU-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB Cc1nc(C(=O)O)ccc1C(F)(F)F 91301451 YEYCHOMDGFGJME-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB CC(C)=CCC[C@H](C)NCC1(O)CCOCC1 95421804 SEWCKRMXLCNYJV-ZDUSSCGKSA-N 241.375 2.252 0 40 BEAB COC(=O)C(=O)c1ccccc1C(C)C 95729543 UUYRTVYKOZTTOO-UHFFFAOYSA-N 206.241 2.166 0 40 BEAB CS[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 96119992 DURLHEPLJGOUBM-ZWNMCFTASA-N 237.324 2.257 0 40 BEAB CCCCC[C@H](NC(=O)C=C(C)C)C(=O)O 97036356 CYXTZTPPBDWNHK-JTQLQIEISA-N 227.304 2.102 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccc(OC)nc1 97040448 HCGNQABQMSGVFC-BJMVGYQFSA-N 234.299 2.063 0 40 BEAB Cc1ccc([N+](=O)[O-])c(O)c1Br 140971413 MPLDLWHRQIVKLC-UHFFFAOYSA-N 232.033 2.371 0 40 BEAB C[C@@H]([C@@H](C)NCCC(C)(C)C)N1CCOCC1 187879970 GUVFXDHNVQQVDS-OLZOCXBDSA-N 242.407 2.121 0 40 BEAB CCCCO[C@@H](Cc1ccccc1)C(=O)O 199386030 SKKLZZUJOQMXSQ-LBPRGKRZSA-N 222.284 2.499 0 40 BEAB Cc1ccc(CN[C@H]2CCCC[C@H]2N)cc1 218854772 ONBQDJOJQCEANE-KGLIPLIRSA-N 218.344 2.355 0 40 BEAB CO[C@H](C)CN1CCn2c(cc3ccccc32)C1 336029876 BXDXPCKOGXSDRO-GFCCVEGCSA-N 244.338 2.492 0 40 BEAB N#Cc1ccc(=Nc2ccc(Cl)cc2F)[nH]n1 396969682 LDAOIHZBPPVCAX-UHFFFAOYSA-N 248.648 2.306 0 40 BEAB CN(CC1CCC1)c1ncnc2c1CCC2 599950305 VHNGJXRGQBUNAC-UHFFFAOYSA-N 217.316 2.202 0 40 BEAB CC(C)(c1ncc(C(=O)O)cn1)C(F)(F)F 606303117 FQXPQJNEROZQHP-UHFFFAOYSA-N 234.177 2.015 0 40 BEAB Cc1cc2[nH]c(S)nc2c2nsnc12 322371 BMWUNOCHTBHNDU-UHFFFAOYSA-N 222.298 2.165 0 40 BEAB Clc1nc2nonc2nc1Nc1ccccc1 532861 JIZVWJMBMNNVEB-UHFFFAOYSA-N 247.645 2.410 0 40 BEAB CCOc1ccccc1C(=O)Nc1nncs1 892848 LRGGJZBHZBZNIS-UHFFFAOYSA-N 249.295 2.189 0 40 BEAB C=CS(=O)(=O)Oc1cc(C)cc(C)c1 1782996 VIPJLBHSRGJKNO-UHFFFAOYSA-N 212.270 2.156 0 40 BEAB CN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 2243733 UWJUQVWARXYRCG-DZGCQCFKSA-N 249.354 2.332 0 40 BEAB biogenic,world COC(=O)[C@H](Cc1ccccc1Cl)C(C)=O 2574191 MJVOECDQEZFFKP-SNVBAGLBSA-N 240.686 2.261 0 40 BEAB CCCCS[C@H]1C[C@H](C)NC(=S)N1 2588196 BLQUFVLATCMVGG-YUMQZZPRSA-N 218.391 2.102 0 40 BEAB COc1cccc(C(=O)n2cc(Cl)cn2)c1 2763684 MAKSPRXAUAVGSL-UHFFFAOYSA-N 236.658 2.234 0 40 BEAB CN(C)c1nc(C=O)c(Cl)n1-c1ccccc1 12505209 PEQNFSIRQFPUCX-UHFFFAOYSA-N 249.701 2.404 0 40 BEAB Cc1c([C@@H](C)N)cnn1-c1ccc(F)cc1 12896323 NYCUYYYDOOFYPC-MRVPVSSYSA-N 219.263 2.340 0 40 BEAB CN1CCN(c2cccc(C(F)(F)F)c2)CC1 13470056 AYBJOYHCSCVXCS-UHFFFAOYSA-N 244.260 2.457 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C 13814037 YEFPZQNJYCVDAB-GFCCVEGCSA-N 232.327 2.336 0 40 BEAB Cc1ccc(OC2CCNCC2)c(C)c1 14631902 OBEGPAJPLHHYDR-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1 19411166 QGPTVOCPVYZWIW-NSHDSACASA-N 240.253 2.045 0 40 BEAB in-vitro Cc1cccc(CN[C@@H](C(=O)O)C(C)C)c1 19787736 ULLFDOWKVBFKOM-GFCCVEGCSA-N 221.300 2.194 0 40 BEAB in-vitro CCN(CC)CCNCc1ccccc1OC 19919158 FRLUFYAWTAZMMX-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB N[C@H](CN1CCCC1)c1ccc(F)c(F)c1 23066694 WANRPWULDRGKMW-GFCCVEGCSA-N 226.270 2.060 0 40 BEAB COc1ccc(CN)cc1OC1CCCC1 26514796 LQAZTPLKCKECMZ-UHFFFAOYSA-N 221.300 2.475 0 40 BEAB in-vitro O=C(O)c1ccc2c(c1)ncn2Cc1ccco1 31772035 WWGMQRGLLKPHLU-UHFFFAOYSA-N 242.234 2.376 0 40 BEAB Cc1cc([C@H]2CCCN2c2ncccn2)no1 32770063 GYIATOUNOCIWGU-LLVKDONJSA-N 230.271 2.115 0 40 BEAB CCc1nc(Cl)c2c(n1)c(C)nn2CC 34204459 JHXVVWBUJJWRTB-UHFFFAOYSA-N 224.695 2.370 0 40 BEAB CC(C)C(=O)NC[C@@H](c1cccs1)N(C)C 36079473 ODGRSLRAMVVFDE-JTQLQIEISA-N 240.372 2.123 0 40 BEAB Cc1n[nH]cc1CN[C@@H](C)c1ccco1 36901755 SAUSLNOXKQUZJE-VIFPVBQESA-N 205.261 2.162 0 40 BEAB CN(C(=O)CNC1CCCC1)c1ccccc1 37387043 MBLVPKKXKXRFLJ-UHFFFAOYSA-N 232.327 2.182 0 40 BEAB C[C@@H](NCc1ccccc1)c1cc[nH]n1 37906344 KQGLAUZGLZGSGA-SNVBAGLBSA-N 201.273 2.261 0 40 BEAB in-vitro CC(C)OCCCNC(=O)[C@@H]1CC=CCC1 40473374 UHCPPPNWMJNRIS-GFCCVEGCSA-N 225.332 2.274 0 40 BEAB CCc1cccc(C)c1NC(=O)N[C@@H](C)CO 40525489 SSEBFDPRGGXPHA-JTQLQIEISA-N 236.315 2.060 0 40 BEAB CC1(C)C[C@H](C(=O)O)c2ccccc2O1 41214660 BWVFHFVXJOLMIC-VIFPVBQESA-N 206.241 2.416 0 40 BEAB CC(C)c1ccc(COC2CNC2)cc1 42769809 CFYINSAHQJZRJE-UHFFFAOYSA-N 205.301 2.298 0 40 BEAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccncc1 48954692 CATAUEYRYBUUSW-LBPRGKRZSA-N 249.314 2.114 0 40 BEAB N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 49648358 UHQDZBZXNKWKHF-SECBINFHSA-N 245.109 2.057 0 40 BEAB in-vitro CNC[C@@H](OC)c1cccc(Br)c1 50482393 NHIDADDJZRNOOE-SNVBAGLBSA-N 244.132 2.356 0 40 BEAB CCC(N)(CC)CNC(=O)OC(C)(C)C 62151933 VTFJSWJQZQVKSS-UHFFFAOYSA-N 216.325 2.029 0 40 BEAB in-vitro Fc1ccccc1-c1nc([C@@H]2CCCNC2)no1 62257531 ZFHFNSDFNOKROG-SECBINFHSA-N 247.273 2.343 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCC2CC2)c1 69491851 HLRPQDKSASNQIN-WDEREUQCSA-N 207.321 2.141 0 40 BEAB CCOCCN1CCCc2cc(OC)ccc2C1 69631463 LPVUZIVHXGCBMI-UHFFFAOYSA-N 249.354 2.480 0 40 BEAB FC(F)(F)c1ccnc(NCC2CC2)n1 70225702 OQHRRXNJBQXLEI-UHFFFAOYSA-N 217.194 2.317 0 40 BEAB C[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208739 MFZDEMSNUTXFJE-UWVGGRQHSA-N 229.320 2.014 0 40 BEAB COC(=O)c1cnc(N2CCCCC2)c(C)c1 72222452 PRBKUTTVYKBNRA-UHFFFAOYSA-N 234.299 2.167 0 40 BEAB COC(=O)c1ccc(-c2ccccc2OC)[nH]1 72226038 CNUAIFISGXYNCZ-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB CC(=O)Nc1ccnn1Cc1cccc(C)c1 73287617 MINWSQXJXXESPC-UHFFFAOYSA-N 229.283 2.198 0 40 BEAB COc1ccc(C(=O)C(F)(F)F)c(N)c1 75855062 PGSKLTJSCYKOQT-UHFFFAOYSA-N 219.162 2.022 0 40 BEAB C[C@H](Cc1cncc2ccccc12)C(=O)O 87925532 XMFZCMFRPYPBSN-SECBINFHSA-N 215.252 2.498 0 40 BEAB COCc1noc(C2(c3ccc(F)cc3)CC2)n1 89420408 FUVJOUPTEOUELZ-UHFFFAOYSA-N 248.257 2.435 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)CCOCc1ccccc1 89920366 HZJACYYELBSWER-TZMCWYRMSA-N 247.338 2.318 0 40 BEAB Cc1ccc2nc(C3CC3)[nH]c(=O)c2c1 95369324 NMYZHJBAGWUSBB-UHFFFAOYSA-N 200.241 2.109 0 40 BEAB CC[C@@H](C(=O)O[C@@H]1CCSC1)N(CC)CC 95943885 FNYOCSMXQZJFBE-MNOVXSKESA-N 245.388 2.156 0 40 BEAB O=C(O[C@@H]1C=CCC1)c1ccn2cncc2c1 96500270 HVZFNIRBHTZBIB-GFCCVEGCSA-N 228.251 2.210 0 40 BEAB CC(C)c1nnc(NCc2cccn2C)o1 97045366 QTENLTAVJBZUJV-UHFFFAOYSA-N 220.276 2.144 0 40 BEAB C[C@H](CCn1cccn1)OC(=O)c1ccoc1 97050254 DPEUQRGCEQSEND-SNVBAGLBSA-N 234.255 2.112 0 40 BEAB CCC(=O)N(CCC(=O)OC)c1ccccc1C 97139705 JYVCQKMLPQTYGE-UHFFFAOYSA-N 249.310 2.301 0 40 BEAB NN[C@@H](c1ccccc1)c1cccs1 161792719 GRAZDOLBKVQHBC-NSHDSACASA-N 204.298 2.301 0 40 BEAB O=C(OCC(F)(F)C(F)(F)F)n1ccnc1 169804802 IUAFCLHNYFAFPK-UHFFFAOYSA-N 244.119 2.065 0 40 BEAB Cc1c(-c2ccccc2F)nc(N)n1C 199559962 QWRCJRCHAGYJAT-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB Cc1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1 199773254 GZZBPMZBRWLDPG-UHFFFAOYSA-N 228.295 2.286 0 40 BEAB Cc1cccc2c(NCCCN)ccnc12 212069858 FQENLBVTPTYTAV-UHFFFAOYSA-N 215.300 2.304 0 40 BEAB Cn1nc(OCC2CC2)c2ccc(C(=O)O)cc21 225772200 KWDBLSUNRGYQQF-UHFFFAOYSA-N 246.266 2.060 0 40 BEAB CCn1c(C)ccc1CNC[C@@H]1CCCO1 226019141 AALKKSJWLGARNS-ZDUSSCGKSA-N 222.332 2.085 0 40 BEAB C[C@H]1CNCC[C@]1(O)Cc1cccc(Cl)c1 229562582 WBIRVXSEODWUTC-GWCFXTLKSA-N 239.746 2.243 0 40 BEAB Cc1cc(NCc2cnn(CC(C)C)c2)nn1C 256050824 GQKSTAURTZDMLU-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@H]1c1cccc(F)c1 257197784 JEAZYSLWBMPPRO-NEPJUHHUSA-N 237.274 2.039 0 40 BEAB CCN1C[C@@H](C)N(CCOCC(C)C)C[C@@H]1C 330032663 QJWPVOFOEUMKHM-UONOGXRCSA-N 242.407 2.074 0 40 BEAB CCOC(=O)[C@H](CC)C1CCC(=O)CC1 1772715169 OWBCTQKZGGTHRG-LLVKDONJSA-N 212.289 2.335 0 40 BEAB Cc1n[nH]c(=O)nc1Nc1ccccc1C(C)C 114358 QORPYIDEONUKIH-UHFFFAOYSA-N 244.298 2.340 0 40 BEAB Cc1nnsc1C(=O)Nc1ccccc1 139054 IYKDYRRWHMXJLW-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CCCCNC(=S)Nc1c(C)n[nH]c1C 60432512 KZKJOQBPHHJWHI-UHFFFAOYSA-N 226.349 2.113 0 40 BEAB CCCC[C@@H](CC)COC(=O)[C@@H](C)O 1688338 FECDACOUYKFOOP-NXEZZACHSA-N 202.294 2.127 0 40 BEAB CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2C)n1 76093325 JPUURTLIXAVHNS-DTWKUNHWSA-N 220.272 2.075 0 40 BEAB CC[C@@](O)(CCN(C)C)c1ccccc1 2019836 SNVUWIFPJAVATJ-CYBMUJFWSA-N 207.317 2.236 0 40 BEAB CN(C)CC(C)(C)CN[C@@H]1C[C@H]2CC[C@@H]1C2 4011192 CZHRBWQKUXXMKV-YNEHKIRRSA-N 224.392 2.352 0 40 BEAB COc1cc(N2CCCCC2)c(C=O)cc1C=O 8701906 JQYMTWAYICIIQO-UHFFFAOYSA-N 247.294 2.311 0 40 BEAB C[C@@H](CC(N)=S)n1ccc(C(F)(F)F)n1 12394414 OYTOGZZACQKRKK-YFKPBYRVSA-N 237.250 2.139 0 40 BEAB CC[C@H](C)c1noc([C@@H]2CCCNC2)n1 57340781 LIRWVCGSRVEEHM-DTWKUNHWSA-N 209.293 2.050 0 40 BEAB CCCC(=O)OCc1ccc2c(c1)OCO2 1695463 JGTACHFOYJUNQJ-UHFFFAOYSA-N 222.240 2.259 0 40 BEAB Nc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 35697275 ZTEWIHXFQMCXSD-JTQLQIEISA-N 231.255 2.170 0 40 BEAB in-vitro CCCC(=O)n1c(S)nc2ccccc2c1=O 103650336 HPAMUJMCVBVHSP-UHFFFAOYSA-N 248.307 2.126 0 40 BEAB Cc1ccc(S[C@@H](C)C(N)=O)c(C)c1 3499423 CGILTBOHERTUNB-VIFPVBQESA-N 209.314 2.269 0 40 BEAB O=C(Nc1ccc(F)cc1)N1CCSCC1 48683139 GDHADNPAYFEKTD-UHFFFAOYSA-N 240.303 2.406 0 40 BEAB CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H]2C(=O)NC(=O)[C@H]12 4023150 QIHKOLSLJMRHDJ-IRCOFANPSA-N 233.311 2.054 0 40 BEAB biogenic CC(=O)Nc1ccc(O[C@@H]2COCC=C2C)cc1 5241715 QBTYIGJIFZDSDG-CQSZACIVSA-N 247.294 2.369 0 40 BEAB COc1ccc2c(c1)c(C[C@@H](C)N)cn2C 14001395 HNBLYZHJAGOELR-SECBINFHSA-N 218.300 2.077 0 40 BEAB OCc1c[nH]c2ccc(Br)cc12 5677921 UBNBFZVNTVNJQV-UHFFFAOYSA-N 226.073 2.423 0 40 BEAB in-vitro CCCc1noc(-c2ccccc2N)n1 22119789 HXCZMORBOFGPKN-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB C[C@H](NC(=O)n1ccnc1)c1ccc(F)cc1 20283034 HUVIBBRNBRJCFX-VIFPVBQESA-N 233.246 2.341 0 40 BEAB C=COCCCNCc1ccc(OC)cc1 7652333 XPGAMMRRVUPYBV-UHFFFAOYSA-N 221.300 2.335 0 40 BEAB C[C@H](C[C@@H](C)NC1CC1)NC(=O)OC(C)(C)C 95455490 JEAOYLBMACSRHH-NXEZZACHSA-N 242.363 2.430 0 40 BEAB Cc1nc(CCNc2cccc(Cl)c2)n[nH]1 62719080 MYHYJNHWWFOBMQ-UHFFFAOYSA-N 236.706 2.421 0 40 BEAB COc1ccc([C@]2(C)NC(=O)[C@@H](C)S2)cc1 39377185 XTAYNBMLZNSPDT-PRHODGIISA-N 237.324 2.119 0 40 BEAB C[C@@H](O)CCc1ccc(CC[C@@H](C)O)cc1 3844686 PGVYPRLLNJJHIG-VXGBXAGGSA-N 222.328 2.313 0 40 BEAB biogenic Fc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1F 218849058 APKZMGFTMSSXLC-QWHCGFSZSA-N 238.281 2.296 0 40 BEAB CCc1ccc(C(=O)Nc2ccn(C)n2)cc1 32765283 BSAZLQVNYZYHBE-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB Cc1nnc(Nc2cnn(C)c2)c2ccccc12 35781559 KOTJXORIFZDYMG-UHFFFAOYSA-N 239.282 2.415 0 40 BEAB CCOC(=O)c1cc(O)n(-c2ccc(C)cc2)n1 39217150 GEEBHNUHKOPBFQ-UHFFFAOYSA-N 246.266 2.063 0 40 BEAB CN1C(=S)S[C@H]2Cc3ccccc3O[C@@H]21 225392685 DJRNZJLDMXIVHT-UWVGGRQHSA-N 237.349 2.280 0 40 BEAB CO[C@H](CN)c1cccc(Br)c1 43022368 CNINIIWEUVZROX-SECBINFHSA-N 230.105 2.095 0 40 BEAB COc1ccc2c(c1OC)CCCN[C@H]2C 84419414 LRVDXMSDAKEGLI-VIFPVBQESA-N 221.300 2.301 0 40 BEAB O=C(c1ccon1)N1CCC[C@H]2CCC[C@H]21 89885164 CTGCHRKFARXKHM-MWLCHTKSSA-N 220.272 2.079 0 40 BEAB Cc1cn(C(C)C)nc1NCc1cnn(C)c1 256050846 GSERYVFZZQZPJF-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Nc1ccnn1-c1nc2ccccc2s1 45237862 KBFPXKLPVGTJLI-UHFFFAOYSA-N 216.269 2.064 0 40 BEAB O=C(NCCc1ccccc1Cl)C1CC1 67084457 DYNYQQNTTXUVOH-UHFFFAOYSA-N 223.703 2.409 0 40 BEAB NC(=O)Nc1nc2c(Cl)cccc2s1 389900 RZDAGRHJZGTTJK-UHFFFAOYSA-N 227.676 2.440 0 40 BEAB CCOC[C@@H](O)COc1ccc(C)cc1C 193823682 GUBYHAYQENWXAE-GFCCVEGCSA-N 224.300 2.080 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@@H](CO)O2 209934352 ZBJCYZPANVLBRK-FDYHWXHSSA-N 228.332 2.183 0 40 BEAB endogenous,in-man COC(=O)c1ccc2c(c1)C(=O)CCN2C(C)C 1772715255 JQCVEPQLNITQBO-UHFFFAOYSA-N 247.294 2.274 0 40 BEAB CCn1cc(CN(C)C(=O)c2ccco2)c(C)n1 2764689 HVQFRERTTKPEPQ-UHFFFAOYSA-N 247.298 2.077 0 40 BEAB CC[C@@H](SCc1ccco1)C(=O)O 8729634 BGJJRGMDHSZTRI-MRVPVSSYSA-N 200.259 2.376 0 40 BEAB CC(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 378007 HBKGGRWYRVVBDZ-CQSZACIVSA-N 244.269 2.446 0 40 BEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCC1 40489135 WZXVYZDEHLYPFR-UHFFFAOYSA-N 244.216 2.336 0 40 BEAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C)[C@H]1[C@@H]2C 100743943 XECHVXPHGHIOKX-KIJLLGNVSA-N 210.317 2.232 0 40 BEAB biogenic O=C(Nc1ccon1)Nc1ccccc1F 20508112 UUMVHTAACBCYRZ-UHFFFAOYSA-N 221.191 2.458 0 40 BEAB CCC(CC)C(=O)Nc1nnc(COC)s1 204283 SLAACFRZQUKXCU-UHFFFAOYSA-N 243.332 2.059 0 40 BEAB NC(=O)CSc1nc2ccc(Cl)cc2o1 53054 FXSZKYPGLVUVNU-UHFFFAOYSA-N 242.687 2.059 0 40 BEAB Cc1cc(=O)[nH]c(=S)n1-c1ccccc1 174907 KNYHXOFNESFOGH-UHFFFAOYSA-N 218.281 2.204 0 40 BEAB COC(=O)C1=Cc2ccccc2OC=C1 347036 QPRBHKCCWBJKOB-UHFFFAOYSA-N 202.209 2.149 0 40 BEAB Cc1cccc(NC(=O)c2cnsn2)c1 935410 RQAZNYDVWZEFAS-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB O[C@@H](C[n+]1ccccc1)c1c[nH]c2ccccc12 1870646 GBIXMBKNGGDDHG-HNNXBMFYSA-N 239.298 2.189 0 40 BEAB OCCC[C@](F)(Cl)C(F)(F)Cl 2530848 GMPNCXVCFYUFOC-SCSAIBSYSA-N 211.010 2.495 0 40 BEAB C[C@@H](NC(=O)n1ccnc1)c1ccccc1 6187637 LBUGXHLSGRNSOZ-SNVBAGLBSA-N 215.256 2.202 0 40 BEAB in-vitro O=C(NCC1CC1)c1ccc2c(c1)CCC2 13009852 QPKVJVVRULWWAB-UHFFFAOYSA-N 215.296 2.315 0 40 BEAB CCCCNC(=S)Nc1cc(C)ccn1 13227946 SSEUGPZUZSNEBC-UHFFFAOYSA-N 223.345 2.477 0 40 BEAB Cc1ccccc1OC[C@@H](O)CNC(C)(C)C 16758588 BJOVXRRJZMTSML-LBPRGKRZSA-N 237.343 2.123 0 40 BEAB C[C@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1 16972438 JBKLNOYKBRTWAA-JQWIXIFHSA-N 240.347 2.186 0 40 BEAB C[C@H]1CN2CCC[C@H]2CN1Cc1ccccc1F 19575788 NZRKNMWYVXNMMZ-JSGCOSHPSA-N 248.345 2.494 0 40 BEAB CC[C@H](C)c1ccc(NC(=O)C(=O)O)cc1 20204641 LJTGMRFXTVRJOY-QMMMGPOBSA-N 221.256 2.223 0 40 BEAB Nc1ncc(Cc2ccc3c(c2)OCCO3)s1 20284171 FAYZOMGHGABAIS-UHFFFAOYSA-N 248.307 2.087 0 40 BEAB Cc1[nH]c2c(c1C(=O)O)C(=O)CC(C)(C)C2 22127056 ONZHBTSNRCDSCR-UHFFFAOYSA-N 221.256 2.176 0 40 BEAB Cn1c(N)nc2cc(Cl)c(Cl)cc21 28640560 ORDJDFMGHFRKJS-UHFFFAOYSA-N 216.071 2.462 0 40 BEAB Cc1nn(C)c2c(N3CCCC[C@@H]3C)ncnc12 32649414 ABZFAGMPMKZZPU-VIFPVBQESA-N 245.330 2.051 0 40 BEAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCO1 32787627 RBNVSMQLTNSFOS-WOPDTQHZSA-N 225.332 2.203 0 40 BEAB CN1CCC(O)(c2ccc(Cl)s2)CC1 34506246 FLHHORVUWJQDQV-UHFFFAOYSA-N 231.748 2.315 0 40 BEAB Cc1cc(CN)c(C)n1Cc1cccnc1 34936134 WLRMOJPPJSPUNR-UHFFFAOYSA-N 215.300 2.007 0 40 BEAB CCC[C@@H](C)C(=O)NCc1ccnc(N(C)C)c1 40087649 KGSYEIQALLPANR-LLVKDONJSA-N 249.358 2.200 0 40 BEAB COCC(=O)N[C@@H](C)c1cc(C)ccc1C 41302103 UKMXJKHBTCQGAJ-NSHDSACASA-N 221.300 2.127 0 40 BEAB CCc1noc([C@H](C)N2CCC(C)CC2)n1 42651751 VBKDFMFGPDXFJH-JTQLQIEISA-N 223.320 2.425 0 40 BEAB CO[C@@H](CNC(=O)C1CCC1)c1ccccc1 43518557 MEUGKQAPLCMSSI-ZDUSSCGKSA-N 233.311 2.290 0 40 BEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 43545232 OUGFYXRJLGNINV-BDAKNGLRSA-N 225.313 2.104 0 40 BEAB Cc1csc(CNC(=O)Nc2ccncc2)n1 45357226 ACAVYJHBGBHRDQ-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB OCC1CCN(Cc2cccc(F)c2)CC1 46090738 RWNKULCXYQXZFM-UHFFFAOYSA-N 223.291 2.030 0 40 BEAB Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)no1 47464486 CFLCCUJLMSZVKY-RKDXNWHRSA-N 222.288 2.101 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 49122889 UYJAWTNWITUSQU-WPRPVWTQSA-N 233.315 2.369 0 40 BEAB COCCN1CCc2sccc2[C@@H]1C 53421708 YJQAVUUHZGLWSX-VIFPVBQESA-N 211.330 2.314 0 40 BEAB N[C@@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 54932935 YNTCCJKZJKQWFA-GHMZBOCLSA-N 213.227 2.223 0 40 BEAB CC[C@@](C)(O)c1cc(OC)ccc1OC 55234344 HAROZWHFVXZMEX-GFCCVEGCSA-N 210.273 2.321 0 40 BEAB CCn1nc(C)c2nc(C)nc(NC(C)C)c21 57312579 GNZYIRXNJDEENR-UHFFFAOYSA-N 233.319 2.283 0 40 BEAB CC(C)(C)C(=O)N1CCC(Cn2cccn2)CC1 62131052 QGAQUZNWPMTOQN-UHFFFAOYSA-N 249.358 2.168 0 40 BEAB Fc1ccccc1-c1nc2ncncc2[nH]1 66340260 WSJXIFBIXREODX-UHFFFAOYSA-N 214.203 2.159 0 40 BEAB CC(=O)N1CCC[C@H]1c1cc(N(C)C)cc(C)n1 72187632 HZHVRRKLXOZQHE-AWEZNQCLSA-N 247.342 2.139 0 40 BEAB CN[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207623 MHIYDVMZQYMYAT-VHSXEESVSA-N 230.352 2.144 0 40 BEAB CC(C)[C@@H](N)CCC(=O)Nc1ccccc1 72208131 VVAMJYLFZSRHST-LBPRGKRZSA-N 220.316 2.389 0 40 BEAB CN(C)c1ncccc1[C@@H]1CCCCN1C 72212671 QZVOSAPZSKKLHT-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB O=C(O)c1cc(CCc2ccccc2)on1 78404240 SDGQDSVROZDMPJ-UHFFFAOYSA-N 217.224 2.158 0 40 BEAB NCC1(NCc2ccccc2)CCCCC1 82390058 VKLNIHVWRRQDPR-UHFFFAOYSA-N 218.344 2.438 0 40 BEAB Cc1ccc(CC(=O)O[C@H]2CCSC2)o1 95444285 KBGAECSLEDTDBC-JTQLQIEISA-N 226.297 2.179 0 40 BEAB COC[C@H]1CCN(C(=O)C2CCCCCC2)C1 96417117 DHBDNRLLGDWMFP-LBPRGKRZSA-N 239.359 2.452 0 40 BEAB CCC(=O)COc1nnc(-c2ccccc2)o1 96484678 UIIGXOITMXYXCM-UHFFFAOYSA-N 232.239 2.095 0 40 BEAB Clc1ccc(-n2cc3c(n2)CCNC3)cc1 96510408 GXFCLTWRXUVNKE-UHFFFAOYSA-N 233.702 2.171 0 40 BEAB O=C(O)[C@@H]1CCCN(c2nccc3ccoc23)C1 96517477 FUCMMWJISKKVPC-SNVBAGLBSA-N 246.266 2.129 0 40 BEAB CN1CCN(C(=O)C2CCC2)c2ccccc2C1 98009449 DPSXHYSCZZMEKG-UHFFFAOYSA-N 244.338 2.265 0 40 BEAB O=C1CC(C(F)(F)F)=NN1c1ccccc1F 100407075 BHGWNBUNGDVZDS-UHFFFAOYSA-N 246.163 2.481 0 40 BEAB O=[N+]([O-])/C=C\c1ccc2ccccc2n1 104150331 ROLNDGIVCBCROQ-FPLPWBNLSA-N 200.197 2.482 0 40 BEAB C[C@@H](N)c1ccc(OCC(F)(F)F)nc1 116931064 DBVQWDRJFZMDDL-ZCFIWIBFSA-N 220.194 2.042 0 40 BEAB COC(=O)c1cnc2cccc(OC)c2c1 118284144 GAIRQBVKPXPCST-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2=O 238852863 HLYGBCMBJPUFGL-ULKQDVFKSA-N 239.315 2.269 0 40 BEAB CCc1nc(CN2C[C@@H](C)OC[C@H]2C)cs1 249042096 CTUFYUJCUZYSQS-NXEZZACHSA-N 240.372 2.315 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1cnccc1Cl 252497799 QQODXIPCGBFVFU-BDAKNGLRSA-N 226.707 2.175 0 40 BEAB CC(C)COc1nn(C)cc1Br 256049562 ALGYVCVYFIKWHZ-UHFFFAOYSA-N 233.109 2.217 0 40 BEAB Cc1c[nH]c([C@@H]2CCN(Cc3cc(C)on3)C2)n1 257252611 JVKXSNHWOYOHAX-LLVKDONJSA-N 246.314 2.004 0 40 BEAB CCCCOCc1nn(C)cc1Cl 408715519 VFGZPNAJXLXXNL-UHFFFAOYSA-N 202.685 2.390 0 40 BEAB O=C(N[C@@H]1CCC[C@H]1F)c1cc(C2CC2)on1 585297495 FPSAXWGVQLDJSI-RKDXNWHRSA-N 238.262 2.172 0 40 BEAB CCOc1nc2cccc(F)c2cc1C(=O)O 685937609 UALBJLWFRQULQQ-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB c1ccc(CN2CCC[C@@H]2C2OCCO2)cc1 933907340 LGGFZZWTYVVJIL-CYBMUJFWSA-N 233.311 2.024 0 40 BEAB CCCc1ccc(OCC(=O)O)c(OC)c1 1715739 SJHFMPZUWSVNEN-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB CCOC(=O)CC(=O)Nc1ccc(C)cc1C 4736553 JVPHOWHZKXGLOO-UHFFFAOYSA-N 235.283 2.195 0 40 BEAB COC(=O)c1csc(-c2cccc(CN)c2)n1 11887470 CGFBMESAZILILR-UHFFFAOYSA-N 248.307 2.055 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COC(C)(C)C)C1 12289074 ZBIFCFISTMMDTM-JHJVBQTASA-N 243.391 2.140 0 40 BEAB CSCCC(=O)N1CCc2ccccc2C1 12911841 RQGVPRRKWNKSAI-UHFFFAOYSA-N 235.352 2.324 0 40 BEAB CCOc1cccc(OCC2CCNCC2)c1 14631517 BAFLRVFINJYFBO-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB O=c1ccc(C23CC4CC(CC(C4)C2)C3)n[nH]1 19292553 ABJNVCRNIMOYQG-UHFFFAOYSA-N 230.311 2.238 0 40 BEAB C[C@H]1CCCCN1C(=O)Cc1ccccc1N 20155694 WLJVTUUWJLWODD-NSHDSACASA-N 232.327 2.212 0 40 BEAB Fc1ccccc1-c1noc(C2CCNCC2)n1 20268745 ALLYOASOILGROI-UHFFFAOYSA-N 247.273 2.343 0 40 BEAB O=C1Nc2c(cccc2-c2ccccc2)C1=O 21950699 JBLPOKSPLRNMDC-UHFFFAOYSA-N 223.231 2.488 0 40 BEAB Cc1cc(C)cc(-c2noc(CCC(=O)O)n2)c1 34797592 MKGKGLWPZUZWDX-UHFFFAOYSA-N 246.266 2.371 0 40 BEAB C[C@@H](O)CNCc1ccc2ccccc2c1 35111453 DDUHMBVQFLSDFJ-LLVKDONJSA-N 215.296 2.310 0 40 BEAB COC(=O)C[C@@H](C)NCc1ccc(C)cc1 35748469 MWYNARUHGOETBJ-LLVKDONJSA-N 221.300 2.036 0 40 BEAB N[C@H](Cc1ccccc1)[C@H](O)c1ccccc1 36949519 UAGDEFASIGENRD-HUUCEWRRSA-N 227.307 2.290 0 40 BEAB in-vitro CCOc1ccc(/C=C/C(=O)O)c(F)c1F 38529912 VBDRYDSDLSADTE-GQCTYLIASA-N 228.194 2.461 0 40 BEAB CCN(CC)C(=O)c1cccc(N(C)C)c1 40459425 WEBJEPPQYOPOSL-UHFFFAOYSA-N 220.316 2.235 0 40 BEAB O=C(NCc1ccccn1)c1ccsc1 40462645 BXVQNLPWWSFLIK-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB CCC[C@]1(C)NC(=O)N(Cc2ccccc2)C1=O 47203107 LRGCEQLBESMXDP-AWEZNQCLSA-N 246.310 2.297 0 40 BEAB O=C(CCc1cccnc1)Nc1ccccn1 48333962 STFRFXCPAMFDKE-UHFFFAOYSA-N 227.267 2.048 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 49122895 UYJAWTNWITUSQU-WCBMZHEXSA-N 233.315 2.369 0 40 BEAB CC(C)CN1CC[C@H](c2nc3ncccc3[nH]2)C1 49168804 GQYGZWCYWUYYCS-NSHDSACASA-N 244.342 2.403 0 40 BEAB biogenic,in-vitro Cc1ccc(CN2CCC[C@H]2C(=O)O)cc1C 49669047 WSYFGJAWQDWPAP-ZDUSSCGKSA-N 233.311 2.352 0 40 BEAB CCN(CCO)Cc1ccc(SC)cc1 49754591 PYUIDBCBJJDMQL-UHFFFAOYSA-N 225.357 2.223 0 40 BEAB FC(F)(F)c1ccc(OC[C@H]2CCCN2)nc1 51866261 VCVDDSKWQIVXEI-SECBINFHSA-N 246.232 2.231 0 40 BEAB CNc1sc2c(c1C(=O)OC)CCCC2 62796690 ZVRUNAVGLHMVGU-UHFFFAOYSA-N 225.313 2.455 0 40 BEAB O=C(O)CCc1c(F)ccc(F)c1F 64219854 PRIWFTDRLYXFQT-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB COc1ccnc(N(C)C(C2CC2)C2CC2)n1 65229491 GXMVENLLCXDXTE-UHFFFAOYSA-N 233.315 2.110 0 40 BEAB N[C@@H](c1ccccc1F)C1CCOCC1 68957846 DGANXADFCBHYRG-GFCCVEGCSA-N 209.264 2.252 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCc2cc(C)no2)c1 69592311 AWCYJSSYZUXHEV-NWDGAFQWSA-N 248.330 2.227 0 40 BEAB CCOC(=O)c1cn[nH]c1Cc1ccccc1 71980828 DXKUIBYSTDYGJE-UHFFFAOYSA-N 230.267 2.177 0 40 BEAB CC(C)(O)c1cn(-c2ccccc2Cl)nn1 72160174 HDLSFNGXCWIKEM-UHFFFAOYSA-N 237.690 2.148 0 40 BEAB CC(C)[C@@H](N)[C@H](CC(=O)O)c1ccccc1 72208298 FMIBFCOBLJOMLW-DGCLKSJQSA-N 221.300 2.228 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc(=S)[nH]c1 72216995 STXABURSUDLSFQ-JTQLQIEISA-N 222.313 2.428 0 40 BEAB CNc1cc(C)c(C2=NCCCC2)cn1 72219051 NCHCYCRAGVWEMC-UHFFFAOYSA-N 203.289 2.405 0 40 BEAB CN(C)c1ccc([C@@H](N)c2ccccc2)cn1 72225152 FQNGSQVZLMMCEX-AWEZNQCLSA-N 227.311 2.196 0 40 BEAB N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1 72411158 RZBAYURBQUDRQO-CHWSQXEVSA-N 222.307 2.185 0 40 BEAB O=C1OCc2cccc(Br)c21 82372179 BSKYWJYGAQMPLU-UHFFFAOYSA-N 213.030 2.120 0 40 BEAB Cc1ncsc1CNCCc1ccccn1 84149124 WBKIDCZMCKROBB-UHFFFAOYSA-N 233.340 2.179 0 40 BEAB O=C(NC[C@H]1CO1)c1cc(Cl)ccc1Cl 95096911 YYGIUDSTQSCMPQ-ZETCQYMHSA-N 246.093 2.122 0 40 BEAB Cc1ccnc(N2C[C@H]3CCCC[C@@H]3C2)n1 95408709 AEYJDYWKNNZNCR-VXGBXAGGSA-N 217.316 2.411 0 40 BEAB CCS[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 96301192 PWWQZWAMEDGZJH-LLVKDONJSA-N 249.335 2.380 0 40 BEAB COc1ccsc1C(=O)OCC[C@@H](C)OC 96442912 PRQGOWRAQSIHNM-MRVPVSSYSA-N 244.312 2.339 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@H]1c1ccccc1F 96510181 NNYVFCXRNGPEAP-ONGXEEELSA-N 228.288 2.116 0 40 BEAB NC[C@H]1CCCCN1CCc1ccccc1F 96523596 NLLVJKVMPNGXEI-CYBMUJFWSA-N 236.334 2.181 0 40 BEAB Cc1cc(CN2CCC(c3cn[nH]c3)CC2)no1 97202741 JUQILYJEEYWVDQ-UHFFFAOYSA-N 246.314 2.086 0 40 BEAB Cc1cncc(C(=O)OCc2cncs2)c1 97377077 JLKQSQYKOWCKFL-UHFFFAOYSA-N 234.280 2.204 0 40 BEAB Cc1conc1NC(=O)OCC(F)(F)F 98209998 IYIFDNGDSUGITP-UHFFFAOYSA-N 224.138 2.094 0 40 BEAB C[C@]12CC3CC(NC=O)(C1)C[C@](C)(C3)C2 100092128 NYQWYYMEIBHRSB-QZQSVVMZSA-N 207.317 2.481 0 40 BEAB Cl[C@@]12O[C@@]3(Cl)[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@H]5[C@@H]3[C@@H]61)[C@@H]42 103930072 OIMJINRBJIBPOJ-YHOMHKNYSA-N 229.106 2.275 0 40 BEAB CN1[C@@H]2CC[C@@H]1CC(Oc1ccccc1N)C2 110766793 PTJMOVQHNOPZQW-GHMZBOCLSA-N 232.327 2.273 0 40 BEAB CC[C@H](CC(=O)O)c1cccc(O)c1F 141019639 YFLFJZAWBUZONN-SSDOTTSWSA-N 212.220 2.500 0 40 BEAB CCN(CC)c1ccc2cc(N)c(=O)oc2c1 142881783 HIVZDMLCTCWNFM-UHFFFAOYSA-N 232.283 2.221 0 40 BEAB O=c1c2c(F)cccc2nc(S)n1C1CC1 166580224 VVHHZBUGBAHMDB-UHFFFAOYSA-N 236.271 2.159 0 40 BEAB C/C=C/C=C/COC(=O)c1ccc2nncn2c1 195577859 QMPDAZVTSXIJGF-MQQKCMAXSA-N 243.266 2.018 0 40 BEAB CC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 197339880 RDOSABTYJFSZHQ-CYBMUJFWSA-N 247.294 2.377 0 40 BEAB N[C@H]1C[C@@]12CCOc1ccc(Cl)cc12 218686042 LVIJXJAIZQYJOP-WDEREUQCSA-N 209.676 2.091 0 40 BEAB N[C@H]1CCCC[C@H]1NCc1ccc(F)cc1 218856937 LRGCLQBNHQXGJI-QWHCGFSZSA-N 222.307 2.185 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1ccc(C)cc1 224981300 ININPLQRWSMBMX-NSHDSACASA-N 207.273 2.294 0 40 BEAB C1CCC(N2CCN[C@@H]3CCC[C@@H]32)CC1 242495519 GHGZLQZVXKLYNC-OLZOCXBDSA-N 208.349 2.145 0 40 BEAB Cc1nn(C(C)C)cc1CNC[C@@H]1CCCO1 256053514 RSRNQNZHZRRDDW-ZDUSSCGKSA-N 237.347 2.041 0 40 BEAB COC(=O)c1ccccc1C(=O)CCSC 390460473 BXEOVTTUPROONN-UHFFFAOYSA-N 238.308 2.409 0 40 BEAB Cc1cc(C)c2c(n1)sc1c(=O)n(C)cnc12 157390 REXLXKBWRXZWEQ-UHFFFAOYSA-N 245.307 2.160 0 40 BEAB CC(C)CC(=O)Nc1ccc(C(=O)O)cc1 239153 ZOQRJGXJOBCVTD-UHFFFAOYSA-N 221.256 2.369 0 40 BEAB O=C(c1c[nH]c2ccccc12)N1CCCC1 1399486 RHAGDVZHRHJRRZ-UHFFFAOYSA-N 214.268 2.404 0 40 BEAB in-vitro O=CNc1cccc2c1-c1ccccc1C2=O 1699694 MUKYUPMSWNFLPZ-UHFFFAOYSA-N 223.231 2.466 0 40 BEAB Cn1cccc1CNCCc1ccc(F)cc1 2178160 ROGKOAGYWALUMD-UHFFFAOYSA-N 232.302 2.497 0 40 BEAB aggregator COC[C@H](C)NC(=O)c1ccc(Cl)cc1 2800921 TZOFBJFVVRELPS-QMMMGPOBSA-N 227.691 2.105 0 40 BEAB CC[C@@H]1CCCCN1Cn1ncn(C)c1=S 3258032 JCNYQOWOBBKXFK-SNVBAGLBSA-N 240.376 2.173 0 40 BEAB O=C(O)c1ccccc1[C@H](O)c1ccccc1 3321974 QILGRFFFTBOYJX-CYBMUJFWSA-N 228.247 2.467 0 40 BEAB in-vitro Cc1nc2scc(CC(C)C)c2c(=O)[nH]1 3331406 MREJIJQDZYRKBA-UHFFFAOYSA-N 222.313 2.492 0 40 BEAB FC(F)(F)c1cnc(-c2ccncc2)[nH]1 4086207 FUQVCTWCKFGEPE-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB CCCCCNC(=O)COc1ccccc1 5308778 TXNQPYBXIVYRLL-UHFFFAOYSA-N 221.300 2.372 0 40 BEAB Cc1ccc(-c2ccc(=O)n(C)n2)cc1C 5401468 QNXFTCHERXPJPF-UHFFFAOYSA-N 214.268 2.064 0 40 BEAB CC(=O)C1=C(C)SC2=NCCCCN21 6348359 BYNDIUGMVXNGPS-UHFFFAOYSA-N 210.302 2.006 0 40 BEAB Cc1sc(S)n[n+]1-c1ccccc1 11525684 NEMRWKRNANJMRK-UHFFFAOYSA-O 209.319 2.017 0 40 BEAB c1ccc(OCCOC[C@H]2CCCNC2)cc1 19472837 MLHRLAVHOYKAPP-ZDUSSCGKSA-N 235.327 2.082 0 40 BEAB CN1CCC(N(C)c2ccccc2C=O)CC1 20079080 ACKDRESIRKZHFY-UHFFFAOYSA-N 232.327 2.030 0 40 BEAB C[C@H](N)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 20594531 VTBIATVXDXCNEC-TVYUQYBPSA-N 204.317 2.203 0 40 BEAB COc1ccc(OC)c2c1C[C@H](C)C2=O 21989867 PJJMKVJLFRGNKC-ZETCQYMHSA-N 206.241 2.079 0 40 BEAB O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1 28631595 NXQCGNFXEWOTSE-UHFFFAOYSA-N 211.604 2.350 0 40 BEAB CN(C)C(=O)[C@H](c1ccccc1)N1CCCCC1 32751251 POVYHAGHFBTFEE-AWEZNQCLSA-N 246.354 2.302 0 40 BEAB Cn1c(C=O)nc2c(Br)cccc21 32915059 ASNYHGBIYZZGDU-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB O=C(O)c1cn(-c2cccc(Cl)c2)cn1 34212113 HHWKHAWQTUZKNW-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro O=Cc1c(Cl)ncn1-c1ccccc1 36390468 DBRVGFJNURHKIT-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB COc1cc(CNC(=O)c2cccs2)ccn1 36394623 ARUGFYIYNQUIKY-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB COCCc1ccc(OCCCC(=O)O)cc1 36969777 WFFRLSRZHMIYGB-UHFFFAOYSA-N 238.283 2.119 0 40 BEAB in-vitro C[C@@H](O)Cc1cccc(Br)c1 37465461 BDJVSZKLVVTCKZ-SSDOTTSWSA-N 215.090 2.372 0 40 BEAB COC(=O)c1cc2ccc(C(F)(F)F)nc2[nH]1 37593616 NTGSANHPXZCAHT-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB CCNCc1cccc(OCC(F)F)c1 37755490 REHWZMJVCQGZTQ-UHFFFAOYSA-N 215.243 2.440 0 40 BEAB Nc1nc(Cl)cc(N2CCc3ccccc32)n1 40067417 PYAJMTRGVPNWOP-UHFFFAOYSA-N 246.701 2.406 0 40 BEAB Cc1nn(-c2nccnc2Cl)c(C)c1C 43538420 IISKQJIDTJMRIZ-UHFFFAOYSA-N 222.679 2.241 0 40 BEAB CCn1cc(NC(=O)NC2CCCCC2)cn1 43644910 DBWQAVDCWMQVPY-UHFFFAOYSA-N 236.319 2.357 0 40 BEAB O=C(O)CCc1ncc(-c2ccccc2F)o1 50107328 QDFMTZISEJIKQK-UHFFFAOYSA-N 235.214 2.498 0 40 BEAB CCc1nnc(CN2C[C@@H](C)C[C@@H](C)C2)o1 54114974 GLHJWFFFELRAHW-AOOOYVTPSA-N 223.320 2.110 0 40 BEAB Cc1ccc(F)c2c1ncc1c(O)n[nH]c12 64874847 OIKUNKGSZYQRKC-UHFFFAOYSA-N 217.203 2.264 0 40 BEAB CC[C@@H](C(=O)N1CCN[C@@H](C)C1)c1ccccc1 67800418 MORJXNXBCOPEET-GXTWGEPZSA-N 246.354 2.001 0 40 BEAB CC[C@@H](NC)[C@H]1CCCN1C(=O)OC(C)(C)C 72207651 WWMPDIOQYHCOOR-GHMZBOCLSA-N 242.363 2.384 0 40 BEAB O=Cc1cccn1CC(=O)Nc1cccc(F)c1 72331915 OOPOWJHMUSNIKT-UHFFFAOYSA-N 246.241 2.078 0 40 BEAB Cc1nccn1-c1cccc([C@@H]2CCCNC2)n1 72344157 IWAXLLIJRVKGKT-GFCCVEGCSA-N 242.326 2.043 0 40 BEAB CCOc1ccc(Cc2nnc(S)[nH]2)cc1 75411636 KXOBAWKPFMTEBK-UHFFFAOYSA-N 235.312 2.083 0 40 BEAB C[C@H](N)c1nc(-c2ccc(O)cc2O)cs1 83363301 VWFUHXKOUKEEIP-LURJTMIESA-N 236.296 2.241 0 40 BEAB C[C@@H](Cn1cccn1)OC(=O)c1cccs1 83798600 VIUQGXWZXLZDDW-VIFPVBQESA-N 236.296 2.190 0 40 BEAB CCCNCc1cccn1CCCOC 85583581 CKWYTJOGMKYJJW-UHFFFAOYSA-N 210.321 2.024 0 40 BEAB Cc1ccc(C(=O)CC2OCCO2)c(C)c1 85652255 XWENOTPRHBZWPR-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB CC(C)(C)CC(=O)NC[C@H]1CCCS1 89642991 WBJOONKJWGYQMA-SECBINFHSA-N 215.362 2.434 0 40 BEAB CC1(C)C(CNc2nccnc2C(=O)O)C1(C)C 92832911 GLIQIGYALHWUIW-UHFFFAOYSA-N 249.314 2.269 0 40 BEAB C[C@@H](CSC(C)(C)C)NCc1ccnn1C 95420176 UIRCCSAIFXRONA-JTQLQIEISA-N 241.404 2.430 0 40 BEAB O=c1[nH]c2c(Br)cccc2s1 96068391 JOFGIHYTADMYMX-UHFFFAOYSA-N 230.086 2.352 0 40 BEAB Cc1ccc(CN2CCCC[C@H]2CN)cc1F 96320095 YSUGNFZYKJKBSM-ZDUSSCGKSA-N 236.334 2.447 0 40 BEAB CCCCn1c(O)nc(Cl)c(Cl)c1=O 96524093 JXYWPWHQOWWKMI-UHFFFAOYSA-N 237.086 2.056 0 40 BEAB CCN(CC)CCN[C@@H]1CCCC[C@H]1C 97050797 JCWCSKATCIVJMM-CHWSQXEVSA-N 212.381 2.497 0 40 BEAB C[C@@H]1C[C@@H]1CN1CCC[C@H](n2cccn2)C1 97105424 DGNVTCBDABDRFN-UPJWGTAASA-N 219.332 2.176 0 40 BEAB N[C@H]1CC[C@H](NCc2ccc(F)cc2)CC1 100178666 IMQSVMRDSKAKKO-BETUJISGSA-N 222.307 2.185 0 40 BEAB C[C@@H]1[C@@H]2CC[C@]1(c1ccccc1)C(=O)O2 100740831 LNMNSKLQCMUAGQ-CDMKHQONSA-N 202.253 2.280 0 40 BEAB CC(C)C[C@@H](CO)N[C@H]1C[C@H]2CC[C@H]1C2 101617191 GGASHPDUNHTKNF-CYDGBPFRSA-N 211.349 2.172 0 40 BEAB Cc1cc2nc(Cc3ccccc3)cc(O)n2n1 102673493 JBSVFAZKMRDFRC-UHFFFAOYSA-N 239.278 2.334 0 40 BEAB O=C(O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1F 218688875 SLQSPHHAZOAQAM-RITPCOANSA-N 216.158 2.292 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1cccc(C)c1 224980983 MWEKMHKTPBSXIL-NSHDSACASA-N 207.273 2.294 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](O)C[C@@H]2C1 238112362 NUGMELYNLSUXDH-GMTAPVOTSA-N 241.331 2.014 0 40 BEAB C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]1O 253428818 BJJOFAZSCNMHQT-HONMWMINSA-N 237.318 2.260 0 40 BEAB COc1ccc(C2=C(Cl)COC2=O)cc1 256050102 CRGGUHABIKIRHV-UHFFFAOYSA-N 224.643 2.202 0 40 BEAB CC(C)NC(=O)c1ccc(-c2cncs2)nc1 257311706 UKROSLTUTURCMP-UHFFFAOYSA-N 247.323 2.343 0 40 BEAB Cc1nnc(N(C)CCCOc2ccccc2)o1 283447667 DJVOKWLRPCZYHF-UHFFFAOYSA-N 247.298 2.283 0 40 BEAB CC1(C)CC(CN(CC(=O)O)C2CCC2)C1 530165167 GHSWDTIFZWGNIY-UHFFFAOYSA-N 225.332 2.362 0 40 BEAB CC(C)Nc1cc(C(F)(F)F)ncn1 575606323 IJYFWZVQIBBUMX-UHFFFAOYSA-N 205.183 2.316 0 40 BEAB CN(Cc1ccc(F)cc1F)[C@@H]1CCC[C@@H]1O 708559308 PBTUSIUBOUKAQY-OLZOCXBDSA-N 241.281 2.310 0 40 BEAB O=C(NC12CCC(CC1)C2)[C@H]1C[C@@H]1C1CC1 784359176 MLPQEJMTQAOBDY-XDEUPMGRSA-N 219.328 2.481 0 40 BEAB CC1(C)O[C@H]2Cc3ccccc3C[C@@H]2O1 345581 BVOIEXZNCZPVRO-RYUDHWBXSA-N 204.269 2.305 0 40 BEAB CNc1nc(Cl)cc2nc(Cl)cn12 1705589 RDHFTWDLPIVXIK-UHFFFAOYSA-N 217.059 2.078 0 40 BEAB OCC(CO)=C1c2ccccc2-c2ccccc21 1727039 KMMFKFIIPJTKNE-UHFFFAOYSA-N 238.286 2.454 0 40 BEAB CC1(C)CCC(=O)N(c2ccccc2)C1=O 2187250 WMACAISSTVTPEW-UHFFFAOYSA-N 217.268 2.366 0 40 BEAB Cc1[nH]c2c(F)ccc(C)c2c1CCN 5614106 DAGRHVFDJBPRRZ-UHFFFAOYSA-N 206.264 2.425 0 40 BEAB CCCCCCNc1ncc(C(=O)O)cn1 8730921 QHFWLGMOXHBNRU-UHFFFAOYSA-N 223.276 2.167 0 40 BEAB CCNC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 9378289 KFQMABFPJXFADR-QMMMGPOBSA-N 249.339 2.180 0 40 BEAB CN(C)CCOc1ccc(C(F)(F)F)cc1N 14629440 QPDDGJVGQBJBFD-UHFFFAOYSA-N 248.248 2.228 0 40 BEAB CCOc1ccc(OC2CCNCC2)cc1 14631929 IMMYIIWARZZAFP-UHFFFAOYSA-N 221.300 2.216 0 40 BEAB NC(=O)Nc1ccccc1C(F)(F)F 19398864 PARAGKZGYKOQSN-UHFFFAOYSA-N 204.151 2.196 0 40 BEAB O=C(c1cc(F)ccc1F)C1CCNCC1 19415797 INRALMPDEWIMBO-UHFFFAOYSA-N 225.238 2.147 0 40 BEAB in-vitro COc1ccc([C@H]2CSCCN2)c(F)c1 19702795 HITWLKVEPQKCHO-LLVKDONJSA-N 227.304 2.212 0 40 BEAB Nc1cncc(-c2nc3ccccc3[nH]2)c1 20272707 VIGYZEIIHKKPLU-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vitro O=C(CCc1ccco1)NCc1ccco1 23735086 JRVRZKOTYFJXKZ-UHFFFAOYSA-N 219.240 2.122 0 40 BEAB Cc1ccccc1C(=O)Nc1cn(C)nc1C 32610272 JLBSTXNXYYULIH-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB COc1ncccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 32755227 ZJERAJQFPKEIEM-GHMZBOCLSA-N 248.326 2.208 0 40 BEAB CCCN1CC2CC(C1)CN(CCC)C2 34891800 VYWAELGYEIUVKY-UHFFFAOYSA-N 210.365 2.060 0 40 BEAB in-vitro CN(CC(=O)O)Cc1cccc(C(F)(F)F)c1 35304361 CVBWVTRGBRTHJD-UHFFFAOYSA-N 247.216 2.222 0 40 BEAB C[C@@H](CC(=O)O)N1CCCc2ccccc21 35752079 IJMJLAWKVGWSMG-JTQLQIEISA-N 219.284 2.302 0 40 BEAB in-vitro O=C(c1ccco1)N(Cc1cccnc1)C1CC1 36397194 OVFGQGGPDNRYFX-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB Cc1ccccc1[C@](C)(C(=O)O)N1CCCC1 37359919 PKMJIMRMMAJLAM-CQSZACIVSA-N 233.311 2.391 0 40 BEAB CCCc1cc(=O)[nH]c(-c2ccccc2)n1 37409035 KRSOVLHLLUQZRA-UHFFFAOYSA-N 214.268 2.389 0 40 BEAB in-vitro CCC(=O)[C@H]1CCc2ccccc2C1=O 43651298 RPFZFVUKQMJQBZ-LLVKDONJSA-N 202.253 2.411 0 40 BEAB Cc1cc(Br)nc(Cl)c1N 44137423 UURSCSIEXFAVSF-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB in-vitro CC[C@@H](O)CN[C@@H](C)c1cc(C)oc1C 44730410 VOQRIHVRYXECJE-GXSJLCMTSA-N 211.305 2.318 0 40 BEAB Cc1cc(NN)nc(Nc2ccc(C)c(F)c2)n1 44845955 UPEVEHIHBMRIIJ-UHFFFAOYSA-N 247.277 2.262 0 40 BEAB Cc1nc(CN(C)C2CCCCC2)no1 51127545 DDGKNJPUGIESQL-UHFFFAOYSA-N 209.293 2.143 0 40 BEAB Nc1ncc(CNC2CCCCCCC2)cn1 62717388 CFCVMNXOQTVBJZ-UHFFFAOYSA-N 234.347 2.261 0 40 BEAB CCC(C)(C)NC(=O)CN(CC(C)C)C1CC1 69325937 HIPUDHQCJFAUGN-UHFFFAOYSA-N 240.391 2.412 0 40 BEAB CC[C@H](O)c1cnc(NC2CC2)cc1C 72223812 ABNCBGAMMBPZIO-NSHDSACASA-N 206.289 2.408 0 40 BEAB Cc1oc(Br)c(C)c1C(=O)O 84230121 BCVMFQGNASXNMW-UHFFFAOYSA-N 219.034 2.357 0 40 BEAB CC[C@H](C)[C@@H](CO)Nc1ncccc1F 84487537 CXGLKRWJIIHZHE-WCBMZHEXSA-N 212.268 2.040 0 40 BEAB O=C(O)c1cc(-c2ccc(F)c(F)c2F)on1 84935306 MEBOUBLTJXBIPX-UHFFFAOYSA-N 243.140 2.457 0 40 BEAB NC(=S)Nc1cccc(CN2CCCCC2)c1 85389685 MUHTUDCIEHZSHX-UHFFFAOYSA-N 249.383 2.328 0 40 BEAB O=C(O)C1(Oc2ccc(Cl)cc2)CC1 85392773 BVOVUSTVSOEJLN-UHFFFAOYSA-N 212.632 2.336 0 40 BEAB in-vitro CCc1ccccc1C(=O)OCc1nccn1C 91109298 HLRCEWIZIRPMDP-UHFFFAOYSA-N 244.294 2.340 0 40 BEAB FC(F)(F)Oc1cccc(COC2CNC2)c1 96302485 WHCKOCXAAGNKRI-UHFFFAOYSA-N 247.216 2.074 0 40 BEAB O=C(O)c1cc(OC2CCCCC2)no1 96529595 FYBTZIUYBBNAGB-UHFFFAOYSA-N 211.217 2.084 0 40 BEAB Cc1cccc(C(=O)N[C@H](C)c2ncon2)c1F 97047497 RLFFZQSESNPAHD-MRVPVSSYSA-N 249.245 2.008 0 40 BEAB c1csc(CCOn2nnc3ccccc32)c1 97103777 XUBCNYUQKGEQLR-UHFFFAOYSA-N 245.307 2.164 0 40 BEAB c1ncn(Cc2csc(C3CCCC3)n2)n1 98012705 AVIUTZDYUYLREA-UHFFFAOYSA-N 234.328 2.441 0 40 BEAB CC(=O)O[C@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H]2[C@H]2C=C[C@H]1C2 100811141 ODYDQOOXSVNMCJ-YDQFZURESA-N 218.296 2.396 0 40 BEAB O=C(O)[C@H]1CCCN[C@H]1C1CCCCC1 107470338 CBOZOKCIVVNMIY-QWRGUYRKSA-N 211.305 2.020 0 40 BEAB Cc1ccc(CN(C)[C@H]2C[C@@H](C)OC2=O)cc1 107569436 JGXXCINWJJLPKY-YPMHNXCESA-N 233.311 2.131 0 40 BEAB C[C@@H](NC[C@@H]1CCCO1)c1ccccc1N 225817050 HSDABBKNINJUIG-MNOVXSKESA-N 220.316 2.098 0 40 BEAB CC(C)n1c(Cl)nc2cc(C(N)=O)ccc21 225986415 LIUUIRCZRLOTRJ-UHFFFAOYSA-N 237.690 2.370 0 40 BEAB Cc1cccn1Cc1ccc(C(=O)O)o1 226032235 GLQLNFGQDJWVAQ-UHFFFAOYSA-N 205.213 2.136 0 40 BEAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1CF 294153731 RRQCLMVUYWZSAP-WDEREUQCSA-N 211.280 2.303 0 40 BEAB COc1ccc(C(F)(F)F)c(CC(=O)O)c1 309324571 PWJMIBAMJFDDMY-UHFFFAOYSA-N 234.173 2.341 0 40 BEAB CCc1sc(-c2cccnn2)nc1C 887276850 AQMITXKETXOQPU-UHFFFAOYSA-N 205.286 2.471 0 40 BEAB O=c1oc2ccc(Br)cc2o1 396952 UQWVVWRKDLHZCR-UHFFFAOYSA-N 215.002 2.149 0 40 BEAB CCC[C@@](C)(NC(=O)c1ccccc1)C(=O)O 2045935 MCEIPKQWJUSRND-CYBMUJFWSA-N 235.283 2.060 0 40 BEAB C[C@@H]1C[C@@H](C)C(=O)N(c2ccccc2)C1=O 2187252 MOBMIENCLDTUDW-NXEZZACHSA-N 217.268 2.222 0 40 BEAB CNC[C@@H]1CCCC[C@@]1(O)c1cccc(OC)c1 2510775 VUMQHLSPUAFKKK-DZGCQCFKSA-N 249.354 2.292 0 40 BEAB biogenic,world Cn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21 2741157 ZRNPXQPHFKTLMJ-UHFFFAOYSA-N 239.225 2.077 0 40 BEAB Nc1nncc(-c2cc(Cl)ccc2Cl)n1 4298965 LRPJNRNMMDWCBM-UHFFFAOYSA-N 241.081 2.428 0 40 BEAB Cc1ccc2nc(CCCC(=O)O)[nH]c2c1 5818386 GUDKLOGDDMOAHG-UHFFFAOYSA-N 218.256 2.279 0 40 BEAB CCc1nonc1NC(=O)c1ccc(C)cc1 6743392 ZPNUAPAQDAZMBT-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB COc1ccc(OCC(C)(C)C(=O)O)cc1 8730686 UGOYRVJJYNIYBP-UHFFFAOYSA-N 224.256 2.185 0 40 BEAB Fc1ccc(OC[C@@H]2CCCNC2)cc1F 14631331 UCJMEWZREBHROG-SECBINFHSA-N 227.254 2.343 0 40 BEAB in-vitro Cc1cc(C)c(C)c(O[C@H]2CCNC2)c1 14632136 KGIUAQLBDYDCMJ-LBPRGKRZSA-N 205.301 2.353 0 40 BEAB c1ccn2c(CCNC3CCCCC3)nnc2c1 20128261 FKXAXZGOESSBLI-UHFFFAOYSA-N 244.342 2.194 0 40 BEAB Cc1nc2ocnc2cc1Br 26460295 BEWVCWCXAKFSDR-UHFFFAOYSA-N 213.034 2.294 0 40 BEAB COc1ccc2c(c1)[C@H](C(=O)O)CCC2 31889183 WJNRAOKRAWFGFS-SNVBAGLBSA-N 206.241 2.200 0 40 BEAB in-vitro CC[C@H](N)c1nc(-c2ccccc2)c[nH]1 36872534 VNMNNUSKIAXVAQ-JTQLQIEISA-N 201.273 2.487 0 40 BEAB in-vitro NCCNCc1cccc(Cl)c1Cl 37712595 WFHVJSSPKJFOOO-UHFFFAOYSA-N 219.115 2.042 0 40 BEAB C[C@@](NCc1ccccc1)(C(=O)O)C1CC1 37952302 HCWZUZJMLLWUHD-ZDUSSCGKSA-N 219.284 2.030 0 40 BEAB CC(C)N(CC(=O)O)Cc1ccsc1 37994738 SWWQIKIOAOKRBF-UHFFFAOYSA-N 213.302 2.043 0 40 BEAB Cc1csc(S[C@H]2C[C@@H](C)OC2=O)n1 40462989 WESVSHWUCCCNND-RQJHMYQMSA-N 229.326 2.248 0 40 BEAB COCCN(Cc1cccs1)C(=O)C1CC1 40473047 PUDAYFCGGBMFGE-UHFFFAOYSA-N 239.340 2.133 0 40 BEAB Cc1nc(CCC(=O)N2CCCCC2)cs1 41191285 ILWKDKNFPIHVFA-UHFFFAOYSA-N 238.356 2.397 0 40 BEAB CN(C(=O)Nc1nncs1)C1CCCCC1 43130600 MWBMORCICQXEPG-UHFFFAOYSA-N 240.332 2.335 0 40 BEAB Cc1c(F)cccc1NCc1ncc[nH]1 43320491 HGQONYHNFRSXKY-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB Fc1cnc2c(Br)c[nH]c2c1 44700085 MTPXSCMRHTVSQA-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CCSc1ccccc1NC(=O)COC 55704231 OHUCXGWBPGRXHG-UHFFFAOYSA-N 225.313 2.384 0 40 BEAB CC(=O)N[C@@H](C)c1cnn(-c2ccccc2)c1C 58314446 ZTWBOEFHVMJFIG-JTQLQIEISA-N 243.310 2.378 0 40 BEAB CCCOc1cccc2c1cnn2C(C)=O 59691141 CYJKSMGHNXNNSU-UHFFFAOYSA-N 218.256 2.485 0 40 BEAB c1nc(N2CCCC2)ncc1CNC1CCCC1 62717793 UVAKHZXLEOJYDS-UHFFFAOYSA-N 246.358 2.109 0 40 BEAB Cn1cccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 67502785 ZWVWZXPQMQQUBT-QWHCGFSZSA-N 240.306 2.311 0 40 BEAB Cc1ccc(C(=O)NCCCCC(=O)O)c(C)c1 70198135 RPMBEXPPEKISNP-UHFFFAOYSA-N 249.310 2.288 0 40 BEAB Nc1ccccc1C(=O)NOCc1ccccc1 70286739 JIULMCVCTUWNRY-UHFFFAOYSA-N 242.278 2.130 0 40 BEAB C[C@H](Cn1ccc(N)n1)c1ccccc1 71978672 QGMBINQJGLSADF-SNVBAGLBSA-N 201.273 2.269 0 40 BEAB CC[C@@H](O)c1ccc(N2CCCC2)nc1 72225431 VVRSJRZPMBOKBO-LLVKDONJSA-N 206.289 2.125 0 40 BEAB O=c1[nH]c2ncccc2n1C1CCCCC1 72319825 RXPGJEKERBHADP-UHFFFAOYSA-N 217.272 2.230 0 40 BEAB CNc1cc(C[C@H]2CCCN(C(C)C)C2)ncn1 72356987 ANCBIONJYYCODZ-GFCCVEGCSA-N 248.374 2.181 0 40 BEAB c1cc([C@@H]2CCCN(c3cnccn3)C2)ccn1 72357094 RRMNJGSDYXJVCZ-CYBMUJFWSA-N 240.310 2.256 0 40 BEAB c1ccc(CN(C[C@H]2CCNC2)C2CC2)cc1 79437990 LXGNUKBPISEFSE-AWEZNQCLSA-N 230.355 2.261 0 40 BEAB N[C@@H](c1cncc(Br)c1)C1CC1 84191779 UTZPXWHGEBKSKC-SECBINFHSA-N 227.105 2.254 0 40 BEAB in-vitro Cc1occc1-c1nc(-c2cnccn2)no1 84510438 LHLOICTXFBAIKF-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB COc1ccc2c(c1)[C@@]1(CCC2)CCN1 86119567 MXUXSPANGDUUPB-CYBMUJFWSA-N 203.285 2.220 0 40 BEAB Cc1ccnc(N2C[C@H]3CCC[C@H]3C2)n1 89701907 ZOMOKNZEZLLUDF-PHIMTYICSA-N 203.289 2.021 0 40 BEAB O=C(CC1CCNCC1)OCc1ccccc1 93679726 SINAXRLQVIULMJ-UHFFFAOYSA-N 233.311 2.120 0 40 BEAB CN1CCN(C(=O)C2(C)CC2)c2ccc(F)cc21 95966118 FYKHBFGQAFWAIL-UHFFFAOYSA-N 248.301 2.409 0 40 BEAB CC[C@@](CNC(=O)C1CC1)(OC)c1ccccc1 96123678 MGVPUMZNSIERGT-HNNXBMFYSA-N 247.338 2.465 0 40 BEAB Cc1cc2c(c(C)c1Cl)OC(=O)CN2 96341563 YPNIQJHBFNYCHF-UHFFFAOYSA-N 211.648 2.288 0 40 BEAB CCN1CCc2ncc(Br)cc2C1 96515764 CRVHSJMZBIUZQL-UHFFFAOYSA-N 241.132 2.222 0 40 BEAB c1ccc(CCCN2CCn3ccnc3C2)cc1 97201240 LRILHVBYCRREAU-UHFFFAOYSA-N 241.338 2.332 0 40 BEAB CO/C=C(/F)C(=O)Nc1cccc(C)c1 98175026 PNOVXKXOWHSWGR-JXMROGBWSA-N 209.220 2.391 0 40 BEAB NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100006534 TZWXPIKAEAYGPF-KBPBESRZSA-N 216.328 2.141 0 40 BEAB CNC(=O)/C=C1/N(C)c2ccccc2C1(C)C 103440739 YDSKPJFCHXBLLX-FMIVXFBMSA-N 230.311 2.044 0 40 BEAB C[C@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@H]2N1 110751066 VDOFOLSTKIOEDA-HLUHBDAQSA-N 217.316 2.203 0 40 BEAB Cc1cc(Br)c2[nH]c(=O)oc2c1 150239928 VTBRHJJBKKRQBP-UHFFFAOYSA-N 228.045 2.192 0 40 BEAB CCNC(=O)c1ccc(N[C@H](C)CC)c(N)c1 213354125 MHGISIMQLBFTDS-SECBINFHSA-N 235.331 2.229 0 40 BEAB CN1C[C@@H](N)[C@H](c2cccc3ccccc23)C1 217661716 ZFXMGGNUDJFQJW-LSDHHAIUSA-N 226.323 2.196 0 40 BEAB Cc1cc(CO)c(C)n1-c1nccs1 223718954 UFDVSRGFMGAZQK-UHFFFAOYSA-N 208.286 2.043 0 40 BEAB C[C@H]1C[C@@H]2[C@@H](CO)C[C@H](C(F)(F)F)C[C@H]2O1 225761382 ABUHJJZZXMNMQT-SQXHDICFSA-N 238.249 2.361 0 40 BEAB C[C@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](CO)[C@@H]12 225761523 VQLQJLNARBICNV-RXKWGBCNSA-N 238.249 2.218 0 40 BEAB CCNc1ccc(N2CCOCC2)c(C)c1 226284734 RREHTRIUHGPLQG-UHFFFAOYSA-N 220.316 2.263 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](CO)C[C@@H](C(F)(F)F)C[C@H]2O1 242390170 ABUHJJZZXMNMQT-JDDHQFAOSA-N 238.249 2.361 0 40 BEAB O=C(CCc1ccccn1)C(F)(F)F 257197495 BFNBZUWOWGJKQF-UHFFFAOYSA-N 203.163 2.146 0 40 BEAB CCC(=O)c1c[nH]c2ccccc2c1=O 685937794 RVKUWKLGWVWHIQ-UHFFFAOYSA-N 201.225 2.121 0 40 BEAB O[C@@H](CSc1cccs1)CN1CCCC1 160142 IRUHWTMTUBNYIU-SNVBAGLBSA-N 243.397 2.297 0 40 BEAB CC[C@H](C(=O)NC1CC1)c1ccccc1 1480332 BRLNPWGINYASHE-LBPRGKRZSA-N 203.285 2.459 0 40 BEAB NC(=O)CSCc1nc2ccccc2s1 3442016 CBEWKNGZOKSHHF-UHFFFAOYSA-N 238.337 2.015 0 40 BEAB c1ccc(COn2nnc3ccccc32)cc1 6864233 LNSUYGWECNYHGG-UHFFFAOYSA-N 225.251 2.060 0 40 BEAB CCc1cccc(C)c1Nc1nc(=O)c(C)n[nH]1 8744512 PNOSHZPNMKTTCE-UHFFFAOYSA-N 244.298 2.088 0 40 BEAB CCOC(=O)/C=C(/N)c1c(C)[nH]c2ccccc12 13284761 RQHHYENZFCUVLS-DHZHZOJOSA-N 244.294 2.339 0 40 BEAB Cc1cccc(C2(C(=O)O)CCOCC2)c1 13483683 UIMHVEDXEBDFFT-UHFFFAOYSA-N 220.268 2.128 0 40 BEAB NC(=O)/C=C/c1csc2ccccc12 17020371 JJBNYLKFGGHRCW-AATRIKPKSA-N 203.266 2.400 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(N)c(C)c1 20195092 UZIZWARRXCEWFQ-VIFPVBQESA-N 206.289 2.106 0 40 BEAB in-vitro OC1=Nc2n[nH]cc2[C@@H](c2ccncc2)SC1 20721074 KAMBEVHECMHMDU-SNVBAGLBSA-N 246.295 2.229 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(Cn2cccn2)o1 28576839 LCRBXKMFKOKZAC-SNVBAGLBSA-N 247.298 2.053 0 40 BEAB Cc1ccc(CNc2ncnc3[nH]cnc23)s1 32520268 XMQUVLSKNOPYHE-UHFFFAOYSA-N 245.311 2.335 0 40 BEAB CN(C)c1ccccc1I 33505652 DDQWSLFKVLTRDN-UHFFFAOYSA-N 247.079 2.357 0 40 BEAB CCOCCNCc1ccc(F)c(F)c1 36228635 XFOHJDMUBCTQCW-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB O=C1NC(=O)/C(=C/Nc2ccc(F)cc2)S1 36636136 OKQPMFZEAISTAP-YVMONPNESA-N 238.243 2.062 0 40 BEAB Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(N)c1 37401120 PZXZVDPNQRDPIG-GHMZBOCLSA-N 220.316 2.191 0 40 BEAB C[C@@H](Nc1ccccc1CO)c1cc[nH]n1 37908140 OKQYLHVQCLQOQV-SECBINFHSA-N 217.272 2.075 0 40 BEAB N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)O 38478229 VOINSBLLXKDEJC-SECBINFHSA-N 247.216 2.050 0 40 BEAB in-vitro CC[C@@H](Sc1ccccn1)C(=O)OC 40024279 QWYJDNJPTOLXRC-MRVPVSSYSA-N 211.286 2.125 0 40 BEAB Nc1cnn(-c2ncc(Cl)cc2Cl)c1 40516428 SPTWIADVPOGCGX-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB in-vitro O=C1Cc2c(Cl)cc(Cl)cc2N1 43220563 JYYCEJLNDXFTLJ-UHFFFAOYSA-N 202.040 2.488 0 40 BEAB Cc1cc(NC(=O)N[C@H](C)c2ccncc2)no1 44889565 USBXWOBIOJHSID-SECBINFHSA-N 246.270 2.261 0 40 BEAB CN(C)C(=O)Cc1c(F)cccc1Cl 47651518 QEYLGHSMLVEDOI-UHFFFAOYSA-N 215.655 2.110 0 40 BEAB O=C1COc2cc(Cl)c(Cl)cc2N1 62526691 DOPQEOZCWNLSAT-UHFFFAOYSA-N 218.039 2.324 0 40 BEAB Cc1cc(O)ncc1[C@H](N)c1ccccc1 72223767 NZALABKEVQOPQX-CYBMUJFWSA-N 214.268 2.144 0 40 BEAB c1ccc(CN2CCC[C@@H]3CNCC[C@@H]32)cc1 78210773 TZOUPQXQHUBGOP-CABCVRRESA-N 230.355 2.261 0 40 BEAB in-vitro COCc1nc(C(=O)OCC(C)(C)C)cs1 78442751 GLVFHKKELGQPLV-UHFFFAOYSA-N 243.328 2.492 0 40 BEAB CN(CCN)Cc1cc(Cl)ccc1Cl 79420141 KWOCIYVJIVMLLQ-UHFFFAOYSA-N 233.142 2.384 0 40 BEAB CC1(C)Oc2cc(Cl)ccc2NC1=O 84773074 MFUQYHNSHFXFSP-UHFFFAOYSA-N 211.648 2.450 0 40 BEAB COc1ccc(CC2(C(=O)O)CCC2)cc1 86350173 VNTAYWHELXRVQI-UHFFFAOYSA-N 220.268 2.493 0 40 BEAB C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCC1 89941521 WHHKWFFIYJKQHX-ZWNOBZJWSA-N 231.295 2.174 0 40 BEAB O=c1cccnn1CCSc1ccccc1 92751820 ITIATZIMSIYHDF-UHFFFAOYSA-N 232.308 2.036 0 40 BEAB Cc1ccc([C@H](C)NC(=O)Nc2cccnn2)o1 95411876 LWCJCXGIAXXWTR-VIFPVBQESA-N 246.270 2.261 0 40 BEAB CCOC(=O)C(=O)c1ccc(C(F)F)cc1 95634654 XVDSMJBLALGFBJ-UHFFFAOYSA-N 228.194 2.370 0 40 BEAB COc1cccc(CN2CC[C@]3(CCCO3)C2)c1 96051026 URFXVJJRVFWPJS-OAHLLOKOSA-N 247.338 2.450 0 40 BEAB COCCc1noc(-c2cccc3cc[nH]c23)n1 96435861 YPDILNZZQLNYRC-UHFFFAOYSA-N 243.266 2.407 0 40 BEAB Cc1c[nH]c2nc(C)n(-c3ccccc3)c(=N)c12 104228098 ZRLCXIJPFAUGDZ-UHFFFAOYSA-N 238.294 2.450 0 40 BEAB c1csc(-c2cc(Cn3ccnn3)no2)c1 128036229 RKLSCFBKFLZHOX-UHFFFAOYSA-N 232.268 2.043 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CNCCC[S@](C)=O 152586241 HWQPBNPAKZEJAL-XJKCOSOUSA-N 243.416 2.337 0 40 BEAB Cc1nc(NCc2csc(C3CC3)n2)n(C)n1 162493545 MNDJDKGEXRKUSC-UHFFFAOYSA-N 249.343 2.070 0 40 BEAB O=C(O)c1ccc(OCC(F)(F)F)cc1F 223183431 XBHUVGJAEGXEEN-UHFFFAOYSA-N 238.136 2.465 0 40 BEAB CC[C@H](C)NC(=S)Nc1cc(C)ccn1 225201709 TXBXYOBOSAYERB-VIFPVBQESA-N 223.345 2.475 0 40 BEAB CCCCCC[C@H](O)C/C=C/C(=O)O 225452851 MWMIRIBJWGECFI-ZKXNXJMVSA-N 200.278 2.349 0 40 BEAB biogenic,in-vitro CCOc1ccccc1N1CCN[C@@H]2CCC[C@@H]21 225716951 ILMRDPMGWTWVDY-OLZOCXBDSA-N 246.354 2.416 0 40 BEAB CCCc1ccc(CNC[C@H]2CCCO2)n1C 226020724 GCNKCUZRQDQKKS-CQSZACIVSA-N 236.359 2.246 0 40 BEAB CCCNC(=O)c1cc2cc(C)ccc2oc1=O 226035964 YKCJHOFIRFGNFQ-UHFFFAOYSA-N 245.278 2.241 0 40 BEAB c1cc(C[C@@H]2CCCNCC2)c2cn[nH]c2c1 257198303 YPKKPDZCQSRPPY-LLVKDONJSA-N 229.327 2.495 0 40 BEAB COC(=O)c1cc(F)cc(Cl)c1OC 261215344 KDNJGDRHLWGHNN-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB CC(=O)Oc1ccc(-c2ccc(C)cc2)nn1 408532488 YYZDFLWMKBDJSR-UHFFFAOYSA-N 228.251 2.377 0 40 BEAB CC1CC(C(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)C1 1565551757 KGIIVLUTITWYHE-IUCVHNFVSA-N 237.343 2.058 0 40 BEAB C[C@@H]1[C@@H]2CCC[C@@H](O)[C@]2(C)CCC12OCCO2 2362801368 AVQNPOPDEYOOKP-YVECIDJPSA-N 240.343 2.327 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)O 64865 MAEBYLOMZZIEBH-UHFFFAOYSA-N 241.674 2.452 0 40 BEAB CC(C)C(=O)NCCCCCN1CCCCC1 1646509 CPNXMFYKYKYWHF-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB Cc1ccc(C)c2c(CC(=O)O)c[nH]c12 1848241 JEDHWHYXMXJLON-UHFFFAOYSA-N 203.241 2.412 0 40 BEAB CN1CCC(c2ccc3n[nH]cc3c2)CC1 2526942 ZQMVGZWZVMGNTJ-UHFFFAOYSA-N 215.300 2.372 0 40 BEAB CC(=O)Nc1cccc2c(N)cccc12 3844706 WQZGEAMFDXTVFS-UHFFFAOYSA-N 200.241 2.380 0 40 BEAB biogenic CO[C@@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)O 4025345 NEWSMEZTKJNJKD-MELADBBJSA-N 232.279 2.413 0 40 BEAB biogenic CCCNC(=O)/C=C/c1ccc(F)cc1 5468512 LGLBBQPSBYTHEO-VMPITWQZSA-N 207.248 2.365 0 40 BEAB O=C([C@H]1CCCO1)N1CCCc2ccccc21 6341663 ZAEPPPXHXHKUSB-CYBMUJFWSA-N 231.295 2.145 0 40 BEAB CCCNC(=O)c1nc2ccccc2s1 6636207 WHWKPXPWINLLCC-UHFFFAOYSA-N 220.297 2.436 0 40 BEAB CCNC(=O)CNc1ccc(Cl)cc1C 9315337 XBCOJZWHLICNSO-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC1 12924794 ROPLIBBCPBECJL-SECBINFHSA-N 239.702 2.340 0 40 BEAB COCCNC(=O)Nc1ccc(C)c(Cl)c1 12945355 XLQUGXMHHDOLRP-UHFFFAOYSA-N 242.706 2.416 0 40 BEAB C[C@H](C(=O)O)[C@@H](C(=O)O)[C@@H](C)c1ccccc1 13575643 AOOUEKJMMFRAPN-QXEWZRGKSA-N 236.267 2.212 0 40 BEAB Cc1cc(C)cc(N(C)CCC(=O)O)c1 20133775 MSEOLYPTMWDRHR-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB CCn1cc(NCc2cccc(O)c2)cn1 20352770 OXXGALCYRQQHBV-UHFFFAOYSA-N 217.272 2.221 0 40 BEAB COc1ccc(-c2ccc(N)nc2C)cn1 21987498 DZIJARNKVQQPTR-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB Cc1c([C@@H](C)NC(=O)c2ccsc2)cnn1C 25000093 KZNKYAGDIMKHAC-MRVPVSSYSA-N 249.339 2.281 0 40 BEAB Cc1nccn1C(=O)Nc1ccccc1 28226521 CMVWVHMASYCKAL-UHFFFAOYSA-N 201.229 2.272 0 40 BEAB CNCCCNCc1ccccc1C(F)(F)F 28427314 MADZGTOTJNLXCR-UHFFFAOYSA-N 246.276 2.405 0 40 BEAB NC[C@H](O)c1cccc(OC2CCCC2)c1 32013933 LFLUNKAKVJZCAA-ZDUSSCGKSA-N 221.300 2.000 0 40 BEAB O=C(NCCSCc1ccccc1)C1CC1 32736764 SDUCJVJTNCMFQB-UHFFFAOYSA-N 235.352 2.446 0 40 BEAB COc1cccc2c1C[C@H]1CC(=O)OC1=C2 34569343 SCCPTQJNADCRRE-VIFPVBQESA-N 216.236 2.155 0 40 BEAB CC(=O)c1cncn1Cc1ccccc1 35940149 BLQNOZHGIDFFAS-UHFFFAOYSA-N 200.241 2.134 0 40 BEAB O=C1CCOc2c(Cl)cc(F)cc21 37901952 YKWLPVUEPVAMJD-UHFFFAOYSA-N 200.596 2.444 0 40 BEAB COc1cc(OC(F)(F)F)ccc1N 38529719 UHSZMPDNKZEQRZ-UHFFFAOYSA-N 207.151 2.176 0 40 BEAB Cc1ccoc1C(=O)N1CCC[C@H](C)C1 40480526 AFXOTLDCLFUSCD-VIFPVBQESA-N 207.273 2.460 0 40 BEAB FC(F)(F)c1ccc(O[C@@H]2CCCNC2)nc1 42783021 FHCJOGNEXXZZNR-SECBINFHSA-N 246.232 2.231 0 40 BEAB COc1cccc(C(=O)c2ccccc2F)n1 45028722 MTEAYXGTJOOIAK-UHFFFAOYSA-N 231.226 2.460 0 40 BEAB CCOCCNC(=O)Nc1c(F)cccc1F 45643136 CRQPRDCDYFHDSV-UHFFFAOYSA-N 244.241 2.123 0 40 BEAB CCCOCc1cc(C(=O)O)ccc1OC 50131814 PNNOTFPDZOTCKY-UHFFFAOYSA-N 224.256 2.320 0 40 BEAB CCc1ccccc1-n1cnc(C(=O)O)c1 50225882 QQGHQZRKJCBMTH-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB C[C@@H]1CNCCN1Cc1ccc(F)cc1Cl 54374214 NFRRRKMQJRIWNP-SECBINFHSA-N 242.725 2.273 0 40 BEAB CC(C)N1CCN(CCOc2ccccc2)CC1 58086682 MFNKARCVYGYUIB-UHFFFAOYSA-N 248.370 2.091 0 40 BEAB CCC[n+]1c(N)sc2cc(OC)ccc21 61968237 NNLFEEGXHSGUFW-UHFFFAOYSA-O 223.321 2.190 0 40 BEAB Nc1nc(Cl)c(Cl)c(N)c1Cl 62152186 FGIUJKXQIISHOO-UHFFFAOYSA-N 212.467 2.206 0 40 BEAB CCN(CC)c1ccc([C@H]2C[C@@H]2N)cc1 62494916 GVMVJVUMXASALG-OLZOCXBDSA-N 204.317 2.347 0 40 BEAB CC[C@@H](OC)[C@H](NCc1ccccc1)C(C)=O 64219546 LQQHPKCCORAZML-ZIAGYGMSSA-N 235.327 2.159 0 40 BEAB CCSc1nncn1-c1ccccc1 69386288 DSEWIOQBUOTLEC-UHFFFAOYSA-N 205.286 2.379 0 40 BEAB C[C@@H]1c2cccn2CCN1C(=O)c1cccn1C 69420524 GCBBKZDBUHBOMD-LLVKDONJSA-N 243.310 2.044 0 40 BEAB Brc1cnc([C@H]2CCCCN2)nc1 70946826 QQFVSWZPVTVAOX-MRVPVSSYSA-N 242.120 2.054 0 40 BEAB Fc1ccc(CN[C@@H]2CCCOC2)cc1 71010872 KAMRUUNNZYKFBJ-GFCCVEGCSA-N 209.264 2.094 0 40 BEAB N[C@@H]1CCN(C(=O)c2ccco2)c2ccccc21 71324201 UUSMAXRJYODTIN-LLVKDONJSA-N 242.278 2.330 0 40 BEAB CONC(=O)Nc1ccc(F)c(-n2cccc2)c1 71920271 QQSIPFDBEYEJME-UHFFFAOYSA-N 249.245 2.299 0 40 BEAB CC1=CC(C)(C)n2c(=O)oc(=O)c3cccc1c32 72416613 RNKRKMVNBKRLJE-UHFFFAOYSA-N 243.262 2.107 0 40 BEAB CS[C@H]1CCC[C@H]1N(C)C(=O)NC1CC1 76092163 KHIOEEVGRLXWQS-ZJUUUORDSA-N 228.361 2.074 0 40 BEAB CCN(c1ccc(C)cc1)[C@H](C)C(=O)O 82259504 GMGYTVKSYMBORV-SNVBAGLBSA-N 207.273 2.294 0 40 BEAB C[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 82306122 KPIJBNIEQKRTLM-JSGCOSHPSA-N 246.354 2.206 0 40 BEAB Cc1nsc(N2CCS[C@@H](C)[C@@H]2C)n1 89721402 FHJNIVHTYXBYPP-BQBZGAKWSA-N 229.374 2.177 0 40 BEAB N[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1 91675903 NFWZARAFTINKJK-OLZOCXBDSA-N 248.326 2.183 0 40 BEAB CCc1ccccc1C(=O)/C=C\C(=O)O 95727058 USILPUAZKLPCOE-FPLPWBNLSA-N 204.225 2.073 0 40 BEAB O=Cc1ccc(CN2CCCC2)c(F)c1 95738933 FOAWUXYBDBSTKD-UHFFFAOYSA-N 207.248 2.234 0 40 BEAB N[C@H](CCc1cccc(Cl)c1Cl)C(=O)O 95749207 HWWKPLFALLBQGB-MRVPVSSYSA-N 248.109 2.338 0 40 BEAB COc1cc([C@H]2CCCNC2)ccc1C 95828229 RERPLLRFXHFUAR-LBPRGKRZSA-N 205.301 2.471 0 40 BEAB Cc1ccc(-c2oncc2C(=O)O)s1 95883827 IXVOLDGJHQQDBM-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB in-vitro COCc1noc(C(Cl)(Cl)Cl)n1 96347470 XVMWVDAILDQEAT-UHFFFAOYSA-N 231.466 2.043 0 40 BEAB CN(Cc1ccncc1)Cc1ccncc1 97375326 DXKSOGCQFLBUNZ-UHFFFAOYSA-N 213.284 2.109 0 40 BEAB CC(C)n1cccc(Br)c1=O 98213639 IFULVKUOKMYBBP-UHFFFAOYSA-N 216.078 2.192 0 40 BEAB NCc1nc2c(F)c(F)cc(F)c2s1 146669415 RSSTZJXPLDVQBQ-UHFFFAOYSA-N 218.203 2.172 0 40 BEAB Cc1noc(C)c1C(=O)Cn1ccnc1C(C)C 186665504 FJTJRIYXHVQXLC-UHFFFAOYSA-N 247.298 2.494 0 40 BEAB CCn1c(C)cc(Cl)c(Cl)c1=O 217588423 XSSHANYLDWLAFH-UHFFFAOYSA-N 206.072 2.483 0 40 BEAB CCOC(=O)c1c(C(=O)O)coc1C(F)F 217644535 DWERHEXPFFAEEG-UHFFFAOYSA-N 234.154 2.092 0 40 BEAB CC[C@H](C(=O)O)N(C)c1ccccc1C 224980612 UDKLGYFYDMNUMZ-SNVBAGLBSA-N 207.273 2.294 0 40 BEAB CC(C)OCCCN1CCN[C@@H]2CCCC[C@@H]21 225712509 SVOFHSOHNPEOPL-KGLIPLIRSA-N 240.391 2.018 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@@H]32)c(F)c1 225717690 DDGNWRZUMOVSQJ-YPMHNXCESA-N 238.281 2.296 0 40 BEAB COc1ccc2[nH]c(=O)cc(C(F)F)c2c1 225758331 UPENUGBJRLRPOF-UHFFFAOYSA-N 225.194 2.474 0 40 BEAB O=C(Cn1ccc2ccccc21)N1CC=CCC1 238865864 LTNIPXUTAZSJSB-UHFFFAOYSA-N 240.306 2.430 0 40 BEAB COC(=O)C1CC(C)(C)OC(C)(C)C1 307333823 LITLNGPUIWFIKZ-UHFFFAOYSA-N 200.278 2.143 0 40 BEAB c1ccc2c(N3C[C@H]4C[C@H]3CO4)ccnc2c1 364644790 JGBOZCNYXDATFV-WDEREUQCSA-N 226.279 2.212 0 40 BEAB O[C@H](CN1OC2CCC1CC2)C1CCCCC1 640229697 CLFATUHIODHCBU-JXQTWKCFSA-N 239.359 2.486 0 40 BEAB Cc1cc(Nc2ccc(F)cc2F)nc(N)n1 89189 XKWTUUSLNSPYCL-UHFFFAOYSA-N 236.225 2.389 0 40 BEAB COc1c2occc2c(CN)c2ccc(=O)oc12 1590848 LIFOOMNHGFBULI-UHFFFAOYSA-N 245.234 2.007 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@@]1(O)C=CCCC1 1675350 IDPCFIYJYAVFFE-GXTWGEPZSA-N 232.279 2.326 0 40 BEAB CCN(CC)C(=O)CCCCC(=O)OC(C)C 1687953 KIZCOMYMXIBVQQ-UHFFFAOYSA-N 243.347 2.367 0 40 BEAB N[C@H](CCO)c1ccc(Cl)c(Cl)c1 2530245 CFNAMLAVUTUGPM-SECBINFHSA-N 220.099 2.376 0 40 BEAB in-vitro c1ccc(CNC2=NCCCS2)cc1 3350352 KVFOICMSGAUPBK-UHFFFAOYSA-N 206.314 2.269 0 40 BEAB in-vitro CC(=O)O[C@]1(c2ccccc2)C[C@H](C)CN(C)C1 4474744 QSTBERFREDOMJD-SWLSCSKDSA-N 247.338 2.417 0 40 BEAB Nc1cccc2c1OC(F)(F)C(F)(F)O2 4806340 UPOWEJQQELYQIJ-UHFFFAOYSA-N 223.125 2.226 0 40 BEAB CCCCCCc1nc2ccccc2c(=O)n1N 4838148 YPJAVWROWBXMKG-UHFFFAOYSA-N 245.326 2.233 0 40 BEAB O=C(Nc1ccccn1)[C@H]1C[C@H]2CC[C@@H]1C2 5391123 ICUGUWHKSGQUFZ-AXFHLTTASA-N 216.284 2.456 0 40 BEAB Cc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 5549055 MVQZCCWEAFWRJS-VXGBXAGGSA-N 233.311 2.244 0 40 BEAB CNC(=S)NCCSCc1ccccc1 7971045 LZMOROGLQMTPLM-UHFFFAOYSA-N 240.397 2.014 0 40 BEAB O=C1Cc2cc(NC(=O)c3ccco3)ccc2N1 8803841 AEVVBZLHFSKGEW-UHFFFAOYSA-N 242.234 2.027 0 40 BEAB O=c1[nH]c2ccccc2c(=O)n1C1CCCCC1 9108612 GCLQRXZTSYKTLA-UHFFFAOYSA-N 244.294 2.195 0 40 BEAB CCC[C@]12CCC(=O)N1[C@H]1CCCC[C@@H]1N2 9937028 HFBNSQOMCGXKBX-GMXVVIOVSA-N 222.332 2.020 0 40 BEAB Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2 12803918 ZFSVZZUTELKOKO-RQJHMYQMSA-N 219.210 2.499 0 40 BEAB CCn1cc(CCN)c2cccc(C)c21 13683150 FXWQAQORAHYFDL-UHFFFAOYSA-N 202.301 2.471 0 40 BEAB CCN1CCC[C@H]1CNCc1ccccc1F 19527254 MOYOOSFYJWAKGJ-ZDUSSCGKSA-N 236.334 2.400 0 40 BEAB Cc1nc(-c2sc(N)nc2C)cs1 20372936 LOQMDCFZZQDGLW-UHFFFAOYSA-N 211.315 2.466 0 40 BEAB Cc1cc(=O)cc(-c2cccc(C(=O)O)c2)o1 32235468 YJDLITKXSWLYIM-UHFFFAOYSA-N 230.219 2.313 0 40 BEAB Cc1ccc(CN(C)C(=O)c2cnccn2)cc1 33000479 KYKQCWXSYXYQHN-UHFFFAOYSA-N 241.294 2.057 0 40 BEAB Cc1cc(SCC(=O)O)nc(C(C)C)n1 35121831 UGPFUSZDMWPSSM-UHFFFAOYSA-N 226.301 2.085 0 40 BEAB Clc1ccccc1CO[C@H]1CCNC1 36142134 ZFWZMEHITMPGLE-JTQLQIEISA-N 211.692 2.219 0 40 BEAB N[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 37381420 QOLIRVSGYNYCCI-JGVFFNPUSA-N 217.190 2.400 0 40 BEAB COc1cc2[nH]c(C)c(C)c(=O)c2cc1OC 37947581 GPLGICYKDNVSRF-UHFFFAOYSA-N 233.267 2.162 0 40 BEAB O=C(c1ccc(Cl)nc1)C(F)(F)F 39055501 SYPJJBWXFXEFFO-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB O=C1NC[C@@H](c2ccc(Br)cc2)O1 41286222 FWGFASQLOPSRHI-QMMMGPOBSA-N 242.072 2.230 0 40 BEAB O=C(C[C@H]1CCCN1)Nc1ccc(F)cc1F 42165677 LKWFFOYLEIHXJA-SECBINFHSA-N 240.253 2.045 0 40 BEAB c1ccc2nc(OC[C@H]3CCCNC3)cnc2c1 44029921 KBKGCMTYPJSOTQ-NSHDSACASA-N 243.310 2.008 0 40 BEAB CCSc1nnc(-c2ccco2)n1C 57652401 QZGQKUAWFKQCES-UHFFFAOYSA-N 209.274 2.187 0 40 BEAB COCc1ccccc1C(=O)N(C)C1CC1 60372680 CRMAJCKYNHACSV-UHFFFAOYSA-N 219.284 2.067 0 40 BEAB CCN(CC)C(=S)S[C@H]1C[C@@H](C)OC1=O 60882075 LWYQSYPRAPNDIA-SFYZADRCSA-N 247.385 2.050 0 40 BEAB CCN(Cc1cccnc1)C[C@@H]1CCCO1 69452709 CDAPKJUJGLJJJM-ZDUSSCGKSA-N 220.316 2.083 0 40 BEAB CC(C)(C)C(=O)Nc1cc(-c2ccncc2)n[nH]1 69566724 HTPNIZPUFJRPJB-UHFFFAOYSA-N 244.298 2.456 0 40 BEAB Cc1ccc(C)c(Cn2cc(C)c(N)n2)c1 69760373 QCJCUWPZVRFWOC-UHFFFAOYSA-N 215.300 2.439 0 40 BEAB Cc1ccc(OC[C@@H](C)NC(=O)C2CC2)cc1 70266169 KJLPEGDKKOTZPU-LLVKDONJSA-N 233.311 2.289 0 40 BEAB COC(=O)NC1=Cc2cc(F)cc(F)c2OC1 71791100 HSTQWAGZVPIFLU-UHFFFAOYSA-N 241.193 2.054 0 40 BEAB Cn1c(CN[C@H]2CCSC2)nc2ccccc21 72727396 WURXHYVHXJSJHQ-JTQLQIEISA-N 247.367 2.168 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cocn1 74695578 PVASTVDJUITWQC-SECBINFHSA-N 228.251 2.266 0 40 BEAB COc1cccc2c(Br)n[nH]c12 75883964 GCPPYMYTCFKEPZ-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro CN(C(=O)COc1ccccc1)c1ccccn1 78386029 GSOHYKLVBCTATC-UHFFFAOYSA-N 242.278 2.123 0 40 BEAB Nc1cnn(-c2cc(Cl)ccc2Cl)n1 82349669 ICUDQPUMDJYLMP-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB Nc1ccc2nc(-c3cccc(F)c3)nn2c1 82749521 QVMPAOGBARMJKJ-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB Cc1c(F)ccc2nc(C(=O)O)ccc12 85399904 PASSNWPMCAWKIK-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB C[C@H](C(=O)O)[C@@H](C)NCc1ccccc1F 86297927 ONLCLSFGQPCXLO-DTWKUNHWSA-N 225.263 2.025 0 40 BEAB CC(C)[C@@H](NC(=O)CC1=CCCCC1)C(=O)O 88439821 AOBHCJZNBFKYOY-GFCCVEGCSA-N 239.315 2.102 0 40 BEAB CC(C)=CCN(C)C1CCC(CO)CC1 89924082 LEXWSUXJLNERRW-UHFFFAOYSA-N 211.349 2.436 0 40 BEAB Nc1cc(-n2ccnc2)cc(C(F)(F)F)c1 95831352 KZPKULGYMCRGJA-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB C[C@@H](SCC1CCC1)C(=O)NC1CC1 96433453 VZIQEQJOQPSWNG-MRVPVSSYSA-N 213.346 2.187 0 40 BEAB c1ccc(Cn2cc3c(n2)C[C@H]2CC[C@@H]3N2)cc1 96510261 JXEJEWOQGSCZGP-OCCSQVGLSA-N 239.322 2.281 0 40 BEAB CC(C)Cn1nccc1NC1CCN(C)CC1 97231978 PVPJSOCXUOVHCR-UHFFFAOYSA-N 236.363 2.045 0 40 BEAB CC1(C)O[C@@]2(C)CC[C@H]1C(=O)OC2(C)C 100365216 VDPXXZOIXVYKMK-UFBFGSQYSA-N 212.289 2.286 0 40 BEAB COc1cccc([C@@H]2C[C@H]2[C@H](C)O)c1OC 108350673 FZMUAEIULPUYBQ-LSJOCFKGSA-N 222.284 2.188 0 40 BEAB COc1ccc(NC(=O)C2(C)CC2)cc1OC 155802898 CLKASSYZVNEKOA-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB O=C1CCc2cc(OCc3ccon3)ccc21 186853575 SIBUJTDOZFLYBE-UHFFFAOYSA-N 229.235 2.383 0 40 BEAB O=C(O)[C@@H]1C[C@H](C2CC2)Nc2ccccc21 213142253 USHCLYXJZNMIEP-ZYHUDNBSSA-N 217.268 2.449 0 40 BEAB Cc1nc(O[C@@H]2CN3CCC2CC3)sc1C 585651357 CXINBTLXBIESIL-LLVKDONJSA-N 238.356 2.233 0 40 BEAB Cc1ccc(F)c(=O)n1-c1ccccc1 642882554 LNOMEBRSQBKDST-UHFFFAOYSA-N 203.216 2.285 0 40 BEAB CN(Cc1cn(C)cn1)C1CC(C)(C)C1 660779114 PSAQHDIQFSIHCM-UHFFFAOYSA-N 207.321 2.041 0 40 BEAB C[C@H](F)COB(OC[C@@H](C)F)OC[C@@H](C)F 1083813042 YBWOBBPSKNMYOD-HLTSFMKQSA-N 242.046 2.095 0 40 BEAB CCCN1C(=O)CCN(C(C)=O)c2ccccc21 268911 MBBOFTYMXSDSIJ-UHFFFAOYSA-N 246.310 2.186 0 40 BEAB CCOC(=O)[C@@H](O)[C@@](C)(Cl)c1ccccc1 1716216 XZBUTDNPQYQZJL-PWSUYJOCSA-N 242.702 2.065 0 40 BEAB CCCSc1nc2nc(C)cc(C)n2n1 2182110 CVMHSASTUPISRA-UHFFFAOYSA-N 222.317 2.243 0 40 BEAB O[C@H](c1ccncc1)C(F)(F)C(F)(F)F 2528690 GHROSUKBCNXPBP-ZCFIWIBFSA-N 227.132 2.313 0 40 BEAB C[C@@H](O)c1ccc(-c2ccc(CO)o2)cc1 2637897 RCVJOGSDFQAHAG-SECBINFHSA-N 218.252 2.492 0 40 BEAB CCC[C@H](O)[C@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845867 XRVXEMNLTYHFFR-NRUUGDAUSA-N 244.331 2.196 0 40 BEAB biogenic CC(C)(C)c1cc(C(=O)O)c(O)c(C(=O)O)c1 4050131 JPPQSYIWMHPAED-UHFFFAOYSA-N 238.239 2.086 0 40 BEAB CCC(=O)Nc1nnc(-c2cccc(OC)c2)o1 4276053 GGQNCRAWPKCPET-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB Cc1cccc(N[C@H]2SC(=O)N(C)C2=O)c1 4450737 RGMQJQCTVWKQPF-VIFPVBQESA-N 236.296 2.058 0 40 BEAB CCCC[C@@H](CC)C(=O)NC[C@@H]1CCCO1 5466634 PVEUPUAPZWVDHP-NEPJUHHUSA-N 227.348 2.498 0 40 BEAB O=Cc1n[nH]c2cc(Br)cc(F)c12 14983311 XRQSLXPHWKSPTB-UHFFFAOYSA-N 243.035 2.277 0 40 BEAB CC(C)c1ccc([C@H](C(=O)O)N(C)C)cc1 16787088 UZIYDNHKPOZTOV-GFCCVEGCSA-N 221.300 2.497 0 40 BEAB Cc1ccc([C@H](C)N2CCNCC2)c(C)c1 19735300 ASFKAOFDNOMVHD-ZDUSSCGKSA-N 218.344 2.270 0 40 BEAB COC(=O)[C@H](N)c1ccc2ccccc2c1 20169374 OWSZMZAENZHDLB-GFCCVEGCSA-N 215.252 2.013 0 40 BEAB biogenic Cc1cc(C(F)(F)F)nn1CCCC(=O)O 20329196 UFNIIMKJJIBPNT-UHFFFAOYSA-N 236.193 2.075 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@@H](C)N)cc1OC 20392390 HYRHCZXUDHOWNL-IEBDPFPHSA-N 221.300 2.155 0 40 BEAB COc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1C 25309969 QOYOPFKIRGRNSM-CBAPKCEASA-N 223.247 2.429 0 40 BEAB CSCCC(=O)Nc1nc(C)cs1 25404728 KTRWYHOFIIVWAU-UHFFFAOYSA-N 216.331 2.143 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1ccccn1 32819167 RLQIYLQZUBGHOR-SNVBAGLBSA-N 202.257 2.376 0 40 BEAB O=C(NCc1nc2ccccc2s1)NC1CC1 32843663 ZTPGRVJWAYRIQU-UHFFFAOYSA-N 247.323 2.258 0 40 BEAB CO[C@@H](c1cc(C)c(O)c(C)c1)[C@@H](C)CO 33755297 DDKZMHXOHSFIPM-GXFFZTMASA-N 224.300 2.325 0 40 BEAB OCc1cc(Cl)c(Br)cc1O 36075276 HDKKKPSFLVOGRQ-UHFFFAOYSA-N 237.480 2.300 0 40 BEAB C=CC(=O)Nc1cc(OC)c(Cl)cc1OC 36334201 GTYYMWHDASHQOO-UHFFFAOYSA-N 241.674 2.482 0 40 BEAB in-vitro CCN[C@](C)(C(=O)O)c1cccc(Cl)c1 37181509 DHONCHIWBFHJIG-NSHDSACASA-N 227.691 2.249 0 40 BEAB Cc1ccc(OCCN(C)C(=O)[C@@H]2C[C@@H]2C)cc1 40001078 NIIFKDHUSNQLMD-GXTWGEPZSA-N 247.338 2.488 0 40 BEAB NCc1ncccc1-c1ccc(F)cc1 41653012 BJZZVANTXSYSKH-UHFFFAOYSA-N 202.232 2.346 0 40 BEAB C[C@@H](O)[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 62714030 PLBQRFXDNOQHNE-JFUSQASVSA-N 204.269 2.106 0 40 BEAB CCCc1nc(CN(C)CC(C)(C)O)cs1 71908311 XRUCBWKQQWSJGF-UHFFFAOYSA-N 242.388 2.298 0 40 BEAB CC(C)[C@H](N)[C@H](CC(=O)O)c1ccccc1 72208297 FMIBFCOBLJOMLW-YPMHNXCESA-N 221.300 2.228 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc(Cl)nc1 72211445 SUKRXTFKNKKTNE-JTQLQIEISA-N 224.691 2.418 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CF 82163025 IHHSXCLECNNDPN-SFYZADRCSA-N 203.257 2.259 0 40 BEAB CCOc1ccc(CC(=O)OC)c(C)c1 82721887 KWGZUVJHWHJOKH-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB Cc1cc(Br)c2c(c1)CNCCO2 84179565 INXZVVJOUSMDTN-UHFFFAOYSA-N 242.116 2.240 0 40 BEAB CCOC(=O)c1csc(NC2CCC2)n1 85395931 JGAPEAWUGOIDQS-UHFFFAOYSA-N 226.301 2.284 0 40 BEAB Cc1cn(C2(CO)CCC2)c2ncccc12 95644199 CGNPKNDGSNVODY-UHFFFAOYSA-N 216.284 2.216 0 40 BEAB CCn1nc(C)c(N[C@@H]2CCSC2)c1C 97046019 VPPHYSTULYYONV-SNVBAGLBSA-N 225.361 2.437 0 40 BEAB NC(=O)C(=S)Nc1cccc(Cl)c1Cl 98175499 ZGWFFFHXWIMCNN-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB NC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100084113 FMXPGWNCORDLEA-GHQHZXSUSA-N 213.708 2.050 0 40 BEAB CCOP(=O)(C=C1COC1)OCC 138092144 FFSCZIVKLQZURA-UHFFFAOYSA-N 206.178 2.167 0 40 BEAB COCCCNc1cc(C)c(C)cc1N 256052757 ONKXNIOPDPXWAF-UHFFFAOYSA-N 208.305 2.334 0 40 BEAB CCCn1nccc1CNc1cnn(CC)c1C 256052943 PHFBUGJRSWEZEN-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCOc1ccc2c(O)cc(O)nc2c1 257197489 AXGWCBNCZCEALK-UHFFFAOYSA-N 205.213 2.045 0 40 BEAB CCn1nc(C)c(NC(=O)C(F)(F)F)c1C 266077998 DCPPPQUBNWJJTD-UHFFFAOYSA-N 235.209 2.021 0 40 BEAB Clc1ccc2c(c1)OCC[C@@]21CCN1 306145358 CIEQKRWKNFQKTM-NSHDSACASA-N 209.676 2.311 0 40 BEAB CCc1ccc2c(c1)[C@H](CC(=O)OC)CO2 585656386 REUAWPMZKHAZLJ-SNVBAGLBSA-N 220.268 2.288 0 40 BEAB Fc1ccc([C@H]2CNCCO2)c(Cl)c1 70602826 AOJXJNVTVOJVAB-SNVBAGLBSA-N 215.655 2.140 0 40 BEAB in-vitro CC1=NN(C(=S)c2ccc(C)cc2)[C@](C)(O)C1 302553 HSTZISKVCXJRGP-CYBMUJFWSA-N 248.351 2.461 0 40 BEAB CC(C)[C@H]1CN(Cc2ccon2)CCS1 76065528 PQJSRHZAGSDEGP-LLVKDONJSA-N 226.345 2.248 0 40 BEAB CCCCC[C@H]1CCC(=O)O[C@@H]1OC(C)=O 1714940 XXBSZTCPBJFCGA-JQWIXIFHSA-N 228.288 2.409 0 40 BEAB O=C1NC(=O)c2ccc(S)c3cccc1c23 1735852 LDZKHMPZEWJCSJ-UHFFFAOYSA-N 229.260 2.012 0 40 BEAB CC(C)(CO)NCc1ccc(Cl)cc1 4657420 MNZKAQWNFMEAFE-UHFFFAOYSA-N 213.708 2.201 0 40 BEAB Cc1cc2oc(C=O)cc(=O)c2cc1C 6787639 VDKXWUDBJHNJIN-UHFFFAOYSA-N 202.209 2.222 0 40 BEAB CC(C)(C)[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 46801564 NPEKXVTWBDQQLV-ZJUUUORDSA-N 233.377 2.141 0 40 BEAB CC(C)c1nc(C(F)(F)F)ncc1C(=O)O 8699867 GAKSCPNNFHCXNW-UHFFFAOYSA-N 234.177 2.317 0 40 BEAB CCCCCSc1nc(OC)cc(=O)[nH]1 59417360 DVVIQUPQVVGWFS-UHFFFAOYSA-N 228.317 2.061 0 40 BEAB CC[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1C 9994862 PXKUHZIIJKUWDC-JTQLQIEISA-N 248.326 2.157 0 40 BEAB Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 1452381 MUPAOMLUTMORSO-LBPRGKRZSA-N 249.310 2.224 0 40 BEAB OCc1cn2cc(Cl)cc(Cl)c2n1 47844015 UQMZXSKGXBNAJE-UHFFFAOYSA-N 217.055 2.133 0 40 BEAB in-vitro Cc1ccsc1C(=O)Nc1cn[nH]c1 35237529 GIBZSCZZSBGPGN-UHFFFAOYSA-N 207.258 2.032 0 40 BEAB NC[C@@H]1CCCC[C@H]1OCC(F)(F)F 35235897 NGVIRIIQGBINNV-JGVFFNPUSA-N 211.227 2.083 0 40 BEAB in-vitro CCCCC(=O)NCCc1nc2ccccc2[nH]1 1744646 UYNXPIOAEPETIZ-UHFFFAOYSA-N 245.326 2.412 0 40 BEAB Cc1n[nH]cc1CNc1cnc2ccccc2n1 97160097 OZZAJXXZXWVBSO-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB Cc1cc(O)n2nc(-c3ccoc3C)cc2n1 100227122 HQUPZAOBGRCMJC-UHFFFAOYSA-N 229.239 2.312 0 40 BEAB CCO[C@@H](CNC)c1cc(F)ccc1F 62711574 UARUSPQVDWHIIH-NSHDSACASA-N 215.243 2.262 0 40 BEAB Cc1cc(C(=O)Nc2nnc(C)s2)c(C)o1 21346206 WESRKERLSBENTL-UHFFFAOYSA-N 237.284 2.309 0 40 BEAB CC(C)NC(=O)N(C)Cc1ccc(F)cc1 12917585 KOQGHLJHTQJMHC-UHFFFAOYSA-N 224.279 2.376 0 40 BEAB Cc1cc(C(=O)NC2CCC(C)CC2)no1 13329543 IGPBZHKGMFFTQB-UHFFFAOYSA-N 222.288 2.292 0 40 BEAB CCc1cc(CC)nc(C2CCNCC2)n1 70951407 RTKJOZYHXZYLCZ-UHFFFAOYSA-N 219.332 2.068 0 40 BEAB O=C(O)c1cc(Br)cn1C(F)F 952959246 WNLADYAJLWWQFM-UHFFFAOYSA-N 240.003 2.344 0 40 BEAB COc1cccc([C@@H]2C[C@@H]2[C@@H](C)N)c1OC 20594438 NRMIRCUHNDPXEF-IEBDPFPHSA-N 221.300 2.155 0 40 BEAB Fc1cccc(OC[C@@H]2CCCCN2)c1 19472721 JNKQOTOZZCIRMG-NSHDSACASA-N 209.264 2.347 0 40 BEAB c1cc2c(cc1O[C@H]1CCCNC1)CCC2 14631776 AEHUQSSKSVUOQJ-AWEZNQCLSA-N 217.312 2.306 0 40 BEAB COc1ccc2cc(S(=O)(=O)O)ccc2c1 5880407 FOIKGWJGRNNGQP-UHFFFAOYSA-N 238.264 2.095 0 40 BEAB C[C@H](NC[C@H](N)c1ccccc1)c1nccs1 80310454 XRLVYKCVJQZARP-JQWIXIFHSA-N 247.367 2.494 0 40 BEAB C[C@@H](c1ccc(Cl)cc1)N1CCNCC1 19735591 TXDDMVIATVZSAM-JTQLQIEISA-N 224.735 2.306 0 40 BEAB in-vitro CCOC(=O)c1cnn2ccc(Cl)cc12 95748877 IPMVZZWMNLSJDT-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB COC(=O)c1ccc(-c2ccno2)cc1 75068483 SZCTXCZVDFSQIC-UHFFFAOYSA-N 203.197 2.128 0 40 BEAB N=c1ccn(Cc2cccc(F)c2)cc1 494622 GTWSEKJNOZVTMF-UHFFFAOYSA-N 202.232 2.155 0 40 BEAB biogenic Cc1ccc(F)c2c(OCC(=O)O)ccnc12 64874858 PHZQFUYKRHINCD-UHFFFAOYSA-N 235.214 2.146 0 40 BEAB CCNCC[C@@H](CCO)c1ccccc1 217799307 MZDAUXSVJZKTDF-ZDUSSCGKSA-N 207.317 2.152 0 40 BEAB C[C@H](O)c1ccc(N2CCCCC2)nc1 72225447 BLEGDRHGAITHNZ-JTQLQIEISA-N 206.289 2.125 0 40 BEAB COc1ccccc1-c1nocc1C(=O)O 71521116 SMBFHGGTGTZMEE-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB Cc1ccc2c(c1)[C@H](C(=O)O)NCC2(C)C 82783715 AJADLSHLNONLJN-LLVKDONJSA-N 219.284 2.002 0 40 BEAB CC[C@H](C)Nc1ccc(N)cc1C(=O)NC1CC1 225454294 IHLDMCBTLYLWSQ-VIFPVBQESA-N 247.342 2.371 0 40 BEAB Cc1ccc(C=O)n1Cc1ccccc1C(=O)O 226032658 XGPRTHNJDJJWJC-UHFFFAOYSA-N 243.262 2.356 0 40 BEAB CO[C@@H]1CC[C@H](CO)C[C@@H]1C(C)(C)C 149795163 PVCBBUOUYOKAAS-GARJFASQSA-N 200.322 2.456 0 40 BEAB N=C(N)c1ccc(C(F)(F)F)c(F)c1 147998376 NLZGCTAVRJBVFN-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB Cc1cccnc1CN1[C@H](C)CCC[C@@H]1CO 95999297 NZCFHTQEDOBEAI-CHWSQXEVSA-N 234.343 2.125 0 40 BEAB Cc1ccc(C(=O)N2CC[C@]3(CCCO3)C2)cc1 96051016 OURDZSHBSHEEMT-OAHLLOKOSA-N 245.322 2.390 0 40 BEAB CC(C)(C)OC(=O)n1cnc(Br)c1 95630031 VLWNHKQNLFMFBL-UHFFFAOYSA-N 247.092 2.429 0 40 BEAB Cc1ccc(C(=O)N2CCCCCCC2)c(=O)[nH]1 98008825 ONKNRCGXKPCYRU-UHFFFAOYSA-N 248.326 2.090 0 40 BEAB Cc1nccnc1C(=O)NC12CCC(CC1)CC2 615865255 NTPBYITXAPRZHI-UHFFFAOYSA-N 245.326 2.238 0 40 BEAB CC[C@@](CNC(C)=O)(OC)c1ccccc1 96123674 RJSGVGWKQPNAKY-ZDUSSCGKSA-N 221.300 2.074 0 40 BEAB CC1(C)COCCN1C(=O)NC1CCCCC1 36102035 ODPPHISCYYZTJS-UHFFFAOYSA-N 240.347 2.140 0 40 BEAB C[C@@]1(c2cccc(C(F)(F)F)c2)CNC(=O)C1 97445572 MVKOURBQOWSGLR-NSHDSACASA-N 243.228 2.483 0 40 BEAB COc1ccc(-n2nc3c(c2O)CCC3)cc1 102003783 RKZBVDLCYLJSBZ-UHFFFAOYSA-N 230.267 2.075 0 40 BEAB CCOc1ccccc1[C@H](C)NCCOC 19881631 RFWADLABSAHHKJ-NSHDSACASA-N 223.316 2.382 0 40 BEAB CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)O 1531142 ZNJFBWYDHIGLCU-OHINUGQQSA-N 210.273 2.413 0 40 BEAB in-vitro CCNC(=O)N1CCC[C@H]2CCCC[C@H]21 16681687 IXPJBWBFZPNKKG-GHMZBOCLSA-N 210.321 2.371 0 40 BEAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC1 12973778 LBNVPAAUYPLUCG-SECBINFHSA-N 239.702 2.340 0 40 BEAB CCc1ccc(C[C@@H](C(=O)O)N2CCCC2)cc1 41299189 RRJAPDNOYVGIEX-AWEZNQCLSA-N 247.338 2.341 0 40 BEAB COCc1ccccc1CNC(=O)NC(C)C 26145368 NSSJULRRYUAWQG-UHFFFAOYSA-N 236.315 2.041 0 40 BEAB C/C=C/C(=O)N1CCC(Oc2ccncc2)CC1 252500398 SUPVXWQYSLCMBG-NSCUHMNNSA-N 246.310 2.028 0 40 BEAB Cc1ccc(C)c(OC(=O)c2ccc(=O)oc2)c1 362707 HZKXNDBEBCFQHL-UHFFFAOYSA-N 244.246 2.476 0 40 BEAB Cc1cccc(C(=O)N(C)c2nc(C)cs2)n1 40548898 RGLMGRCQXGNMLI-UHFFFAOYSA-N 247.323 2.432 0 40 BEAB COc1ncccc1NC(=O)Cc1cccs1 40541657 AEYDJULZHBCYNZ-UHFFFAOYSA-N 248.307 2.333 0 40 BEAB CCOc1ncccc1C(=O)N[C@@H](C)CC 32666547 BRQBZYQYZRPHMK-VIFPVBQESA-N 222.288 2.009 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1Cc1cn2cccnc2n1 2636221 CNUIWRNWXOBHGL-VXGBXAGGSA-N 244.342 2.492 0 40 BEAB C[C@@H]1CN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C[C@@H](C)O1 102714254 UWBARERWZVANJT-DGTMBMJNSA-N 221.344 2.308 0 40 BEAB O[C@H]1[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCC1 4044750 KEVUJQHBGRUWPR-MROQNXINSA-N 209.333 2.022 0 40 BEAB COC[C@](C)(O)Cc1ccc(Cl)cc1 53173335 LGHMBXWUNLZKNS-LLVKDONJSA-N 214.692 2.280 0 40 BEAB in-vitro Cc1ccc(CCC(=O)Nc2cc[nH]n2)cc1 42414235 JQLOWRAPJAOFSK-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB Nc1cccc(Sc2ncccn2)c1 37668165 RFWDDPIXCCRMSH-UHFFFAOYSA-N 203.270 2.210 0 40 BEAB C[C@@H]1C[C@H](OC(=O)[C@H](C)O)CC(C)(C)C1 118055571 SRJOJNGMYPRTOL-UTLUCORTSA-N 214.305 2.125 0 40 BEAB in-man COc1ccc2c(c1)[C@H](O)C[C@H](C(F)(F)F)O2 43464915 JFPBLFLXPAOFAF-PSASIEDQSA-N 248.200 2.442 0 40 BEAB CC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1 1728533 UEGUKMUUDSGPDJ-UHFFFAOYSA-N 247.172 2.362 0 40 BEAB COC(=O)c1cc(Cl)cc(N)c1Cl 1732074 DTSSCQVCVYZGSI-UHFFFAOYSA-N 220.055 2.362 0 40 BEAB O=S1(=O)C=C(Nc2ccccc2Cl)CC1 111915256 ZLORAWDFCMAXII-UHFFFAOYSA-N 243.715 2.412 0 40 BEAB CCn1cc(CN(C)C(=O)c2ccoc2C)cn1 28221987 AEEVAZYUVLEDLD-UHFFFAOYSA-N 247.298 2.077 0 40 BEAB COC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1 58365036 HXSDGXAMUPIVHZ-WXHSDQCUSA-N 233.311 2.146 0 40 BEAB CCc1ncc(Br)cc1C(=O)O 59268889 PTNDGAROFITBAL-UHFFFAOYSA-N 230.061 2.105 0 40 BEAB Cc1ccsc1C(=O)N(C)Cc1cn[nH]c1 69763201 CVJMDKYSEXVGGT-UHFFFAOYSA-N 235.312 2.052 0 40 BEAB CCCCc1noc(CN(C)CCC)n1 63761560 MYVMCDPOEINSHO-UHFFFAOYSA-N 211.309 2.254 0 40 BEAB C[C@H](Nc1ncnc2c1cnn2C)c1ccco1 14266519 VPGQDYPJSSEPRN-QMMMGPOBSA-N 243.270 2.129 0 40 BEAB Cc1ccc(O[C@H]2CCCNC2)cc1C 14631705 ZOAYYILFLICKSD-ZDUSSCGKSA-N 205.301 2.434 0 40 BEAB COc1ccccc1Oc1ncccc1N 20278577 WXNUBSYRLSMAOI-UHFFFAOYSA-N 216.240 2.465 0 40 BEAB CC(C)CCN1C[C@]2(C)CNC[C@](C)(C1)C2 66442606 VXEJACCJDQUKSR-OKILXGFUSA-N 224.392 2.354 0 40 BEAB biogenic CN(Cc1ccccc1)C[C@@H]1CCCNC1 20270218 UETMQEAPDZZSCO-CQSZACIVSA-N 218.344 2.118 0 40 BEAB C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCO1 16970916 ZTHUFHDZSOTLRE-CMPLNLGQSA-N 225.332 2.250 0 40 BEAB C[C@@H]1CC(C)(C)c2ccccc2N1CC(N)=O 96002346 IIMMDKRWBBNXCS-SNVBAGLBSA-N 232.327 2.048 0 40 BEAB CC(C)NC(=O)c1cc(-c2ccccc2)[nH]n1 9467074 QXISDVIVHXPSKW-UHFFFAOYSA-N 229.283 2.215 0 40 BEAB CCCN(CC(F)F)C(=O)N[C@H]1C[C@H]1C 71799473 JFYPROAWMPWVIG-SFYZADRCSA-N 220.263 2.082 0 40 BEAB Cc1cccc(C(=O)NCC(=O)C(C)(C)C)c1 72256816 DKERRRGKYABDGL-UHFFFAOYSA-N 233.311 2.340 0 40 BEAB O[C@H]1Cc2ccccc2[C@@H]1NC1CCSCC1 95969140 ZUBDGDRMDNVQLO-KBPBESRZSA-N 249.379 2.130 0 40 BEAB COc1ccc(C2(CN)CCCCC2)nc1 75089842 LUDJVLROGRFBSF-UHFFFAOYSA-N 220.316 2.251 0 40 BEAB O=C(O)/C=C\CCCCCCC(=O)O 32786229 XUNMWLWTZWWEIE-ALCCZGGFSA-N 200.234 2.052 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1c[nH]nc1C2 409421769 DZLBUAATSBQMNE-KWQFWETISA-N 249.314 2.406 0 40 BEAB c1ccc2c(c1)OCCC21CCNCC1 38812335 TWCBNOVLZABJAN-UHFFFAOYSA-N 203.285 2.090 0 40 BEAB COc1ccc(C2(C(=O)O)CC2)cc1Cl 71532977 IJNNWPMZHGIFOW-UHFFFAOYSA-N 226.659 2.465 0 40 BEAB COc1ccc([C@@H]2CCCN2C(C)=O)cc1 32819469 ZFYAMIVRZMXOKQ-ZDUSSCGKSA-N 219.284 2.379 0 40 BEAB Cc1cc2c(NCC(F)(F)F)nccn2n1 156934891 DZYOKNWRGSTPFB-UHFFFAOYSA-N 230.193 2.012 0 40 BEAB CCC(=O)N1CCCC[C@H]1c1ccnc(C)n1 72187526 VWGHVZLCABMBSG-LBPRGKRZSA-N 233.315 2.249 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@H](CO)CN2 71486745 RCOBPXQABAONOJ-VIFPVBQESA-N 205.301 2.486 0 40 BEAB Cc1cc(N2CCCCC2)ncc1[C@H](C)N 72223504 VMYKZNSLHJFKDM-NSHDSACASA-N 219.332 2.400 0 40 BEAB C[C@H]1CN(CCc2cccc(N)c2)C[C@@H]1C 86015189 HFTCNYIARDEQIU-RYUDHWBXSA-N 218.344 2.399 0 40 BEAB CN(CCCC(=O)O)c1ccc(F)cc1 49965262 LZCUXHGUJBNRNK-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB Nc1cc(-c2ccccc2)nn1C1CCNCC1 83351158 NTDVAQIRJMMRTB-UHFFFAOYSA-N 242.326 2.057 0 40 BEAB CCOC(=N)Cc1cncc(Br)c1 228928037 IYUOJNZKLZBZCM-UHFFFAOYSA-N 243.104 2.400 0 40 BEAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccoc1 96454455 OHUVNAZTIWFMJE-PWSUYJOCSA-N 237.299 2.071 0 40 BEAB CCN1CCN(Cc2ccccc2S)CC1 95738737 UGWYSMVXZKSMLD-UHFFFAOYSA-N 236.384 2.113 0 40 BEAB COCc1cccc(N)c1Br 234714414 NWSOUCMKFDCZKJ-UHFFFAOYSA-N 216.078 2.178 0 40 BEAB C[C@@](N)(CO)c1cc(Cl)cc(Cl)c1 95757563 AKWBIZPYSIOVLX-SECBINFHSA-N 220.099 2.160 0 40 BEAB CCn1nc(C)cc1NCc1cccn1C 256050556 FMPKDYCZGYTEHB-UHFFFAOYSA-N 218.304 2.162 0 40 BEAB FC(F)CNc1cccc([C@@H]2CCCN2)n1 257219707 DHUNWELOWJFSRB-QMMMGPOBSA-N 227.258 2.183 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccc(F)cc1 382676749 UYBZGFCZDXRZRL-UHFFFAOYSA-N 224.231 2.350 0 40 BEAB NCCCc1noc(-c2ccc3c(c2)CCC3)n1 54139046 JRSYIKARQMRZME-UHFFFAOYSA-N 243.310 2.117 0 40 BEAB CC(C)(C)OC(=O)NCCC[C@]1(C)CCCN1 88613839 GCUCPMRCMMNPFQ-CYBMUJFWSA-N 242.363 2.433 0 40 BEAB O=C(O)CCCc1cccc2c1OC(F)(F)O2 96171565 KHWNMCYBVKUVHV-UHFFFAOYSA-N 244.193 2.415 0 40 BEAB Cc1ccc(F)c(CNc2nc(C)no2)c1 97045273 MOEIFZOZJLYTJH-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB COCC[C@@H](NCc1cccn1C)C(C)C 95413096 VOXNAIUJBQQYAX-CYBMUJFWSA-N 224.348 2.176 0 40 BEAB CCCCNc1ccc(N)cc1C(=O)OC 41046207 ZIMYMIHDJNRSKS-UHFFFAOYSA-N 222.288 2.267 0 40 BEAB c1ccc(CN2CCC[C@@H]2c2cc[nH]n2)nc1 19695485 KTJVNEOPQKHVIC-CYBMUJFWSA-N 228.299 2.142 0 40 BEAB CCc1nc(CN2C[C@H](C)OC[C@H]2C)cs1 249042099 CTUFYUJCUZYSQS-ZJUUUORDSA-N 240.372 2.315 0 40 BEAB CC[C@H](C)NC(=O)Nc1cccc(C(N)=O)c1C 40527098 WCPYLSBBXOVYDN-QMMMGPOBSA-N 249.314 2.014 0 40 BEAB CC(C)COC(=O)n1c(=O)oc2ccccc21 517330 AUOCWXRAIMAMOY-UHFFFAOYSA-N 235.239 2.235 0 40 BEAB biogenic CCOC(=O)C(=O)Nc1ccccc1C(C)C 1618409 FOAJRCGDWYJLDV-UHFFFAOYSA-N 235.283 2.312 0 40 BEAB CCOc1ccc(C(=O)CNC2=NCCC2)cc1 3190164 VFBYJFPAPUPBDW-UHFFFAOYSA-N 246.310 2.050 0 40 BEAB NC(=O)COc1cccc(Oc2ccccc2)c1 3564439 BYHIPCAJSWRLNX-UHFFFAOYSA-N 243.262 2.343 0 40 BEAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 4291313 YWWJNWUVNHXUKS-VDTYLAMSSA-N 219.210 2.499 0 40 BEAB CSc1nnc([C@@H]2CCCNC2)n1C(C)C 5000661 UUHQSIWWVUENAX-SECBINFHSA-N 240.376 2.048 0 40 BEAB CCCC(=O)N1CCc2ccccc2C1 6039138 ZXTCTQAMMDMRTH-UHFFFAOYSA-N 203.285 2.371 0 40 BEAB Cc1ccc(CNC(=O)C[C@H](C)CC(=O)O)cc1 6788199 WMLNPCBEVWMWNX-NSHDSACASA-N 249.310 2.112 0 40 BEAB CCNC(=S)Nc1ccc(F)c(F)c1F 7571092 XKKQNDYKWGHFHX-UHFFFAOYSA-N 234.246 2.410 0 40 BEAB CCOCCOc1ccc(C=O)cc1OCC 9237662 SRKYQOBXQOGBCC-UHFFFAOYSA-N 238.283 2.313 0 40 BEAB NCC[C@@H](c1cccs1)N1CCCC1 11761653 LFEZDUSUPACDFK-JTQLQIEISA-N 210.346 2.234 0 40 BEAB Cc1ccc(NC(=O)c2csnn2)cc1 12062579 GQNGZAOZWLCAIO-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CCOc1cc(CNC)ccc1OC(F)F 12481180 QVCQSKHKCXHPSQ-UHFFFAOYSA-N 231.242 2.406 0 40 BEAB in-vitro NCCNc1ncc(Cl)c2sccc12 19721364 OZWZRDLPZIVIHW-UHFFFAOYSA-N 227.720 2.320 0 40 BEAB Fc1ccc(CNCCN2CCCC2)cc1F 20126743 RLDVVFFVXBRZQO-UHFFFAOYSA-N 240.297 2.150 0 40 BEAB O=C(O)CCc1c[nH]c2cccc(F)c12 20269211 BPNIIMPYUVZRNR-UHFFFAOYSA-N 207.204 2.324 0 40 BEAB CC(C)CNC(=O)C1(c2ccccc2)CC1 23239180 POBCYLADGOCURP-UHFFFAOYSA-N 217.312 2.490 0 40 BEAB Nc1ccccc1-c1cccc(C(=O)O)n1 26896549 NOFQODFKSHIMEW-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB CCN(CC)[C@@H](CN)c1cccc(OC)c1 32497125 FDSWKHRJTLVBAX-ZDUSSCGKSA-N 222.332 2.037 0 40 BEAB in-vitro CC[C@H]1CCCCN1C(=O)[C@@H](C)n1cccn1 32765521 HCKLXEZRWMDWCU-NEPJUHHUSA-N 235.331 2.235 0 40 BEAB Nc1c(O)cc(Cl)cc1Br 34579845 WNGKKOGQYGZQFO-UHFFFAOYSA-N 222.469 2.390 0 40 BEAB NCCCc1ccc(Br)cc1F 35321581 CPANZKFIPNQBFM-UHFFFAOYSA-N 232.096 2.480 0 40 BEAB in-vitro OC[C@@H]1CCCN1c1nc2ccccc2s1 39042040 HGVGZMWESQDWDF-VIFPVBQESA-N 234.324 2.257 0 40 BEAB CCn1c(CCN)nc2ccc(Cl)cc21 40417263 OVIWMYLIUBVUED-UHFFFAOYSA-N 223.707 2.211 0 40 BEAB CCc1ccc(C(=O)N2CCO[C@H](C)C2)s1 40477917 WJLMEEZUUOPPRC-SECBINFHSA-N 239.340 2.171 0 40 BEAB CC[C@H](C)C(=O)NCC1(N(C)C)CCCC1 40523091 IACRAPQYWQCMRL-NSHDSACASA-N 226.364 2.023 0 40 BEAB COc1cccc([C@H](O)c2ccco2)c1 41212475 GGTUCUAEQJYHHT-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB CC(C)(C)[C@@H](NS(C)(=O)=O)c1cccs1 41627187 WZIBMHDSPGWTQG-VIFPVBQESA-N 247.385 2.385 0 40 BEAB O[C@]12CCCC[C@H]1[C@H](c1ccncc1)NCC2 43157563 PJUBTLCOZIRUIS-IHRRRGAJSA-N 232.327 2.037 0 40 BEAB Clc1cc(Cl)nc(N2CCCC2)n1 44116762 LZHQEVZABXPJNN-UHFFFAOYSA-N 218.087 2.384 0 40 BEAB in-vitro O=C(O)[C@@H]1Cc2c(Cl)cccc2S1 62712018 DEXIXUHOXHEGAO-QMMMGPOBSA-N 214.673 2.441 0 40 BEAB C/C(=C\c1ccccc1)CN1CC[C@@H](CN)C1 65498359 VCZQLEOXZXJBCG-GLNPCMGASA-N 230.355 2.371 0 40 BEAB CCCN(N=O)S(=O)(=O)c1ccc(C)cc1 65748237 PTHJBDWJYAWGNI-UHFFFAOYSA-N 242.300 2.077 0 40 BEAB in-vitro CCCOC(=O)c1cc(N)ccc1N1CCCC1 70461609 KEZGMQKAEHVTJG-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB CC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1 71902930 FAINOKJHGNPYSO-CHWSQXEVSA-N 219.284 2.123 0 40 BEAB CN[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207662 XAMKXROYRZILBP-QWRGUYRKSA-N 242.363 2.384 0 40 BEAB CN1CCC[C@H](Cc2nccnc2Cl)C1 72363343 IBLDKRUXJUEPSM-SECBINFHSA-N 225.723 2.014 0 40 BEAB CC(=O)N1CCC[C@H](c2ccnc(C)c2)C1 72381448 MWCKNCGJZPWQFJ-ZDUSSCGKSA-N 218.300 2.116 0 40 BEAB COc1cc([C@@H](C)CCN)cc(OC)c1OC 76621365 IGTXPMJALPZKGY-VIFPVBQESA-N 239.315 2.165 0 40 BEAB Brc1ccnc([C@@H]2CCCN2)c1 83323803 QJDZPJKDJXHTBP-QMMMGPOBSA-N 227.105 2.269 0 40 BEAB CN(C(=O)OC(C)(C)C)C1CCC(N)CC1 83434117 IYBJCNYCFNJFKQ-UHFFFAOYSA-N 228.336 2.123 0 40 BEAB in-vitro O=C(C1CCOCC1)N1C[C@H]2CCCC[C@H]2C1 89818829 XPMUXKYNHPNVTI-BETUJISGSA-N 237.343 2.062 0 40 BEAB O=C(O)c1cncc(SC(F)(F)F)c1 91252885 LBHFYDUVQBOFIQ-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB CCCCCS(=O)(=O)NCc1ccsc1 95993342 LLPOHJSYQXDYKZ-UHFFFAOYSA-N 247.385 2.358 0 40 BEAB O=C1CCC(=O)C1C(=O)c1ccc(Cl)cc1 100675857 QGXNETCDGHUGBE-UHFFFAOYSA-N 236.654 2.071 0 40 BEAB CCOC(=O)c1cc(Cl)cc(N)c1C 125024287 JPBNZDDCYZIBEN-UHFFFAOYSA-N 213.664 2.407 0 40 BEAB COCCN(C(=O)CC1CC1)[C@H]1CC[C@H](C)C1 195580189 GFCAHIYJZZLGMT-AAEUAGOBSA-N 239.359 2.450 0 40 BEAB O=C1COc2ccc(-c3ccccn3)cc2N1 200226694 CDUAPEBMQJIQOC-UHFFFAOYSA-N 226.235 2.080 0 40 BEAB COc1nn(C)cc1NCc1ccccc1 256050783 GMJWDMZNVFVNQX-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB CCOC(=O)C(=O)c1cc(F)ccc1Cl 258519652 TVOJDNVQSORCRE-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB FC(F)(F)[C@@]1(c2ccccc2)COCCN1 306145521 HMBVPIVVXPSBEY-JTQLQIEISA-N 231.217 2.064 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 365422 YJHYLLFMJRSQLU-VIFPVBQESA-N 235.283 2.458 0 40 BEAB CN(C)P(CCP(C)C)N(C)C 1624241 ZZHHBWCWDZSOFZ-UHFFFAOYSA-N 208.226 2.163 0 40 BEAB CCC[C@@H](O)CNCc1ccc2ncccc2c1 1683601 KURJUJBBDDPEKM-CQSZACIVSA-N 244.338 2.485 0 40 BEAB CN1[C@H]2CC[C@@H]1CC1(C2)SCCS1 1720345 VKSXHWATSCYZAH-DTORHVGOSA-N 215.387 2.419 0 40 BEAB CCCCOc1ccc(CN)cc1OC 4227543 KDBHTBKQLVCHLZ-UHFFFAOYSA-N 209.289 2.333 0 40 BEAB CSc1ccc(-c2ccccn2)nn1 4357977 PAZLNYVUSLTUOU-UHFFFAOYSA-N 203.270 2.261 0 40 BEAB O=NN(c1ccccn1)c1ccccn1 4962863 PPNUGJLGGIEMTB-UHFFFAOYSA-N 200.201 2.296 0 40 BEAB CCOC(=O)C1(C(=O)OCC)CC=CC[C@H]1C 5014712 LKVLDEBTDJKEII-SNVBAGLBSA-N 240.299 2.085 0 40 BEAB O=C(c1ccoc1)N(Cc1cccnc1)C1CC1 6676331 PBNRBRDOEJNKQL-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB Cc1cc2ncn(-c3ncccn3)c2cc1C 8051971 VQUSGPGVSMAQAL-UHFFFAOYSA-N 224.267 2.432 0 40 BEAB C[C@@H](O)CNCc1cccc(Cl)c1Cl 8535099 JOMSJONIBQHODE-SSDOTTSWSA-N 234.126 2.464 0 40 BEAB COc1cccc(NC(=O)c2cc(C)on2)c1 8772406 UYFPITNNIZRPRK-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB Cc1cc(NC(=O)NCCc2ccccc2)no1 9253618 PCWIIFPORSJZJA-UHFFFAOYSA-N 245.282 2.347 0 40 BEAB O=C(CC1CCCC1)OCC(=O)c1ccc[nH]1 11029487 QJXLTYMSSBEHQE-UHFFFAOYSA-N 235.283 2.321 0 40 BEAB CC(C)c1cc(COCCCC(=O)O)no1 12398809 WKGDEGIFDLJKFS-UHFFFAOYSA-N 227.260 2.179 0 40 BEAB Cc1ccc(N[C@H]2CCCCNC2=O)cc1 12538017 YUVFGZMJRKFZBX-LBPRGKRZSA-N 218.300 2.076 0 40 BEAB Cc1nc(CNC(=O)CC(C)C)cs1 15832250 MVPSJUMKDMEDOX-UHFFFAOYSA-N 212.318 2.114 0 40 BEAB Nc1cc(-c2ccc(Br)o2)n[nH]1 19487309 JWLTUNHSNWSTDG-UHFFFAOYSA-N 228.049 2.014 0 40 BEAB CCc1cccc2ccn(CC(=O)O)c12 20077963 CSXNPBXXKIKCKK-UHFFFAOYSA-N 203.241 2.288 0 40 BEAB Cc1nn(C)c(C)c1CNCc1ccccc1 20086568 ZZPHNCAAIZIMOY-UHFFFAOYSA-N 229.327 2.327 0 40 BEAB O=C(O)Cc1c(Cl)ccc(F)c1F 21985413 RPTVDWIUTLULDO-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB in-vitro C[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 24535529 GTDJMJKDSOVCGW-SNVBAGLBSA-N 219.288 2.345 0 40 BEAB CCc1c(-c2cc(F)ccc2F)n[nH]c1N 36916172 KTNSFINROWNQSN-UHFFFAOYSA-N 223.226 2.500 0 40 BEAB CCC(C)(C)NC(=O)/C=C/c1c(C)nn(C)c1C 37077268 JWADHRIMNWTSNC-CMDGGOBGSA-N 249.358 2.355 0 40 BEAB OCc1ccccc1NCc1cccnc1 37133689 FBFNOVSOAOICPV-UHFFFAOYSA-N 214.268 2.186 0 40 BEAB OC[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 42434685 ZMQNJFPZLDLYEF-SECBINFHSA-N 246.232 2.062 0 40 BEAB CC(=O)NCc1ccc(Br)s1 45526225 DACHBUGAIASQSE-UHFFFAOYSA-N 234.118 2.147 0 40 BEAB Cc1ccc(NC(=O)c2cccc[n+]2[O-])cc1C 46085507 AGJNSZYKARBQOV-UHFFFAOYSA-N 242.278 2.189 0 40 BEAB O=S(=O)(O)c1ccc(Cl)c2cnccc12 65739304 LNDJWBVKJWGPQK-UHFFFAOYSA-N 243.671 2.135 0 40 BEAB in-vitro COc1cc2cc[nH]c(=O)c2cc1Cl 71482393 SNCIBVDVRDWLLL-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB COc1cc(N)ccc1-c1ccc(C(=O)O)o1 73640301 NKPBTWYEDNPYSX-UHFFFAOYSA-N 233.223 2.236 0 40 BEAB Cc1cnn(-c2ccc(Cl)cc2)c1N 77301086 XWKWLTBHPGLFTM-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB O=CNc1cccc(C2(C(F)(F)F)N=N2)c1 77319772 LNJCRRYRSAHCDV-UHFFFAOYSA-N 229.161 2.436 0 40 BEAB in-vitro CN(CCc1ccccc1)C[C@@H]1CCCCN1 88195046 CTLXLONAXQHHEF-HNNXBMFYSA-N 232.371 2.303 0 40 BEAB CC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 89735831 GFSCEBAWGKRIDW-JTQLQIEISA-N 243.310 2.378 0 40 BEAB C[C@H](CSCCC(N)=O)c1ccccc1 95993987 GPAXREWHQRPJTE-SNVBAGLBSA-N 223.341 2.399 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96070584 WODREFHSOGYAAV-FPMFFAJLSA-N 232.327 2.081 0 40 BEAB Cc1nc(-c2nc([C@@H]3CCOC3)no2)cs1 96136499 LRELFJXAUICVLR-SSDOTTSWSA-N 237.284 2.005 0 40 BEAB C[C@]1(CO)CCC[C@@H]1Nc1cccc(F)n1 96427226 RILYTQYABVNSCC-JOYOIKCWSA-N 224.279 2.184 0 40 BEAB O=C(O)[C@]1(C(F)(F)F)C[C@@H]2C=C[C@@H]1C2 103548797 IVQQRSCSISNRNA-JKMUOGBPSA-N 206.163 2.216 0 40 BEAB O=C(O)c1nc2ccccc2n1C1CC1 107289313 LXLXUXFDJWUYED-UHFFFAOYSA-N 202.213 2.069 0 40 BEAB C[C@@H]1CCCCN1C(=O)NO[C@H]1CCCCO1 166917576 BYVAZLWJPPJEBV-MNOVXSKESA-N 242.319 2.029 0 40 BEAB CN(C)c1cccc([Si](C)(C)C)c1F 195759192 BEQBQRAWKNJFKP-UHFFFAOYSA-N 211.356 2.437 0 40 BEAB CCOC(=O)C(F)(F)c1cc2cnccc2o1 218704770 LSUYRCPKSBKCSS-UHFFFAOYSA-N 241.193 2.483 0 40 BEAB COc1ccccc1N1CCN[C@H]2CCC[C@H]21 218844176 MRRFDVJNTZLNCG-NWDGAFQWSA-N 232.327 2.026 0 40 BEAB CN(Cc1ccncc1)C1CC2(CCNCC2)C1 306128156 GSDJHNKEIOHMEC-UHFFFAOYSA-N 245.370 2.046 0 40 BEAB CCOC(=O)c1cnc(Br)cc1C 306902204 PXMWRABNXRIBLO-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccccc1N(C)C 575358363 XGZAXDCOLIDGBO-UHFFFAOYSA-N 249.310 2.277 0 40 BEAB Cc1ncnc(OC2CCSCC2)c1C 585652695 SOUFIXLYABSODZ-UHFFFAOYSA-N 224.329 2.368 0 40 BEAB CN(C(=O)c1cnco1)C1(C)CCCC1 683892002 AZRSJVOETACALH-UHFFFAOYSA-N 208.261 2.079 0 40 BEAB OCc1c(Br)cnn1C1CCCC1 953122999 AOGLFNNWOVKWPV-UHFFFAOYSA-N 245.120 2.253 0 40 BEAB Cc1nnc2c(NC(C)C)nc3ccccc3n12 88989 ZJNUTAGVLKRYRI-UHFFFAOYSA-N 241.298 2.406 0 40 BEAB COc1cc(OC)c2c(c1)OC(C)(C)CC2=O 338166 CTHKYWHUQSYHGU-UHFFFAOYSA-N 236.267 2.448 0 40 BEAB biogenic,in-vitro O=C(Nc1nncs1)c1ccccc1Cl 892656 HOOACUBPWLPNGB-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 76687030 YAMNFYBTMVKZCI-LLVKDONJSA-N 242.363 2.386 0 40 BEAB in-vitro Cn1nc2c(c(Cl)c1=O)Nc1ccccc1O2 1589426 GATOMHWOUYJEMA-UHFFFAOYSA-N 249.657 2.283 0 40 BEAB CCCN(CC1CC1)c1cccc(C(=O)O)n1 3299690 DYBIFLHLDWENLS-UHFFFAOYSA-N 234.299 2.406 0 40 BEAB CNCc1ccc(F)c(Br)c1 22163103 PHSSCQKIEHFJLP-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB COc1cc(C)cc(OC)c1/C=C\C(=O)O 7995895 XCTXJHNBAGXPMI-PLNGDYQASA-N 222.240 2.110 0 40 BEAB in-vitro CONC(=O)CCSc1ccc(Cl)cc1 53720309 YPPBRRNOPVUNTE-UHFFFAOYSA-N 245.731 2.500 0 40 BEAB CC(=O)CCCN(C)Cc1ccccc1 50132557 VSHJMQMWJAGZPP-UHFFFAOYSA-N 205.301 2.488 0 40 BEAB Cc1ccc(/C=C/C2=NNC(=O)CC2)cc1 1387434 JSRXRGNLTUGNFP-VOTSOKGWSA-N 214.268 2.274 0 40 BEAB CN(C)C(=O)c1ccccc1C(F)(F)F 57027121 OAFRDSSUXAKUIU-UHFFFAOYSA-N 217.190 2.407 0 40 BEAB CCO/N=c1/c(=O)c2cccc3cccc1c32 17695934 JLRDXMFPWBPCOL-FYWRMAATSA-N 225.247 2.081 0 40 BEAB CCN(Cc1ccccc1Cl)C(=O)COC 44909343 OKZJCJYMYXLACJ-UHFFFAOYSA-N 241.718 2.335 0 40 BEAB O=C(O)c1cn[nH]c1-c1ccccc1Cl 8700066 HXXALKIHVJHCQL-UHFFFAOYSA-N 222.631 2.428 0 40 BEAB in-vitro Cc1cc(C=O)c(C)n1Cc1ccncc1 6678044 SNYOVWYDEUFGLX-UHFFFAOYSA-N 214.268 2.361 0 40 BEAB CC[C@H](C)NCC(=O)Nc1ccc(F)c(F)c1 6602947 AFWPFRGHENQQET-QMMMGPOBSA-N 242.269 2.291 0 40 BEAB Cc1cc2[nH]nc(Br)c2cc1N 14985772 QANHUNMOMXHWPX-UHFFFAOYSA-N 226.077 2.216 0 40 BEAB in-vitro CN(C)C(=O)C[C@H]1CNc2ccc(Cl)cc21 71372287 PTXOWJMPCITEGY-QMMMGPOBSA-N 238.718 2.327 0 40 BEAB in-vitro Cc1ccc(C(=O)N[C@H]2CNCC[C@H]2C)cc1C 71412618 YTODCVWOMCMBMV-RISCZKNCSA-N 246.354 2.031 0 40 BEAB CC(C)N(C)CCCNC(=O)OC(C)(C)C 96412983 FVNDXBXDPSXJTL-UHFFFAOYSA-N 230.352 2.241 0 40 BEAB CC/C=C/COC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 71859288 XIZCHDVRYIZLJD-GKUNOOHESA-N 234.299 2.033 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCNC[C@H]2C)c(C)c1 94345062 KRBNHAITKITMIX-OCCSQVGLSA-N 246.354 2.031 0 40 BEAB C/C=C(\C)C(=O)N[C@@H](CCCCC)C(=O)O 97036361 AVPKRTJGAIGVDG-CYNRKNSPSA-N 227.304 2.102 0 40 BEAB CCc1ncc2c(n1)CN(CC=C(C)C)CC2 72268481 IXJWOFJCSSBJIS-UHFFFAOYSA-N 231.343 2.363 0 40 BEAB CCOC(=O)c1cn(-c2ccccc2)nc1C 66324465 HUSYDQBISBQGTN-UHFFFAOYSA-N 230.267 2.357 0 40 BEAB COC[C@H](C)NCc1ccc(C)c(C)c1 34991605 MHKNWWGENAQDRG-LBPRGKRZSA-N 207.317 2.428 0 40 BEAB CCCNC(=O)[C@@H]1Cc2ccccc2S1 32878774 XFCYHXVNWKPPIV-NSHDSACASA-N 221.325 2.230 0 40 BEAB CC(C)(C)n1nccc1[C@H]1CCCCN1 75869334 UFZWEBFRVWRJDT-SNVBAGLBSA-N 207.321 2.453 0 40 BEAB C[C@H]1CCCN(c2nsnc2Cl)C1 35232143 RJUORRFFGRRLTL-LURJTMIESA-N 217.725 2.428 0 40 BEAB Cc1cc(C)cc(C(=O)NCC2CC2)c1 32909798 NYWAXNZAMGRIIV-UHFFFAOYSA-N 203.285 2.443 0 40 BEAB CC(C)n1cnc2c1CCC[C@H]2CCN 76088503 OFJFAGAKTXJUFG-JTQLQIEISA-N 207.321 2.233 0 40 BEAB COc1ncc(Br)c2[nH]ccc12 89220830 UHQNUCQNVVRWNR-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB Cc1ccccc1CN(CC(N)=O)C1CCCC1 48575073 AZBTYBDWXGQRAP-UHFFFAOYSA-N 246.354 2.225 0 40 BEAB N=C(N)Cc1cc(C(F)(F)F)ccc1F 84931411 PHGQYSCQOOOHFW-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB Cc1cc(NC(=O)C[C@@H]2C=CCC2)n(C)n1 43839204 DBOJNDJUIJTNJF-SNVBAGLBSA-N 219.288 2.023 0 40 BEAB O=C([C@@H]1CCCOC1)N1CCc2ccc(F)cc21 89807214 SMTDIDDYBROVFC-LLVKDONJSA-N 249.285 2.141 0 40 BEAB CCOC(=N)Cc1cc(OC)cc(OC)c1 228954933 CJTFKBVFWUTNKI-UHFFFAOYSA-N 223.272 2.260 0 40 BEAB CC(=O)N1CCSC[C@@H]1c1ccc(C)o1 81346338 BALWWRCKNQPXDG-SNVBAGLBSA-N 225.313 2.224 0 40 BEAB O=Cc1ccc(F)cc1COC[C@@H]1CCCO1 95738717 HWDAWAOLBWVPCX-ZDUSSCGKSA-N 238.258 2.334 0 40 BEAB CC(C)(C)OC(=O)N1CCc2[nH]ccc2C1 98091085 UNZQCIQMMSQIKM-UHFFFAOYSA-N 222.288 2.308 0 40 BEAB CC(C)(C)c1csc(COCC(=O)O)n1 96528215 GHQRKNADJYXVFL-UHFFFAOYSA-N 229.301 2.042 0 40 BEAB CCCN1CCCc2c(CN)cccc21 96510240 SBCDZYLQGUGXOI-UHFFFAOYSA-N 204.317 2.308 0 40 BEAB CCN(Cc1ccoc1)c1nc(C)ns1 96456174 FNDWVADCCKYKHK-UHFFFAOYSA-N 223.301 2.466 0 40 BEAB O=C(c1cncc(Cl)c1)C(F)(F)F 91356117 KBKHYZLVWOLSRV-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB CCOCCCNCc1ccnn1[C@@H](C)CC 256054958 YMLGKAGLRWSHEF-LBPRGKRZSA-N 239.363 2.370 0 40 BEAB CCCCNCc1cnn(CC(F)F)c1C 256049743 BGAGYZGBXGJSBG-UHFFFAOYSA-N 231.290 2.346 0 40 BEAB O=C(CCc1ccccc1)NO[C@@H]1CCCCO1 63991131 CJRSLHUITQFYDG-CQSZACIVSA-N 249.310 2.194 0 40 BEAB CC(C)OC(=O)[C@H]1[C@@H](C)C1(Cl)Cl 2381228 JFFYDGAPRCIEIN-PHDIDXHHSA-N 211.088 2.378 0 40 BEAB Cc1ccc(C(=O)CCCC(=O)O)c(O)c1 5051969 BXYMOIQVBYOEFY-UHFFFAOYSA-N 222.240 2.138 0 40 BEAB O=C(O)CCN1CCC[C@@H]1c1ccc(F)cc1 12398739 RGSICMVVHDDALV-GFCCVEGCSA-N 237.274 2.437 0 40 BEAB Cc1c([C@H](C)N)cnn1-c1ccc(F)cc1 12896329 NYCUYYYDOOFYPC-QMMMGPOBSA-N 219.263 2.340 0 40 BEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 12931347 KAIOSRQHKAAEBN-BXKDBHETSA-N 237.274 2.182 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@@H]3[C@H]([C@@H]12)C3(C)C 13423769 OQKJKCCRSOBXLL-VZGVWICMSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro O=C(O)C(F)(F)C(F)(F)/C(F)=C/Cl 2540196 VVMMFOBAGFALDI-UPHRSURJSA-N 224.512 2.391 0 40 BEAB C/C=C\C=C/C=C/CN1C=CCC(C(N)=O)=C1 5371909 VCRJFKPDWHKLQP-MUVPYGFYSA-N 230.311 2.264 0 40 BEAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)C1CC1 41298932 PQEYCAAWPRJKPV-GFCCVEGCSA-N 247.294 2.037 0 40 BEAB C[C@@H]1c2cccn2CCN1C(=O)c1ccncc1 30797131 NIJLRJBNANHBLU-LLVKDONJSA-N 241.294 2.100 0 40 BEAB COC(=O)c1cccc2cc(CCO)ccc12 2298133959 DYDQXBWINCOBEG-UHFFFAOYSA-N 230.263 2.161 0 40 BEAB CCCOC(=O)Cc1ccc(OC)cc1 1615222 RIEKNUTZBRBQRY-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB Cc1noc(C)c1C(=O)NCc1ccccc1 3105232 GIMCMADGNGMRAZ-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB Cc1cc(CN(C)C)n(-c2ccccc2)n1 5793225 DYNAQCHWXOVFJL-UHFFFAOYSA-N 215.300 2.242 0 40 BEAB CCOC(=O)[C@H](C)OC(=O)c1ccc(C)cc1 5832679 QYKVWRCALWZFLV-JTQLQIEISA-N 236.267 2.103 0 40 BEAB NC(=S)NCC12CC3CC(CC(C3)C1)C2 5839064 OLNMWJVNWXUTLA-UHFFFAOYSA-N 224.373 2.036 0 40 BEAB Nc1ccccc1NC(=O)COc1ccccc1 6269709 IWAXFIOOFMLCCI-UHFFFAOYSA-N 242.278 2.286 0 40 BEAB Cc1nnc(SCc2ccccc2)n1C 9145147 IMFNWHUJWYTNIN-UHFFFAOYSA-N 219.313 2.416 0 40 BEAB CONC(=O)c1ccc2[nH]c(C)c(C)c2c1 12730986 VEDARMMFUWVUHP-UHFFFAOYSA-N 218.256 2.076 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 14788452 OEEZXWYOYOXHMF-KCJUWKMLSA-N 233.267 2.068 0 40 BEAB CCCN(CCC)c1cc(C(=O)O)ccn1 19844711 GEZXWYXVYBSDDQ-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB CCOC(=O)c1nsc(-c2ccccc2)n1 29123997 SEAHRCSDOPUOKR-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB CCN(CC)C(=O)c1ccc2snnc2c1 33660440 BUZXICABZFZTOQ-UHFFFAOYSA-N 235.312 2.173 0 40 BEAB NCCNC(c1ccccc1)c1ccccc1 37712569 PRVZYDDRMVHWOS-UHFFFAOYSA-N 226.323 2.324 0 40 BEAB C[C@H](NCc1ccccc1)c1cc[nH]n1 37906343 KQGLAUZGLZGSGA-JTQLQIEISA-N 201.273 2.261 0 40 BEAB in-vitro C[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 40513676 OIHBMEBIGWWMPH-NSHDSACASA-N 247.342 2.020 0 40 BEAB CC(C)Cc1nnc(NC(=O)[C@H]2C[C@@H]2C)s1 42047899 PKHAWROBGLPYHN-YUMQZZPRSA-N 239.344 2.331 0 40 BEAB CC(C)=CC(=O)NCc1ccccc1F 42523584 FEZOUEILJWGBFD-UHFFFAOYSA-N 207.248 2.408 0 40 BEAB Cc1ccc(CNC(=O)Nc2cc(C)on2)cn1 44970481 TZEJEPAGRXJLMT-UHFFFAOYSA-N 246.270 2.008 0 40 BEAB Cc1cnc(C(=O)N(C2CCCC2)C2CC2)cn1 58667950 WTKXYZFKCOFFLD-UHFFFAOYSA-N 245.326 2.332 0 40 BEAB CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)CC(C)C 67910631 VRFPFDNXSDOUIR-WDEREUQCSA-N 243.347 2.127 0 40 BEAB O=C(c1ccco1)N1CCOc2ccccc2C1 70263981 GEQAASKIQLTUOJ-UHFFFAOYSA-N 243.262 2.314 0 40 BEAB c1cc(N2CCCC2)ncc1[C@@H]1CCCN1 72215904 RUXOOJLVDPWHMV-LBPRGKRZSA-N 217.316 2.106 0 40 BEAB Cc1noc([C@H]2CCN(C3CCCC3)C2)n1 72356833 WBSNTULMMPGVAN-JTQLQIEISA-N 221.304 2.110 0 40 BEAB CO[C@H](c1ccccc1)c1nc(CN)cs1 72417717 UGCKBASAJDERSO-LLVKDONJSA-N 234.324 2.338 0 40 BEAB COCCSCCC(=O)Nc1ccccc1 78555688 GZPCAEDWMLFPGH-UHFFFAOYSA-N 239.340 2.395 0 40 BEAB CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1 82164383 ZLVXMRWSDDVRFP-SWLSCSKDSA-N 247.386 2.210 0 40 BEAB in-vitro Cc1ccc(-c2cccn3nc(N)nc23)cc1 82730745 HXBXPHPEFDUFJP-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB C/C=C/C(=O)N(C)[C@H](C)[C@H](O)c1ccccc1 83295320 CCCWVBDIDOTWGV-MUPFWISGSA-N 233.311 2.143 0 40 BEAB CCCCC(=O)c1ccc(C(=O)OC)o1 85394228 QZCOMWJDAZFFJP-UHFFFAOYSA-N 210.229 2.439 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CC[C@@H]1CO)CC2 91304477 SINYZZWXJNWNAG-SNVBAGLBSA-N 241.331 2.158 0 40 BEAB CN(CCCNc1ccccc1)c1ncccn1 95394317 CDSKOOWFZTXVHV-UHFFFAOYSA-N 242.326 2.415 0 40 BEAB CCC[C@](C)(COC(N)=O)COC(=O)OCC 95917750 MXHBFBLYKZWOBX-LLVKDONJSA-N 247.291 2.061 0 40 BEAB C[C@H](OC(=O)[C@@H]1CCCCN1C)c1cccnc1 95962713 HUKXNULISVPKPZ-AAEUAGOBSA-N 248.326 2.170 0 40 BEAB Cc1cccc(NC(=O)N(C)C[C@H]2CCCO2)n1 96013080 VMZUUHRIMZSDTD-LLVKDONJSA-N 249.314 2.033 0 40 BEAB CN1CCc2ncnc(-c3ccccc3)c2CC1 96255371 LBEKUWDLMKXNMB-UHFFFAOYSA-N 239.322 2.174 0 40 BEAB CN(C)c1noc(-c2cncc3ccccc23)n1 96487422 QLJIMQHJWFWAJC-UHFFFAOYSA-N 240.266 2.351 0 40 BEAB COCCn1cc(N[C@H](C)C(C)(C)C)cn1 97037866 XQHATIFAGDIVQW-SNVBAGLBSA-N 225.336 2.376 0 40 BEAB CC(C)NC(=O)c1c(N)sc2c1CCCC2 104279460 BWILEBUWTSSKSE-UHFFFAOYSA-N 238.356 2.347 0 40 BEAB in-vitro CCOC(=O)[C@@H]1CC2(CCC(F)(F)CC2)CN1 107269707 AQVNNRMWSMEXIL-VIFPVBQESA-N 247.285 2.107 0 40 BEAB CC(C)[C@@H](C)SCCCN1CCN(C)CC1 130907498 SVOAWDFAGULDCM-CYBMUJFWSA-N 244.448 2.402 0 40 BEAB O=C(Nc1cccnc1)N1C[C@H]2CCC[C@@H]2C1 150820656 ZFDOAFOHXIHZBF-GHMZBOCLSA-N 231.299 2.345 0 40 BEAB Cc1cc(N[C@H](C(=O)O)C(C)C)cc(C)c1N 223773678 BGWCMBMQUJQUTR-LBPRGKRZSA-N 236.315 2.407 0 40 BEAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)C 225721949 DQONXOHIPLOHGQ-LLVKDONJSA-N 247.338 2.421 0 40 BEAB CC(C)(C)c1ccc(-n2nc(N)c(S)n2)cc1 226820136 LKPAGQWZGLHDEO-UHFFFAOYSA-N 248.355 2.436 0 40 BEAB Cc1cc(N)c(N2CCC[C@@H](C(=O)O)C2)cc1C 256052280 MQWIAAYKRKJCPJ-LLVKDONJSA-N 248.326 2.187 0 40 BEAB CC[C@@]1(C)C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 256054228 VMWKUNWKNWCOQY-RYUDHWBXSA-N 243.303 2.155 0 40 BEAB FC1(c2nc(-c3ncc[nH]3)no2)CCCC1 336433922 BRYOSEHQWYLGDK-UHFFFAOYSA-N 222.223 2.199 0 40 BEAB COc1ccccc1C(=O)C(C)(C)OC(C)=O 575358550 QUGAXFRGTOJUGB-UHFFFAOYSA-N 236.267 2.220 0 40 BEAB COc1cccnc1N1CCC[C@H](C)C1 623788849 SZXLDXIBVLEUTC-JTQLQIEISA-N 206.289 2.327 0 40 BEAB C[C@@](CN)(Cc1c(F)cccc1Cl)C(=O)O 11979619 FCIIPADFOOAKAY-NSHDSACASA-N 245.681 2.071 0 40 BEAB C[C@@H](O)CNCc1ccc(Cl)c(Cl)c1 8535072 GWJXEIVLHPCSAF-SSDOTTSWSA-N 234.126 2.464 0 40 BEAB Cc1cnc(CN2CCC[C@@H]2c2noc(C)n2)o1 76047184 JCBRFCDHERQZIA-SNVBAGLBSA-N 248.286 2.012 0 40 BEAB c1ccc(-c2csc3[n+]2CCN3)cc1 1597996 OZNXXVWKDIUAJB-UHFFFAOYSA-O 203.290 2.128 0 40 BEAB Clc1nc2ccccc2nc1N1CC1 1674866 UCPNGDHLKPSPPV-UHFFFAOYSA-N 205.648 2.103 0 40 BEAB COc1c(C)cnc(CS[C@H](C)CO)c1C 79103145 DMRQDRYAQAUBMZ-SECBINFHSA-N 241.356 2.321 0 40 BEAB Cc1cc(C(F)(F)F)nn1C(=O)C(F)(F)F 2530935 YTHGRSOAWXEOEI-UHFFFAOYSA-N 246.110 2.413 0 40 BEAB CCCOc1cc(=O)[nH]c2ccc(OC)cc12 2706758 WIFMYIMUBPXXEG-UHFFFAOYSA-N 233.267 2.326 0 40 BEAB FC(F)(F)c1cc(Br)no1 4198775 QNRHCAQNLPLUOM-UHFFFAOYSA-N 215.956 2.456 0 40 BEAB in-vitro C[C@@H]1CNCCN1Cc1cccc(Cl)c1 54373127 LNTSUUZINYEMMR-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB C[C@H]1CCCN(C[C@H](O)c2ccccc2)C1 34799578 SLZSDRMJALYSCC-JSGCOSHPSA-N 219.328 2.452 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NC[C@@H]1COc2ccccc2C1 28072862 FDQNCMVCDPEIMF-NQBHXWOUSA-N 245.322 2.010 0 40 BEAB COCCN(Cc1ccco1)C(=O)c1ccoc1 45417385 RFPJSFRNHULUSA-UHFFFAOYSA-N 249.266 2.161 0 40 BEAB CC1(C)COC(c2ccccc2N)OC1 45930450 SUKOLULEUSLQJK-UHFFFAOYSA-N 207.273 2.340 0 40 BEAB Fc1ccccc1CNCCCn1ccnc1 2522998 HKHHKORRQXFOGZ-UHFFFAOYSA-N 233.290 2.202 0 40 BEAB NCCCc1nc(-c2ccccn2)cs1 11887261 OOZXATAEJYNDFX-UHFFFAOYSA-N 219.313 2.096 0 40 BEAB C/C(=C\C(=O)Nc1nccs1)N1CCCC1 5287531 JTEXTBSAEVEDFH-CMDGGOBGSA-N 237.328 2.081 0 40 BEAB Cc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 23185394 IPTUTSLFWASAIY-LBPRGKRZSA-N 246.310 2.071 0 40 BEAB CCCNCc1ccc(OC)c(OC)c1OC 7262373 ANKQTATYHPSMFQ-UHFFFAOYSA-N 239.315 2.212 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)CCC[C@@H]21 91301906 GRNSGJOKGICXGO-UWVGGRQHSA-N 239.315 2.365 0 40 BEAB in-vitro CNC(=O)c1ccc(-c2ccsc2)nc1C 69594914 XKUHSOOHVJEBCI-UHFFFAOYSA-N 232.308 2.478 0 40 BEAB COc1ccc(C)nc1NC(=O)NCC(C)C 97378652 WAAOKLMRSNWJPH-UHFFFAOYSA-N 237.303 2.176 0 40 BEAB NCCC1=CCN(Cc2ccccc2)CC1 95221238 AEIPCPONNXJDMH-UHFFFAOYSA-N 216.328 2.168 0 40 BEAB CCCCCCN1CCCC[C@@H]1C(=O)NC 84743101 IHLDIWIERKOQSV-GFCCVEGCSA-N 226.364 2.167 0 40 BEAB Nc1cc2c(cc1Br)OCCCO2 20470612 IEVXYSYKDWUMCX-UHFFFAOYSA-N 244.088 2.193 0 40 BEAB O=C(O)CCNc1ccc(F)c(Cl)c1 20133740 GXYUMSUZNXHJBZ-UHFFFAOYSA-N 217.627 2.366 0 40 BEAB COc1cc(F)cc([C@H]2CCCNC2)c1 38539412 QOYAAJZWWOLDJD-VIFPVBQESA-N 209.264 2.301 0 40 BEAB CNC(=O)c1ccc(NCCC(C)C)c(N)c1 212138139 IMRUROPUKOTKHJ-UHFFFAOYSA-N 235.331 2.086 0 40 BEAB C[C@@](CN)(c1cccs1)N1CCCCC1 70453217 LTHWKBJZIGQDIN-GFCCVEGCSA-N 224.373 2.408 0 40 BEAB Cc1nn(C)c2c(Cl)nc(C3CC3)nc12 39613392 LHDTXDSGFSJVQF-UHFFFAOYSA-N 222.679 2.203 0 40 BEAB Nc1onc2c(F)c(Br)ccc12 2362803724 BUBMDMGZBLMYIP-UHFFFAOYSA-N 231.024 2.312 0 40 BEAB CC[C@@H](C(=O)OC)c1ccc(C2CNC2)cc1 2362804940 VYVMDZHPIJWTGI-CYBMUJFWSA-N 233.311 2.040 0 40 BEAB O=C(O)Cc1c(Cl)c(F)nc(F)c1Cl 72284035 SGLXACHKHUYVJQ-UHFFFAOYSA-N 242.008 2.294 0 40 BEAB Cc1nc(NCc2ccccc2)ccc1CO 72224403 OOIZXMWZNWPISB-UHFFFAOYSA-N 228.295 2.494 0 40 BEAB CCN1CCC[C@H]1c1cnc(O)cc1C 72218132 MOJFHVHYVXQKNE-NSHDSACASA-N 206.289 2.252 0 40 BEAB Cc1ccc(-c2[nH]ncc2C(=O)NC2CC2)cc1 72328911 FCYHCULRTLAQIZ-UHFFFAOYSA-N 241.294 2.277 0 40 BEAB Cc1cc(C)c2nc(N3C=NNC=N3)sc2c1 40538097 SOVVCIXHMDNTKS-UHFFFAOYSA-N 245.311 2.209 0 40 BEAB Cc1[nH]nc(C(=O)O)c1-c1ccccc1 82237860 DAAKPKWRIKQBQM-UHFFFAOYSA-N 202.213 2.083 0 40 BEAB O=C(O)C[C@@H]1CCCN(c2ccccc2)C1 84488134 PRRYOOVUVJZMHA-NSHDSACASA-N 219.284 2.378 0 40 BEAB CCc1nnc2sc(-c3cccc(O)c3)nn12 134176992 AJESOXVLXSJHJP-UHFFFAOYSA-N 246.295 2.121 0 40 BEAB CC(=O)c1ccc([C@@H]2CNC(=O)C2)cc1Cl 199776557 YETFRQLJMNUWSN-VIFPVBQESA-N 237.686 2.146 0 40 BEAB COCC(=O)N(C)c1ccc(F)c(Cl)c1 95989011 XCFBFQLMZFAZRP-UHFFFAOYSA-N 231.654 2.088 0 40 BEAB O=Cc1ccccc1COC[C@@H]1CCCO1 95738660 PTFQTNRQYRMCPP-ZDUSSCGKSA-N 220.268 2.195 0 40 BEAB CS(=O)(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 96510111 DSGGSQLUTHOFJP-ZJUUUORDSA-N 230.716 2.241 0 40 BEAB Oc1ccccc1-c1nc([C@@H]2CCCO2)n[nH]1 95532232 IJUDGNGNQUPWGS-JTQLQIEISA-N 231.255 2.029 0 40 BEAB CO[C@@H]1CCC[C@@H]2CN(c3ncc(C)cn3)C[C@@H]21 96248985 HAWYPWZDLSXXTE-FRRDWIJNSA-N 247.342 2.036 0 40 BEAB NC[C@H](CC(=O)c1ccccc1)C(F)(F)F 256054706 XKZZENNZLVZCPH-VIFPVBQESA-N 231.217 2.397 0 40 BEAB Cc1cc(CN2CCC[C@@H]2c2cnccn2)no1 257259861 LAIOJWFUCLFFRX-CYBMUJFWSA-N 244.298 2.110 0 40 BEAB COCC(=O)c1ccc(Cl)cc1F 86521578 BCNFRFXJYVUFNA-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 44575024 RKDGWGVZONGCQA-KWQFWETISA-N 243.266 2.331 0 40 BEAB Cc1ccccc1OC[C@@]1(O)CCN(C(C)C)C1 1615140098 BWRPUUNHNMANDI-OAHLLOKOSA-N 249.354 2.219 0 40 BEAB CC(C)C(NC(=O)c1cccnc1)C(C)C 225428227 XUKXWKUTQLXCBO-UHFFFAOYSA-N 220.316 2.492 0 40 BEAB CC(C)OC(=O)Nc1cccc(C(=O)O)c1 1652121 YQZCBYMQSLHUAG-UHFFFAOYSA-N 223.228 2.342 0 40 BEAB c1cc2ccc(N3CCNCC3)cc2s1 220304627 MMITVXXLENXLDZ-UHFFFAOYSA-N 218.325 2.311 0 40 BEAB Clc1ccc(O[C@@H]2CN3CCC2CC3)nc1 585655258 ZFTPUGYFLJEYRC-LLVKDONJSA-N 238.718 2.208 0 40 BEAB Cc1cncc(OC2CCSCC2)n1 585651940 SGRREMSXTKGPEY-UHFFFAOYSA-N 210.302 2.059 0 40 BEAB CCOc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 20392441 LPXOGNLUMUAOSY-MNOVXSKESA-N 206.241 2.273 0 40 BEAB O=C1O[C@@H](Nc2nccs2)c2ccccc21 104261 ZQWUKVVSXIBRAJ-SECBINFHSA-N 232.264 2.424 0 40 BEAB COC(=O)CCC(=O)Nc1cccc(Cl)c1 266124 TUAOEXYJOVOKCK-UHFFFAOYSA-N 241.674 2.232 0 40 BEAB CCOC(=O)C[C@H]1C[C@@H](C(=O)OCC)C1(C)C 1627027 FJYUJCOPVWAEOU-ZJUUUORDSA-N 242.315 2.165 0 40 BEAB COc1ccc(OP(=O)(OC)OC)cc1 1689475 PHQVYYOBMMIRNS-UHFFFAOYSA-N 232.172 2.475 0 40 BEAB COC(=O)[C@@]1(C)CC(F)(F)[C@@]1(F)Cl 2540363 VGWGXHZRSLQQGI-IYSWYEEDSA-N 216.586 2.109 0 40 BEAB O=C(O)c1cn2cc(Cl)cc(Cl)c2n1 3742145 OKRIIMVNXKTCPK-UHFFFAOYSA-N 231.038 2.339 0 40 BEAB in-vitro CSc1nc(Cl)cc(N2C[C@H]2C)n1 4721135 YKPQZUGMTPVEJY-ZLHBUEOZSA-N 215.709 2.060 0 40 BEAB CNC(=O)c1ccc(C(=O)c2ccccc2)cc1 5174030 CRBZCLCFRJFVJO-UHFFFAOYSA-N 239.274 2.277 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC(=N)N)C2=O 5425938 JVXRHLUWSSCLBB-HLEGCSNESA-N 226.345 2.007 0 40 BEAB CCN1C(=O)S/C(=C\c2ccccn2)C1=O 6325731 YIFDBUJJXUAMNZ-CLFYSBASSA-N 234.280 2.138 0 40 BEAB CCC[C@H](C)C(=O)Nc1nnc(CC)s1 6779247 MJSJEZGTTOTMOR-ZETCQYMHSA-N 227.333 2.475 0 40 BEAB CCCOC(=O)c1cc(=O)[nH]c2ccccc12 8582698 FPPDXHVBLMXLFC-UHFFFAOYSA-N 231.251 2.095 0 40 BEAB CCCNC(=O)N[C@H]1CCc2ccccc21 12897029 YBDQHCQSUONJNH-LBPRGKRZSA-N 218.300 2.383 0 40 BEAB Cc1ccc(CC(=O)n2cccn2)cc1 13736820 MJMKIBBZZBZKHP-UHFFFAOYSA-N 200.241 2.074 0 40 BEAB N[C@H](CCCC(=O)O)c1ccc(F)cc1 20423315 GHFBIGUYMULAPA-SNVBAGLBSA-N 211.236 2.080 0 40 BEAB NC1CCN(Cc2c[nH]c3ccccc23)CC1 20533808 VKEURNDOWDDXJE-UHFFFAOYSA-N 229.327 2.091 0 40 BEAB in-vitro CCCCOC(=O)c1cc(N)c(Cl)c(N)c1 21993068 KWAHAXIGLQCVRD-UHFFFAOYSA-N 242.706 2.461 0 40 BEAB O=Cc1ccccc1-n1nnc2ccccc21 26514930 BQLYPHVMQDZBRV-UHFFFAOYSA-N 223.235 2.233 0 40 BEAB Brc1ccc(C2OCCO2)o1 35837425 KMCPUMSKEALUKQ-UHFFFAOYSA-N 219.034 2.088 0 40 BEAB O=C(CC[C@@H]1CCCNC1)Nc1ccccc1 36757291 JVVISZLPBNBADC-LBPRGKRZSA-N 232.327 2.405 0 40 BEAB COC(=O)c1ccc(NC2CCCCCC2)nn1 37404329 TXOFJFPPNCAEPT-UHFFFAOYSA-N 249.314 2.398 0 40 BEAB CC(C)(CNCc1ccn[nH]1)c1ccccc1 37934928 AMWZSDZISQPFKF-UHFFFAOYSA-N 229.327 2.477 0 40 BEAB CC1CCN(C(=O)CC[C@H]2CCCO2)CC1 40506069 KATJHCVHUSMQPX-GFCCVEGCSA-N 225.332 2.204 0 40 BEAB COc1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775195 VBSRIADXZLWBDA-SNVBAGLBSA-N 241.718 2.479 0 40 BEAB CCOC(=O)c1ncc(Cl)cc1C(C)=O 43827910 FRNOROCGPZNZEO-UHFFFAOYSA-N 227.647 2.114 0 40 BEAB Fc1ccnc2[nH]cc(Br)c12 44700042 QOJJJMJHXJYYRV-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB in-vitro C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)C)o1 53366163 FVJKGWIZPAXWOU-GXSJLCMTSA-N 221.300 2.424 0 40 BEAB O=S(=O)(c1cc(F)ccc1F)C(F)(F)F 57217626 TZGUTGNHMZPRDW-UHFFFAOYSA-N 246.156 2.258 0 40 BEAB in-vitro O=C(/C=C/c1ccccc1)NO[C@H]1CCCCO1 58330696 PIAVDHSMEFIWFS-HBWSCVEGSA-N 247.294 2.274 0 40 BEAB CCO[C@H](CNC)c1cc(OC)ccc1OC 62711545 MQULZARVIPALLP-CYBMUJFWSA-N 239.315 2.001 0 40 BEAB Cc1ccc(/C=C/C(O)=C/C2=NCCN2)cc1 62716122 WNMHAVJPDNUEFU-OZGSBZGKSA-N 228.295 2.452 0 40 BEAB FC(F)(F)C1(C(F)(F)F)CCNC1 68575126 PCGOJRWTDVMESO-UHFFFAOYSA-N 207.117 2.091 0 40 BEAB in-vitro Cc1ccc(N(CC(N)=O)Cc2ccco2)cc1 70945733 DTIVBEIWRSWNCM-UHFFFAOYSA-N 244.294 2.080 0 40 BEAB C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)OCO2 71856465 GGRWGASDGBEPAU-MWLCHTKSSA-N 247.294 2.334 0 40 BEAB CC(C)[C@](C)(O)CNc1cnc2ccccc2n1 71902767 IRNTVBXWSFQION-CQSZACIVSA-N 245.326 2.449 0 40 BEAB N[C@H](C(=O)O)c1ccc2c(c1)Cc1ccccc1-2 72196548 PUJYGBFOCULTQO-AWEZNQCLSA-N 239.274 2.342 0 40 BEAB CC(C)[C@H](C)Oc1ccccc1[C@H](O)CN 72220129 ITGCVAJWXCSFHD-CMPLNLGQSA-N 223.316 2.102 0 40 BEAB CCC[C@H]1CN2Cc3ccccc3C[C@@H]2CN1 72233390 AGEZHCYRAHAXFV-LSDHHAIUSA-N 230.355 2.185 0 40 BEAB CC(C)N1CC(c2cc3cccnc3[nH]2)C1 72381399 ZCMPBCROBABUNZ-UHFFFAOYSA-N 215.300 2.371 0 40 BEAB Cc1cc(C(=O)C(F)(F)F)c(C)n1C 82593271 ZTYYXPJNWFBUEC-UHFFFAOYSA-N 205.179 2.387 0 40 BEAB Cc1nc(CNC(=O)N[C@H]2C=CCCC2)oc1C 89558484 YFKZZZISQOXECU-NSHDSACASA-N 249.314 2.199 0 40 BEAB O=C(c1ccco1)N1C[C@H]2CC=CC[C@@H]2C1 89794338 WUAIMILCHGLLGK-GHMZBOCLSA-N 217.268 2.318 0 40 BEAB Nc1sc2c(c1C(=O)c1ccncc1)CCC2 95882077 UFWQOIUSHXQVKK-UHFFFAOYSA-N 244.319 2.445 0 40 BEAB COc1c(C)cc(C(N)=O)cc1C(F)(F)F 96029411 XXEJFZMPVFRXHR-UHFFFAOYSA-N 233.189 2.121 0 40 BEAB C[C@H]1C[C@H]1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 107518276 UAAQTDBOUWOZSO-UNJBNNCHSA-N 247.338 2.271 0 40 BEAB CCn1nc2cccc(Br)c2n1 216589708 RXCGTBSCQSDRJS-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB CCCO[C@H](Cc1cccc(C)c1)C(=O)O 225019178 LCFRTCZJRODJKG-GFCCVEGCSA-N 222.284 2.417 0 40 BEAB CCn1cc(OCC[C@@H]2CCCCO2)cn1 225710803 XSASSZMVHXBUQW-NSHDSACASA-N 224.304 2.241 0 40 BEAB Cc1cc(-n2cnnc2)ccc1N1CCCC1 226276088 LNGRQLNMZWUOSI-UHFFFAOYSA-N 228.299 2.176 0 40 BEAB COC(=O)C(=O)c1cccc(C)c1Cl 260288932 WIJNZGNTYWZEAD-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB CCCCN1CCC[C@]2(CCC(=O)N2C)CC1 585100526 MGTUTLXKMSWQLP-AWEZNQCLSA-N 238.375 2.263 0 40 BEAB COc1ccc(C(=O)NCCC(C)C)cc1 362501 DUJDIWRXPJRGCD-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB COc1ccc2c(c1)C(=O)[C@@H]1CC(=O)CC[C@@H]21 1630461 FZZWEJOHMLNMPL-CMPLNLGQSA-N 230.263 2.344 0 40 BEAB Cc1ccc(CNCCCOC(C)C)o1 2598913 NGWZBMUONSHXQN-UHFFFAOYSA-N 211.305 2.493 0 40 BEAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCO1 2625194 MPAIHQCCOOPREO-VIFPVBQESA-N 248.307 2.414 0 40 BEAB Cc1oc2cc(O)ccc2c(=O)c1-c1ccon1 5955740 PQDHZNKCBRSBHH-UHFFFAOYSA-N 243.218 2.462 0 40 BEAB biogenic O=C(O)/C=C1/CCCc2ccccc2[C@@H]1O 6117212 UADPGHINQMWEAG-CHOZFAJLSA-N 218.252 2.067 0 40 BEAB in-vitro COC(=O)c1ccc(C(=S)N2CCCC2)cc1 6169688 FLALGEWNXZTLPF-UHFFFAOYSA-N 249.335 2.245 0 40 BEAB Cc1ccc(C(=O)n2ccc(C)n2)cc1 6300041 RYTYVAIYKYZFJS-UHFFFAOYSA-N 200.241 2.188 0 40 BEAB CC(C)NC(=O)c1cc2ccccc2c(=O)s1 12274422 QIFFDAFFOPQMKF-UHFFFAOYSA-N 247.319 2.400 0 40 BEAB O=C1[C@H]2CSC[C@@H]1CN(Cc1ccccc1)C2 12410333 ONSHXQWGCKFQFZ-BETUJISGSA-N 247.363 2.051 0 40 BEAB CCc1nnc(NC(=O)c2ccc(C)nc2)s1 13011455 BFUMHQQPONXIJF-UHFFFAOYSA-N 248.311 2.056 0 40 BEAB O[C@]1(c2ccc(F)cc2)CCC[C@@H]2CNC[C@@H]21 13997960 KADNKMBDWLQVRJ-SWHYSGLUSA-N 235.302 2.033 0 40 BEAB COc1ccc(C=O)cc1OC[C@@H]1CCCO1 14000206 SUFFJIJSPVWTCP-NSHDSACASA-N 236.267 2.066 0 40 BEAB CCOC(=O)c1cn(-c2ccc(C)c(C)c2)nn1 15829236 BBDRZUGSYWJCPW-UHFFFAOYSA-N 245.282 2.061 0 40 BEAB Cc1cc(O)ccc1NC(=S)NC1CC1 16970572 LPJNWHDLHKRWLI-UHFFFAOYSA-N 222.313 2.149 0 40 BEAB CSc1nnc2c(n1)[nH]c1ccccc12 18142770 CTOXAONEYODXLL-UHFFFAOYSA-N 216.269 2.228 0 40 BEAB Cc1ccc([C@@H](CN)N2CCC(C)CC2)o1 19771722 WFSUKYMRSHULEI-GFCCVEGCSA-N 222.332 2.320 0 40 BEAB CCN1CCC[C@@H]1CNCc1cccc(F)c1 19959543 GRNNKDBWUIGPAD-CQSZACIVSA-N 236.334 2.400 0 40 BEAB COc1ccc2c(CCCN)c[nH]c2c1 20269193 ZSXGEDVGARKXMZ-UHFFFAOYSA-N 204.273 2.068 0 40 BEAB Nc1onc(-c2ccccc2Cl)c1C(=O)O 20272870 YGLVAYMDAIGBKY-UHFFFAOYSA-N 238.630 2.275 0 40 BEAB CCc1nc(-c2ccc(O)c(C(N)=O)c2)cs1 30448293 CCZJRAGILKYPQL-UHFFFAOYSA-N 248.307 2.177 0 40 BEAB Cc1ccc(CN(CCN)C(C)C)cc1 32011647 GKDJTEZCXJQMRK-UHFFFAOYSA-N 206.333 2.164 0 40 BEAB Cc1ccc(NCc2nccn2C)cc1 34937774 JJVQBJAINXSVDB-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB O=c1[nH]ncc(NCC2CCCC2)c1Cl 36398248 FIMABPQJJGSVJH-UHFFFAOYSA-N 227.695 2.025 0 40 BEAB COC(=O)CCNc1cccc(Cl)c1 36671210 XPIGGVNFTOYVPC-UHFFFAOYSA-N 213.664 2.315 0 40 BEAB CCc1ccc(NCCC(=O)OC)cc1 36671231 FFYQKFUSRONJLU-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB O=C(NCCc1ccccn1)[C@@H]1CC=CCC1 40476500 IJXCDZRFZCLRKH-GFCCVEGCSA-N 230.311 2.097 0 40 BEAB CC[C@H](C)Nc1ccc(N)cc1C(=O)OC 41046109 GCQUFPPAMNRKIO-QMMMGPOBSA-N 222.288 2.266 0 40 BEAB O=C(NC1CCCCC1)c1cscn1 41499215 OVKIHOFCHGDJQM-UHFFFAOYSA-N 210.302 2.206 0 40 BEAB Cc1nnc(-c2cncc(Br)c2)o1 44672090 QOWXQGKJEUSYGT-UHFFFAOYSA-N 240.060 2.203 0 40 BEAB in-vitro CCc1ccccc1NC(=O)CN(C)C1CC1 46601806 UIVHLYDXLMNAGI-UHFFFAOYSA-N 232.327 2.282 0 40 BEAB O=C(O)c1ccc(F)cc1OC(F)F 47203370 RCPCZEHIEZGLER-UHFFFAOYSA-N 206.119 2.125 0 40 BEAB in-vitro CC(C)Oc1ccc(CC[C@H](C)NC(=N)N)cc1 58380084 FJLQIPPCNXTUMU-NSHDSACASA-N 249.358 2.278 0 40 BEAB C[C@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 59868437 LGJNBRYQEIZFMK-AAEUAGOBSA-N 249.310 2.168 0 40 BEAB CCNc1ncc(CNC2CCCCC2)cn1 62717512 XQAXCJMEUIZNIH-UHFFFAOYSA-N 234.347 2.331 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@@H](C2)C1 64034440 KJQIEALHEWUCMM-AOOOYVTPSA-N 239.315 2.223 0 40 BEAB COC(=O)c1n[nH]c2c(Cl)cccc12 69476376 FTEOJVVWCZGELM-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB NC[C@@H]1CC(c2cccc3ccccc23)=NO1 70434923 BMEJFQMDLZEKEL-NSHDSACASA-N 226.279 2.292 0 40 BEAB Cn1nccc1CC1CCN(CC2CC2)CC1 72350814 KIFWXFCMNBWFOA-UHFFFAOYSA-N 233.359 2.085 0 40 BEAB COc1cc(NCc2ncc[nH]2)ccc1F 83351061 XONVQATXLQQIPT-UHFFFAOYSA-N 221.235 2.170 0 40 BEAB CC[C@H](NC)c1cccc(OC)c1OC 84388795 QZSCKQPPFMOERW-JTQLQIEISA-N 209.289 2.374 0 40 BEAB Fc1cccc(SCCn2cncn2)c1 84843350 AEKRQJXWLHAKJQ-UHFFFAOYSA-N 223.276 2.210 0 40 BEAB COC(=O)c1ccc(-c2csc(C)n2)o1 85392465 YTTZNPQUSQXQMB-UHFFFAOYSA-N 223.253 2.498 0 40 BEAB CCOC(=O)CSC(F)(F)C(F)(F)F 95918281 KMYPMNAXDUFLHT-UHFFFAOYSA-N 238.177 2.438 0 40 BEAB COC(=O)/C=C\c1ccc(Cn2ccnc2)cc1 95936201 FTLRFDGBBQSQMJ-SREVYHEPSA-N 242.278 2.118 0 40 BEAB Cc1cc(CS[C@H]2CCO[C@@H]2C)no1 95974154 PUQZKTBAOXMEBJ-SCZZXKLOSA-N 213.302 2.394 0 40 BEAB c1ccc([C@@H]2OCC[C@@H]2NCc2cc[nH]n2)cc1 96447527 AAIIWHXSXTVDNQ-KBPBESRZSA-N 243.310 2.030 0 40 BEAB COCCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100538161 WQKHKMBKOCINKG-NQBHXWOUSA-N 211.349 2.437 0 40 BEAB CC(=O)Nc1ccc(C2(C(=O)O)CCC2)cc1 169676702 JOYOBKJTIAZHPS-UHFFFAOYSA-N 233.267 2.151 0 40 BEAB C[C@H]1CN(CC2CC2)C[C@H](C)N1CC1CC1 187115244 BAJDVGSDCCLXIX-RYUDHWBXSA-N 222.376 2.201 0 40 BEAB Cc1cccnc1C(F)(F)C(=O)OC(C)C 193823823 XKRJMDNBIBSILN-UHFFFAOYSA-N 229.226 2.433 0 40 BEAB CN(CC[C@@H]1CCCNC1)C(=O)OC(C)(C)C 199825852 ITIYZLUUEXVVJM-NSHDSACASA-N 242.363 2.243 0 40 BEAB CCOC(=O)CC/C=C\[C@H]1COC(C)(C)O1 200050766 RRSJYUBUPNAAFL-BXKUYDPTSA-N 228.288 2.037 0 40 BEAB CCc1ccc(CC)c(CNC(=O)COC)c1 223686216 NZGZQUCDBWUIKD-UHFFFAOYSA-N 235.327 2.074 0 40 BEAB CCCO[C@H](Cc1ccc(C)cc1)C(=O)O 225021591 FHNGGJVWNODYTK-GFCCVEGCSA-N 222.284 2.417 0 40 BEAB C[C@H](Oc1cccc(N)c1)C(=O)n1cccc1 225402687 GABQFSRWZLZSMZ-JTQLQIEISA-N 230.267 2.178 0 40 BEAB CCCc1nc(Cl)ccc1C(=O)N(C)OC 225734407 HQKBITLSJONLBR-UHFFFAOYSA-N 242.706 2.321 0 40 BEAB CCOC(=O)c1cc(F)cc(N)c1Cl 261128313 KRCPURLQLXCSCP-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB CN(c1cc(C(F)(F)F)ccn1)[C@@H]1CC[C@@H]1O 585298015 NTPJQBNFAUGXIT-BDAKNGLRSA-N 246.232 2.060 0 40 BEAB CCOC(=O)[C@@H](CC)C1CCC(=O)CC1 1772715170 OWBCTQKZGGTHRG-NSHDSACASA-N 212.289 2.335 0 40 BEAB Cc1nccn1-c1cc(NC2CCCC2)ncn1 1888853951 GQSYWKXPXCJQKQ-UHFFFAOYSA-N 243.314 2.325 0 40 BEAB Cc1cc2nsnc2c2nsnc12 338410 XDDZFQNDSCVUES-UHFFFAOYSA-N 208.271 2.004 0 40 BEAB CC(=O)OCC(C)(C)[C@@H](OC(C)=O)C(C)C 1641163 AVQIDJASTVSUMQ-NSHDSACASA-N 230.304 2.163 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@]1(O)C=CCCC1 1675349 IDPCFIYJYAVFFE-OCCSQVGLSA-N 232.279 2.326 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C 2782033 RQRCWQHWRXZXDQ-BXKDBHETSA-N 249.358 2.345 0 40 BEAB FC(F)(F)c1nc2ccccc2c2nncn12 3104610 NXIQNFOOOCYURL-UHFFFAOYSA-N 238.172 2.296 0 40 BEAB Cc1ccnc(SCC(=O)C(C)(C)C)n1 3225141 PHGHMYLWPZCUMY-UHFFFAOYSA-N 224.329 2.492 0 40 BEAB O=C(O)c1ccoc1COCC(F)(F)F 4727349 INCOTXAVDBZMKA-UHFFFAOYSA-N 224.134 2.057 0 40 BEAB Cc1cc(C)[n+](CCCCCCN)c(C)c1 5538106 FYAPFCWDMSRNAR-UHFFFAOYSA-N 221.368 2.418 0 40 BEAB Cc1ccccc1CNC(=O)c1ccccn1 7976853 LNCOPUSCHSJTCI-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB CCOCCCOc1ccc(C=O)cc1 8731425 AALLBNIVMUXAMN-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB C1CCc2sc([C@@H]3CCCNC3)nc2C1 11632031 YCLWGQNLLSBAOE-SECBINFHSA-N 222.357 2.489 0 40 BEAB in-vitro Cc1cccc(-c2cc(=O)[nH]c(=S)[nH]2)c1 12016180 GFHNRPUGDYIBMB-UHFFFAOYSA-N 218.281 2.408 0 40 BEAB CC(C)=CC[C@H]1C(=O)c2ccccc2[C@@H](O)[C@@H]1O 13459848 PURPSZILBYSJEM-NWANDNLSSA-N 246.306 2.250 0 40 BEAB biogenic CCC(=O)Nc1nnc(-c2ccco2)s1 17209476 UWQWGKRHGVAARC-UHFFFAOYSA-N 223.257 2.147 0 40 BEAB CC[C@H](C)N1CCN(Cc2ccco2)CC1 19842528 MXJIRBFONXTXII-LBPRGKRZSA-N 222.332 2.196 0 40 BEAB Cc1ccc(C=O)cc1I 21997289 JAKBMXYECHUYEO-UHFFFAOYSA-N 246.047 2.412 0 40 BEAB CCONC(=O)c1cc(-c2cccs2)on1 22875305 QPVFCMNVIXNTPV-UHFFFAOYSA-N 238.268 2.084 0 40 BEAB O=C(Nc1nc(C2CC2)cs1)C1CC1 25560072 JBCRRRQYKLDPFZ-UHFFFAOYSA-N 208.286 2.369 0 40 BEAB Cc1ccccc1NC(=O)Nc1ccn(C)n1 27915681 RMFSIBGOLBYZPA-UHFFFAOYSA-N 230.271 2.373 0 40 BEAB Cc1ccc([C@H](O)CCN2CCOCC2)c(C)c1 31938729 NDQUWJCLZHVHBC-OAHLLOKOSA-N 249.354 2.059 0 40 BEAB CC(=O)N(C)Cc1ccc(Br)s1 32678764 WJRQJLRTYHLKKI-UHFFFAOYSA-N 248.145 2.489 0 40 BEAB CCc1c(C(=O)N(C)C)cnn1-c1ccccc1 32779933 CYXWDIQEAAYRJT-UHFFFAOYSA-N 243.310 2.137 0 40 BEAB CC(C)[C@@H](/C=C/C(=O)O)NC(=O)OC(C)(C)C 33841120 BVQSSXQBPIIKLG-XCODYQFDSA-N 243.303 2.177 0 40 BEAB CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(F)cc1 34959734 VLUZNVMKIYJNRF-NSHDSACASA-N 239.290 2.037 0 40 BEAB COc1cc(C(=O)N2CCCC2)ccc1C 36393473 YUNOELNNMPJDDZ-UHFFFAOYSA-N 219.284 2.240 0 40 BEAB COCCCNC(=O)N[C@H](C)c1ccccc1 40477784 HEBFVIVZPRFRAE-LLVKDONJSA-N 236.315 2.083 0 40 BEAB OC[C@@H](c1ccccc1Cl)N1CCCC1 41246393 GVSPIIQXKGZSAX-LBPRGKRZSA-N 225.719 2.469 0 40 BEAB COc1ccc(/C=C(\C)C(=O)O)cc1F 44220500 QBUJMDMWUVYMCY-FNORWQNLSA-N 210.204 2.322 0 40 BEAB in-vitro COC[C@H](C)NC(=O)c1cc2ccccc2o1 45819692 FQQHGULBBBIYHZ-VIFPVBQESA-N 233.267 2.198 0 40 BEAB Cc1ccc2nnc(C(=O)N3CCCC3)cc2c1 46087730 UTOFBKABVCILCX-UHFFFAOYSA-N 241.294 2.174 0 40 BEAB O=C(Nc1ccc(F)c(F)c1)c1cnsn1 47410381 SSOKNTVPDMVLHN-UHFFFAOYSA-N 241.222 2.069 0 40 BEAB O=CNc1ccc(C(=O)Oc2ccccc2)cc1 57211597 GCUBEOWELFYUNM-UHFFFAOYSA-N 241.246 2.474 0 40 BEAB CCn1cc(NC(=O)c2ccc(Cl)o2)cn1 58380718 LSYYITJPKNVDMP-UHFFFAOYSA-N 239.662 2.402 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@H]2[C@@H](C)O)c1 62713852 ZEKOAWYKSMNJMM-MIMYLULJSA-N 222.284 2.188 0 40 BEAB O=C(Nc1cc(-c2ccccn2)no1)C1CC1 65152753 AWGZLHBYHXPCOT-UHFFFAOYSA-N 229.239 2.085 0 40 BEAB COc1ccc([C@H](N)c2ccccc2)cn1 72225052 YIABPMUKUGXYDM-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB COCCNCc1ccccc1C(F)(F)F 85891721 YBMNLIDTONCKKA-UHFFFAOYSA-N 233.233 2.441 0 40 BEAB CCc1[nH]nc(NC(=O)c2oc(C)nc2C)c1C 89280061 MWBGJSNPSIPJHP-UHFFFAOYSA-N 248.286 2.138 0 40 BEAB CCc1nsc(N2C[C@H]3[C@@H](C2)C3(C)C)n1 89295485 DUFRWLZIHVFZCS-OCAPTIKFSA-N 223.345 2.193 0 40 BEAB Cc1nscc1C(=O)O[C@H](C)C1CC1 95469306 FEYWLNNGIJMJQP-SSDOTTSWSA-N 211.286 2.407 0 40 BEAB N[C@H]1CCCC[C@H]1NCc1ccccc1 95775687 LATNVBUKYCPGPI-QWHCGFSZSA-N 204.317 2.046 0 40 BEAB CCOCCN(C)Cc1cc(C)oc1C 95999374 WUVJCURASQLOPZ-UHFFFAOYSA-N 211.305 2.365 0 40 BEAB CC(C)[C@@H]1CO[C@]2(CCN(Cc3c[nH]cn3)C2)C1 96072031 RVPDKXPIDLLUSJ-GXTWGEPZSA-N 249.358 2.047 0 40 BEAB CC[C@@H](CC(=O)NCCC(=O)O)c1ccccc1 97017582 ADROPJHACIRZQL-NSHDSACASA-N 249.310 2.161 0 40 BEAB CNC(=O)CSCC1CCCCCC1 97115487 FRELLFNOEHGMQY-UHFFFAOYSA-N 215.362 2.436 0 40 BEAB CC[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100001598 CVZCIFAVWVMZIQ-JGGZEWDASA-N 209.333 2.055 0 40 BEAB CC(C)CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100339544 JGQDLHJNVVLPJJ-GMTAPVOTSA-N 226.389 2.295 0 40 BEAB CSC1(C(=O)O)[C@H]2CC[C@H]3[C@@H]2CC[C@H]31 102958254 LUUFFDIGOVAXOK-RFFZZTLGSA-N 212.314 2.239 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1F 218688798 SLQSPHHAZOAQAM-PHDIDXHHSA-N 216.158 2.292 0 40 BEAB COC(=O)c1ccc(C)c(Cl)c1OC 260589950 VUPSQNDSRGFWKK-UHFFFAOYSA-N 214.648 2.444 0 40 BEAB CC(C)CCO[C@@H]1CCN(c2cnccn2)C1 267621378 IBYRTCIPUOHPAA-GFCCVEGCSA-N 235.331 2.118 0 40 BEAB Fc1cccc(-n2cnc(Br)n2)c1 1083804987 MUQYHIIRUNBOKT-UHFFFAOYSA-N 242.051 2.169 0 40 BEAB CC(C)(C)[C@H]1COC(c2ccc(F)cn2)=N1 1988188151 YVULGYITAFNKKF-SNVBAGLBSA-N 222.263 2.412 0 40 BEAB CC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 478683 TUZSOGIKSSQALH-BREXMAIKSA-N 247.294 2.343 0 40 BEAB CC(C)COP(=O)(CO)OCC(C)C 1678070 XPRBYYPEKCAWJL-UHFFFAOYSA-N 224.237 2.475 0 40 BEAB CCc1nnc2n1N=C(c1ccccc1)CS2 502388 WGAJUFGAPQKOIY-UHFFFAOYSA-N 244.323 2.199 0 40 BEAB c1ccc(CCCNCCn2cccn2)cc1 42351673 LHGNHUDENXETQE-UHFFFAOYSA-N 229.327 2.106 0 40 BEAB CCCCc1ccc(NC(=S)NN)cc1 3269711 LSTINUWHSDZHIK-UHFFFAOYSA-N 223.345 2.189 0 40 BEAB in-vitro COC[C@H](C)NC(=O)Nc1ccc2c(c1)CCC2 58278059 JQSSMOCERDXRHM-JTQLQIEISA-N 248.326 2.332 0 40 BEAB C=CC(=O)N(C)Cc1cccc(Cl)c1 36334436 IQRODOYFSNEVDD-UHFFFAOYSA-N 209.676 2.484 0 40 BEAB COCc1cccc(C(=O)N2CCCC2)c1 12978541 NRLQPCCZHFJTAX-UHFFFAOYSA-N 219.284 2.069 0 40 BEAB Cc1ccccc1Nc1cc(=O)[nH]c(=S)[nH]1 72226403 IDVPJNCZKQZZMS-UHFFFAOYSA-N 233.296 2.485 0 40 BEAB Cc1cc(N)ccc1OCCN1CCCCC1 14630481 WRUXKZRCDWXVOG-UHFFFAOYSA-N 234.343 2.442 0 40 BEAB FC(F)=C(F)CCSc1ncn[nH]1 5771591 HZBHPWHOQYUZHK-UHFFFAOYSA-N 209.196 2.365 0 40 BEAB CCc1noc(-c2ccc(N)c(C)c2)n1 21008713 YGPNOTJFLURONK-UHFFFAOYSA-N 203.245 2.190 0 40 BEAB O=c1c2[nH]c3ccccc3c2cc2n1CCC2 26897374 RPDCOKYGNQFTQU-UHFFFAOYSA-N 224.263 2.429 0 40 BEAB FC(F)Oc1cncc(Br)c1 70043562 PGQKUYBGLPHSLA-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB in-vitro NCC1(c2cccc(C(F)(F)F)n2)CCC1 82347880 LSUGPHMYQIXHIR-UHFFFAOYSA-N 230.233 2.481 0 40 BEAB c1cnc(N2CC[C@@H]3CCCC[C@@H]32)cn1 96458966 NTCJMHYDLMQTOG-QWRGUYRKSA-N 203.289 2.246 0 40 BEAB O=C1CCC[C@@]2(c3ccccc3)NCCCCN12 35572427 OWXBAYLITTYOKA-OAHLLOKOSA-N 244.338 2.235 0 40 BEAB CCOc1ccc(-c2cc(CCN)no2)cc1 72220697 BDANDMXYEBMYJR-UHFFFAOYSA-N 232.283 2.242 0 40 BEAB O=C(O)c1onc2cc(Br)ccc12 38478330 OVTUMTXURUVLTH-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB O=C(Nc1cccnc1)c1ccc2c(c1)CCO2 32796261 NQOZHIMNQXUCGX-UHFFFAOYSA-N 240.262 2.269 0 40 BEAB NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 44258436 YYNVKCRAEUWJJY-RQOWECAXSA-N 216.067 2.492 0 40 BEAB Cc1cnc(NC(=O)C2CC(F)(F)C2)s1 336314167 LJIGFGIHEJQVNK-UHFFFAOYSA-N 232.255 2.435 0 40 BEAB O=C(O)c1nnc(-c2ccc(F)cc2)s1 83321633 REUPNRSSQGDMSI-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89873180 ZPEWUQAIHOXBNF-CHWSQXEVSA-N 211.264 2.429 0 40 BEAB O=C(Cc1ccccc1Cl)[C@@H]1CCOC1 48627335 WKELVGDAWDAQFI-SNVBAGLBSA-N 224.687 2.488 0 40 BEAB C[C@H]1CCC(=O)[C@H](C(=O)c2ccco2)C1 43651455 ANGMEORCXOCVFA-DTWKUNHWSA-N 206.241 2.468 0 40 BEAB C[C@@H]1CCn2c(nc3cc(C(=O)O)ccc32)C1 49455166 LOJUHWIQLCZRJD-MRVPVSSYSA-N 230.267 2.317 0 40 BEAB O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc[nH]n1 98013212 BPKXLFHVBLQOGN-PWSUYJOCSA-N 233.315 2.108 0 40 BEAB CC(=O)NC(C)(C)c1noc(C2=CCCC2)n1 96471699 NOJZJNWQDUQRRD-UHFFFAOYSA-N 235.287 2.008 0 40 BEAB Cc1cc(NCc2cn(C(C)C)nc2C)n(C)n1 256054399 WCNPCUMZGDGDMV-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CCC(C)(C)NC(=O)c1scnc1C 46753365 MOCGCIZQGHIFKD-UHFFFAOYSA-N 212.318 2.370 0 40 BEAB COCCNC(=O)c1sccc1C(C)C 52916735 LYVFYNRFNLTFSN-UHFFFAOYSA-N 227.329 2.248 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2N)C1 82327523 GQBQSJMZBRDDAB-GXFFZTMASA-N 240.347 2.125 0 40 BEAB Cc1ccc(CNC[C@H]2CCCn3ccnc32)o1 84195444 FAAKHENOYJIOSX-GFCCVEGCSA-N 245.326 2.452 0 40 BEAB C1=CCN(c2cnc3ccccc3n2)CC1 679279980 NZDHKXGIHLGIAM-UHFFFAOYSA-N 211.268 2.396 0 40 BEAB Cc1noc(C)c1C(=O)N1[C@H]2C=CC[C@H]1CC2 208022990 JGUCPCGASYMIFB-QWRGUYRKSA-N 232.283 2.225 0 40 BEAB CCCc1cc(COCCCC(=O)O)on1 12398808 PPJGXEXILHTFLE-UHFFFAOYSA-N 227.260 2.009 0 40 BEAB CCCSc1nc2[nH]c(=O)cc(O)c2s1 19624423 GSZWHYBZFRDFPW-UHFFFAOYSA-N 242.325 2.192 0 40 BEAB CC(C)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 7212320 YRTOXVBEBJUSRC-SECBINFHSA-N 245.319 2.149 0 40 BEAB N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 20285976 IFQRFSKEHYUZAT-RRFJBIMHSA-N 230.355 2.246 0 40 BEAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(N)=O 27989627 LGLPSKCJXYYLMZ-NJGYIYPDSA-N 208.088 2.063 0 40 BEAB CCOc1ccc(N)cc1C(=O)OC(C)C 20155744 JAROFJWWEAEMEZ-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB COC(=O)c1ccccc1Cn1cccc1C=O 20447583 NJUCYDXYMOGIPI-UHFFFAOYSA-N 243.262 2.136 0 40 BEAB Cn1cc(C(=O)Nc2ccccc2Cl)cn1 20886393 BPFVIXVSCNYTCW-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB Cc1cccc(C)c1Nc1nnns1 515495 BDSULTHUPKQBMV-UHFFFAOYSA-N 206.274 2.294 0 40 BEAB Cc1cc(Nc2cccc(F)c2)n2ncnc2n1 804520 GTSBAPJTXCZABL-UHFFFAOYSA-N 243.245 2.315 0 40 BEAB O[C@H](C[C@@H]1CCCCN1)c1ccccc1 1567968 OPZVPQVONVBYTF-QWHCGFSZSA-N 205.301 2.252 0 40 BEAB biogenic Oc1ccc(NC2=NCCCS2)cc1 4619754 XUSMEDXRDDDMJP-UHFFFAOYSA-N 208.286 2.297 0 40 BEAB Cn1ccnc1SC[C@H](O)c1ccccc1 6746114 ZFWNNCVHBLUPJL-NSHDSACASA-N 234.324 2.246 0 40 BEAB O[C@]12CCCC[C@@H]1CN(Cc1ccccn1)CC2 19401589 RPRHYUWMVLXVKX-HIFRSBDPSA-N 246.354 2.209 0 40 BEAB CC(C)(C)c1nc(C(=O)O)c2ccccn12 20222660 KOZNQGRKKLAYOE-UHFFFAOYSA-N 218.256 2.330 0 40 BEAB CC(=O)Oc1cccc2ccc(C)nc12 20230792 VQCJXKWHGFRKPY-UHFFFAOYSA-N 201.225 2.469 0 40 BEAB COc1ccccc1CNC(=O)c1cncs1 22073192 NWCALZZORKHTJB-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB Cc1cccc(CN2[C@@H](C)CNC[C@H]2C)c1 22911002 MXPFEIDQBKAPAW-BETUJISGSA-N 218.344 2.177 0 40 BEAB O=C(C[C@H](O)C(F)(F)F)c1ccccc1 26842646 LGRAOIBBJUNFDG-VIFPVBQESA-N 218.174 2.183 0 40 BEAB in-vitro C[C@@H]1C[C@H]1C(=O)Nc1cccc2cn[nH]c12 26870913 SBJOFOGALWNRTD-VXNVDRBHSA-N 215.256 2.157 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccccc1C(=O)NC 27398933 OPTWMCADPOPWOQ-COBAKMAKSA-N 244.294 2.117 0 40 BEAB Cc1ccc(C[C@H](O)CN2CCCCC2)cc1 27987704 DNBQFAYIPBXCQX-HNNXBMFYSA-N 233.355 2.384 0 40 BEAB Cc1occc1C(=O)N(C)[C@H](C)C1CC1 32907070 SCAGVBLZXXBJOT-MRVPVSSYSA-N 207.273 2.459 0 40 BEAB Cc1n[nH]cc1CNCCc1ccc(F)cc1 36901431 XDLQTWJUYKOOOO-UHFFFAOYSA-N 233.290 2.190 0 40 BEAB CC[C@@H](C)CN[C@@H](C)c1nnc2ccccn12 36968852 PJJNLTPHDNPZOP-MNOVXSKESA-N 232.331 2.426 0 40 BEAB CC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)s1 37020918 RSAGOSYIIJQOST-RNFRBKRXSA-N 246.763 2.316 0 40 BEAB Cc1[nH]c2c(F)ccc(F)c2c(=O)c1C 37947575 YWABXIOQUMMYFY-UHFFFAOYSA-N 209.195 2.423 0 40 BEAB in-vitro CCOC(=O)[C@H]1Cn2c(cc3ccccc32)C1=O 39249901 NPJLELHWBJVTMQ-JTQLQIEISA-N 243.262 2.017 0 40 BEAB c1ccc2oc(NCCn3cccn3)nc2c1 42351553 UGJCKQFSAIXTKX-UHFFFAOYSA-N 228.255 2.136 0 40 BEAB CC[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219033 LPQFBRZVCFPQSV-UWVGGRQHSA-N 215.337 2.352 0 40 BEAB Cc1csc(NC(=O)CC[C@H]2CCCO2)n1 48264859 WUCGNZZHWHPCEM-SECBINFHSA-N 240.328 2.349 0 40 BEAB Clc1nccc(NCc2cccnc2)n1 51849425 KKUYUQNOFDIDRI-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB Clc1ccc(OCC2CCNCC2)nc1 51869849 KKYPJULWOVHENQ-UHFFFAOYSA-N 226.707 2.113 0 40 BEAB CCCNc1nnc(SCC)s1 57863049 PJHHVMAQUDMNID-UHFFFAOYSA-N 203.336 2.472 0 40 BEAB Cc1cc(C)c2c(c1)S[C@@H](C(=O)O)C2 62712025 AHSMOSGRCCUVBA-SNVBAGLBSA-N 208.282 2.405 0 40 BEAB COc1cc(C)c(C2=NCCCC2)cn1 72218027 XHJAGAUSXYFBBO-UHFFFAOYSA-N 204.273 2.372 0 40 BEAB COc1c(C)cc(-c2noc([C@@H](C)N)n2)cc1C 75808090 LZCLXNKVBKGWFB-SECBINFHSA-N 247.298 2.382 0 40 BEAB Cc1n[nH]cc1Nc1c(F)c(F)nc(F)c1F 80918224 JIKOWCINERYVEN-UHFFFAOYSA-N 246.167 2.413 0 40 BEAB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)O 83325786 BBUHYYKEHFISLK-YVMONPNESA-N 239.177 2.280 0 40 BEAB C[C@@H](O)CNCc1cccc(OC(F)(F)F)c1 83380050 RDEKBXIJXBUZKT-MRVPVSSYSA-N 249.232 2.056 0 40 BEAB CCOc1ccc(C(C)=O)cc1C(=O)OC 85397442 LZBJJCPKZLIKDB-UHFFFAOYSA-N 222.240 2.075 0 40 BEAB O=C(c1cccnc1)N1CCC[C@@H]2CCC[C@@H]21 89793927 PEYXARVGHKTKPT-AAEUAGOBSA-N 230.311 2.486 0 40 BEAB NNCc1ccccc1OCc1ccccc1 90613335 GTLHKMXPRZADLC-UHFFFAOYSA-N 228.295 2.229 0 40 BEAB CCOC(=O)[C@@H]1C[C@@H](C(F)(F)F)CCC1=O 96509636 WUFBIEFFUPMRDQ-NKWVEPMBSA-N 238.205 2.097 0 40 BEAB COc1ccc([C@]2(O)CCC[C@](C)(O)C2)cc1 96509980 SOFKAVUNAOIBFY-KBPBESRZSA-N 236.311 2.208 0 40 BEAB C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCOC1 98012599 MKOCFTQHXXTDQT-YPMHNXCESA-N 245.322 2.391 0 40 BEAB COc1cccc([C@H]2CCCC[C@@H]2NN)c1 199539007 OPIJBJZARGJXGX-OLZOCXBDSA-N 220.316 2.185 0 40 BEAB CCOc1ccc(Cl)cc1NC(N)=O 216877606 CTSJVOXAHMPUQN-UHFFFAOYSA-N 214.652 2.229 0 40 BEAB CC(C)CC1(CC(C)C)NC(=S)N(C)N1 225349834 AAVRDVIZBCXSJB-UHFFFAOYSA-N 229.393 2.099 0 40 BEAB FCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 225467128 KXOLULNBAYGQGR-QWHCGFSZSA-N 245.338 2.006 0 40 BEAB Cc1[nH]c(=O)c(Br)c2c1CCCC2 225739114 ZTAQYVSXAXZJEU-UHFFFAOYSA-N 242.116 2.325 0 40 BEAB COc1ccc(C2(CO)CC2)cc1Cl 257852105 SFVWUUPIOVWFCV-UHFFFAOYSA-N 212.676 2.373 0 40 BEAB c1cc2c(cc1[C@H]1CCNCCS1)OCO2 618254160 KXKOJZBNHTUXRD-GFCCVEGCSA-N 237.324 2.183 0 40 BEAB NC[C](CCO)c1ccc(Cl)c(Cl)c1 1560407519 KFHAYORFCQWRMS-UHFFFAOYSA-N 233.118 2.257 0 40 BEAB CCOC(=O)c1nc(Cc2ccccc2)c(C)[nH]1 1857793327 SHCSPOSJJBYTRM-UHFFFAOYSA-N 244.294 2.486 0 40 BEAB CCOc1cccc2cc(C(C)=O)c(=O)oc12 180525 ZICQMZDINLBQMB-UHFFFAOYSA-N 232.235 2.394 0 40 BEAB biogenic Cc1cc(NCc2ccccc2)n2ncnc2n1 182733 IGKUHHQUTNBCCC-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB Cn1nccc1C(=O)c1ccc(Cl)cc1 236693 WOZWSRNIBXHSCB-UHFFFAOYSA-N 220.659 2.305 0 40 BEAB Cc1nnc(NC(=O)Cc2cccs2)s1 380468 DHOSDVZDSQSRMS-UHFFFAOYSA-N 239.325 2.089 0 40 BEAB CCC(=O)O[C@@H]1CCC[C@@H](OC(=O)CC)C1 1687914 GKFARIMGPCTUAY-NXEZZACHSA-N 228.288 2.204 0 40 BEAB CCN(CC)CCOC(=O)c1ccccc1F 1823537 JJCVKUHZKXSGKP-UHFFFAOYSA-N 239.290 2.324 0 40 BEAB C/C=C\C(=O)N1C(=O)OC[C@H]1c1ccccc1 8665840 DCVIMWRFFDRWJM-ZYVOWACSSA-N 231.251 2.283 0 40 BEAB CCC[C@H](Oc1ccc(F)cc1)C(=O)O 8730632 TYCQOSQFVMDUNT-JTQLQIEISA-N 212.220 2.458 0 40 BEAB Nc1ccc2c(c1)oc(=O)n2Cc1ccccc1 11632555 RVSUQOYXAQTQNX-UHFFFAOYSA-N 240.262 2.225 0 40 BEAB COC(=O)c1c(Cl)c(C)nc2onc(C)c12 12397221 QLDJJMDUWIDIMN-UHFFFAOYSA-N 240.646 2.280 0 40 BEAB Cc1ccc(NC(=O)Cn2cccn2)cc1Cl 13012058 SAOJNESUJSOAHZ-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB CCn1nc(C(=O)NCc2ccccc2)cc1C 13703747 MQBAGUJFNFHKCE-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cn1 16230377 RDWZVHFFXXDROT-PWSUYJOCSA-N 248.326 2.399 0 40 BEAB CC[C@H](C(=O)N1CCC(N)CC1)c1ccccc1 19402572 BIJWTMSEBYWEAD-AWEZNQCLSA-N 246.354 2.130 0 40 BEAB in-vitro Cc1cnn(-c2ccc(N)cc2Cl)c1 20351935 NOWBGUTVTCBHMT-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB Cn1cc(NCc2cc(F)ccc2F)cn1 20354239 BMLYIANOBUSENY-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB Cn1ccc(NC(=O)CCC2CCCC2)n1 22614137 MANBENCIBFJZSA-UHFFFAOYSA-N 221.304 2.329 0 40 BEAB NC(=O)c1cc2cc(Br)ccc2[nH]1 22864071 LSVXIUWPEUBKBM-UHFFFAOYSA-N 239.072 2.029 0 40 BEAB C[C@@H]1c2cccn2CCN1C(=O)c1cccnc1 29378867 QSSJCDRAAUZVDD-LLVKDONJSA-N 241.294 2.100 0 40 BEAB COC(=O)c1sccc1NC(=O)[C@H]1C[C@@H]1C 35163688 WNUUPAXJWOBHKE-BQBZGAKWSA-N 239.296 2.129 0 40 BEAB CC[C@@H](CO)Nc1ccc(Br)cn1 35606446 FCWKXTMGIGNUTC-QMMMGPOBSA-N 245.120 2.027 0 40 BEAB CCOCCNCc1ccc(C)cc1C 36228571 MSPZFOKZEUNBNV-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB Clc1ccc2nnc(C3CCCC3)n2n1 36903740 XWTSXPYGTBZXFK-UHFFFAOYSA-N 222.679 2.435 0 40 BEAB CC(C)(C)NC[C@@H](O)c1ccc(F)cc1F 37882931 HWKDKMWNIGHDAE-LLVKDONJSA-N 229.270 2.386 0 40 BEAB COc1cc(CN)cc(C(F)(F)F)c1 38529813 WNCDSBLUNYDXQO-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB O=C(c1ccncc1)N(Cc1ccco1)C1CC1 40497008 PKVTYXDELRKVNN-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB CCN(C[C@@H]1CCNC1)C1CCCCC1 42783428 CFXPAJNJKWJZCR-GFCCVEGCSA-N 210.365 2.251 0 40 BEAB C[C@H](N)[C@@H](OC1CCOCC1)c1ccccc1 42904330 HIUSWVFHVDKMEN-SMDDNHRTSA-N 235.327 2.271 0 40 BEAB in-vitro CN(CCCCCCN)CCc1ccncc1 48260170 CONCMWRFOIENHW-UHFFFAOYSA-N 235.375 2.075 0 40 BEAB CC(=O)c1cc(-c2ccccc2)n(C)n1 57490703 UCOFCSJZKKBAQG-UHFFFAOYSA-N 200.241 2.290 0 40 BEAB in-vitro CC(C)CCNC(=O)[C@H]1Cc2ccccc2O1 57568159 PIOWEZVTJPIFNW-CYBMUJFWSA-N 233.311 2.152 0 40 BEAB O=[N+]([O-])c1ccc(/C=N/N2CCCCC2)o1 57600426 YMRJIFXSPBPQJB-DHZHZOJOSA-N 223.232 2.008 0 40 BEAB Cc1n[nH]c(C(=O)O)c1Cc1ccccc1 72220398 OLLJPUPZOBWCGA-UHFFFAOYSA-N 216.240 2.007 0 40 BEAB Cc1ccc(CCC(=O)NCC(C)(C)O)c(C)c1 75235996 LXSJSFYSGKCFDP-UHFFFAOYSA-N 249.354 2.123 0 40 BEAB Cc1[nH]nc2c1NC1(CCC(C)(C)CC1)NC2=O 76018025 SDOUGYCOZOYGQA-UHFFFAOYSA-N 248.330 2.170 0 40 BEAB COc1ccsc1C(=O)OC1CCC1 79170581 SEYNNVDGBAKHPW-UHFFFAOYSA-N 212.270 2.466 0 40 BEAB O=C(O)[C@H]1CCC[C@H]1NC1CCCCC1 83988117 DCLIKAUTNCNGEL-WDEREUQCSA-N 211.305 2.162 0 40 BEAB O=C(N[C@H]1CCC[C@@H](C2CC2)C1)C1CC1 95401258 LYASYPJZWXINTL-NEPJUHHUSA-N 207.317 2.481 0 40 BEAB O=C(O)[C@H]1CCC[C@@H](OC(F)(F)F)C1 96395132 WUWTUKRPGKAVNA-NTSWFWBYSA-N 212.167 2.166 0 40 BEAB CN(CCC1CCOCC1)[C@@H]1CCCC[C@@H]1O 96485281 OJOYQPFWTQYPDQ-KGLIPLIRSA-N 241.375 2.038 0 40 BEAB Cc1nnc([C@H](C)N(C)CCc2ccncc2)o1 97051169 CPOQCINVXIYTJH-JTQLQIEISA-N 246.314 2.009 0 40 BEAB CC(C)/C=C1\N[C@@H](c2ccccc2)OC1=O 100083206 GFCWYYFWAQGXPR-NXIHDVOMSA-N 217.268 2.372 0 40 BEAB CNc1ncc(Br)cc1F 117936493 RAZNIBDCLUGEQZ-UHFFFAOYSA-N 205.030 2.025 0 40 BEAB CC[C@H]1N[C@H]1CCOCc1ccccc1 169804294 XYJHFZOMTQYRAI-OLZOCXBDSA-N 205.301 2.344 0 40 BEAB C[C@H](NCCC(C)(C)C)[C@@H](C)N1CCOCC1 187879894 GUVFXDHNVQQVDS-QWHCGFSZSA-N 242.407 2.121 0 40 BEAB CC(C)(C)OC(=O)Cc1ccnc2[nH]ccc12 205307266 AKTPHYLBTBRIIR-UHFFFAOYSA-N 232.283 2.447 0 40 BEAB CNC(=S)Nc1ccc2sncc2c1 225171160 ZUTUAGDMVQZGJC-UHFFFAOYSA-N 223.326 2.213 0 40 BEAB CCOC(=O)C(=O)c1cccc(F)c1Cl 258322653 CFDJTSPNKOANMN-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB CC(C)Cn1ccc(COCC(F)F)n1 408715275 AKVUZBAWSBXWSC-UHFFFAOYSA-N 218.247 2.321 0 40 BEAB CC(C)CCN1NC2(CCCCC2)NC1=S 1242488 UORKGFMFMPCDOC-UHFFFAOYSA-N 241.404 2.388 0 40 BEAB CCc1cccc(NC(=O)[C@@H]2CCCO2)c1 1471475 XCJUUIZTYSHMKB-LBPRGKRZSA-N 219.284 2.367 0 40 BEAB CC(=O)[C@](C)(CCN(C)C)c1ccccc1 1593231 MSAVGSNUZXCEJN-AWEZNQCLSA-N 219.328 2.485 0 40 BEAB CCn1ccc(CNCc2cccc(OC)c2)n1 2536100 NFWMALUDBKUSKF-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB C[C@H](OCc1ccccc1)C(=O)N1CCCC1 2576817 TVZLBOSPKGJOTA-LBPRGKRZSA-N 233.311 2.214 0 40 BEAB COC(=O)C[C@@H]1C[C@@H](C)[C@@H](OC(C)=O)C1(C)C 4974246 IPUCQFXOIXVTGS-UBHAPETDSA-N 242.315 2.163 0 40 BEAB CC(C)c1cccc2cc(CO)c(=O)[nH]c12 11727929 PSDOHNPBQCSNCK-UHFFFAOYSA-N 217.268 2.144 0 40 BEAB CN1c2ccccc2C(=O)NC12CCSCC2 12538007 BPYMLUVAMOHOGD-UHFFFAOYSA-N 248.351 2.090 0 40 BEAB CN(Cc1ccccc1)C1C[C@@H]2CC[C@H](C1)N2 14629111 DRPLGRDEZSJOCK-YIONKMFJSA-N 230.355 2.401 0 40 BEAB in-vitro Cc1ccc(NC(=O)C2CCNCC2)c(C)c1 19410439 MLWSUWWSVIEIQJ-UHFFFAOYSA-N 232.327 2.242 0 40 BEAB CCCN(C[C@H](C)O)C(=O)c1ccc(C)cc1 19691528 WNUARLCIWPPCQT-LBPRGKRZSA-N 235.327 2.228 0 40 BEAB CC1(C)C[C@@H](NCc2cccnc2)CCO1 19701930 FZXRWWCKNPASAJ-LBPRGKRZSA-N 220.316 2.129 0 40 BEAB biogenic CC(C)[C@H](NCc1ccc(F)cc1)C(=O)O 19787749 RFVLQWXZKUADGB-NSHDSACASA-N 225.263 2.025 0 40 BEAB CC1CCN(C[C@@H](N)c2ccccc2)CC1 19821174 VOGOMHDDDFSBNE-CQSZACIVSA-N 218.344 2.418 0 40 BEAB CCOc1ccccc1-c1nnc(NC(C)=O)o1 19927210 CTGJLVQJSKHSRR-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB O=C(NC[C@H]1CCN(c2ccccc2)C1)C1CC1 27846386 SDJMVFYCEAMEBU-GFCCVEGCSA-N 244.338 2.039 0 40 BEAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)C 30872593 ANZITFBUGWRYBN-NSHDSACASA-N 225.263 2.071 0 40 BEAB NC[C@@H](O)c1ccc(Oc2ccccc2)cc1 32015749 UADSXSNKALEKAM-CQSZACIVSA-N 229.279 2.471 0 40 BEAB in-vitro O=C(COC(F)(F)F)c1ccccc1 34144346 UIQNFNIICOIPOM-UHFFFAOYSA-N 204.147 2.406 0 40 BEAB O=Cc1cccc2c1OC(F)(F)C(F)(F)O2 34289391 VENUCPDYGRACGX-UHFFFAOYSA-N 236.120 2.456 0 40 BEAB C=CC(=O)N[C@H](C)Cc1c(F)cccc1F 37790111 ZLCKYHNLGMTHPK-MRVPVSSYSA-N 225.238 2.198 0 40 BEAB Cc1cccc(Nc2cc(N)nc(C)n2)c1 39109479 RDNJROPYFRYCNZ-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB CC[C@@H](C)CN[C@H](CC(C)C)C(=O)O 43432833 SMPOLFVHBCTPIZ-NXEZZACHSA-N 201.310 2.121 0 40 BEAB c1cnc(SCC[C@H]2CCCCN2)nc1 43499516 YZOMIMDAAKNANM-SNVBAGLBSA-N 223.345 2.101 0 40 BEAB CC(C)N(CCO)Cc1ccccc1F 49801966 DGHSBLOJBPHHLJ-UHFFFAOYSA-N 211.280 2.028 0 40 BEAB Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 54187174 DYELEHQSBJRAES-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro CC(C)(C)c1n[nH]c(C(=O)O)c1Cl 61441888 QYOXWPPERBXICA-UHFFFAOYSA-N 202.641 2.059 0 40 BEAB CCOc1cc(F)c(C(=O)O)c(F)c1 71867332 CRVNWKFFDWXCGB-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB in-vitro COc1ccc([C@H]2CCCCN2C=O)cc1 72221526 IGWQSQQTTGMYDF-CYBMUJFWSA-N 219.284 2.379 0 40 BEAB Cc1nnc(CN2CCCCCCC2)o1 72318909 BPRJCASMLSDVDR-UHFFFAOYSA-N 209.293 2.144 0 40 BEAB CC(=O)N[C@H](C)c1nc2cccnc2n1C(C)C 72373492 ANYHADHIVOGOCA-SECBINFHSA-N 246.314 2.209 0 40 BEAB O=C(Nc1cn[nH]c1)c1cc2c(F)cccc2[nH]1 73760346 AXYNSNRUAZYMJV-UHFFFAOYSA-N 244.229 2.282 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCOC1 82337165 LNAGLHNDIUPFLM-YPMHNXCESA-N 245.322 2.391 0 40 BEAB COc1c(F)cc(F)c(/C=C/C(=O)O)c1F 83320657 PCXXIQZDOALGLL-NSCUHMNNSA-N 232.157 2.210 0 40 BEAB C[C@H](O)C1(c2ccc(N(C)C)cc2)CC1 84369535 IKSCZMLRIJYAMW-JTQLQIEISA-N 205.301 2.165 0 40 BEAB CN(C)[C@@H]1CC2(CCNCC2)c2ccccc21 84784160 OUHXKKSSLCEYDR-CQSZACIVSA-N 230.355 2.314 0 40 BEAB O=C(O)c1ccc(C(=O)c2cccs2)o1 85394420 RFMQADOIRLWXHJ-UHFFFAOYSA-N 222.221 2.270 0 40 BEAB CCn1cc(NCc2ccoc2C)cn1 85396236 NFGLLFLZXSHCNV-UHFFFAOYSA-N 205.261 2.417 0 40 BEAB CN(C)CCNc1nc(C(F)(F)F)cs1 90998461 RIBVQAMKBCOCIW-UHFFFAOYSA-N 239.266 2.135 0 40 BEAB CCOc1c(C)cccc1CNCCOC 95094838 CITHRZSKYCSGLC-UHFFFAOYSA-N 223.316 2.130 0 40 BEAB OCc1csc(-c2ccc(O)cc2)n1 95635177 VZCPHRCBMAEIKY-UHFFFAOYSA-N 207.254 2.008 0 40 BEAB in-vitro OCC1(Oc2cccc(Br)c2)CC1 96511784 USQULASCMWRDRY-UHFFFAOYSA-N 243.100 2.353 0 40 BEAB OCCCc1cccc(NCc2csnn2)c1 97081664 QJCUTFAQMHZZDA-UHFFFAOYSA-N 249.339 2.075 0 40 BEAB Cc1ccc(NC(=O)CC(=O)C(F)(F)F)cc1 100645481 XPVCNMMEYDYDTM-UHFFFAOYSA-N 245.200 2.455 0 40 BEAB CC(C)(C)NC(=O)N1CCOc2ccccc2C1 124912580 RVNDLHNYKSDWFV-UHFFFAOYSA-N 248.326 2.389 0 40 BEAB COc1ccccc1N[C@@H]1CCCC[C@H]1N 218858013 HKMJGMFSZBIRSZ-GHMZBOCLSA-N 220.316 2.377 0 40 BEAB CCCNc1ccc(N)cc1C(=O)N1CCCC1 225452254 XAZOSKLMIUETEA-UHFFFAOYSA-N 247.342 2.327 0 40 BEAB OC[C@@]1(c2ccccc2)CCN2CCCC[C@H]21 245240297 QKDCTUBAQIWOAZ-LSDHHAIUSA-N 231.339 2.175 0 40 BEAB CCCCNCc1ccnn1CC(F)(F)F 256049465 ABBDPLARCYDVHR-UHFFFAOYSA-N 235.253 2.335 0 40 BEAB Cc1cc(NCc2cnn(C(C)C)c2C)n(C)n1 256052385 NCWVNSOSYDJOLA-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Cc1ccc(N=c2ccc(C#N)n[nH]2)c(C)c1 397042822 LXOLZNOMIKWYNT-UHFFFAOYSA-N 224.267 2.131 0 40 BEAB Cc1cc(N2CCC[C@@H]2c2cn[nH]c2)nc(C)n1 521398499 KLBUIPQQBYCPFO-GFCCVEGCSA-N 243.314 2.158 0 40 BEAB COc1cccnc1N1C[C@@H]2CCC[C@H]2C1 527919787 KGLPVTGZUJUVSP-QWRGUYRKSA-N 218.300 2.327 0 40 BEAB O=Cc1ccc(C(F)(F)Br)nc1 584880327 RDAXKVWZHVKIFZ-UHFFFAOYSA-N 236.015 2.338 0 40 BEAB O=[S@]1C=Nc2ccc(Br)cc21 606423693 RYOASZFHGWRYKF-NSHDSACASA-N 230.086 2.230 0 40 BEAB O=C(CCN1CCCC1)c1ccccc1 393799 WRSWNYCNECGVNL-UHFFFAOYSA-N 203.285 2.355 0 40 BEAB in-vitro CC[C@@H](C)c1cnc(CC(C)C)c(=O)n1O 899957 IUZCDJYHMMWBBE-SECBINFHSA-N 224.304 2.193 0 40 BEAB biogenic,in-vitro CCC[C@@H](CCc1ccccc1)C(=O)NC(N)=O 2042216 WUWVBSFPGZBYGA-LBPRGKRZSA-N 248.326 2.230 0 40 BEAB C/C=C/C(=O)N1CCc2ccccc2C1 4917854 PMLBNJNJOBVUNL-GORDUTHDSA-N 201.269 2.147 0 40 BEAB Cn1ccnc1SCc1ccc2c(c1)OCO2 5359437 NMODUXVCBWHNPE-UHFFFAOYSA-N 248.307 2.441 0 40 BEAB COc1ccc(C(=O)Sc2ncccn2)cc1 5526902 YTOYWVWEFGURMQ-UHFFFAOYSA-N 246.291 2.418 0 40 BEAB Cc1nc(-c2cc(C(=O)O)n(C)c2)cs1 7814927 PBMHNTULTGNALX-UHFFFAOYSA-N 222.269 2.155 0 40 BEAB in-vitro O=C1C2=C(CCCC2)[C@H](O)N1Cc1cccs1 9095211 XEDOVJBPGBJLOL-LBPRGKRZSA-N 249.335 2.279 0 40 BEAB CCNC(=O)Nc1ccc(F)cc1F 9113733 JTDPECQQGROKNR-UHFFFAOYSA-N 200.188 2.106 0 40 BEAB CC(=O)Nc1nnc(C2CCCCC2)o1 10880917 SBKODEUYBFJOJN-UHFFFAOYSA-N 209.249 2.076 0 40 BEAB Cn1c(CCCN)nc2cc(Cl)ccc21 11568671 WHBMCTWEXZVMLX-UHFFFAOYSA-N 223.707 2.118 0 40 BEAB Nc1ccc(-n2cccn2)cc1C(F)(F)F 12480793 HRULHPJPZUKSLZ-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro O=C1O[C@H]([C@H](O)c2cccnc2)c2ccccc21 12941019 BRJQGOZCCGYHKL-OLZOCXBDSA-N 241.246 2.027 0 40 BEAB CC(C)c1cc(=O)c2c(O)cc(O)cc2o1 13329060 VGFBRVLVWZEEIJ-UHFFFAOYSA-N 220.224 2.328 0 40 BEAB biogenic C[C@H](Sc1ccc(F)cc1)C(=O)O 19687173 DCGVRKXPYLZLIS-LURJTMIESA-N 200.234 2.391 0 40 BEAB CC[C@H](C)OC(=O)c1cc(N)ccc1OC 20155974 BTTWSTBCNQYDDX-QMMMGPOBSA-N 223.272 2.233 0 40 BEAB Cn1cc(NCc2ccc(F)cc2)cn1 20350265 ZAJZPRZPJWJCOX-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB COc1cccc(CNc2cnn(C)c2)c1OC 20350270 DYXHNERARKRPIH-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB COc1ccc(C)cc1[C@H](C)NC(C)=O 23923663 BXXSIRKVGDOVRV-VIFPVBQESA-N 207.273 2.201 0 40 BEAB Cc1cc(Cl)ccc1OCc1nnc(N)o1 26473131 YKOYTYBBZGETIF-UHFFFAOYSA-N 239.662 2.193 0 40 BEAB Cn1cccc1C(=O)NCCc1ccccc1F 32676232 PSECODFFNZSJQY-UHFFFAOYSA-N 246.285 2.137 0 40 BEAB Cc1nc(-c2ccc(F)cc2)oc1CC(=O)O 32918997 GAOANHVMKXSMEG-UHFFFAOYSA-N 235.214 2.416 0 40 BEAB COc1ccc(-c2nc(N)cs2)cc1 34363030 FUBOEVBUHWICPA-UHFFFAOYSA-N 206.270 2.401 0 40 BEAB COc1ccc([C@H](N)C(F)(F)F)cc1F 35424467 XXLGVMVNOAINFF-QMMMGPOBSA-N 223.169 2.396 0 40 BEAB in-vitro O=C(CNCC1CCC1)Nc1ccc(F)cc1 37180646 SHRBJRLNLJHRHP-UHFFFAOYSA-N 236.290 2.154 0 40 BEAB COc1ccccc1C[C@H](C)NC1CC1 37183800 PPBVRGUGIVSBGR-JTQLQIEISA-N 205.301 2.378 0 40 BEAB N[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 37381422 QOLIRVSGYNYCCI-HTQZYQBOSA-N 217.190 2.400 0 40 BEAB c1ccc2oc(NC3CCOCC3)nc2c1 37999169 UAFFMRQKENHPCM-UHFFFAOYSA-N 218.256 2.419 0 40 BEAB Cc1csc(SCc2nnc(C)o2)n1 40159251 WPGLAWJGYUYPLO-UHFFFAOYSA-N 227.314 2.435 0 40 BEAB O=C(O)COCCc1ccc(Cl)s1 41044404 JZLXDEBFOGAZGZ-UHFFFAOYSA-N 220.677 2.045 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccccn1 47824108 WZYVDHDGBNQEQH-NWDGAFQWSA-N 248.326 2.155 0 40 BEAB Cc1ccc(C(=O)NC2CCN(C)CC2)c(C)c1 47829169 NXUJFZCBSCZILH-UHFFFAOYSA-N 246.354 2.127 0 40 BEAB CN(Cc1cccc2ccccc12)S(C)(=O)=O 49239067 NHKIYESQGXOMQY-UHFFFAOYSA-N 249.335 2.231 0 40 BEAB OCCCN1CCC[C@H]1Cc1ccccc1 55505100 ZJRCZWCSMZUEAH-AWEZNQCLSA-N 219.328 2.076 0 40 BEAB CCCS(=O)(=O)N[C@@H](C)c1ccccc1 57950391 QZHSWBHQVZONRP-JTQLQIEISA-N 227.329 2.077 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCc2ccncc2)c1 69453452 XPQZZFUTIBSXCA-QWHCGFSZSA-N 244.342 2.326 0 40 BEAB O[C@H]1CN[C@@H](c2ccc(C(F)(F)F)cc2)C1 69971052 FPTFXGDKGHRBMJ-NXEZZACHSA-N 231.217 2.101 0 40 BEAB in-vitro Clc1cc2nc(-c3ccccc3)nn2cn1 71790485 MSTGTUSZWCONIJ-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB in-vitro CCCn1ccc([C@H](C)NCCOC)c1 78406135 UJSFNYZQDKETNA-NSHDSACASA-N 210.321 2.195 0 40 BEAB O=C(O)[C@H]1CCC[C@H]1Nc1ccccc1 83985834 CQPIDJWURGPHPG-WDEREUQCSA-N 205.257 2.352 0 40 BEAB COc1cc(-c2nc(CC(C)C)n[nH]2)ccc1O 85384231 WYMCLWAXVIMQNL-UHFFFAOYSA-N 247.298 2.384 0 40 BEAB CCn1nc(Cc2ccc(C(=O)O)o2)cc1C 85392230 OCYOBWMNWBOTRL-UHFFFAOYSA-N 234.255 2.093 0 40 BEAB CC(C)Cn1cc(C2CCNCC2)cn1 95097683 MXJWVJIWBNBSPG-UHFFFAOYSA-N 207.321 2.006 0 40 BEAB CN(C)c1ccnc(NC(=O)C(C)(C)C)c1 96010799 IKSHNUMLJHTNRS-UHFFFAOYSA-N 221.304 2.132 0 40 BEAB O=C(O)c1c(O)cc(C(F)(F)F)cc1F 97439015 XXBCOPDHZXQLCY-UHFFFAOYSA-N 224.109 2.248 0 40 BEAB CCO[C@H](Cc1cc(C)ccc1OC)C(=O)O 225119083 SYIJFVBOPMAZAP-GFCCVEGCSA-N 238.283 2.036 0 40 BEAB N[C@@H]1CCCc2nc(C(F)(F)F)ccc21 238610380 VZPXCLWPQWQQOV-SSDOTTSWSA-N 216.206 2.437 0 40 BEAB CCCn1cc(CNc2cnn(CC)c2)c(C)n1 256052610 OAESWRXUMMVVRQ-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCn1cc(NCc2c(C)cnn2CC)c(C)n1 256052710 OIMXWEUABMFJBJ-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB COc1nn(C)cc1NCc1cccs1 256052784 OQJJMGAEOQTOIC-UHFFFAOYSA-N 223.301 2.102 0 40 BEAB FC(F)(F)c1ccc(N2C[C@H]3C[C@H]2CO3)nc1 364648001 QYALVGROZRKOIX-DTWKUNHWSA-N 244.216 2.078 0 40 BEAB Cc1nc2ccccc2n1[C@H]1CC[C@H]1O 585298977 XNCQQVKPUUFWOW-NWDGAFQWSA-N 202.257 2.041 0 40 BEAB Clc1cc(Br)cn2ncnc12 675051869 JZKIJFVZZQBSLD-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CC(C)[C@H]1COC(c2ccc3cccnc3n2)=N1 1857775598 MXGVSUNPVBKRCD-GFCCVEGCSA-N 241.294 2.431 0 40 BEAB Nc1cccc(C2=N[C@@H]3C=CC=C[C@@H]3N=C2)c1 169288 NXWUUVBGDHHZDU-QWHCGFSZSA-N 223.279 2.006 0 40 BEAB Cc1csc(NC(=O)c2ccncc2)n1 973646 KQKQZIGQNNYVRQ-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CN1C(=O)S/C(=C\c2ccsc2)C1=O 1096865 JYOJOARECLQHFE-DAXSKMNVSA-N 225.294 2.414 0 40 BEAB CC(=O)Oc1ccc2ccc3nonc3c2c1 1578488 QBEYNYIOQZWDCR-UHFFFAOYSA-N 228.207 2.301 0 40 BEAB CC(=O)N1CCC2(C=Nc3ccccc32)CC1 1628886 FBLRWVCSDVNPNN-UHFFFAOYSA-N 228.295 2.283 0 40 BEAB O[C@H](c1cccnc1)C(F)(F)C(F)(F)F 2528688 XASFXLDZYRSUBH-ZCFIWIBFSA-N 227.132 2.313 0 40 BEAB in-vitro C[C@@H](NCc1ccnn1C)c1ccccc1 4488300 LLBFEICCTQDJNG-LLVKDONJSA-N 215.300 2.271 0 40 BEAB COCCCN[C@H]1CCOc2ccccc21 4570333 FTPVIPPRGOQALE-LBPRGKRZSA-N 221.300 2.136 0 40 BEAB Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)[C@H]2C)cc1 5576432 WOJHDSMKNPNHNF-JTQLQIEISA-N 234.299 2.124 0 40 BEAB Cc1ccc(Cl)c2c(=O)c(C(=O)O)c[nH]c12 5988385 ODWHMFQIJMCAAU-UHFFFAOYSA-N 237.642 2.188 0 40 BEAB COc1cc(/C=C2\C=CC(=O)O2)cc(OC)c1 6180692 NKQAEYUHMBCJGR-BJMVGYQFSA-N 232.235 2.158 0 40 BEAB Cc1nc2ccccn2c1-c1n[nH]c(=S)o1 6527582 SHOQNFLBBCTXLN-UHFFFAOYSA-N 232.268 2.355 0 40 BEAB COc1cc(C)c(CSC(=N)N)cc1OC 6625666 FUVMFFFICZOAPM-UHFFFAOYSA-N 240.328 2.139 0 40 BEAB O=C(O)c1nn(-c2ccccc2)c2c1CCC2 9517184 GLJYJHLGZYJNJK-UHFFFAOYSA-N 228.251 2.059 0 40 BEAB in-vitro O=C(O)[C@H](Cc1cccnc1)c1ccccc1 11570615 WXBSTYAXJVFMOC-CYBMUJFWSA-N 227.263 2.493 0 40 BEAB O=C(Nc1ccccn1)[C@H]1CC=CCC1 12538193 YKSUCZHFZGUTOB-JTQLQIEISA-N 202.257 2.376 0 40 BEAB CC(=O)N[C@H](C)C(=O)Nc1cccc(C(C)C)c1 12847182 RFNVIMCTUQSGCO-SNVBAGLBSA-N 248.326 2.273 0 40 BEAB O=C1CSc2c(cnc3ccccc23)N1 16525513 ZNIDRBYCIYAARE-UHFFFAOYSA-N 216.265 2.279 0 40 BEAB FC(F)(F)/C=C(\N1CC1)C(F)(F)F 17380656 QQGRDTNRUFEFME-ARJAWSKDSA-N 205.101 2.311 0 40 BEAB Nc1cccc(COC[C@H]2CCCCO2)c1 19402450 XHUFKKHHDLIONK-CYBMUJFWSA-N 221.300 2.355 0 40 BEAB in-vitro CCCNCc1cc(OC)ccc1OC 19433392 BWEALHPTUWORBK-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB Nc1cnn(CCCc2ccccc2)c1 19810579 DNLAFILDPWLMQV-UHFFFAOYSA-N 201.273 2.098 0 40 BEAB Nc1nc(=S)cc(-c2ccccc2)[nH]1 20530331 OSIZDBWPPIMRDH-UHFFFAOYSA-N 203.270 2.388 0 40 BEAB CC[C@](C)(C(=O)OC)N1CCCCCC1 22538610 UAXGEFPROGRJKY-GFCCVEGCSA-N 213.321 2.204 0 40 BEAB CCCCC(=O)Nc1ccccc1-n1cncn1 25005486 IYUFSEJWUKLZTE-UHFFFAOYSA-N 244.298 2.396 0 40 BEAB CCn1ccc(NC(=O)c2cc(C)oc2C)n1 27929830 HRUWNGQKAMOZBK-UHFFFAOYSA-N 233.271 2.365 0 40 BEAB COC(=O)/C(=C/N(C)C)c1cccc(Cl)c1 29763304 LVQYIGYXJTTZFX-DHZHZOJOSA-N 239.702 2.416 0 40 BEAB CCC(C)(C)NC(=O)c1cccc2cn[nH]c12 32754803 GUJBUIIDFZPIGM-UHFFFAOYSA-N 231.299 2.481 0 40 BEAB COc1cccc(CN[C@H](C)Cn2cccn2)c1 35259048 GJTJQHZOBICDNJ-GFCCVEGCSA-N 245.326 2.070 0 40 BEAB CC(C)C[C@@H](N)C(=O)N(C)Cc1cccs1 35717473 PHICWTGYLQSQSV-LLVKDONJSA-N 240.372 2.080 0 40 BEAB N[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 37381417 QOLIRVSGYNYCCI-SFYZADRCSA-N 217.190 2.400 0 40 BEAB NC(=O)/C=C/c1ccc(Br)s1 37387390 TZYTYGYHCQXQHN-DUXPYHPUSA-N 232.102 2.009 0 40 BEAB CSc1cccc(NS(=O)(=O)C2CC2)c1 38678582 NGXDPKZMMRMQSH-UHFFFAOYSA-N 243.353 2.313 0 40 BEAB CC(C)CSCC(=O)Nc1cccnc1 40523674 URXMCGGNJFRIKN-UHFFFAOYSA-N 224.329 2.409 0 40 BEAB O=C(COCC1CC1)NCC1CCCCC1 40529810 ZPRXTAKPSDGWRK-UHFFFAOYSA-N 225.332 2.110 0 40 BEAB NC(=O)c1cc(N)ccc1Nc1ccc(F)cc1 41081575 ZIYCMDZXDBGHJU-UHFFFAOYSA-N 245.257 2.250 0 40 BEAB OC[C@H](c1ccc(F)cc1)N1CCCCC1 41242359 SJIFHOMGFFVFOI-CYBMUJFWSA-N 223.291 2.345 0 40 BEAB Fc1ccc(OC[C@H]2CCNC2)c(Cl)c1 42772291 WYHZJQPOAKQUHM-QMMMGPOBSA-N 229.682 2.467 0 40 BEAB Cc1cc(N[C@@H](C)CCc2ccco2)nc(N)n1 43533181 TWMYPQSUFUEZQZ-VIFPVBQESA-N 246.314 2.393 0 40 BEAB CCc1cc(C(=O)N2CCOCC2)sc1C 46869859 SUBPYSQYEBTOPB-UHFFFAOYSA-N 239.340 2.091 0 40 BEAB Cc1cccc(CS(=O)(=O)c2ccccn2)c1 47620147 NWIUBGNRNWABLY-UHFFFAOYSA-N 247.319 2.364 0 40 BEAB O=C(O)c1cccc(C(=O)c2ccco2)c1 49815930 JYIPWWGHUXADLG-UHFFFAOYSA-N 216.192 2.209 0 40 BEAB Cc1ccc(CN(CCO)C(C)C)cc1 49825108 XZONFSPRQJKBQQ-UHFFFAOYSA-N 207.317 2.198 0 40 BEAB COC(=O)CCCC(=O)c1ccc(F)c(F)c1 49830872 BXUICFMIAWNFID-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CC(C)(C)Oc1cc(C(=O)O)c(N)cc1F 50034932 FKUPGSCTUWWIMH-UHFFFAOYSA-N 227.235 2.283 0 40 BEAB in-vitro O=C(O)c1ccc(Oc2ccc3c(c2)OCO3)o1 50907567 KBHAVTJDHNRPHQ-UHFFFAOYSA-N 248.190 2.499 0 40 BEAB C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1 68692368 BVFGCQJZABXITQ-JTQLQIEISA-N 224.735 2.134 0 40 BEAB CCOCCN(Cc1cccc(O)c1)C1CC1 71921798 ASWBNYHJSNZKAI-UHFFFAOYSA-N 235.327 2.393 0 40 BEAB c1ccc(C2CCN(c3ncccn3)CC2)nc1 72348523 OCNVKEBATLPVCG-UHFFFAOYSA-N 240.310 2.256 0 40 BEAB COCc1ccc(C(=O)O[C@@H](C)COC)cc1 73834553 BTMQLLLKJGEJNS-JTQLQIEISA-N 238.283 2.025 0 40 BEAB CN(CCO)Cc1cccc(Cl)c1Cl 77253461 HVASHYFLWWGFOL-UHFFFAOYSA-N 234.126 2.418 0 40 BEAB CC(=O)C1(C(=O)c2ccccc2F)CC1 77299355 FXYAHFLVSLHJQF-UHFFFAOYSA-N 206.216 2.378 0 40 BEAB Cc1[nH]c(C)c(C=O)c1I 78582588 KXTRYOCBTZKJJX-UHFFFAOYSA-N 249.051 2.049 0 40 BEAB CN(C)C(=O)CNc1c(Cl)cccc1Cl 78876654 HHVSMFITMAGCGA-UHFFFAOYSA-N 247.125 2.494 0 40 BEAB Cc1ccc(Br)cc1C(=O)N(C)C 83688952 DVORDWPCULHVLF-UHFFFAOYSA-N 242.116 2.459 0 40 BEAB O=C(O)C1(c2ccnc(C(F)(F)F)c2)CC1 95094302 LFNIFBDYXDMPTD-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB O=Cc1nc2cccc(Br)c2o1 95755763 JRSVEKGCCYOULB-UHFFFAOYSA-N 226.029 2.403 0 40 BEAB in-vitro Cc1ccc([C@@H]2N=C(O)[C@H]3CCCCN23)nc1 95966446 NEZLRIUTSISDMU-VXGBXAGGSA-N 231.299 2.213 0 40 BEAB C[C@H](SCc1nccn1C(F)F)[C@@H](C)O 96430309 BFGLPRYCFJTQGJ-RQJHMYQMSA-N 236.287 2.281 0 40 BEAB CC[C@@](C)(CO)NC(=O)c1ccc(F)cc1C 97081763 PTYZNSLMXLHLHD-ZDUSSCGKSA-N 239.290 2.025 0 40 BEAB CC12C[C@H]3C[C@H](C1)CC(N1CCNCC1)(C3)C2 100099950 PAIHNONTZHVMQI-LMRVLLHPSA-N 234.387 2.251 0 40 BEAB CC(C)C[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 144371044 FSXUSDAPZUNAFB-MNOVXSKESA-N 243.347 2.403 0 40 BEAB N=C(N)c1cc(Cl)cc(Br)c1 199769435 GQCWUAUHQYQXDI-UHFFFAOYSA-N 233.496 2.387 0 40 BEAB COc1ccccc1-n1cnc2c(C)ncnc21 199808895 ZIYKGBLZXXGJIE-UHFFFAOYSA-N 240.266 2.133 0 40 BEAB CN(C)CC[C@@H](CCO)c1ccccc1 217799516 FMPPBHOTCAXSPO-ZDUSSCGKSA-N 207.317 2.104 0 40 BEAB COC(=O)[C@@H](Oc1ccccc1)C(F)(F)F 261829911 YXSACYPPHNXCCL-MRVPVSSYSA-N 234.173 2.169 0 40 BEAB O=C(CCc1cccnc1)N1CC2(CCCC2)C1 548638331 BFYDOQRGMOIDGU-UHFFFAOYSA-N 244.338 2.417 0 40 BEAB CN(C)c1cc(N2CCc3ccccc32)ncn1 585415092 KMYGWMSOJCRZPY-UHFFFAOYSA-N 240.310 2.237 0 40 BEAB CCc1cc(N(C)C[C@@H]2CCCCO2)ncn1 603385039 WIRHZTADJODBLH-LBPRGKRZSA-N 235.331 2.044 0 40 BEAB COc1cc(F)ccc1N1N=C(C)CCC1=O 634625156 ZSWLAHYKKSUVKI-UHFFFAOYSA-N 236.246 2.337 0 40 BEAB O=C1CC[C@@H](Cc2ccccc2)[C@H](C(=O)O)C1 53536 RPYASTUWLRHTAX-WCQYABFASA-N 232.279 2.299 0 40 BEAB biogenic COC(=O)c1cc2ccccc2c(=O)s1 79326 LXCBRCMMHXRQIR-UHFFFAOYSA-N 220.249 2.048 0 40 BEAB biogenic C[C@@H]1S[C@H](c2ccc(F)cc2)NC1=O 128943 GIWCGQHJMAJOSI-QUBYGPBYSA-N 211.261 2.076 0 40 BEAB Cn1nc(C(=O)Nc2ccccc2)cc1Cl 159702 KHRNXBUSOWKSPX-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB O=C(Nc1ccc2c(c1)OCO2)c1ccccn1 171065 QFORJOQLCRHFAV-UHFFFAOYSA-N 242.234 2.063 0 40 BEAB Nc1ccc(-c2ccc(Cl)nn2)cc1 1437381 GUDGWPGQBUYUAS-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB C[C@@](O)(C(=O)O)c1cccc2ccccc12 2045037 GASZMNCYHARHHI-ZDUSSCGKSA-N 216.236 2.132 0 40 BEAB in-vitro Cc1cccc2c(=O)n3c(nc12)CCCCC3 4089273 KVZGXTYBFMHCMT-UHFFFAOYSA-N 228.295 2.431 0 40 BEAB CC(C)OCCCNC(=S)NC1CCCC1 4472790 MCNVNTGJXVLRGH-UHFFFAOYSA-N 244.404 2.208 0 40 BEAB CC(=O)c1cc2c(cc1N=O)OCCO2 4676215 DXQLQTIYTSZTMN-UHFFFAOYSA-N 207.185 2.058 0 40 BEAB Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O 5000259 UAJZOQAQALXJRJ-UHFFFAOYSA-N 249.701 2.031 0 40 BEAB CC(=O)NCCCCCc1nc2ccccc2[nH]1 6743431 OVVVBYUXHNXCDZ-UHFFFAOYSA-N 245.326 2.412 0 40 BEAB C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 11230123 NSBRPVRPAFZSHA-SNVBAGLBSA-N 245.278 2.294 0 40 BEAB Oc1ccc(CNCC(F)(F)F)cc1 19476666 ZTSSPILBBGJNPF-UHFFFAOYSA-N 205.179 2.044 0 40 BEAB CCc1ccc(N(C)CCC(=O)O)cc1 20133744 QTPRPEFWRYNOPW-UHFFFAOYSA-N 207.273 2.160 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)no2)cc1F 27994413 QTJGJQPSLFTBSB-UHFFFAOYSA-N 221.187 2.487 0 40 BEAB CCC(C)(C)NC(=O)Cn1cnc2ccccc21 29358574 WQXSDXCNGXLPKC-UHFFFAOYSA-N 245.326 2.341 0 40 BEAB COc1ccc([C@@H](O)c2ccco2)cc1OC 34447719 PEGLFVHYJCEVNM-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB O=C(NCCc1cccnc1)c1ccc(F)cc1 37492111 DSMJQDNWJHCMGA-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB O=C(c1ccc(Cl)cc1)c1cnccn1 37658100 YXRYQDHLSKMOAL-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB in-vitro CCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 41194510 XIYDXOVBCWBWIY-RYUDHWBXSA-N 225.332 2.347 0 40 BEAB Nc1ccc(OCC2CCOCC2)c(F)c1 52146422 IWDOJHWMDCSVKQ-UHFFFAOYSA-N 225.263 2.213 0 40 BEAB COC(=O)c1ccoc1CN1CCC(C)CC1 55255741 PVZFNZZQIPIPEX-UHFFFAOYSA-N 237.299 2.298 0 40 BEAB CC(C)C(=O)NCCCN(C)c1ccccc1 57288324 HLPWPBRTUVRXNF-UHFFFAOYSA-N 234.343 2.285 0 40 BEAB CNC(=O)c1cc(Br)ccc1C 59859312 HQMSFKCYMRDNAE-UHFFFAOYSA-N 228.089 2.117 0 40 BEAB in-vitro C(=C/c1ccco1)\CN1CC[C@H]2CC[C@@H](C1)N2 65386350 WFLPGWFQIMYDNQ-MFDKULFUSA-N 232.327 2.119 0 40 BEAB C[C@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1 70621190 CWVCDNJHJPPAQD-GZMMTYOYSA-N 238.308 2.148 0 40 BEAB C[C@@H]1CNCCN1Cc1ccc(Cl)c(F)c1 71978866 DLQMXKLGPBMMKX-SECBINFHSA-N 242.725 2.273 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC1CC1 72194527 SQRRQAVVRXZUMD-NSHDSACASA-N 240.347 2.138 0 40 BEAB in-vitro COc1ncc([C@@H]2CCCCN2)cc1C 72217733 MPUFJIBZIBBTIY-NSHDSACASA-N 206.289 2.213 0 40 BEAB C[C@H]1COc2cccc3cc(C(=O)O)n1c23 75627309 IZCUQQFCDPUGFW-ZETCQYMHSA-N 217.224 2.293 0 40 BEAB CCOC(=O)c1nc(-c2ccccc2)oc1N 79006513 CVCNAHPOWFVTKQ-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB Cn1cccc1C(=O)OCC1CCSCC1 80359878 SXGNBXIIYHAJLJ-UHFFFAOYSA-N 239.340 2.325 0 40 BEAB FC(F)(F)[C@@H]1N[C@H](c2ccccc2)CO1 80443165 KWZQDMRRNOKEII-DTWKUNHWSA-N 217.190 2.236 0 40 BEAB CC(C)n1c([C@@H](C)N)nc2cnccc21 84132682 HJAMHJUOVAXGMO-MRVPVSSYSA-N 204.277 2.032 0 40 BEAB C[C@H](Oc1ncccc1C(=O)O)C(F)(F)F 85421424 KHLUBIQGNSAIDB-YFKPBYRVSA-N 235.161 2.109 0 40 BEAB CC1(C)[C@@H](N)C[C@@H]1OCc1ccccc1 85520707 CXYDSYBZISZBRQ-RYUDHWBXSA-N 205.301 2.329 0 40 BEAB in-vitro Cc1nn(-c2ccc(Cl)c(Cl)c2)nc1N 89262541 WPGTVSPJWIUOTI-UHFFFAOYSA-N 243.097 2.465 0 40 BEAB O=C(O)c1nc2cc(F)ccc2cc1F 90558501 VQKKDUAFRXHNJT-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB COC(=O)c1ccc2nc(C(F)(F)F)cn2c1 91293252 RYRYWRGTTHIMLM-UHFFFAOYSA-N 244.172 2.140 0 40 BEAB in-vitro CC(C)N(C)Cc1cn(C)nc1C(F)(F)F 95432631 SLEJZIDZFUGREK-UHFFFAOYSA-N 235.253 2.279 0 40 BEAB Cc1ccc([C@H](N)c2n[nH]c(CC(C)C)n2)cc1 95534174 QTPUWJYHYQYRII-ZDUSSCGKSA-N 244.342 2.360 0 40 BEAB CCOc1cc(Cl)sc1C(=O)O 96510903 FLXAGBUFSYOXKA-UHFFFAOYSA-N 206.650 2.498 0 40 BEAB CCc1c(O)c2ccccc2n(CC)c1=O 100294419 CCOQWQKTSCZAPD-UHFFFAOYSA-N 217.268 2.289 0 40 BEAB O=C(O)C1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 100652052 UGQGOVJTHNLAPL-STQMWFEESA-N 245.322 2.229 0 40 BEAB NC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H]3[C@@H]3[C@@H]2[C@@H]13 101046532 LSSIKEHYDUXQLY-KPPGNLPDSA-N 225.291 2.252 0 40 BEAB CCOc1cccc(C(=O)Nc2cnccn2)c1 125469427 KAWGULRUYPZGLY-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB O=C(O[C@@H]1CCc2cccnc21)c1cscn1 195579212 ODIAYZQHCIIEFC-SNVBAGLBSA-N 246.291 2.382 0 40 BEAB CCc1ccc([C@H]2NC(=O)C3CCN2CC3)cc1 223813776 GDBZHVPRZWZXHQ-AWEZNQCLSA-N 244.338 2.089 0 40 BEAB CC(=O)c1c[nH]c2c(F)c(F)ccc2c1=O 225815728 MZTXQDYZJBEMRT-UHFFFAOYSA-N 223.178 2.009 0 40 BEAB Cc1cnc(N[C@H]2CC[C@H](O)CC2)nc1Cl 242688221 VLACQWICPSBIKC-KYZUINATSA-N 241.722 2.154 0 40 BEAB Cc1c[nH]c([C@H]2CCN(c3ccncc3)C2)n1 257219270 DGFRPGWTXMNWCF-NSHDSACASA-N 228.299 2.107 0 40 BEAB Cc1nc(Br)c(N)cc1Cl 307443455 ASVUWHBNCCMSBA-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB Cn1c(Br)nc2ccccc21 301659 PROLKELCEPYEQT-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB in-vitro NC(=O)c1cccnc1Nc1ccccc1F 481292 SVZJHCAXCIVKGK-UHFFFAOYSA-N 231.230 2.063 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N1 1664702 CIDBGTQSUQXHLM-UWVGGRQHSA-N 225.675 2.218 0 40 BEAB O[C@@]1(c2ccccc2)COc2ccccc2O1 2145824 OLIYXRBEDCJVLH-AWEZNQCLSA-N 228.247 2.303 0 40 BEAB biogenic Clc1ccc2nc(N3CCNCC3)ccc2c1 2527450 GSFXEINORRSYJW-UHFFFAOYSA-N 247.729 2.298 0 40 BEAB in-vivo COC(=O)c1c(C)[nH]c(-c2ccccc2)c1O 3106539 UDSUDYVMTMTKRL-UHFFFAOYSA-N 231.251 2.482 0 40 BEAB COC(=O)C1=CN(C)[C@@H](c2ccccc2)C=C1 5519223 WMCFQZRDOISIHD-CYBMUJFWSA-N 229.279 2.286 0 40 BEAB COc1ccccc1CSCC(=O)O 6259437 XMYXIEDOXCBNOY-UHFFFAOYSA-N 212.270 2.013 0 40 BEAB FC(F)(F)c1nc(Cl)c2[nH]cnc2n1 6345542 GRFXWPMEDWAEMH-UHFFFAOYSA-N 222.557 2.025 0 40 BEAB CC(C)c1ccc(N2CC[C@@H](C(=O)O)C2=O)cc1 11890895 OMXHAZIHQOVUIM-GFCCVEGCSA-N 247.294 2.248 0 40 BEAB in-vitro Cc1ncc2c(n1)N[C@H](c1ccc(F)cc1)NC2 17429566 QSVDGTUZJCSAGB-GFCCVEGCSA-N 244.273 2.138 0 40 BEAB COc1ccc(-c2c[nH]c(=S)nc2N)cc1 18099051 JAXAGPGSZWFXPW-UHFFFAOYSA-N 233.296 2.397 0 40 BEAB C[C@H]1C[C@H]1c1ccc(CNCCN(C)C)o1 19260208 DHAQBFIMXSUXJB-CMPLNLGQSA-N 222.332 2.054 0 40 BEAB CN1[C@H]2CC[C@@H]1c1cc(C(=O)O)sc1C2 20523937 BWFDNMWCTJTXQV-POYBYMJQSA-N 223.297 2.138 0 40 BEAB Cc1ccoc1C(=O)Nc1ccccn1 27654367 CHPHUFKTORCOLJ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB C[C@H](N(C)c1ncnc2c1cnn2C)C(C)(C)C 32779348 AJZXKNDERCPEPH-VIFPVBQESA-N 247.346 2.234 0 40 BEAB COc1cccc(OCC[C@@H]2CCNC2)c1 35598500 JUWMQOQESYDXLC-NSHDSACASA-N 221.300 2.074 0 40 BEAB Cc1cc(NC(=O)c2cc3occc3n2C)no1 36352600 AQZNYZDVTUGIED-UHFFFAOYSA-N 245.238 2.320 0 40 BEAB O=C([C@H]1Cc2ccccc2O1)N1CCCCCC1 36393271 NLNWDJASSDAIMX-CQSZACIVSA-N 245.322 2.393 0 40 BEAB CC(=O)Cn1c(C)cc(=O)c2cccc(F)c21 40164135 LANNMABLQXWKTQ-UHFFFAOYSA-N 233.242 2.038 0 40 BEAB Nc1ccccc1-c1n[nH]c(-c2ccncc2)n1 40175753 JGODTGGRKRVWEI-UHFFFAOYSA-N 237.266 2.116 0 40 BEAB COc1ccc(CCSc2ncn[nH]2)cc1 40456855 HCCKLUIHOYYFGS-UHFFFAOYSA-N 235.312 2.148 0 40 BEAB Cc1noc(C)c1CSCC(=O)NC(C)C 41294824 JCDHYAMKQKKNMR-UHFFFAOYSA-N 242.344 2.049 0 40 BEAB Cc1n[nH]c(C)c1CNC(=O)C1CCCCC1 41533761 CUWFRJGVWJLWOF-UHFFFAOYSA-N 235.331 2.223 0 40 BEAB O=C(NCc1nccs1)c1ccccc1 41538634 PPSFFDKSJJWSFY-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB CC(C)(C)OC(=O)[C@H]1NCCc2ccccc21 43594503 BIBSWYPUCMKWBY-LBPRGKRZSA-N 233.311 2.215 0 40 BEAB OCCc1cc(F)cc(C(F)(F)F)c1 44379809 YXAPZQMIKYUSCX-UHFFFAOYSA-N 208.154 2.379 0 40 BEAB CO[C@H](C(=O)O)c1ccccc1Cl 59434367 GRSXDEKBULWVIL-QMMMGPOBSA-N 200.621 2.112 0 40 BEAB CCC[C@@](C)(NC(=O)[C@@H](C)C(C)C)C(=O)O 69684957 XWRXDKMAQUKABW-JOYOIKCWSA-N 229.320 2.038 0 40 BEAB CCOC(=O)c1noc(C2CCCCC2)n1 71047647 WQRXBJCVSRAHET-UHFFFAOYSA-N 224.260 2.294 0 40 BEAB O=C(NCC1CCCCC1)C1CCOCC1 71186195 NBGAERCGAKGQKG-UHFFFAOYSA-N 225.332 2.110 0 40 BEAB O=c1ccc2ccc(F)c(Br)c2[nH]1 82046910 ZFVLXWUHSUHDGG-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB O=C(O)c1c(C(F)(F)F)noc1C(F)(F)F 82160213 MYSRDWZKCVMUKM-UHFFFAOYSA-N 249.066 2.410 0 40 BEAB in-vitro NC1(c2ccc(Br)cn2)CCC1 83323830 HNFGZABZRQMKMQ-UHFFFAOYSA-N 227.105 2.182 0 40 BEAB C[C@H](CO)CSCC[C@H]1CCCCN1C 85138449 OKGDEYDRIZZEBX-VXGBXAGGSA-N 231.405 2.222 0 40 BEAB CCc1nccn1Cc1noc2c1CCCC2 95441078 NDUBEKKRUOUOAD-UHFFFAOYSA-N 231.299 2.361 0 40 BEAB Cc1nc(-c2cccc(F)c2)c(N)n1C 100761183 WWSCSXSAXPXRCQ-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB C[C@H]1[C@@H](C)[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@H](O)C=C[C@]56[C@H]1[C@@H]43 104290037 VVDJHGYLWXVZIO-PERBPDBHSA-N 228.335 2.317 0 40 BEAB CCOC(=O)Cc1ccc2cnccc2c1 199625087 FRZIOBLOQORNBH-UHFFFAOYSA-N 215.252 2.340 0 40 BEAB in-vitro Nc1cnccc1C(=O)c1ccccc1F 199711585 BVKQDXAVRGBUIB-UHFFFAOYSA-N 216.215 2.034 0 40 BEAB Cc1ccc(CNC(=S)Nc2ccccn2)o1 223903540 RJRXLTROONCBTA-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB CCCCc1cc(O)cc(O)c1C(=O)O 238262779 PCVYYQAXKLEYGV-UHFFFAOYSA-N 210.229 2.139 0 40 BEAB CC(C)c1ccc([C@H]2CNC[C@@H]2CO)cc1 396889105 WPBFLTJXKXQYSU-ZIAGYGMSSA-N 219.328 2.105 0 40 BEAB Fc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 408572266 HUKQCOVMQJZFGT-NSHDSACASA-N 239.315 2.270 0 40 BEAB CCNC(=N)Nc1nc(C)c2cc(C)ccc2n1 408735183 LGBZHLZEECGILN-UHFFFAOYSA-N 243.314 2.203 0 40 BEAB C[C@]12CO[C@]3(CCCO)C[C@H]1CC[C@]23C 583929838 ZSUIQMZRMNHMLR-YVECIDJPSA-N 210.317 2.354 0 40 BEAB Cc1ccc2sc(N3CC[C@H](O)C3)nc2c1C 631099078 FDPXVUBEHKWTRC-JTQLQIEISA-N 248.351 2.484 0 40 BEAB COC(=O)c1nsc(Cl)c1Cl 1052711 CICHVVTYUVANBB-UHFFFAOYSA-N 212.057 2.237 0 40 BEAB O=C(Nc1ccc(O)cc1O)c1ccccc1 1686956 ZFLPRHVYINXHBL-UHFFFAOYSA-N 229.235 2.350 0 40 BEAB CCCC[C@H](CC)COC(=O)[C@H](C)O 1688341 FECDACOUYKFOOP-UWVGGRQHSA-N 202.294 2.127 0 40 BEAB CCCCOC(=O)n1c(=O)oc2ccccc21 2023672 ISBQVEVEWRCLPP-UHFFFAOYSA-N 235.239 2.379 0 40 BEAB CCCC(=O)NC(=O)N[C@@H](C)c1ccccc1 2408670 SBBLVXVTLKVZTE-JTQLQIEISA-N 234.299 2.374 0 40 BEAB Cc1ncc(N)c(C)c1Br 3881101 OXKUDSPWEKACSJ-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB in-vitro NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1ccccc1 4934289 BKESXHFXVXCRRP-XQHKEYJVSA-N 213.280 2.078 0 40 BEAB O=C(NCc1ccco1)c1ccc2[nH]cnc2c1 5928471 JVKRVIOPCBEUAT-UHFFFAOYSA-N 241.250 2.086 0 40 BEAB CCC[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1N2 9937017 HFBNSQOMCGXKBX-LOWVWBTDSA-N 222.332 2.020 0 40 BEAB COc1ccc2c(N)c(C(C)=O)c(C)nc2c1 14291087 DBVQTLYLYQZSIY-UHFFFAOYSA-N 230.267 2.337 0 40 BEAB Cc1cccc(CN2[C@H](C)CNC[C@H]2C)c1 19801245 MXPFEIDQBKAPAW-CHWSQXEVSA-N 218.344 2.177 0 40 BEAB CCOC(=O)c1ccc(Cn2cccc2)o1 20447498 QCGADGUNXLPGOZ-UHFFFAOYSA-N 219.240 2.306 0 40 BEAB O=C(Nc1cccc(Cl)c1)c1c[nH]ccc1=O 22073343 CYHQJYIUZBSOFX-UHFFFAOYSA-N 248.669 2.281 0 40 BEAB COC(=O)[C@H](C(C)C)N1C[C@@H](C)C[C@@H](C)C1 22123344 XGODMWPEWRNOJL-TUAOUCFPSA-N 227.348 2.162 0 40 BEAB Cc1ccc(C(=O)NC2CCCCC2)cn1 23390372 SCIOWHBNHRBUBK-UHFFFAOYSA-N 218.300 2.453 0 40 BEAB COC(=O)[C@@H](Cc1ccccc1)n1cccc1 34613763 WAQVHMLKQJQLKS-CYBMUJFWSA-N 229.279 2.445 0 40 BEAB C=CC(=O)Nc1c(C)nn(C(C)C)c1C 37790546 NJNCJAVSLUVUQA-UHFFFAOYSA-N 207.277 2.205 0 40 BEAB O=C(NCc1nccs1)c1ccccc1F 40437316 LCCCMJPLPVMWPG-UHFFFAOYSA-N 236.271 2.212 0 40 BEAB CCc1ccc(CC2(C(=O)O)CCNCC2)cc1 41299198 FHLCORMARZCLEK-UHFFFAOYSA-N 247.338 2.246 0 40 BEAB in-vitro CCOC(=O)c1cc(F)c(OC)c(F)c1 43503485 BTVKSPOMFLIODO-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB Cc1ncsc1C(=O)N(C)Cc1cccnc1 46736547 PEEVOQSZTPUPBL-UHFFFAOYSA-N 247.323 2.119 0 40 BEAB CC(C)Oc1ncc(Br)cc1CO 50043821 BRKCFQIDHFIGJN-UHFFFAOYSA-N 246.104 2.124 0 40 BEAB Cc1sc(CC(=O)O)nc1-c1ccco1 54084458 FYDZRNASLJYECW-UHFFFAOYSA-N 223.253 2.339 0 40 BEAB CN(C)Cc1cc(Cl)nc(Cl)c1 54959979 ANQQPNSBVGPCSI-UHFFFAOYSA-N 205.088 2.450 0 40 BEAB NC[C@@](O)(Cc1ccccc1)c1ccccc1 55032603 SWLPAKNOXOHUIJ-HNNXBMFYSA-N 227.307 2.076 0 40 BEAB in-vitro O[C@H]1CN[C@H](c2ccc(C(F)(F)F)cc2)C1 69971047 FPTFXGDKGHRBMJ-ZJUUUORDSA-N 231.217 2.101 0 40 BEAB in-vitro C[C@@](C(=O)O)(c1cccs1)N1CCCC1 70453226 WVTPVDNRXHFRSE-NSHDSACASA-N 225.313 2.144 0 40 BEAB COc1ccc2nccc(/C=C/C(=O)O)c2c1 72206439 SJBQOIWNTIMLPT-GORDUTHDSA-N 229.235 2.341 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cnccc1C 72211429 FAIMIOGIQVIDMI-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB COc1ncccc1[C@H]1CCCCN1C(C)=O 72211753 TUJBLEQKRUULIX-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB COc1cccc2c1N[C@H](C(=O)O)[C@@H]1C=CC[C@H]21 72233450 OJDYITLUNFCOOS-JQEORGNBSA-N 245.278 2.234 0 40 BEAB CSCCCN1CCC[C@@H]1c1noc(C)n1 76047171 FFOQFAGJABFGCT-SNVBAGLBSA-N 241.360 2.268 0 40 BEAB Cc1cn2ccc(Br)cc2n1 82373790 WUWNXFKNYAWAAZ-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB in-vitro Brc1cccc(-c2ncncn2)c1 82548261 FBEFGTBROJEHTM-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB COC[C@H](C)NCCc1ccc(C)cc1 89736004 SNHYSXQBUNWUOC-LBPRGKRZSA-N 207.317 2.162 0 40 BEAB NCc1cn(-c2cccc(C(F)(F)F)c2)cn1 95094092 XNWSCAJBRIRZCB-UHFFFAOYSA-N 241.216 2.350 0 40 BEAB C[C@@H]1C[C@@]1(CN)[C@H](O)c1ccc(Cl)cc1 96527180 FMRUFLXRUIWCBX-FXAINCCUSA-N 225.719 2.358 0 40 BEAB Cc1cc(F)ccc1C(=O)OC1CCOCC1 97032011 UXCGDYWDBXFOKK-UHFFFAOYSA-N 238.258 2.470 0 40 BEAB Fc1ccc2c(c1)CCN(Cc1cc[nH]n1)C2 97051063 MOZDNCYPZWTBBS-UHFFFAOYSA-N 231.274 2.107 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC[C@H](N)C1 97092396 QWJJPNGPTIXPLX-WXHSDQCUSA-N 244.338 2.092 0 40 BEAB CCc1ccc2c(c1)[C@@H]1C[C@](C)(NC(=S)N1)O2 101170329 IYLSQGMFAWNLIA-GXFFZTMASA-N 248.351 2.267 0 40 BEAB CC(F)(F)COC(=O)OCC(C)(F)F 114212651 DUTYCAXDZJSCLQ-UHFFFAOYSA-N 218.146 2.450 0 40 BEAB Cc1ccc(C[C@@H](OC(C)C)C(=O)O)cc1 220392333 XYLBHHJKBIEHQL-GFCCVEGCSA-N 222.284 2.416 0 40 BEAB C[C@@H]1C[C@@H]2[C@@H](CN)C[C@H](C(F)(F)F)C[C@H]2O1 225761828 FWJZILYJODZJNY-HOTMZDKISA-N 237.265 2.327 0 40 BEAB COc1ccc2c(c1)C1=C(CO2)NCCC1 526059849 WRJDMZVNRVNWBT-UHFFFAOYSA-N 217.268 2.182 0 40 BEAB Clc1cc(Oc2ccncc2)ncn1 575415059 MYADKBPPFQKFPX-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB Cn1c(O[C@@H]2CCSC2)nc2ccccc21 585652299 WYKNLHFULLOUOT-SECBINFHSA-N 234.324 2.458 0 40 BEAB O=C1NC(=O)/C(=C/Nc2ccccc2F)S1 618255042 NWVVTVZDIVRJCA-YVMONPNESA-N 238.243 2.062 0 40 BEAB Cc1cc(Br)cn2c(Cl)nnc12 675068487 YUPZNGIFPCPVNY-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB CCCOc1cccc(CCC(=O)O)c1 2272032 NJYKLROGKDZZLI-UHFFFAOYSA-N 208.257 2.493 0 40 BEAB biogenic CCCCCC[C@H](C)n1[nH]c(=O)cc1N 2411117 PNQUBAGJEIBGHU-VIFPVBQESA-N 211.309 2.290 0 40 BEAB O[C@@H]1CNCC[C@@H]1c1cccc(C(F)(F)F)c1 3080600 GRVSNFYUBFPYMK-GHMZBOCLSA-N 245.244 2.143 0 40 BEAB O=C(CN1CCCCC1)Nc1cccc(F)c1 3399139 ZHDFYVYUMFJICC-UHFFFAOYSA-N 236.290 2.250 0 40 BEAB CCCCc1nnc(NC(=S)NCC)s1 5375118 VFPBBWCDVSYSMZ-UHFFFAOYSA-N 244.389 2.187 0 40 BEAB CCCC(=O)CC(=O)NCc1ccc(F)cc1 5711293 KULUGYXMMUGAPK-UHFFFAOYSA-N 237.274 2.201 0 40 BEAB CCOC(=O)C1CC(C)(C)NC(C)(C)C1 5854997 IOFIIBRTXAPWLD-UHFFFAOYSA-N 213.321 2.106 0 40 BEAB in-vitro CC(=O)O[C@@H](C[n+]1ccccc1)c1ccccc1 5857477 DCSROCDDJGNFSC-HNNXBMFYSA-N 242.298 2.279 0 40 BEAB Fc1cccc(NC(=S)NC2CC2)c1 7558633 QCCPATXZTIERJK-UHFFFAOYSA-N 210.277 2.275 0 40 BEAB Cc1cc(O)ccc1-n1cccc1C=O 8702356 MDJHOECJHJZVGS-UHFFFAOYSA-N 201.225 2.304 0 40 BEAB Cc1ccccc1-c1ncc(C(=O)O)cn1 8730969 ZCGVZUZQRJMWMP-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB COc1cc2c(c(O)c1Cl)C(=O)O[C@H](C)C2 13459828 FODMMACJFYQIHT-RXMQYKEDSA-N 242.658 2.156 0 40 BEAB biogenic,in-vitro CC(C)C[C@H](O)C(=O)OCc1ccccc1 14491078 LNYCLASVFGVAII-LBPRGKRZSA-N 222.284 2.137 0 40 BEAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)O 19687228 ZOUQEZRWVQATMA-SSDOTTSWSA-N 240.280 2.023 0 40 BEAB COc1ccc(COCCCC(=O)O)cc1 19965603 MKRKDYALTAAJKA-UHFFFAOYSA-N 224.256 2.077 0 40 BEAB COC[C@@H](C)OC(=O)c1cc(Cl)ccc1N 20155172 BVRUXXUSEDIETO-SSDOTTSWSA-N 243.690 2.114 0 40 BEAB CCCCNC(=O)[C@@H](C)Cn1cc(Cl)cn1 32611179 DONFFELTPWZZLT-VIFPVBQESA-N 243.738 2.089 0 40 BEAB CN(Cc1ccc(F)cc1)C1CCNCC1 36301448 ACQDHZQEGWNFHW-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB Cc1nc(C(=O)O)nn1-c1ccccc1C(C)C 36879067 OGFQDTKKGMBXQU-UHFFFAOYSA-N 245.282 2.397 0 40 BEAB in-vitro NC(=O)CCc1ccc(OC(F)(F)F)cc1 38302526 MWBHGEMLTZQHCH-UHFFFAOYSA-N 233.189 2.003 0 40 BEAB O=C(CCc1ccc(F)c(F)c1)NC1CC1 40073438 OJEKXLBKVPDVKS-UHFFFAOYSA-N 225.238 2.176 0 40 BEAB Cc1cccc(C(=O)N2CCSCC2)c1 49208982 AGPIGVWYAXUAIE-UHFFFAOYSA-N 221.325 2.184 0 40 BEAB C[C@]1(c2c(F)cccc2F)C[C@@H]1C(=O)O 52126510 KEZWLMCNLNEKOA-KBUNVGBDSA-N 212.195 2.327 0 40 BEAB in-vitro COc1ccc(OC)c([C@H]2CCCN2C)c1 61799039 IJKQMSYACZBDOL-GFCCVEGCSA-N 221.300 2.471 0 40 BEAB O=C(CNc1ccccc1)NCCC(F)(F)F 63101008 OMSXQAQXVVLWDN-UHFFFAOYSA-N 246.232 2.167 0 40 BEAB COc1ccc(-c2ccnc(C(=O)O)c2)cc1 65347348 CVSCUULRPFQZFO-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB O=C(O)c1c(C(F)(F)F)n[nH]c1C(F)(F)F 68577066 FWWATELKMKWQKZ-UHFFFAOYSA-N 248.082 2.146 0 40 BEAB in-vitro O=C(Nc1ccc2ncccc2c1)[C@@H]1CCOC1 69354805 SDPATCJCSDQDSY-LLVKDONJSA-N 242.278 2.210 0 40 BEAB O=C(CCNc1ccccc1)NCC(F)(F)F 69439443 GAYSTAMMFFZXKT-UHFFFAOYSA-N 246.232 2.167 0 40 BEAB O=C(c1ccc(-c2ccco2)o1)N1CCOCC1 72243275 QSMRUKCIURUYFN-UHFFFAOYSA-N 247.250 2.012 0 40 BEAB CN(C)c1ncccc1N(C)C(=O)c1ccco1 75106189 AEBLFEKTTPBUIF-UHFFFAOYSA-N 245.282 2.017 0 40 BEAB Cc1cc(O)cc(C)c1NC(=O)[C@@H]1CCCCN1 77293610 PNGZGTQKSFXTPA-LBPRGKRZSA-N 248.326 2.090 0 40 BEAB in-vitro CCc1[nH]nc(NC(=O)C2CC=CC2)c1C 83817385 PRWJVVFCSLXDNZ-UHFFFAOYSA-N 219.288 2.185 0 40 BEAB COc1cc(N)c(F)c(C(F)(F)F)c1 91252370 HFYMUTVWAXCASY-UHFFFAOYSA-N 209.142 2.435 0 40 BEAB CCCCOc1ccc(OC)cc1NCCO 95409629 XLGRRWIVAMVBFM-UHFFFAOYSA-N 239.315 2.278 0 40 BEAB NC[C@H]1CCCCN1Cc1ccc(F)c(F)c1 96319958 MSAVCWILDMVVQV-LLVKDONJSA-N 240.297 2.278 0 40 BEAB Cc1cccc(OCc2nccc(N)n2)c1F 97053659 YAYLMTBZFRCHPW-UHFFFAOYSA-N 233.246 2.085 0 40 BEAB CC(C)(CN)c1ccc(Br)cn1 98179628 FOBMLEDZIZMPLA-UHFFFAOYSA-N 229.121 2.080 0 40 BEAB Cc1nn(-c2ccc(F)cc2)c(O)c1C 100072227 PUOWMAZPTQYMCL-UHFFFAOYSA-N 206.220 2.334 0 40 BEAB CN(C)c1cc2c3c(c1)CCCN3CCC2 104141948 BRXWOGNWFNEIHT-UHFFFAOYSA-N 216.328 2.451 0 40 BEAB C[C@@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@H](O)C=C[C@]56[C@H]([C@@H]1C)[C@@H]43 104290053 VVDJHGYLWXVZIO-SBLSSBNJSA-N 228.335 2.317 0 40 BEAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(C)=O)(C3)C2 108424475 DBYLPWRGOWUBGW-FEPKRQSRSA-N 235.327 2.051 0 40 BEAB CCOC(=O)c1ccc2c(c1)nc1n2CCC1 196510464 PIIVIAZYWYHRPB-UHFFFAOYSA-N 230.267 2.159 0 40 BEAB CCCC(=O)N1CCCC[C@@H]1c1noc(C)n1 205699237 ACTNWBIFQUBOHB-SNVBAGLBSA-N 237.303 2.232 0 40 BEAB Cc1nn(C(C)C)cc1NCc1cnn(C)c1C 256054522 WRDOVFFLSXGNIV-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB NCc1cc2ccc(F)cc2nc1Cl 258012766 HKUGAMTUYCZZQC-UHFFFAOYSA-N 210.639 2.486 0 40 BEAB CC(C)n1ncc2c1C[C@H]1CC[C@H]2C1=O 575425191 QAPSVMQNYDDGAG-RKDXNWHRSA-N 204.273 2.083 0 40 BEAB Cc1nccc(O[C@@H]2CCCC[C@@H]2N(C)C)n1 585652120 KTZYWCIDGCUGCO-NWDGAFQWSA-N 235.331 2.037 0 40 BEAB CC[C@](C)(CO)C(=O)N1CCCC(F)(F)CC1 628630664 DWLAJRHZTAXMEU-LLVKDONJSA-N 249.301 2.043 0 40 BEAB CC(C)(C)n1cc(-c2ccc(F)cn2)nn1 656454898 QFQQDABMVIUXFP-UHFFFAOYSA-N 220.251 2.234 0 40 BEAB Cn1cc(Br)c2nc(F)ccc21 953064163 ILHUTWDIEOOOJO-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB CCC(=O)OCC(F)(F)[C@H](F)C(F)(F)F 1083809126 JHUVIPLIFKSQGW-YFKPBYRVSA-N 238.127 2.475 0 40 BEAB CC(C)(C)OC(=O)N1CCCC1=S 385861 LMVGORAVRFZPIO-UHFFFAOYSA-N 201.291 2.345 0 40 BEAB COCC[C@H]1OC[C@@H](c2ccccc2)O1 1689181 MJEPAQAXQVRGOY-RYUDHWBXSA-N 208.257 2.137 0 40 BEAB CO[C@@H](C)CCOC(=O)COc1ccccc1 1768527 OBVOEOZGGDNWNO-NSHDSACASA-N 238.283 2.034 0 40 BEAB COc1cc2c(cc1OC)CC(C)(C)NC2 2479992 XGBVPTOSVHBVGS-UHFFFAOYSA-N 221.300 2.128 0 40 BEAB Cc1ccc(NC(=O)COC(=O)C2CCC2)cc1 3217442 DMWNMTPTWXIPTH-UHFFFAOYSA-N 247.294 2.277 0 40 BEAB CCOc1ccc(OC(C)(C)C(=O)O)cc1 4206799 VMDXPDNFJCQRSN-UHFFFAOYSA-N 224.256 2.327 0 40 BEAB in-vitro Cc1sc(N)nc1-c1ccc2c(c1)OCCO2 4942660 GZUXSYWANTVMEE-UHFFFAOYSA-N 248.307 2.472 0 40 BEAB COC[C@H](C)NC(=O)CCc1ccc(C)cc1 10366474 CRFQUTVBLXIYLX-LBPRGKRZSA-N 235.327 2.079 0 40 BEAB CCNC(=O)Cc1cc(-c2ccc(F)cc2)on1 12864258 VDEGTAWUSMUPQP-UHFFFAOYSA-N 248.257 2.159 0 40 BEAB COc1cccc(C(=O)NC2CCCC2)c1O 12924782 MTUQYMYEJIGYOY-UHFFFAOYSA-N 235.283 2.073 0 40 BEAB COC(=O)c1sc2cc(F)ccc2c1N 15043009 QPPUQPQQFRVVOD-UHFFFAOYSA-N 225.244 2.409 0 40 BEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C 16049039 JNNUQQIWQDCTEM-UHFFFAOYSA-N 241.356 2.380 0 40 BEAB Nc1cc(F)ccc1NC(=O)C1CCC1 20157353 SVTWFQINDYSILZ-UHFFFAOYSA-N 208.236 2.147 0 40 BEAB Nc1ccc(Cl)c(NC(=O)[C@H]2CCCO2)c1 20343071 MMCBXFYAODEJAH-SNVBAGLBSA-N 240.690 2.040 0 40 BEAB Cc1ccccc1[C@@H](CN)N1C[C@@H](C)O[C@H](C)C1 22163987 KUIMRTKOXCKTBR-UMVBOHGHSA-N 248.370 2.104 0 40 BEAB C[C@@H]1CC[C@@H](NCCN2CCCCC2)C1 22455353 OIFGPLMAELDRMO-CHWSQXEVSA-N 210.365 2.251 0 40 BEAB O=C(NCCOc1ccccc1)C1CCCC1 22479821 UGGMETLMYYMXAE-UHFFFAOYSA-N 233.311 2.372 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 23055791 FAGFCRKWFOEFIR-SECBINFHSA-N 235.283 2.442 0 40 BEAB CCSc1nc2ccsc2c(=O)n1C 26098780 BXFOYFNGKIUSNI-UHFFFAOYSA-N 226.326 2.107 0 40 BEAB Nc1cc(C(=O)N2CCCCCC2)ccc1F 33465709 JRCCTRHIKJPSCW-UHFFFAOYSA-N 236.290 2.424 0 40 BEAB COC(=O)[C@H](C)CNC1CCCCCC1 35133592 BOGWZQMKEBIJOE-SNVBAGLBSA-N 213.321 2.108 0 40 BEAB COC(=O)C[C@H](C)NCc1ccccc1Cl 35747998 XHOUUANGUVMOFH-VIFPVBQESA-N 241.718 2.381 0 40 BEAB CCONC(=O)Cc1ccc(C(F)(F)F)cc1 36394708 JYCILNBDUKQJKZ-UHFFFAOYSA-N 247.216 2.316 0 40 BEAB CCOC(=C[C@H](O)C(C)(C)C)OCC 38283624 CNEVMGLWXAXEAK-VIFPVBQESA-N 202.294 2.308 0 40 BEAB CCCC[C@@H](CC)C(=O)OC[C@@H](C)O 38615287 RCYYLBZELJCFBT-NXEZZACHSA-N 202.294 2.127 0 40 BEAB Cc1csc(S[C@H]2CCCCNC2=O)n1 40025137 XABIIRSDCCVYHB-QMMMGPOBSA-N 242.369 2.212 0 40 BEAB COC(=O)CCNC(=O)CCC1CCCCC1 40412999 AECXUTIEYQCFTE-UHFFFAOYSA-N 241.331 2.026 0 40 BEAB CCOC(=O)c1cc(N)ccc1N(CC)CC 41079737 RTEBGUHBCXPCIM-UHFFFAOYSA-N 236.315 2.292 0 40 BEAB Cc1cc(N)n(-c2ccc3cccc(O)c3n2)n1 41671384 RJZSOSHXLSELJY-UHFFFAOYSA-N 240.266 2.017 0 40 BEAB Cc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)o1 43721608 BIPKCIIGNQELHT-QMMMGPOBSA-N 234.259 2.194 0 40 BEAB CC(=O)Nc1cccc(CN2CCCC2)c1 47452106 MSTZPARCYKDZRF-UHFFFAOYSA-N 218.300 2.241 0 40 BEAB CCOC(=O)N[C@H]1CCCN(CC=C(C)C)C1 47796108 RALQPXGDVBLSBW-LBPRGKRZSA-N 240.347 2.163 0 40 BEAB NC1CCC(NCc2cccc(F)c2)CC1 51692859 ZNVUEOTZVJJFLE-UHFFFAOYSA-N 222.307 2.185 0 40 BEAB Clc1cccnc1OC[C@H]1CCCNC1 51883046 SKWXFPVOABRKBB-VIFPVBQESA-N 226.707 2.113 0 40 BEAB C[C@H]1CCC[C@H](CNC(=O)c2cnns2)C1 55487935 PPACRXZTFOLJFZ-IUCAKERBSA-N 239.344 2.094 0 40 BEAB CCCNc1ncc(CN[C@H](C)CC)cn1 62717694 XAKWETVANRYRQR-SNVBAGLBSA-N 222.336 2.187 0 40 BEAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc[nH]1 63108180 VBZGPUQHIIQSRV-AAEUAGOBSA-N 226.279 2.301 0 40 BEAB O=CNC1(C(=O)Nc2ccccc2)CCCCC1 66091325 PFTMVDVSISEZOA-UHFFFAOYSA-N 246.310 2.074 0 40 BEAB Nc1ncnc2c(F)cc(Br)cc12 67172960 UNVPWZRBRPYSDL-UHFFFAOYSA-N 242.051 2.114 0 40 BEAB in-vitro CC[C@@H]1C[C@H](C)CN1CCC(=O)NC(C)(C)C 75022781 ZVVZCTWQPFCRHR-NWDGAFQWSA-N 240.391 2.412 0 40 BEAB CC(=O)Nc1ccc(O)c2c1CCCC2 75606010 UCZOSSVIJDUQAT-UHFFFAOYSA-N 205.257 2.229 0 40 BEAB CCOC(=O)C(C)(C)c1csc(C)n1 78404160 CWCFIUOEFXOYQD-UHFFFAOYSA-N 213.302 2.292 0 40 BEAB CNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 80585707 RKWAVFIDUBBHCR-YPMHNXCESA-N 232.327 2.451 0 40 BEAB O=C(Nc1ccc(O)cc1F)c1ccoc1 82879350 YBVDMNCKOZBATM-UHFFFAOYSA-N 221.187 2.377 0 40 BEAB Cc1c(Br)cc(N)cc1C(=O)O 83890919 SLSYOGCDCXSKSG-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB in-vitro CC(C)c1ccc(CN[C@H](C)CC(N)=O)cc1 84625122 NGDILOQMYJSJGD-LLVKDONJSA-N 234.343 2.164 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)O1 85394760 WJCJCSBZEIWYTB-PSASIEDQSA-N 240.642 2.029 0 40 BEAB C[C@H]1CC[C@@H](C)CN1c1cc(Cl)nc(N)n1 85696300 KYPFPKVBRCSIMQ-SFYZADRCSA-N 240.738 2.337 0 40 BEAB COCCSCc1noc(-c2ccoc2)n1 89420238 AKCAXKYRMLYPEP-UHFFFAOYSA-N 240.284 2.209 0 40 BEAB O=C(O)c1cncc(C(F)(F)C(F)(F)F)c1 91252426 FFALAWAHLYRURL-UHFFFAOYSA-N 241.115 2.434 0 40 BEAB CCC(CC)CNCC1(N(C)C)CCOCC1 95434015 IJCJMELASWZCDE-UHFFFAOYSA-N 242.407 2.123 0 40 BEAB COC(=O)c1c(C)ccc2c1NCCC2 95929770 YLQVNDCOKDIINR-UHFFFAOYSA-N 205.257 2.140 0 40 BEAB Cc1ccc(CCN2CCCC[C@@H]2CN)cc1 96523602 IYMYONPQPCUSEO-OAHLLOKOSA-N 232.371 2.351 0 40 BEAB C[C@H]1C[C@@H](NC[C@]2(O)CCSC2)CC[C@H]1C 97146664 FPGDMRJTJQBBIO-MROQNXINSA-N 243.416 2.269 0 40 BEAB CN(C)C(=O)c1ccc(-n2cccc2)c(F)c1 103930103 ATAAPRFSXHDIGK-UHFFFAOYSA-N 232.258 2.318 0 40 BEAB O=C(O)[C@@H]1CC[C@H](Nc2ccccc2)C1 114099944 OMPZEVZQYNKGJO-KOLCDFICSA-N 205.257 2.352 0 40 BEAB O=C(O)c1cc2c(C(F)(F)F)cccn2n1 116801279 GPCHAZWWOQKFBI-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB O[C@H](c1ccc(Cl)cn1)C(F)(F)F 224974306 IGZQNCMMZLCGRS-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB CCCO[C@@H](Cc1ccc(OC)cc1)C(=O)O 225103136 PTWILDTYRHMTMD-LBPRGKRZSA-N 238.283 2.118 0 40 BEAB Cc1cccc(C)c1C[C@H](C(=O)O)N1CCCC1 225141709 PMBKKXPAZOCOKZ-CQSZACIVSA-N 247.338 2.395 0 40 BEAB CCc1ccc(C=O)n1-c1cccnc1 225302290 IBTJTTLRAIFISC-UHFFFAOYSA-N 200.241 2.247 0 40 BEAB COC(=O)c1cnn2c(C)ccc(Cl)c12 238335963 UKHXTAXHAHLFKQ-UHFFFAOYSA-N 224.647 2.083 0 40 BEAB CCOc1cc(F)c(C#N)cc1C(C)=O 575642640 FYCQUNSAAOFDDQ-UHFFFAOYSA-N 207.204 2.299 0 40 BEAB COCCOCC(Cl)(Cl)Cl 1083807034 SMDMAMYBQOCZNY-UHFFFAOYSA-N 207.484 2.020 0 40 BEAB CCCN1C2=NCCN2c2ccccc21 1244540 SFCZUTISULZKDZ-UHFFFAOYSA-N 201.273 2.093 0 40 BEAB CCN(CC)CCOC(=O)Cc1ccccc1 1649117 RWVYTYAOLUZVRV-UHFFFAOYSA-N 235.327 2.114 0 40 BEAB CC1(C)[C@@H]2[C@H]1C(=O)CC[C@@H]1CC[C@](C)(O)[C@H]12 4104698 MPVLWELHRXVGPH-HSZBIYQXSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CC(C)N1CCC[C@H](C(=O)N2CCCCC2)C1 4745324 JEBCCDRTQHAFQC-ZDUSSCGKSA-N 238.375 2.119 0 40 BEAB O=C(O)c1ccc(NCc2ccccn2)cc1 5162958 KDYZAXNHGFVBMN-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB COc1cccc(C(=S)N2CCCC2)c1 9189011 QQIPXBORDIYZSR-UHFFFAOYSA-N 221.325 2.467 0 40 BEAB O=C(NCc1ccco1)NCc1cccs1 9874408 KTLLAYGUMFWTSA-UHFFFAOYSA-N 236.296 2.341 0 40 BEAB O=C(O)C1=NO[C@@H](c2ccc(Cl)cc2)C1 12398973 LNDRHUYPIJWCEO-SECBINFHSA-N 225.631 2.242 0 40 BEAB COC(=O)c1oc(Br)cc1C 12879619 GOGYIULQMOBHEO-UHFFFAOYSA-N 219.034 2.137 0 40 BEAB in-vitro Nc1cc2cc(F)ccc2nc1C1CCNCC1 19346113 OOTODBWFNYAYGO-UHFFFAOYSA-N 245.301 2.423 0 40 BEAB CCOc1ccc([C@H](C)NCCOC)cc1 19881554 PIEIRCXDEORZFC-NSHDSACASA-N 223.316 2.382 0 40 BEAB COCCN[C@@H](C)c1ccc(F)cc1F 19881616 ZXVDIWKMIZVBDU-QMMMGPOBSA-N 215.243 2.262 0 40 BEAB Cc1cccc(-c2ncc(C(=O)O)c(C)n2)c1 20156525 BYLAYZOVGAJOHO-UHFFFAOYSA-N 228.251 2.459 0 40 BEAB CCCc1cc(C(=O)N2CCCCCC2)[nH]n1 29462464 UEHFOUYHKAPCPH-UHFFFAOYSA-N 235.331 2.378 0 40 BEAB O=C(CCN1CCCC1)N1CCc2ccccc21 32870685 BXLJUQNKSGLEHF-UHFFFAOYSA-N 244.338 2.062 0 40 BEAB C[C@H]1CCC[C@@H](N(C)C2CCNCC2)[C@@H]1C 32917455 RQQVPELTBHOUKM-OUCADQQQSA-N 224.392 2.495 0 40 BEAB COc1ccc(C2(C(=O)O)CCC(=O)CC2)cc1 35630104 NODRSUJSUMYDRR-UHFFFAOYSA-N 248.278 2.161 0 40 BEAB Cc1ccc(C(C)C)c(S(=O)(=O)O)c1 39435956 RXXQCJSZVVTLJB-UHFFFAOYSA-N 214.286 2.365 0 40 BEAB CCCNCc1cnn(C2CCCC2)c1 40932630 QUFNANLJIFMFOW-UHFFFAOYSA-N 207.321 2.498 0 40 BEAB CC(C)CCNC(=O)c1cc(C2CC2)on1 41452824 QYEJAARCDAYDNZ-UHFFFAOYSA-N 222.288 2.328 0 40 BEAB COCCN(C)Cc1ccc(OC(F)F)cc1 53419736 FJOCKKUJNMBCTL-UHFFFAOYSA-N 245.269 2.366 0 40 BEAB Cc1cccc(NC(=O)c2ncccn2)c1 62021846 CWFLBCWZMAGKTN-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCc1ccc2c(c1)c(=O)ccn2[C@H](C)C(=O)O 62719752 SLOKIACGOOCSJC-SECBINFHSA-N 245.278 2.210 0 40 BEAB Cc1nc(C(=O)OCc2ccccn2)cs1 66959810 BLDKTYUKXZUNEG-UHFFFAOYSA-N 234.280 2.204 0 40 BEAB FC(F)(F)[C@H](c1ccccc1)N1CCNCC1 68589920 CQHRSOBOUDXSBZ-NSHDSACASA-N 244.260 2.195 0 40 BEAB in-vitro Cc1cccc(C(=O)N2CCC[C@H](C)[C@H]2CN)c1 70176208 CXDLKTMHAJWXGV-GXTWGEPZSA-N 246.354 2.194 0 40 BEAB C[C@@H](O)c1c(Cl)nc2sccn12 71372301 PNSGXXCGFMEHNT-SCSAIBSYSA-N 202.666 2.103 0 40 BEAB in-vitro CCCCS(=O)(=O)c1cccc(C=O)c1 72209819 PZDSOWVRHJZEGJ-UHFFFAOYSA-N 226.297 2.073 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@@H](CN)CO)C2 72210463 OCNAGPQNZVNTGV-NOHGZBONSA-N 211.349 2.016 0 40 BEAB O=C1N[C@H](c2cc(Br)cs2)CO1 72417702 HBTAFFZMAKCCLZ-YFKPBYRVSA-N 248.101 2.292 0 40 BEAB Cc1ccsc1CN(C(=O)[C@H](C)N)C(C)C 79436445 MTIUQMLNOPMRQM-JTQLQIEISA-N 240.372 2.141 0 40 BEAB O=Cc1[nH]c2cccnc2c1Br 82361012 VTWSXWDHZPLOAT-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Clc1cc(OC2CCOCC2)ccn1 82605603 VVXPNCGMUNNJSJ-UHFFFAOYSA-N 213.664 2.293 0 40 BEAB CCC[C@@H](N)CN(C)CCc1ccccc1 83852698 DDQWMWDOYWLRLU-CQSZACIVSA-N 220.360 2.288 0 40 BEAB COC(=O)[C@@H](O)Cc1ccc(Cl)cc1Cl 84379110 MOJHSJMHVNYIDB-VIFPVBQESA-N 249.093 2.070 0 40 BEAB C[C@@H](c1ncc(C(C)(C)C)o1)S(C)(=O)=O 85226064 FYYJWDWVIMJHJS-ZETCQYMHSA-N 231.317 2.078 0 40 BEAB COC(=O)[C@@H]1O[C@]1(C)c1cccc(Cl)c1 85657578 DRJTWSSWHQHRLH-GXSJLCMTSA-N 226.659 2.127 0 40 BEAB CC(C)[C@H]1CN(C[C@@H]2CCOC2)CCS1 89802142 HYDNABAJSAZKHF-NWDGAFQWSA-N 229.389 2.096 0 40 BEAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2O)CC1 90411022 WDKIIEDHAHSCRN-JTQLQIEISA-N 241.331 2.158 0 40 BEAB in-vitro CC(C)Cc1ccc(CN[C@@H](C)CC(N)=O)cc1 95431125 PAMYPKSDBPIEOK-LBPRGKRZSA-N 248.370 2.239 0 40 BEAB Cc1ccc([C@@H](O)c2ccc3c(c2)OCO3)o1 95727191 LQRWDHXVEQAIKO-ZDUSSCGKSA-N 232.235 2.398 0 40 BEAB COc1ccc(SC(C)=O)c(OC)c1 95731038 WIAXICPTGBGNPM-UHFFFAOYSA-N 212.270 2.342 0 40 BEAB CC(C)(C)c1cc(N)n(Cc2cccnc2)n1 95829299 IDHQPQHATPBXRK-UHFFFAOYSA-N 230.315 2.206 0 40 BEAB in-vitro O=C(O)c1c[nH]c2ccc(OC(F)F)cc12 96321418 PVFJCOSHTHYNBT-UHFFFAOYSA-N 227.166 2.468 0 40 BEAB CCOC[C@@H](C(=O)O)C1CCCCC1 96526854 YIRRHJUUBPMCTO-SNVBAGLBSA-N 200.278 2.304 0 40 BEAB NC(=O)c1c(C2CCCCC2)csc1N 100619415 QPTKUNNXALYEEG-UHFFFAOYSA-N 224.329 2.477 0 40 BEAB in-vitro OC12C3CCC[C@@]14CCC[C@@]2(CCC3)O4 103109527 HLKDPNIGJWAHCF-QZQSVVMZSA-N 208.301 2.393 0 40 BEAB C/C(NCCc1ccccc1)=C1\CCOC1=O 104168003 DDGZHQCGFGOVJG-QBFSEMIESA-N 231.295 2.040 0 40 BEAB CC[C@@H](O)c1c(Cl)ncnc1Cl 113541732 FVBJBAHHSONBOC-SCSAIBSYSA-N 207.060 2.227 0 40 BEAB Clc1nc2c(c3cccnc13)CCO2 196298877 GRIKXIOXSXQDSA-UHFFFAOYSA-N 206.632 2.218 0 40 BEAB Cc1cccc(C)c1OCc1ncc(C=O)cn1 217376927 PCEDVAWUOOGELU-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB O[C@@H]1CCC[C@@H]1N1CCCc2ccccc21 217798058 QUKWNFUUTBVFCD-UONOGXRCSA-N 217.312 2.353 0 40 BEAB CCN1CCN(c2cc(C)c(N)cc2C)CC1 223781386 DFBVXJZFOJIGHT-UHFFFAOYSA-N 233.359 2.028 0 40 BEAB O[C@@H](c1ccc(Cl)cn1)C(F)(F)F 224974266 IGZQNCMMZLCGRS-LURJTMIESA-N 211.570 2.331 0 40 BEAB CN1CC[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1 238855831 SWUYIEMZURPOKG-GHMZBOCLSA-N 228.698 2.183 0 40 BEAB in-vitro CCCn1ncc(N)c1NC(=O)OC(C)(C)C 1548918786 HJABJRHVPBUVNV-UHFFFAOYSA-N 240.307 2.222 0 40 BEAB COc1cc2c(cc1OC)C(=O)CCS2 384055 WOVHGMBVSIIGQA-UHFFFAOYSA-N 224.281 2.382 0 40 BEAB biogenic Clc1cccc(Cl)c1CNn1cnnc1 576242 SZTJUVCPPXNTLQ-UHFFFAOYSA-N 243.097 2.329 0 40 BEAB O=c1oc2ccccc2n1CCN1CCCCC1 1652411 TXACIQGUKJSIDI-UHFFFAOYSA-N 246.310 2.080 0 40 BEAB O=C1CCN2CCC(=O)c3c(Cl)ccc1c32 1700511 TZTFQNSALFVOBE-UHFFFAOYSA-N 235.670 2.319 0 40 BEAB COCCCNc1ncnc2ccc(C)cc12 1774698 PUVCHUFJWGUBOC-UHFFFAOYSA-N 231.299 2.387 0 40 BEAB COc1ccc(C2=NCOCS2)cc1 3633852 PIAHAZMFEBRXRT-UHFFFAOYSA-N 209.270 2.120 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(OC)c1 5461571 ADRWLHXWNYGAMI-WCBMZHEXSA-N 235.283 2.298 0 40 BEAB O=C(O)/C=C/c1c[nH]nc1-c1ccccc1 6565808 KDTWPCUMNLTCRW-VOTSOKGWSA-N 214.224 2.175 0 40 BEAB S=c1ccc(I)c[nH]1 14983027 IKMOTDFDGKPQRC-UHFFFAOYSA-N 237.065 2.349 0 40 BEAB Nc1ccccc1-c1nc(-c2ccncc2)no1 20004334 RAHMQIJNGZTKBH-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB CCCC(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20136520 JPLOAOICRLKZBW-UHFFFAOYSA-N 237.255 2.137 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)C[C@@H]1C=CCC1 22838074 WIHHPKIOTPFELZ-LLVKDONJSA-N 233.315 2.332 0 40 BEAB O=C(Nn1cnc2ccccc21)C1CCCC1 27033672 MWRJUPHJARQWMB-UHFFFAOYSA-N 229.283 2.297 0 40 BEAB Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)on1 28575874 PCJZXKDHLBYRDP-DTORHVGOSA-N 222.288 2.101 0 40 BEAB CC(C)C(=O)N(C)Cc1nc2ccccc2[nH]1 31913827 WMISDWLJGJGFRR-UHFFFAOYSA-N 231.299 2.177 0 40 BEAB CC(C)N(CC(=O)O)Cc1ccc(F)cc1 32014937 LXPCRXOPEDXHHI-UHFFFAOYSA-N 225.263 2.121 0 40 BEAB CC(C)NC(=O)NCCc1cccc(F)c1 32870514 VXFHTXPRNHSYQV-UHFFFAOYSA-N 224.279 2.076 0 40 BEAB CC(C)CC(=O)N1CCC[C@@]2(CCCNC2)C1 33426505 HBZBZOHXYWOWFN-CQSZACIVSA-N 238.375 2.025 0 40 BEAB CC(=O)Nc1nnc(-c2cc(C)cc(C)c2)o1 36682026 KRGQHKTXSWYBFD-UHFFFAOYSA-N 231.255 2.312 0 40 BEAB O=C1CCN(c2ccc(Br)cc2)C1 37240046 MSTMUANLQSGAQM-UHFFFAOYSA-N 240.100 2.228 0 40 BEAB NC(=O)c1cccc(SC(F)(F)F)c1 39953671 WZONMKGSFVHSHM-UHFFFAOYSA-N 221.203 2.397 0 40 BEAB CC(C)c1n[nH]c(-c2cccc(N)c2)n1 40175782 CWPQMMYBLIGSQD-UHFFFAOYSA-N 202.261 2.177 0 40 BEAB CCONC(=O)CCCOc1ccccc1C 40490122 SJMLYNGPUZBVBE-UHFFFAOYSA-N 237.299 2.222 0 40 BEAB O=C(CC[C@H]1CCCO1)NCc1cccs1 40506201 OHYSXVLEKJNGMK-SNVBAGLBSA-N 239.340 2.324 0 40 BEAB CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 41194565 IBDMIFOARPMDBY-GHMZBOCLSA-N 225.332 2.203 0 40 BEAB c1cnc(SCC[C@@H]2CCCCN2)nc1 43499514 YZOMIMDAAKNANM-JTQLQIEISA-N 223.345 2.101 0 40 BEAB CCOC(=O)c1c[nH]c2ccc(F)cc12 44200667 OXZVNEBLLXQRRY-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB CC[C@@H](N)Cc1cn(C)c2ccccc12 44403350 QCCHEOSPOWQOMQ-LLVKDONJSA-N 202.301 2.458 0 40 BEAB in-vitro COC(=O)NCc1nc2cc(Cl)ccc2[nH]1 51074517 VGDXLRJHRJDFOK-UHFFFAOYSA-N 239.662 2.072 0 40 BEAB c1ccc(-c2csc([C@H]3CNCCO3)n2)cc1 57217733 YZFGSIUOHSCTRK-GFCCVEGCSA-N 246.335 2.471 0 40 BEAB in-vitro Cc1ccc(CN[C@@H](CO)Cc2ccccc2)o1 63218128 MHVAAZHMKCEZDJ-CQSZACIVSA-N 245.322 2.281 0 40 BEAB CCc1noc(CN2CCC[C@H](CC)C2)n1 65554812 FPYSSIKYDCAYLY-JTQLQIEISA-N 223.320 2.254 0 40 BEAB Cc1nc(Cl)cc(N[C@@H](CO)CC(C)C)n1 69848805 DPHXCMGSUZBBSX-SECBINFHSA-N 243.738 2.257 0 40 BEAB O=C([C@H]1CCCN1)N1CCC[C@@]2(CC=CCC2)C1 76091284 RNEASRJLUAQTHY-HIFRSBDPSA-N 248.370 2.087 0 40 BEAB CN1CCC(O)(c2ccc(Cl)c(F)c2)CC1 79030387 ZYBMVCZREHLXME-UHFFFAOYSA-N 243.709 2.392 0 40 BEAB Fc1ccc(OCCC2OCCCO2)cc1 84192567 CCCASVRJFUFHBM-UHFFFAOYSA-N 226.247 2.358 0 40 BEAB CCOC(=O)c1ncc(Br)cc1C 90413428 ZZKIZHFVMLOYHR-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB O=C(O)Cc1ccc(OC(F)(F)F)cc1F 91252019 SCGLNHLUACANGU-UHFFFAOYSA-N 238.136 2.351 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CC[C@H]1CO)CC2 91304480 SINYZZWXJNWNAG-JTQLQIEISA-N 241.331 2.158 0 40 BEAB CC[C@H](C)NC(=O)CCN[C@H](C)C(C)(C)C 95421007 GMFPTUIDBJDPIO-WDEREUQCSA-N 228.380 2.315 0 40 BEAB CC(C)CCC(=O)N[C@H]1CCCc2cn[nH]c21 95423935 SGAWEDOGIHACOC-NSHDSACASA-N 235.331 2.340 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)nc1 95448441 ZTECGFYZKXSCBM-CMPLNLGQSA-N 246.310 2.334 0 40 BEAB CCOC(=O)C(=O)c1ccccc1C(F)F 95634652 DTGCGYPRBPTFCS-UHFFFAOYSA-N 228.194 2.370 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](C)[S@](C)=O 97099006 DTHDAAIEJBGXJU-VPWBDBDCSA-N 243.416 2.335 0 40 BEAB CC[C@](C)(C(=O)O)c1ccc(OC)cc1 107205575 BZPDYADLDKBPDE-LBPRGKRZSA-N 208.257 2.448 0 40 BEAB CC[C@H](C)CC(=O)N1CCOCC1(C)C 190043297 WYPZEHRCSNVIQC-JTQLQIEISA-N 213.321 2.060 0 40 BEAB CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H](N)C1 216550243 PIBNHYAGDOXHSE-CABZTGNLSA-N 228.336 2.171 0 40 BEAB CC(=O)Nc1ccc(-c2noc(C)n2)cc1 219037091 YVZVXULQNDINJO-UHFFFAOYSA-N 217.228 2.003 0 40 BEAB Cc1ccccc1C[C@H](OC(C)C)C(=O)O 220392436 RQPBMQZEFMUIGT-LBPRGKRZSA-N 222.284 2.416 0 40 BEAB CCCCCNc1ccc(N)cc1C(=O)NC 225491355 NFGCQUOTLHZHJZ-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB Cc1ccc(CN2CCN[C@H]3CCC[C@@H]32)cc1 225715594 SEBNHSQPYQEASB-GJZGRUSLSA-N 230.355 2.321 0 40 BEAB CCn1cc(NCc2cnn(C(C)C)c2)cn1 230348490 LRFRLHNUULFMJU-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB C[C@@H](c1ccccc1)N1C[C@@H]2CCNC[C@@H]21 238457534 NGNQCJGKLHCSKU-UBHSHLNASA-N 216.328 2.041 0 40 BEAB Fc1ccc(COc2cnccn2)cc1F 585655228 XMGFWZGRFCXQSR-UHFFFAOYSA-N 222.194 2.334 0 40 BEAB Cc1ccnc(NC(=O)c2nc(C)cc(C)n2)c1 1888864085 IUAMVNBBDFSYKP-UHFFFAOYSA-N 242.282 2.049 0 40 BEAB CC(=O)O[C@H]1C=C(C)c2ccc(O)cc2O1 156835 GEZBAOYXNXCUFM-GFCCVEGCSA-N 220.224 2.077 0 40 BEAB biogenic,in-vitro O=C(O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 333455 YQXJBYAQGPMUEP-RFZWMSCOSA-N 238.283 2.132 0 40 BEAB in-vitro OCCCCCNc1ncnc2ccccc12 1912272 ZNUMZLAJNULFGL-UHFFFAOYSA-N 231.299 2.204 0 40 BEAB CC(C)C[C@](C)(NC(=O)OC(C)(C)C)C(=O)O 2583185 GYOVBMLJVOOBQA-LBPRGKRZSA-N 245.319 2.401 0 40 BEAB COc1ccc(NC(=O)C2CCC2)c(OC)c1 3606813 PPNNTNFCEWAOOA-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(C)c1 8478230 ULMAHTSLPNRPEG-NSHDSACASA-N 221.300 2.159 0 40 BEAB O=C(NCc1ccccc1)NCc1cccnc1 12545037 MRQMRGPCBQTQDN-UHFFFAOYSA-N 241.294 2.081 0 40 BEAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCO1 12982567 UOFWAPXVZQBOSB-WCQYABFASA-N 233.311 2.351 0 40 BEAB CC(C)c1ccc(S(=O)(=O)NC2CC2)cc1 13938444 KUSRIONLIXBKEW-UHFFFAOYSA-N 239.340 2.251 0 40 BEAB CN(C)c1ccc2c(Cl)cc(=O)[nH]c2c1 16941219 QPJFBSMPCBXHBH-UHFFFAOYSA-N 222.675 2.248 0 40 BEAB CCC1(CC)NC(=S)N(CCC(C)C)N1 18275978 FXSJMOZHAYNDSS-UHFFFAOYSA-N 229.393 2.244 0 40 BEAB Nc1cccc(COC[C@@H]2CCCCO2)c1 19402447 XHUFKKHHDLIONK-ZDUSSCGKSA-N 221.300 2.355 0 40 BEAB in-vitro CCCCNCc1ccc(OC)c(O)c1 19906921 SICRURPCXBMZLR-UHFFFAOYSA-N 209.289 2.291 0 40 BEAB N[C@H](CCN1CCCC1)c1ccccc1 20071409 RHWJDWSPXMBBDM-CYBMUJFWSA-N 204.317 2.172 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCC[C@@H](C)C1 22123474 MGVMHLJMIWYJRP-PWSUYJOCSA-N 213.321 2.060 0 40 BEAB COCC(=O)Nc1nc(C(C)(C)C)cs1 22845637 AENGWHDOVDIJTG-UHFFFAOYSA-N 228.317 2.026 0 40 BEAB C[C@@H](CNCc1ccccn1)Oc1ccccn1 35684104 LDGOZLDQUMPDCZ-LBPRGKRZSA-N 243.310 2.034 0 40 BEAB COC(=O)c1cc(-c2ccccc2)c[nH]1 35882120 HTDLNIQLELERCP-UHFFFAOYSA-N 201.225 2.468 0 40 BEAB in-vitro CNCCNCc1ccc(C(C)(C)C)cc1 39289705 OFEKQKWJDWPJMC-UHFFFAOYSA-N 220.360 2.293 0 40 BEAB Cc1cc(-c2ccc(N)nn2)ccc1F 41211492 HOXCRYYPFZMJEW-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB CCOc1ccccc1OC[C@@H]1CCNC1 42772404 ZANSFRWXGJTBLF-LLVKDONJSA-N 221.300 2.074 0 40 BEAB Clc1ccc2nncc(N3CCOCC3)c2c1 46087306 DMCUIVXGZVTHFQ-UHFFFAOYSA-N 249.701 2.120 0 40 BEAB C1=C(N2CCCC2)CCCC1=[N+]1CCCC1 49537585 RNRTUJRRICBVIQ-UHFFFAOYSA-N 219.352 2.397 0 40 BEAB CNC(=O)CCSc1ccccc1F 57792525 BERQQFYNGXPNLE-UHFFFAOYSA-N 213.277 2.054 0 40 BEAB Nc1ccc(-n2cnc(Cl)c2Cl)nc1 61714979 GDGQHMFYAHDYJE-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB COC(=O)c1ccc2c(NC(C)C)ncnc2c1 61997401 VMFNBAWEUQCSFP-UHFFFAOYSA-N 245.282 2.237 0 40 BEAB C[C@H](N)c1nc(C2=Cc3ccccc3OC2)no1 62716583 TUFLYNWIDXPFBN-QMMMGPOBSA-N 243.266 2.022 0 40 BEAB C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 71856464 GGRWGASDGBEPAU-ONGXEEELSA-N 247.294 2.334 0 40 BEAB CC[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208744 BVFMHTQWUQVZBV-WDEREUQCSA-N 243.347 2.404 0 40 BEAB c1cc(N2CCCC2)ncc1C1=NCCC1 72215903 JSYLWPVPEZJICH-UHFFFAOYSA-N 215.300 2.265 0 40 BEAB COc1c(C(=O)O)ccc(C)c1Cl 82912723 QKJFMZQPAMLQMA-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB Brc1nc2ccc3nccnc3c2[nH]1 85399309 GINMQVGDATYAHG-UHFFFAOYSA-N 249.071 2.269 0 40 BEAB CC(C)(C)C(=O)NC[C@@H]1CCCS1 87475651 CSPGFVNGVTVLER-QMMMGPOBSA-N 201.335 2.044 0 40 BEAB Fc1cccc(CN2CC[C@]23CCCNC3)c1 96239481 BTTLYIOIYJWSRK-AWEZNQCLSA-N 234.318 2.154 0 40 BEAB NC[C@H]1CCCCN1CCc1ccc(F)cc1 96523598 RWAPTHDGEHBIDG-CQSZACIVSA-N 236.334 2.181 0 40 BEAB CCc1cc(N[C@H]2CCCSC2)n(C)n1 97370887 YSANUSZHYSHJIV-JTQLQIEISA-N 225.361 2.290 0 40 BEAB CN1[C@@H]2CCC[C@@H]1CC(OC(=O)c1ccco1)C2 100745144 GGHICGWVZFRCPF-GHMZBOCLSA-N 249.310 2.452 0 40 BEAB OCCOc1ccc(F)c(C(F)(F)F)c1 114156112 XFFRWTLSTDFEDL-UHFFFAOYSA-N 224.153 2.216 0 40 BEAB Cc1ccc([C@@H](C)NN)cc1Br 161804070 KGCHJOBQPMACEF-SSDOTTSWSA-N 229.121 2.282 0 40 BEAB C[C@H]1O[C@H](CCN)C[C@@H]1Cc1ccccc1 225750437 SKEWEKXQTREGSI-KWCYVHTRSA-N 219.328 2.372 0 40 BEAB CCCn1cc(NCc2c(C)cnn2CC)cn1 256049600 APLLRCSHRWTMBS-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCN[C@@H](C)C(=O)c1cccc(C)c1C 299817222 MXBQQSYOKGUCTH-NSHDSACASA-N 205.301 2.484 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CC[C@@]12CCC[C@H](N)C2 606301460 DIIOWUSIKPFWQZ-GXFFZTMASA-N 240.347 2.267 0 40 BEAB COc1nc2cc(C)ccc2cc1C=O 269847 LBIQZUVODDEHLU-UHFFFAOYSA-N 201.225 2.364 0 40 BEAB O=Cc1nc(-c2ccco2)n2ccccc12 1237972 GFKHSYRTJSAEOU-UHFFFAOYSA-N 212.208 2.407 0 40 BEAB in-vitro C/C=C/C=C1\C=Cc2c(C(=O)OC)coc(=O)c21 1531581 RFUJEBHESHKXKW-PRKJJMSOSA-N 244.246 2.413 0 40 BEAB in-vitro CSC1=N[C@]2(C[C@H]2c2ccccc2)C(=O)N1C 1658334 UFKUQROJBMEUTQ-GWCFXTLKSA-N 246.335 2.104 0 40 BEAB Cc1ccccc1-n1nnc2ccccc2c1=O 1726374 RBTFIVXDSANAAI-UHFFFAOYSA-N 237.262 2.089 0 40 BEAB O=C(Nc1ncccn1)c1cc2ccccc2o1 3117571 QCOXXRCLQYPPPY-UHFFFAOYSA-N 239.234 2.475 0 40 BEAB Cc1ccc(NCc2nnc(S)o2)cc1 3881273 GVTXJRGATYNVHY-UHFFFAOYSA-N 221.285 2.279 0 40 BEAB O=C(O)c1cccnc1SCc1ccncc1 3913729 WQBWIIZVSAFRJE-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB CNC(=O)Nc1cn(CCOC)c2ccccc12 5266316 BLHJPXWLZCATMT-UHFFFAOYSA-N 247.298 2.039 0 40 BEAB COc1cc(SC)c(SC)n1C 6452534 GICFFUNXLJMSLF-UHFFFAOYSA-N 203.332 2.478 0 40 BEAB CCc1ccccc1NC(=S)NCCOC 7561181 NMAHSJMEANNVNW-UHFFFAOYSA-N 238.356 2.182 0 40 BEAB COc1cccc(-c2nc(CO)cs2)c1 12900904 CFGRVZSVVDYQPW-UHFFFAOYSA-N 221.281 2.311 0 40 BEAB NC1(c2ccc3c(c2)OCO3)CCCC1 13564837 KNQJIEORLQNWNY-UHFFFAOYSA-N 205.257 2.143 0 40 BEAB CC12CN3CC(C)(CN(C1)C3c1ccccn1)C2 19325198 KNHVIZFGHXGFFK-UHFFFAOYSA-N 243.354 2.128 0 40 BEAB CC(C)c1ccc(N2C[C@@H](CN)OC2=O)cc1 19669074 VXJQJZUNTZCMJN-GFCCVEGCSA-N 234.299 2.094 0 40 BEAB Cc1nnc(SCCCCC(=O)O)s1 20427294 ZMRBFEIZFDJNDB-UHFFFAOYSA-N 232.330 2.194 0 40 BEAB CCC[C@@H](O)c1nc2ccccc2n1C 20897542 LVPMAHNONVBCSE-LLVKDONJSA-N 204.273 2.407 0 40 BEAB CC(C)N(C)C(=O)c1ccc(Cl)c(N)c1 22213371 IZXLPZMCTPDTLQ-UHFFFAOYSA-N 226.707 2.403 0 40 BEAB in-vitro OCC[C@@H]1CCCCN1Cc1ccsc1 23115051 VBRRRWYYODKMGW-LBPRGKRZSA-N 225.357 2.485 0 40 BEAB O=C(CCc1ccsc1)NCc1ccccn1 25132874 WKXIVVYKWXMLGI-UHFFFAOYSA-N 246.335 2.392 0 40 BEAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1 32012607 MCDIIVJZXXFTDP-KWQFWETISA-N 211.692 2.389 0 40 BEAB in-vitro CCC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 34099913 HNUHHZOYMFQNQV-SECBINFHSA-N 227.304 2.365 0 40 BEAB O=C(O)[C@H](c1cccc(F)c1)N1CCCCC1 37362002 PQKALXNDKBITMO-LBPRGKRZSA-N 237.274 2.437 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 37380870 XRVPPNOXFATEAL-DTWKUNHWSA-N 228.194 2.476 0 40 BEAB Cc1cc(NC(=O)[C@H]2CC=CCC2)no1 40462809 AXDYZJBCDDBNHB-VIFPVBQESA-N 206.245 2.278 0 40 BEAB CNc1ccc(NC(=O)NCc2ccco2)cn1 40549221 KUEWPYNFLPQZEN-UHFFFAOYSA-N 246.270 2.038 0 40 BEAB C[C@@](CCc1ccccc1)(C(=O)O)n1ccnc1 41892597 OGKZNTFJBPODOU-CQSZACIVSA-N 244.294 2.316 0 40 BEAB Fc1ccc(COC[C@H]2CCCNC2)c(F)c1 42782976 KFYNKGMGLFUPSP-JTQLQIEISA-N 241.281 2.481 0 40 BEAB O=C(c1ccc(C2OCCO2)cc1)C1CC1 43212698 KJOJOJACFMQMRT-UHFFFAOYSA-N 218.252 2.325 0 40 BEAB CCn1cc(-c2cccc(C(=O)O)c2)cn1 43462451 SDVPGXIDVTVSFM-UHFFFAOYSA-N 216.240 2.268 0 40 BEAB Cc1ccc(CNC(=O)N2CCCC2)s1 45679539 IRHUOTMQZBCYHN-UHFFFAOYSA-N 224.329 2.362 0 40 BEAB CCn1cnc2nc(Cl)nc(Cl)c21 45955410 OXRKNOIREWJPSD-UHFFFAOYSA-N 217.059 2.153 0 40 BEAB CCC(CC)NC(=O)[C@@H]1Cc2ccccc2O1 57563248 LQMNDCKTHVSBKD-ZDUSSCGKSA-N 233.311 2.295 0 40 BEAB C[C@@H]1CCCCN1c1ccc(N)cc1C(=O)O 58013956 YILAZDUANQYWIV-SECBINFHSA-N 234.299 2.346 0 40 BEAB Fc1ccc(Br)c2c1CNCC2 70652876 VEFJLANOEZRMJY-UHFFFAOYSA-N 230.080 2.234 0 40 BEAB in-vitro CC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 72283669 JKORQXZZEVRKKJ-UHFFFAOYSA-N 246.310 2.156 0 40 BEAB O=C1NCc2cc(Br)ccc2O1 72338658 GUBFXJAFQXKEIT-UHFFFAOYSA-N 228.045 2.051 0 40 BEAB NC(=S)c1ncc(Cl)cc1Cl 83344907 HMRMDTOJLNOIJE-UHFFFAOYSA-N 207.085 2.023 0 40 BEAB CC(C)[C@@H]1[C@H](O)CCN1C(=O)OC(C)(C)C 84249951 JZWRCXLLTHEQOW-NXEZZACHSA-N 229.320 2.013 0 40 BEAB CSC[C@@H](C)CNc1ncnc2ncccc12 95973316 BIIQRIHCKCUNGB-VIFPVBQESA-N 248.355 2.436 0 40 BEAB Nc1cc(C(F)(F)F)ccc1OC1COC1 96526650 NQRLTKHGUACMTM-UHFFFAOYSA-N 233.189 2.065 0 40 BEAB CS(=O)(=O)c1cc[nH]c1-c1ccc(F)cc1 96532681 LHKXTJRKXZVOPA-UHFFFAOYSA-N 239.271 2.224 0 40 BEAB Cc1ccc(O)c(CN[C@@H]2CCCSC2)n1 98018519 RLDMBGUYOJELSQ-SNVBAGLBSA-N 238.356 2.081 0 40 BEAB CS[C@@H]1CCC[C@H]1N(C)Cc1ccno1 110646540 QDLCEWFDBKAZHQ-GHMZBOCLSA-N 226.345 2.391 0 40 BEAB COc1cc(N2C[C@H]3CCCC[C@H]3C2)ncn1 133490736 UXBJTBMXYCNBTF-PHIMTYICSA-N 233.315 2.112 0 40 BEAB O=C(Nc1cnc2ccnn2c1)[C@H]1CC=CCC1 225574075 KQJMVVUMSODGFA-JTQLQIEISA-N 242.282 2.024 0 40 BEAB CC(C)[C@H](N)CN1CC[C@@H]2CCCC[C@H]2C1 252470050 SNFUJVJQOTZTSH-MELADBBJSA-N 224.392 2.482 0 40 BEAB FCCn1ccc(CNCCc2ccccc2)n1 256049753 BGZZMZXMWMDGGS-UHFFFAOYSA-N 247.317 2.185 0 40 BEAB CCS(=O)(=O)Nc1c(C)cccc1C 482851 RBUUABRZFRBKPX-UHFFFAOYSA-N 213.302 2.065 0 40 BEAB CC1(CCC(=O)OC2CCCCC2)OCCO1 1684786 PDWWQBMZXPPOMZ-UHFFFAOYSA-N 242.315 2.406 0 40 BEAB in-vitro Brc1ccccc1CC1OCCO1 2529046 YWFSTIQYCXISNY-UHFFFAOYSA-N 243.100 2.365 0 40 BEAB CC(=O)NCc1ccc(-c2csc(N)n2)cc1 3440393 HUMWJQXFZYEKTO-UHFFFAOYSA-N 247.323 2.028 0 40 BEAB in-vitro C[C@@H](Sc1nc2ccccc2s1)C(N)=O 3503926 JRRQJZJBWNDOKI-ZCFIWIBFSA-N 238.337 2.262 0 40 BEAB O=C(O)c1cccc(OCc2cscn2)c1 4219148 IMILYUBILRHRBV-UHFFFAOYSA-N 235.264 2.420 0 40 BEAB NNc1ncnc2sc3c(c12)CCCCC3 4863320 LZEOQQZABRMORS-UHFFFAOYSA-N 234.328 2.246 0 40 BEAB CCc1ccc(OC)c(C(=O)CCC(=O)O)c1 4943450 FZOZVWFLPNIHSW-UHFFFAOYSA-N 236.267 2.305 0 40 BEAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](C)CN1 5722290 FKYVJLAHWSGDPJ-NQBHXWOUSA-N 233.311 2.230 0 40 BEAB Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 6502116 AHIHFHUBNZUXDC-STQMWFEESA-N 248.326 2.420 0 40 BEAB CCOC(=O)c1c[nH]nc1-c1cccc(OC)c1 8700520 NILJQJNRFPFBPT-UHFFFAOYSA-N 246.266 2.262 0 40 BEAB c1cnc2c(OC3CCNCC3)cccc2c1 14631958 LGDKBYDHESZENH-UHFFFAOYSA-N 228.295 2.366 0 40 BEAB COc1ccccc1-c1cncc(C(=O)O)c1 16946009 FHOPLKRRJJNPKZ-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CC(C)N1CCC(NCC(F)(F)F)CC1 19518078 GPJBOOQTXGRQJJ-UHFFFAOYSA-N 224.270 2.011 0 40 BEAB Nc1ccc(F)c(NC(=O)c2ccncc2)c1 21957064 GDHSBAWGZKVENW-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCCCc1c(C)nc(N2CCCCC2)[nH]c1=O 22449142 UQZUXRDOALPQEP-UHFFFAOYSA-N 249.358 2.411 0 40 BEAB CCCNC(=O)[C@H](C)Sc1ccccn1 32774308 RCZNMQZWFGFFLV-VIFPVBQESA-N 224.329 2.088 0 40 BEAB O=C(O)[C@@]1(c2cccnc2)CCCCS1 34217647 WBPLDMSATBXJTE-NSHDSACASA-N 223.297 2.279 0 40 BEAB CC(C)[C@@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810208 SNFUJVJQOTZTSH-MJBXVCDLSA-N 224.392 2.482 0 40 BEAB O=C(c1ccc(F)cc1)N1CCSCC1 37506169 OBSYQTZWRNREAX-UHFFFAOYSA-N 225.288 2.015 0 40 BEAB O=C(O)c1sc(N2CCCC2)nc1Cl 38342374 YJRIYDOSYHXLGZ-UHFFFAOYSA-N 232.692 2.095 0 40 BEAB COCCSc1ccc(-c2cccnc2)nn1 38486255 MUXBIVWWURVCPK-UHFFFAOYSA-N 247.323 2.277 0 40 BEAB CCC[C@@H](C)NC(=O)Nc1nccs1 40490184 FZUYNDXQOIUDGE-SSDOTTSWSA-N 213.306 2.453 0 40 BEAB CC[C@H]1CCCCN1C(=O)Nc1nncs1 43130607 SGZWMNPWFYAFAH-QMMMGPOBSA-N 240.332 2.335 0 40 BEAB c1ccc(-c2nccn2C2CCNCC2)cc1 43501221 MQCFDCBQBNZUPP-UHFFFAOYSA-N 227.311 2.475 0 40 BEAB CN(C[C@H]1CCCO1)C(=O)NCc1ccccc1 44980020 NUOOFAPAKAJCSM-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB O=C(CCCOc1ccccc1)NC1CC1 48089520 ZMLPLKHKVCHWEU-UHFFFAOYSA-N 219.284 2.124 0 40 BEAB CC(C)NC(=O)N1CCC[C@H]1c1ccccn1 48922597 SMMATNCUTLANGJ-LBPRGKRZSA-N 233.315 2.337 0 40 BEAB Fc1ccccc1[C@@H]1NCCn2cccc21 56894651 RCGRCTXPSVQZEH-ZDUSSCGKSA-N 216.259 2.320 0 40 BEAB CCCNC(=O)N(C)Cc1ccccc1OC 60478902 YLYXJYHRMUNEEA-UHFFFAOYSA-N 236.315 2.247 0 40 BEAB N[C@]1(C(=O)O)C[C@H]1c1ccc(Cl)cc1Cl 62712940 VINHNAHFYVPZRL-OIBJUYFYSA-N 246.093 2.263 0 40 BEAB CC[C@@]1(C(=O)OC(C)(C)C)CCCNC1 62870910 LVSWDCOLFFGHDR-GFCCVEGCSA-N 213.321 2.108 0 40 BEAB CC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 64554722 DUHCXFUXSHPGEW-ZETCQYMHSA-N 225.675 2.474 0 40 BEAB c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 70131298 DAPALCXWAIUWGM-SNVBAGLBSA-N 215.256 2.161 0 40 BEAB Cn1nccc1-c1cc(CO)c2ccccc2n1 72339615 SYRIYIPHYDBCMQ-UHFFFAOYSA-N 239.278 2.128 0 40 BEAB CCCNC(=O)NCc1cccc(C)c1 74344330 YOAWRVHWFSUKMV-UHFFFAOYSA-N 206.289 2.204 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cscn2)CC1 78482921 ORSJIQSXTAJDMZ-SECBINFHSA-N 224.329 2.405 0 40 BEAB Clc1ccc2c3c([nH]c2c1)CCNC3 82594118 VEAXCVXMSWACNH-UHFFFAOYSA-N 206.676 2.467 0 40 BEAB COc1cc(/C=C/C(=O)O)cc(OC)c1C 83259905 HFBKCTZWQIYVTL-SNAWJCMRSA-N 222.240 2.110 0 40 BEAB CO[C@H](C)c1nc(-c2cnn(C)c2)cs1 89913605 BKIYYZHOKOPFGZ-SSDOTTSWSA-N 223.301 2.251 0 40 BEAB CCCN(CCC)CCSC[C@@H](C)CO 96010434 OIGBNZZLMQQDSA-LBPRGKRZSA-N 233.421 2.470 0 40 BEAB COC[C@H](NC1CCSCC1)c1ccco1 96478924 OLUBCVSXOXELPQ-NSHDSACASA-N 241.356 2.452 0 40 BEAB Cc1cc(F)cc(C(=O)OCc2cnccn2)c1 97010625 XQZAQPRDZRYACB-UHFFFAOYSA-N 246.241 2.281 0 40 BEAB O[C@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)n1 97104628 FTIWTPOIIIKYGM-SFYZADRCSA-N 246.232 2.426 0 40 BEAB C[C@H](c1ccncc1)N(C)Cc1csnn1 97113686 PYEGVRTWCXSPHJ-SECBINFHSA-N 234.328 2.126 0 40 BEAB C[C@@H]1CCC[C@H](OCC(=O)Nc2cnccn2)C1 97379897 ZECMPNSYZKPSBB-MNOVXSKESA-N 249.314 2.010 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCSC1 98018508 AEVCVARKGWXBSM-MRVPVSSYSA-N 217.334 2.407 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1 105129547 CKARRUSXYUSTBY-NHCYSSNCSA-N 246.310 2.465 0 40 BEAB CC1CCN(c2ncccc2C=O)CC1 107373119 DSINBVOVZHCXAE-UHFFFAOYSA-N 204.273 2.130 0 40 BEAB Cc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)o1 119160414 UNGUCYBEACYRKC-HUUCEWRRSA-N 243.306 2.336 0 40 BEAB c1ccc2c(c1)ncn2C[C@H]1CCOC1 168527776 GXIRPYOMAURXFS-SNVBAGLBSA-N 202.257 2.073 0 40 BEAB N#Cc1cc[n+]([O-])c2ccc(Br)cc12 196636866 IVLMKWXXXCRFGC-UHFFFAOYSA-N 249.067 2.107 0 40 BEAB CC(C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]2CCC[C@@H]12 257243363 IGPKVUXQMXANHL-NNYUYHANSA-N 225.332 2.105 0 40 BEAB O=C(C1CCCC1)N1CC[C@@H](OCC2CC2)C1 390832222 YCHAFTZUHHCURX-CYBMUJFWSA-N 237.343 2.204 0 40 BEAB C[C@@H]1Cc2c(ccc(Br)c2N)O1 642882567 NGOJDORORFSNDJ-RXMQYKEDSA-N 228.089 2.355 0 40 BEAB FC(F)(F)c1ccc2nnc(Cl)n2c1 675067591 KLEPJHCKCSPKBZ-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB NC[C@](O)(c1ccsc1)c1cccs1 1775974772 PMGPBEKSXUWQFD-JTQLQIEISA-N 225.338 2.004 0 40 BEAB CC(C)[C@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 345788 ISECDCWBPMVGJG-NWDGAFQWSA-N 247.294 2.213 0 40 BEAB CC(C)Cc1ccc([C@H](N)CC(=O)O)cc1 537177 XGEJDTHTIFGUEZ-GFCCVEGCSA-N 221.300 2.360 0 40 BEAB biogenic C=CS(=O)(=O)c1ccc(Cl)cc1 1734886 IBJGVAOFRSKZPY-UHFFFAOYSA-N 202.662 2.257 0 40 BEAB Cc1nc(-c2ccccc2)nc2c1CCO2 1744237 VPVBPIOCXZQYRT-UHFFFAOYSA-N 212.252 2.387 0 40 BEAB CCCC[C@H](COC(=O)CC)OC(=O)CC 2045239 PMTGPGHLCICNLJ-SNVBAGLBSA-N 230.304 2.452 0 40 BEAB COc1cccc(CNCc2cnn(C)c2C)c1 2536060 DOIGLEDGSZZSKN-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB c1cnc2c(c1)N[C@@H](c1ccc3c(c1)OCO3)N2 5583033 GSKFJRQCTMNMBE-GFCCVEGCSA-N 241.250 2.347 0 40 BEAB C[C@H](NC(=O)n1ccnc1)c1ccccc1 6187587 LBUGXHLSGRNSOZ-JTQLQIEISA-N 215.256 2.202 0 40 BEAB in-vitro COc1ccc(NC(=O)C(C)(C)C)c(N)c1 8703566 ZFVBQRNEIQSTOX-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB Cc1cc(NC(=O)CNc2cccc(F)c2)no1 9453843 XTFQLUQTRRPYOF-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB C/C=C/c1cc2c(c(OC)c1OC)OCO2 12362794 OEDZKYGAFWDLGE-SNAWJCMRSA-N 222.240 2.466 0 40 BEAB endogenous,in-man CC[C@@H](CN)n1nc(C)c(Cl)c1C 12398193 RZDSLZVVZSCLAD-QMMMGPOBSA-N 201.701 2.063 0 40 BEAB O=[S@](O)c1cc(Cl)cc(Cl)c1O 12433162 ADJSUQLUCKLDME-UHFFFAOYSA-N 227.068 2.280 0 40 BEAB COc1ccc(C=O)cc1OCc1cccnc1 14001378 PTCKCSITOQANNI-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB Cc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 15324585 OGOZQAKIXDBKNX-MRVPVSSYSA-N 223.301 2.141 0 40 BEAB Clc1cccc(CN2CCCNCC2)c1 19266142 RZYHJJCOSLOYBD-UHFFFAOYSA-N 224.735 2.135 0 40 BEAB CC1CCC(Oc2cc(CN)ccn2)CC1 19276535 BEMYFGFNLBSDKS-UHFFFAOYSA-N 220.316 2.498 0 40 BEAB in-vitro NCc1ccccc1OCc1ccncc1 20352407 BODARPGXTFBVTI-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB C[C@H]1CO[C@H](C)CN1Cc1nc2ccccc2o1 32804203 CINYJUGTPIFJQO-WDEREUQCSA-N 246.310 2.437 0 40 BEAB COC(=O)C(C)(C)NCc1cccc(C)c1 37085258 MZZVGZDGVYUXLG-UHFFFAOYSA-N 221.300 2.036 0 40 BEAB CCCCCNc1cccc(-c2nnn[nH]2)c1 37102005 CVXKDXLZCIFNBL-UHFFFAOYSA-N 231.303 2.469 0 40 BEAB FC(F)(F)CN1CCNc2ccccc21 37654315 LKBTZOXDQGVLSD-UHFFFAOYSA-N 216.206 2.481 0 40 BEAB in-vitro COC(=O)c1cc(F)c(Br)s1 40448515 KYNGYTAEUYSZEE-UHFFFAOYSA-N 239.065 2.436 0 40 BEAB CC1CCN(Cc2cccc(OCCN)c2)CC1 41301968 GSCBZEXYMOUSKB-UHFFFAOYSA-N 248.370 2.256 0 40 BEAB C[C@@H]1CCC[C@@H](CNC(=O)c2cnns2)C1 55487938 PPACRXZTFOLJFZ-RKDXNWHRSA-N 239.344 2.094 0 40 BEAB O=C1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 58037929 NFJXWSGDBZJYSN-ZIAGYGMSSA-N 229.323 2.488 0 40 BEAB in-vitro CN(C)S(=O)(=O)c1csc2ccccc12 71766570 SWJOMARNCSDQBN-UHFFFAOYSA-N 241.337 2.152 0 40 BEAB CC(=O)N1CCC(c2cc3cccnc3[nH]2)CC1 72351228 GLNKMSGMUJBYJK-UHFFFAOYSA-N 243.310 2.289 0 40 BEAB Cc1cnc(CN2CC(C)(C)C2(C)C)cn1 79475486 CDLZGQMGOCSLAX-UHFFFAOYSA-N 219.332 2.405 0 40 BEAB O=c1[nH]c([C@@H]2CCCS2)nc2ccccc12 84585316 PNQIIYCIGUJMEB-JTQLQIEISA-N 232.308 2.491 0 40 BEAB CC(C)OCCCNC(=O)CC1CCCC1 84621892 BPEVGSCDRSXDQJ-UHFFFAOYSA-N 227.348 2.498 0 40 BEAB C[C@H](NC[C@@H](C)[S@](C)=O)c1ccsc1 90843535 GNFDVHUPGDNODP-TVLCNXBWSA-N 231.386 2.166 0 40 BEAB C[C@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 95093768 JVNQIVFIOMMCFT-SNPRPXQTSA-N 230.355 2.116 0 40 BEAB O=C1Nc2ccc(Cl)cc2C1(F)F 95774127 PTVMNQPXBPQJJQ-UHFFFAOYSA-N 203.575 2.384 0 40 BEAB Cc1noc(NCc2ccc(F)cc2C)n1 97045277 RKZIWENCUCRLOV-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB COc1ccc(C)nc1NC(=O)NC1(C)CCC1 97378621 SEICBJGPRWVMOL-UHFFFAOYSA-N 249.314 2.463 0 40 BEAB O[C@H]1CC[C@H](NCc2ccc(F)cc2)CC1 100173851 CEKDSILVRRSOTF-BETUJISGSA-N 223.291 2.219 0 40 BEAB CCCc1nc([C@H]2CCCCCN2)no1 159522493 MOKODIYQKLXQED-SECBINFHSA-N 209.293 2.227 0 40 BEAB COC[C@@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 195550390 RKKDJOJSSLBGMY-IJLUTSLNSA-N 239.359 2.376 0 40 BEAB C[C@H]1Cc2c(N)c(F)cc(Cl)c2O1 218697498 IZSMEJHXQVDCAQ-BYPYZUCNSA-N 201.628 2.385 0 40 BEAB CCOc1cc(Cl)cc(C(=O)O)c1O 225281302 FCFRLILTGPJGCH-UHFFFAOYSA-N 216.620 2.143 0 40 BEAB CCc1nc2cc(Cl)c(C(=O)O)cc2[nH]1 225728708 UFIBFZLFPZVSFP-UHFFFAOYSA-N 224.647 2.477 0 40 BEAB CC(C)Nc1cccc(C[C@H]2CCN(C)C2)n1 299843207 OGXXAZOJPVXSPB-GFCCVEGCSA-N 233.359 2.396 0 40 BEAB CO[C@](C)(CSc1cnn[nH]1)c1ccccc1 521395047 YPUDZLYYVOVIBW-GFCCVEGCSA-N 249.339 2.459 0 40 BEAB COC(=O)CC(=O)n1ccc2cc(C)ccc21 521395896 RORQESFPQVAMDI-UHFFFAOYSA-N 231.251 2.153 0 40 BEAB Cc1cnc(CNC2(C)Cc3ccccc3C2)[nH]1 657423683 LJYGTDUIZCYWTI-UHFFFAOYSA-N 241.338 2.365 0 40 BEAB FC[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 882842335 SXZGEECLXJEUNV-ZETCQYMHSA-N 249.211 2.291 0 40 BEAB CC1(C)C[C@@H]1C(=O)N1CC(Cc2ccoc2)C1 890572147 VRQWIZFUVDWVMZ-GFCCVEGCSA-N 233.311 2.327 0 40 BEAB OCC[C@@H](c1ccccc1)[C@H]1CCCCN1 1720360 ORLHWXNQUUVXDC-UONOGXRCSA-N 219.328 2.295 0 40 BEAB COP(=O)(OC)[C@@H](O)c1ccccc1 2045556 OECCEFXMNQKERN-SECBINFHSA-N 216.173 2.163 0 40 BEAB C[C@@H]1CN(C(=O)CC2CCCC2)C[C@@H](C)O1 3258468 NPSIAOPIMUGOAK-GHMZBOCLSA-N 225.332 2.203 0 40 BEAB CSc1nnc2ccc(-c3ccco3)nn12 4376747 JAOYWZRZXLPDIR-UHFFFAOYSA-N 232.268 2.106 0 40 BEAB O=C(Cc1cccs1)N1CCCCC1 5677537 OPYZHIGDNFCZOF-UHFFFAOYSA-N 209.314 2.303 0 40 BEAB CCN(CC)C(=O)NCc1ccc(F)cc1 6462683 LOQACNAQFXSCSL-UHFFFAOYSA-N 224.279 2.377 0 40 BEAB CC(=O)c1c(C)[nH]c(C(=O)OC(C)C)c1C 9583476 BEPPMWOQIDNRPJ-UHFFFAOYSA-N 223.272 2.399 0 40 BEAB Cc1nc2n(C)c3ccccc3[n+]2c(C)c1C 12341841 GSCYSTAXWOUHAL-UHFFFAOYSA-N 226.303 2.237 0 40 BEAB Cc1cc(N)nn1-c1ccc(C(F)(F)F)cn1 12398230 TWPCUBGVEVNXBI-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB Cc1cc(C)c2cc(N)c(Cl)nc2n1 13221091 YJMNVBGDJPYKLK-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB Nc1ccc(OCc2ccccn2)c(F)c1 20352212 HNQBCXSDSXMOQC-UHFFFAOYSA-N 218.231 2.382 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2nncs2)c(C)c1 21214092 XDBOARUFYJHNQH-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C1CC[C@H](CCC[C@H]2CCCCN2)NC1 21301331 PBAFFSHKOMYWPA-CHWSQXEVSA-N 210.365 2.441 0 40 BEAB C[C@H](C1CC1)n1ncc2cc(C(=O)O)cnc21 21968289 VWZIPYZDJWDKQC-SSDOTTSWSA-N 231.255 2.101 0 40 BEAB in-vitro CCOc1ncccc1C(=O)N1CCCC[C@@H]1C 32666376 VWMRHMLEURBXGZ-NSHDSACASA-N 248.326 2.495 0 40 BEAB Fc1cc(F)cc(-c2nnc(S)[nH]2)c1 34977893 YZMMFUSWTTWUSF-UHFFFAOYSA-N 213.212 2.039 0 40 BEAB Cc1n[nH]cc1CNc1ccccc1F 36901516 PPJRDGIYQROBCH-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB O=C(O)[C@@H](c1ccc(F)c(F)c1)N1CCCC1 37360202 NTEGXJKSSLVWQI-LLVKDONJSA-N 241.237 2.186 0 40 BEAB CCOc1ccccc1[C@@H](CN)N(CC)CC 38827633 HDEUOENKCSHZMT-CYBMUJFWSA-N 236.359 2.427 0 40 BEAB C1CCC(c2nc([C@H]3CCCNC3)n[nH]2)CC1 41161718 KYUHNIBEFFCDOZ-NSHDSACASA-N 234.347 2.319 0 40 BEAB in-vitro CCc1nccn1-c1ccc(C(=O)O)cc1 42420146 TUBUQPJTMBSJNS-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB CNC(=O)CCCOc1ccc(Cl)cc1 42645604 OPRXVONRNSROBQ-UHFFFAOYSA-N 227.691 2.245 0 40 BEAB Cc1cc(C)n([C@@H](CN)c2ccsc2)n1 43124124 SBHNIUMJEHAIPO-NSHDSACASA-N 221.329 2.110 0 40 BEAB C[C@@H](NC(=O)OCC(F)(F)F)c1ccccn1 44980725 VVTCRTCLEHAXSX-SSDOTTSWSA-N 248.204 2.431 0 40 BEAB Cc1cc(C)n(CCCNC(=O)CC(C)C)n1 46866772 HHPJKSGSAPBHQY-UHFFFAOYSA-N 237.347 2.052 0 40 BEAB CNC(=O)c1cc2cc(Cl)ccc2o1 47836128 GWAUOLMERGRBPK-UHFFFAOYSA-N 209.632 2.446 0 40 BEAB Fc1ccc(NCCc2nccs2)nc1 63134518 REBDQMYRAVSAJG-UHFFFAOYSA-N 223.276 2.332 0 40 BEAB O=c1[nH]ncc(NCC2CCCCC2)c1Cl 69561126 VBUHBWAZNZGQCU-UHFFFAOYSA-N 241.722 2.416 0 40 BEAB CN1CCC[C@H]1c1ccc(NC2CC2)nc1 72213764 MGBUQNKEGUXJQF-LBPRGKRZSA-N 217.316 2.423 0 40 BEAB Cc1nc(NCc2ccccc2)ccc1CN 72224406 MQHRZZWMVLRESC-UHFFFAOYSA-N 227.311 2.461 0 40 BEAB CCOC(=O)CCc1cc2ccccc2oc1=O 72226397 WSTZZZDMPWSNHJ-UHFFFAOYSA-N 246.262 2.289 0 40 BEAB Cc1cncnc1[C@@H]1CCCN(CC2CC2)C1 72361347 CLSYORIRJMMJNO-CYBMUJFWSA-N 231.343 2.374 0 40 BEAB COCCC(=O)Nc1cc(Cl)c(Cl)cn1 72530137 FCRLEZCNVDPCBM-UHFFFAOYSA-N 249.097 2.363 0 40 BEAB Cc1ccc(-c2nc(C)c(C(=O)O)n2O)cc1 75394497 SVGGQRSLRDKKAT-UHFFFAOYSA-N 232.239 2.102 0 40 BEAB CCOc1ccccc1NC(=O)c1cnco1 82326001 RKRDRDKKTDVTBC-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB c1ccc2c([C@H]3CCCCN3)n[nH]c2c1 82913034 VIXYXOPKDKPUFU-LLVKDONJSA-N 201.273 2.378 0 40 BEAB Clc1nnc(Cl)c2scnc12 84312567 SDQRRNVFGWTOKK-UHFFFAOYSA-N 206.057 2.393 0 40 BEAB CCC[C@H](C(=O)NC[C@H](C)CO)c1ccccc1 84740466 AKHXAOLGUIZODA-JSGCOSHPSA-N 249.354 2.315 0 40 BEAB COC[C@@H](NC1CCOCC1)c1ccccc1 89668681 UFZZQHUSVSINFP-CQSZACIVSA-N 235.327 2.143 0 40 BEAB CC(=O)Nc1ccc(-c2nccc(C)n2)cc1 89701914 HGFUFELBTIXRHP-UHFFFAOYSA-N 227.267 2.410 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C)n1 95410698 XQMSLJCPUKNHFK-VXGBXAGGSA-N 217.316 2.330 0 40 BEAB CSc1nccc(-c2sc(N)nc2C)n1 95629769 DODMZKOBDCMMOG-UHFFFAOYSA-N 238.341 2.213 0 40 BEAB COc1cc(Br)nc2c1NCCC2 95828825 RVCPVTWTSWNMPV-UHFFFAOYSA-N 243.104 2.211 0 40 BEAB Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)N)cc1 95971007 OGSJAOWCZSVGIW-WCQYABFASA-N 232.327 2.006 0 40 BEAB N[C@H]1CCN(CCCC2CCCCC2)C1 96523513 KDDMXPVXTDQVRK-ZDUSSCGKSA-N 210.365 2.380 0 40 BEAB CC[C@](C)(CO)CNCc1cc(F)cc(F)c1 97021711 SXIHLTBBCCNHDD-ZDUSSCGKSA-N 243.297 2.463 0 40 BEAB CCSCCOc1cccc(CO)c1 97046853 YVRRCIVWHRQCDT-UHFFFAOYSA-N 212.314 2.311 0 40 BEAB CCc1oc(C(=O)N[C@@](C)(CC)CO)cc1C 97081761 YMUJRBMLIVMFJE-ZDUSSCGKSA-N 239.315 2.041 0 40 BEAB COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccco1)C2 97084943 BKOGVIJRUSKVKY-RISCZKNCSA-N 249.310 2.055 0 40 BEAB O=C(OCc1ccccc1)N1CCC2(COC2)C1 97758889 GBFOOYUUIJXKCF-UHFFFAOYSA-N 247.294 2.046 0 40 BEAB O=C1[C@H]2CC[C@H]1Cc1cc(O)ccc1C2 100433338 JZHXIHHXODNANH-UWVGGRQHSA-N 202.253 2.086 0 40 BEAB Cc1nc(-c2ccc(F)cc2)c(N)n1C 100761179 SEYIRBHFGKGOFS-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB N[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@]12c1ccccc1 103275835 OPWWFTVBORMGFH-QKMFKKAWSA-N 237.346 2.413 0 40 BEAB CCCOC1CCN(c2nc(N)cs2)CC1 103694642 PBJSHBXDAKALDM-UHFFFAOYSA-N 241.360 2.121 0 40 BEAB Nc1cccc(-n2cnc(Br)c2)c1 147778819 NVBKVMBHTWJYTN-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CSc1ccc(-n2cc([C@@H](C)O)nn2)cc1 163362626 MKZBPGRIYJUJCG-MRVPVSSYSA-N 235.312 2.043 0 40 BEAB O=C1OCC(O)=C1c1ccccc1Cl 169502996 VJMDFARPIKAFRO-UHFFFAOYSA-N 210.616 2.166 0 40 BEAB O=C(O[C@H]1CCc2cccnc21)c1cscn1 195579213 ODIAYZQHCIIEFC-JTQLQIEISA-N 246.291 2.382 0 40 BEAB CC(C)CNCc1cc(C(F)(F)F)nn1C 256049714 BBXMXRGAFIHECE-UHFFFAOYSA-N 235.253 2.185 0 40 BEAB Cc1cn(C(C)C)nc1NCc1cnn(C)c1C 256050552 FMCJFDMPJWBRKI-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB C=Cc1ccc(C(=O)CCC(=O)OC)cc1 382698200 MHVIYEJAYUVOBF-UHFFFAOYSA-N 218.252 2.466 0 40 BEAB Cc1nc(Br)cc(C=O)c1F 1772715866 CVOLGUUQCZPYOE-UHFFFAOYSA-N 218.025 2.104 0 40 BEAB COc1cc(Cl)c(Cl)c(NN)c1 1857793671 BCBAEXPRJMBEHS-UHFFFAOYSA-N 207.060 2.288 0 40 BEAB CC(C)CCOC(=O)[C@H]1CCCC[C@H]1O 506679 NEGXKXUAVASAAB-WDEREUQCSA-N 214.305 2.127 0 40 BEAB CO[C@@H](CC(=O)O)c1nc2ccccc2s1 529317 PWLPZAGOMVPORD-QMMMGPOBSA-N 237.280 2.459 0 40 BEAB CC1=NN(c2ccc(C(F)(F)F)cn2)C(=O)C1 711856 QFZNPPLSJURITG-UHFFFAOYSA-N 243.188 2.213 0 40 BEAB CC(=O)NC(=S)Nc1cccc(Cl)c1C 1003711 BVTLZCVREPTQPY-UHFFFAOYSA-N 242.731 2.481 0 40 BEAB C[C@H]1[C@@H](O)CCN(C)[C@@H]1c1ccccc1 1233053 VPGJNXCGHFUNEJ-DRZSPHRISA-N 205.301 2.060 0 40 BEAB Clc1cccc2nncc(N3CC3)c12 1695551 GBGPGFZJKAMPBV-UHFFFAOYSA-N 205.648 2.103 0 40 BEAB CCCCC[C@](CC)(SCC(N)=O)C(=O)O 1752274 HTPOHJSDVTVWGW-NSHDSACASA-N 247.360 2.019 0 40 BEAB COC(=O)c1ccccc1NC(=O)C(C)(C)C 2166883 TWDCYCSGTBPHFH-UHFFFAOYSA-N 235.283 2.458 0 40 BEAB CCCCNS(=O)(=O)c1ccc(C)c(C)c1 3366228 FYUJTTTZNLOWBE-UHFFFAOYSA-N 241.356 2.382 0 40 BEAB CC[C@@H](C)c1cc(N)cc(C(=O)O)c1O 5333300 ITEFJXIHOVSOSR-ZCFIWIBFSA-N 209.245 2.186 0 40 BEAB O=Cc1ccc(OCCCN2CCCC2)cc1 8731477 JCSYPJCZYHQVKN-UHFFFAOYSA-N 233.311 2.364 0 40 BEAB CCn1c(NC(=O)C2CC2)nc2ccccc21 10651416 FCAMRXVXMWOCSL-UHFFFAOYSA-N 229.283 2.405 0 40 BEAB C[C@@H](C(=O)Nc1ccccc1)N1CCCC1 12976163 CNGDDPOWECEJNI-NSHDSACASA-N 218.300 2.109 0 40 BEAB C[C@H]1CN[C@H](C)C[C@H]1OC(=O)c1ccccc1 15084504 FKYVJLAHWSGDPJ-DMDPSCGWSA-N 233.311 2.230 0 40 BEAB CC(C)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19900075 ZUYPESQMYNAILG-ILXRZTDVSA-N 234.387 2.225 0 40 BEAB CN[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 20283634 ZBQMTJZQSAUXMK-VHSXEESVSA-N 232.110 2.171 0 40 BEAB in-vitro CC(C)[C@H](CNC(=O)Nc1ccccc1)N(C)C 24830458 MWKXLBOQIGWIIJ-ZDUSSCGKSA-N 249.358 2.394 0 40 BEAB Cc1ccc(-n2ncc(C(=O)O)c2C)c(C)c1 37295379 KZQSTFHDRZXJJI-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 37380864 XRVPPNOXFATEAL-IUCAKERBSA-N 228.194 2.476 0 40 BEAB Cn1c2c(c3ccccc31)[C@@H](C(=O)O)CC2 39169658 DLGOJRXNFKWZKQ-VIFPVBQESA-N 215.252 2.293 0 40 BEAB COC(=O)c1cc(N)ccc1NCc1ccco1 41079773 SKBFAEBURMYADH-UHFFFAOYSA-N 246.266 2.261 0 40 BEAB Cc1cc(CNC[C@@H]2CCCCO2)ccc1N 42825453 KDJIWEPGZIOCOW-ZDUSSCGKSA-N 234.343 2.236 0 40 BEAB in-vitro O=C(c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 43878944 BXPBLRRKIQAMIP-WDEREUQCSA-N 218.252 2.370 0 40 BEAB in-vitro CCc1ccc(CNC(=O)NC2CC2)s1 47617264 PAECJCVXKFMQHQ-UHFFFAOYSA-N 224.329 2.272 0 40 BEAB CCc1ccc(Cn2ccc(N)n2)cc1 49961498 FQNTUMBAHYWOHX-UHFFFAOYSA-N 201.273 2.076 0 40 BEAB CCCN(CC[C@H]1CCCNC1)CC1CC1 51919167 WHAIHBHSWKEUPX-CYBMUJFWSA-N 224.392 2.498 0 40 BEAB CN(Cc1ccccc1Cl)[C@@H]1CCOC1=O 58203071 RLRBFGDOIBLOEV-LLVKDONJSA-N 239.702 2.087 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@@H]2[C@H](C)O)c1 62713853 ZEKOAWYKSMNJMM-GDPRMGEGSA-N 222.284 2.188 0 40 BEAB C[C@@H](Cn1cccn1)NCCc1cccs1 65624272 KASMTDPGORKNLW-NSHDSACASA-N 235.356 2.165 0 40 BEAB CNC(=O)c1sc(-c2ccoc2)nc1C 69780432 BUBFLVMXUCBMTG-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB Fc1cccc2c([C@@H]3CCNC3)c[nH]c12 71490324 SUNHDQPYXAYNHT-MRVPVSSYSA-N 204.248 2.384 0 40 BEAB N[C@@H](c1ccccc1)c1ccc(S)nc1 72225683 RCTDFGJXQOWFDH-LBPRGKRZSA-N 216.309 2.418 0 40 BEAB Cc1c[nH]nc1C1CCN(C2CCOCC2)CC1 72357347 OQIVCTUDXRSRBK-UHFFFAOYSA-N 249.358 2.077 0 40 BEAB C[C@@](O)(c1ccc(N)cc1)C(F)(F)F 75846231 HNEGBJXPLNCNQL-MRVPVSSYSA-N 205.179 2.039 0 40 BEAB C[C@@H]1C[C@@H](O)c2c(ccc3ncccc23)O1 85399861 XFENIEXPONKEDM-LDYMZIIASA-N 215.252 2.439 0 40 BEAB Cc1nsc(N2CCc3ccccc3C2)n1 89721407 GACFVUCNXOEPBP-UHFFFAOYSA-N 231.324 2.409 0 40 BEAB CC(C)(C)OC(=O)N1CCOC[C@@H]1C1CC1 89781686 WODPCOWZBSAGOO-SNVBAGLBSA-N 227.304 2.032 0 40 BEAB in-vitro O=C(N1CC[C@H](c2ccccc2)C1)n1ccnc1 89828102 CQQCUQFLASVONI-ZDUSSCGKSA-N 241.294 2.341 0 40 BEAB Cc1oc(-c2ccccc2F)nc1C(=O)N(C)C 95399327 VBOSOVGBXBYPLS-UHFFFAOYSA-N 248.257 2.491 0 40 BEAB CC(=O)c1c(O)n(C)c2ccc(C)cc12 96026248 ODLKCJBQTDJMIG-UHFFFAOYSA-N 203.241 2.395 0 40 BEAB COC[C@@H](C)C(=O)Nc1cccc(C)c1C(C)=O 97103701 JSWVDGIRHZMDOF-SNVBAGLBSA-N 249.310 2.419 0 40 BEAB CCc1ccc(Cn2cc(CCO)cn2)cc1 97375715 USLNOUCGUGCFSW-UHFFFAOYSA-N 230.311 2.029 0 40 BEAB CN(C)CC(C)(C)CN[C@H]1C[C@@H]2CC[C@@H]1C2 100553321 CZHRBWQKUXXMKV-UPJWGTAASA-N 224.392 2.352 0 40 BEAB S=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NC1CC1 107333957 VPJRWJUTEKIDFS-GARJFASQSA-N 238.400 2.439 0 40 BEAB C[C@H](O)CN[C@@H](C)C(C)(C)c1ccc(F)cc1 184828944 AHIOWPRZCABDKA-QWRGUYRKSA-N 239.334 2.462 0 40 BEAB CCOc1cc(/C=C/C(N)=O)ccc1OC(C)C 216883619 ZUTRJFHEYRRRCC-SOFGYWHQSA-N 249.310 2.371 0 40 BEAB COc1ccc([C@H](C)N[C@H]2CCC[C@@H]2N)cc1 218887024 GFXBIRRVJPEUAA-BPNCWPANSA-N 234.343 2.226 0 40 BEAB Cc1cc(NCCN)c2cccc(C)c2n1 222684329 VUQYOQQSDYSFCI-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB CC(C)C(=O)NCCc1ccc([C@H](C)O)s1 225686146 ZFRNUNCSHRNKEL-VIFPVBQESA-N 241.356 2.116 0 40 BEAB CC(C)NC(=O)c1conc1-c1ccccc1 225870402 XGZWONBUWDRCRM-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB OCCSCCCCC(F)(F)F 336634831 IMSQGQBAEVGWJP-UHFFFAOYSA-N 202.241 2.445 0 40 BEAB CC[C@H](F)COC(=O)C[C@@H](CN)CC(C)C 521396586 XJWUVNQWOQUBDD-QWRGUYRKSA-N 233.327 2.289 0 40 BEAB CO[C@@H]1CC[C@@H](CO)C[C@H]1C(C)(C)C 613825542 PVCBBUOUYOKAAS-GMTAPVOTSA-N 200.322 2.456 0 40 BEAB Oc1ccc(NCCOCC(F)(F)F)cc1 1083811740 KOPYMOSUTYOYGF-UHFFFAOYSA-N 235.205 2.383 0 40 BEAB CCn1ccn2nc(-c3cccs3)cc2c1=O 1888950867 PLNRWMDIIBFXLF-UHFFFAOYSA-N 245.307 2.244 0 40 BEAB CSc1nsc(SC)c1CN 2534277 DUIBMKNYTBLCQM-UHFFFAOYSA-N 206.361 2.046 0 40 BEAB N=c1c2ccccc2[nH]c(=O)n1C1CCCCC1 3851034 OQQNHQSSSVLHLI-UHFFFAOYSA-N 243.310 2.314 0 40 BEAB CC(=O)CCN1[C@@H](C)[C@@H]1c1ccccc1 4775896 WBNBQIWRPXNAJC-MKDGSZCOSA-N 203.285 2.411 0 40 BEAB C[C@H]1CN=C(Nc2ccc(O)cc2)S1 5739328 QDXRVULQUCTVRI-ZETCQYMHSA-N 208.286 2.295 0 40 BEAB CCCCNC(=S)Nc1ncccc1C 7367983 MYTPVANNWTWTPG-UHFFFAOYSA-N 223.345 2.477 0 40 BEAB CCn1c(S)nc2c3nsnc3ccc21 9879840 WCKXGKXACRITCL-UHFFFAOYSA-N 236.325 2.350 0 40 BEAB Clc1n[nH]c2nc3ccccc3nc12 13837653 GHSHUHWQXKLQIU-UHFFFAOYSA-N 204.620 2.160 0 40 BEAB CC(C)CNC(=O)/C=C\c1ccc2c(c1)OCO2 14591338 WKWYNAMJWDRHBP-XQRVVYSFSA-N 247.294 2.201 0 40 BEAB biogenic,in-vitro Cc1ccc(CSc2nnnn2C)c(C)c1 16284760 JONSTBFTEQSQDU-UHFFFAOYSA-N 234.328 2.119 0 40 BEAB O=C(O)CCc1csc(-c2cccnc2)n1 17169581 LLWRHLUJSKGUDP-UHFFFAOYSA-N 234.280 2.222 0 40 BEAB OCCOc1cccc(Cl)c1Cl 19786129 LEPHNDIFZZEUAA-UHFFFAOYSA-N 207.056 2.365 0 40 BEAB CCCN1C(=O)C2=C(CCCC2)[C@@H]1OC 20123838 PEWRBKAQTIGIQA-LBPRGKRZSA-N 209.289 2.082 0 40 BEAB Cc1cccc(-c2c[nH]c3c(=O)[nH]cnc23)c1 21731066 MUABZBOPCIWVHV-UHFFFAOYSA-N 225.251 2.227 0 40 BEAB CC(C)=CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 34239568 YTDSOUMESZDICW-VIFPVBQESA-N 243.303 2.321 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 37380683 HRUXUHQNXUDJEP-VXGBXAGGSA-N 228.251 2.060 0 40 BEAB CN[C@H](CO)c1cccc(Cl)c1Cl 38121196 JISNQROLVLKLTG-MRVPVSSYSA-N 220.099 2.246 0 40 BEAB CCOC(=O)C1CCN(c2cccc(N)c2)CC1 38531440 OVGSXCLWZBODGA-UHFFFAOYSA-N 248.326 2.048 0 40 BEAB Cc1ccc(CN(C)[C@@H]2CCCNC2)cc1 43501379 PNBAOBFIECCROI-CQSZACIVSA-N 218.344 2.179 0 40 BEAB CC(C)[C@@H](C)NCCC(=O)OC(C)(C)C 47218967 WUBNFVTVTRIVDK-SNVBAGLBSA-N 215.337 2.352 0 40 BEAB COCCCN(C)Cc1cccc(OC)c1 51324165 YNPZHCBQVGCRKS-UHFFFAOYSA-N 223.316 2.164 0 40 BEAB CC(C)O[C@H](CN)c1cc(F)ccc1F 62711797 XVBJFFJOMWMDJE-LLVKDONJSA-N 215.243 2.390 0 40 BEAB CC(C)O[C@@H](CN)c1ccc(F)cc1F 62711798 DPPBLWCKVUVYJP-NSHDSACASA-N 215.243 2.390 0 40 BEAB FC1(F)CNCC[C@@H]1OCc1ccccc1 66351304 OBLKTQVTONDPQK-NSHDSACASA-N 227.254 2.200 0 40 BEAB in-vitro Cc1ccc(CN2CCC(N)CC2)c(F)c1 67801121 RNYCGEBZPSEBDF-UHFFFAOYSA-N 222.307 2.057 0 40 BEAB CN(C)C(=O)c1cccnc1SC(F)F 69625723 PHORWSMHZMPWIY-UHFFFAOYSA-N 232.255 2.098 0 40 BEAB Cn1ccnc1NC(=O)OCc1ccccc1 72190622 QKXFQXFBJVBTCM-UHFFFAOYSA-N 231.255 2.169 0 40 BEAB COc1ccccc1Nc1cc(=O)[nH]c(=S)[nH]1 72226405 OUNDVAZXGHAWBE-UHFFFAOYSA-N 249.295 2.185 0 40 BEAB CC(C)(C)c1cn2c(n1)CCC[C@H]2C(=O)O 74040117 RBAUOGQQHFITCZ-QMMMGPOBSA-N 222.288 2.143 0 40 BEAB C[C@H]1CCN(C(N)=O)[C@H]1c1cccc(F)c1 81674367 PLCNIXHLUKKDQB-GZMMTYOYSA-N 222.263 2.287 0 40 BEAB C[C@H](O)CCCc1nc2ccccc2[nH]1 82086990 YPXVMRKDBDPJTN-VIFPVBQESA-N 204.273 2.266 0 40 BEAB CN(C)c1ccc(-c2cc(C(=O)O)no2)cc1 84935310 ZAYBMRVNLSQVQL-UHFFFAOYSA-N 232.239 2.106 0 40 BEAB O=C(c1ccccn1)N1CC[C@H]2CCCC[C@@H]21 89878931 XGWAGNPPXBGYFK-YPMHNXCESA-N 230.311 2.486 0 40 BEAB CCCCCNC(=O)N(C)[C@H](CO)C(C)(C)C 95430558 UOMWTZOQKUTCHW-LLVKDONJSA-N 244.379 2.225 0 40 BEAB Cc1cc(F)ccc1COC(=O)c1cnn(C)c1 96010442 DHNKJTYLYLXMAL-UHFFFAOYSA-N 248.257 2.225 0 40 BEAB OC[C@H]1C=C[C@@H](NCc2cccc3[nH]ccc23)C1 96476672 GHNOSUDKPWPOEH-WCQYABFASA-N 242.322 2.195 0 40 BEAB OCCCNC1(c2ccccc2)CCCC1 96491819 CEVWHVMQRZFUJQ-UHFFFAOYSA-N 219.328 2.428 0 40 BEAB Cc1nn(CCOCc2ccccc2)c(C)c1N 96523426 CACJBWNRRWFBFU-UHFFFAOYSA-N 245.326 2.299 0 40 BEAB NC[C@@H](c1ccccc1)[C@@H](CN)c1ccccc1 164957496 SYFQMERGCCDSAG-HOTGVXAUSA-N 240.350 2.471 0 40 BEAB CC(C)c1cc([C@@H]2CCNC(=O)C2)ccc1N 199778344 DOSWQEDJTUSBJB-LLVKDONJSA-N 232.327 2.386 0 40 BEAB CC(C)[C@H]1COC(=O)N1c1ccnc(Cl)n1 218473626 CMYCIRFZJKISNU-SSDOTTSWSA-N 241.678 2.111 0 40 BEAB COC(=O)c1cccc2ccc(OC)nc12 256051571 JSAHJSNLFGMDRP-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB CC(C)n1nccc1CNCc1cccc(O)c1 256054206 VKNBXSFFPKFPFN-UHFFFAOYSA-N 245.326 2.459 0 40 BEAB Cc1c[nH]nc1[C@H]1CCN(C2CCCC2)C1 257285594 PHXDIUUSIMURLF-NSHDSACASA-N 219.332 2.450 0 40 BEAB O=C(O)c1cc(OC(F)F)c(Cl)cn1 306612641 IZVYKXALLKMLRG-UHFFFAOYSA-N 223.562 2.035 0 40 BEAB CCOC(=O)C[C@H](C)n1ccc(C(F)F)n1 685936617 KZKWKEGNZPRSEO-ZETCQYMHSA-N 232.230 2.335 0 40 BEAB CC[C@@]1(C)C(=O)c2ccccc2N(C)C1=O 1735256 BBQNGGYRGPXQNA-ZDUSSCGKSA-N 217.268 2.262 0 40 BEAB CSc1ccc(-c2cccnc2)nn1 4391866 BJLHOQQTQAAXDE-UHFFFAOYSA-N 203.270 2.261 0 40 BEAB Cc1ccc(C)c(CSc2nnnn2C)c1 6814086 RVUMPKVMEOGYSI-UHFFFAOYSA-N 234.328 2.119 0 40 BEAB CCN(C/C=C/c1ccccc1)CCO 9720783 GATXSOYQSSTFAV-RMKNXTFCSA-N 205.301 2.014 0 40 BEAB CCc1ccc(CCC(=O)N[C@H](C)COC)cc1 10333682 RMEFFYWAASSKDG-GFCCVEGCSA-N 249.354 2.333 0 40 BEAB CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 10337712 KIIJJHMFVGMDOU-UHFFFAOYSA-N 246.354 2.374 0 40 BEAB Cc1ccc(CNC(=O)C(C)C)cc1F 12917563 IGILJNWBYFTHOR-UHFFFAOYSA-N 209.264 2.406 0 40 BEAB NC(=S)NCc1ccc(C(F)(F)F)cc1 16158386 QNSJRYXZVQVXKP-UHFFFAOYSA-N 234.246 2.039 0 40 BEAB CC[C@@H](C)NCc1ccc(O)c(OC)c1 19881842 GAWZWSLGHXRVHE-SECBINFHSA-N 209.289 2.289 0 40 BEAB C[C@@H]1CCc2ccccc2N1CCC(=O)O 20546806 RGMIIVUXSDHUKF-SNVBAGLBSA-N 219.284 2.302 0 40 BEAB in-vitro CCN(C(=O)c1cnn(C)c1)c1ccc(F)cc1 32768788 IEAWUWAKTNKSAE-UHFFFAOYSA-N 247.273 2.226 0 40 BEAB CCOC(=O)c1ccc(OC(F)F)cc1 32911426 DDRAFABMUFWMMW-UHFFFAOYSA-N 216.183 2.465 0 40 BEAB in-vitro Fc1ccc(CO[C@H]2CCCNC2)cc1F 35781799 SGKRQQQXDMNSMA-JTQLQIEISA-N 227.254 2.233 0 40 BEAB COc1ccc(F)cc1CCCC(=O)O 36158798 HPXLWICMZMEFPV-UHFFFAOYSA-N 212.220 2.242 0 40 BEAB COc1cc(CNC(=O)c2ccsc2)ccn1 36394667 APCIFGDMMNJAMB-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB COc1ccccc1[C@@H](N)c1ccccn1 37466340 ZJWYEBFUZYOBGI-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB CN(C)[C@@H](CN)c1ccc(Cl)c(F)c1 43390182 BLNVVRGLGBAEKX-JTQLQIEISA-N 216.687 2.041 0 40 BEAB CCNC(=O)Nc1ccccc1OCC 43468525 MSVWAEOTNUWMBR-UHFFFAOYSA-N 208.261 2.227 0 40 BEAB OC[C@H]1CCCN(CCCOc2ccccc2)C1 48581721 VQPMUXVHWQDIEK-AWEZNQCLSA-N 249.354 2.160 0 40 BEAB Fc1ccc(NCc2cnccn2)cc1F 54765491 GTNUQNKUORZKKZ-UHFFFAOYSA-N 221.210 2.367 0 40 BEAB COC(=O)c1cc(C(C)C)cc(N)c1OC 57339223 BVSKIFHMAQILLN-UHFFFAOYSA-N 223.272 2.187 0 40 BEAB CCC[C@@H](C)NC(=O)[C@H](C)N(C)CC(C)C 68334640 IVZCPOVMYHCTIT-NEPJUHHUSA-N 228.380 2.268 0 40 BEAB Cc1cnn(C[C@@H](C)NCCC(C)C)c1 71874898 BETWJWNORSATAI-GFCCVEGCSA-N 209.337 2.216 0 40 BEAB COC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 72305094 NIIZVGHWZPYCCG-UHFFFAOYSA-N 229.235 2.032 0 40 BEAB in-vitro CN1C[C@@H](C(=O)O)[C@@H](c2ccccc2Cl)C1 75948580 HCJHMZIYDMKGHF-NXEZZACHSA-N 239.702 2.070 0 40 BEAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCCCC1 76938312 VDPJEVYFQHDOKY-ZDUSSCGKSA-N 249.285 2.142 0 40 BEAB Cc1cc(C(=O)N(CC2CC2)CC2CC2)on1 78733136 ONAIHNPVDBCBMQ-UHFFFAOYSA-N 234.299 2.245 0 40 BEAB N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 79776778 HKGDSXMMICYYRW-VIFPVBQESA-N 249.264 2.102 0 40 BEAB Cc1cnc(N2CCCCCC2)c(N)c1 82532456 FHRQJTQQXGSPEK-UHFFFAOYSA-N 205.305 2.353 0 40 BEAB Cc1c(CNc2cnn(C(C)C)c2)cnn1C 93650263 QCJPWJFQCAANPI-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1cc(NCC(=O)O)nc2ccccc12 95094733 PXLBMADFJUGGFY-UHFFFAOYSA-N 216.240 2.040 0 40 BEAB O=C(Nc1scnc1C1CC1)[C@@H]1CCCO1 95447524 TVPDXWBGVFWUOW-QMMMGPOBSA-N 238.312 2.138 0 40 BEAB O=Cc1ccc(F)cc1CN1CCCC1 95738936 GJBNKAXEYPJSTD-UHFFFAOYSA-N 207.248 2.234 0 40 BEAB CCOc1cc(I)ccn1 95929603 TXVWDPYTPLHCBR-UHFFFAOYSA-N 249.051 2.085 0 40 BEAB Cc1ncc2cc(Br)ccn12 95932381 PSXJBEGDFGMCEW-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB in-vitro CCC(=O)NC[C@H](OC)c1cccc(F)c1 96387881 RNIJNYQYYQSATE-NSHDSACASA-N 225.263 2.039 0 40 BEAB CCOC(=O)c1cc(-c2ccc(N)cc2)no1 98180666 UEUPNCATSZRUAV-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB C[C@H]1C[C@@H](CO)CCN1C(=O)OC(C)(C)C 141980380 LXOVPEAYTWFSBI-UWVGGRQHSA-N 229.320 2.014 0 40 BEAB N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 199548557 ZXBLFXOIZZZBHD-NSHDSACASA-N 244.260 2.152 0 40 BEAB in-vitro COC(=O)[C@H]1Nc2c(F)cccc2C1(C)C 218697270 KNHUMJGCWSNBPY-SNVBAGLBSA-N 223.247 2.070 0 40 BEAB CCOc1ccc(N[C@@H]2CCC[C@@H]2N)cc1 218877438 ADZZSJMQSBBVFR-QWHCGFSZSA-N 220.316 2.377 0 40 BEAB N[C@@H](c1cc(Br)cnc1F)C1CC1 238657806 REUKCWCBSCDWFI-MRVPVSSYSA-N 245.095 2.393 0 40 BEAB COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C)o1 252482807 DODIDWUMCFJTLM-VXGBXAGGSA-N 237.299 2.019 0 40 BEAB Nc1cc(-c2cc(F)c(F)c(F)c2F)no1 259522040 QMFMFLHEPVWSHE-UHFFFAOYSA-N 232.136 2.480 0 40 BEAB Cc1cc(Cl)nnc1Br 520789721 XIZGZDLULLUTCD-UHFFFAOYSA-N 207.458 2.201 0 40 BEAB CC1(C)[C@H](c2ccccc2F)CCN1CCO 879638902 HJSZPHJVTSMFFL-LBPRGKRZSA-N 237.318 2.386 0 40 BEAB CCc1nnc2n1CCC[C@H]2C1CCOCC1 899233451 IVTUSRMXCCFGFV-NSHDSACASA-N 235.331 2.145 0 40 BEAB CC(C)(C)OC(=O)Nc1cn(C(F)F)nc1N 1548918901 NRYOQCYIKVHIIS-UHFFFAOYSA-N 248.233 2.207 0 40 BEAB COCc1cc(=O)oc2cc(O)c(Cl)cc12 93760 KHLHZGTZWJOFOC-UHFFFAOYSA-N 240.642 2.298 0 40 BEAB OC1CN(c2ccccc2)N(c2ccccc2)C1 1021975 UWLRSFDUZDCTIA-UHFFFAOYSA-N 240.306 2.289 0 40 BEAB O=C1c2ccccc2[C@H]2c3cccn3CCN12 1395730 QOWROVWPEFYPIP-ZDUSSCGKSA-N 224.263 2.047 0 40 BEAB CCN(CC)C(=O)[C@@H]1Cc2ccccc2N(C)C1 1665412 YGUMEHXRWZNVOM-CYBMUJFWSA-N 246.354 2.164 0 40 BEAB COC(=O)[C@@H](C)c1cc2ccccc2[nH]1 1869963 GAMURTSIMKWGEJ-QMMMGPOBSA-N 203.241 2.444 0 40 BEAB CCCCC[C@H](C)NC(=O)CCCC(=O)O 4784109 MOXYXJVRZZUCFY-JTQLQIEISA-N 229.320 2.326 0 40 BEAB O=C(c1ccccc1)N1CC[C@H]2CC[C@@H](O)[C@@H]1C2 4982814 JNCDGTXHWIJATK-KWCYVHTRSA-N 245.322 2.062 0 40 BEAB CC(C)(C)c1cc(=O)[nH]c(C(C)(C)C)n1 5053243 PZLGMNBLXLMEIM-UHFFFAOYSA-N 208.305 2.365 0 40 BEAB in-vitro CCOC(=O)Nc1ccc2nsnc2c1 5473194 VLYYSJOVMRSFAS-UHFFFAOYSA-N 223.257 2.260 0 40 BEAB CCOC(=O)c1cn[nH]c1-c1ccccc1F 8700038 MRLVLPCWWFMBPU-UHFFFAOYSA-N 234.230 2.393 0 40 BEAB CCOC(=O)c1cn[nH]c1-c1cccc(F)c1 8700041 CRCRBJJTJINSHZ-UHFFFAOYSA-N 234.230 2.393 0 40 BEAB OC[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 13568176 KRIDCXMQJUMNJH-GFCCVEGCSA-N 244.338 2.372 0 40 BEAB Cc1ccn(-c2ccc(N)cc2Cl)n1 20351934 KQPPAGYGHQTZEX-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB Nc1cnccc1OCc1ccccc1 20370512 WSMGCHYPHRQNEG-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB in-vitro CCCCC(=O)Nc1ccc(-n2ccnc2)nc1 25011634 USWGBDGLDHHGIT-UHFFFAOYSA-N 244.298 2.396 0 40 BEAB CCO[C@H]1OCN(C(C)C)CC1(C)C 31720524 FXIWHWUVKUEVRJ-JTQLQIEISA-N 201.310 2.073 0 40 BEAB Nc1ccc(OCCCCCC(=O)O)cc1 33641423 KVAQTQDJYKKEJW-UHFFFAOYSA-N 223.272 2.293 0 40 BEAB Cc1cc(C)c2c3c([nH]c2c1)CCNC3 34985274 YLYAEPNZCVSVSB-UHFFFAOYSA-N 200.285 2.430 0 40 BEAB COc1ccccc1CNCc1c[nH]nc1C 35273957 IZRBCKHVIMEMDR-UHFFFAOYSA-N 231.299 2.017 0 40 BEAB CCCCNc1ccc(-n2cncn2)cc1 37768804 IEJMJAHXWVCNGC-UHFFFAOYSA-N 216.288 2.479 0 40 BEAB Cc1n[nH]cc1CNc1nc2ccccc2o1 38011858 FEQVKBHOBMEJBV-UHFFFAOYSA-N 228.255 2.471 0 40 BEAB COC(=O)c1ccc(OCc2cc(C)no2)cc1 40005758 USHKLEOMYRYJCO-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB O=C(/C=C/c1ccco1)NCCc1ccccn1 40160955 ZIZJXMRCJWRQOF-VOTSOKGWSA-N 242.278 2.047 0 40 BEAB CCN(CC)CC(=O)Nc1ccc(F)c(F)c1 40461074 GKWPAKJGYIVWET-UHFFFAOYSA-N 242.269 2.245 0 40 BEAB OC[C@H](c1ccccc1F)N1CCCCC1 41242353 PHQODCTZVMCCMY-CYBMUJFWSA-N 223.291 2.345 0 40 BEAB CCOC(=O)Cc1ccc(OC)cc1Cl 43503385 KEOPHVIFCIVXIN-UHFFFAOYSA-N 228.675 2.454 0 40 BEAB COC(=O)c1oc(CN(C)CC2CC2)cc1C 52128367 HLDYVTHGLZGQGK-UHFFFAOYSA-N 237.299 2.216 0 40 BEAB CCOc1ccccc1[C@@H]1C[C@H]1CNC 54588682 RIUBOBWEODBZEH-CMPLNLGQSA-N 205.301 2.408 0 40 BEAB CCN(CC)c1c(N)cc(C(=O)O)cc1Cl 70462226 ANZNYXYUNJTYLB-UHFFFAOYSA-N 242.706 2.467 0 40 BEAB CNc1ncccc1[C@@H]1CCCCN1C(C)=O 72212571 HMWSAJONKGMWPV-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CC[C@@H](O)c1ccc(N2CCCC2)nc1C 72224520 KPZOHTZBQRWSKJ-GFCCVEGCSA-N 220.316 2.434 0 40 BEAB c1ccc([C@@H]2CCCN(C3CCOCC3)C2)nc1 72381928 AYRWFNVHGWTQKB-CYBMUJFWSA-N 246.354 2.440 0 40 BEAB NCc1ccnc2ccc(Br)cc12 83337179 PPXGHKUIFVSGPZ-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB c1csc([C@H]2CCCN(Cc3c[nH]cn3)C2)n1 92788693 ILFCFRFSNVJHKM-JTQLQIEISA-N 248.355 2.246 0 40 BEAB C[C@H]1CC(C(=O)NCc2ccco2)C[C@H](C)O1 93899920 DFVGVVYPUZSASE-UWVGGRQHSA-N 237.299 2.099 0 40 BEAB CN(CCc1ccccn1)CCc1nccs1 95435428 LWWGGBWAHCYIBK-UHFFFAOYSA-N 247.367 2.255 0 40 BEAB O=C1CCCc2c(Br)cncc21 95803696 FACZUAXPWHUPAL-UHFFFAOYSA-N 226.073 2.363 0 40 BEAB C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccncc1 97096322 OKEIJSBULLVRDS-AAEUAGOBSA-N 247.342 2.188 0 40 BEAB CCOC(=O)[C@H]1CCCO[C@H]1C(C)C 98095758 WVYBVCQXRFKMOW-UWVGGRQHSA-N 200.278 2.001 0 40 BEAB in-vitro O=Cc1c(F)cc(OCCF)cc1F 118453821 ZCVDPSMCDGQULT-UHFFFAOYSA-N 204.147 2.126 0 40 BEAB C[C@H](CO)[C@@H]1CCCN1C(=O)OC(C)(C)C 214630772 CZGGVYDUTBZKDK-ZJUUUORDSA-N 229.320 2.014 0 40 BEAB CSC[C@@H]1Cc2cc(C=O)ccc2O1 218743806 CFGGIYWNIKMWES-JTQLQIEISA-N 208.282 2.166 0 40 BEAB OCC12CCC(Br)(CC1)CC2 224090438 QPBVQXYEMOAUOQ-UHFFFAOYSA-N 219.122 2.467 0 40 BEAB CC1(C)CCC[C@@](O)(CNC(=O)C2CCC2)C1 225484100 NXWAZPKEWQTWKF-AWEZNQCLSA-N 239.359 2.234 0 40 BEAB CC[C@H](CO)NC(=O)N[C@H]1CCC[C@@H](C)CC1 225513854 ISIJZVGGOLRLTD-UTUOFQBUSA-N 242.363 2.025 0 40 BEAB C[C@@H]1O[C@H]2C[C@@H](C(F)(F)F)C[C@@H](N)[C@@H]2[C@@H]1C 225763281 CZVKMVVAGFXBBQ-NESWFBESSA-N 237.265 2.326 0 40 BEAB COc1ccc([C@H](C)N[C@@H]2CCC[C@H]2N)cc1 242495503 GFXBIRRVJPEUAA-ZLKJLUDKSA-N 234.343 2.226 0 40 BEAB Cn1cc(CNc2cnn(C3CCCC3)c2)cn1 256049689 AZLRPSDTYZEMBZ-UHFFFAOYSA-N 245.330 2.344 0 40 BEAB O=C(CCc1cccnc1)C(F)(F)F 257197806 JSGUMRZLUKZSSN-UHFFFAOYSA-N 203.163 2.146 0 40 BEAB O=C1OCOc2cc(F)cc(Br)c21 258830587 HSDPOBQPHIPTRI-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB O=C(OC1CCCC1)N1C[C@H]2C[C@H]1CS2 320822552 SOQFDDVBNRNEQV-WCBMZHEXSA-N 227.329 2.255 0 40 BEAB CC(C)n1cc(-c2n[nH]c(=N)s2)c(C2CC2)n1 408717710 PIBHNKNCWGEPTG-UHFFFAOYSA-N 249.343 2.272 0 40 BEAB C[S@](=N)(=O)c1cccc2cccnc12 521399513 VKPOJWXMDDJWHR-AWEZNQCLSA-N 206.270 2.270 0 40 BEAB O=C(c1cscn1)N1CCC(C2CC2)CC1 646758633 DPBZQCRTZXOACJ-UHFFFAOYSA-N 236.340 2.405 0 40 BEAB Clc1cnc2ccnc(Cl)c2n1 953057406 XQWKBASAHGOZIW-UHFFFAOYSA-N 200.028 2.332 0 40 BEAB COC(=O)c1nc(-c2ccccc2)oc1S 477951 VFPURCAOOLUERH-UHFFFAOYSA-N 235.264 2.417 0 40 BEAB Cc1ccc(-c2csc(CC(N)=O)n2)cc1 793097 JDEGGWYONJJVEJ-UHFFFAOYSA-N 232.308 2.146 0 40 BEAB CC(=O)c1nn(-c2ccc(C)cc2)nc1C 1439620 RZDPKKIXSFLZKH-UHFFFAOYSA-N 215.256 2.087 0 40 BEAB CCc1c(C)c(=O)n(C)c2ccccc12 1726806 OCIMGLNGQNDLND-UHFFFAOYSA-N 201.269 2.409 0 40 BEAB CCCCNS(=O)(=O)c1cc(C)ccc1C 3298525 CMIAOAXZRZQHPG-UHFFFAOYSA-N 241.356 2.382 0 40 BEAB Fc1ccc(NCc2nnc(S)o2)cc1 5522179 JJJUDPUJCHMLGO-UHFFFAOYSA-N 225.248 2.110 0 40 BEAB C[C@H]1CCCN(c2ncccc2C(=O)O)C1 5721166 NUYISFMPEWGRBC-VIFPVBQESA-N 220.272 2.016 0 40 BEAB COc1ccc(C)cc1N[C@H](C)C(=O)NC1CC1 6300020 XXRKBVUQLKFBIJ-SNVBAGLBSA-N 248.326 2.083 0 40 BEAB NC(=O)[C@H](Cc1ccccc1)c1ccccc1 6575248 XOHMYQLKPHUOQR-CQSZACIVSA-N 225.291 2.498 0 40 BEAB Cc1ccnc(NC(=S)NC(C)C)c1 7143224 SUGOFLYYZIMIQR-UHFFFAOYSA-N 209.318 2.085 0 40 BEAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCCC1 12389022 ONDDKCJABRYASU-CYBMUJFWSA-N 244.294 2.389 0 40 BEAB Cc1cc(CNC(=O)NCC2CC2)ccc1F 12894392 QBFBWRAWVMQMSW-UHFFFAOYSA-N 236.290 2.343 0 40 BEAB CCNC(=O)N1CCC[C@H]2CCCC[C@@H]21 16681685 IXPJBWBFZPNKKG-MNOVXSKESA-N 210.321 2.371 0 40 BEAB CC[C@@H](C)NCC(=O)Nc1ccc(F)cc1 20036547 YKGJOZHXOWPOFN-SECBINFHSA-N 224.279 2.152 0 40 BEAB Cc1ccc(NC(=O)C2CCC2)c(N)c1 20157116 JWFHVPYQNVRWCK-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB c1ccn2c(CNC3CCCCC3)nnc2c1 20185613 WITHMIDNVXYSDR-UHFFFAOYSA-N 230.315 2.152 0 40 BEAB CCCCC(=O)Nc1ccc(OC)c(N)c1 20342993 XAJNCVZCOROVON-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB Cc1ccc([C@@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1 22166919 JIDRSRYRCNYOIG-UMVBOHGHSA-N 248.370 2.104 0 40 BEAB CC(=O)Nc1nc(CN2CCCCC2)cs1 23693205 TZXKZXHBLHWCAL-UHFFFAOYSA-N 239.344 2.087 0 40 BEAB CC(C)[C@]1(C)N=C(c2ccccc2)N(C)C1=O 24718232 RAHKMFFMYKRDEW-AWEZNQCLSA-N 230.311 2.320 0 40 BEAB Cc1cccc(C(=O)NCCc2cccs2)n1 25095225 TVXJPTYDWJYFFX-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB CCOCCn1c(COC)nc2ccccc21 32991788 MDCWWYAHVIYCQA-UHFFFAOYSA-N 234.299 2.219 0 40 BEAB O[C@@H](c1cccc(F)c1)c1ccccn1 37464707 SWWDFRDACYVBNF-LBPRGKRZSA-N 203.216 2.302 0 40 BEAB in-vitro Cc1ncsc1C(=O)NCCC(C)C 40529107 LHGPQNLQLJEIOW-UHFFFAOYSA-N 212.318 2.227 0 40 BEAB CCOC(=O)c1cc(F)c(F)c(OC)c1 43503481 XYHFLRWVMFPZMR-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)Nc2cn[nH]c2)o1 43721605 BIPKCIIGNQELHT-MRVPVSSYSA-N 234.259 2.194 0 40 BEAB c1ccc2oc(NC[C@@H]3CCCCN3)nc2c1 44493350 SBWSJVQGYSXXMF-JTQLQIEISA-N 231.299 2.382 0 40 BEAB Cc1cc(N2CC[C@@H](N)C2)c2ccccc2n1 50244111 PJXLBQVFQNTOCW-LLVKDONJSA-N 227.311 2.081 0 40 BEAB CCOc1ccc(C)cc1[C@H](O)CCC(=O)O 51599915 ACHRDQMNCWKWKA-LLVKDONJSA-N 238.283 2.292 0 40 BEAB CCc1ccc(C2(O)CCN(C)CC2)cc1 53296671 BFCLWPXEIBYUFG-UHFFFAOYSA-N 219.328 2.162 0 40 BEAB N[C@@H]1CC(=O)c2cc(Br)ccc21 57953135 GJSLWXGTMFHIII-MRVPVSSYSA-N 226.073 2.035 0 40 BEAB CCOCC(=O)Nc1ccc(Cl)cc1F 58098759 QUWNYXDWPSLEAI-UHFFFAOYSA-N 231.654 2.454 0 40 BEAB Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cnn1C 58290934 BWOJCSAHYVCLNS-GWCFXTLKSA-N 249.358 2.379 0 40 BEAB COc1cc([C@H]2CCCNC2)ccc1F 59440433 VMRATJGZMVJDFO-JTQLQIEISA-N 209.264 2.301 0 40 BEAB CCOC(=O)[C@@H]1CC(=S)Nc2ccccc21 65336797 MBUHKOCHFHPXJK-SECBINFHSA-N 235.308 2.476 0 40 BEAB OC[C@@H](c1cccc(F)c1)N1CCCCC1 70453021 HBIZCOPXWWWKMB-ZDUSSCGKSA-N 223.291 2.345 0 40 BEAB Cc1cc(N2CCCCCC2)ncc1CN 72223520 DESYVPKLRFFAKD-UHFFFAOYSA-N 219.332 2.229 0 40 BEAB CC(C)NC(=O)c1cn[nH]c1-c1cccs1 72329434 AVZUAFOUJKEEHU-UHFFFAOYSA-N 235.312 2.276 0 40 BEAB Cc1cc(C)cc(-c2cc(C(=O)O)[nH]n2)c1 75879843 LEMHKXXBRQWIJI-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB COc1cc(NCc2cncnc2)ccc1F 83359544 TTZFTGIIJZCUBM-UHFFFAOYSA-N 233.246 2.236 0 40 BEAB COC(=O)c1cccc2c(Cl)n[nH]c12 89196121 MZZPKAPXWPCBDF-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2CCC[C@H]2C1 89764794 UOLJWEZUSWHMQY-PHIMTYICSA-N 246.310 2.424 0 40 BEAB Cc1ccc2c(Cl)c(C)c(NN)nc2n1 90613221 VRHNIMHRLSYEMC-UHFFFAOYSA-N 222.679 2.186 0 40 BEAB Cc1cc(C(N)=O)cc(C)c1OC(C)C 95095308 BOZUJOULWVIDFR-UHFFFAOYSA-N 207.273 2.190 0 40 BEAB Oc1cc(F)ccc1I 95712388 DZXUERYVERNFQU-UHFFFAOYSA-N 237.999 2.136 0 40 BEAB in-vitro Cn1cccc1-c1nc([C@H]2CCCCCN2)no1 96001509 AOZNCPTULSCTRA-SNVBAGLBSA-N 246.314 2.280 0 40 BEAB NC[C@@H]1Cc2ccccc2N(CC2CC2)C1 96510385 PGFRBHOXYYHBIN-LBPRGKRZSA-N 216.328 2.034 0 40 BEAB Cn1nc2c(c1O)[C@@H](c1ccc(Cl)cc1)CN2 110757744 XLIUOOIOHWEDDY-SECBINFHSA-N 249.701 2.337 0 40 BEAB O=C1NCCC[C@@H]1Cc1cccc(Cl)c1 157319341 BVIRMSZHMYKROL-SNVBAGLBSA-N 223.703 2.409 0 40 BEAB CCC(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 192055462 DXSPGCGMUWFQCX-SWLSCSKDSA-N 249.354 2.142 0 40 BEAB C[C@H]1C[C@@]1(CN)[C@@H](O)c1cccc(Cl)c1 216576302 XBJANVHKFVLHTL-UWJYBYFXSA-N 225.719 2.358 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2CO)C1 217351915 RDIDHDVKSYRPDN-MFKMUULPSA-N 241.331 2.016 0 40 BEAB CNC[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 256050827 GQOXRGPBNSWUJQ-GHMZBOCLSA-N 242.363 2.241 0 40 BEAB CC(=O)N1CCC[C@H]1c1cc(Cl)nc(C)n1 257217329 CYMVMPWHHKGJRA-JTQLQIEISA-N 239.706 2.122 0 40 BEAB CCC1=NCC(=O)Nc2ccc(Cl)cc21 128536 QIEVFKVVRXSZAY-UHFFFAOYSA-N 222.675 2.491 0 40 BEAB COc1c(F)c(F)c2ccc(=O)oc2c1F 500316 HLPOZWDHUWSENJ-UHFFFAOYSA-N 230.141 2.219 0 40 BEAB O=C(/C=C/c1ccc(F)cc1)N1CCCC1 512649 BSJLTPGVNAZMET-VMPITWQZSA-N 219.259 2.461 0 40 BEAB CC(=O)Oc1cccc2c1OC(C)(C)C2 5504950 LKMZGTIBHBYUOW-UHFFFAOYSA-N 206.241 2.325 0 40 BEAB CCn1c(SCCC(N)=O)nc2ccccc21 7033701 VSFPWAXDYJAMDX-UHFFFAOYSA-N 249.339 2.024 0 40 BEAB Cc1ccc(F)cc1NCC(=O)NC(C)C 9155022 UZCYSJWGZSSAHA-UHFFFAOYSA-N 224.279 2.071 0 40 BEAB CC(=O)c1c(F)cccc1-n1ccnc1 12505634 IGZFTEFTDFAABQ-UHFFFAOYSA-N 204.204 2.214 0 40 BEAB in-vitro Cc1cc(C)c2c(c1)[nH]c1nc(S)nnc12 13534208 NKLOOHRELRMKAI-UHFFFAOYSA-N 230.296 2.412 0 40 BEAB O=Cc1ccnc2[nH]cc(Br)c12 19046145 ZEMGCLLLXCWXPJ-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB COc1ccc(NC[C@@H]2CCCO2)cc1 20056101 ALYGFNLITSNLDN-LBPRGKRZSA-N 207.273 2.286 0 40 BEAB CC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1 32228598 BKPLVPRTTWIDNL-ZIAGYGMSSA-N 233.311 2.433 0 40 BEAB in-man CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 34614732 IJBQVGBVDHATME-QPUJVOFHSA-N 243.303 2.010 0 40 BEAB Cc1cc(C)cc(C2(O)CCN(C)CC2)c1 37745908 KUYFULLEXFAPNT-UHFFFAOYSA-N 219.328 2.217 0 40 BEAB OCc1cccc(-c2ccnc(Cl)n2)c1 38580115 OKUZPLMHADFIMS-UHFFFAOYSA-N 220.659 2.289 0 40 BEAB COC(=O)c1ccc2ccc(CO)cc2c1 40443114 RJPDNALCGZSUGO-UHFFFAOYSA-N 216.236 2.119 0 40 BEAB Cc1cc(N)ccc1OC1CCOCC1 40887167 BWPQNEDAJJPFQC-UHFFFAOYSA-N 207.273 2.135 0 40 BEAB in-vitro CN(C)[C@H](CCN)c1ccccc1Cl 41226726 RZVAUDVGENAUMG-LLVKDONJSA-N 212.724 2.292 0 40 BEAB CNC(=O)c1sc(-c2ccc(C)o2)nc1C 41749951 CXSPFLYZLQNZSN-UHFFFAOYSA-N 236.296 2.380 0 40 BEAB COc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)cc1 43879011 SRFOISVYVQZJQU-NWDGAFQWSA-N 248.278 2.379 0 40 BEAB C[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1 43999566 OBZSMPALSFDFJB-SECBINFHSA-N 221.304 2.179 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)CCn2cccn2)[C@@H]1C 47666018 XNLOBKHIBPEABL-JHJVBQTASA-N 249.358 2.214 0 40 BEAB CC[C@H](C)c1noc(C2CCNCC2)n1 57340772 YTIZVSRZMKIRQN-QMMMGPOBSA-N 209.293 2.050 0 40 BEAB CC(C)NCc1cn(CC(=O)O)c2ccccc12 62717177 LJQBGXHSVQUXDI-UHFFFAOYSA-N 246.310 2.224 0 40 BEAB N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21 65734217 NIDGAHURPWFSKR-ZDUSSCGKSA-N 224.263 2.306 0 40 BEAB in-vitro CC(C)(C)SCCNC(=O)C1CCC1 66739173 CHZASDRQNHGWMV-UHFFFAOYSA-N 215.362 2.434 0 40 BEAB CCOC(=O)c1cc2ncccc2nc1Cl 71255734 WVGRWQNJTBMEPJ-UHFFFAOYSA-N 236.658 2.460 0 40 BEAB CCOc1ncccc1[C@H]1CCCN1C(C)=O 72211833 DHJCQKZJKLOHGK-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 72406711 XHMBCMXTJYWXHQ-DTWKUNHWSA-N 229.201 2.294 0 40 BEAB COc1ccc(-c2nc(C)cc(C)n2)cc1N 82541549 NZSPNPONRLNLTC-UHFFFAOYSA-N 229.283 2.351 0 40 BEAB CC1(C)COC2(CCC(C(=O)O)CC2)OC1 83324587 SJJHVUGBGCVKPB-UHFFFAOYSA-N 228.288 2.031 0 40 BEAB Cc1cc(F)ccc1-c1ccc(N)nn1 84026346 XYVKATMLZALUBB-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB O=C1CC2(CCNCC2)c2c(F)cccc21 84780263 SDTUUEVYMZDLPY-UHFFFAOYSA-N 219.259 2.033 0 40 BEAB COC(=O)C[C@]12CC[C@](C)(C(=O)C1)C2(C)C 85398798 SYNGPWGKVVAZBZ-OLZOCXBDSA-N 224.300 2.335 0 40 BEAB CCOCCC(=O)N1CCc2cc(C)ccc21 91103871 OMYFYEDUSPPSNW-UHFFFAOYSA-N 233.311 2.311 0 40 BEAB CCCCc1noc([C@H]2CCCNCC2)n1 95095442 VCSDNFPBFODQNS-JTQLQIEISA-N 223.320 2.269 0 40 BEAB COC(=O)C(=O)Nc1ccccc1C(C)(C)C 95938020 LLLXKILHDWSBJU-UHFFFAOYSA-N 235.283 2.096 0 40 BEAB CC(C)N(CC(F)F)C(=O)NCc1ccco1 95970863 YXWJIFIBGZHVEZ-UHFFFAOYSA-N 246.257 2.465 0 40 BEAB CN(CCCc1ccncc1)C[C@H]1CCCO1 96012929 JJGVVBBVEWQURN-CQSZACIVSA-N 234.343 2.125 0 40 BEAB c1csc(-c2nc(CC3CCNCC3)no2)c1 96511434 FONPEOPMQAUUSW-UHFFFAOYSA-N 249.339 2.340 0 40 BEAB CC[C@H](OC(=O)c1cscc1C)C(=O)OC 97022685 BPFNWHSUHWBFHI-VIFPVBQESA-N 242.296 2.165 0 40 BEAB O=[S@](CCO)[C@H]1CCc2c(Cl)cccc21 97046691 NKWTVLVMSIYANC-NHYWBVRUSA-N 244.743 2.068 0 40 BEAB CN(C)Cc1ccccc1C(=O)C(F)(F)F 101739296 JMTSFNPECVMQMU-UHFFFAOYSA-N 231.217 2.493 0 40 BEAB c1ccc(CN[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 103618655 MBORLOMNPQQJJD-WDNDVIMCSA-N 216.328 2.059 0 40 BEAB CC(=O)COC(C(F)(F)F)C(F)(F)F 141955486 NOEQZVPGABGQEG-UHFFFAOYSA-N 224.100 2.085 0 40 BEAB CC(C)C[C@@H]1COC(c2ccccn2)=N1 196469105 MFEIEQDUFOSLGN-SNVBAGLBSA-N 204.273 2.273 0 40 BEAB CC(C)C(=O)NCCc1ccc([C@@H](C)O)s1 225686174 ZFRNUNCSHRNKEL-SECBINFHSA-N 241.356 2.116 0 40 BEAB CCn1cc(C)c(NCc2ccnn2CC)n1 256049587 AOLXCGBBNBCMJH-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CCn1cc(CNc2nn(CC)cc2C)c(C)n1 256051601 JUPIPKAPNBZMNU-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB Oc1nccc(Cl)c1Br 307354574 XILIPMFTKVCHLJ-UHFFFAOYSA-N 208.442 2.203 0 40 BEAB CCOC(=O)c1cccc(CNC(C)C)c1 381657101 FMVIXEAHEVYCJY-UHFFFAOYSA-N 221.300 2.361 0 40 BEAB CC(C)CNC(=O)c1cccc(N(C)C)c1 60781 ISRLXXLSWCTLII-UHFFFAOYSA-N 220.316 2.138 0 40 BEAB Cc1cc(C)n(-c2cc(Cl)nc(C)n2)n1 234447 YUVZWUDVMQQABN-UHFFFAOYSA-N 222.679 2.241 0 40 BEAB CC(=O)N1N=C2CCCC[C@H]2[C@@H]1C(C)C 238674 PUAQGLLTOYVTSQ-PWSUYJOCSA-N 208.305 2.419 0 40 BEAB O=C(O)CCC(=O)Nc1ccc2ncccc2c1 417947 WPFASEFJRBTUCM-UHFFFAOYSA-N 244.250 2.038 0 40 BEAB O=Cc1cn2c(n1)sc1ccccc12 1503357 AYWXAXVILRRBCO-UHFFFAOYSA-N 202.238 2.362 0 40 BEAB C=CC(=O)OCCOc1ccc(Cl)cc1 2571922 FMXXUKHMGCCUBZ-UHFFFAOYSA-N 226.659 2.448 0 40 BEAB COC(=O)c1cc(/C=C/c2ccccc2)[nH]n1 3906386 MDQMOHNCBLLDIZ-BQYQJAHWSA-N 228.251 2.367 0 40 BEAB CCOc1ccc2ccccc2c1[C@@H](N)C(=O)O 4227600 IBEKXJPEGUNTAW-CYBMUJFWSA-N 245.278 2.323 0 40 BEAB CCOc1c(Cl)cc(C(=O)NC)cc1OC 6155237 WRERQZCDWODHTG-UHFFFAOYSA-N 243.690 2.107 0 40 BEAB CCc1n[nH]c(=S)n1NCc1ccsc1 8339442 HLMGBPBNBTYQER-UHFFFAOYSA-N 240.357 2.308 0 40 BEAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(N)=O 9368011 LLQOXGRGCWNZED-VIFPVBQESA-N 240.306 2.224 0 40 BEAB CCc1ccc([C@@H](O)c2nccn2C)cc1 9421100 KEUBWLFIROMSGD-GFCCVEGCSA-N 216.284 2.064 0 40 BEAB O[C@]1(c2ccc(F)cc2)CCC[C@H]2CNC[C@@H]21 13997966 KADNKMBDWLQVRJ-BPNCWPANSA-N 235.302 2.033 0 40 BEAB CCc1ccccc1N1CCC(N)CC1 19480818 LDWSLWFCUFKQPI-UHFFFAOYSA-N 204.317 2.177 0 40 BEAB in-vitro CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)OCCO2 25975688 CMUINWSSTLVSEG-SNVBAGLBSA-N 249.310 2.232 0 40 BEAB C[C@H](N)COCc1ccc(Br)cc1 28521563 XVJOTGRMLPRKQA-QMMMGPOBSA-N 244.132 2.313 0 40 BEAB O=C(NCc1cc(F)cc(F)c1)c1cccnc1 30163244 JYVVIMJNQFISPF-UHFFFAOYSA-N 248.232 2.290 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1 32741259 QIEVYYLQLIJXFZ-SCZZXKLOSA-N 209.314 2.363 0 40 BEAB Cc1ccc(CCC(=O)N2CCO[C@H](C)C2)cc1 32865187 UVKPGQWNSQRQGE-CYBMUJFWSA-N 247.338 2.175 0 40 BEAB Cc1nc2c(N)cc(Br)cc2n1C 36056287 UUFBXDBGXBKOEJ-UHFFFAOYSA-N 240.104 2.226 0 40 BEAB CC(C)(c1ccccc1)c1nnc(N)s1 36870628 PALMDNYJOLXCLN-UHFFFAOYSA-N 219.313 2.446 0 40 BEAB in-vitro COc1ccccc1CN[C@@H]1CCCC[C@@H]1O 37490776 MXMLMFXYNJBSSN-OLZOCXBDSA-N 235.327 2.088 0 40 BEAB CC(=O)N1CC(C)(C)Oc2ccccc21 41306956 OJNUTKLWRIUNBN-UHFFFAOYSA-N 205.257 2.211 0 40 BEAB CS[C@H](C)C(=O)N(C)Cc1ccsc1 42850151 KTUJZLHCMCTIJM-MRVPVSSYSA-N 229.370 2.458 0 40 BEAB Fc1cc2cc[nH]c2nc1Br 44712713 VJXFQZOLFOEPAN-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB COc1ccc(CN(C)C(=O)C2CCC2)cc1 44818781 GNXPREZISBCWJK-UHFFFAOYSA-N 233.311 2.454 0 40 BEAB CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)C(C)C 49252391 GQYFVBYSUFEEMQ-JTQLQIEISA-N 246.314 2.122 0 40 BEAB COc1c(C(N)=O)cc(C)c(C)c1Cl 57340051 GCVMKQVJWSDNEV-UHFFFAOYSA-N 213.664 2.064 0 40 BEAB CC(C)NC(=O)Cn1cc(-c2ccccc2)cn1 58407205 AJUISDYUJWHOHD-UHFFFAOYSA-N 243.310 2.075 0 40 BEAB Cc1ccccc1[C@](C)(CN)N1CCCC1 70453397 MMOFUEINCYYSKT-AWEZNQCLSA-N 218.344 2.265 0 40 BEAB CCOC(=O)CC1(N2CCCC2)CCCC1 70823482 KWRHKGKSNCLLMV-UHFFFAOYSA-N 225.332 2.348 0 40 BEAB CSc1nc(Cl)ccc1C(=O)O 71026074 AEKOIJWVAYFEBE-UHFFFAOYSA-N 203.650 2.155 0 40 BEAB in-vitro Cc1c(C(=O)O)cnn1Cc1ccc(F)cc1 71193303 RANDKAMJYDNFRC-UHFFFAOYSA-N 234.230 2.077 0 40 BEAB CCOC(=O)[C@H]1CCCCN1c1ccccc1N 71257545 CMHGXMMGCCZKNH-CYBMUJFWSA-N 248.326 2.191 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1nc(C)cc(C)n1 72187639 DDVIJXOQKTUWRG-GFCCVEGCSA-N 233.315 2.167 0 40 BEAB CCN(C)c1ccc(C2=NCCC2)cn1 72212697 PALAVYQGWFGNJB-UHFFFAOYSA-N 203.289 2.121 0 40 BEAB Cc1ncoc1C(=O)N[C@H](C)C(C)(C)C 72310160 GRDNAFLPNQUMHM-MRVPVSSYSA-N 210.277 2.147 0 40 BEAB CCN1CC[C@@H](c2cc3cccnc3[nH]2)C1 72361096 IHFWMDLQHPJENV-LLVKDONJSA-N 215.300 2.372 0 40 BEAB CCOC(=O)c1nc2ccc(F)cc2o1 75883673 LTPYEKDYUUCWQD-UHFFFAOYSA-N 209.176 2.144 0 40 BEAB CCCN(CC(=O)O)c1cccc(C)c1 76583963 HGWBERGZUGFCOR-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB CC(C)(C(=O)O)c1cccc(C(F)(F)F)n1 82343694 IILJQCOTHQCJNS-UHFFFAOYSA-N 233.189 2.463 0 40 BEAB in-vitro CCCOc1ccc(C(=O)O)cc1C(C)=O 85390034 NVXAMXHFYNMGND-UHFFFAOYSA-N 222.240 2.376 0 40 BEAB CC(C)CNC1(C(=O)NCC2CC2)CCCC1 85937204 ZPFXBMJQISYZSW-UHFFFAOYSA-N 238.375 2.071 0 40 BEAB CC(C)OCCCN1CCC[C@@H]1CCCO 95351194 IRXDWJJFBRMYAW-CYBMUJFWSA-N 229.364 2.038 0 40 BEAB CCOP(=O)(OCC)[C@H](CC)C(=O)O 95863165 NETDVWKQOUDENP-SSDOTTSWSA-N 224.193 2.116 0 40 BEAB CCC(=O)NC[C@H](OC)c1ccccc1C 96104896 QLHUNDJOZXFZIX-LBPRGKRZSA-N 221.300 2.209 0 40 BEAB CCOc1cccc(Cn2nc(C)cc2C)n1 97085695 LYAZHZWTGZBPMU-UHFFFAOYSA-N 231.299 2.342 0 40 BEAB c1ccc(CN2CCC[C@@H]2[C@H]2CCCN2)cc1 101271518 XSMYNCCUVCACAS-HUUCEWRRSA-N 230.355 2.403 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](F)C(=O)C2 101721106 YYCAGVRICFXYHB-QXFUBDJGSA-N 243.278 2.065 0 40 BEAB O=C1NC(=O)[C@H](Cc2cccc(Cl)c2)S1 218823522 XALZJPMVXSKUDB-QMMMGPOBSA-N 241.699 2.234 0 40 BEAB CCO[C@@H](Cc1ccc(Cl)cc1)C(=O)O 220528277 CUSRQHIMZYVXEU-JTQLQIEISA-N 228.675 2.372 0 40 BEAB COCCNCc1cccn1-c1ccccc1F 223683313 OZLNBBGQNMJLOH-UHFFFAOYSA-N 248.301 2.352 0 40 BEAB CC[C@H](C(=O)O)N(CC)c1ccccc1OC 224996972 BNQYOZBKRHHKDN-SNVBAGLBSA-N 237.299 2.385 0 40 BEAB C[C@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1 225278071 AEPMKZIOUKHDOO-GRYCIOLGSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro CC[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2C)CC1 252523232 CDBVQSYKHWIQOT-LPWJVIDDSA-N 239.359 2.496 0 40 BEAB Cn1cc(Br)c2nc(Cl)ncc21 299890249 WPDPALSCYFGRQW-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CCOC(=O)c1nn(C(F)F)cc1Cl 408715789 DQXVDPYLAVZKOA-UHFFFAOYSA-N 224.594 2.108 0 40 BEAB CCCN1C(=O)N/C(=C/c2ccccc2F)C1=O 409220674 DDCDGBFJKAKODA-DHZHZOJOSA-N 248.257 2.128 0 40 BEAB CCN(CC)CCOC(=O)c1ccc(F)cc1 2036882 FLZPJYSTEZNMFW-UHFFFAOYSA-N 239.290 2.324 0 40 BEAB CCOC(=O)CCCCCCCC(=O)O 2508032 MTRYLAXNDGUFAK-UHFFFAOYSA-N 216.277 2.365 0 40 BEAB biogenic,in-vitro O=C(O)c1ccc2sc(S)nc2c1 2573558 NLPZRWDNWKLLCI-UHFFFAOYSA-N 211.267 2.283 0 40 BEAB CCOc1ccc(Cl)cc1CC(=O)O 3750727 HXUUNPVRAVWBJW-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB CCC[C@H](O)[C@@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845869 XRVXEMNLTYHFFR-GBIKHYSHSA-N 244.331 2.196 0 40 BEAB biogenic COc1sc(SC)cc1C[C@H](C)N 4745313 ZTNLTVRVUCZHHK-LURJTMIESA-N 217.359 2.368 0 40 BEAB CCc1ccccc1NS(=O)(=O)CC 5924415 XCXJFHDYVCIKBU-UHFFFAOYSA-N 213.302 2.011 0 40 BEAB Cc1cc(C(=O)N2CCCCC2)c(C)n1C 8052099 JTUUEEZMOZRIJV-UHFFFAOYSA-N 220.316 2.268 0 40 BEAB CC[C@H](C)Oc1ccc(CO)cc1OC 8727750 GNTRQJPQMSVXJW-VIFPVBQESA-N 210.273 2.365 0 40 BEAB CCC[C@@H](Nc1ccccc1F)C(=O)O 8730657 JHRJRUBQTXBHQZ-SNVBAGLBSA-N 211.236 2.491 0 40 BEAB CCCCC(=O)NCc1nc2ccccc2[nH]1 9219519 GOSUQDHMTFKDNW-UHFFFAOYSA-N 231.299 2.369 0 40 BEAB O=C(O)CCN1CCC[C@H]1c1cccs1 12398757 XGTRKBFHUFLGOA-VIFPVBQESA-N 225.313 2.360 0 40 BEAB CCNC(=S)c1nc2ccccc2nc1C 16681754 PHESWTSPVQQDBH-UHFFFAOYSA-N 231.324 2.223 0 40 BEAB COc1ccccc1CNc1cn(C)nc1C 20350357 SGQFKPQAVAUDGT-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB O=C(Nc1ccccc1F)C1CCOCC1 24635590 JUKWMIBRWCJOTH-UHFFFAOYSA-N 223.247 2.191 0 40 BEAB S=c1[nH]nc2n1CCN2c1ccccc1 26421923 WYFDXQYBQFSRIO-UHFFFAOYSA-N 218.285 2.092 0 40 BEAB COCC(=O)N1CCCSc2ccccc21 32904990 LYEKIIJJZGGSQI-UHFFFAOYSA-N 237.324 2.162 0 40 BEAB N[C@H](c1ccccc1)C1(O)CCCCC1 34099952 QYZQCUZVVZWJDT-GFCCVEGCSA-N 205.301 2.382 0 40 BEAB Cc1cccc(C)c1NC[C@@H]1CCCN1 35822488 UWCWUCKPEYNDNV-LBPRGKRZSA-N 204.317 2.467 0 40 BEAB O=C(NCCOc1ccc(F)cc1)C1CCC1 36393946 ARYHZXYSMLICAY-UHFFFAOYSA-N 237.274 2.121 0 40 BEAB CC[C@H](N)C(=O)N[C@H](CC)c1ccc(C)cc1 37028321 PNFCUPMXIZEYMX-QWHCGFSZSA-N 234.343 2.300 0 40 BEAB in-vitro COC[C@@H](C)NCc1cc(C)cc(C)c1 37978637 PRUFVHVCVXFJHX-GFCCVEGCSA-N 207.317 2.428 0 40 BEAB COc1cc(OC)c2c(O)cc(O)cc2c1 38540833 XYSLPVXFJXCPJF-UHFFFAOYSA-N 220.224 2.268 0 40 BEAB Cc1ccccc1[C@@H](CN)N1CCCC1 38638679 YNHQWQAKKVJUNM-CYBMUJFWSA-N 204.317 2.091 0 40 BEAB OCC1CCN(c2nc3ccccc3o2)CC1 40444404 RPMJXQCGFYDCNF-UHFFFAOYSA-N 232.283 2.037 0 40 BEAB O=C(O)c1ccccc1COC1CCOCC1 40991575 UNKIPPGRAUVJET-UHFFFAOYSA-N 236.267 2.080 0 40 BEAB in-vitro O=C(c1ccc(CN2CCOCC2)cc1)C1CC1 43210871 IUWLNNWDEVXWPK-UHFFFAOYSA-N 245.322 2.112 0 40 BEAB CCOc1cccc(NCc2ncc[nH]2)c1 49715560 AGXLPTFEDAJHLF-UHFFFAOYSA-N 217.272 2.421 0 40 BEAB Cc1ccc(OCC(=O)NC(C)(C)C)c(C=O)c1 71408386 ZTXRYVVOPCGQMX-UHFFFAOYSA-N 249.310 2.101 0 40 BEAB C[C@H](O)c1cn(Cc2ccc(Cl)cc2)nn1 72160564 PXWXFSDBNAYILL-QMMMGPOBSA-N 237.690 2.033 0 40 BEAB O=C(O)C[C@H](c1ccccc1)[C@@H]1CCCCN1 72208307 AVJWUBUGVYRDJL-OLZOCXBDSA-N 233.311 2.387 0 40 BEAB Cc1nc(Br)ccc1[C@H](C)N 72224003 YKJIOGFWVDKVEV-YFKPBYRVSA-N 215.094 2.172 0 40 BEAB COc1cccc(C(=O)OCC2CC2)c1OC 78411310 TXLFPFRPFIHJSD-UHFFFAOYSA-N 236.267 2.271 0 40 BEAB CNCc1cc(C)n(C[C@H]2CCCO2)c1C 78582733 YCFZRPCQSQAJEJ-CYBMUJFWSA-N 222.332 2.003 0 40 BEAB c1ccc(CN(C[C@H]2CCCN2)C2CC2)cc1 79437985 AXIKROJKPGHWDS-CQSZACIVSA-N 230.355 2.403 0 40 BEAB CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2C)cs1 83830277 JLJMQNQZSFLJFT-WCBMZHEXSA-N 238.356 2.020 0 40 BEAB Cc1cnc(N2CCCC[C@@H]2C)c(N)c1 85425096 WZVOZBKADGDIQG-JTQLQIEISA-N 205.305 2.351 0 40 BEAB CCO[C@@H]1C[C@H](Nc2cnccn2)C12CCC2 96429654 LKBVWDNRTBOBSG-WDEREUQCSA-N 233.315 2.236 0 40 BEAB C[C@@H](CC(N)=O)N[C@@H]1CC[C@H](C)c2ccccc21 96486257 IBTZBNVEJUCUQT-COPLHBTASA-N 246.354 2.479 0 40 BEAB CC(C)(C)[C@H](CCO)NC(=O)c1ccsc1 97046218 XRNLNGZCFRFRHV-JTQLQIEISA-N 241.356 2.275 0 40 BEAB CC[C@@H](NCCn1ccnc1)c1c(C)noc1C 97111105 RFYCFBKSRKBLJX-GFCCVEGCSA-N 248.330 2.229 0 40 BEAB Brc1ccc2c(c1)[C@@H]1O[C@H]1C2 100235028 UAGHGQOZRFSNLO-IUCAKERBSA-N 211.058 2.445 0 40 BEAB COc1ccccc1[C@H]1OC(=N)C(O)=C1O 104239656 OMDYIJSSUNLXHH-SNVBAGLBSA-N 221.212 2.071 0 40 BEAB Cn1nccc1NC(=O)NCCC1=CCCCC1 109390429 JCHCCQXXFFAXLY-UHFFFAOYSA-N 248.330 2.432 0 40 BEAB COC(=O)[C@@]1(C)CC[C@@](C)(C(=O)OC)C1(C)C 217719491 VCILIHQXYYGSBR-BETUJISGSA-N 242.315 2.165 0 40 BEAB CCCNC(=O)c1ccc(NCCC)c(N)c1 225405827 OOTHZMJDOFQNPK-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB O[C@]1(c2ccc(F)cc2)CCC[C@H]2CNC[C@H]21 229943732 KADNKMBDWLQVRJ-GDLCADMTSA-N 235.302 2.033 0 40 BEAB COc1cc(N)cc(OC(F)(F)F)c1 238376453 WNXRSXDGYMBXSX-UHFFFAOYSA-N 207.151 2.176 0 40 BEAB CN(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 249070534 YGLMVCVJLXREAK-CSYMLDBXSA-N 222.332 2.082 0 40 BEAB in-vitro Cc1cnn(C)c1NCc1cnn(C(C)C)c1C 256054300 VUOKZEWFYNJRGW-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Cc1cccc(N(C)[C@H](C)C(=O)O)c1C 260680912 XSOUPBVAJSIMLE-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB Cc1cc(C)c2nc(N3CC[C@H](O)C3)sc2c1 881915910 FRTMZCVUIHTGBA-JTQLQIEISA-N 248.351 2.484 0 40 BEAB CC1CCN(S(=O)(=O)c2ccccc2)CC1 231413 BKTIHUUUEHVIEQ-UHFFFAOYSA-N 239.340 2.107 0 40 BEAB COc1ccccc1NC(=O)c1snnc1C 385508 FHWXGYMNCQHSLD-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB CC(C)(C)NS(=O)(=O)/C=C/c1ccccc1 1725431 NYBBWAJDRJTTAU-MDZDMXLPSA-N 239.340 2.375 0 40 BEAB O=C1OC(Cl)(Cl)c2ccccc21 1763570 CYLNFIBVIQITMU-UHFFFAOYSA-N 203.024 2.445 0 40 BEAB C[C@H](CC(=O)c1ccccc1F)C(=O)O 2539850 SDBOBCHEALYEEF-SSDOTTSWSA-N 210.204 2.119 0 40 BEAB in-vitro O=C(NC1=NCCS1)[C@H]1C[C@@H]1c1ccccc1 2737101 KRMDOGUODZDKRY-MNOVXSKESA-N 246.335 2.009 0 40 BEAB Nc1ccc2c(c1)nc1n2CCCCC1 3885527 AYNMZNDKCQYSAU-UHFFFAOYSA-N 201.273 2.345 0 40 BEAB in-vitro COc1cccc(/C=C/C(=O)O)c1OC(F)F 4206890 QFJVDKGNKHMEFX-AATRIKPKSA-N 244.193 2.394 0 40 BEAB CCCCNC(=O)Nc1cccc(C)n1 6783144 YJECJSBSZLVQEY-UHFFFAOYSA-N 207.277 2.312 0 40 BEAB O=C(O[C@H]1CCCC1=O)c1ccc(F)cc1F 7778359 LPWKJQGEAFOAGY-NSHDSACASA-N 240.205 2.243 0 40 BEAB CCCOc1ccccc1Nc1nncc(O)n1 7995028 SZYDXLONZZKEIB-UHFFFAOYSA-N 246.270 2.110 0 40 BEAB COc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1 8699012 CBMNAADKSPPWGJ-ZDUSSCGKSA-N 249.310 2.307 0 40 BEAB Cc1cc(N2CCCC2)c(C=O)cc1C=O 8701909 DBDHZMFJCLYUMV-UHFFFAOYSA-N 217.268 2.220 0 40 BEAB CC(C)(C)NC(=O)CNc1cc(F)cc(F)c1 9494981 FBLNGOHXWVQKGC-UHFFFAOYSA-N 242.269 2.291 0 40 BEAB CC(C)CC(=O)N1CCc2cc(C(=O)O)ccc21 13448564 RWKJANPGEWQNCI-UHFFFAOYSA-N 247.294 2.320 0 40 BEAB Cc1nn(C)cc1CNCCc1ccccc1 20312145 FFOSCTDFBZWIQK-UHFFFAOYSA-N 229.327 2.061 0 40 BEAB CCCn1ccc(NCc2cccn2C)n1 20351767 IEMUWBROJDRAHY-UHFFFAOYSA-N 218.304 2.244 0 40 BEAB CC(=O)Nc1ccc(N2CCCCC2)nc1 20360191 PNVZEFIAGCALRT-UHFFFAOYSA-N 219.288 2.030 0 40 BEAB OC1=Nc2n[nH]cc2[C@H](c2ccncc2)SC1 20721071 KAMBEVHECMHMDU-JTQLQIEISA-N 246.295 2.229 0 40 BEAB CSc1cccc(-c2nnc(N)o2)c1 26423862 UCRUZGIHPNWYGW-UHFFFAOYSA-N 207.258 2.041 0 40 BEAB in-vitro C[C@H](NC(=O)CCc1ccco1)c1ccncc1 27407865 BTXYYCHKTDKJFC-NSHDSACASA-N 244.294 2.485 0 40 BEAB OC[C@H](Cc1ccccc1)NCc1ccccc1 31561936 LHXDBXYWIPUULZ-INIZCTEOSA-N 241.334 2.380 0 40 BEAB C[C@H]1c2cccn2CCN1C(=O)C1CCC1 32753029 JFYNSPLVPRKYGZ-JTQLQIEISA-N 218.300 2.191 0 40 BEAB CC(C)c1noc(CSc2nncs2)n1 32905134 AEOHUGKKLGNREV-UHFFFAOYSA-N 242.329 2.337 0 40 BEAB c1ccc2oc(O[C@@H]3CN4CCC3CC4)nc2c1 34147276 ONZZUKINKMKNFG-CYBMUJFWSA-N 244.294 2.301 0 40 BEAB Cc1nc(Cl)c2cnn(-c3ccncc3)c2n1 35779538 QOIUMNODNUQZII-UHFFFAOYSA-N 245.673 2.172 0 40 BEAB O=C(/C=C/c1cccnc1)Nc1ccccn1 40051007 QILQPJFHMUUJIW-VOTSOKGWSA-N 225.251 2.129 0 40 BEAB CC[C@@H]1CN(C(=O)c2ccc(C)s2)CCO1 40062972 UUTYVTJEFJQVRH-SNVBAGLBSA-N 239.340 2.308 0 40 BEAB COCCSCC(=O)NC1CCC(C)CC1 40067491 ZNBWWMZBLFVAOI-UHFFFAOYSA-N 245.388 2.061 0 40 BEAB CC[C@@H](C)NC(=O)Nc1cccc(C(N)=O)c1C 40527097 WCPYLSBBXOVYDN-MRVPVSSYSA-N 249.314 2.014 0 40 BEAB CN(CCNc1nc2ccccc2o1)C1CC1 48287938 WGWXQENQKYUOER-UHFFFAOYSA-N 231.299 2.334 0 40 BEAB COC(=O)CC[C@@H](N)CC1CCCCC1 61893263 PGGHXJSPFWPOBV-LLVKDONJSA-N 213.321 2.237 0 40 BEAB O=C1OCC[C@H]1N[C@H](c1ccccc1)C1CCC1 69492647 IZMJJSKCWHQUQA-ZIAGYGMSSA-N 245.322 2.433 0 40 BEAB CCC(CC)C(=O)N[C@@H]1CCN(C(C)C)C1 69811682 WZORVCGEVKVABZ-GFCCVEGCSA-N 226.364 2.022 0 40 BEAB CCCCn1nc(CN)c2ccccc21 70630846 LBKWZCXLRFRHOJ-UHFFFAOYSA-N 203.289 2.295 0 40 BEAB CCCC[C@H](CC)CNC(=O)NOC 71802051 KUYDNCMSIMVXAB-VIFPVBQESA-N 202.298 2.063 0 40 BEAB Cc1cc([C@@H]2CCCCN2C)cnc1N 72218454 YFECOKMUPBSPOH-NSHDSACASA-N 205.305 2.129 0 40 BEAB Cc1cccc(CN2CCCN(C(C)C)CC2)n1 72350981 CDRDXRHKCMRXAT-UHFFFAOYSA-N 247.386 2.306 0 40 BEAB Cc1ccc(C)c(-c2noc([C@H](C)N)n2)c1 74110312 DIIPLDDWJSTUQX-VIFPVBQESA-N 217.272 2.373 0 40 BEAB NCc1cccc(C(=O)Nc2ccccc2O)c1 82698048 MHZPVMZJLSPCNX-UHFFFAOYSA-N 242.278 2.103 0 40 BEAB COC(=O)C1(Oc2ccccc2Cl)CC1 85393144 MUOOHQMUENBZNM-UHFFFAOYSA-N 226.659 2.424 0 40 BEAB COC[C@@H](C)NCCc1ccc(C)cc1 89736006 SNHYSXQBUNWUOC-GFCCVEGCSA-N 207.317 2.162 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@H](C)[C@@H](C)CO 95441342 ZGAHCYHKPHXQFJ-NWDGAFQWSA-N 235.327 2.050 0 40 BEAB C[C@@H](C[C@H](C)NC1CC1)NC(=O)OC(C)(C)C 95455491 JEAOYLBMACSRHH-UWVGGRQHSA-N 242.363 2.430 0 40 BEAB CCCn1cc(N[C@@H](C)CCn2cccn2)cn1 95996931 HCVYYQJDGUVGGY-LBPRGKRZSA-N 247.346 2.380 0 40 BEAB O[C@]1(CN2CCCC2)CSCc2ccccc21 96190446 KWPUKAAGSAAEPR-CQSZACIVSA-N 249.379 2.217 0 40 BEAB COC[C@H]1CCCN1C(=O)Cc1ccc(C)cc1 96451645 FMDQVKPDRPCEQH-CQSZACIVSA-N 247.338 2.175 0 40 BEAB CCc1ccc(CC)c(N[C@@H]2CCN(C)C2=O)c1 96459084 UTGZGYJFXNEYBH-CYBMUJFWSA-N 246.354 2.454 0 40 BEAB Cc1cnc(CSC2CCOCC2)o1 96484849 MBLYUIGKKMTPEO-UHFFFAOYSA-N 213.302 2.395 0 40 BEAB Cn1cc(CNc2nnc(CC(C)(C)C)o2)cn1 96495390 IDIUDDWNQRNORF-UHFFFAOYSA-N 249.318 2.004 0 40 BEAB CCSCc1nnc(C2CCC2)n1C 97083831 ASGOMOWXQBMGSO-UHFFFAOYSA-N 211.334 2.336 0 40 BEAB C[C@@H](O)C(=O)NC1(Cc2ccccc2)CCCC1 97113273 RAUMGKQAWQJBKF-GFCCVEGCSA-N 247.338 2.039 0 40 BEAB Cc1ncccc1CN(C)CCc1ccncc1 97375301 AWSUBLILZAGFOE-UHFFFAOYSA-N 241.338 2.460 0 40 BEAB CO/C=C(/F)C(=O)Nc1cccc(F)c1 98175033 AOANKWYCJCOTEW-RMKNXTFCSA-N 213.183 2.222 0 40 BEAB C[C@@H]1C[C@@H](C)CN(c2nc(N)cs2)C1 103693830 ODHVKMGMWUBVOX-HTQZYQBOSA-N 211.334 2.208 0 40 BEAB COc1ccc2cc(C(=O)CO)ccc2c1 168172330 MJCPFSPPNFTSMO-UHFFFAOYSA-N 216.236 2.023 0 40 BEAB CC(C)C(=O)n1cc(C(N)=O)c2ccccc21 216949215 ANZCNNRACDXJKC-UHFFFAOYSA-N 230.267 2.036 0 40 BEAB S=C(Nc1ncccn1)NC1CCCCC1 225176143 AHZQOMXCIMPYAG-UHFFFAOYSA-N 236.344 2.096 0 40 BEAB CCOc1cnc2cc(F)ccc2c1C(=O)O 685937708 XFRSKAWOQNCZGK-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB COCc1nccc(Oc2ccc(C)nc2)n1 892007074 DGEVHXOCIBWCFI-UHFFFAOYSA-N 231.255 2.119 0 40 BEAB Cn1ccc2c(Br)ncc(F)c21 953058819 AFNHYMKXQNTBGP-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC1(Cl)Cl 1535639469 DHQJRQCIVJMDBQ-RXMQYKEDSA-N 226.103 2.457 0 40 BEAB O=C(O)CCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 136236 CKPYPBHTUFDNQS-ASZHBFLOSA-N 224.300 2.183 0 40 BEAB CCCC(=O)NCCc1ccc(F)cc1 258585 NRYBMTRFUSRDAC-UHFFFAOYSA-N 209.264 2.285 0 40 BEAB biogenic c1ccc2c(c1)SCC[C@@H]2NC1=NCCO1 1639302 YEGCWAQTPNEBHN-JTQLQIEISA-N 234.324 2.199 0 40 BEAB C[C@H](CN(C)C)Oc1ccc2c(c1)C(=O)[C@H](C)C2 1675081 NWMZWVSNWLBQCA-GHMZBOCLSA-N 247.338 2.390 0 40 BEAB COc1c(Cl)cc(O)c(Cl)c1C(=O)O 2530761 XYHBJALHMANCCC-UHFFFAOYSA-N 237.038 2.406 0 40 BEAB CSc1ncc(C(=O)O)n1-c1ccccc1 3888357 NYRLRKPYIWJTTG-UHFFFAOYSA-N 234.280 2.292 0 40 BEAB CCNC[C@H]1CCN(Cc2ccccc2)C1 4203932 AMRNWWPARHIDHZ-CQSZACIVSA-N 218.344 2.118 0 40 BEAB in-vitro Cc1ccc(Nc2nc(C)cc(=O)[nH]2)c(C)c1 5625952 YZUBZLUIMSKWIS-UHFFFAOYSA-N 229.283 2.439 0 40 BEAB CC(=O)Nc1ccc(-n2cccc2C=O)cc1 8701927 NACYJEHTVPHKJB-UHFFFAOYSA-N 228.251 2.248 0 40 BEAB CCCCN1C(=O)c2ccccc2[C@H]1NC(C)=O 9434470 GGTUHFQHBYNASC-ZDUSSCGKSA-N 246.310 2.077 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)nn2C)cc1C 11801692 IXXHFHRGMPWAKN-UHFFFAOYSA-N 230.267 2.402 0 40 BEAB O=C(O)C1=NO[C@H](c2cccc(Cl)c2)C1 12399097 COPXHIMKUIIRKM-VIFPVBQESA-N 225.631 2.242 0 40 BEAB Clc1nss/c1=N\c1ccccn1 13402148 UMUVFNVCTHWWQW-YFHOEESVSA-N 229.717 2.485 0 40 BEAB CCNC(=O)c1cccc(NC(=O)CC(C)C)c1 14247214 SPAPSZJTFVQTGK-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB CCC[C@H]1NC(=O)N(Cc2cccc(C)c2)C1=O 14345147 FWOZAMQZJCHSIB-GFCCVEGCSA-N 246.310 2.216 0 40 BEAB Cc1nc(C(C)(C)C)nc(S)c1C(=O)O 15513673 YZKGQBXEDVCEAX-UHFFFAOYSA-N 226.301 2.069 0 40 BEAB COc1cccc(-c2ncccc2C(=O)O)c1 16123662 ZRYTWHAZDNPNRQ-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CCCCc1c(O)nc(-c2ccco2)oc1=O 16639537 YVRPOZFIUOPITC-UHFFFAOYSA-N 235.239 2.343 0 40 BEAB CC(C)(C)c1nnc(Nc2ccccc2)[nH]c1=O 16776886 KJZHKKWIYQPONE-UHFFFAOYSA-N 244.298 2.206 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1 19840610 SZFJLDUWPWRMKN-NXEZZACHSA-N 228.336 2.042 0 40 BEAB in-vitro CCOc1ccccc1-c1[nH]ncc1C(=O)O 20439680 JSVBZOQAUIQGPC-UHFFFAOYSA-N 232.239 2.174 0 40 BEAB CC(C)(C)OC(=O)NCc1ccoc1C(=O)O 22014298 POUPISGHUIBHFV-UHFFFAOYSA-N 241.243 2.003 0 40 BEAB O=C(Oc1ccc2c(c1)OCO2)c1ccoc1 24472425 FBTCDHGLHALKDT-UHFFFAOYSA-N 232.191 2.228 0 40 BEAB Cc1cn2nc(N3CCCCCC3)sc2n1 26690457 JWTBATINCZWSLA-UHFFFAOYSA-N 236.344 2.480 0 40 BEAB CNc1ccc2c(c1Cl)CCNCC2 29060631 PNTVUHSRYAJNND-UHFFFAOYSA-N 210.708 2.070 0 40 BEAB CC(=O)c1cccc(-c2cc(C)nc(N)n2)c1 32587362 KDOAPIARJPHFNP-UHFFFAOYSA-N 227.267 2.237 0 40 BEAB CN1C(=O)CCc2ccc(Br)cc21 36294386 XVBPEXCFWANWIM-UHFFFAOYSA-N 240.100 2.358 0 40 BEAB C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=O)C1 37331849 NMIWPAMXCIMFPO-IJLUTSLNSA-N 209.333 2.476 0 40 BEAB in-vitro C[C@@H](CC(=O)O)NC(=O)CCC1CCCCC1 37416764 IWEPDAAAEGXPNG-JTQLQIEISA-N 241.331 2.326 0 40 BEAB Cn1cc(-c2ccccc2)cc1C(=O)O 38478327 ZCTZBXTZTAQFRU-UHFFFAOYSA-N 201.225 2.390 0 40 BEAB CCOC(=O)CC(=O)Cc1ccccc1C 39315181 LSNACRPTDXLMJD-UHFFFAOYSA-N 220.268 2.060 0 40 BEAB CCC(=O)N1CCO[C@H](c2ccccc2C)C1 41395307 WQWXLLDIFCHWIN-ZDUSSCGKSA-N 233.311 2.305 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1NCCc2ccccc21 43594504 BIBSWYPUCMKWBY-GFCCVEGCSA-N 233.311 2.215 0 40 BEAB CCCNc1nc2ccc(C)cc2c(=O)[nH]1 44138740 CDWADKBTZMKABJ-UHFFFAOYSA-N 217.272 2.053 0 40 BEAB in-vitro COc1ccccc1CN1CCCC[C@@H]1CN 44421392 VZEUTLYGXODXCP-CYBMUJFWSA-N 234.343 2.008 0 40 BEAB CC(=O)NCc1ccc(OC2CCCC2)nc1 46301221 IUUBTCPGRREWMO-UHFFFAOYSA-N 234.299 2.039 0 40 BEAB CCCNC(=O)c1ccc2oc(C)nc2c1 49676903 RPRFKLDPGRWIJC-UHFFFAOYSA-N 218.256 2.276 0 40 BEAB O[C@@H]1CCCC[C@@H]1Nc1ncnc2ccsc12 52007395 AMTKSFGJUZBUDW-WCBMZHEXSA-N 249.339 2.407 0 40 BEAB C[C@H]1CCC[C@H](NC(=O)CCCn2ccnc2)C1 58107433 OOSFNDWFGAIFOS-STQMWFEESA-N 249.358 2.358 0 40 BEAB O=C(O)[C@@H]1CCCC[C@H]1c1cccnc1 62569310 JVDWCSFNPJYXRT-WDEREUQCSA-N 205.257 2.440 0 40 BEAB NC[C@]1(CO)C[C@H]1c1ccccc1C(F)(F)F 62713609 GFGAEVYBDILOJL-QWRGUYRKSA-N 245.244 2.130 0 40 BEAB CCO[C@@H]1Cc2ccccc2C[C@@H](OCC)C1=O 68603485 PCVVUBXKJRVLQY-ZIAGYGMSSA-N 248.322 2.165 0 40 BEAB O[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 72206534 ATCSYVJYDYWRKP-ZDUSSCGKSA-N 232.258 2.381 0 40 BEAB CCOc1ccc(CNC(=O)C2CC2)cc1 74987129 RPBQROBSKXZKGH-UHFFFAOYSA-N 219.284 2.112 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 75244789 UJDPADYLZZKMRV-DTORHVGOSA-N 215.293 2.031 0 40 BEAB COc1ccc2[nH]c([C@H]3CCCCN3)nc2c1 75629702 IKDXGJAUCVXUIK-LLVKDONJSA-N 231.299 2.386 0 40 BEAB O=C(NCCc1cccc(F)c1)C1CC=CC1 77734293 JOAZKIZONVASAJ-UHFFFAOYSA-N 233.286 2.451 0 40 BEAB CCN(CCC(=O)O)Cc1c(F)cccc1F 83663366 LYYGMTZSDKHMTI-UHFFFAOYSA-N 243.253 2.261 0 40 BEAB CC[C@@H]1c2ccccc2CCN1C(=O)CCCN 83888229 RCSRWEBWBOJFGT-CQSZACIVSA-N 246.354 2.261 0 40 BEAB Cc1nccn1CCCNC[C@@H]1C[C@@H]2C=C[C@H]1C2 85303036 BKLYYGDFUQLEKM-ILXRZTDVSA-N 245.370 2.383 0 40 BEAB O=Cc1cncc(Br)c1Cl 91691983 LSNBFATWINWCAX-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB CC(C)=CCC[C@@H](C)CN1CCNCC1 96024391 JASACXKTGGBKTB-CYBMUJFWSA-N 210.365 2.274 0 40 BEAB CCc1nc(NC2(CO)CC2)c2ccsc2n1 96485319 DJVUFSMMIPLWBO-UHFFFAOYSA-N 249.339 2.191 0 40 BEAB C[C@H]1CNc2nn(-c3ccccc3)c(O)c2C1 110751773 OLWLGPFBVCFXMT-SECBINFHSA-N 229.283 2.182 0 40 BEAB C[C@H](N)c1ccc(OCC(F)(F)F)nc1 116931061 DBVQWDRJFZMDDL-LURJTMIESA-N 220.194 2.042 0 40 BEAB O=C1COc2cc(C(F)(F)F)ccc21 143435176 NYPVXCUFWKLCLX-UHFFFAOYSA-N 202.131 2.281 0 40 BEAB CC(=O)c1ccc(O[C@@H]2CCCO2)cc1 206268170 UVNMJKMSXURPNB-GFCCVEGCSA-N 206.241 2.405 0 40 BEAB CCn1c(C)c(CNC)c2cc(O)ccc21 223757997 LFLPBWHQKWHDNB-UHFFFAOYSA-N 218.300 2.395 0 40 BEAB Cn1c(Cl)nc2ccc(C(=O)NC3CC3)cc21 225987232 PKJVMCMKUCXXCO-UHFFFAOYSA-N 249.701 2.119 0 40 BEAB COC(=O)c1ccc(C(=O)C2CCC2)cc1 258197750 DGYBDPQFVUSQTB-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB CCCN1C(=O)N/C(=C/c2cccs2)C1=O 409227836 RSLXSBCQQATEEW-VQHVLOKHSA-N 236.296 2.051 0 40 BEAB Cc1ccc([C@H]2CNC[C@@H]2C(=O)O)c(Cl)c1 409424139 XREWDLFCKDAIMP-ZJUUUORDSA-N 239.702 2.036 0 40 BEAB Cc1csc(O[C@H]2CCC[C@@H]2N(C)C)n1 585651241 BMAPRCKARMANGY-UWVGGRQHSA-N 226.345 2.313 0 40 BEAB CN1CCC[C@H](COc2ccc(Cl)cn2)C1 585655216 XCBITZCQZMMSPS-JTQLQIEISA-N 240.734 2.456 0 40 BEAB c1cnc(CN[C@@H]2C[C@H]3CC[C@H](C3)C2)nc1 711066637 FHZBVJILWPGHKJ-GDNZZTSVSA-N 217.316 2.145 0 40 BEAB CC(=O)Nc1nc(-c2cccnc2)cs1 74788 RWKRWNGNLGKAGT-UHFFFAOYSA-N 219.269 2.164 0 40 BEAB CS(=O)(=O)Nc1ccc(Cl)c(Cl)c1 361788 NWZHHUBXSJEWMS-UHFFFAOYSA-N 240.111 2.365 0 40 BEAB S=C([C@H]1COc2ccccc2O1)N1CCCC1 536619 WBWKEVIKBCODCW-GFCCVEGCSA-N 249.335 2.250 0 40 BEAB CC(C)Cc1ccc([C@@H](N)CC(=O)O)cc1 537178 XGEJDTHTIFGUEZ-LBPRGKRZSA-N 221.300 2.360 0 40 BEAB biogenic Nc1ccc2oc(-c3ccccn3)nc2c1 793082 WBDNRGDGFKMSRB-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CCCCCC[C@H](C)OC(=O)[C@H](C)O 1591824 QOJLBDMAKOJFNZ-UWVGGRQHSA-N 202.294 2.269 0 40 BEAB COc1cc(CCC(C)=O)ccc1OC(C)=O 1672364 WZACUTBSCIVUCF-UHFFFAOYSA-N 236.267 2.142 0 40 BEAB Cc1nc2c3c(C)c(C)sc3ncn2n1 2731019 MMVQHPUDDSDHGS-UHFFFAOYSA-N 218.285 2.264 0 40 BEAB Cc1ccc(NC(=O)COC(=O)C2CC2)c(C)c1 3392903 CRQSOFMNCRBRHZ-UHFFFAOYSA-N 247.294 2.195 0 40 BEAB CC(C)(Cc1nc2ccccc2[nH]1)C(=O)O 3654652 YJOYXRINXOHSNM-UHFFFAOYSA-N 218.256 2.216 0 40 BEAB in-vitro C[C@@H](Cc1ccccc1F)N1CCC[C@H](O)C1 4021304 TUISGIQGIFZXPD-AAEUAGOBSA-N 237.318 2.213 0 40 BEAB COc1cccc(NC(=O)c2cnc(C)cn2)c1 6339666 ATIIWUVKLZSTIG-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CCc1ccc(NC(=O)C(=O)N[C@H](C)CC)cc1 9993372 INWDFWMBVROYJY-SNVBAGLBSA-N 248.326 2.102 0 40 BEAB COc1ccc(C)cc1C[C@H]1CCCN1 11630860 JBBOHENCLZKPLU-GFCCVEGCSA-N 205.301 2.298 0 40 BEAB CCCCNC(=O)c1cc2ccccc2c(=O)[nH]1 12973065 XRPMXVHXMAOVEW-UHFFFAOYSA-N 244.294 2.058 0 40 BEAB COc1ccc2[nH]cc(Br)c2n1 14985946 HSUOJZLKCIEBLJ-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro CC(C)OCCOCc1cccc(N)c1 19280890 GCMRPPMHAHJIIQ-UHFFFAOYSA-N 209.289 2.210 0 40 BEAB in-vitro CC[C@@H](c1ccc(F)cc1)N1CCNCC1 20264356 PBWGKTIIMAHBGI-ZDUSSCGKSA-N 222.307 2.182 0 40 BEAB in-vitro NC(=S)Nc1nc2c(F)cccc2s1 22124977 PWXSXGNNPVYZSC-UHFFFAOYSA-N 227.289 2.091 0 40 BEAB O=C(NCCc1cccnc1)c1cccs1 23874817 ZEWFDLZAJMLMGG-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB O=C(NCCCOc1ccccc1)NCC1CC1 29727322 ZFGXKZCGGBDSBF-UHFFFAOYSA-N 248.326 2.165 0 40 BEAB Cc1csc(CCNC(=O)c2ccco2)n1 31849008 IEYOQTFOBCFXOB-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB Cc1cc(Nc2ccc(N(C)C)nc2)nc(C)n1 32769923 KELXFGKRGSOVAQ-UHFFFAOYSA-N 243.314 2.298 0 40 BEAB N=C(N)Nc1ccc(F)c(C(F)(F)F)c1 34936088 GSLRNVZNTBHIHZ-UHFFFAOYSA-N 221.157 2.150 0 40 BEAB c1ccc(CN2CCC[C@H](NC3CC3)C2)cc1 36904499 KSJRWDWIFHZRLF-HNNXBMFYSA-N 230.355 2.403 0 40 BEAB NC[C@@H](c1ccccc1F)N1CCCCC1 38916564 INORNADMOBKASS-ZDUSSCGKSA-N 222.307 2.311 0 40 BEAB O=C(O)c1c2n(c3ccccc3c1=O)CCCC2 39269407 DGCUJLKALRRAPY-UHFFFAOYSA-N 243.262 2.036 0 40 BEAB O=C(O)c1ccccc1COc1cccnc1 42784239 RQKQMTIIYQABDD-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB COCCN(C)CCCc1ccccc1 46087423 VTBGIPNHCAYQIU-UHFFFAOYSA-N 207.317 2.197 0 40 BEAB c1cc2nnnn2nc1SCC1CCCCC1 58544674 CKJOHWMSMYTEQF-UHFFFAOYSA-N 249.343 2.192 0 40 BEAB Fc1cccc(-c2nc(C3CCNCC3)n[nH]2)c1 64875547 DXCBTSGOWYCSNF-UHFFFAOYSA-N 246.289 2.078 0 40 BEAB NCCCC1(C2OCCO2)CCCCCC1 71790408 UVHCOFKIACBCIP-UHFFFAOYSA-N 227.348 2.439 0 40 BEAB in-vitro CCN1CCC[C@@H](c2nc(C)cc(NC)n2)C1 72361103 MGQWTALZDBSPBV-LLVKDONJSA-N 234.347 2.026 0 40 BEAB Cn1cc(C(=O)NCCC2=CCCCC2)cn1 74716947 YXBFUROQYRJVHS-UHFFFAOYSA-N 233.315 2.040 0 40 BEAB O=C(Cc1ccncc1)Nc1ccccc1F 74725173 RRYQCVQVSUXFRS-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB COc1ccc(OCc2ccon2)cc1 76421763 ZAEHIXSZXQAARH-UHFFFAOYSA-N 205.213 2.262 0 40 BEAB CC(C)Cc1n[nH]c(N)c1-c1cccnc1 87617910 ONOWREWWAOZDTH-UHFFFAOYSA-N 216.288 2.252 0 40 BEAB O=C1[C@@H](SC2CCCC2)CCN1C1CC1 89818170 PIBOISKLYNDWTH-NSHDSACASA-N 225.357 2.426 0 40 BEAB CCn1ccnc(Nc2ccccc2)c1=O 90997948 TWTPIFQFXJDCLT-UHFFFAOYSA-N 215.256 2.007 0 40 BEAB Cc1ocnc1CNC(=O)NC1CCCCC1 92760100 BHVVFKYTIRFKCH-UHFFFAOYSA-N 237.303 2.115 0 40 BEAB O=C(O)c1c(F)ccc(C(F)(F)F)c1O 97439016 SQSGOOMFPXSSQH-UHFFFAOYSA-N 224.109 2.248 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H](CN)c2ccccc21 98180710 FLRGVFQWIPNTAJ-SNVBAGLBSA-N 248.326 2.484 0 40 BEAB in-vitro CCCCNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 107158860 NRIZQQUHYQQDSL-UKKRHICBSA-N 222.332 2.130 0 40 BEAB CCN(CC)[C@@H](Cc1ccccc1C)C(=O)O 107843804 IHUODCPUTIRIQR-ZDUSSCGKSA-N 235.327 2.333 0 40 BEAB C[C@@H](Cc1ccc(O)cc1)NC1CCC(N)CC1 130541476 RDKUBGDHTAVLSH-XGNXJENSSA-N 248.370 2.183 0 40 BEAB CCCN(c1ccccc1)[C@H](C)C(=O)O 166288497 ORMVNTQVUJYMFW-SNVBAGLBSA-N 207.273 2.376 0 40 BEAB CCOC(=O)c1cc2c([nH]1)CCC(F)(F)C2 168056053 XQYNCEUOKCUTSX-UHFFFAOYSA-N 229.226 2.315 0 40 BEAB C[C@@H](NN)c1ccc(C(F)(F)F)cc1F 199535615 WUWZLJBONWLMKC-RXMQYKEDSA-N 222.185 2.369 0 40 BEAB CCOc1nc2ccc(OC)cc2cc1C=O 224967863 GGKZHWRYSIFKFF-UHFFFAOYSA-N 231.251 2.455 0 40 BEAB COC(=O)C[C@H]1COc2cc(C)ccc21 260884023 GCGSNIJFPMFHPI-VIFPVBQESA-N 206.241 2.034 0 40 BEAB Fc1ccc(-c2cn(C3CCOCC3)nn2)cc1 575606878 UVIBBKGKIZDMEX-UHFFFAOYSA-N 247.273 2.436 0 40 BEAB CCCCCOCC(=O)NOc1ccccc1 585142410 WPMNVBGTQQGHLS-UHFFFAOYSA-N 237.299 2.303 0 40 BEAB Cc1nnc(C(C)C)n1N1[C@H]2CCC[C@@H]1CC2 1776011281 GACHAIVJVCTKDF-TXEJJXNPSA-N 234.347 2.363 0 40 BEAB Cc1cc(-c2nnc(C(F)F)o2)ccn1 2362801552 RWWDDFTVGADBSE-UHFFFAOYSA-N 211.171 2.378 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(OC)cc1OC 288836 INFDYEGHDMXGDI-VIFPVBQESA-N 237.299 2.232 0 40 BEAB CCOC(=O)[C@]1(C)CCCC(C)(C)C1=O 1081356 JXCZRFBBEUNPTN-GFCCVEGCSA-N 212.289 2.335 0 40 BEAB On1c(-c2ccccc2)nc2ncccc21 1396596 GCFISBPLDOPPCX-UHFFFAOYSA-N 211.224 2.336 0 40 BEAB Nc1ccc2c(c1)C(=O)c1cccc(C(=O)O)c1-2 1705953 WZLLPANXQHVFKB-UHFFFAOYSA-N 239.230 2.178 0 40 BEAB O=C(NC1CC1)NC12CC3CC(CC(C3)C1)C2 4477918 NLLLVVJKVDDYTD-UHFFFAOYSA-N 234.343 2.417 0 40 BEAB OCn1nc(-c2cccc(Cl)c2)oc1=S 4672660 HNBKWRBEXIQDRF-UHFFFAOYSA-N 242.687 2.476 0 40 BEAB Cc1ccc(O)c(C(=O)Nc2ccncc2)c1 8746828 FRPKSIJGAKEKTR-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB in-vitro COCCCn1c(S)nnc1-c1ccccc1 13483210 XNNPZQCAPWXDTP-UHFFFAOYSA-N 249.339 2.270 0 40 BEAB CC[C@](C)(C(=O)OC)N1C[C@@H](C)C[C@@H](C)C1 22123486 IMWNBBNBQVEZCR-NTZNESFSSA-N 227.348 2.306 0 40 BEAB CC[C@@H](C)[C@@H]1N=C(O)N(C2CCCCC2)C1=O 28117252 GTKOHXKZTJRLKJ-KOLCDFICSA-N 238.331 2.490 0 40 BEAB CC(C)CNC(=O)[C@@H](C)Sc1ccccn1 32774302 RVUPUEWPXNMPOF-SNVBAGLBSA-N 238.356 2.334 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)o1 33024052 HSLOQPQVCFLQIG-GZMMTYOYSA-N 207.273 2.202 0 40 BEAB CC(C)C[C@@H]1C(=O)NCCN1Cc1ccccc1 34079060 KZUHOWKEJQQSOL-CQSZACIVSA-N 246.354 2.033 0 40 BEAB CCOC(=O)C(C)=C1CCC2(CC1)OCCO2 34602225 LNZFOEZRSXUJFJ-UHFFFAOYSA-N 240.299 2.183 0 40 BEAB COC(=O)CCCOc1ccc(OC)cc1 37246961 MDQSVCZFVQMZMA-UHFFFAOYSA-N 224.256 2.027 0 40 BEAB CCN1CCN[C@H](c2ccccc2)C1(C)C 39102017 DLWQVUKPXRXNAM-CYBMUJFWSA-N 218.344 2.431 0 40 BEAB O=Cc1cnn(-c2c(F)c(F)cc(F)c2F)c1 40449010 LIXAUSFQHGJDJP-UHFFFAOYSA-N 244.147 2.241 0 40 BEAB Clc1cccc(OC[C@@H]2CCCN2)c1 41225956 BCJVYIXLRDWAFR-JTQLQIEISA-N 211.692 2.471 0 40 BEAB COc1cccc([C@H]2CCCN2C(C)=O)c1 42009787 BTTYWNVACUVDJT-CYBMUJFWSA-N 219.284 2.379 0 40 BEAB CC(C)CNC(=O)Nc1nnc(C2CC2)s1 43360377 WBPDXBNNKKCTQN-UHFFFAOYSA-N 240.332 2.193 0 40 BEAB NC(=S)c1cccc(OC(F)(F)F)c1 44960016 KGDKLGFSPGGSRL-UHFFFAOYSA-N 221.203 2.219 0 40 BEAB CO[C@@H](CCO)c1nc2ccccc2s1 45237830 LJQNEQDXUHGLHH-VIFPVBQESA-N 223.297 2.366 0 40 BEAB Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)O)c1 49258548 LFCZHHLXSJFIIM-QFYYESIMSA-N 240.324 2.025 0 40 BEAB Cc1ccc(Nc2cc(N)nc(C)n2)cc1 49467250 GLLJWMUUBQUVQK-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB Cc1noc(C)c1COC(=O)c1ccoc1 57896791 DBIMMKPEEVCQSM-UHFFFAOYSA-N 221.212 2.241 0 40 BEAB O=C(O)c1ccc(Cc2nccs2)cc1 58235729 YSGFKOQTPNKCKZ-UHFFFAOYSA-N 219.265 2.432 0 40 BEAB COc1ccc([C@@H](N)C2CCOCC2)cc1 61671352 QGVQOCJNKXAXSG-CYBMUJFWSA-N 221.300 2.122 0 40 BEAB in-vitro CC/C=C/COC(=O)[C@H]1C[C@H]1c1cnn(C)c1 71859291 XIZCHDVRYIZLJD-XMXMHJJKSA-N 234.299 2.033 0 40 BEAB CCOC(=O)c1c(C)n[nH]c1CC(C)C 72220728 MFGKSRRZJHYSQE-UHFFFAOYSA-N 210.277 2.093 0 40 BEAB Cc1cc(CN)cnc1N(C)Cc1ccccc1 72222352 CVSQFNMELFASBL-UHFFFAOYSA-N 241.338 2.485 0 40 BEAB c1ncc([C@@H]2CCCN2)nc1NC1CCCC1 72386454 ROJHDPKETSUQPB-NSHDSACASA-N 232.331 2.256 0 40 BEAB COc1ccnc(C2(CN)CCCCC2)c1 75089843 HABHKVWUIKTQTQ-UHFFFAOYSA-N 220.316 2.251 0 40 BEAB CC(C)=CC(=O)NC[C@@](C)(O)c1ccsc1 80892087 MOFQEVQZLJVOIB-GFCCVEGCSA-N 239.340 2.038 0 40 BEAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCN 83902978 KFHCUOCJBNGTED-UHFFFAOYSA-N 246.354 2.438 0 40 BEAB CC(C)(C)ONC(=O)[C@H]1COc2ccccc2C1 89694317 HBEJGRVFVAXAEZ-LLVKDONJSA-N 249.310 2.084 0 40 BEAB CCOCCCC(=O)Oc1cccnc1Cl 89986903 FEWPDWPGOZSFKQ-UHFFFAOYSA-N 243.690 2.457 0 40 BEAB CC(C)[C@@](C)(O)c1ccc2c(c1)OCO2 95739010 ZHUCQZXLVHJYJS-GFCCVEGCSA-N 208.257 2.279 0 40 BEAB O=C(COc1ccccc1)N1CCC2(CC1)CC2 96078086 MQKLSVOFYVDUDS-UHFFFAOYSA-N 245.322 2.468 0 40 BEAB Cc1cccc(OC(=O)c2cnn(C)c2)c1F 96500282 QPTLKSNGJCMPQW-UHFFFAOYSA-N 234.230 2.087 0 40 BEAB O=Cc1cnn(CCC(F)(F)C(F)(F)F)c1 96509074 XHMVCFOIRJOZTB-UHFFFAOYSA-N 242.147 2.283 0 40 BEAB C[C@@H]1CC[C@@H]1COc1ccc(C(=O)O)cn1 96526333 JUJIAYNGADBWRB-PSASIEDQSA-N 221.256 2.205 0 40 BEAB CCCn1cc(CNc2nc(C(C)C)no2)cn1 97045541 YWWAQRJTJUUDNT-UHFFFAOYSA-N 249.318 2.412 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1sccc1C 97137077 HOGBAILEPVCSNJ-MRVPVSSYSA-N 242.296 2.165 0 40 BEAB O=C(C1=CCCC1)N1CCO[C@H]2CCCC[C@@H]21 98019371 ZOWLLORORZDOLK-STQMWFEESA-N 235.327 2.267 0 40 BEAB CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 146969120 VXQSHEYOZVLRDD-ZJUUUORDSA-N 229.320 2.278 0 40 BEAB CC[C@H](C)OCCOCC(F)(F)F 200411517 ORVAWPBHEBVHKE-ZETCQYMHSA-N 200.200 2.380 0 40 BEAB Fc1ccc2c(c1Br)OCCO2 216746411 XESXMEWTTOZACV-UHFFFAOYSA-N 233.036 2.359 0 40 BEAB C[C@H](O)CN(C)CC[C@@H](C)c1ccccc1 225584947 AKXCCFVLJCTBRE-OLZOCXBDSA-N 221.344 2.493 0 40 BEAB CC[C@@H](C)n1ccc(NCc2cnn(C)c2)n1 256050397 DVQQMMFIRMKTNC-SNVBAGLBSA-N 233.319 2.200 0 40 BEAB O=C(CC1=CCCCC1)Nc1cnccc1CO 270926796 KXOHKLHTMLTPOU-UHFFFAOYSA-N 246.310 2.403 0 40 BEAB N=c1nc(N2CCCC2)c(C(F)F)c(Cl)[nH]1 575629228 MUXVGAPOCOUNJZ-UHFFFAOYSA-N 248.664 2.080 0 40 BEAB c1cnc(CNc2ncnc3ccccc23)nc1 702323164 HCMOZWVGAWHKNK-UHFFFAOYSA-N 237.266 2.032 0 40 BEAB NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775977086 FXKWSQSLUPJGKA-GFCCVEGCSA-N 219.309 2.407 0 40 BEAB CC[C@@H](C)NC(=O)NCc1ccc(F)cc1 137460 YFITXJHPFXVUIO-SECBINFHSA-N 224.279 2.423 0 40 BEAB CC(=O)c1cc(O)c2ccccc2c1O 1703286 CKLPUCARSNJTSJ-UHFFFAOYSA-N 202.209 2.454 0 40 BEAB CCCc1nc(OC(C)=O)n(-c2ccccc2)n1 3845664 IVKIUTNDKLEANP-UHFFFAOYSA-N 245.282 2.145 0 40 BEAB biogenic Cc1nc2nc(C)c(Br)cc2[nH]1 5955959 CMEWLDQFLSXJAG-UHFFFAOYSA-N 226.077 2.337 0 40 BEAB Cc1ccc(C)c(C[C@H](O)CNCC(C)C)c1 6522323 BAOQPSLEFOGGTO-HNNXBMFYSA-N 235.371 2.452 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1C 12984715 FTVIOYWIJQZVJZ-KCJUWKMLSA-N 247.294 2.376 0 40 BEAB Cc1ccc(C)c(S(=O)(=O)N2CCCC2)c1 13946755 TVDDDFXJPLWHDW-UHFFFAOYSA-N 239.340 2.088 0 40 BEAB CC(C)C(=O)Nc1ccccc1C(=O)NC1CC1 16015553 HUXISJPAIIHNQX-UHFFFAOYSA-N 246.310 2.173 0 40 BEAB C[n+]1ccc(/C=C\c2ccc3c(c2)OCO3)cc1 16920076 LJLSLTZSSJRLMY-IHWYPQMZSA-N 240.282 2.410 0 40 BEAB Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 19385939 XQBUCLWQYIVPHD-UHFFFAOYSA-N 234.686 2.132 0 40 BEAB CC(C)Nc1ccc(N2CCOCC2)cc1 20143828 WYZBSJRPNJGDJW-UHFFFAOYSA-N 220.316 2.344 0 40 BEAB in-vitro CC(C)(C)NC(=O)Nc1ccc(C(=O)O)cc1 20256524 DZBZQKYVJVPROE-UHFFFAOYSA-N 236.271 2.305 0 40 BEAB O=C(NCCc1ccccn1)c1ccc(F)cc1 21773650 YXSTZUDQEIXXGH-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB O=C(Cc1cccc(F)c1)Nc1ncccc1O 22261990 YQHUUXBAKJKZDI-UHFFFAOYSA-N 246.241 2.108 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 23055792 FAGFCRKWFOEFIR-VIFPVBQESA-N 235.283 2.442 0 40 BEAB COC(=O)c1cccnc1N1CCC(C)CC1 32895061 NCPLOAIFJTXIMA-UHFFFAOYSA-N 234.299 2.105 0 40 BEAB CC(=O)c1cc(OCc2ccccc2)no1 34109508 DGXOIXOLVKJYQB-UHFFFAOYSA-N 217.224 2.456 0 40 BEAB CS(=O)(=O)Oc1ccc(C(F)(F)F)cc1 34614658 USSPAXCYRHZSFF-UHFFFAOYSA-N 240.202 2.044 0 40 BEAB COC(=O)[C@@H](C)CN[C@H](C)c1ccccc1 35133482 KIJCPIKSICZNKI-WDEREUQCSA-N 221.300 2.146 0 40 BEAB CCCCC(=O)N1C[C@H](C)OCC1(C)C 36075946 JHSSYUJNQRTNCJ-JTQLQIEISA-N 213.321 2.203 0 40 BEAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)n(C)n1 36397448 MZXQBSZPHJMPIF-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CC[C@H](NCCC(=O)O)c1cccs1 36891869 ZKSLZUYLPJOGPC-QMMMGPOBSA-N 213.302 2.264 0 40 BEAB Cc1c(-c2ccc3c(c2)OCCO3)noc1N 36937138 SBDBRCWGBCURPU-UHFFFAOYSA-N 232.239 2.003 0 40 BEAB O=C1CCN(c2cccc(Br)c2)C1 37239779 HGFDCWZZKOGGKT-UHFFFAOYSA-N 240.100 2.228 0 40 BEAB in-vitro Cc1ccc(NC(=O)N2CCOC[C@@H]2C)cc1 40505491 LSLGZGMIMPGLAS-NSHDSACASA-N 234.299 2.248 0 40 BEAB CC(C)=CCS(=O)(=O)Cc1c(C)noc1C 40556030 FMFSVPARESWCMV-UHFFFAOYSA-N 243.328 2.172 0 40 BEAB CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 41194560 IBDMIFOARPMDBY-WDEREUQCSA-N 225.332 2.203 0 40 BEAB CCCc1ccc(O[C@H]2CCNC2)cc1 42782881 KLVUEIHCRJEBJV-ZDUSSCGKSA-N 205.301 2.380 0 40 BEAB O=C(c1cccc(F)c1)N1CCSC1=S 49830536 TTXDWIWBVFIDJB-UHFFFAOYSA-N 241.312 2.300 0 40 BEAB O=C(O)c1ccc(NCCc2ccccn2)cc1 50913063 ZERPSBYNMZTSBZ-UHFFFAOYSA-N 242.278 2.434 0 40 BEAB O=C(NCC(F)(F)F)C1(c2ccccc2)CC1 58279640 MFAYFZTWKAFYGC-UHFFFAOYSA-N 243.228 2.397 0 40 BEAB COC[C@@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 58283589 RKKDJOJSSLBGMY-WOPDTQHZSA-N 239.359 2.376 0 40 BEAB COP(=O)(CC(=O)c1ccccc1F)OC 59027984 ZSEBUGQVRKZURV-UHFFFAOYSA-N 246.174 2.494 0 40 BEAB CC(C)OCc1cc(C(=O)O)ccc1F 62761025 VDAAMTSUFBSDMP-UHFFFAOYSA-N 212.220 2.449 0 40 BEAB c1cnc2ccc(C[C@@H]3CNCCOC3)cc2c1 72344407 OLTLEYYHQWUCTF-CYBMUJFWSA-N 242.322 2.013 0 40 BEAB C[C@@H](SCC(N)=O)c1cccs1 77961220 GXYUFRGGMAGRRN-ZCFIWIBFSA-N 201.316 2.028 0 40 BEAB N[C@@H](CCc1ccc(Cl)c(Cl)c1)C(=O)O 84079269 PHCCQGLRCCLUBD-VIFPVBQESA-N 248.109 2.338 0 40 BEAB CCC(=O)NCCc1csc(C(C)C)n1 84718682 JCQZSBLDFBYFOZ-UHFFFAOYSA-N 226.345 2.335 0 40 BEAB CC(C)c1c(N)nnn1Cc1ccccc1 86492437 XHSNMQDXMNRJGJ-UHFFFAOYSA-N 216.288 2.032 0 40 BEAB CCc1oc(C(=O)N2CCCC2)cc1C 89280260 VJFHQFHSSFYGKS-UHFFFAOYSA-N 207.273 2.386 0 40 BEAB N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 95636606 CIEHRJIQZOVKEV-QMMMGPOBSA-N 239.624 2.351 0 40 BEAB Cc1cc(C)cc(Oc2nn(C)cc2N)c1 95836611 RYZQOQLKTMSYAI-UHFFFAOYSA-N 217.272 2.411 0 40 BEAB CSc1ncc(C)c(Br)n1 95935552 DDCFRWPMUXIMGO-UHFFFAOYSA-N 219.107 2.269 0 40 BEAB O=C1[C@H]2[C@@H](C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]13)[C@H]1C=C[C@H]2C1 100078046 ZCJHLBHJGLCVRU-PHDVOYOTSA-N 240.302 2.015 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2O 102137354 MRMYRYLVMIZVQM-GARJFASQSA-N 241.331 2.157 0 40 BEAB COc1ccccc1CN1[C@H]2CC[C@H]1CC(=O)C2 107903111 PWOWKSVSCYZIOG-STQMWFEESA-N 245.322 2.391 0 40 BEAB O=C1CCCC[C@@H]1C(=O)CC(F)(F)F 115018100 SFOZPJBOPXYQMA-LURJTMIESA-N 208.179 2.267 0 40 BEAB COCCNC(=S)Nc1ccc(F)c(C)c1 122408340 ZPDMTTDJLUQZBY-UHFFFAOYSA-N 242.319 2.067 0 40 BEAB C[C@H](CO)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 128768690 JUAGDNMRVSRYBP-HNCHTBHHSA-N 211.349 2.172 0 40 BEAB C[Si](C)(CCC(=O)O)c1ccccc1 195753906 IJDJDIIVBNGSCD-UHFFFAOYSA-N 208.333 2.077 0 40 BEAB NC[C@H](F)c1ccc(Br)cc1 211948216 BANSITREVGYIDM-QMMMGPOBSA-N 218.069 2.418 0 40 BEAB O=C1CCOc2c(Cl)ccc(F)c21 238634453 CPSAUOIYWLCFQQ-UHFFFAOYSA-N 200.596 2.444 0 40 BEAB O=C(NCCCc1cnoc1)c1ccsc1 244909676 AQVSLMZKPPKKGE-UHFFFAOYSA-N 236.296 2.099 0 40 BEAB CN1[C@H]2CC[C@@H](CC3CCNCC3)[C@H]1CC2 252494431 NVLCTBZIWTVAPI-MELADBBJSA-N 222.376 2.249 0 40 BEAB Cc1nc(OC[C@@H]2CCCO2)sc1C 585652048 KHGKYNBULSSLMO-VIFPVBQESA-N 213.302 2.318 0 40 BEAB CC(C)Oc1cc(F)c(C(=O)O)c(F)c1 642814856 ZVVGOERORRXUHH-UHFFFAOYSA-N 216.183 2.450 0 40 BEAB CCOc1nc2ccc(OC)cc2cc1N 685938738 VHAVXZWOKZBQPB-UHFFFAOYSA-N 218.256 2.224 0 40 BEAB COc1cccc(C(=O)Nc2nnc(C)s2)c1 353952 UGPMQUSFCMNYID-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB O=C(O)/C=C/Sc1ccccc1C(=O)O 1625705 ONAAIWDZSUXJJZ-AATRIKPKSA-N 224.237 2.075 0 40 BEAB CC(=O)OC[C@H]1CO[C@H](/C=C/c2ccccc2)O1 1628391 DKIWWNQKPRLOOH-SWICKSTGSA-N 248.278 2.004 0 40 BEAB C[C@H]([C@H](O)c1ccccc1)[n+]1ccccc1 1712268 YFPQJXQDJMCHQA-OCCSQVGLSA-N 214.288 2.269 0 40 BEAB S=C(Nc1ccccc1)NN1CCCCC1 1758607 POEJBXKAZYKWFI-UHFFFAOYSA-N 235.356 2.374 0 40 BEAB O[C@@H](c1cccc2ncccc12)[C@H]1CCCCN1 1873720 GLUILMXLFMYLMU-CABCVRRESA-N 242.322 2.410 0 40 BEAB O=C(/C=C/c1ccco1)O[C@@H]1CCCCC1=O 3338980 CQOVNZAPAGORCD-ABZNLYFFSA-N 234.251 2.348 0 40 BEAB C[C@@]1(O)Cc2cccc(Br)c21 3848069 IPHJYIXICGXZSG-SECBINFHSA-N 213.074 2.213 0 40 BEAB biogenic Cc1cc(-c2ccnc3ncnn23)c(C)s1 4038043 AGJYDKYUYVLURT-UHFFFAOYSA-N 230.296 2.470 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C1CCCCC1 6657229 AXKKQSLZEBXQJI-LFSVMHDDSA-N 247.338 2.350 0 40 BEAB Cc1ccc(Cc2nnc(N)s2)cc1C 9286985 OAHLIDKIPKNLMB-UHFFFAOYSA-N 219.313 2.328 0 40 BEAB CC(C)[C@@H](C(=O)O)N1CCc2ccccc2C1 11801223 FKHOVIRCWJBQHY-ZDUSSCGKSA-N 233.311 2.154 0 40 BEAB in-vitro Cc1cc(Cl)ccc1OCC(=O)N1CCC1 12978771 LQFGEVLXKJEKRM-UHFFFAOYSA-N 239.702 2.260 0 40 BEAB c1cc2c(c(O[C@H]3CCNC3)c1)CCCC2 14632077 ICODQZPMSXUHEZ-LBPRGKRZSA-N 217.312 2.306 0 40 BEAB N[C@H]1CCCC[C@@H]1Oc1ccccc1F 19269878 QBRPQUPDBWIVMU-JQWIXIFHSA-N 209.264 2.474 0 40 BEAB in-vitro NC(=O)c1cc(Cl)ccc1Br 20154671 MUPYRHASLDDKJT-UHFFFAOYSA-N 234.480 2.201 0 40 BEAB O=C(O)Cc1cc2cc(Cl)ccc2[nH]1 20269256 AKEXCWHQCBKPQG-UHFFFAOYSA-N 209.632 2.448 0 40 BEAB in-vitro COc1ccc([C@@H]2C[C@H]2[C@@H](C)O)cc1OC 20392383 ASXMOCXJDQURGK-MIMYLULJSA-N 222.284 2.188 0 40 BEAB NC[C@H](Cc1cccc2ccccc12)C(=O)O 20579687 KJCNFUSUQWTOIN-LBPRGKRZSA-N 229.279 2.042 0 40 BEAB C[C@@H]1CN(c2ccc(N)cc2F)C[C@@H](C)O1 26515015 FOXDRQYNTAHYRU-RKDXNWHRSA-N 224.279 2.022 0 40 BEAB in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)O 26893717 UJNOLBSYLSYIBM-RHYQMDGZSA-N 228.332 2.371 0 40 BEAB CN(C(=O)CN1CCCCC1)c1ccccc1 32679773 DOORQKAGIKJSIH-UHFFFAOYSA-N 232.327 2.135 0 40 BEAB Cc1cccc2nc(C(=O)NCC(C)C)cn12 32819392 BKPPPAJOOFDXAA-UHFFFAOYSA-N 231.299 2.029 0 40 BEAB Cc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1 34925871 QNBFRRBMCSIZER-UHFFFAOYSA-N 229.235 2.049 0 40 BEAB in-vitro O=C(c1ccc(O)cc1)c1cccc(O)c1 38221268 LJQVLJXQHTULEP-UHFFFAOYSA-N 214.220 2.329 0 40 BEAB CCOc1cc(C=O)c2c(c1)C[C@H](C)O2 39947658 FKJFDKPQBHBNIH-QMMMGPOBSA-N 206.241 2.221 0 40 BEAB Cn1cccc1[C@H]1CCCN1C(=O)C1CC1 40473079 VWBMXTVOBAEAJY-GFCCVEGCSA-N 218.300 2.099 0 40 BEAB O=C(NCCc1ccccn1)[C@H]1CC=CCC1 40476498 IJXCDZRFZCLRKH-LBPRGKRZSA-N 230.311 2.097 0 40 BEAB CC(=O)Nc1cc(Cl)c(F)cc1N 43224382 MIKYTWIYRCVNRL-UHFFFAOYSA-N 202.616 2.020 0 40 BEAB Clc1ccccc1N1CCCNCC1 43461285 PUICLBZACXNDSP-UHFFFAOYSA-N 210.708 2.140 0 40 BEAB CCOC(=O)Cc1ccc(OC)c(C)c1 43503596 DNPQGUQGWRSDGD-UHFFFAOYSA-N 208.257 2.109 0 40 BEAB C[C@H](C(=O)O)[C@@H](N)c1ccc(Cl)cc1 44396307 AXYXMBPSIPRCSF-IMTBSYHQSA-N 213.664 2.061 0 40 BEAB CCCCCNCCC(=O)OC(C)(C)C 47218965 IPARCAWZVQLVLH-UHFFFAOYSA-N 215.337 2.498 0 40 BEAB C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)O 49815105 BZIXVZCPWVTUKP-HQJQHLMTSA-N 212.195 2.327 0 40 BEAB in-vitro CC[C@H](C(=O)N1CCNC[C@H]1C)c1ccccc1 54369892 OSAXFPZZSDMGBO-OCCSQVGLSA-N 246.354 2.001 0 40 BEAB CCCn1c(-c2ccccc2C)noc1=O 60349892 FYWNOODOBWCECN-UHFFFAOYSA-N 218.256 2.222 0 40 BEAB Cc1cc(C2=NCCC2)cnc1N(C)C 72218601 GAFWGTMPTRUMIX-UHFFFAOYSA-N 203.289 2.039 0 40 BEAB Cc1nn(C(C)C)c(C)c1[C@H](C)OCCN 72219918 OXKIAGHSFWKFBR-NSHDSACASA-N 225.336 2.117 0 40 BEAB CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)O 72232933 HKDLSKFRNMSGJO-UHFFFAOYSA-N 245.319 2.401 0 40 BEAB in-vitro O=C(O)c1cc(Cc2ccccc2)ccn1 74142796 YECIYVPXIGMFHC-UHFFFAOYSA-N 213.236 2.371 0 40 BEAB COCCN[C@@H](C)c1ccn(C(C)C)c1 78406143 GLPMTPDWZPYYGF-NSHDSACASA-N 210.321 2.366 0 40 BEAB Cc1ccc(-c2nc(CN)c(C)o2)s1 82640762 GRIQFQAGMUJZCZ-UHFFFAOYSA-N 208.286 2.479 0 40 BEAB COC(=O)CCc1ccc(F)c(F)c1F 84932457 OKQANAYHLQLJHY-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB CN(C)[C@@H](CNC(C1CC1)C1CC1)C1CC1 89313858 DYGRBAJPFWJWTB-ZDUSSCGKSA-N 222.376 2.105 0 40 BEAB Nc1ccc(F)c(OC(F)(F)F)c1F 91301293 DLNBIWVODBUKEY-UHFFFAOYSA-N 213.105 2.446 0 40 BEAB CCCN1CC[C@@H](CNc2ncccc2F)C1 91457270 PTSPUSTVDHZEEP-NSHDSACASA-N 237.322 2.365 0 40 BEAB COc1cc(C=O)ccc1OC(F)(F)F 95082660 XAHZURBOVLDNLP-UHFFFAOYSA-N 220.146 2.406 0 40 BEAB Cc1cc(Cl)ccc1C(=O)/C=C\C(=O)O 95727027 CHXZILJQPHJMNS-PLNGDYQASA-N 224.643 2.472 0 40 BEAB C1=CC2(CCNCC2)CC[C@H]1N1CCCC1 96240261 SJNKUOCFLBEUDD-ZDUSSCGKSA-N 220.360 2.171 0 40 BEAB CCCc1csc(NC(=O)c2cc[nH]n2)n1 96489318 LFZNYYOFAUWLAU-UHFFFAOYSA-N 236.300 2.071 0 40 BEAB COC(=O)c1ccc(F)c(Cn2cc(C)cn2)c1 96500486 QCZJLCQDJJVXFF-UHFFFAOYSA-N 248.257 2.166 0 40 BEAB Clc1cccnc1OC1CCOCC1 97758335 YHMIHIRRCHTDQS-UHFFFAOYSA-N 213.664 2.293 0 40 BEAB C[C@@H]1CCCC[C@H]1N(C)CCn1ccnc1 119999346 ANXANKBEWPXVKS-CHWSQXEVSA-N 221.348 2.394 0 40 BEAB Cc1cc(CN2C[C@H]3CCC[C@@H]3C2)no1 152644767 YWSULRURAAIEMN-GHMZBOCLSA-N 206.289 2.215 0 40 BEAB C[C@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 222555836 OJCJSJJNJMHORN-WCABBAIRSA-N 233.340 2.318 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCc2cnoc2C1 575425863 YVXORRMSSSVGRM-VIFPVBQESA-N 238.287 2.057 0 40 BEAB FC[C@@H]1CCN(c2cc(C3CC3)ncn2)C1 882839427 QRUWOPQNGYHZKK-VIFPVBQESA-N 221.279 2.150 0 40 BEAB CCC(CC)(n1cccn1)n1cccn1 405264 IJEVKOQEOKVTQI-UHFFFAOYSA-N 204.277 2.101 0 40 BEAB C[C@H](CC[C@H](N)C(=O)O)CC(C)(C)C 1570985 LQPHHJWZDMPTML-BDAKNGLRSA-N 201.310 2.251 0 40 BEAB CC[C@@H](CN(C)C)C(=O)c1ccccc1 4765057 OLCRURYNYDPVOI-NSHDSACASA-N 205.301 2.457 0 40 BEAB Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 5204106 FFEOTVRMYUDXOF-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB in-vitro CCCC(=O)Nc1nc2ccccc2[nH]1 5385454 JUCJDWYJWGFMKW-UHFFFAOYSA-N 203.245 2.302 0 40 BEAB COc1ccc(/C=C/CCO)cc1OC 6018567 HJXARZMWFOEQTO-HWKANZROSA-N 208.257 2.099 0 40 BEAB biogenic CCc1nnc(S)n1-c1cccc(C(C)=O)c1 6395591 AZDLQWSRUBQWLU-UHFFFAOYSA-N 247.323 2.321 0 40 BEAB CCCCC(=O)c1c(O)cc(O)cc1O 14817882 HPBAQDWUBZVAMF-UHFFFAOYSA-N 210.229 2.176 0 40 BEAB CCc1ccccc1NC(=O)C1CCNCC1 19409331 IRXHNNMFEWRGCY-UHFFFAOYSA-N 232.327 2.187 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCCC[C@@H]1C 22538658 XCUSXHHSDBPAFM-QWRGUYRKSA-N 213.321 2.203 0 40 BEAB Cc1nc2ccc(-c3ccoc3)cc2c(=O)[nH]1 32519511 HBXBNLMKZWFIHV-UHFFFAOYSA-N 226.235 2.492 0 40 BEAB CN(CC1CCCCC1)C(=O)c1ccc(=O)[nH]c1 32753014 ARFWWDAYBQNDKW-UHFFFAOYSA-N 248.326 2.027 0 40 BEAB CC(C)n1nnc(-c2cccc(F)c2)n1 32759343 PMXMPACIMBONSL-UHFFFAOYSA-N 206.224 2.060 0 40 BEAB CN(C(=O)n1ccnc1)[C@@H]1CCc2ccccc21 32779444 ORAJYHYOCZDAOF-CYBMUJFWSA-N 241.294 2.471 0 40 BEAB Cc1cc(C)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 32843918 GTNNAWFIMMUUSZ-GHMZBOCLSA-N 249.358 2.004 0 40 BEAB C[C@@H](O)Cn1c(=S)[nH]c2ccccc21 33845625 DMDXJRMUNCFICA-SSDOTTSWSA-N 208.286 2.080 0 40 BEAB CCOC(=O)c1cncc(C(F)(F)F)c1 35569890 TTXCJFXCMQNOMR-UHFFFAOYSA-N 219.162 2.277 0 40 BEAB OCc1ccccc1Oc1cccnc1 36904281 FLSSCQCRCIJTOR-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB in-vitro O=C(C[C@H]1C=CCC1)NCc1cccnc1 40465309 HVQFDACZKWDPQD-NSHDSACASA-N 216.284 2.054 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)Cn2ccnc2)s1 42511358 DLTPFNMXBUDSKO-SECBINFHSA-N 249.339 2.072 0 40 BEAB Cc1cc(NC(=O)c2ccncc2)sn1 44454753 KESCINFHDGPNLV-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB C[C@H]1CO[C@H](C)CN1C(=O)CCc1ccccc1 45445956 HZLHZGMDFKMALW-QWHCGFSZSA-N 247.338 2.255 0 40 BEAB CC[C@H](C)c1noc([C@H]2CCCNC2)n1 57340784 LIRWVCGSRVEEHM-IUCAKERBSA-N 209.293 2.050 0 40 BEAB CC(C)COC(=O)[C@H](C)NC(=O)c1ccccc1 57971227 TUZNQHDOUFSITG-NSHDSACASA-N 249.310 2.004 0 40 BEAB CN(C)[C@@H](CO)c1ccc(OC(F)(F)F)cc1 70453122 MJFVIVZSVDXRIN-JTQLQIEISA-N 249.232 2.180 0 40 BEAB CCOC(=O)c1cn[nH]c1Cc1ccccc1F 71980864 GFALWOWWIKYRMX-UHFFFAOYSA-N 248.257 2.316 0 40 BEAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccccc2)o1 72227355 UNDJYBILXHRWCS-STQMWFEESA-N 242.278 2.003 0 40 BEAB COC(=O)c1ccc(CNc2ccc(C)cn2)o1 78261073 KQMRKOVTZHPJKC-UHFFFAOYSA-N 246.266 2.382 0 40 BEAB CNC(=O)c1cccc(CSc2ncc[nH]2)c1 79006659 IILLKGKJNSZJRQ-UHFFFAOYSA-N 247.323 2.062 0 40 BEAB C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1 83062115 MVYNIUVDGBXVIE-QMMMGPOBSA-N 228.698 2.277 0 40 BEAB in-vitro O=C1C[C@H](c2ccc(Br)cc2)N1 84128147 YSIKXVRYGIZALB-MRVPVSSYSA-N 226.073 2.010 0 40 BEAB in-vitro CCC(CC)(CN)C(=O)N1CCC(C)(C)C1 87251869 SOVOUAKDCLIQPI-UHFFFAOYSA-N 226.364 2.010 0 40 BEAB Brc1ccc2ncsc2n1 89229857 AFGZXGZVCNYHHJ-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB Fc1ccc(OCC2OCCO2)cc1Cl 95734013 WXHITZVONPKIPU-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB COC(=O)c1cc(C=O)cc(C(F)(F)F)c1 95764458 YFEHZLHUOABJFH-UHFFFAOYSA-N 232.157 2.305 0 40 BEAB C[C@H](NC(=O)c1cc(O)cc(O)c1)C1CCC1 97101999 OATAEOGIHATKKJ-QMMMGPOBSA-N 235.283 2.016 0 40 BEAB CCOc1cccc(NC(=O)NCC2CC2)n1 97143226 OJISFGIKJCYAST-UHFFFAOYSA-N 235.287 2.012 0 40 BEAB CN(C)C(=O)COc1ccc2c(c1)CCCC2 119074979 ITUWNOJYWZNCTD-UHFFFAOYSA-N 233.311 2.032 0 40 BEAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 131629547 CJAQGNWNALLARN-OLZOCXBDSA-N 219.284 2.043 0 40 BEAB COC(CN1Cc2ccccc2C[C@H]1C)OC 189047134 WMOUYRIFBVZTHV-LLVKDONJSA-N 235.327 2.052 0 40 BEAB Cc1ccc(C(CC(=O)O)CC(=O)O)s1 218315737 KOULVPJHMQAZKL-UHFFFAOYSA-N 228.269 2.090 0 40 BEAB CCO[C@H](Cc1ccccc1C)C(=O)O 220066849 XBDCGCNDZCAABW-LLVKDONJSA-N 208.257 2.027 0 40 BEAB CCc1cnn(-c2ccccc2F)c1N 220097455 XNSZKAGLKDBCPC-UHFFFAOYSA-N 205.236 2.156 0 40 BEAB N=C(Cc1cc(C(F)(F)F)ccc1F)NO 228915132 LOKJSAUWUUGEHE-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB O=C1OCOc2cc(Br)cc(F)c21 258837493 SKAAOGNDRBRKHJ-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB Cc1cncc(N2C[C@H]3CCC[C@@H]3C2)n1 302095871 JDRWPPVBNPQPES-GHMZBOCLSA-N 203.289 2.021 0 40 BEAB OC[C@H]1CCCN1c1ccc(C(F)(F)F)nc1 892073139 JVWBOKRTWADWEV-SECBINFHSA-N 246.232 2.062 0 40 BEAB COC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1 1240126466 YSMKPIXECLCTLJ-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)OCO2 362141 FCOULOMSMQQQQY-UHFFFAOYSA-N 207.229 2.154 0 40 BEAB O[C@@H](Cc1cccnc1)C(Cl)(Cl)Cl 494684 FPQQQXMBADMPTF-ZETCQYMHSA-N 240.517 2.355 0 40 BEAB O=C(Nc1cccnc1)c1cccnc1Cl 999422 ZLNUSEINZFHLBE-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2)c1ccccc1 1371935 WYWOKTMOHGMQKP-STQMWFEESA-N 244.338 2.090 0 40 BEAB Cc1occc1C(=O)Nc1ccncc1 1516906 YQBDLYFUZJNLDH-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB OCCCC[C@H]1CO[C@@H](Cc2ccccc2)O1 1677471 HBJMOXNNASYHFM-UONOGXRCSA-N 236.311 2.133 0 40 BEAB CCOC(=O)C1(C(=O)OCC)CCCC[C@@H]1C 1707395 MGCXPTONXMVEMP-JTQLQIEISA-N 242.315 2.309 0 40 BEAB C[C@H]1CN(c2cccc(Cl)c2)CCN1 3919779 GRBUTWWFTFQSMF-VIFPVBQESA-N 210.708 2.138 0 40 BEAB Cc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2C)cc1 4908975 OLCUMBNISUKLNG-CYBMUJFWSA-N 241.294 2.202 0 40 BEAB COc1ccccc1CC(=O)Nc1cccnc1 5335722 VKZRFTLEIWXWGT-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB Cc1cc(C)nc(SC(=O)c2ccccn2)n1 5725058 IZCXDMINPAFRQT-UHFFFAOYSA-N 245.307 2.421 0 40 BEAB COc1ccc2c(c1)[C@@H](CC(=O)O)CC2 6018774 ALAUISTUIQUUFF-SECBINFHSA-N 206.241 2.200 0 40 BEAB in-vitro C[C@]1(C(=O)N2CCCC2)CC1(Cl)Cl 6266515 WHCVBXWCWCPIOV-MRVPVSSYSA-N 222.115 2.193 0 40 BEAB Cc1onc(C(=O)NC2CCCCC2)c1C 13641078 BQMUJYLCQLIAAC-UHFFFAOYSA-N 222.288 2.354 0 40 BEAB CCc1cccc(C)c1NC(=S)NC 13788989 AIQYDTXNWSJHNR-UHFFFAOYSA-N 208.330 2.474 0 40 BEAB Cc1ccc(C(=O)NC2CCC(O)CC2)cc1 16291983 ZPHDAUHGMCQENX-UHFFFAOYSA-N 233.311 2.028 0 40 BEAB CC(C)COC(=O)Nc1cccc(N)c1 19815591 YLAXKIKEYZRKDE-UHFFFAOYSA-N 208.261 2.473 0 40 BEAB in-vitro O=C(Cn1cccn1)N1CCC[C@H]2CCCC[C@@H]21 32903897 CUXQUDCXAPCFDD-OLZOCXBDSA-N 247.342 2.064 0 40 BEAB CCN1CC[C@@H](CN[C@@H](C)c2ccccn2)C1 37643910 BEXFJZHWRAPRDI-STQMWFEESA-N 233.359 2.074 0 40 BEAB c1ccc2oc(OC[C@@H]3CCCNC3)nc2c1 51883211 DSVBPJYOOQCDBM-SNVBAGLBSA-N 232.283 2.206 0 40 BEAB Cc1cc(C2(O)CCN(C)CC2)ccc1F 55192421 XOAAHNVXDIOCCP-UHFFFAOYSA-N 223.291 2.047 0 40 BEAB CC(C)Cn1c(C(C)(C)C)ccc(CN)c1=O 62198914 JTQIEHRRHRBQIW-UHFFFAOYSA-N 236.359 2.261 0 40 BEAB CC(C)c1cccc2c1OCC[C@H](N)C2=O 62626080 WCXCDHZTGKZZSO-NSHDSACASA-N 219.284 2.103 0 40 BEAB OC[C@@H](Cc1ccccc1)NCc1ccsc1 63218136 MEEGFSUQEXBWLK-CQSZACIVSA-N 247.363 2.441 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cccn1C 69056645 CVUCTYYGFAFUEY-LLVKDONJSA-N 220.316 2.430 0 40 BEAB COCCCn1cc(C=O)c2ccccc21 70735349 UQFDWIPHFBIHPN-UHFFFAOYSA-N 217.268 2.490 0 40 BEAB CCOC(=O)c1nnc([C@H](C)CC)s1 72206865 LXTVPGALBBXMHK-ZCFIWIBFSA-N 214.290 2.228 0 40 BEAB c1cnc(N2CCCC2)c([C@@H]2CCCN2)c1 72215964 HKEVFEZGJLKJJV-LBPRGKRZSA-N 217.316 2.106 0 40 BEAB Cc1ccc(Cl)cc1S(C)(=O)=O 72233315 WECRCSHTOLLXKC-UHFFFAOYSA-N 204.678 2.052 0 40 BEAB Cc1cc(N)nc(Nc2cccc([C@H](C)O)c2)n1 75156674 OYEZOJTUAZFUAP-VIFPVBQESA-N 244.298 2.164 0 40 BEAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)NC1CC1 76092171 KHIOEEVGRLXWQS-VHSXEESVSA-N 228.361 2.074 0 40 BEAB Cc1noc(C)c1Cc1nc(C2CC2)no1 78774236 SYLXSQDCGHXJHN-UHFFFAOYSA-N 219.244 2.143 0 40 BEAB Nc1nnc([C@@H]2CCOc3ccccc32)s1 82557082 MDSGPZNCMYFUSM-MRVPVSSYSA-N 233.296 2.035 0 40 BEAB O=Cc1cnc2nc(N3CCCCCC3)oc2c1 85347924 MNTUOHFWAJCRAQ-UHFFFAOYSA-N 245.282 2.416 0 40 BEAB C[C@H]1C[C@@H](N[C@H]2CCCC[C@H]2C)CN1C 89927759 CVSGAHKFSQPRPO-XQHKEYJVSA-N 210.365 2.247 0 40 BEAB CCCC1(CNCc2ncc[nH]2)CCC1 89949907 RDAYNXHBQRMWOG-UHFFFAOYSA-N 207.321 2.470 0 40 BEAB C[C@]1(CO)CCCCN1Cc1ccccc1 95348020 LLESIGNGEUHSBR-CQSZACIVSA-N 219.328 2.424 0 40 BEAB C[C@H](CCO)Nc1cccc(C(F)(F)F)n1 96419438 JQSOKKHRWVUJDT-SSDOTTSWSA-N 234.221 2.283 0 40 BEAB C[C@@]1(NCC2OCCO2)CCCc2ccccc21 97045805 YMKWNDYMUXEVHR-OAHLLOKOSA-N 247.338 2.201 0 40 BEAB Cc1cc(COC(=O)c2ccoc2C)nc(C)n1 97110984 IPNGEULRGMNWSC-UHFFFAOYSA-N 246.266 2.352 0 40 BEAB CC(=O)O[C@H]1CC[C@@H]2C[C@@H]1CC[C@@H]2OC(C)=O 100733693 KTYSVMZPWITXDP-RNJOBUHISA-N 240.299 2.060 0 40 BEAB COC1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 102343428 ASQKYBGRVICBFR-RYUDHWBXSA-N 237.343 2.060 0 40 BEAB C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCC[C@H]1C 106560165 XNLOBKHIBPEABL-AGIUHOORSA-N 249.358 2.214 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCCc1cn[nH]c1 107358621 KBTRXIJGRHDMCF-WCFLWFBJSA-N 248.326 2.322 0 40 BEAB CC(C)N1[C@@H]2CC[C@@H]1CC(N)(C(F)(F)F)C2 110767598 UWSROLMXPJISLZ-RKDXNWHRSA-N 236.281 2.281 0 40 BEAB COC(=O)c1ccc(OC(C)C)cc1F 203816829 ZNWALYBMEHLXFO-UHFFFAOYSA-N 212.220 2.400 0 40 BEAB CCOc1c(C(=O)O)ccn2cccc12 217657379 SJNOKPIQQZNQAM-UHFFFAOYSA-N 205.213 2.036 0 40 BEAB O=C(O)[C@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 225760620 DGBXKFVUWZAVCW-YWIQKCBGSA-N 238.205 2.065 0 40 BEAB COc1cc2[nH]c(=N)sc2cc1OC(F)F 408715154 HXCKMISEWXCGNR-UHFFFAOYSA-N 246.238 2.319 0 40 BEAB Cn1nc(C(=O)C2CCCCCC2)cc1N 408716690 PTJKNWLCSMWCMT-UHFFFAOYSA-N 221.304 2.155 0 40 BEAB Nc1cc2nccc(-c3cccs3)n2n1 1548918923 RKUWSXMGSUFIHU-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB CCCC(=O)Nc1c[nH]c2ccccc2c1=O 1565504949 YGVMNCZSRFSQNZ-UHFFFAOYSA-N 230.267 2.267 0 40 BEAB COC(=O)c1ccc(C(C)C)c(OC)n1 1776011401 KCJYHWQCVAPOIK-UHFFFAOYSA-N 209.245 2.000 0 40 BEAB COc1ccccc1CC(=O)N1CCC[C@@H](C)C1 121853 GGZYKOKSGPDALA-GFCCVEGCSA-N 247.338 2.496 0 40 BEAB c1ccc(CN2CCC3(CC2)OCCO3)cc1 134518 AOAMQMAEEUONRT-UHFFFAOYSA-N 233.311 2.026 0 40 BEAB C[C@H]1CCc2c(sc3ncn4cnnc4c23)C1 158857 UAYUDDKMBRQIIL-ZETCQYMHSA-N 244.323 2.464 0 40 BEAB O[C@H]1[C@@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 1209687 OTFFUZVPVSDGHV-RNJOBUHISA-N 209.333 2.022 0 40 BEAB Nc1ccncc1-c1ccc(C(=O)O)s1 2458591 VELQZAGPJZYXSD-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1 2527181 LTNNUMKAWAGPIS-IUCAKERBSA-N 243.303 2.107 0 40 BEAB in-vitro CCOCCCNCc1ccc(OC)cc1 2923716 YHCUAXIHARESQZ-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB O=C(N1CCCC1)C(F)(F)Oc1ccccc1 3134890 QMUBVVVZFINYGO-UHFFFAOYSA-N 241.237 2.281 0 40 BEAB S=C(S[C@@H]1C=CCC1)N1CCOCC1 4404170 VGOCDGRUHMUTHC-SECBINFHSA-N 229.370 2.055 0 40 BEAB C[C@@H]1C[C@@H](c2ccccc2)C(=O)CN1C 4692452 YFDVANILCDHZCK-PWSUYJOCSA-N 203.285 2.063 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@H](O)/C2=C\CC(=O)O 4701290 RGKKHMAZNHLDGM-KJROZXCQSA-N 224.300 2.205 0 40 BEAB Cc1cc(C(=O)Nc2ccccc2F)[nH]n1 6736872 CYRLEAFECLOLNR-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB O=C(O)c1cccc2nc(-c3ccncc3)[nH]c12 6740852 PWMIUJKAAICMHR-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB CSCc1cc(O)nc(-c2ccncc2)n1 8781978 LIBMNCJZHMMZLO-UHFFFAOYSA-N 233.296 2.107 0 40 BEAB Cc1ccc(-c2cc3n(N)c(C)nn3c2)cc1C 27752571 FEMCWSVHNOPMFT-UHFFFAOYSA-N 240.310 2.442 0 40 BEAB CC[C@@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C 32899811 SEWUZTWDSHAJJR-MRVPVSSYSA-N 246.314 2.261 0 40 BEAB CCOC(=O)c1ccnc(-c2ccncc2)c1 47218114 KJJXNPHLSQYDCF-UHFFFAOYSA-N 228.251 2.320 0 40 BEAB in-vitro N[C@@H](C(=O)OC1CCCC1)c1ccccc1 48632256 WXGVMWCVLJRTIC-GFCCVEGCSA-N 219.284 2.172 0 40 BEAB CC(C)c1nc(CN2CCOC[C@H]2C)cs1 51687521 CQUJYUGXKDPVGA-SNVBAGLBSA-N 240.372 2.487 0 40 BEAB Cc1cccc(C[C@@H](C(=O)O)N2CCCC2)c1C 57536424 UPXAGRMPUYQQIH-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB c1ccc2c(NO[C@@H]3CCCCO3)ncnc2c1 65517368 AWKHBBLAHKTKHZ-GFCCVEGCSA-N 245.282 2.500 0 40 BEAB CSCCC(=O)N[C@@H](C)c1ccccn1 70704672 BVYALQRPVWVMQF-VIFPVBQESA-N 224.329 2.012 0 40 BEAB CC(C)Cc1cc(C(=O)OCC(F)F)[nH]n1 71803576 WREZYFYHEOUTDL-UHFFFAOYSA-N 232.230 2.030 0 40 BEAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccs1 72304777 UWPICSKCXNDEAQ-DTWKUNHWSA-N 240.328 2.031 0 40 BEAB CC(C)(C)OC(=O)N1C(=O)[C@H]2CCC=C[C@H]21 72481884 DIRYFKYIEKHZOA-DTWKUNHWSA-N 223.272 2.099 0 40 BEAB CC(C)(C)c1nccc(Nc2cn[nH]c2)n1 78968252 CASDDACTFJCQQQ-UHFFFAOYSA-N 217.276 2.241 0 40 BEAB NCc1ccc(OCCC(F)(F)F)cc1 80936526 NKBKUGFBHKFYLX-UHFFFAOYSA-N 219.206 2.477 0 40 BEAB Cc1nn(C)cc1-c1csc(-c2ccn[nH]2)n1 84044551 SKEOWGVSEJNZRR-UHFFFAOYSA-N 245.311 2.242 0 40 BEAB CN(CCc1ccccc1)C[C@H]1CCCCN1 88195073 CTLXLONAXQHHEF-OAHLLOKOSA-N 232.371 2.303 0 40 BEAB O=c1onc(-c2ccccn2)n1[C@H]1C=CCCC1 89884673 JNXCDYVOWFUGOB-JTQLQIEISA-N 243.266 2.180 0 40 BEAB CC(=O)N1c2ccccc2N(C)CC[C@H]1C 89930018 GJUKTYBODLUOKD-SNVBAGLBSA-N 218.300 2.268 0 40 BEAB Cn1ccc(CN2CCC3(CCC3)C2)c1 93455860 UUYKYWSWURYWHV-UHFFFAOYSA-N 204.317 2.401 0 40 BEAB COc1ccccc1-c1nc([C@H](N)C(C)C)n[nH]1 95534763 KMQBTGFOKOAMAJ-LLVKDONJSA-N 246.314 2.136 0 40 BEAB Cc1cc(N(CCCO)CC(C)(C)C)ncn1 95975481 BIQQDIVEGOQFBO-UHFFFAOYSA-N 237.347 2.020 0 40 BEAB CN(CCOC(C)(C)C)[C@H]1CCSC1 96485539 HBFCHJIKSJDLKI-JTQLQIEISA-N 217.378 2.239 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@H](C)CCC(=O)O 97039202 CUKCVAPYMZPPBK-LLVKDONJSA-N 249.310 2.287 0 40 BEAB Fc1cc2c(cc1Br)OCO2 97439032 DDBULQVCBPPQPN-UHFFFAOYSA-N 219.009 2.317 0 40 BEAB in-vitro CC(C)CCN1C[C@]2(C)CNC[C@@](C)(C1)C2 100475519 VXEJACCJDQUKSR-KBPBESRZSA-N 224.392 2.354 0 40 BEAB N[C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 100807061 YKBYFTQGWMFYBS-TXEJJXNPSA-N 248.301 2.051 0 40 BEAB Nc1nn(-c2ccccc2)c2c1CCCC2 107299377 PUKFAFBXHWRGIG-UHFFFAOYSA-N 213.284 2.333 0 40 BEAB CN(Cc1ccnn1C)C1Cc2ccccc2C1 271138484 NYIZJFXRBPHTOL-UHFFFAOYSA-N 241.338 2.019 0 40 BEAB O=C(NC1CC(F)(F)C1)c1ccsc1 277068493 SBCYIAQLIMXPTB-UHFFFAOYSA-N 217.240 2.276 0 40 BEAB Cc1nc([C@H]2C[C@@H]3CCNC[C@H]3O2)sc1C 306137776 RGBPZNVWJIBOCA-HBNTYKKESA-N 238.356 2.199 0 40 BEAB O=c1[nH]ccn2nc(C3CCCCC3)cc12 409422319 FBWUFXWFAAOKEB-UHFFFAOYSA-N 217.272 2.070 0 40 BEAB NC[C@H]1CCC2(CCC(F)(F)CC2)O1 536950634 QGIUBDUKXMHEQO-MRVPVSSYSA-N 205.248 2.072 0 40 BEAB COc1ccc(/C=C/[C@H]2CC(O)=CC(=O)O2)cc1 888085705 FWTANFWOUZTKOF-LVDDQXARSA-N 246.262 2.466 0 40 BEAB in-vitro CCOC(=O)c1ccc(N2CCCCC2)c(N)c1 164852 NZNCMBCPAWKKSB-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB Oc1nn(-c2ccc(F)cc2)c2ncccc12 1397116 XSCKAXWCWRBEJM-UHFFFAOYSA-N 229.214 2.265 0 40 BEAB O=C(Nc1ccccc1)NN1CCCCC1 1602956 BWQZEOQDPVLKDJ-UHFFFAOYSA-N 219.288 2.209 0 40 BEAB CC(=O)OCc1cc(Cl)ccc1OC(C)=O 1679610 DXKVEVAVGWRCFH-UHFFFAOYSA-N 242.658 2.328 0 40 BEAB O[C@@H]1C2(CCCCC2)CN[C@]12C=CCCC2 1722975 IOXFYROGVKPFKG-OCCSQVGLSA-N 221.344 2.380 0 40 BEAB CCC(=O)NCCSc1ccc(O)cc1 2518266 QSZDEDWYJWMGDI-UHFFFAOYSA-N 225.313 2.011 0 40 BEAB Cc1ccc(C(=O)Nc2nccs2)o1 2744811 FGUYKDJNAJLKAN-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB COc1ccc(C(=O)NC2CCCC2)cc1 3093842 NMBPRCNWXBTYJU-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB NNc1nc(-c2ccc(F)cc2)cs1 4294052 SEULEDUVYOUXCQ-UHFFFAOYSA-N 209.249 2.235 0 40 BEAB O[C@@H]1[C@H]2CC[C@@H]1CC[C@@H]2N1CCCCC1 4336983 OTFFUZVPVSDGHV-VOAKCMCISA-N 209.333 2.022 0 40 BEAB Nc1n[nH]c2ncc3c(c12)CCCCCC3 6382827 VSWKWWMJAASEEW-UHFFFAOYSA-N 216.288 2.199 0 40 BEAB Cn1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cn1 8095592 JSBKKIAMBYPNQL-NWDGAFQWSA-N 247.342 2.072 0 40 BEAB Cc1nn(C)c2ncc(NC(=O)C(C)(C)C)cc12 12925477 SHJFUCVMOMBCML-UHFFFAOYSA-N 246.314 2.261 0 40 BEAB CC(C)COc1ccc(NC(N)=S)cc1 16887618 IREKGLRNZZOQNV-UHFFFAOYSA-N 224.329 2.377 0 40 BEAB CCCCNS(=O)(=O)c1ccc(F)c(C)c1 16940066 SBZVOARKRSGTTJ-UHFFFAOYSA-N 245.319 2.213 0 40 BEAB Nc1cccc(Cl)c1Sc1ncn[nH]1 19845534 FYHKQMTXAOIUTD-UHFFFAOYSA-N 226.692 2.192 0 40 BEAB Brc1cccc([C@@H]2CNCCO2)c1 20269161 ZAFIQPSQXJOTKS-JTQLQIEISA-N 242.116 2.110 0 40 BEAB in-vitro CCn1cc(CNc2ccc(C(=O)O)cc2)cn1 20353799 GJLMFALQPDNQTK-UHFFFAOYSA-N 245.282 2.213 0 40 BEAB c1csc(CCNc2ncnc3[nH]cnc23)c1 20549659 YIZWRPPLSSLNNX-UHFFFAOYSA-N 245.311 2.069 0 40 BEAB CCCCc1nc(Cl)n(-c2ncccn2)n1 22125463 WBCOWVXDYQPINP-UHFFFAOYSA-N 237.694 2.053 0 40 BEAB O=C(O)CCOc1ccc(F)cc1Cl 22150526 XNBUXUDYENDIRW-UHFFFAOYSA-N 218.611 2.333 0 40 BEAB in-vitro CC1CCC(NC(=O)/C=C/c2ccnn2C)CC1 31471692 YCJVKFVJWQVMMD-BQYQJAHWSA-N 247.342 2.128 0 40 BEAB Nc1ccnn1-c1ccccc1Br 35778925 ZSXYTEXGKBYULM-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CC(C)c1nc(C(=O)O)nn1-c1cccc(F)c1 36879337 AWEGZPJXQJJULL-UHFFFAOYSA-N 249.245 2.228 0 40 BEAB in-vitro CC[C@@H](CCCO)NC(=O)OC(C)(C)C 39093975 WXDNHTNXWAXWGI-VIFPVBQESA-N 217.309 2.062 0 40 BEAB CSCCC(=O)NCc1sccc1C 40070961 NITLBDXCYYESCV-UHFFFAOYSA-N 229.370 2.426 0 40 BEAB Brc1ccnn1[C@H]1CCCCO1 40456518 CVHYIERLKZMAPH-MRVPVSSYSA-N 231.093 2.345 0 40 BEAB in-vitro O=C(CCCc1cccs1)NC1CC1 40459689 LDRWVRSPCDLRQE-UHFFFAOYSA-N 209.314 2.349 0 40 BEAB c1ccc2oc(CNCCn3cccn3)cc2c1 42351671 GFGWDVOQRGLWSD-UHFFFAOYSA-N 241.294 2.419 0 40 BEAB CCOC(=O)c1ncoc1-c1scnc1C 43304381 OIZCQZBBMPYVLN-UHFFFAOYSA-N 238.268 2.283 0 40 BEAB in-vitro C[C@@H]1C[C@@H](C)CN(Cc2nc(C3CC3)no2)C1 43999584 JCOZVKDSLFHXNN-NXEZZACHSA-N 235.331 2.425 0 40 BEAB Cc1cccnc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 46974227 NWUAMSWXXBPYIS-QWRGUYRKSA-N 249.314 2.079 0 40 BEAB CCOc1nnc(CN2CCC(C)CC2)s1 48342127 SYILSQHAQDUUAP-UHFFFAOYSA-N 241.360 2.169 0 40 BEAB CONC(=O)c1cc(C)n(Cc2ccco2)c1C 53496494 RTELKGJSRAOZOA-UHFFFAOYSA-N 248.282 2.037 0 40 BEAB CCOC(=O)c1cnc2cccc(O)c2c1 59870938 FQICAMFONSQQAM-UHFFFAOYSA-N 217.224 2.117 0 40 BEAB C[C@H](Cn1cccn1)NCCc1cccs1 65624276 KASMTDPGORKNLW-LLVKDONJSA-N 235.356 2.165 0 40 BEAB Cc1ccc(C)c(CSCCC(N)=O)c1 71887354 AROYHYFVUIFSIT-UHFFFAOYSA-N 223.341 2.412 0 40 BEAB CNc1ncc([C@H]2CCCN2C)cc1C 72218966 BKKQCJIJJHRBSG-LLVKDONJSA-N 205.305 2.198 0 40 BEAB OCCc1ccc(Oc2ccccc2)nc1 72225191 WBMOWVKMDGWNJE-UHFFFAOYSA-N 215.252 2.409 0 40 BEAB Cc1cc(C(=O)Nc2sc(C)nc2C)[nH]n1 75107492 RJZDVZCSZHIZGZ-UHFFFAOYSA-N 236.300 2.044 0 40 BEAB Fc1cc(Cl)ccc1OC[C@@H]1CO1 75880967 RILWPWUJBNSZTD-ZETCQYMHSA-N 202.612 2.257 0 40 BEAB O=C(O)c1cnc2cc(F)c(F)cc2c1 78413456 KEOVNIHGVVBBNT-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB CCc1[nH]nc(NC(=O)Nc2ccncc2)c1C 78777046 KVPVQYMBKPKWAW-UHFFFAOYSA-N 245.286 2.320 0 40 BEAB C1=C(CCNc2nccn3cnnc23)CCCC1 79468733 KATOLAWYPOZIAP-UHFFFAOYSA-N 243.314 2.427 0 40 BEAB Nc1ccc(Oc2ccnc3[nH]ncc23)c(F)c1 80443696 KFEHQSLGLJKXMG-UHFFFAOYSA-N 244.229 2.472 0 40 BEAB in-vitro C[C@@H](CO)CSCC[C@H]1CCCCN1C 85138448 OKGDEYDRIZZEBX-NWDGAFQWSA-N 231.405 2.222 0 40 BEAB CC(C)Cn1c([C@@H]2CCNC2)nc2ccncc21 85347873 PYXXLYPXEQYXHR-LLVKDONJSA-N 244.342 2.164 0 40 BEAB CCSCCN1C(=O)CC(CC)(CC)C1=O 95993920 XJHCCVWWEDFNJC-UHFFFAOYSA-N 243.372 2.305 0 40 BEAB O=Cc1ccc2cc(OCC(=O)O)ccc2c1 96007028 XHFHGJQTDVJAFK-UHFFFAOYSA-N 230.219 2.116 0 40 BEAB CSC[C@@H](C)OC(=O)c1cc(C(C)C)[nH]n1 96452580 VMHXGRSNFSWUHT-MRVPVSSYSA-N 242.344 2.441 0 40 BEAB CCc1cccc(Cn2ccc(N)n2)c1 96524102 YIJOWZLVHJMAPL-UHFFFAOYSA-N 201.273 2.076 0 40 BEAB CS[C@H](C)CNC(=O)Nc1ccncc1F 97376676 FNCXLOGKCXFCEM-SSDOTTSWSA-N 243.307 2.094 0 40 BEAB C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCCC2(C1)OCCO2 102214666 HCPMBGQVNPJFSM-MELADBBJSA-N 249.354 2.038 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(=S)S 104352310 TYGIKKCTXUVYPS-CVJICSNFSA-N 243.397 2.185 0 40 BEAB NN[C@H](c1ccc(F)c(F)c1)C(F)(F)F 161798115 WSZOIQWRHJUYHU-SSDOTTSWSA-N 226.148 2.032 0 40 BEAB N[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 218686133 LVIJXJAIZQYJOP-MNOVXSKESA-N 209.676 2.091 0 40 BEAB CCOC(=O)[C@H]1CCN[C@@H]1c1cccc(F)c1 257197785 JEAZYSLWBMPPRO-NWDGAFQWSA-N 237.274 2.039 0 40 BEAB Cc1csc(O[C@@H]2CCC[C@@H]2N(C)C)n1 585651243 BMAPRCKARMANGY-VHSXEESVSA-N 226.345 2.313 0 40 BEAB Cn1cc(-c2cn(CC3CC(C)(C)C3)nn2)cn1 641070979 SRLWFZSSGSNRIB-UHFFFAOYSA-N 245.330 2.115 0 40 BEAB COc1ccc(Br)cc1CCCO 1702947 OYXROKSQSCMNOH-UHFFFAOYSA-N 245.116 2.383 0 40 BEAB CCNC(=O)NCc1cc(C)ccc1C 1738049 ZJQBHKKCQCXUQX-UHFFFAOYSA-N 206.289 2.123 0 40 BEAB CN1[C@H]2CCC[C@H]1CC(OC(=O)c1ccco1)C2 2119168 GGHICGWVZFRCPF-QWRGUYRKSA-N 249.310 2.452 0 40 BEAB biogenic C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccco1 2510513 JTDIADXWGUFCRY-ZJUUUORDSA-N 207.273 2.079 0 40 BEAB Cn1cc(CNc2cccc(F)c2)cn1 2536137 JBPANXRWFZGVMY-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB Cc1cccc(NC(=O)C(=O)NCC(C)C)c1C 5184236 KQKRKLMMXQMMGZ-UHFFFAOYSA-N 248.326 2.014 0 40 BEAB O=C(N[C@@H]1CCCc2occc21)c1cccnc1 12870650 DUVWQSXTYLZJJE-GFCCVEGCSA-N 242.278 2.482 0 40 BEAB COc1ccccc1NC(=O)NCC1CC1 12874304 QXHXSCXDGXQRCZ-UHFFFAOYSA-N 220.272 2.227 0 40 BEAB Cc1cc(C)c(OCC(=O)N2CCC2)c(C)c1 12904534 VHHZIQQDCDKYET-UHFFFAOYSA-N 233.311 2.223 0 40 BEAB C[C@H](CO)NC(=O)Nc1cccc2ccccc12 12977307 ABGHUIZNIMFHLG-SNVBAGLBSA-N 244.294 2.342 0 40 BEAB CCCNC(=O)CSc1nc2ccccc2[nH]1 13121397 AAILBDHRXCUUNF-UHFFFAOYSA-N 249.339 2.181 0 40 BEAB Cc1cc(N)ccc1OC[C@H]1CCCO1 14630478 NDKKLADFIPZRHF-LLVKDONJSA-N 207.273 2.135 0 40 BEAB OC1CCN(c2ccc(C(F)(F)F)cn2)CC1 15443209 DLAYRTOUIFQCOR-UHFFFAOYSA-N 246.232 2.062 0 40 BEAB COC1=Nc2c(C)ccc[n+]2/C=C(\O)CC1 16155525 LVWGPXWQAQJVDN-NTMALXAHSA-O 219.264 2.109 0 40 BEAB CCSc1ncc(Br)c(O)n1 17014764 YSLWQLFEGUQQJO-UHFFFAOYSA-N 235.106 2.057 0 40 BEAB O=C(O)c1cccnc1Sc1ccccn1 19508430 ALAPRQXKCRBYQF-UHFFFAOYSA-N 232.264 2.326 0 40 BEAB COc1cc(CNc2cccnc2)ccc1O 19884114 OOJYFWZUDBGRMD-UHFFFAOYSA-N 230.267 2.408 0 40 BEAB COc1cccc(CNC(=O)NC2CCCC2)c1 30987946 UNVBSRATXQCZEO-UHFFFAOYSA-N 248.326 2.437 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccn1 32841325 QMXQHIZLRAGABF-YPMHNXCESA-N 247.342 2.460 0 40 BEAB C[C@@H](Cn1cccn1)NCc1ccsc1 35272257 ONSJTEVIOSIDMC-JTQLQIEISA-N 221.329 2.123 0 40 BEAB Brc1ccccc1O[C@H]1CCNC1 36142112 NUPVGPCMRJIIPJ-QMMMGPOBSA-N 242.116 2.190 0 40 BEAB CNC1CCN(Cc2ccccc2F)CC1 37241451 AOGGVQIVKJEWEM-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB Clc1nc2ncc(Br)cc2[nH]1 38845611 KAHOOPTUPYPNPB-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB COC(=O)N1CCC(c2nccs2)CC1 40623502 ARYLGOSCFPILFD-UHFFFAOYSA-N 226.301 2.089 0 40 BEAB COc1ccccc1CC(C)(C)C(=O)O 41217183 FRIAIIANUDZYIQ-UHFFFAOYSA-N 208.257 2.349 0 40 BEAB COc1ccccc1COCC1CCNCC1 42775990 DCUXSUCNFRWJMI-UHFFFAOYSA-N 235.327 2.211 0 40 BEAB NCC1CCN(c2nc3ccccc3o2)CC1 44514877 WAHUYEKWGMZZAU-UHFFFAOYSA-N 231.299 2.003 0 40 BEAB COc1ncccc1NC(=O)NCc1ccoc1 48236618 RWWDTDROIWBZAR-UHFFFAOYSA-N 247.254 2.005 0 40 BEAB CCc1ccc(-n2cnc(C(=O)O)c2)cc1 50225898 PLNQTPMDHBRZGX-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB N=C(N)COc1cccc2ccccc12 55364098 NUBWXMPINFKPQI-UHFFFAOYSA-N 200.241 2.155 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 58264750 KMEOZQHYWHCJLU-CMPLNLGQSA-N 245.326 2.276 0 40 BEAB Cc1ccc(-c2noc([C@@H]3CCNC3)n2)cc1 62119512 PHIDSEQXJPYQKW-LLVKDONJSA-N 229.283 2.122 0 40 BEAB Cn1cccc1C(=O)N[C@H]1CCCc2occc21 69351050 UYWOVXVJKMPZQJ-NSHDSACASA-N 244.294 2.426 0 40 BEAB Cc1ccc([C@@H]2CCCN2CC(=O)N(C)C)cc1 69379169 BFOZVPHOHGKTKQ-AWEZNQCLSA-N 246.354 2.220 0 40 BEAB COC(=O)[C@]1(c2cccnc2)CCCCS1 72220169 CZIQQVHNFBOLRS-GFCCVEGCSA-N 237.324 2.367 0 40 BEAB NCC1(c2cc(-c3cccs3)on2)CC1 72220678 UNPDSMYXDLIBSI-UHFFFAOYSA-N 220.297 2.393 0 40 BEAB c1cc(-c2ccc3c(c2)OCO3)n2nccc2n1 72451560 LDKFFMGRRQARBD-UHFFFAOYSA-N 239.234 2.125 0 40 BEAB CC(C)CC(=O)N1CCN=Cc2cc(N)ccc21 73642185 QTXJSCJENRIGJG-UHFFFAOYSA-N 245.326 2.080 0 40 BEAB O=C(O[C@@H]1CCSC1)c1cccnc1Cl 76090173 JVUWNSOSYOKPSI-SSDOTTSWSA-N 243.715 2.397 0 40 BEAB O=C(c1ccc[nH]1)N1CCC[C@@H]1c1cccnc1 78568208 XCKNDTXXBCXNRG-CYBMUJFWSA-N 241.294 2.387 0 40 BEAB CO[C@H](C)CCOC(=O)c1cccc2cn[nH]c12 78949294 SRDZNBCCWJRFFF-SECBINFHSA-N 248.282 2.145 0 40 BEAB CC(C)C(=O)NC[C@@H](C)Oc1ccccc1F 80759213 AZBFWTXQRYBCMP-SNVBAGLBSA-N 239.290 2.365 0 40 BEAB Nc1cn(-c2ccc(Cl)c(Cl)c2)nn1 86454230 NMLDEIJRXURNRX-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB COCCNC(C)(C)c1cccc(C)c1 96491925 PUDMVHYXTSEOAU-UHFFFAOYSA-N 207.317 2.466 0 40 BEAB O=C(c1ccccc1)N1CC[C@@H]2CC[C@H](O)[C@@H]1C2 100521012 JNCDGTXHWIJATK-UBHSHLNASA-N 245.322 2.062 0 40 BEAB Cc1cc2[nH]c(C)c(C(=O)O)c2cc1N 107372633 JSYCBBHYUGUZNM-UHFFFAOYSA-N 204.229 2.065 0 40 BEAB C[C@@H]1NC[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 109325001 JVNQIVFIOMMCFT-NWANDNLSSA-N 230.355 2.116 0 40 BEAB CCc1nc(-c2cccc(N)c2C)no1 140337560 NFVJIIOMIFPQGM-UHFFFAOYSA-N 203.245 2.190 0 40 BEAB O=Cc1c(Br)cnc2ncccc12 146221952 CLNPIUZKBVEYRU-UHFFFAOYSA-N 237.056 2.205 0 40 BEAB C[C@@H]1CN(CC2CC2)C[C@@H](C)N1CC1CC1 187115262 BAJDVGSDCCLXIX-VXGBXAGGSA-N 222.376 2.201 0 40 BEAB Cc1ccc(-n2cnc(C(=O)NC(C)C)c2)cc1 226754397 JIQINWLCDHOQRV-UHFFFAOYSA-N 243.310 2.319 0 40 BEAB Cc1ccnc(C)c1[C@@H](C)O[C@@H]1CCNC1 242495973 GWAWNDBDTSHGCH-VXGBXAGGSA-N 220.316 2.138 0 40 BEAB CC1(CC(=O)N=c2ccc3cc[nH]c3[nH]2)CC1 578731062 VJOWUHCGHLCTMF-UHFFFAOYSA-N 229.283 2.114 0 40 BEAB CC(C)n1ncc(N)c1NC(=O)OC(C)(C)C 1548918920 QLPVGELJZABHGS-UHFFFAOYSA-N 240.307 2.393 0 40 BEAB CC(C)(C)NC(=O)c1ccc(F)cc1F 23882 AXKHVEXODPTCSL-UHFFFAOYSA-N 213.227 2.493 0 40 BEAB Cc1cc(C)cc(Nc2nccc(=O)[nH]2)c1 1280897 BXXRKGPQORBVRU-UHFFFAOYSA-N 215.256 2.130 0 40 BEAB COCCNC(=O)Nc1ccc(Cl)cc1 2161953 FBMDLVCYAHGYPO-UHFFFAOYSA-N 228.679 2.108 0 40 BEAB Nc1cccc(NNc2cccc(N)c2)c1 3845307 DKAKZHOCXADBQX-UHFFFAOYSA-N 214.272 2.290 0 40 BEAB biogenic CC[C@H](C)c1cc(N)cc(C(=O)O)c1O 5333346 ITEFJXIHOVSOSR-LURJTMIESA-N 209.245 2.186 0 40 BEAB CCOC(=O)C1(C(=O)OCC)CC=CC[C@@H]1C 5574430 LKVLDEBTDJKEII-JTQLQIEISA-N 240.299 2.085 0 40 BEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1 6641505 LHJUXZWAVZHIDP-ZYHUDNBSSA-N 247.294 2.133 0 40 BEAB Cc1n[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 8021481 BYFHAZBCRAPDTF-QMMMGPOBSA-N 216.240 2.224 0 40 BEAB Cc1cc(CSc2nnc3ccccn23)no1 8245153 PLGFEKDYWUPXNJ-UHFFFAOYSA-N 246.295 2.318 0 40 BEAB O=C(O)C1=NO[C@H](c2ccc(Cl)cc2)C1 12398974 LNDRHUYPIJWCEO-VIFPVBQESA-N 225.631 2.242 0 40 BEAB O=C(Nc1nccs1)c1cn2ccccc2n1 12548745 AZKRMACHMNKWOA-UHFFFAOYSA-N 244.279 2.043 0 40 BEAB Fc1ccc(F)c(O[C@@H]2CCCNC2)c1 14631838 AQHMDFZAJALSII-SECBINFHSA-N 213.227 2.096 0 40 BEAB in-vitro c1ccc2c(c1)CCN[C@@H]2c1ccncc1 19862805 JFKYAEYYDOTEBD-CQSZACIVSA-N 210.280 2.317 0 40 BEAB biogenic Cc1nc2nc3ccccc3n2c(C)c1C(=O)O 20134399 DAMPGAJIVLWYIP-UHFFFAOYSA-N 241.250 2.198 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2)cc1 28574053 XDXCTDRMTKDFPF-LLVKDONJSA-N 243.310 2.220 0 40 BEAB CC(C)c1noc2ncc(C(=O)N(C)C)cc12 28619385 WCLOXDRVJJCUFU-UHFFFAOYSA-N 233.271 2.048 0 40 BEAB COC(CN(C)Cc1c[nH]c2ccccc12)OC 31689648 YZXQZBGIXBSJIL-UHFFFAOYSA-N 248.326 2.219 0 40 BEAB Cc1ccc(CCC(=O)N2CCC2)cc1 32845862 FLOSVTMBRRTNOR-UHFFFAOYSA-N 203.285 2.160 0 40 BEAB CCOc1ccc(OCC)c(NC(N)=S)c1 34938863 CNAWZSMTIKVQCS-UHFFFAOYSA-N 240.328 2.140 0 40 BEAB COc1ccc(OC)c(CNc2cnn(C)c2)c1 35737627 POOLPZHSOPKXNI-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB in-vitro CC(C)(C)c1ccc(CNCCN)cc1 37712250 LVNWSRPKSFNYIW-UHFFFAOYSA-N 206.333 2.032 0 40 BEAB CON(C)C(=O)c1cc(C)nc2ccccc12 40460771 MEAAJZDZPGBTLN-UHFFFAOYSA-N 230.267 2.177 0 40 BEAB Fc1cc(F)cc(COC2CCNCC2)c1 42782995 CESOZASCSIIEHT-UHFFFAOYSA-N 227.254 2.233 0 40 BEAB c1ccc2c(c1)CC[C@@]1(C2)NCCS1 43827599 VIZRDYJMUOJXHE-GFCCVEGCSA-N 205.326 2.208 0 40 BEAB Cc1cc(C(=O)NCC(C)C)c2c(C)noc2n1 48421921 IATQVYRNLHFEIK-UHFFFAOYSA-N 247.298 2.225 0 40 BEAB Cc1ccc(NCCc2n[nH]c(C)n2)cc1 48630590 QVDSWGJJAPUONY-UHFFFAOYSA-N 216.288 2.076 0 40 BEAB CCN(CCO)CCOc1ccc(Cl)cc1 49754463 PRSPBOHUBAGZHW-UHFFFAOYSA-N 243.734 2.033 0 40 BEAB CNC[C@@H]1C[C@H]1c1ccc(OC)c(OC)c1 54588498 VCUMKLYDJBVZEY-QWRGUYRKSA-N 221.300 2.027 0 40 BEAB COc1ccc(-c2ncc(C=O)o2)cc1 57491454 NGSAIYVITWYAEP-UHFFFAOYSA-N 203.197 2.163 0 40 BEAB CCn1cc(NC(=O)c2cccc(OC)c2)cn1 58379843 LRTFCOXKMRJFND-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB Sc1nnc(CCc2nc3ccccc3[nH]2)o1 61957880 UTFZWYRZCCKVCN-UHFFFAOYSA-N 246.295 2.020 0 40 BEAB Cc1ccc(-c2noc([C@H]3CCNC3)n2)cc1F 62119629 BIURJNNTYAGZOQ-JTQLQIEISA-N 247.273 2.261 0 40 BEAB Oc1ccnc2nc(Br)ccc12 71256917 PEXOJPNXNILGIR-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB CONC(=O)NCC[C@H]1CCC[C@@H](C)C1 71909179 YJJKEYWOCMMEGS-NXEZZACHSA-N 214.309 2.063 0 40 BEAB Cc1nccc([C@H]2CCCCN2C(=O)C(C)C)n1 72383244 AWXLHUHERBSMTK-CYBMUJFWSA-N 247.342 2.495 0 40 BEAB c1ncc(-c2ccnc(C3CCNCC3)c2)cn1 72386912 SXWUNSWNCFNAAT-UHFFFAOYSA-N 240.310 2.006 0 40 BEAB CN1CCC[C@H](c2ccccc2C(=O)O)C1 75906313 SWOHKJZHILEBHO-JTQLQIEISA-N 219.284 2.194 0 40 BEAB Cc1ccccc1COC(=O)C1CC(=O)C1 89690405 CMRGJNRNHVDIDI-UHFFFAOYSA-N 218.252 2.017 0 40 BEAB CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 89721544 QXWDGDNNAWYGOM-SNVBAGLBSA-N 224.329 2.307 0 40 BEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCOC1 89922372 NQPNPEVKUAGVCJ-XQHKEYJVSA-N 237.343 2.203 0 40 BEAB CC[C@@H](O)c1cc(F)c(F)c(OC)c1 95729375 BKWQDBRZMVNXKS-MRVPVSSYSA-N 202.200 2.417 0 40 BEAB CC(C)[C@](C)(O)c1ccc2c(c1)OCO2 95739009 ZHUCQZXLVHJYJS-LBPRGKRZSA-N 208.257 2.279 0 40 BEAB COCc1nsc(N2[C@@H](C)CC[C@H]2C)n1 95978563 JLPOSRJRZSEDSJ-OCAPTIKFSA-N 227.333 2.062 0 40 BEAB NCC1([C@H](O)c2ccc(Cl)cc2)CC1 96527065 XLLGHOOVKPOUPF-SNVBAGLBSA-N 211.692 2.112 0 40 BEAB CC[C@H](COC)Nc1c[nH]nc1-c1ccccn1 97101645 ANYXAJMVUCMXQA-SNVBAGLBSA-N 246.314 2.309 0 40 BEAB O=C(CC(=O)C(F)(F)F)Nc1ccccc1 100041389 QJYDWPJWCSDYAG-UHFFFAOYSA-N 231.173 2.147 0 40 BEAB CCNC(=O)c1cc(-c2ccc(F)cc2)on1 123057473 PSJCNSKYQDFIQB-UHFFFAOYSA-N 234.230 2.230 0 40 BEAB Cn1ccc(CN2CCC(C(F)(F)F)CC2)n1 270833274 UCUMAWFFOXBJRC-UHFFFAOYSA-N 247.264 2.194 0 40 BEAB CC(=O)[C@@H]1CCN(c2cnc3ccccc3n2)C1 390826467 MASKKZQOOMCUDM-LLVKDONJSA-N 241.294 2.045 0 40 BEAB F[C@@H]1COC[C@H]1Nc1ccc2ccccc2n1 585298213 RKHOZHVBAOVFFO-ZYHUDNBSSA-N 232.258 2.384 0 40 BEAB O=C1NC(=O)/C(=C/c2ccccc2)S1 1042222 SGIZECXZFLAGBW-VURMDHGXSA-N 205.238 2.011 0 40 BEAB CCOC(=O)[C@@H](c1ccccc1)n1cccn1 1384558 GCASTZGICBYQGT-GFCCVEGCSA-N 230.267 2.036 0 40 BEAB CCOc1ccc2c(c1)c(CC(=O)O)cn2C 1705024 AAAVOJOKSKRJIV-UHFFFAOYSA-N 233.267 2.204 0 40 BEAB CC(C)NCc1cc(=O)[nH]c2ccccc12 2197385 RVQQGUSNTMKBJN-UHFFFAOYSA-N 216.284 2.026 0 40 BEAB CC(=O)Nc1cc2ccccc2cc1C(=O)O 4218992 FHXRDNPWHSTOGC-UHFFFAOYSA-N 229.235 2.496 0 40 BEAB in-vitro Cc1cccc(OC[C@H](O)CN2CCCC2)c1C 4305038 UEFLXXJLXWYCDH-CQSZACIVSA-N 249.354 2.139 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(OC)c1 5461562 ADRWLHXWNYGAMI-PSASIEDQSA-N 235.283 2.298 0 40 BEAB CO[C@@H]1CCCCN1C(=O)c1ccccc1 5809761 HTKAMCXNPVWFAZ-GFCCVEGCSA-N 219.284 2.285 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccccn1 6436260 DJHZNCXSQOFNIK-QWRGUYRKSA-N 218.300 2.390 0 40 BEAB O=Cc1cc(Br)cc2c1OCOC2 11850998 ABGWMSFGSYCWOA-UHFFFAOYSA-N 243.056 2.128 0 40 BEAB CCCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 12535372 QKIRZEWVAUXICH-UHFFFAOYSA-N 247.273 2.356 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@@H](CO)C2)c(C)c1 12975722 XNBHJPZRGBNUMT-CYBMUJFWSA-N 247.338 2.148 0 40 BEAB Cc1ccc(C)c2c1cc(C(=O)O)n2C 13536191 VQPPNTLPOSHXHS-UHFFFAOYSA-N 203.241 2.493 0 40 BEAB CCNCCCCCNC(=O)OC(C)(C)C 15020977 HSYFFBMGEABTLW-UHFFFAOYSA-N 230.352 2.291 0 40 BEAB Nc1ccc(-c2nnc(C3CC3)o2)cc1 19815106 PPWGJWUINVPOFR-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB COC[C@@H](C)NCc1ccc(F)cc1F 19904341 PMXHNQGTFKUKEG-MRVPVSSYSA-N 215.243 2.089 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1cc(C2CC2)on1 27095473 VCONKGHNERWLNZ-UHFFFAOYSA-N 246.310 2.470 0 40 BEAB Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 27915717 MAOUXMDDMPXMNQ-NEPJUHHUSA-N 241.294 2.162 0 40 BEAB COc1ccccc1-n1nc(C)cc1C 32010064 XZMVAOUJPDQKTI-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB COc1cccc([C@H](CN)N2CCCCC2)c1 32497037 RLNXEHGLANHPOL-AWEZNQCLSA-N 234.343 2.181 0 40 BEAB O=C(O)CC[C@@H](O)c1c[nH]c2ccccc12 33992552 FPLWKQKTQLUVDW-LLVKDONJSA-N 219.240 2.066 0 40 BEAB COC(=O)[C@H](N)Cc1ccc(Cl)c(Cl)c1 34294338 FCLCQOSGWAJGBJ-SECBINFHSA-N 248.109 2.036 0 40 BEAB CCNC(=S)Nc1ccc(S)cc1 35586126 GIMBOTJCAMCMRT-UHFFFAOYSA-N 212.343 2.282 0 40 BEAB CSc1ccc(Cl)c(C(=O)O)n1 38063447 KCNDVIJSOUSNTB-UHFFFAOYSA-N 203.650 2.155 0 40 BEAB CNCCCc1cc(-c2ccccc2)no1 39947614 IJXJJHUDUZWTDT-UHFFFAOYSA-N 216.284 2.494 0 40 BEAB in-vitro NCc1cc(-c2cccc(Cl)c2)on1 40175375 GLWAOUGBPNPXJW-UHFFFAOYSA-N 208.648 2.454 0 40 BEAB COCCCNc1nc2ccccc2nc1C 44782048 YUOGVUZSFHFOHV-UHFFFAOYSA-N 231.299 2.387 0 40 BEAB COC[C@H](C)NC(=O)/C=C/c1ccc(C)cc1 45293892 QRMVFOILEPGQIU-BCPZQOPPSA-N 233.311 2.159 0 40 BEAB O=C(CCOc1ccc(F)cc1)NCC1CC1 45341433 MFZRXFGSQFBANL-UHFFFAOYSA-N 237.274 2.121 0 40 BEAB NC[C@H](O)c1ccc(-c2cccs2)s1 49820180 UONLJCMCCQQBQK-ZETCQYMHSA-N 225.338 2.469 0 40 BEAB CC[C@@H]1CCCCN1C(=O)CN(C)CC1CC1 52127962 UIQLXZGPZMYQIP-CYBMUJFWSA-N 238.375 2.119 0 40 BEAB O=C(NCCc1cccc(F)c1)c1ccc[nH]1 57910592 LXKJQGOEPBJKGU-UHFFFAOYSA-N 232.258 2.126 0 40 BEAB O=C(NCCCOC1CCCC1)c1cccnc1 61260897 MDGHXMKRVQVNBE-UHFFFAOYSA-N 248.326 2.161 0 40 BEAB CC[C@H](OC)[C@@H](NCc1ccccc1)C(C)=O 64219548 LQQHPKCCORAZML-KBPBESRZSA-N 235.327 2.159 0 40 BEAB NC(=S)NNc1cc(Cl)ccc1Cl 71546901 PDHGKWDZUMYBQJ-UHFFFAOYSA-N 236.127 2.154 0 40 BEAB CN(CC1CCC1)C(=O)c1ccc2c(c1)OCO2 71894332 FYKKFDMJCCVQDK-UHFFFAOYSA-N 247.294 2.287 0 40 BEAB COC(=O)CN1CCCCC[C@@H]1c1ccco1 71915036 BZBWBOSVLYJHHU-LLVKDONJSA-N 237.299 2.370 0 40 BEAB CCN(CC)c1ccc(C(=O)N[C@H]2C[C@H]2C)cn1 72094593 WBZZJFMIJREPNF-PWSUYJOCSA-N 247.342 2.066 0 40 BEAB CC[C@H](N)c1ccc(Br)nc1 72225034 YRLBPLCCTPSXGR-ZETCQYMHSA-N 215.094 2.254 0 40 BEAB NCc1nc(-c2ccccc2C(F)(F)F)no1 73640848 GVIJHQVOFXFCAX-UHFFFAOYSA-N 243.188 2.214 0 40 BEAB CCN(CC)c1ccc2cc(CO)c(=O)oc2c1 75252265 LZVUVQZZQPNITJ-UHFFFAOYSA-N 247.294 2.132 0 40 BEAB Cc1csc(NC(=O)c2ccncc2F)n1 78058388 MKUPOPPKHOAUHO-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB COC(=O)C[C@H](C)SCc1cc(C)no1 78813006 YGRNAVYTIKXLOM-QMMMGPOBSA-N 229.301 2.168 0 40 BEAB O=C(c1cc2ccccc2[nH]1)n1cccn1 82264232 GQXSAWDLXAUHGV-UHFFFAOYSA-N 211.224 2.053 0 40 BEAB C[C@H]1C[C@@H](C(=O)O)c2ccccc2N1C 83985764 KRYVSGCLBIXXRP-WCBMZHEXSA-N 205.257 2.083 0 40 BEAB Cc1ccsc1CNC[C@@H](O)c1ccco1 85501006 YPQBRDFATSQBEF-SNVBAGLBSA-N 237.324 2.473 0 40 BEAB CC(C)(C)CC(=O)NC[C@@H]1CCCS1 89642990 WBJOONKJWGYQMA-VIFPVBQESA-N 215.362 2.434 0 40 BEAB Cc1nccn1C[C@@H](C)CSc1ncccn1 89735550 FYTKEZKFDROLGA-SNVBAGLBSA-N 248.355 2.410 0 40 BEAB CO[C@H]1CCCN(Cc2ccsc2)C1 91772860 MYAWGYNFDRSAMY-NSHDSACASA-N 211.330 2.359 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@@H](C)[C@@H](C)CO 95441341 ZGAHCYHKPHXQFJ-RYUDHWBXSA-N 235.327 2.050 0 40 BEAB C[C@@H](c1ccco1)N(C)C[C@@H]1CCOCO1 95960651 DGVBKZJTIIHEAR-QWRGUYRKSA-N 225.288 2.035 0 40 BEAB O=[N+]([O-])/C=C/c1cccc2c1OC(F)(F)O2 96171557 IRIIYMXCWBMNJQ-SNAWJCMRSA-N 229.138 2.256 0 40 BEAB CC(C)=CC(=O)NCCCNc1ccc(C)cn1 96449250 ZHJMBNLVWKGPQC-UHFFFAOYSA-N 247.342 2.274 0 40 BEAB COC[C@@H]1CCCN(c2cccc(C)n2)C1 97096465 QQJRALFLWWQAPD-GFCCVEGCSA-N 220.316 2.253 0 40 BEAB CC(C)(C)N(C=O)[C@H]1C[C@@H]2CCCC[C@H]2CN1 98073411 OYSOEADLBFGGKM-AVGNSLFASA-N 238.375 2.369 0 40 BEAB CC(C)C[C@@H](CO)CNC(=O)OC(C)(C)C 98210200 WCYJANVXBIHYCS-SNVBAGLBSA-N 231.336 2.166 0 40 BEAB in-vitro C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C1=CCCN1CCO 100531351 ZKIQIBMWSCOAME-OWTLIXCDSA-N 221.344 2.251 0 40 BEAB Cc1cccc(C(=O)N(C)CC(F)F)c1 103399314 ZJUUNHNNCQCSRW-UHFFFAOYSA-N 213.227 2.332 0 40 BEAB C[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@H](O)C=C[C@]56[C@H]([C@@H]1C)[C@@H]43 104290048 VVDJHGYLWXVZIO-IIHHWMTDSA-N 228.335 2.317 0 40 BEAB CCc1ccc(CC(=O)N2CCCC2)cc1 158089796 FWUVPZXFWDUYJH-UHFFFAOYSA-N 217.312 2.414 0 40 BEAB COC(=O)c1cc(C)c(Cl)cc1NC(C)=O 168241957 QMJDAQNHJVXKBU-UHFFFAOYSA-N 241.674 2.393 0 40 BEAB CCOC(=O)c1ccc(N2CCCC2=O)cc1C 199818477 WLNIAGIBWUAERX-UHFFFAOYSA-N 247.294 2.299 0 40 BEAB CC(C)(C)C(=O)Nc1cnc(N2CCCC2)nc1 224245751 DAHBYCJTAKFLIX-UHFFFAOYSA-N 248.330 2.061 0 40 BEAB CC[C@H](C(=O)O)N(C)c1ccc(C)cc1 224981342 ININPLQRWSMBMX-LLVKDONJSA-N 207.273 2.294 0 40 BEAB Cn1c(C2=CCc3ccccc32)n[nH]c1=S 228975629 JUSFTSYGNCTAPU-UHFFFAOYSA-N 229.308 2.465 0 40 BEAB Clc1ccc2c(c1)CC[C@]21COCCN1 306145792 QHWLSOZPXFURBL-LBPRGKRZSA-N 223.703 2.101 0 40 BEAB COC(=O)c1ccc(Cl)nc1OC(F)F 396136660 LSJJIQUABMGTQF-UHFFFAOYSA-N 237.589 2.123 0 40 BEAB CCOc1cnc2c(F)cccc2c1C(=O)O 685937632 VKYSAKRUWYFQAF-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB N=c1nc2c(c[nH]1)Cc1c(Cl)cccc1-2 1857793598 XGZIBSWVJQHFQV-UHFFFAOYSA-N 217.659 2.114 0 40 BEAB CC1=CC(C)(C)N2C(=O)[C@@H](O)c3cc(F)cc1c32 2033970189 XQBHEAUGSABEMP-LBPRGKRZSA-N 247.269 2.401 0 40 BEAB Cn1c2c(c(=O)c3ccc(Cl)cc31)CCO2 260921 FQEROKBENSSWBM-UHFFFAOYSA-N 235.670 2.127 0 40 BEAB O=C(NC1CCCC1)c1cnc2ccccc2n1 428041 WZLJUOKACAQFQD-UHFFFAOYSA-N 241.294 2.302 0 40 BEAB Cc1cc(Br)cc(OCC(=O)O)c1 1600218 DENHCCTWBMAPQY-UHFFFAOYSA-N 245.072 2.221 0 40 BEAB Nc1ccc2nc(-c3ccccc3)c(=O)oc2c1 1607651 CRLFSHUSCCHBEJ-UHFFFAOYSA-N 238.246 2.437 0 40 BEAB CC(C)Cn1c(NCCCO)nc2ccccc21 1805670 MOVWZILUCKFFKZ-UHFFFAOYSA-N 247.342 2.487 0 40 BEAB BrC1=C[C@H]2CC=CC[C@@H](C1)N2 4993052 ZBOJQGQSDVXMFH-BDAKNGLRSA-N 214.106 2.346 0 40 BEAB CC(=O)Sc1ncnc2ccccc12 5383353 XPDYYLCGFQEXPD-UHFFFAOYSA-N 204.254 2.268 0 40 BEAB O=C([C@@H]1CCCO1)N1CCCc2ccccc21 6341655 ZAEPPPXHXHKUSB-ZDUSSCGKSA-N 231.295 2.145 0 40 BEAB Cc1ccc(N2CC[C@H](CN)C2)cc1C 11891518 NKSNHGAXYRKHDG-GFCCVEGCSA-N 204.317 2.088 0 40 BEAB Cc1nn(C)c(C)c1C(=O)Nc1ccccc1 12978278 PVAREJDJSSOKCX-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CN(C[C@@H]1CCCCN1)C1CCCCC1 19434677 UMYLTPCKYCKKNA-LBPRGKRZSA-N 210.365 2.393 0 40 BEAB CCCCNCc1ccc(O)c(OC)c1 19906912 VAUHVWKMNXLDMD-UHFFFAOYSA-N 209.289 2.291 0 40 BEAB COc1ccccc1[C@H](C)NC(=O)C1CC1 19935141 VGCITDJXJLOFTQ-VIFPVBQESA-N 219.284 2.282 0 40 BEAB COC(C)(C)C[C@@H](C)NCc1cccnc1 20524651 RUTMHPLESCJQID-LLVKDONJSA-N 222.332 2.375 0 40 BEAB O=C(O)c1ccccc1OCc1cccnc1 21951657 DWKCENSYFZPFGQ-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro COc1ncccc1C(=O)N(C)c1ccccc1 32755126 VHQKAHPZBUUYFJ-UHFFFAOYSA-N 242.278 2.367 0 40 BEAB Cc1ccc(C(=O)N2CCCC[C@H]2C)cn1 32903743 XTDNGBXBCQCYLQ-LLVKDONJSA-N 218.300 2.405 0 40 BEAB Cc1ccccc1CN(C)C(=O)c1cnccn1 33000258 ICWJJKXVZKZWGN-UHFFFAOYSA-N 241.294 2.057 0 40 BEAB CN(C)C(=O)COc1cccc(C(F)(F)F)c1 34121628 RSMRTSSMBJPHAJ-UHFFFAOYSA-N 247.216 2.172 0 40 BEAB C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1 34304648 LTNNUMKAWAGPIS-DTWKUNHWSA-N 243.303 2.107 0 40 BEAB in-vitro CC(C)C(=O)Nc1cccc([C@@H](C)O)c1 35646424 XMOZKAQSEVGTBU-SECBINFHSA-N 207.273 2.334 0 40 BEAB CC[C@@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C 37002197 QGTMAQOCPCVLBK-GZMMTYOYSA-N 240.372 2.279 0 40 BEAB Cn1nc(-c2ccc(F)cc2F)cc1C(=O)O 38478101 IOXADXRCZDAVBX-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB in-vitro O[C@H](c1ccc2c(c1)OCCO2)c1ccco1 40247360 FBTUWAIKBCRIQX-CYBMUJFWSA-N 232.235 2.133 0 40 BEAB CC(=O)c1sc(-c2cc[n+](C)cc2)nc1C 43796854 VKZBTKGPZRTTEX-UHFFFAOYSA-N 233.316 2.146 0 40 BEAB Cc1ccc(CN2CCCC[C@H]2CN)s1 44539822 ORCMBXHNCCIXRO-NSHDSACASA-N 224.373 2.370 0 40 BEAB OCCN(Cc1ccc(Cl)cc1)C1CC1 48065472 WIYBLXNTQXGJAY-UHFFFAOYSA-N 225.719 2.297 0 40 BEAB C[C@H](NC(=O)Nc1cccnc1)c1cccnc1 48234276 NQRDIUYJZVLDLM-JTQLQIEISA-N 242.282 2.359 0 40 BEAB CN(Cc1ccco1)C(=O)Nc1cccnc1 48345098 XNXTWPBPYCTRSI-UHFFFAOYSA-N 231.255 2.339 0 40 BEAB CNCCc1cccc(C(F)(F)F)c1 53301889 QOGWLMDFIDRFDL-UHFFFAOYSA-N 203.207 2.467 0 40 BEAB CCCCCNCc1cnc(N2CCCC2)nc1 62717802 BFFQJCDUMQTRSL-UHFFFAOYSA-N 248.374 2.357 0 40 BEAB Cc1cnc(NC(=O)c2cccn2C)s1 69350384 RRZHWWKFLWPGOV-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB Cc1cc(CCC(=O)O)cc([C@H]2CCCN2C)n1 72384583 WYWSUISYDFUGLB-CYBMUJFWSA-N 248.326 2.174 0 40 BEAB O=C(O)c1ccc(CCN2CCCCC2)cc1 82656859 HWRLUKRBTODUJQ-UHFFFAOYSA-N 233.311 2.413 0 40 BEAB CNC(=O)Nc1cc(F)ccc1OC(F)F 89391661 WLLANWIGUHOCAS-UHFFFAOYSA-N 234.177 2.178 0 40 BEAB c1cc(SCCOC[C@@H]2CCCO2)ccn1 89884988 GILHCLPYBIGWDT-NSHDSACASA-N 239.340 2.369 0 40 BEAB CCC1(C(=O)NC[C@@H]2CCCNC2)CCCC1 94899350 MRRUUPZCIYEAMK-GFCCVEGCSA-N 238.375 2.073 0 40 BEAB CCc1c(O)c2cccc(Cl)c2[nH]c1=O 95670570 NUBTVHRMCBDAGY-UHFFFAOYSA-N 223.659 2.450 0 40 BEAB CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccoc1 96454451 OHUVNAZTIWFMJE-CMPLNLGQSA-N 237.299 2.071 0 40 BEAB COc1cc(C)c(Br)nc1OC 98179596 XQHPLQOOHHDFDO-UHFFFAOYSA-N 232.077 2.170 0 40 BEAB OC1=CC(=S)N[C@H](c2ccccc2)C1 104238665 CLWYSBLKXZDXQW-JTQLQIEISA-N 205.282 2.490 0 40 BEAB Cc1ccc([C@H]2CCN(C)C[C@@H]2CO)cc1 167836119 PNSQELDDLYCOEM-ZIAGYGMSSA-N 219.328 2.023 0 40 BEAB CC(C)(C)CCSCC(=O)N1CCOCC1 187560633 WNLUHMHSRBZIIH-UHFFFAOYSA-N 245.388 2.015 0 40 BEAB Cc1cnc([C@H]2CCN(Cc3ccncc3)C2)[nH]1 205694749 ZDDBLBDIIDRJRV-ZDUSSCGKSA-N 242.326 2.103 0 40 BEAB CNCC[C@H](CCO)c1cccc(C)c1 217800914 WKFGAMDHOUIIDV-GFCCVEGCSA-N 207.317 2.071 0 40 BEAB CN1C[C@H](c2ccccc2Cl)[C@@H](C(=O)O)C1 225608180 HCJHMZIYDMKGHF-ZJUUUORDSA-N 239.702 2.070 0 40 BEAB C[C@H]1CCCc2nc3cc(C(N)=O)ccc3n21 226252462 JECWQSSEHYJVAC-QMMMGPOBSA-N 229.283 2.033 0 40 BEAB C[C@@]12CC[C@@H](C[C@H]1N)[C@@]2(C)CCC(=O)O 242687445 UFZBZBFBJHZVMJ-LUTQBAROSA-N 211.305 2.005 0 40 BEAB CC[C@@]1(C)C[C@@]1(NC(=O)OC(C)(C)C)C(=O)O 256054227 VMWKUNWKNWCOQY-NWDGAFQWSA-N 243.303 2.155 0 40 BEAB C[C@@H]1[C@@H]2CCC[C@@H](O)[C@@]2(C)CCC12OCCO2 2362801364 AVQNPOPDEYOOKP-XQHKEYJVSA-N 240.343 2.327 0 40 BEAB Cc1nnc(NC(=O)CC(C)(C)C)s1 285389 UEYUGJJYXAZOGC-UHFFFAOYSA-N 213.306 2.221 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)CC)nc1 1358267 BWFDYZYKOQNQPN-UHFFFAOYSA-N 235.287 2.169 0 40 BEAB COC(=O)/C=C/c1ccc(C(=O)C2CC2)cc1 1386607 SRONYUUWYHVFHY-RUDMXATFSA-N 230.263 2.466 0 40 BEAB CCOC(=O)c1ccnc2ccc(OC)cc12 1576971 AMTCPYGXTNRQQZ-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB COc1cc2ccc(CCN)cc2cc1OC 1728977 XXZYDGAHBFPCSZ-UHFFFAOYSA-N 231.295 2.358 0 40 BEAB CCOC(=O)c1cc(F)c(F)c(OC)c1F 2243311 ZXFYRSUEOKXKOQ-UHFFFAOYSA-N 234.173 2.289 0 40 BEAB CSc1nc(=S)c2[nH]c(Cl)nc2[nH]1 4353709 DCHIFKUHEMRCQS-UHFFFAOYSA-N 232.721 2.391 0 40 BEAB O=C(Nc1cc(F)ccc1F)c1cnccn1 5937177 XEHAXRSKOVNRMD-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB Cc1ccc(C)c(NC(=O)CN2CCCC2)c1 7786174 PIBZKTUXZSEKMO-UHFFFAOYSA-N 232.327 2.338 0 40 BEAB Cc1ccc(-c2nnc(S)n2C)s1 16958075 HGZUIOBEODWLSX-UHFFFAOYSA-N 211.315 2.141 0 40 BEAB CC(=O)[C@@H](C)Sc1nnc(-c2ccc[nH]2)o1 18366557 RLLVHNPZLFZCTN-SSDOTTSWSA-N 237.284 2.134 0 40 BEAB NN[C@@H](c1ccccc1)c1ccc(F)cc1 19267755 KGJKXTQOLRZGFB-ZDUSSCGKSA-N 216.259 2.378 0 40 BEAB CCCCOc1ccc(-c2nnc(N)o2)cc1 19479880 GXIQQCJUWDVEJP-UHFFFAOYSA-N 233.271 2.498 0 40 BEAB c1ccc(CNCc2ccsc2)nc1 19957095 NUZCOXOEWKOODU-UHFFFAOYSA-N 204.298 2.433 0 40 BEAB Cc1nc(CNc2cccnc2)cs1 20252815 CQWOITUIDNHVGQ-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB Cc1ccc(C(=O)Nc2nnc(C)s2)s1 20885994 SQZSXSQHAPMDEU-UHFFFAOYSA-N 239.325 2.469 0 40 BEAB Nc1ccc(F)c(NC(=O)C2CCC2)c1 21962381 ZWRVASDHLJQWGD-UHFFFAOYSA-N 208.236 2.147 0 40 BEAB Cc1cc(CN(C)C(=O)/C=C/c2ccco2)no1 31651590 ULGWXABNSUQOIC-AATRIKPKSA-N 246.266 2.248 0 40 BEAB Cc1nn(-c2ccccc2)cc1CCCN 32627131 MEQSXUXURIRFNS-UHFFFAOYSA-N 215.300 2.072 0 40 BEAB COc1ccc2cc(C(=O)N(C)C)c(C)nc2c1 32843964 RUJDFUADEPHTST-UHFFFAOYSA-N 244.294 2.254 0 40 BEAB CNC[C@H]1CCCCN1Cc1ccccc1 33961910 OMJZRIGOKXUQEC-CQSZACIVSA-N 218.344 2.261 0 40 BEAB CNCCCc1cc(-c2ccc(F)cc2)n(C)n1 36378485 NZMYAVCPPFEQKI-UHFFFAOYSA-N 247.317 2.378 0 40 BEAB in-vitro Nc1cccc(-c2ncc3n2CCCC3)c1 36644195 QFDLEXRNARNIIA-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB in-vitro Cc1nn(-c2ccccn2)c(Cl)c1C=O 36905269 FJNVPUVZXCCVQB-UHFFFAOYSA-N 221.647 2.042 0 40 BEAB in-vitro CCN(CCO)C(=O)Nc1ccccc1Cl 37864320 PXJNYTQRZGPEIP-UHFFFAOYSA-N 242.706 2.186 0 40 BEAB COc1cc2c(cc1Br)OCO2 38302484 NYSXBFLEQUHZNB-UHFFFAOYSA-N 231.045 2.186 0 40 BEAB Cc1cc(Br)n2ccnc2c1 38313076 SZHBHTDASBBWFA-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB c1ccc(CN2C[C@@H]3CC[C@H](C2)O3)cc1 38844835 FWPBWDMKQQRHHZ-BETUJISGSA-N 203.285 2.050 0 40 BEAB CCOC(=O)[C@@H](N)Cc1csc2ccccc12 44340501 JFXATFHFXAOZDY-NSHDSACASA-N 249.335 2.334 0 40 BEAB COc1ccc(OCCCC(=O)NC2CC2)cc1 45828976 WFNFSRVJNFGAKK-UHFFFAOYSA-N 249.310 2.133 0 40 BEAB O=C(NCC1CCC1)Nc1cccnc1 47956080 ROPAJXOJPIPOMK-UHFFFAOYSA-N 205.261 2.003 0 40 BEAB CCCCNC(=O)Nc1ccc(N(C)C)nc1 48092052 WEOXAVKWQOUGAQ-UHFFFAOYSA-N 236.319 2.069 0 40 BEAB COc1ncccc1NC(=O)Nc1cccnc1 48768002 YFPBPCVKVGZCBT-UHFFFAOYSA-N 244.254 2.129 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@H](O)[C@H](N)CCO2 62617660 FXSIZWRFJHHEIR-YPMHNXCESA-N 235.327 2.127 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@H]2[C@H](C)O)c1 62713850 ZEKOAWYKSMNJMM-LSJOCFKGSA-N 222.284 2.188 0 40 BEAB CC(C)N(C)CCNC(=O)C1(C)CCCC1 69157001 BYHUSKULDHNDKA-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB C[C@H](CC(=O)N1CCN[C@H](C)C1)CC(C)(C)C 71978897 MAIZCWMVHAYQEK-VXGBXAGGSA-N 240.391 2.269 0 40 BEAB CCOC(=O)C(F)(F)c1ccc(N)c(F)c1 77034355 YPVQAUQHJNMZJP-UHFFFAOYSA-N 233.189 2.063 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](c2cc[nH]n2)C1 79069527 WLWKRGQGMWUYIB-SECBINFHSA-N 237.303 2.134 0 40 BEAB CN1CCC[C@H](C(=O)NC2CCCCCC2)C1 82317352 KUIQQBKDGDLPQQ-LBPRGKRZSA-N 238.375 2.167 0 40 BEAB Cc1ccc(CCNc2nc(C)cc(C)n2)cn1 84191254 IDWNFBSYCWOGHJ-UHFFFAOYSA-N 242.326 2.451 0 40 BEAB OCc1cc(F)cc(OC(F)(F)F)c1 91251977 WJTUZFGGSZDUKV-UHFFFAOYSA-N 210.126 2.217 0 40 BEAB CC(C)(C)n1cc(Cl)nc(Cl)c1=O 95096575 JWNICIHNNGINNK-UHFFFAOYSA-N 221.087 2.305 0 40 BEAB COc1ccc(OC)c([C@H](O)c2cccn2C)c1 95727742 OHXDBXCLGLCOEX-AWEZNQCLSA-N 247.294 2.124 0 40 BEAB COCCOCCSc1ccc(C)cn1 95964266 QWIXOKSGRLVPIV-UHFFFAOYSA-N 227.329 2.145 0 40 BEAB CC(C)(C)OC(=O)CS[C@@H]1CCCOC1 96001697 PKXOCPPBJDQEIY-SECBINFHSA-N 232.345 2.240 0 40 BEAB CCCCCN1CC(=O)N[C@H]1c1ccsc1 96500004 VCEXSDWFXZYNGR-GFCCVEGCSA-N 238.356 2.369 0 40 BEAB CCOCCn1nc(C2CC2)nc1C1CC1 96501121 XHOXJFWIAPKEFD-UHFFFAOYSA-N 221.304 2.069 0 40 BEAB Cc1ccc(CCNc2ccn(C)n2)cc1 97048072 JOSPLTTYVNWJOK-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB COC(=O)[C@H](NCc1ccsc1)C(C)(C)C 97162280 MNOPMORBIRYDBI-JTQLQIEISA-N 241.356 2.425 0 40 BEAB C[C@@]12C[C@H]3C[C@@](CN)(C1)C[C@@](CCN)(C3)C2 100153282 LGRQKGNPTUVCEK-ZOBORPQBSA-N 222.376 2.271 0 40 BEAB O[C@@H]1C[C@@H]2CC[C@@H]1N(Cc1ccccc1)C2 101722320 LSQZRPLAUOVRPZ-MELADBBJSA-N 217.312 2.032 0 40 BEAB Cc1cc(Cl)ccc1CN(C)C[C@H](C)O 120497861 MJVUYPKCUAHNSU-JTQLQIEISA-N 227.735 2.461 0 40 BEAB N[C@@H]1CCCC[C@H]1Oc1cnc2ccccc2n1 136478700 NEKILVJZHSQBOX-ZWNOBZJWSA-N 243.310 2.279 0 40 BEAB Cc1ccc(-c2nc(CO)c(C)o2)cc1 144895474 VDDBRZJNFWSEGV-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB CC[C@@H]1NCCC[C@@H]1[C@@H](O)c1ccccc1 216536438 HTUWJVPCNGAXBL-IHRRRGAJSA-N 219.328 2.498 0 40 BEAB CN1C[C@H](C(=O)O)[C@H](c2cccc(Cl)c2)C1 216590901 LYKVXZWRFQNWBF-QWRGUYRKSA-N 239.702 2.070 0 40 BEAB CC[C@H](C(=O)N1C[C@H](O)C[C@@H]1C)c1ccccc1 385168430 VFNBFPIPWRDAIK-YUTCNCBUSA-N 247.338 2.162 0 40 BEAB CCOc1ccc2c(c1)[C@H](CC(=O)OC)CO2 585656401 UWSBZQFOJJCQSS-SECBINFHSA-N 236.267 2.124 0 40 BEAB CC1(C)Cc2nc(Cl)c(C(=O)O)cc2CO1 198544 HXKKGIJJSWDNKE-UHFFFAOYSA-N 241.674 2.285 0 40 BEAB CC(C)OC(=O)COc1ccc(F)cc1F 1732324 WLRUFMTXGRRXLA-UHFFFAOYSA-N 230.210 2.295 0 40 BEAB O=C(Nc1ccc(F)cc1)c1ccc(=O)oc1 2295368 OENFVGHDPCEJET-UHFFFAOYSA-N 233.198 2.031 0 40 BEAB O=C1O[C@H](O)c2cc(Cl)c(Cl)cc21 3847624 AYZIELGHYOUWQP-ZETCQYMHSA-N 219.023 2.155 0 40 BEAB biogenic Cc1ccc2[nH]c(=O)cc(C(=O)OC(C)C)c2c1 5027249 DHIQZSISNAEKKJ-UHFFFAOYSA-N 245.278 2.402 0 40 BEAB CC[C@]1(C)C(=O)c2ccccc2N(C)C1=O 5327991 BBQNGGYRGPXQNA-CYBMUJFWSA-N 217.268 2.262 0 40 BEAB CCC(CC)n1nc(O)c2c(C)cc(=O)[nH]c21 9356932 PINVZZVBXQVGMO-UHFFFAOYSA-N 235.287 2.100 0 40 BEAB CC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 9910965 OUUSUWDBJLTITN-NSHDSACASA-N 248.326 2.157 0 40 BEAB Cc1ccc(N)cc1N1CCCCC1=O 11920103 ROFVFYUZNNIHNE-UHFFFAOYSA-N 204.273 2.094 0 40 BEAB CC(C)C[C@H](N)C(=O)N(C)Cc1ccccc1 11960961 RLBDAOSSJZBCNF-ZDUSSCGKSA-N 234.343 2.018 0 40 BEAB O=C(O)c1ccc(N2CCCCCC2)nc1 12879742 XBMNSFACTKHIEP-UHFFFAOYSA-N 220.272 2.160 0 40 BEAB in-vitro FC(F)(F)c1ccc(O[C@H]2CCNC2)cc1 14632236 PCAYMJNBVVDVHU-JTQLQIEISA-N 231.217 2.446 0 40 BEAB in-vitro CCCn1c(=N)n(CC)c2ccccc21 20023396 SHDOJICOOSZOSL-UHFFFAOYSA-N 203.289 2.352 0 40 BEAB in-vitro Cn1cc(NC(=O)CCc2cccc(F)c2)cn1 25307917 OSIQLXSVPHMWAL-UHFFFAOYSA-N 247.273 2.131 0 40 BEAB O=c1[nH]cncc1Oc1cccc(Cl)c1 25984408 BCUHLBGBTBCTIX-UHFFFAOYSA-N 222.631 2.216 0 40 BEAB C[C@](N)(CCSCc1ccccc1)C(=O)O 29753873 SPJSMNWJNWKBOQ-LBPRGKRZSA-N 239.340 2.112 0 40 BEAB CCc1ccccc1NC(=O)NCCOC 36179377 MKRJCIWOLZQOJV-UHFFFAOYSA-N 222.288 2.017 0 40 BEAB CN(C)[C@](C)(C(=O)O)c1ccccc1Cl 37357837 SSFSBZIYUHQCTL-NSHDSACASA-N 227.691 2.201 0 40 BEAB CC(C)C[C@H](NCCc1ccccc1)C(=O)O 43431787 SNOWOOKUBDBOKX-ZDUSSCGKSA-N 235.327 2.318 0 40 BEAB CCC[C@@H](C(=O)N1CCOCC1)c1ccccc1 46869898 RPCVPNFFJLOSMC-CQSZACIVSA-N 247.338 2.429 0 40 BEAB Cc1cc(-n2ccnc2)ccc1CNC1CC1 50585119 JBJACHWUXUKGSP-UHFFFAOYSA-N 227.311 2.433 0 40 BEAB COCCCCOC(=O)CCCCC(C)=O 56897679 TVLGHLHIXIHHHO-UHFFFAOYSA-N 230.304 2.106 0 40 BEAB C[C@H](Cn1cc(N)cn1)c1ccccc1 67799366 DOZGYBDZFYVQKH-SNVBAGLBSA-N 201.273 2.269 0 40 BEAB FC(F)(F)Oc1cccc(CC2CNC2)c1 71790889 UUJBVWVQMVQLQI-UHFFFAOYSA-N 231.217 2.347 0 40 BEAB in-vitro CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C 71799472 JFYPROAWMPWVIG-HTQZYQBOSA-N 220.263 2.082 0 40 BEAB CSc1ccc([C@H]2CCCN2C(C)=O)cn1 72216874 WRQZKRWBXDIGFW-LLVKDONJSA-N 236.340 2.487 0 40 BEAB CC(C)N1CCC[C@H](c2ccnc(N(C)C)n2)C1 72356989 OFJFZBDPAIXHCN-LBPRGKRZSA-N 248.374 2.130 0 40 BEAB CN1CCC(c2ccc(C=O)cc2)CC1 75906202 PFVXJXKRYVIDLJ-UHFFFAOYSA-N 203.285 2.308 0 40 BEAB CC(=O)[C@@H]1C[C@@H](c2cccc(F)c2)OC1=O 77333130 CFOCFKDZKICAPN-QWRGUYRKSA-N 222.215 2.019 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)CCOc1ccccc1 78536735 ABSMQPPSBRUITQ-AAEUAGOBSA-N 233.311 2.180 0 40 BEAB CCc1cc(NCC2(O)CCCCC2)nc(C)n1 88760504 ZDYUQNSYFPNCEB-UHFFFAOYSA-N 249.358 2.455 0 40 BEAB c1cc2occc2c(NC[C@@H]2CCCO2)n1 89884771 LLKHHOJUTPJQFH-VIFPVBQESA-N 218.256 2.419 0 40 BEAB CC(C)(C)OC(=O)/C=C/c1cccnc1 94755535 BINGWTOENXKHEV-VOTSOKGWSA-N 205.257 2.437 0 40 BEAB O=C(NCC(F)(F)F)C1CCC(F)(F)CC1 129502294 YOTOGNPHYISDIH-UHFFFAOYSA-N 245.191 2.490 0 40 BEAB O=Cc1cc(O)c(Br)cc1F 145668406 ZIVHIZJMGKBLFK-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB OCCC1CC(OCc2ccccc2)C1 204946763 XRRIKBDQUYGZOS-UHFFFAOYSA-N 206.285 2.364 0 40 BEAB Cc1cccc(OCc2ncc(C=O)cn2)c1C 217376709 LZJSWAURQSJIRQ-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB CCCO[C@@H](Cc1cccc(OC)c1)C(=O)O 225100693 CKOIIWBKTDYSTP-LBPRGKRZSA-N 238.283 2.118 0 40 BEAB CCOC(=O)[C@H]1CCC[C@@H]2OC[C@@H](C)[C@@H]21 225760426 XUJUJWPNVYKNBP-VPOLOUISSA-N 212.289 2.001 0 40 BEAB CCOC(=O)[C@H]1CCC[C@H]2OC[C@@H](C)[C@H]12 225760464 XUJUJWPNVYKNBP-LMLFDSFASA-N 212.289 2.001 0 40 BEAB COCCCNCc1cnn(C2CCCC2)c1 256051871 KVAWEPBUJUPSGI-UHFFFAOYSA-N 237.347 2.124 0 40 BEAB CCCn1ccc(NCc2c(C)cnn2CC)n1 256053077 PWGDUKQPGFHCQV-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB COC(=O)CC[C@H]1CCC2(CCNCC2)C1 382700127 CFEQXBCZRFSKKM-NSHDSACASA-N 225.332 2.110 0 40 BEAB O=Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-] 396098473 QIEGEVSJEBZMHB-UHFFFAOYSA-N 235.117 2.306 0 40 BEAB CC(C)(F)C[C@@H](NCc1ccccc1)C(=O)O 504767207 ICPHPLXSJSGZTP-LLVKDONJSA-N 239.290 2.368 0 40 BEAB CC(C)(C)[C@H]1CSCCN1Cc1cc[nH]n1 931593073 UMLNIJPTCJBNBX-LLVKDONJSA-N 239.388 2.373 0 40 BEAB COC(=O)[C@@H]1CCC[C@H](OC(F)(F)F)C1 953033814 ONELURHMQSHRTE-RQJHMYQMSA-N 226.194 2.255 0 40 BEAB CCC(=O)NC[C@H]1C[C@@H]1c1cccc2c1CCO2 7359 PTOIAAWZLUQTIO-MFKMUULPSA-N 245.322 2.251 0 40 BEAB in-vitro NNc1nc(-c2ccco2)cc(C(F)(F)F)n1 2537727 DUTBDMVHMDUFIT-UHFFFAOYSA-N 244.176 2.041 0 40 BEAB COCCCNc1ncnc2ccccc12 3161224 VGMIGKZUVDQQKN-UHFFFAOYSA-N 217.272 2.078 0 40 BEAB COC(=O)[C@@]1(C)C(C)=Nc2ccccc21 3847652 ZKBXKXSNSYTRRR-LBPRGKRZSA-N 203.241 2.223 0 40 BEAB biogenic CC(=O)CCN1[C@@H](C)[C@H]1c1ccccc1 4775897 WBNBQIWRPXNAJC-ULVQEXTCSA-N 203.285 2.411 0 40 BEAB CO[C@H]1NC(=S)N(C2CCCCC2)C1(C)C 5742390 CULUOJGUXHAMAF-SNVBAGLBSA-N 242.388 2.260 0 40 BEAB Cc1cccnc1NS(=O)(=O)c1ccccc1 6207061 IABJPRGBIIDROW-UHFFFAOYSA-N 248.307 2.191 0 40 BEAB CCSc1ncn(-c2ccccc2)n1 7069087 ZLRGVSPQXLTZKM-UHFFFAOYSA-N 205.286 2.379 0 40 BEAB CCCNC(=O)CSc1ccccc1 8186098 CXKBVVRGSQTRMN-UHFFFAOYSA-N 209.314 2.305 0 40 BEAB CCCC[C@H](C)n1nc(O)c2c(C)cc(=O)[nH]c21 9359789 IFSZEJZEMKAYGZ-VIFPVBQESA-N 249.314 2.490 0 40 BEAB Cc1cccc2[nH]c(CCCC(=O)O)nc12 19737056 SPVVTROJTJLEJZ-UHFFFAOYSA-N 218.256 2.279 0 40 BEAB CCN(CC)c1ccc(C(N)=S)cc1 19866546 RVBXDLIPLQVDRT-UHFFFAOYSA-N 208.330 2.167 0 40 BEAB in-vitro CCN1CCC[C@H]1CN[C@@H](C)CC(C)C 19959994 PQJZOMSAPMTJFK-STQMWFEESA-N 212.381 2.495 0 40 BEAB CC[C@@H](C)OC(=O)c1ccc(OC)c(N)c1 20155863 VUWJXVNHSHBXTR-MRVPVSSYSA-N 223.272 2.233 0 40 BEAB CCOC(=O)CC(=O)c1ccc(OCC)cc1 20475422 TUIRQRHLTQSYCN-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB COc1cc2c(c(OC)c1)C(=O)[C@@H](C)C2 21989837 IFZXCQPMQSSVKJ-ZETCQYMHSA-N 206.241 2.079 0 40 BEAB C[C@@]1(O)CCCN(Cc2ccccc2)C1 34516237 XOOUIRSDEYKUGM-CYBMUJFWSA-N 205.301 2.033 0 40 BEAB in-vitro CCCc1cc(N)n(-c2ccccc2)n1 36938417 FQRXJKWGQLGYDO-UHFFFAOYSA-N 201.273 2.407 0 40 BEAB CC(C)Nc1ccc(CC(=O)N(C)C)cc1 37068728 XIYIQZXSKUBWSW-UHFFFAOYSA-N 220.316 2.138 0 40 BEAB CCOCCCNC(=O)Cc1cc(C)ccc1C 38755885 VTQSFLLTYODZBW-UHFFFAOYSA-N 249.354 2.389 0 40 BEAB O[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1 40412270 DBQYPLRZSXIRJM-QMMMGPOBSA-N 247.125 2.350 0 40 BEAB COc1ccc(CNC(=O)C2CCC2)cc1 40458957 DORCWEPPDJTIPO-UHFFFAOYSA-N 219.284 2.112 0 40 BEAB Cc1ncsc1C(=O)N1CCC[C@@H](C)C1 40529070 GUARDLCYGJCUSF-MRVPVSSYSA-N 224.329 2.324 0 40 BEAB CCOC(=O)c1cc(N)ccc1N1CCCC1 41079690 VSUVOSUODLQBLG-UHFFFAOYSA-N 234.299 2.046 0 40 BEAB OC1CCN(CCCc2ccccc2)CC1 41233270 DQMITGUZEYCJIU-UHFFFAOYSA-N 219.328 2.076 0 40 BEAB CN(C)C(=O)C1(c2cccc(Cl)c2)CC1 41501418 OFKDBIMNWSHCTQ-UHFFFAOYSA-N 223.703 2.460 0 40 BEAB CCc1nc(CN2CCSCC2)cs1 47993488 PINATZFEIHWQIT-UHFFFAOYSA-N 228.386 2.254 0 40 BEAB CCc1ccc(C(=O)NCc2ccc(C)nc2)o1 49200886 UPIKEKBNDRKONK-UHFFFAOYSA-N 244.294 2.475 0 40 BEAB Cc1c(NC(=O)[C@H]2C[C@@H]2C)cccc1C(=O)O 57351899 TYGGYUZQLBNKGD-XVKPBYJWSA-N 233.267 2.288 0 40 BEAB O=C1C[C@H](C2CCNCC2)Oc2ccccc21 57467225 JBCIAPJWJRAGQG-CQSZACIVSA-N 231.295 2.020 0 40 BEAB c1coc(-c2nnc(CN3CCCCC3)o2)c1 58013670 OAJKJEQUIGINJE-UHFFFAOYSA-N 233.271 2.316 0 40 BEAB C[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 59681448 HYTHUSLXQOXIBJ-UWVGGRQHSA-N 229.320 2.157 0 40 BEAB in-vitro Nc1cc(-c2ccc3ncccc3c2)n[nH]1 61415416 XUXZOWAJYZBOPB-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)O 62015241 XZPORNPFGDMVGS-QMMMGPOBSA-N 227.691 2.417 0 40 BEAB CCCNc1ncc(CNCCC(C)C)cn1 62717721 SOVOMMIHORZUMA-UHFFFAOYSA-N 236.363 2.434 0 40 BEAB CC(C)(C)n1cc(NC(=S)NC2CC2)cn1 65710564 RKKUMPQJMNFBHO-UHFFFAOYSA-N 238.360 2.087 0 40 BEAB Cc1cn(Cc2cccc(Cl)c2)nc1N 69606285 JGBNQVVERHKKQO-UHFFFAOYSA-N 221.691 2.475 0 40 BEAB CSc1ccc(NC(=O)Nc2cn[nH]c2)cn1 69775236 ZSQDWLZZFQTYNO-UHFFFAOYSA-N 249.299 2.171 0 40 BEAB CNCc1ccc(N2CCCCC2)nc1C 72224557 PJRUTXLYMXKHAS-UHFFFAOYSA-N 219.332 2.100 0 40 BEAB CC(C)Nc1cnc(C[C@H]2CCCNCC2)cn1 72386694 GATGUSNOILDXBZ-LBPRGKRZSA-N 248.374 2.229 0 40 BEAB Cc1noc(C)c1CN(C)CCc1ccncc1 75696647 OKEVMCVENJRWJU-UHFFFAOYSA-N 245.326 2.361 0 40 BEAB COc1cc(N2CCCCC2)ccc1C(=O)O 82656945 BPOQCWVUKOZMHL-UHFFFAOYSA-N 235.283 2.384 0 40 BEAB C[C@H](NCc1ccco1)c1nnc2n1CCCC2 84668007 CEFNTGQTYXIUMR-JTQLQIEISA-N 246.314 2.058 0 40 BEAB CCN1CC[C@@]12CCN(Cc1ccccc1F)C2 96090184 BSECRFUCVOVEKD-OAHLLOKOSA-N 248.345 2.496 0 40 BEAB Cc1c(F)ccc(Br)c1N 97442010 IYYBCWAPDMWOPG-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB CCC1=C[C@H](c2ccccc2)N2NC=NC2=N1 100522422 BRCOZBAVMNZGPF-GFCCVEGCSA-N 226.283 2.240 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](O)[C@H]2C1 101966136 HNXZTSDGBCYUOE-OUAUKWLOSA-N 241.331 2.014 0 40 BEAB in-vitro C[C@@H](O)c1cc(Br)ccc1N 107995774 RTIGSRQGUBHYLG-RXMQYKEDSA-N 216.078 2.085 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@H](C)O)c(OC)c1 108350640 CULABQLGBWDNOG-AXTRIDKLSA-N 222.284 2.188 0 40 BEAB Nc1ccccc1-c1nc2ccncc2o1 113332425 ZJVXAGUYZMCOJS-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 131630213 CJAQGNWNALLARN-QWHCGFSZSA-N 219.284 2.043 0 40 BEAB CCOC(=O)[C@H](C#N)c1cc(F)cc(OC)c1 146624147 BBJUMMDFVHGQFB-LLVKDONJSA-N 237.230 2.005 0 40 BEAB CC(C)CN1C(=O)CCc2cc(O)ccc21 147379187 IEGYINOACPMZID-UHFFFAOYSA-N 219.284 2.327 0 40 BEAB Cc1cccc(NC[C@H](C)Cn2cccn2)n1 157113113 SXJMSSWRDMFHBZ-NSHDSACASA-N 230.315 2.335 0 40 BEAB Cn1cc(Cc2ccccc2Cl)nc1N 199550729 SBPIYNBGUOLCDC-UHFFFAOYSA-N 221.691 2.247 0 40 BEAB Nc1cc(/C=C/C(=O)O)ccc1Br 216929369 SPVMRXSSDQWALR-DUXPYHPUSA-N 242.072 2.129 0 40 BEAB Cc1nc(SC(F)F)c(C(=O)O)s1 218308751 GENDMEPOWLEJLW-UHFFFAOYSA-N 225.241 2.464 0 40 BEAB CCCCC(=O)N1CC[C@@H](SC)C1 225614340 ZHYFERAKWCPOCA-SECBINFHSA-N 201.335 2.141 0 40 BEAB CN(CCSC(C)(C)C)CCn1cccn1 252485964 HGEANBHVHSDEAS-UHFFFAOYSA-N 241.404 2.347 0 40 BEAB Fc1cccnc1OC[C@H]1CCCCO1 585654974 OZCDOIDZNTWXJY-SECBINFHSA-N 211.236 2.169 0 40 BEAB COC(=O)NCC(C)(C)c1ccsc1 1565519496 QFSHGTHDERCILM-UHFFFAOYSA-N 213.302 2.382 0 40 BEAB CCSc1nnc([C@@H](N)Cc2ccccc2)o1 525135 XFKKBHQXKGVWHM-JTQLQIEISA-N 249.339 2.424 0 40 BEAB CC(=O)COC(=O)c1ccc2ccccc2c1O 563632 HIRUXWRSRRNOMP-UHFFFAOYSA-N 244.246 2.291 0 40 BEAB CCCn1nnnc1-c1ccc(Cl)cc1 1405200 QYJASCFIEIXHPW-UHFFFAOYSA-N 222.679 2.404 0 40 BEAB CCOC(=O)CCC(=O)Nc1ccc(F)cc1 5869156 RTKNYLDWILXYSZ-UHFFFAOYSA-N 239.246 2.108 0 40 BEAB CC(=O)Nc1cccc(C(=O)N[C@H](C)C(C)C)c1 9364108 NIWYCIPEZMJNDW-SNVBAGLBSA-N 248.326 2.419 0 40 BEAB CCn1nc(C)cc1NC(=O)Cc1ccccc1 13656628 BRAFDEDHGKCMAI-UHFFFAOYSA-N 243.310 2.393 0 40 BEAB C[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 19437176 LCUJMQMTEDSTLS-OCCSQVGLSA-N 246.354 2.335 0 40 BEAB C[C@@H]1CC[C@H]2C(=O)C[C@@H](O)[C@@H]3[C@@H]([C@H]12)C3(C)C 19800971 FVMMGLODIHOTCO-UOKWGXNASA-N 222.328 2.255 0 40 BEAB biogenic,in-vitro CC(=O)c1ccc(N2CCO[C@@H](C)C2)c(F)c1 19871014 VFDURTIEEHFFHB-VIFPVBQESA-N 237.274 2.253 0 40 BEAB COCCN[C@H](C)CCc1ccccc1 19881269 RDQVEHGTKYJLBS-GFCCVEGCSA-N 207.317 2.244 0 40 BEAB Cc1ncc(C(=O)NCc2ccccc2)c(C)n1 19936916 VWIHBIWKBHWXIJ-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB CCn1ccc(CNCc2cccs2)n1 20351136 MBGDEGFXARKPII-UHFFFAOYSA-N 221.329 2.254 0 40 BEAB CC(C)NC(=O)Nc1ccc2nsnc2c1 20535249 ASUGRWORNCNITM-UHFFFAOYSA-N 236.300 2.221 0 40 BEAB CCCc1noc(COc2ccc(C=O)cc2)n1 22120861 WBZGARGBSOEVGC-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB CCCNC(=O)c1ccc2nc(C)c(C)nc2c1 32740615 JZFNWKCUOWHSEW-UHFFFAOYSA-N 243.310 2.386 0 40 BEAB Cc1cc(C(=O)N(C)C)c2cnn(C(C)C)c2n1 32859712 WUGBUPCVZUKACX-UHFFFAOYSA-N 246.314 2.022 0 40 BEAB Cc1n[nH]c(C)c1CNCCc1cccs1 36864595 NITCHUIVQBBWDL-UHFFFAOYSA-N 235.356 2.420 0 40 BEAB COc1cccc(-c2c[nH]cc2C(=O)O)c1 37245322 MWVGZRPLEPVDAB-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB in-vitro O=C(O)c1cc(F)ccc1OC(F)F 38530029 IZQYQUSKIYZJCN-UHFFFAOYSA-N 206.119 2.125 0 40 BEAB O[C@@H](CCN1CCCC1)c1ccccc1 39234105 OXWWUXGRBQMMFI-ZDUSSCGKSA-N 205.301 2.206 0 40 BEAB Cc1ccc(C(=O)N2CCSCC2)s1 40542012 AQASCLGSKHTIGJ-UHFFFAOYSA-N 227.354 2.246 0 40 BEAB CN(C)[C@H](CCN)c1cccc(Cl)c1 41226731 WKEJSKGEBMEZJS-LLVKDONJSA-N 212.724 2.292 0 40 BEAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)sc1C 44892775 GUZGQCPMQBYTEA-VIFPVBQESA-N 239.340 2.226 0 40 BEAB COC(=O)[C@H](C)Oc1ccc(Cl)cc1C=O 49850850 XGHYOLDOFLWAHM-ZETCQYMHSA-N 242.658 2.093 0 40 BEAB CC(C)NC(=O)C[C@H](CC(=O)O)c1ccccc1 57537682 YBIIGQFNFKEDAM-GFCCVEGCSA-N 249.310 2.160 0 40 BEAB CC(C)COC(=O)[C@@H](C)NC(=O)c1ccccc1 57971217 TUZNQHDOUFSITG-LLVKDONJSA-N 249.310 2.004 0 40 BEAB CC(C)N(C(=O)c1cccnc1)C1CC1 69417453 UWEYATNEDVDFPB-UHFFFAOYSA-N 204.273 2.095 0 40 BEAB Cc1cnn(CCNCCCc2ccccc2)c1 69966562 AEVXPFZZEFQYFF-UHFFFAOYSA-N 243.354 2.414 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@@H]([C@@H](C)N)C1 70172668 KIHACNQAIPBFKJ-CHWSQXEVSA-N 246.354 2.194 0 40 BEAB O=C(C1CCCCC1)N1CC[C@H](c2cc[nH]n2)C1 72187671 SQCTWCIRZBHRNQ-LBPRGKRZSA-N 247.342 2.306 0 40 BEAB CC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)C(C)C 72208943 ITYCDWJGFHHPIF-NXEZZACHSA-N 230.352 2.273 0 40 BEAB FC(F)(F)c1ccccc1-n1nnnc1Cl 72226021 LEZINZTWBBOLTG-UHFFFAOYSA-N 248.595 2.335 0 40 BEAB CC(C)n1c(C=O)ccc1Cn1ccnc1 78404634 GKKSKUDHGJCWLI-UHFFFAOYSA-N 217.272 2.126 0 40 BEAB O=C(CO)c1c(Cl)ccc(F)c1Cl 83040318 NZOSEIRSTMDZNE-UHFFFAOYSA-N 223.030 2.308 0 40 BEAB CCOC(=O)c1cnc(Cl)c(Cl)c1N 90470866 OSAXBQSKYSBZKI-UHFFFAOYSA-N 235.070 2.147 0 40 BEAB O=C(NCCc1ccoc1)NC1CCCCC1 90607450 VHSWUQSXVHRGRL-UHFFFAOYSA-N 236.315 2.454 0 40 BEAB CCC(CC)CN1CC[C@]12CCCNC2 96050987 SLNLOWMOGGDALQ-ZDUSSCGKSA-N 210.365 2.251 0 40 BEAB CCOC[C@@H](C)Nc1ccc([S@@](C)=O)cc1 97371333 UYUHMSZIWBOKLC-HWPZZCPQSA-N 241.356 2.261 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C=C[C@H]1C2 100484768 DKFRIIGHCBCQEW-LPEHRKFASA-N 209.289 2.476 0 40 BEAB in-vitro NC(=O)Nc1ccc(F)cc1C(F)(F)F 102799534 ZBRWCLXZZPLGHY-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CCc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)o1 136828705 CCDWWHCZIYLKSA-VXGBXAGGSA-N 237.343 2.435 0 40 BEAB COc1ccc2[nH]cnc2c1Br 144230084 JVAWQPUYDFNYKV-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB CCOC[C@@H](C)OC(=O)c1cccc2cn[nH]c12 190702807 GPSLSRJCOOZFDN-SECBINFHSA-N 248.282 2.145 0 40 BEAB CC[C@H](C)N[Si](C)(C)N[C@H](C)CC 196282027 AOOAEHIAZBYEDV-AOOOYVTPSA-N 202.418 2.464 0 40 BEAB O=C(O)[C@H]1C[C@H]1Cc1ccc2c(c1)CCC2 217823501 QGVMFRKGYXFFEP-OLZOCXBDSA-N 216.280 2.439 0 40 BEAB COc1ccc([C@@H](C)N[C@H]2CCC[C@@H]2N)cc1 218886958 GFXBIRRVJPEUAA-SWHYSGLUSA-N 234.343 2.226 0 40 BEAB Nc1cc(-c2cc(-c3ccc(F)cc3)on2)n[nH]1 225971652 FMXVXVXQVOLSTK-UHFFFAOYSA-N 244.229 2.453 0 40 BEAB CC(C)CN1CCC[C@@]2(CCC(=O)N2C)CC1 585100663 SDFNHKYUGAMJMQ-CQSZACIVSA-N 238.375 2.119 0 40 BEAB c1cc2c3c(c1)[C@H]1CCC[C]1CN3CCNC2 1560406097 QUICZZVVHJQDAN-ZDUSSCGKSA-N 227.331 2.452 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(OC(C)=O)cc1 60659 IRDDCELIOYOJJD-VIFPVBQESA-N 235.283 2.140 0 40 BEAB O=C(Nc1cnns1)Oc1ccccc1 1559502 ALLQHEFPIVLZCH-UHFFFAOYSA-N 221.241 2.149 0 40 BEAB CC(C)(C)c1cc(O)c(C(=O)O)cc1O 1640960 HXRNAHTXZNOPRD-UHFFFAOYSA-N 210.229 2.094 0 40 BEAB Nc1cccc(CC(=O)Nc2ccccc2)c1 1726955 JMESVDBFSZIEHX-UHFFFAOYSA-N 226.279 2.450 0 40 BEAB Cn1nnnc1SCc1ccc(Cl)cc1 2699389 PTFHDARIIRTOTP-UHFFFAOYSA-N 240.719 2.156 0 40 BEAB COC(=O)[C@@]1(C)CCN(Cc2ccccc2)C1 4203472 HLVDSYQLKFDBGO-AWEZNQCLSA-N 233.311 2.072 0 40 BEAB O=C(c1ccccc1)N1CC[C@H]2CC[C@H](O)[C@@H]1C2 4982813 JNCDGTXHWIJATK-XBFCOCLRSA-N 245.322 2.062 0 40 BEAB FC(F)(F)c1nc(S)cc(=S)[nH]1 6452784 IFUZIPNSKJEEMD-UHFFFAOYSA-N 212.221 2.447 0 40 BEAB Cc1cc2cc(NS(C)(=O)=O)c(C)cc2o1 11615804 ZKMAJCSTIQMPBS-UHFFFAOYSA-N 239.296 2.421 0 40 BEAB NC(=O)c1c(-c2ccccc2F)csc1N 12398438 REVARKJBOLGHRL-UHFFFAOYSA-N 236.271 2.235 0 40 BEAB N[C@@H](CC(=O)O)c1ccccc1OC(F)(F)F 19503381 OMUCIBHXELVTMP-ZETCQYMHSA-N 249.188 2.060 0 40 BEAB O=C(NCCc1cccnc1)c1ccccc1 23874742 RCTBDCAWSPWKAU-UHFFFAOYSA-N 226.279 2.054 0 40 BEAB c1ccc2oc(NC[C@@H]3CCCO3)nc2c1 29219450 JXRFFMXVPOOWRK-VIFPVBQESA-N 218.256 2.419 0 40 BEAB C[C@@H]1C[C@H](Sc2ccccc2)C(=O)O1 32736086 BFJMPYZVXRHURN-SCZZXKLOSA-N 208.282 2.483 0 40 BEAB COc1ncccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 32755229 ZJERAJQFPKEIEM-QWRGUYRKSA-N 248.326 2.208 0 40 BEAB Cc1ccc(C(=O)N(C)C2CCCC2)cn1 32901618 ALMHHKMGJZHKNM-UHFFFAOYSA-N 218.300 2.405 0 40 BEAB C[C@@H]1CN(c2nc3ccccc3o2)CCO1 32905446 AMBRVFDQBMYYMC-SECBINFHSA-N 218.256 2.053 0 40 BEAB Cc1ccc(NC(=O)N(CCO)C(C)C)cc1 36795632 CWSQYEYSEILEKG-UHFFFAOYSA-N 236.315 2.230 0 40 BEAB CC(=O)N1CCOc2ccc(Cl)cc21 37627096 MZGPQJDYCFPKOG-UHFFFAOYSA-N 211.648 2.085 0 40 BEAB CCN1CC[C@@H](CNCc2ccccc2OC)C1 37643768 ILJDMCMAPJBVRB-ZDUSSCGKSA-N 248.370 2.127 0 40 BEAB O=C(c1coc2ccccc2c1=O)C(F)F 38885125 BWSSEOMNEWDODK-UHFFFAOYSA-N 224.162 2.241 0 40 BEAB Cc1ccc(N[C@H]2CCCNC2)cc1C 43324196 SCYFXPDVQIGJTF-ZDUSSCGKSA-N 204.317 2.467 0 40 BEAB CC[C@H](C)NC(=O)CCc1ccccc1O 58156456 BNJBRDNALPVPKW-JTQLQIEISA-N 221.300 2.240 0 40 BEAB CC(C)Sc1ncccc1C(=O)N(C)C 58377545 NVTIALHDCUPYEV-UHFFFAOYSA-N 224.329 2.284 0 40 BEAB CC(C)Oc1ccccc1OC[C@@H]1CO1 59496754 GEKWRHKUUMZHKS-JTQLQIEISA-N 208.257 2.251 0 40 BEAB CC(C)c1ccc([C@H](CO)N2CCOCC2)cc1 70453262 IPBAMLMDIQDMAL-HNNXBMFYSA-N 249.354 2.176 0 40 BEAB OCCC[C@H]1CCCN1[C@H]1C=CCCC1 71904884 PRYVHGSYKFMAOV-QWHCGFSZSA-N 209.333 2.332 0 40 BEAB Cc1ccc(F)c(O[C@@H](C)C(=O)NC(C)C)c1 71916396 PFWZWQJCBOHRPI-JTQLQIEISA-N 239.290 2.426 0 40 BEAB Nc1nc2ncc(C(F)(F)F)cc2s1 72115236 QSALCPGVJCPHOJ-UHFFFAOYSA-N 219.191 2.292 0 40 BEAB in-vitro Cc1nccnc1C1CCN(C(=O)C(C)C)CC1 72361225 DEMPLLWPPDQBAP-UHFFFAOYSA-N 247.342 2.147 0 40 BEAB CCONC(=O)CCc1c[nH]c2ccc(C)cc12 72848972 BEJXFOPDSUHOAM-UHFFFAOYSA-N 246.310 2.477 0 40 BEAB Cc1nc2ccnc(Br)c2[nH]1 76935895 LISYIQSLBIHUOU-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB COc1c(C)cc(C2(O)CCN(C)CC2)cc1C 79030411 UXVPMFIDGADOSK-UHFFFAOYSA-N 249.354 2.225 0 40 BEAB O=C(N[C@@H]1CCSC1)c1cccc(F)c1 81053134 XUKVWHVDLBOHKR-SNVBAGLBSA-N 225.288 2.061 0 40 BEAB CN(C)C(=O)c1csc(C(C)(C)C)n1 96402852 LVYHTCLZVYUDMU-UHFFFAOYSA-N 212.318 2.142 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1F 96510180 NNYVFCXRNGPEAP-GXSJLCMTSA-N 228.288 2.116 0 40 BEAB C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1ccccc1F 97021114 VKJNRBMNTUBNED-RVIYUIFMSA-N 242.315 2.252 0 40 BEAB CCc1noc(-c2nc(-c3ccccc3)no2)n1 98212370 HVYZEVOZMKCPIX-UHFFFAOYSA-N 242.238 2.349 0 40 BEAB O=C1OCC(O)=C1c1cccc(Cl)c1 217080620 BXROHWAZZNIVNF-UHFFFAOYSA-N 210.616 2.166 0 40 BEAB COc1cccc(C(=O)N2C3CCC2CC3)c1 223977031 KWBBHHVLYXBZSB-UHFFFAOYSA-N 231.295 2.462 0 40 BEAB CCn1c(CC(C)C)ccc1C(=O)OC 226022702 RUKLJPJMGBBWRP-UHFFFAOYSA-N 209.289 2.493 0 40 BEAB CNc1ccccc1-c1n[nH]c(=S)n1C 228927382 FNDJBWFYESLRDZ-UHFFFAOYSA-N 220.301 2.186 0 40 BEAB Cc1cnc(C)c(N2C[C@@H]3CCC[C@H]3C2)n1 273826238 FAINGOIDUHVQMU-RYUDHWBXSA-N 217.316 2.330 0 40 BEAB c1ccc(CN2CCNCC23CCC3)cc1 306145478 GMZDFNQLRIRIFI-UHFFFAOYSA-N 216.328 2.015 0 40 BEAB Cc1oncc1CNC(=O)/C=C/c1cccs1 575608088 INSZTWGTXAFLRD-SNAWJCMRSA-N 248.307 2.374 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1CCCC(=O)CC1 953102124 JWMWCHUWKGLXRE-SECBINFHSA-N 212.289 2.478 0 40 BEAB Cc1cccc(NC(=O)c2cc(C)c(F)cn2)n1 1888868667 ZJDJDMADSNCVGK-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB Cn1c(-c2ccc(Cl)cc2)cnc1N 873780 BAOMGQNIXYVJKU-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB aggregator Cc1ccccc1-n1nnnc1SC(F)F 3331368 HCGQACKCKVNXQS-UHFFFAOYSA-N 242.254 2.285 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(O)cc1C(=O)O 11639042 LYNZIBWZMSKGQD-UHFFFAOYSA-N 237.255 2.075 0 40 BEAB Cc1cc(C(=O)O)sc1-c1cnn(C)c1 12397072 CLNKGFSOZUDJGG-UHFFFAOYSA-N 222.269 2.155 0 40 BEAB in-vitro CNC(=S)Nc1cccc2c1CCCC2 16238113 YABIKMCOFOMDLD-UHFFFAOYSA-N 220.341 2.482 0 40 BEAB Oc1nnc2c(n1)-c1cccc3cccc-2c13 16431690 NBTUUTXMLGFURK-UHFFFAOYSA-N 221.219 2.378 0 40 BEAB c1ccc2c(c1)CCN2C[C@@H]1CCCNC1 16941889 KRPNLJQNKZDPIN-GFCCVEGCSA-N 216.328 2.049 0 40 BEAB Cc1ccccc1[C@@H](C)NC(=O)c1cnccn1 17963493 DBJKTIJXTOSJDU-LLVKDONJSA-N 241.294 2.276 0 40 BEAB CN(C(=O)C(C)(C)C)c1ccc(O)cc1 20210504 PVSJOQDMFAIKNQ-UHFFFAOYSA-N 207.273 2.401 0 40 BEAB in-vitro OC1=Nc2n[nH]cc2[C@@H](c2cccc(O)c2)C1 20745111 ALGCCRDGAJBDGY-SECBINFHSA-N 229.239 2.239 0 40 BEAB CC(C)OC(=O)c1ccc2cn[nH]c2c1 25786113 XVBNXMVASCERMS-UHFFFAOYSA-N 204.229 2.128 0 40 BEAB Cc1nn(C)c2c(NC3CC3)nc(C(C)C)nc12 32651062 GMBFAJDODKVEDR-UHFFFAOYSA-N 245.330 2.369 0 40 BEAB O=C(O)CCc1nc2c(Cl)cccc2[nH]1 37443374 KNPFNMWDLYTACJ-UHFFFAOYSA-N 224.647 2.234 0 40 BEAB in-vitro O=C(NCC(F)(F)F)c1cccs1 38488693 OEKSZICJVPCAAY-UHFFFAOYSA-N 209.192 2.040 0 40 BEAB Cc1noc(C)c1CC(=O)N(C)Cc1ccco1 39969270 ZWVZCESPJQZUFL-UHFFFAOYSA-N 248.282 2.086 0 40 BEAB COC(=O)c1c[nH]nc1-c1ccc(F)cc1 40435048 NWTXJKXDLBSRDG-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB O=C(Nc1cccnc1)c1ccsc1 40462680 MYIQNZPAJUUXRB-UHFFFAOYSA-N 204.254 2.395 0 40 BEAB O[C@@H]1CCCN(c2ccnc3ccccc23)C1 41721657 DCJLAPBITYLMRV-LLVKDONJSA-N 228.295 2.196 0 40 BEAB Oc1nc(Cl)c2oc3ncccc3c2n1 44830632 SYUZMWVIBKXLNH-UHFFFAOYSA-N 221.603 2.130 0 40 BEAB Fc1ccccc1CNCCOc1ccccn1 45945479 KWQBMKCPNHDKMT-UHFFFAOYSA-N 246.285 2.389 0 40 BEAB COC(=O)c1noc(C)c1C(=O)c1ccccc1 47844212 SWXYJRINEROENV-UHFFFAOYSA-N 245.234 2.001 0 40 BEAB in-vitro N[C@H]1CCN(C(=O)c2csc3ccccc23)C1 50228175 UUUSLXXZFZGMCD-VIFPVBQESA-N 246.335 2.075 0 40 BEAB CC(=O)c1cc(F)cc(Br)c1O 52066181 OONDYRNMURZSPQ-UHFFFAOYSA-N 233.036 2.496 0 40 BEAB O=C(O)c1cnc2ccc(C(F)(F)F)cn12 52507962 MXEBZMQCMRVHSQ-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB CCCCc1noc([C@H]2CCCCN2)n1 57340788 UPRFINMMMJAVGA-SECBINFHSA-N 209.293 2.227 0 40 BEAB CC1=CC(=O)N([C@H](C)c2ccsc2)C1=O 61363991 UNVZTFXPQAANNM-MRVPVSSYSA-N 221.281 2.124 0 40 BEAB CC(C)[C@@H](C)CC(=O)Nc1ncccc1O 69369001 KDGRIDAMZGUNIO-VIFPVBQESA-N 222.288 2.408 0 40 BEAB CCOc1ccc([C@H]2CCCCN2C=O)cn1 72211812 GUCAMOVLLSCCOF-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB N[C@@H]1CC2(CCOCC2)Oc2ccccc21 74079742 OTXULXLQTUIVQV-LLVKDONJSA-N 219.284 2.018 0 40 BEAB COCCOC[C@H]1CCN([C@H]2C=CCCC2)C1 75949842 PLRZOMPXTVHEEP-KBPBESRZSA-N 239.359 2.080 0 40 BEAB CC(C)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 80767626 VXIXTKMGXJOXBJ-SNVBAGLBSA-N 239.290 2.365 0 40 BEAB CCOC(=O)c1cccc2ccncc12 85217624 FYQLLTRIYXXISS-UHFFFAOYSA-N 201.225 2.412 0 40 BEAB NCc1ccc(-c2ccc(F)cc2)nc1 89263246 JISNHEADXUWWRB-UHFFFAOYSA-N 202.232 2.346 0 40 BEAB O[C@@H](c1cccnc1Cl)C(F)(F)F 96528093 DSUDBVZEAJNLKH-YFKPBYRVSA-N 211.570 2.331 0 40 BEAB Cc1ccccc1OCCCn1cncn1 97335950 BWQAZTNVVVOCNN-UHFFFAOYSA-N 217.272 2.056 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](C)[C@H]1[C@@H]2C 100743031 XECHVXPHGHIOKX-KSSYENDESA-N 210.317 2.232 0 40 BEAB biogenic CC(=O)N1CCC[C@@H]1c1nc(C)cc(Cl)n1 205672692 YIVZMKJFPUCVEV-SECBINFHSA-N 239.706 2.122 0 40 BEAB c1cc([C@H]2CCN(Cc3ccsc3)C2)[nH]n1 205688206 MPLYQCLZURYFKK-NSHDSACASA-N 233.340 2.461 0 40 BEAB OC[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 218685415 XTQUSGZZEOAIKF-QPUJVOFHSA-N 224.687 2.373 0 40 BEAB CCNC(=S)Nc1cc(C)c(Cl)cn1 223867142 XJKNBTZISPRVRH-UHFFFAOYSA-N 229.736 2.350 0 40 BEAB CCC(=O)N(C)Cc1nc(-c2ccccc2)no1 225689528 SKVXWBDHFRISAG-UHFFFAOYSA-N 245.282 2.105 0 40 BEAB COP(=O)(OC)[C@@H](O)[C@H]1CC=CCC1 238360152 JWPDKPCAOFVQNW-DTWKUNHWSA-N 220.205 2.147 0 40 BEAB Cc1c(NCc2cnn(C(C)C)c2)cnn1C 256050306 DOHRTRWMAUVMAL-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB O=C(O)[C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21 536948753 QCHGODCFACBXAX-KXUCPTDWSA-N 208.644 2.310 0 40 BEAB O[C@H]1CC[C@@H]1Nc1ncnc2ccc(Cl)cc12 585298178 REEXJWBZDZDENV-QWRGUYRKSA-N 249.701 2.218 0 40 BEAB C[C@H](O)CCN1Cc2ccccc2C(F)(F)C1 649388298 PUDZSNDMYLBDHC-JTQLQIEISA-N 241.281 2.365 0 40 BEAB CN[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 675082838 WVRGSCNPWBJQCH-RTCCRHLQSA-N 240.347 2.136 0 40 BEAB O=c1c2cc[nH]c2nc(S)n1-c1ccccc1 1554503194 NNECEQUZMITYHH-UHFFFAOYSA-N 243.291 2.003 0 40 BEAB FC(F)(F)Oc1cccc2c[nH]nc12 1563591725 MGKMFEHAKWBEAE-UHFFFAOYSA-N 202.135 2.462 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1 29995 BAIZGXIYKGQGAN-NXEZZACHSA-N 207.273 2.398 0 40 BEAB CC1=NN(C(=S)c2ccc(C)cc2)[C@@](C)(O)C1 302557 HSTZISKVCXJRGP-ZDUSSCGKSA-N 248.351 2.461 0 40 BEAB O=C(NC1CCCC1)c1ccc2nccnc2c1 414748 UDPKNMZNXUNDKK-UHFFFAOYSA-N 241.294 2.302 0 40 BEAB CCC[C@@]1(c2ccccc2)SCC(=O)NC1=O 1760308 KQRGGBXNOZAVNS-ZDUSSCGKSA-N 249.335 2.072 0 40 BEAB O[C@@H](c1cccc2ncccc12)[C@@H]1CCCCN1 1873724 GLUILMXLFMYLMU-GJZGRUSLSA-N 242.322 2.410 0 40 BEAB CCC(=O)[C@H](CCN(C)C)c1ccccn1 2045659 ONGSHSURLCLNGD-LLVKDONJSA-N 220.316 2.096 0 40 BEAB CCCCNC(=O)c1cc2ccccc2oc1=O 2334714 FWKQAVIQWMMROS-UHFFFAOYSA-N 245.278 2.323 0 40 BEAB Cc1ccc(N2C(=O)[C@H](C(C)C)NC2=S)cc1 3261536 URLRESQYWGFJPO-NSHDSACASA-N 248.351 2.241 0 40 BEAB in-vitro C[C@@H]1C(=O)CCN(Cc2ccccc2)[C@H]1C 4342744 PUVALBABJRFOQO-RYUDHWBXSA-N 217.312 2.486 0 40 BEAB ClC1(Cl)OCCOC1(Cl)Cl 4722373 CMKFLUTWXVKTQN-UHFFFAOYSA-N 225.886 2.296 0 40 BEAB COCCn1c(C)c(C(=O)O)c2ccccc21 6677892 HGIPHZUZJIYOEU-UHFFFAOYSA-N 233.267 2.294 0 40 BEAB Cc1cccc(CC(=O)Nc2cc(C)on2)c1 8382889 RIQVITAEYBPERP-UHFFFAOYSA-N 230.267 2.473 0 40 BEAB COc1ccc(OC)c(-c2cc(C(=O)O)no2)c1 11801970 SHKJDWPURNWNTI-UHFFFAOYSA-N 249.222 2.057 0 40 BEAB CC(C)[C@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 11864818 GOUFZXZRYVCGNY-OUAUKWLOSA-N 213.321 2.074 0 40 BEAB CC[C@H](Cc1cccc(OC)c1)C(=O)O 11976779 FZDIEJDNANEDQM-SNVBAGLBSA-N 208.257 2.349 0 40 BEAB Cc1ccc(CNC(=S)n2cc(C)cn2)cc1 13330999 ATWVXAJVKMCEDK-UHFFFAOYSA-N 245.351 2.423 0 40 BEAB NC(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 13612061 KBHFOWFHBHUVEU-UHFFFAOYSA-N 237.262 2.329 0 40 BEAB CCc1ccccc1O[C@H]1CCCNC1 14631666 FIJYHGNJVWIUQH-LBPRGKRZSA-N 205.301 2.380 0 40 BEAB in-vitro COC[C@H](C)NCCCc1ccccc1 20041889 KZWPKUAVWWXYFP-LBPRGKRZSA-N 207.317 2.244 0 40 BEAB Cc1nnc(NC(=O)c2cc(Cl)c[nH]2)s1 23625893 VZOZEZMVLVVYAF-UHFFFAOYSA-N 242.691 2.080 0 40 BEAB Fc1cccc(COC[C@H]2CCCCN2)c1 28521892 ZTGDJFVNWWUSLN-CYBMUJFWSA-N 223.291 2.484 0 40 BEAB CCCC(=O)Nc1ccc(-n2cccn2)nc1 29852177 IZMXULLPEVGTAJ-UHFFFAOYSA-N 230.271 2.006 0 40 BEAB CC(=O)C[C@@H]1NCCc2c1[nH]c1ccccc21 31456432 GMCSAFFOGUXWON-ZDUSSCGKSA-N 228.295 2.334 0 40 BEAB O=C(NCC1CC1)c1cc(-c2ccccc2)[nH]n1 32909819 HJTHBOAIZNDCBR-UHFFFAOYSA-N 241.294 2.217 0 40 BEAB N[C@H]1CCCN(c2cccc(Cl)c2)C1 33426951 IZNMZGNBNHIULF-JTQLQIEISA-N 210.708 2.268 0 40 BEAB CN(Cc1cccc(F)c1)C1CCNCC1 36301431 SKBAIGOYWZKQCV-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB C1CC[C@@H]2CN(CC3CCNCC3)CC[C@@H]2C1 36810185 AKHRXOPFAVJESK-LSDHHAIUSA-N 236.403 2.498 0 40 BEAB COc1ccc(CCNCc2c[nH]nc2C)cc1 36901458 PLTXJXDYTVQBRK-UHFFFAOYSA-N 245.326 2.059 0 40 BEAB Cc1ccc(N2CCCCC2=O)c(N)c1 37064703 MIWDLLAZQOGORL-UHFFFAOYSA-N 204.273 2.094 0 40 BEAB O[C@H]1CCCC[C@H]1NCCc1ccccc1 37490598 JPAIYTGSQOJXTB-KGLIPLIRSA-N 219.328 2.122 0 40 BEAB N[C@H]1CCOc2c(Cl)cc(F)cc21 37901960 YXTFAAHHOXCWKE-QMMMGPOBSA-N 201.628 2.261 0 40 BEAB COCc1cccc(NC(=O)NC(C)C)c1 40527040 UESDROVKXVAVDX-UHFFFAOYSA-N 222.288 2.363 0 40 BEAB O=C1Nc2ccccc2[C@@H]1Cc1cccnc1 41244257 LXGQYEKBMIBUQS-LBPRGKRZSA-N 224.263 2.360 0 40 BEAB OC[C@@H](c1ccc(Cl)cc1)N1CCCC1 41246427 UMWGTFDOBBGBTJ-LBPRGKRZSA-N 225.719 2.469 0 40 BEAB Cc1cc(C)c2c(c1)S[C@H](C(=O)O)C2 62712021 AHSMOSGRCCUVBA-JTQLQIEISA-N 208.282 2.405 0 40 BEAB Cn1cc([C@@H](N)c2ccc(F)c(Cl)c2)cn1 62792198 QWAPKTKNAAUWQX-NSHDSACASA-N 239.681 2.261 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@H]1CCC[C@@]12CCNC2 71373390 HNBZGZYLHSUROS-GWCFXTLKSA-N 240.347 2.043 0 40 BEAB CCOCCC(=O)NC/C=C/c1ccccc1 71902896 HDVMZTIHBFNRLX-RMKNXTFCSA-N 233.311 2.243 0 40 BEAB CCN1CCC[C@H]1c1ccc(O)nc1C 72218192 NKDMKHUZKDTOHC-NSHDSACASA-N 206.289 2.252 0 40 BEAB C[C@@](O)(c1ccccc1N)C(F)(F)F 75846235 FKLQOZHJXLWQBQ-MRVPVSSYSA-N 205.179 2.039 0 40 BEAB Fc1cc(OC[C@@H]2CO2)ccc1Cl 75880973 UMWOUFHXYAAMSW-SSDOTTSWSA-N 202.612 2.257 0 40 BEAB CSCCCN1CCC[C@H]1c1noc(C)n1 76047169 FFOQFAGJABFGCT-JTQLQIEISA-N 241.360 2.268 0 40 BEAB Cc1ccc([C@H](C)N(C)CC(=O)O)c(C)c1 82717647 MUBKTXOKTGCCKA-NSHDSACASA-N 221.300 2.381 0 40 BEAB N[C@@H](CCCc1ccc(Cl)cc1)C(=O)O 84018149 JWFHIBQJYLHPGI-JTQLQIEISA-N 227.691 2.075 0 40 BEAB CC(=O)OCC[C@H](C)CC[C@H](F)C(C)(C)O 95470368 CUAABNZMYPAGAI-KOLCDFICSA-N 234.311 2.465 0 40 BEAB O[C@@H](CCC1OCCCO1)c1ccc(F)cc1 95728539 MMXJIQIREGZAQU-LBPRGKRZSA-N 240.274 2.402 0 40 BEAB COC(=O)CN(C)[C@H](C)c1ccc(F)c(F)c1 96742747 CMVFFHQNGPTDLD-MRVPVSSYSA-N 243.253 2.131 0 40 BEAB OC12C[C@H]3C[C@H](C1)CC(N1CCCC1)(C3)C2 100067788 WHGRUDSZQYFNAY-FEPKRQSRSA-N 221.344 2.166 0 40 BEAB Oc1c2c(nn1-c1ccc(F)cc1)CCC2 100072294 UAWXKXBRSAKGQV-UHFFFAOYSA-N 218.231 2.206 0 40 BEAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCCC1 101543016 GQHXTRDCXKZACJ-GFCCVEGCSA-N 237.274 2.136 0 40 BEAB CCCn1cc(CNc2cccc(CO)c2)cn1 191943946 QZTCBYSDZGUKPH-UHFFFAOYSA-N 245.326 2.398 0 40 BEAB CCc1cccc2c(NCCN)ccnc12 222677441 IMNMKBHIHHPLST-UHFFFAOYSA-N 215.300 2.168 0 40 BEAB Cc1cc(N[C@H](C(=O)O)C(C)C)c(C)cc1N 223780527 QKCFMCGIJYNWIO-LBPRGKRZSA-N 236.315 2.407 0 40 BEAB CCc1ncc(CNC(=O)[C@H]2CC=CCC2)o1 331317728 DIGPCCOOWOYHOK-JTQLQIEISA-N 234.299 2.210 0 40 BEAB CC(=O)N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21 527534925 XGTVBHPAISRHQJ-IJLUTSLNSA-N 221.687 2.114 0 40 BEAB Cc1[nH]c(C(=O)O)nc1Cc1ccccc1 1857793325 RTLQRXRMBSAJMO-UHFFFAOYSA-N 216.240 2.007 0 40 BEAB COC(=O)c1ccc(C=O)n1-c1ccc(F)cc1 165567 CTRINKVFHXPXRC-UHFFFAOYSA-N 247.225 2.216 0 40 BEAB O=C(Nc1cccnc1Cl)c1cccnc1 338497 IXZXVPIRYMBJIS-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CCOCCCNc1ncnc2ccccc12 1912264 KVQCCCWKSXHZAJ-UHFFFAOYSA-N 231.299 2.468 0 40 BEAB CCCCCC(=O)NC(=O)c1ccccc1O 3121639 QHJUZJHHDVCYHP-UHFFFAOYSA-N 235.283 2.229 0 40 BEAB NCc1ccccc1CN1CCCCC1 4218633 LVWBHCPEDVLOCV-UHFFFAOYSA-N 204.317 2.131 0 40 BEAB O=C(Cc1ccccc1F)Nc1ncccc1O 12539726 QIFHLLVMYQOEHO-UHFFFAOYSA-N 246.241 2.108 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1OC 12971307 CDEZZXYETAIBRE-WPRPVWTQSA-N 235.283 2.298 0 40 BEAB S=C(Nc1ccc(Cl)cc1)n1cncn1 16428584 GMQAJPWLMLFDGW-UHFFFAOYSA-N 238.703 2.177 0 40 BEAB CCCCCSc1nc(N)nc2[nH]cnc12 17299442 SQEYMSWFUJWJJH-UHFFFAOYSA-N 237.332 2.217 0 40 BEAB CC(C)CNC(=O)c1ccc(O)c(Cl)c1 19837228 VNSRWTJPYRWBBB-UHFFFAOYSA-N 227.691 2.431 0 40 BEAB CC(C)(C)NC(=O)Cc1cccc(F)c1 19934862 HBPMZEDGGNYSOI-UHFFFAOYSA-N 209.264 2.283 0 40 BEAB CN1CCCC[C@H]1COc1ccc(CN)cc1 20352304 ISLOBPONDVTOBC-ZDUSSCGKSA-N 234.343 2.008 0 40 BEAB COc1cc(OC)c(S)c(OC)c1 20431082 DZWLIENCQXGZFF-UHFFFAOYSA-N 200.259 2.001 0 40 BEAB CCC(=O)NCc1cc2ccccc2[nH]1 21993568 GDXWFXDMFOMGLV-UHFFFAOYSA-N 202.257 2.194 0 40 BEAB Cc1cccc(CNC(=O)c2cc(C)no2)c1 26021588 ZXDMTYDEQOCYEZ-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB CCCn1ccc(C(=O)Nc2nccs2)n1 27971546 BEAPDLQMCNYNDO-UHFFFAOYSA-N 236.300 2.002 0 40 BEAB CN[C@H](C(=O)O)c1cccc(Cl)c1Cl 37180887 XUSJFRAYQKFOSU-QMMMGPOBSA-N 234.082 2.339 0 40 BEAB N[C@H](c1cccc(F)c1)c1ccccn1 37466334 KQZYFGZSUCYGSD-GFCCVEGCSA-N 202.232 2.269 0 40 BEAB in-vitro CCCN1C(=O)C[C@H](c2ccc(C)cc2)NC1=O 39042790 OWMKBYZUSHPFPF-GFCCVEGCSA-N 246.310 2.388 0 40 BEAB CC(C)[C@@H](C)NC(=O)CC[C@@H]1CCCO1 40506170 ACKJFZLEIUITEQ-MNOVXSKESA-N 213.321 2.106 0 40 BEAB CC(=O)c1nc2ccc(Cl)cc2n1C 40834084 AHWIFAIMYTZUCC-UHFFFAOYSA-N 208.648 2.429 0 40 BEAB in-vitro COC(=O)CCC(=O)c1ccc(F)c(F)c1 43368556 VEBICORUQQTJDY-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB CC(C)C(=O)N1CCC[C@@H]1c1ccncc1 45143238 XVOMFFAGRRGLDO-GFCCVEGCSA-N 218.300 2.401 0 40 BEAB CCc1ncc(C(=O)O)c(Nc2ccccc2)n1 49469608 LNZPLPGAXSJMJD-UHFFFAOYSA-N 243.266 2.481 0 40 BEAB COCC(=O)Nc1cccc(-n2cccc2)c1 57305495 UQNQPGAWLDUKDO-UHFFFAOYSA-N 230.267 2.062 0 40 BEAB O=C(Nc1ncccc1OC(F)F)C1CCC1 57698268 YBTBRXHORKCFDT-UHFFFAOYSA-N 242.225 2.422 0 40 BEAB CCc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1 70459036 MKMGHRLXGIZQFW-UHFFFAOYSA-N 239.278 2.252 0 40 BEAB Fc1ccc(Br)c2c1CCNC2 70821218 VVZOZQVEJFKOPE-UHFFFAOYSA-N 230.080 2.234 0 40 BEAB CC(C)CN1CCC[C@H]1c1cccnc1N 72212422 HHMXSNMTRRKTPH-LBPRGKRZSA-N 219.332 2.457 0 40 BEAB COC(=O)[C@@]1(c2cccnc2)CCCCS1 72220170 CZIQQVHNFBOLRS-LBPRGKRZSA-N 237.324 2.367 0 40 BEAB CCOc1cccc(NC(=O)[C@@H]2C[C@H]2C)n1 76093329 JPUURTLIXAVHNS-RKDXNWHRSA-N 220.272 2.075 0 40 BEAB C[C@@H](N[C@H](C)C1CCN(C)CC1)C1CCC1 90856773 GMJARXCGKSKXFA-VXGBXAGGSA-N 224.392 2.495 0 40 BEAB COC(=O)[C@H]1CCN([C@H](C)c2ccccc2)C1 95933596 DYXZLKUYFDDIAN-YPMHNXCESA-N 233.311 2.243 0 40 BEAB CCN(Cc1cccs1)[C@H]1C[C@H](C)OC1=O 95978491 SODIJYHNZQMAKB-ONGXEEELSA-N 239.340 2.274 0 40 BEAB c1cc(OC[C@H]2NCCc3sccc32)ccn1 96526597 LVYYJCCSTILEBP-GFCCVEGCSA-N 246.335 2.409 0 40 BEAB Cc1ccccc1-c1[nH]ccc1S(C)(=O)=O 96532686 NPGNXYHCIBZGQR-UHFFFAOYSA-N 235.308 2.394 0 40 BEAB Cc1nccc(N[C@H]2CCCCC[C@@H]2CO)n1 97014137 YOYHOGQSPJEWKD-NEPJUHHUSA-N 235.331 2.138 0 40 BEAB C[C@@H](C[S@](C)=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 97379741 POBCSSLFHBCOJT-DXHVMGJMSA-N 231.405 2.168 0 40 BEAB c1ccc(CN2C[C@@H]3CCC[C@@H](C2)N3)cc1 100494575 FYSCXTRDKBSUBL-KBPBESRZSA-N 216.328 2.013 0 40 BEAB O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]21 145565811 PTJMSNXGHGOXPN-NEPJUHHUSA-N 217.268 2.417 0 40 BEAB CCOC(=O)C(F)(F)[C@@H](N)c1cccc(F)c1 199566672 QWAKYJACYYXICM-VIFPVBQESA-N 247.216 2.024 0 40 BEAB Cc1sc(C(=O)CN)nc1-c1ccccc1 219039374 YEENVQBUALWQJV-UHFFFAOYSA-N 232.308 2.260 0 40 BEAB N[C@H](CC(=O)O)c1ccc(-c2ccncc2)cc1 228952600 JMFLDVFWDYGUIQ-CYBMUJFWSA-N 242.278 2.223 0 40 BEAB Cc1ccc([C@H](C)O[C@@H]2CCNC2)c(C)n1 252488751 IXXRNOQIHCRCST-NWDGAFQWSA-N 220.316 2.138 0 40 BEAB CN[C@H]1CC[C@H](Cc2ccccn2)CC1 257252669 JVQOOIZBDITANP-HAQNSBGRSA-N 204.317 2.402 0 40 BEAB CCOCc1c(Br)cnn1CC 408715843 FOQYGACQGNUNBV-UHFFFAOYSA-N 233.109 2.202 0 40 BEAB Cc1ccc(OC2CCSCC2)nn1 585650504 AMBIJYYDYVEDKQ-UHFFFAOYSA-N 210.302 2.059 0 40 BEAB Oc1ccc(CC2CCC(O)CC2)cc1 1715391 NHMQOAPPJZFBAG-UHFFFAOYSA-N 206.285 2.486 0 40 BEAB Cc1ccc(-c2nnc(N)s2)c(C)c1 3716272 LUGKVXLLEIAWIU-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB in-vitro CCC(=O)c1cc2c(cc1NC(C)=O)OCCO2 4422566 JCLWZMBFCCRQSZ-UHFFFAOYSA-N 249.266 2.009 0 40 BEAB CC(=O)Nc1ccc(OCc2ccno2)cc1 6668157 GSKRXQYCJUHISG-UHFFFAOYSA-N 232.239 2.212 0 40 BEAB Cc1ccc2cc3c(N)nn(C)c3nc2c1 11727739 ZRXNUSMRUVLEPJ-UHFFFAOYSA-N 212.256 2.012 0 40 BEAB Cc1nnc(NC(=O)/C=C/c2ccccc2)s1 12341264 LZCBLIMPXSLXIG-BQYQJAHWSA-N 245.307 2.498 0 40 BEAB C[C@H]1CN2c3ccccc3C(C)(C)[C@@]2(C)NC1=O 12660572 AEHJWSHZRUZMLG-BONVTDFDSA-N 244.338 2.266 0 40 BEAB biogenic CCOc1cccc(CNCCCOC)c1 13718055 ZWVWIAJVWHMLOZ-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB C[C@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1 14490842 AEPMKZIOUKHDOO-WOPDTQHZSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro COc1ccc([C@H](O)c2ccco2)cc1 16945717 IWOQKQSKCFYQKW-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB CC(=O)CC(=O)N(C)Cc1cccc(Cl)c1 19409966 OESFWZNQDAJVBD-UHFFFAOYSA-N 239.702 2.278 0 40 BEAB in-vitro CC[C@@H](C)OC(=O)Cc1cccc(N)c1 20154986 HTIOJZAHZBGKFS-SECBINFHSA-N 207.273 2.153 0 40 BEAB Cc1ccc2c(c1)N1CCCN=C1N2C 32579641 QFKMKHBFJRUSQJ-UHFFFAOYSA-N 201.273 2.011 0 40 BEAB CCNc1nc(Cl)ncc1Br 39957226 LJHQFKOMQASUHX-UHFFFAOYSA-N 236.500 2.324 0 40 BEAB Cc1ncsc1C(=O)N[C@H](C)C(C)C 40530116 OLIVELTVKFTBRS-SSDOTTSWSA-N 212.318 2.226 0 40 BEAB CCCCCC[C@@H](O)CCC(=O)OC 43373007 RFFUMWZSHOBFBG-SNVBAGLBSA-N 202.294 2.271 0 40 BEAB CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 46417618 VQSFQGKJSJXENB-UWVGGRQHSA-N 237.299 2.091 0 40 BEAB OCCN(Cc1cccc(Cl)c1)C1CC1 48065322 UYVBNTBLNBUAFX-UHFFFAOYSA-N 225.719 2.297 0 40 BEAB NCCCCc1nc(-c2cccnc2)cs1 57218512 NLPPBWZRNFAVLK-UHFFFAOYSA-N 233.340 2.487 0 40 BEAB in-vitro CCOC(=O)c1ccnc(Br)c1C 71256036 VSSOMARINYNYFB-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB c1cnc2[nH]nc(C3CN(C4CCCC4)C3)c2c1 72356834 PETPHYBKHRPZCD-UHFFFAOYSA-N 242.326 2.300 0 40 BEAB CCC1(CNC(=O)c2scnc2C)CC1 75105419 CMLUGBDECPBQSO-UHFFFAOYSA-N 224.329 2.372 0 40 BEAB O=C(O)c1cnc(Cl)n1Cc1ccccc1 76683520 COJXJVLIQILNDJ-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB COC(=O)OC(C(F)(F)F)C(F)(F)F 79370471 XIRMSPZXBKNQNO-UHFFFAOYSA-N 226.072 2.263 0 40 BEAB CNC(=O)N(C1CC1)[C@H](C)c1ccco1 84661200 KHNCMXNPIVFBPK-MRVPVSSYSA-N 208.261 2.144 0 40 BEAB CCOc1ccc(C(=O)c2ncco2)cc1 85651155 ITTBPAVMPMOSSO-UHFFFAOYSA-N 217.224 2.304 0 40 BEAB CC(=O)Nc1ccccc1NC1CCN(C)CC1 89265629 QWGVGEOWZHZUIQ-UHFFFAOYSA-N 247.342 2.151 0 40 BEAB C[C@@H](OC(=O)[C@@H]1CCCCN1C)c1cccnc1 95962714 HUKXNULISVPKPZ-YPMHNXCESA-N 248.326 2.170 0 40 BEAB CC(C)c1nnc(CS[C@H](C)CCO)o1 96430208 HSUBCPGOMPEJDD-MRVPVSSYSA-N 230.333 2.197 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 96510175 RFHCBHCTZIVIBS-MNOVXSKESA-N 228.288 2.116 0 40 BEAB Cc1ccccc1C1=N[C@@H]2C=NN=C2S1 100012109 NPFYVVGHJFHKOG-SECBINFHSA-N 215.281 2.255 0 40 BEAB C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 102253561 ABFVODLSARTRLV-CYDGBPFRSA-N 219.328 2.457 0 40 BEAB CC[C@@](C)(C(=O)O)c1cccc(OC)c1 107205572 ZMTNFOPFDAFRDY-GFCCVEGCSA-N 208.257 2.448 0 40 BEAB CC(C)(Br)[C@H](NN)c1ccccc1 199539434 AVGIYNSLQQHCLI-SECBINFHSA-N 243.148 2.365 0 40 BEAB CCNc1nc(Cl)nc(C(F)F)c1N 217639814 MGSCRGXEXRKBFO-UHFFFAOYSA-N 222.626 2.082 0 40 BEAB COC(=O)c1nn(C(C)C)c(C=O)c1C(C)C 242495151 FWTGIYZLXAFZMV-UHFFFAOYSA-N 238.287 2.187 0 40 BEAB Nc1ccc2c(c1)OC1(CCC1)CC2=O 306145430 FFSHZNPWNSDOFR-UHFFFAOYSA-N 203.241 2.157 0 40 BEAB CC(=O)Oc1cccc(C(=O)C(F)F)c1 308793544 FOZWODPGNMJATK-UHFFFAOYSA-N 214.167 2.060 0 40 BEAB Nc1csnc1C(=O)Nc1ccc(F)cc1 1425505 YZYZRMQLBYHINE-UHFFFAOYSA-N 237.259 2.117 0 40 BEAB Cc1ccccc1NC(=O)[C@H]1CCCO1 1456892 SNZMZAJJWCIAGD-LLVKDONJSA-N 205.257 2.113 0 40 BEAB Nc1cc(N)cc(C(=O)c2ccccc2)c1 1556148 HUCYRCXEUARBKY-UHFFFAOYSA-N 212.252 2.082 0 40 BEAB CC[C@](C)(O)[C@@H](C(=O)O)C1CCCCC1 1733964 MUOCGNVVTYEQPL-PWSUYJOCSA-N 214.305 2.429 0 40 BEAB OCCCCCCOc1ccc(O)cc1 2179665 UVYBETTVKBAZFI-UHFFFAOYSA-N 210.273 2.324 0 40 BEAB FC(F)n1nnn(-c2ccccc2)c1=S 4333103 NRTRYGXDBXFXGY-UHFFFAOYSA-N 228.227 2.193 0 40 BEAB CC1(C)Oc2nc[nH]c(=O)c2[C@H]1c1ccccc1 8642365 SWDMUCYEVINBAC-LLVKDONJSA-N 242.278 2.073 0 40 BEAB CCC[C@@H](Oc1ccc(F)cc1)C(=O)O 8730633 TYCQOSQFVMDUNT-SNVBAGLBSA-N 212.220 2.458 0 40 BEAB NC(=O)c1cccc(NC(=O)CC2CCCC2)c1 10030917 UCOQKTNKYDPWCM-UHFFFAOYSA-N 246.310 2.304 0 40 BEAB Cc1nc2ccccc2nc1N1CCO[C@@H](C)C1 12911246 GNCUOFOJWHWNND-JTQLQIEISA-N 243.310 2.163 0 40 BEAB COC(=O)N[C@@H](C)c1cc(OC)ccc1OC 13328829 UKVNCGPIGZWDEP-QMMMGPOBSA-N 239.271 2.121 0 40 BEAB CCC(=O)O[C@H]1CCC[C@@H](OC(=O)CC)C1 17315332 GKFARIMGPCTUAY-AOOOYVTPSA-N 228.288 2.204 0 40 BEAB CCCN(C[C@@H](C)O)C(=O)Nc1ccccc1 19691498 OKPBSJZLZYIFMM-LLVKDONJSA-N 236.315 2.311 0 40 BEAB C[C@@H](N)c1cc(F)ccc1-n1cccn1 19872811 MPBWZLSWKVZFCU-MRVPVSSYSA-N 205.236 2.031 0 40 BEAB in-vitro CCc1ccc(-c2nn3cnnc3s2)cc1 20154188 VTNOCLPKXULVIH-UHFFFAOYSA-N 230.296 2.415 0 40 BEAB CC[C@@H](C)n1cc(Cl)c(C(=O)O)n1 20313794 QXXQAXVEVDNYLN-RXMQYKEDSA-N 202.641 2.206 0 40 BEAB CCc1n[nH]c(N)c1Cc1ccccc1 26511334 PGCDSUPLZKUCFI-UHFFFAOYSA-N 201.273 2.145 0 40 BEAB CC(=O)Nc1ccc(-n2ccc(C)n2)cc1 28219748 HBYIQMQTYDBABY-UHFFFAOYSA-N 215.256 2.139 0 40 BEAB CCn1cc(CNC(=O)c2cccc(C)c2)cn1 28226254 WFCJZDCCPIFFCD-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB Nc1nc(-c2c[nH]c3ncccc23)cs1 32625284 KICXBMZWAWIRER-UHFFFAOYSA-N 216.269 2.269 0 40 BEAB CCOC(=O)/C=C\c1ccc(Cl)nc1 34481710 FHRIBCCVJCCJCZ-XQRVVYSFSA-N 211.648 2.311 0 40 BEAB CC(C)(C)OC(=O)N[C@H](CN)C1CCCCC1 34781620 VNULYAAMWXJKNO-LLVKDONJSA-N 242.363 2.419 0 40 BEAB Cc1nc2ccccc2n1[C@H](C)CC(=O)O 35741154 OKIXBZKGCOTSCO-MRVPVSSYSA-N 218.256 2.380 0 40 BEAB CCN(Cc1ccccc1Cl)C(=O)[C@H](C)N 37808784 SUFJDIZOCSCBHQ-VIFPVBQESA-N 240.734 2.036 0 40 BEAB Cc1[nH]c2c(F)cc(F)cc2c(=O)c1C 37947601 RWJXJDJMTRDPQY-UHFFFAOYSA-N 209.195 2.423 0 40 BEAB Oc1cccc(CNCC[C@H]2CCCO2)c1 37988677 QGGWUNXRGPPVSD-CYBMUJFWSA-N 221.300 2.051 0 40 BEAB COC(=O)C(=O)c1ccc(CC(C)C)cc1 38272048 PZRJQOFGHYZGLG-UHFFFAOYSA-N 220.268 2.241 0 40 BEAB CC(C)N(Cc1ccccc1)C[C@H](C)N 38901297 HZJWXSRXDXATFA-LBPRGKRZSA-N 206.333 2.244 0 40 BEAB Cc1cccc2c1cnn2CCC(=O)NC1CC1 40758213 FTRMYUGKQMJXHZ-UHFFFAOYSA-N 243.310 2.013 0 40 BEAB Clc1cccc(OC[C@H]2CCCN2)c1 43496860 BCJVYIXLRDWAFR-SNVBAGLBSA-N 211.692 2.471 0 40 BEAB Oc1nc(-c2ccccn2)nc2ccsc12 48603547 DWCBCVJWTVCTHM-UHFFFAOYSA-N 229.264 2.459 0 40 BEAB CC(C)=CC(=O)N1CCCC[C@@H]1CCC(=O)O 50921002 LMVXWRHVBXDDCA-LLVKDONJSA-N 239.315 2.199 0 40 BEAB CC(C)(C)OC(=O)Nc1ccc(N)c(N)c1 60289856 XPZXNVNKACXWFX-UHFFFAOYSA-N 223.276 2.198 0 40 BEAB CCO[C@@H](CNC)c1ccc(OC)cc1OC 62711554 JFZXLCWIVCZRQV-ZDUSSCGKSA-N 239.315 2.001 0 40 BEAB C[C@H]1CC[C@H](C)N1c1ncnc2[nH]ccc12 66251008 OBTMEDIKWQTUGY-IUCAKERBSA-N 216.288 2.335 0 40 BEAB CC[C@@H](N)[C@@H]1CCCN1C(=O)OC(C)(C)C 72208642 VXVKOWIGVDIUNF-ZJUUUORDSA-N 228.336 2.123 0 40 BEAB C[C@H](N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208701 UHURVYQOXPFTNJ-UWVGGRQHSA-N 228.336 2.123 0 40 BEAB CN(C)[C@H](CCC(=O)O)c1ccccc1 74181516 PSNMTLWWWOSUDP-LLVKDONJSA-N 207.273 2.154 0 40 BEAB CCN(c1ccc(C)cc1)[C@@H](C)C(=O)O 82259502 GMGYTVKSYMBORV-JTQLQIEISA-N 207.273 2.294 0 40 BEAB OCCN[C@@H]1CCCSc2ccccc21 89857777 UYIRROMSBXEQBR-LLVKDONJSA-N 223.341 2.196 0 40 BEAB CCCCCC(=O)OCc1nnc(C)s1 95459522 RCZNNJDMDFSKIN-UHFFFAOYSA-N 228.317 2.470 0 40 BEAB CCOC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 95532058 QOUMMNCZEOSEKL-SECBINFHSA-N 248.282 2.238 0 40 BEAB CC(C)(C)OC(=O)Nc1ccnc(C=O)c1 95761788 XLFQEAUCYICLJM-UHFFFAOYSA-N 222.244 2.241 0 40 BEAB CC(C)C(=O)OCCCc1cccnc1 97044180 WUILVJAATLZUPO-UHFFFAOYSA-N 207.273 2.213 0 40 BEAB CCOC[C@H](C(=O)OCC)C(C)(C)C 114652003 DSZILDZTMGVOMV-SECBINFHSA-N 202.294 2.248 0 40 BEAB Nc1cnccc1C(=O)c1cc(F)ccc1F 199711310 FUQCBCOGSKUHLX-UHFFFAOYSA-N 234.205 2.173 0 40 BEAB COc1cc2c(cc1Br)CCNC2 214392419 LONXJWSXOYAVIN-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB COC(=O)[C@@H]1Nc2c(F)cccc2C1(C)C 218697194 KNHUMJGCWSNBPY-JTQLQIEISA-N 223.247 2.070 0 40 BEAB COCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223494802 IUZABXDTMBTWND-LBPRGKRZSA-N 235.327 2.435 0 40 BEAB CCCO[C@@H](Cc1ccc(F)cc1)C(=O)O 225055220 HGCBPZRBYHUMCU-NSHDSACASA-N 226.247 2.248 0 40 BEAB CCCN(Cc1ccccc1O)[C@H](C)C(=O)O 236733436 BAKGPMFMMJCWHN-SNVBAGLBSA-N 237.299 2.077 0 40 BEAB Cc1cn(C)nc1NCc1ccccc1 256055201 ZRDPJARKERKMND-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB CN(Cc1ccco1)[C@@H]1CCC12CCNCC2 306131247 JZERYCJVLDCAJG-CYBMUJFWSA-N 234.343 2.244 0 40 BEAB Cc1cnnc(N2C[C@@H]3CCCC[C@@H]32)c1 894440971 PKKTZUJHIBMYAB-QWRGUYRKSA-N 203.289 2.164 0 40 BEAB N[C](c1ccccc1)[C@H](N)c1ccccc1 1560408636 DQARJSNIHJRGIK-CYBMUJFWSA-N 211.288 2.225 0 40 BEAB Cc1ccc(-c2ncn(C)n2)c(Cl)c1 2362801518 KCOUEBHQHMLZQP-UHFFFAOYSA-N 207.664 2.444 0 40 BEAB O=C(NCCc1ccccc1)c1cccnc1 29169 IWAOAHRHJXBSFV-UHFFFAOYSA-N 226.279 2.054 0 40 BEAB CCOC(=O)C1[C@H]2Cc3ccccc3C[C@@H]12 401822 LCQQWAGZZKIFIY-FUNVUKJBSA-N 216.280 2.211 0 40 BEAB CCS(=O)(=O)Nc1cccc(C)c1C 482784 FVALCBJDWZQDEP-UHFFFAOYSA-N 213.302 2.065 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@@](O)(CC(=O)O)C2 1323057 HBWSRVTVYLQCPC-UWJYBYFXSA-N 212.289 2.038 0 40 BEAB CCOC(=O)[C@@H]1CSC(c2ccccc2)=N1 1608424 NLJHTKVOMRSESM-JTQLQIEISA-N 235.308 2.112 0 40 BEAB CCC[C@]1(C)NCCO[C@@]1(O)c1ccccc1 1622226 OUPZQTOWDCRSCT-KBPBESRZSA-N 235.327 2.010 0 40 BEAB Cc1ccc2nn(-c3ccc(O)cc3)nc2c1 1691996 VWCBBUPTSNUBRT-UHFFFAOYSA-N 225.251 2.435 0 40 BEAB CCCCN(CCCC)C(=O)[C@@H](C)OC(C)=O 2042824 FCKCOYRIFOWGCE-LLVKDONJSA-N 243.347 2.367 0 40 BEAB COc1cccc(OC)c1C(=O)NCC(C)C 2057640 YDZXWAKTWKJVMA-UHFFFAOYSA-N 237.299 2.090 0 40 BEAB Cc1cccc(CN2CCCC[C@@H]2C(=O)O)c1 3755317 RMXUHTDULIZIDH-CYBMUJFWSA-N 233.311 2.434 0 40 BEAB in-vitro CCCCNC1=NN(c2ccccc2)C(=O)C1 4545592 NKMOOJXLJGAKCO-UHFFFAOYSA-N 231.299 2.127 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1 4666529 SIJBEDJNWKDAJV-ZYHUDNBSSA-N 218.300 2.390 0 40 BEAB CC1(C)CCO[C@H]([C@@H]2OCCC(C)(C)O2)O1 5052091 RLVOGDZXMVYOOL-AOOOYVTPSA-N 230.304 2.070 0 40 BEAB Nc1ccc([C@H](C(=O)O)c2ccccc2)cc1 5593615 QBRNBNXTYYYOBH-CYBMUJFWSA-N 227.263 2.485 0 40 BEAB CNC(=O)c1ccc(N2CCCCC2)cc1 7504696 RIDRUTYOUIPUKI-UHFFFAOYSA-N 218.300 2.037 0 40 BEAB Cc1cncc(Oc2cccc(CO)c2)n1 12370720 DWEAUGVLWACZHO-UHFFFAOYSA-N 216.240 2.070 0 40 BEAB in-vitro CCOC(=O)[C@H]1CC2(CCCC2)N2CCC[C@@H]12 14987551 SQVGKJHPVVUQEZ-RYUDHWBXSA-N 237.343 2.347 0 40 BEAB C/C=C\C(=O)OCC[C@@H](C)OC(=O)/C=C/C 17377369 ZTVGGPBXWHCVLE-HMYHNPRYSA-N 226.272 2.004 0 40 BEAB Nc1nnc(-c2cc3ccccc3o2)o1 19481800 MCQZCCPTTFOHBP-UHFFFAOYSA-N 201.185 2.065 0 40 BEAB in-vitro CCOC(=O)[C@]12CC=CCN[C@H]1CCCC2 19530251 UYJXSESXJSHLID-WCQYABFASA-N 223.316 2.028 0 40 BEAB O=C(c1ccn(C2CCCC2)n1)N1CCCC1 32648461 QFLUHKLHMGBFTB-UHFFFAOYSA-N 233.315 2.234 0 40 BEAB O=C1CC[C@H]2NCCc3c2n1c1ccccc31 33902944 JWKLUJICNLQLKG-LLVKDONJSA-N 226.279 2.262 0 40 BEAB c1ccc(OCCOCCC2CCNCC2)cc1 34972551 VGKQEUGOEQLPAH-UHFFFAOYSA-N 249.354 2.472 0 40 BEAB C[C@@H](N)[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362453 ATVUCOFCESBIAI-JFUSQASVSA-N 203.285 2.072 0 40 BEAB CCOC(=O)CCNCCCc1ccccc1 37486125 QYWYQRHYEHCZIG-UHFFFAOYSA-N 235.327 2.162 0 40 BEAB CCn1c(C)cc(=O)c2cc(OC)ccc21 40164103 SRXWXUMEKPYUBW-UHFFFAOYSA-N 217.268 2.338 0 40 BEAB CC(=O)Oc1cccc(C(=O)c2ccco2)c1 43210683 KKDXNMPGYHPJOQ-UHFFFAOYSA-N 230.219 2.436 0 40 BEAB OCCc1cc(F)ccc1C(F)(F)F 44380175 VRXPZMVFHSULLO-UHFFFAOYSA-N 208.154 2.379 0 40 BEAB Cc1cc(CN(C)CCc2ccncc2)no1 65588571 FZTBABBVFQAYOR-UHFFFAOYSA-N 231.299 2.053 0 40 BEAB NCc1cccc(F)c1Br 66348116 ZTILVEXWKKYWNQ-UHFFFAOYSA-N 204.042 2.047 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@@H]1CCN(C2CCC2)C1 67801154 QDMQAWYPPIACQF-SNVBAGLBSA-N 240.347 2.138 0 40 BEAB FC(F)(F)c1cccnc1-n1ccnc1 70163652 PPIVCGSZVYUMJH-UHFFFAOYSA-N 213.162 2.286 0 40 BEAB OC[C@H](c1ccc(F)cc1F)N1CCCCC1 70452788 XCRQQFRBCOGCSJ-CYBMUJFWSA-N 241.281 2.484 0 40 BEAB CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1 71908045 YKLZPNIUYQIPBG-STQMWFEESA-N 239.359 2.450 0 40 BEAB CC(C)Oc1ncccc1[C@@H]1CCCN1C=O 72211946 ZRRJAYJZGRUHCX-LBPRGKRZSA-N 234.299 2.162 0 40 BEAB CNCc1cnc(N2CCCCCC2)c(C)c1 72222497 VQHRZRUVVIOPRE-UHFFFAOYSA-N 233.359 2.490 0 40 BEAB Cn1cc(C(=O)Nc2ccc(Cl)cc2)cn1 74716975 MRJGMFAKGQQKGC-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB COc1ccc(C2(CN)CCC2)cc1F 75068998 KQUWMNYJFDJALS-UHFFFAOYSA-N 209.264 2.215 0 40 BEAB Cc1nc(Cl)cc(NC[C@]2(C)CCOC2)n1 79089902 SZPCDOTVSUEDCR-NSHDSACASA-N 241.722 2.277 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCOC1 82337166 LNAGLHNDIUPFLM-AAEUAGOBSA-N 245.322 2.391 0 40 BEAB Cc1ccc(Br)c2c1NC(=O)C2 84193880 TULGNCBFDGDWAV-UHFFFAOYSA-N 226.073 2.252 0 40 BEAB Nc1nc(N2CCCCC2)nc2ccccc12 86001054 MDGLKMXWHKGENE-UHFFFAOYSA-N 228.299 2.202 0 40 BEAB CCc1nsc(N2C[C@H]3CCC[C@H]3C2)n1 89295502 LNPGXBACHGIEHL-DTORHVGOSA-N 223.345 2.337 0 40 BEAB C[C@H](OC1CCCCCC1)C(=O)N(C)C 89368705 IHGYZWNBYGCSIP-JTQLQIEISA-N 213.321 2.203 0 40 BEAB O=c1c2ccoc2ccn1CCCCCCO 95447077 UNUHDRJZMZVERP-UHFFFAOYSA-N 235.283 2.147 0 40 BEAB C[C@H](NC(=O)c1ccco1)c1cncc(F)c1 95465096 JFSZYXOSIJRQIT-QMMMGPOBSA-N 234.230 2.305 0 40 BEAB Nc1cc(Cl)cc(Br)n1 95635190 WRDSYRBQXXLWBG-UHFFFAOYSA-N 207.458 2.080 0 40 BEAB in-vitro C[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96070659 WODREFHSOGYAAV-KWCYVHTRSA-N 232.327 2.081 0 40 BEAB O=c1c([C@H]2NCCS2)coc2ccccc12 96170756 WJBVIUUFVGVIRN-LBPRGKRZSA-N 233.292 2.128 0 40 BEAB CC(C)(C)c1ccc(NC=O)cc1NC=O 96316035 KFDALFXHGVDPGY-UHFFFAOYSA-N 220.272 2.121 0 40 BEAB COc1ccc(CCn2ccc(C)cc2=O)cc1 96489272 JSHNXVUSKZWHFR-UHFFFAOYSA-N 243.306 2.408 0 40 BEAB c1ccc2c(c1)CCCN2Cc1csnn1 97057311 VCKJPFYBHHXTIC-UHFFFAOYSA-N 231.324 2.491 0 40 BEAB O=C(O)c1cc(F)c(N2CCCC2)c(F)c1F 98210486 UQDOTYVIDXPSQC-UHFFFAOYSA-N 245.200 2.402 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@H]2[C@H](C)N)c1 108019216 SCBRMCDRXPTYCI-HJIKLVIJSA-N 221.300 2.155 0 40 BEAB O=C(O)c1cc2cc(C(F)(F)F)ccn2n1 146538695 MQOFNRWEIYQKPP-UHFFFAOYSA-N 230.145 2.051 0 40 BEAB CC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 204584175 ROYJUNIRZXQXCQ-QMMMGPOBSA-N 227.304 2.078 0 40 BEAB N[C@H]1C[C@]12CCOc1ccc(Cl)cc12 218686214 LVIJXJAIZQYJOP-QWRGUYRKSA-N 209.676 2.091 0 40 BEAB COc1cccc(N[C@H]2CCCC[C@@H]2N)c1 218858218 INOKVFDNRAAAPG-STQMWFEESA-N 220.316 2.377 0 40 BEAB Cc1ccc(N[C@H]2CCC[C@H]2N)c(F)c1 218884685 BWUPPTTVUKAZBA-PWSUYJOCSA-N 208.280 2.426 0 40 BEAB COC(=O)NC[C@H](OC)c1ccc(Cl)s1 225699680 SZWKHCMKJIRYEW-LURJTMIESA-N 249.719 2.445 0 40 BEAB N[C@H]1CCCc2nc(C(F)(F)F)ccc21 238590606 VZPXCLWPQWQQOV-ZETCQYMHSA-N 216.206 2.437 0 40 BEAB C/C=C/C(=O)N1CCC(Oc2ccncc2)CC1 245108383 SUPVXWQYSLCMBG-UHFFFAOYSA-N 246.310 2.028 0 40 BEAB CCCn1cc(NCc2cn(C)nc2C)c(C)n1 256050097 CQMUDJUROBENSY-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB O=C(O)C(=C/C=C/C=C/c1ccccc1)C(=O)O 1594144 BDMPHXNMJHDACV-VDESZNBCSA-N 244.246 2.352 0 40 BEAB C[C@H]1CCO[C@@]2(CC(C)(C)OC2(C)C)O1 1677950 PJFSVWVGDLAMIZ-CABZTGNLSA-N 214.305 2.486 0 40 BEAB COC(=O)[C@H]1CC(C)(C)[C@@H]1CCC(C)=O 1718198 NVBQKDWBPLOTBN-VHSXEESVSA-N 212.289 2.191 0 40 BEAB COc1ccc(CNC(=O)c2ccncc2)cc1 3090561 CFTNFDSEYGKMCU-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB O=CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 3843460 QBRCLMGOKXKHER-LSDHHAIUSA-N 241.290 2.207 0 40 BEAB biogenic O=C(Nc1nc(=S)ss1)C(F)(F)F 4084441 YJIBQJUQIHQUTO-UHFFFAOYSA-N 246.260 2.435 0 40 BEAB O=C(O)c1cccnc1SC(F)F 4206002 LUIBZYAYEDRJQB-UHFFFAOYSA-N 205.185 2.095 0 40 BEAB in-vitro Cc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 18102369 LNLJNCDXNGMWOT-UHFFFAOYSA-N 200.241 2.054 0 40 BEAB CCOc1ccc(CNCCN2CCCC2)cc1 19823498 DAJYCBWDMVKAEZ-UHFFFAOYSA-N 248.370 2.271 0 40 BEAB CNC(=O)C1CCN([C@@H](C)c2ccccc2)CC1 24838265 JXCSDZKFBVIUGN-LBPRGKRZSA-N 246.354 2.206 0 40 BEAB COCc1ccc(CNC(=O)C=C(C)C)cc1 33190038 KRFNXHDQXJHWOF-UHFFFAOYSA-N 233.311 2.415 0 40 BEAB CC(C)(C)c1ccc([C@@H]2CNCCN2)cc1 41232064 ZJKUJEHMACJCJM-ZDUSSCGKSA-N 218.344 2.218 0 40 BEAB O=C(Cc1ccc(F)cc1)NCC(F)(F)F 42236863 ICKXLSCCBLTJNG-UHFFFAOYSA-N 235.180 2.047 0 40 BEAB CCCc1nc(CN2CCC[C@H](O)C2)cs1 42651833 WHGNSCDPKMAVIX-NSHDSACASA-N 240.372 2.052 0 40 BEAB COc1cc2cc[nH]c2nc1Br 44185102 CFZHYMZHSXJEHV-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro Nc1cc(-c2ccc(Cl)cc2)ncn1 44262454 HTWQXUINJKVXIO-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB in-vitro COC(=O)[C@@H](C)SCc1ccccc1 47874040 IBJSJDJXJTUZBY-SECBINFHSA-N 210.298 2.481 0 40 BEAB O=C(c1ccc(F)c(F)c1)N1CCSCC1 49213117 MFRVMBCTOFOXDX-UHFFFAOYSA-N 243.278 2.154 0 40 BEAB CCc1nnc(CN(C)C2CCCC2)o1 54118247 LWZAYTJXVWINND-UHFFFAOYSA-N 209.293 2.006 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccc(=O)n(CCC)c1 58230028 KQEUQNZWNUBRRL-TWTPFVCWSA-N 246.310 2.329 0 40 BEAB CCCCCCSc1nc(OC)cc(=O)[nH]1 59417361 IXMFWKNBZASUDT-UHFFFAOYSA-N 242.344 2.451 0 40 BEAB Cc1cnc(Nc2cccc(C(=O)O)c2)nc1 63048197 VSXIGVBPKRAQTF-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB CC[C@@H](OC)[C@@H](NCc1ccccc1)C(C)=O 64219549 LQQHPKCCORAZML-KGLIPLIRSA-N 235.327 2.159 0 40 BEAB CCOc1cccc2c1O[C@H](C)C(=O)N(CC)C2 64542506 OBCWWCWCUCWMSU-SNVBAGLBSA-N 249.310 2.215 0 40 BEAB Cc1cc(OCC(=O)O)c2c(F)ccc(C)c2n1 64874849 KPOQJIXASRTCTA-UHFFFAOYSA-N 249.241 2.454 0 40 BEAB CC(C)NC(=O)NCCCc1cccc(F)c1 69038684 BOOHHDKUJNAJPA-UHFFFAOYSA-N 238.306 2.466 0 40 BEAB CC[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208941 SANULBZYDGLPCY-ZJUUUORDSA-N 231.336 2.307 0 40 BEAB Cc1cccc([C@H]2CCCCN2C=O)n1 72211110 IOGBFFNWSYHRGM-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CC(C)NC(=O)N[C@H](CCN(C)C)C(C)(C)C 72286640 PUVIVEUZLAGTJD-LLVKDONJSA-N 243.395 2.060 0 40 BEAB Cc1cc2nccc(-c3ccccc3O)n2n1 72406254 RDXOKGKLOXGUKA-UHFFFAOYSA-N 225.251 2.410 0 40 BEAB Cc1ccc(OCc2nnc(C(C)C)o2)nc1 75077163 IGCJTIJPAVDHJB-UHFFFAOYSA-N 233.271 2.475 0 40 BEAB Cc1ccsc1[C@H](O)CNC(=O)C1CCC1 75155192 TYGWNJTYSATFNT-SNVBAGLBSA-N 239.340 2.006 0 40 BEAB CCC[C@@H](O)CNC(=O)Nc1ccc(C)s1 75416768 TWKAQDQECIRTHS-SECBINFHSA-N 242.344 2.339 0 40 BEAB COc1ccc(OC(F)F)cc1C=O 80927263 PDGQEIVPQXQOOT-UHFFFAOYSA-N 202.156 2.109 0 40 BEAB Cc1ccoc1C(=O)O[C@H](C)Cn1cccn1 83792781 DYKFDJYIWAYABN-SNVBAGLBSA-N 234.255 2.030 0 40 BEAB Nc1c(Cl)ccnc1Br 88611579 BZXFKYRDEFEWPG-UHFFFAOYSA-N 207.458 2.080 0 40 BEAB in-vitro CC[C@@H](N)COCc1c(F)cccc1F 89262678 HIKLYJACZCGZAZ-MRVPVSSYSA-N 215.243 2.219 0 40 BEAB CC(=O)N(CC(F)(F)F)C1CCCC1 89930351 UOVJQLIQVFNKKX-UHFFFAOYSA-N 209.211 2.340 0 40 BEAB C[C@H](Cc1ccc(O)cc1)N(C)c1ncccn1 96485317 XVBGMPRBASDJSC-LLVKDONJSA-N 243.310 2.250 0 40 BEAB O=C1[C@H]2[C@H]3[C@@H]4[C@H]5C[C@H]3[C@@H]1[C@@H]5C(Cl)(Cl)[C@@H]24 102942825 LOPCDUAQBZDNKR-VCKFUVQDSA-N 229.106 2.117 0 40 BEAB C[C@@H]1CNc2nn(C3CCCC3)c(O)c2C1 110751811 XZFDSPDLWIANBZ-QMMMGPOBSA-N 221.304 2.308 0 40 BEAB O=C(Nc1cnccn1)c1cccc2c1CCC2 125766238 VAZPGTHBOHHRCW-UHFFFAOYSA-N 239.278 2.218 0 40 BEAB O=C(O)Nc1cccc(Cl)c1C(=O)O 149740132 VTYJRRMIBOQGQM-UHFFFAOYSA-N 215.592 2.128 0 40 BEAB Cc1ccc([S@@](=O)Cc2ccccn2)nc1 191183605 LGPFGTHRVRFHEM-INIZCTEOSA-N 232.308 2.093 0 40 BEAB NNCc1c(Cl)cccc1Br 199539594 UEKJFYSFXMBLOO-UHFFFAOYSA-N 235.512 2.066 0 40 BEAB Fc1ccc(CN2CCN[C@@H]3CCC[C@@H]32)cc1 225715957 LBRLCNDADHUNML-KGLIPLIRSA-N 234.318 2.152 0 40 BEAB COc1ccc(CNc2cn(C)nc2OC)cc1 256054670 XGUTYOQNIJXGQM-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB CN(CC(F)F)C(=O)[C@H]1Cc2ccccc21 334490788 VMYISIDIBHRUCG-JTQLQIEISA-N 225.238 2.050 0 40 BEAB CC(C)c1nsc(NCc2ncccn2)n1 702325967 ZLNPUMXGAJTDNU-UHFFFAOYSA-N 235.316 2.064 0 40 BEAB CC(C)n1cc(N)c(NC(=O)OC(C)(C)C)n1 1548918960 XHDACMLAPMRZGS-UHFFFAOYSA-N 240.307 2.393 0 40 BEAB Cc1cc(N)n2ncc(-c3ccccc3)c2n1 208668 FNZGESRXTJTTTN-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB Cc1ccc2c(c1)C(=O)C(Cl)(Cl)C(=O)N2 974420 SVUWIZAAHDUMPX-UHFFFAOYSA-N 244.077 2.304 0 40 BEAB Cc1cccc(C(=O)NC(=S)NC(C)C)c1 2136253 ZOZLUIOFHNJDGN-UHFFFAOYSA-N 236.340 2.008 0 40 BEAB O=C(O)Cc1c(F)cc(Cl)c(F)c1F 2243336 OGPKNNUSIDOHPK-UHFFFAOYSA-N 224.565 2.384 0 40 BEAB CC[C@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 4163088 OGSJDLMQXSIQKS-VIFPVBQESA-N 244.294 2.265 0 40 BEAB CCC(CC)[C@H](O)[C@@H]1CCCC[C@@H]1O 4582836 PKYNNTVDTHYWOQ-WOPDTQHZSA-N 200.322 2.335 0 40 BEAB Cc1ccccc1OCCSc1ncn[nH]1 7603411 YJYJRWIIFYSMQZ-UHFFFAOYSA-N 235.312 2.284 0 40 BEAB CC[C@@H](C)NC(=O)c1cccnc1SC 8267801 GATYYXWOAKWESC-MRVPVSSYSA-N 224.329 2.332 0 40 BEAB Cc1cccc(Cc2c(O)n[nH]c2C)c1 8730063 BSLPVDBXJCRSOS-UHFFFAOYSA-N 202.257 2.323 0 40 BEAB COc1cccc(OCC(C)(C)C(=O)O)c1 8730685 LRKBHJKOJATIHS-UHFFFAOYSA-N 224.256 2.185 0 40 BEAB COc1ccc([C@H](C(=O)O)C2CC2)cc1OC 19726485 UGTICACXPHUAND-GFCCVEGCSA-N 236.267 2.282 0 40 BEAB Cc1ccc(F)c2c(O)c(C(=O)O)cnc12 35731180 PWMVAHBNGWGLNC-UHFFFAOYSA-N 221.187 2.086 0 40 BEAB Cc1n[nH]c(C)c1CNC[C@@H]1CC=CCC1 44583467 OTODIEDATIXHED-GFCCVEGCSA-N 219.332 2.472 0 40 BEAB O=C(O)c1cc(Cl)c(Cl)cc1O 45957393 LMLXXZZOQAUVBB-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB Cc1ccc(CNC(=O)C[C@H]2C=CCC2)cn1 47557172 HTAGXMLXFOLLRR-LBPRGKRZSA-N 230.311 2.363 0 40 BEAB Clc1cc(Oc2cccnc2)ncn1 48631046 GPCVOFRIVIVFJT-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)O)c1 49258553 LFCZHHLXSJFIIM-QLJPJBMISA-N 240.324 2.025 0 40 BEAB Cc1cc(C)nc(SC2CCC(N)CC2)n1 55143866 QNZDGEDXFLCJFN-UHFFFAOYSA-N 237.372 2.455 0 40 BEAB CNC(=O)N(Cc1ccsc1)C1CC1 65456305 FCATWIUSCVCOEY-UHFFFAOYSA-N 210.302 2.052 0 40 BEAB CCSc1nnnn1CCc1cccs1 65551642 HFALSIBKIDQDGQ-UHFFFAOYSA-N 240.357 2.089 0 40 BEAB CC[C@H](c1ccccc1)N(C)C[C@H](O)COC 71899853 IPGPSCIHLCSLRO-UONOGXRCSA-N 237.343 2.077 0 40 BEAB CCOC(=O)c1cn[nH]c1Cc1ccc(F)cc1 71980860 NMAYSQDZPCGGFN-UHFFFAOYSA-N 248.257 2.316 0 40 BEAB COc1cccc2c(/C=C/C(=O)O)ccnc12 72206438 LHXXWDOWDQEGEA-AATRIKPKSA-N 229.235 2.341 0 40 BEAB CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208933 RMDGQPFDHSRKFU-VIFPVBQESA-N 215.293 2.125 0 40 BEAB c1cc(-c2ccsc2)n2nccc2n1 72451567 BHTIMGHTIIUQKM-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB Cc1c(C(=O)O)ccn1-c1ccccc1 75420511 ZEPJBJJWMZRTFB-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB Cc1nc(SCC(=O)NC(C)C)sc1C 78876882 MNGUFAXENWQWJE-UHFFFAOYSA-N 244.385 2.377 0 40 BEAB COc1ccc(COC(=O)c2ccoc2C)cn1 78949363 HYKXGQDOBSXIKV-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB Cc1c(Br)cccc1CC(=O)O 84506919 BENXZZOWZYNPLT-UHFFFAOYSA-N 229.073 2.385 0 40 BEAB in-vitro O=C(O)c1nc2cccc(Br)c2o1 85221250 HLHBIBCQALAVTP-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB COc1ccc2c(c1)[C@@](O)(C(F)(F)F)CC2 86244750 NSWPLACUKUJTAN-SNVBAGLBSA-N 232.201 2.391 0 40 BEAB CC(C)C(=O)NC[C@]1(C)CCCS1 87620751 MAWZPKAMUQMPMK-JTQLQIEISA-N 201.335 2.044 0 40 BEAB Cc1ccoc1C(=O)NC[C@@H]1CCCS1 89701960 PYXMXKKDUKCJDB-VIFPVBQESA-N 225.313 2.213 0 40 BEAB O=C(NCCc1ccoc1)[C@@H]1CC=CCC1 90607409 GUHNZHFNMVGKAZ-GFCCVEGCSA-N 219.284 2.295 0 40 BEAB O=C(O)c1cc(F)cc(OC(F)(F)F)c1 91252015 RPEBABGCYLHTAK-UHFFFAOYSA-N 224.109 2.423 0 40 BEAB in-vitro CCO[C@@H]1C[C@@H](NC(C)=O)C12CCCCC2 95402004 CXLNJOZSTFFEFK-VXGBXAGGSA-N 225.332 2.250 0 40 BEAB COC(=O)c1ccc([C@H]2CCCN2)cc1F 95917913 DGTTXRDABOFWCR-LLVKDONJSA-N 223.247 2.037 0 40 BEAB CC(C)(C)CC(=O)NC[C@]1(C)CCCC[C@H]1O 96450827 MNWSFYMSUJVIJD-RISCZKNCSA-N 241.375 2.480 0 40 BEAB Clc1ncnc2sc(NC3CC3)nc12 96511272 LACPYMCQLUZOJW-UHFFFAOYSA-N 226.692 2.314 0 40 BEAB O=C(O)c1cnc(C2CC2)nc1-c1ccccn1 96517109 LZTJMQIJVMKCBX-UHFFFAOYSA-N 241.250 2.114 0 40 BEAB CO[C@@H](C)C(=O)Nc1cc(F)ccc1C(C)=O 97107036 TZYUVWMUFCRUEK-QMMMGPOBSA-N 239.246 2.002 0 40 BEAB CN1CC[C@H](SC2=Nc3ccccc3C2)C1=O 97212599 ZIEQGAXNTTYICD-NSHDSACASA-N 246.335 2.237 0 40 BEAB C[C@H]1C[C@@H](NCCc2ccnn2C)CC[C@H]1C 97380127 YRFQWWUPZJCZGW-AGIUHOORSA-N 235.375 2.377 0 40 BEAB COC(=O)c1sc(Br)cc1F 98179828 POFCRCFNPJCOES-UHFFFAOYSA-N 239.065 2.436 0 40 BEAB S=c1[nH]cnc2cc3n[nH]cc3cc12 101177120 KWVLQVSVSKLSJX-UHFFFAOYSA-N 202.242 2.169 0 40 BEAB CCOC(=O)[C@H]1CC2(CCC(F)(F)CC2)CN1 107269711 AQVNNRMWSMEXIL-SECBINFHSA-N 247.285 2.107 0 40 BEAB CCC(=O)NCCOc1ccccc1Cl 164248314 CPRJGXABDDCXHQ-UHFFFAOYSA-N 227.691 2.245 0 40 BEAB Cc1cccc(OCCO[C@H]2CCCCO2)n1 194720560 PCYFGDKXLAXBFJ-ZDUSSCGKSA-N 237.299 2.312 0 40 BEAB C[C@]1(CCC(=O)O)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 216342436 KXIHOSNFVBVESP-QCZKYFFMSA-N 212.289 2.038 0 40 BEAB Cc1cn(C)nc1NCc1cccc(F)c1 256049461 AATCYSHMBVFIRZ-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1nn(C)cc1CNc1cn(C(C)C)nc1C 256053683 SKBDZINPOJGVPR-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CCCCOc1nn(C)cc1Br 256055060 YYPMAAUSKCRGFF-UHFFFAOYSA-N 233.109 2.362 0 40 BEAB CNC1(CNc2nc3ccccc3o2)CCC1 521395115 LEOCKDCPNZRKDP-UHFFFAOYSA-N 231.299 2.382 0 40 BEAB O=C(c1ccccn1)N1[C@H]2CC[C@H]1CC(F)C2 1775994944 UWWVAJCKBQRNAA-QWRGUYRKSA-N 234.274 2.187 0 40 BEAB CCc1ncncc1NC(=O)OC(C)(C)C 1776011318 JTPNBKYXTRREGV-UHFFFAOYSA-N 223.276 2.386 0 40 BEAB CC(C)(C)N1C(=O)c2ccccc2C1=O 235329 AMEZJARRAUZZHY-UHFFFAOYSA-N 203.241 2.081 0 40 BEAB O=C1c2ccccc2[C@H](O)N1c1ccccc1 1704467 ZLODOCHSFJATAJ-ZDUSSCGKSA-N 225.247 2.338 0 40 BEAB CCOC(=O)CCC(=O)c1cc(F)cc(F)c1 2378924 ZPUSZIPFWRQAMA-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB O=C1NC(=O)[C@H](Nc2ccccc2Cl)S1 2486867 SOKRPKNTYSPBLQ-MRVPVSSYSA-N 242.687 2.061 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 5576697 ANBDXPWKDSKYHR-LDYMZIIASA-N 233.267 2.068 0 40 BEAB Brc1ccccc1OC[C@H]1CO1 5771674 CFPYDAOUKFUDEY-SSDOTTSWSA-N 229.073 2.227 0 40 BEAB CCNC(=O)c1cc(Cl)c(OC)c(OC)c1 6655034 MVKHGUMAHVHNRC-UHFFFAOYSA-N 243.690 2.107 0 40 BEAB CCOC(=O)Nc1noc2ccccc12 6810189 JOUBRVWFGMUVGI-UHFFFAOYSA-N 206.201 2.396 0 40 BEAB Fc1ccc(CNc2ncnc3[nH]ncc23)cc1 11856456 VDFBGNQXVUBREP-UHFFFAOYSA-N 243.245 2.104 0 40 BEAB Nc1ncc(NNc2cccc(F)c2)s1 13222033 MJODZJXLBYZHKC-UHFFFAOYSA-N 224.264 2.303 0 40 BEAB CC(C)C(=O)Nc1nnc(-c2cccnc2)s1 17209468 CVPIFOHQALLYIP-UHFFFAOYSA-N 248.311 2.195 0 40 BEAB Brc1ccc2c(c1)[C@@H]1O[C@@H]1C2 19796227 UAGHGQOZRFSNLO-BDAKNGLRSA-N 211.058 2.445 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)C(C)C)n1C 25316884 GOMDTIXKXZNBJM-SNVBAGLBSA-N 208.305 2.108 0 40 BEAB O=C(NC1=NCCCCC1)c1ccccc1 25338062 CVLVHVYKGMOCDB-UHFFFAOYSA-N 216.284 2.389 0 40 BEAB COc1cc(/C=C\C(=O)OC(C)C)ccc1O 31983808 KBTWMQRNUHIETA-ALCCZGGFSA-N 236.267 2.366 0 40 BEAB Cc1occc1C(=O)N(C)[C@@H](C)C1CC1 32907069 SCAGVBLZXXBJOT-QMMMGPOBSA-N 207.273 2.459 0 40 BEAB Cc1cc(C)c(CSc2nncn2N)c(C)c1 33793703 JZXIOFGZDOCDPY-UHFFFAOYSA-N 248.355 2.209 0 40 BEAB N[C@H]1CCOc2c(F)cc(Br)cc21 34975022 LRPQGUQEFLAKSY-QMMMGPOBSA-N 246.079 2.371 0 40 BEAB C[C@H](CN)c1ccc(OC(F)F)cc1 37246290 YGOUGGYHHXFORW-SSDOTTSWSA-N 201.216 2.350 0 40 BEAB O=C(O)[C@@](O)(c1ccccc1)c1cccs1 37632285 BIHFCPRVAAVAPP-GFCCVEGCSA-N 234.276 2.069 0 40 BEAB in-vitro COc1ccc(OC)c(/C=C/CC(=O)O)c1 39119596 LWOKRIASKVODMR-ONEGZZNKSA-N 222.240 2.192 0 40 BEAB NC(=S)C1(NC(=O)c2ccccc2)CCCC1 41066707 PGWLZBRWEMQHQE-UHFFFAOYSA-N 248.351 2.015 0 40 BEAB in-vitro CNCCCc1ccc(OC(F)F)cc1 62720283 XLEAKTXKWGFTHY-UHFFFAOYSA-N 215.243 2.440 0 40 BEAB O=C(O)c1ccc(F)c(COCC2CC2)c1 62761995 TZOUSMITFYIHON-UHFFFAOYSA-N 224.231 2.451 0 40 BEAB in-vitro Nc1cc(-c2cc(F)c(F)c(F)c2)no1 63007630 AKBINIPEILPTPP-UHFFFAOYSA-N 214.146 2.341 0 40 BEAB CC[C@H](C(=O)O)C1CCC(OC)CC1 68563630 AWVIHLOGDRPTFM-RTBKNWGFSA-N 200.278 2.302 0 40 BEAB CN(C)[C@@H](CO)c1ccc(C(F)(F)F)cc1 70453068 NXQGKXXONBHCTQ-JTQLQIEISA-N 233.233 2.300 0 40 BEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccco2)C1(C)C 71915436 QYDBPKWSDRVGTN-GHMZBOCLSA-N 237.299 2.213 0 40 BEAB OCCc1ccc(Nc2ccccc2)nc1 72225315 GTEWSALBBJHCGE-UHFFFAOYSA-N 214.268 2.360 0 40 BEAB C[C@@H](N)c1ccc(OCC(F)(F)F)cn1 72233133 GWMLEFYJEKOQMC-ZCFIWIBFSA-N 220.194 2.042 0 40 BEAB CC(C)CC(=O)N1CCC[C@H]1c1cc[nH]n1 72361278 DYZWRACMBHTKJN-NSHDSACASA-N 221.304 2.119 0 40 BEAB Cc1cccc(-c2cnc(C(=O)O)cn2)c1 74139774 LPRAJUUGZSLHFC-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB COc1ccc2c(c1Br)CCNC2 82790869 GAEIUEFZUZSDOV-UHFFFAOYSA-N 242.116 2.103 0 40 BEAB CC(C)c1ccc(CN[C@@H](C)CC(N)=O)cc1 84625120 NGDILOQMYJSJGD-NSHDSACASA-N 234.343 2.164 0 40 BEAB CON[C@@H]1CCCOc2ccc(C)cc21 85345048 NEEUKHXOTPYHAJ-LLVKDONJSA-N 207.273 2.360 0 40 BEAB Brc1ncccc1N1CCCC1 95081074 YSKABBMJIKLVNG-UHFFFAOYSA-N 227.105 2.444 0 40 BEAB NC(=O)c1ccc(CNC2CCCCCC2)o1 95406407 SKIGPLXKPLHNJH-UHFFFAOYSA-N 236.315 2.191 0 40 BEAB C[C@H]1CCCN(C(=O)Nc2ccncc2F)C1 95940253 YNEVHMIBVWURHY-VIFPVBQESA-N 237.278 2.485 0 40 BEAB O=C(O)[C@H]1CCN1c1ccc(Cl)cc1 118088457 CIMUKURIXPLKPJ-SECBINFHSA-N 211.648 2.003 0 40 BEAB CCC(=O)NCCSCc1ccco1 166175368 ZQWQEXYAHRRTIN-UHFFFAOYSA-N 213.302 2.039 0 40 BEAB CC1CCC(CN(C)C(=O)C(C)(C)CN)CC1 195543596 VXEIWPMACRDTMV-UHFFFAOYSA-N 240.391 2.256 0 40 BEAB COC(=O)c1cc2c(c(OC(C)C)c1)CCO2 218821044 LKRAKCQOJWXNFX-UHFFFAOYSA-N 236.267 2.195 0 40 BEAB CO[C@@H]1CNCC[C@@H]1Cc1ccccc1C 221690199 CBYKZKNTXNNPID-ZIAGYGMSSA-N 219.328 2.162 0 40 BEAB COc1ccc(-c2noc(C3CC3)n2)cc1N 225176188 UDAQHUIYTJBJBC-UHFFFAOYSA-N 231.255 2.205 0 40 BEAB CCc1ccc(CC)c(CNC(C)=O)c1 225725506 AVIDBRTVUKMGLK-UHFFFAOYSA-N 205.301 2.448 0 40 BEAB O=C(O)[C@H]1C[C@@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 225760599 DGBXKFVUWZAVCW-NGJRWZKOSA-N 238.205 2.065 0 40 BEAB CCn1c(CNCCOC)ccc1CC(C)C 226020351 SYRDTOBIFDRLEY-UHFFFAOYSA-N 238.375 2.443 0 40 BEAB C[C@H](O)c1cccc(-c2ccc(CO)o2)c1 226270192 PCJOWNLKURBEJZ-VIFPVBQESA-N 218.252 2.492 0 40 BEAB CCN(c1cc(C)ccc1OC)[C@H](C)C(=O)O 260679679 VPWKQZQLBONJHX-SNVBAGLBSA-N 237.299 2.303 0 40 BEAB CCc1nsc(N2CCC[C@H]3C[C@@H]32)n1 521394193 WHUBWSQVFXDBJD-YUMQZZPRSA-N 209.318 2.089 0 40 BEAB O=C(c1ccc(F)cc1)N1Cc2cccnc2C1 559253827 HXYKSUAFBPQVKF-UHFFFAOYSA-N 242.253 2.377 0 40 BEAB O=[S@@]1C=Nc2ccc(Br)cc21 606423694 RYOASZFHGWRYKF-LLVKDONJSA-N 230.086 2.230 0 40 BEAB COc1cc(C(=O)O)cc(C)c1/C=C/[C@H](C)O 1534679510 WXRCGZDELRTFHW-MOVJSRMASA-N 236.267 2.096 0 40 BEAB CCN(CC)[P@]1(=O)OC(C)(C)C[C@]1(C)O 231788 REQUQJQPNHWTGW-MEBBXXQBSA-N 235.264 2.429 0 40 BEAB COc1cnc(-c2ccccn2)nc1NC(C)C 1381758 VGIYTWUCLMICKF-UHFFFAOYSA-N 244.298 2.368 0 40 BEAB NNc1ccc(Cc2cccc(Cl)c2)nn1 1396411 VZDHHHJGKDKMQG-UHFFFAOYSA-N 234.690 2.006 0 40 BEAB Cc1c(C)n(C)c(=S)n(C)c1=S 1582597 IVFNWMWNCLILPI-UHFFFAOYSA-N 200.332 2.439 0 40 BEAB C[C@H]1OCCS[C@@H]1C(=O)Nc1ccccc1 2169031 HTCPXRKFYZHPSL-KOLCDFICSA-N 237.324 2.146 0 40 BEAB CCCCNC(=S)Nc1ccc(C)cn1 5225333 VXFXOZOKRIUKEJ-UHFFFAOYSA-N 223.345 2.477 0 40 BEAB O=C(O)CC[C@@H]1CCc2cccc(O)c2C1=O 5812985 DSGYEDWJTLMBRN-VIFPVBQESA-N 234.251 2.002 0 40 BEAB Cc1ccc(NCC(=O)NC2CC2)c(Cl)c1 10223240 KVURMXQYRNOHLM-UHFFFAOYSA-N 238.718 2.339 0 40 BEAB CCCCNCc1cc(OC)c(O)c(OC)c1 13651563 JCTCMVJBWUPTGE-UHFFFAOYSA-N 239.315 2.299 0 40 BEAB COC(=O)[C@H](N)c1ccc(Cl)cc1Cl 20146317 QAOMIBWFHLOTTI-MRVPVSSYSA-N 234.082 2.166 0 40 BEAB in-vitro Cc1noc(C)c1CNCCc1ccccn1 20252989 SQRSLKGSYBSHIW-UHFFFAOYSA-N 231.299 2.019 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCC(C)CC1 22538673 CMYLLXIHNUZJTE-NSHDSACASA-N 213.321 2.060 0 40 BEAB COc1cccc(Cl)c1-c1cnc(N)cn1 32587214 JUICAYNROKDARW-UHFFFAOYSA-N 235.674 2.388 0 40 BEAB O=C(O)c1c(-c2ccccc2)nc2ncccn12 34346458 OHDZDYDRTBDVCR-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB COc1ccccc1-c1nc(C(=O)O)c(C)[nH]1 35320811 YMWIBTGLBHNUCD-UHFFFAOYSA-N 232.239 2.092 0 40 BEAB NCC(F)(F)c1cccc2cccnc12 35570147 ZBCHYOUHRRLWEV-UHFFFAOYSA-N 208.211 2.285 0 40 BEAB C[C@H](c1ccccc1)N(C)C(=O)c1cn[nH]c1 37504105 XNPNEZBYBJRHLQ-SNVBAGLBSA-N 229.283 2.243 0 40 BEAB COC(=O)C[C@H](C)NCCCc1ccccc1 37719578 PNEJKAQZERIXJR-LBPRGKRZSA-N 235.327 2.160 0 40 BEAB Cc1noc(C)c1CC(=O)N1CCCCCC1 39969213 GHEQTPXUVSHMMY-UHFFFAOYSA-N 236.315 2.237 0 40 BEAB Cc1nc(/C=C/C(=O)Nc2ccccn2)cs1 40043315 RXKKBEXFNGEDMW-AATRIKPKSA-N 245.307 2.498 0 40 BEAB CCOC(=O)c1nn(-c2ccccc2C)nc1C 45946692 GKIBEEMDGXWREQ-UHFFFAOYSA-N 245.282 2.061 0 40 BEAB NC(=S)c1ccc(OC2CCC2)cc1 50520520 DQWWWXFYQWWANF-UHFFFAOYSA-N 207.298 2.252 0 40 BEAB in-vitro CNC(=N)Nc1ccc(OC(F)(F)F)cc1 52069491 PCQVYUHEZVIMKS-UHFFFAOYSA-N 233.193 2.151 0 40 BEAB CN1C(=O)CNc2cc(Cl)c(Cl)cc21 57933600 HJAHWUCQCIIYHR-UHFFFAOYSA-N 231.082 2.382 0 40 BEAB CC(C)N1Cc2cc(Cl)ccc2OCC1=O 65184354 QEVGZWASNRZYQW-UHFFFAOYSA-N 239.702 2.469 0 40 BEAB N=C(N)NCc1ccc(Oc2ccccc2)cc1 66245484 IMCAXVURDNJQFD-UHFFFAOYSA-N 241.294 2.462 0 40 BEAB C[C@@H]1CCCN(C(=O)C2CCOCC2)CC1 68778962 LNDXKIGYNMGVHH-LLVKDONJSA-N 225.332 2.062 0 40 BEAB Cc1ccsc1C(=O)NCCCCC(=O)O 70191350 CZHNPXRLJYUKIX-UHFFFAOYSA-N 241.312 2.041 0 40 BEAB COc1cccc(OC)c1C1=NCCC1 72221403 ZZBDZROPPUSLGM-UHFFFAOYSA-N 205.257 2.287 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2N)C1 82327526 GQBQSJMZBRDDAB-MFKMUULPSA-N 240.347 2.125 0 40 BEAB Cn1nccc1C(=O)N1CCC2(CCCCC2)C1 84303652 YXWMJZZHRXHWED-UHFFFAOYSA-N 247.342 2.217 0 40 BEAB Cc1nc(Cn2ccnc2C)sc1C 87397323 UXTMIDCBBVSLGS-UHFFFAOYSA-N 207.302 2.313 0 40 BEAB Fc1n[nH]c2ccc(Br)cc12 89195893 YGAXEFQRZVEQAZ-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB in-vitro Cc1nsc(N2CCS[C@H](C)[C@@H]2C)n1 89721399 FHJNIVHTYXBYPP-NKWVEPMBSA-N 229.374 2.177 0 40 BEAB CC(C)OCCS[C@H](C)C(=O)NC(C)(C)C 89887888 GIXXGLYGEDQSLZ-SNVBAGLBSA-N 247.404 2.448 0 40 BEAB O=C(OCc1ccccc1)N1CC(F)(F)C1 91368702 ZBRSJJGVLLSNLG-UHFFFAOYSA-N 227.210 2.274 0 40 BEAB CN(C)c1ccc(CO)c(C(F)(F)F)c1 95093804 LAWPLAHCDQIPMZ-UHFFFAOYSA-N 219.206 2.264 0 40 BEAB CC[C@@H](COC)NC[C@@H](O)c1ccccc1C 95422343 ZATPCXWCWOUCTR-GXTWGEPZSA-N 237.343 2.043 0 40 BEAB COC(=O)C[C@@H](CC(C)C)c1c(O)n[nH]c1C 95475648 FOBHZEUNYANFCD-SECBINFHSA-N 240.303 2.117 0 40 BEAB N[C@@H](c1ccc(Cl)nc1)C(F)(F)F 95641746 GPBZCFDSOKVWFP-LURJTMIESA-N 210.586 2.297 0 40 BEAB COCc1cnc2n1CCN(C1CCCC1)[C@@H]2C 96109596 GFHLIUZXOCVJSK-LLVKDONJSA-N 249.358 2.349 0 40 BEAB O=C1Oc2ccccc2[C@@]2(O)[C@@H]1[C@@H]1CCCC[C@H]12 103108393 RQWNVDAJWFMNDY-HMYIPDOQSA-N 244.290 2.229 0 40 BEAB CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 108328279 CIAKMBISQNXVMX-ZDEQEGDKSA-N 211.349 2.172 0 40 BEAB O=C1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 135597047 NCTHTNCTMQAJDU-UTUOFQBUSA-N 207.317 2.230 0 40 BEAB O=C(CCC(F)(F)F)NCc1cccnc1 173028321 YUOJIXMHCCWSRW-UHFFFAOYSA-N 232.205 2.040 0 40 BEAB Cc1oncc1Cn1cnc2ccccc21 185455504 ZSSWCXQTJJJTJH-UHFFFAOYSA-N 213.240 2.381 0 40 BEAB COC(=O)c1cccn1-c1cccc(F)c1 223731770 BIFZADBPVWZRMW-UHFFFAOYSA-N 219.215 2.403 0 40 BEAB CC(C)(C)CC(=O)N1CC(Oc2cccnc2)C1 238875043 NVHJIDOFHWNFMV-UHFFFAOYSA-N 248.326 2.107 0 40 BEAB CCn1ncc(C)c1CNCc1ccco1 256053628 SEGXKRGBMVFWEN-UHFFFAOYSA-N 219.288 2.094 0 40 BEAB OCc1c(Cl)cnn1C1CCCC1 685936420 WSODEYUKOGFUIK-UHFFFAOYSA-N 200.669 2.144 0 40 BEAB c1oc([C@H]2CNCC23CCOCC3)nc1C1CC1 1908512009 KEXTVSARVCGLDJ-LLVKDONJSA-N 248.326 2.036 0 40 BEAB Cc1ccc([C@@H]2NC(=O)[C@H](C)S2)cc1 292858 FBQSULSZOOGTHJ-GZMMTYOYSA-N 207.298 2.245 0 40 BEAB Cc1ccc(CC(=O)NCc2ccccn2)cc1 466317 PILUWGMWRBQONS-UHFFFAOYSA-N 240.306 2.249 0 40 BEAB Cc1ccc(N2C(=O)OC(C)(C)[C@]2(C)O)cc1 1022906 KEPHSPWZQCKIMB-ZDUSSCGKSA-N 235.283 2.439 0 40 BEAB COC(=O)C1Cc2cc3c(cc2C1)CCC3 1646112 YBIYVDBNDKGACL-UHFFFAOYSA-N 216.280 2.063 0 40 BEAB CCOc1c(C)cc(CC(=O)O)cc1C 3750748 FLYAWZVOFPRELZ-UHFFFAOYSA-N 208.257 2.329 0 40 BEAB CCCC[C@H](CC)C(=O)NC1=NCCS1 5467338 BOJOIVUYTYKROJ-VIFPVBQESA-N 228.361 2.422 0 40 BEAB N[C@H](Cc1ccccc1-c1ccccc1)C(=O)O 6582699 DBMVJVZQGTXWTP-CQSZACIVSA-N 241.290 2.308 0 40 BEAB CCC[C@@H](Nc1ccc(OC)cc1)C(=O)O 8702793 MAZOTWBXKJKTAK-LLVKDONJSA-N 223.272 2.360 0 40 BEAB CC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 12118749 OBLJDNAQRUQIEQ-UHFFFAOYSA-N 248.282 2.002 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@H](CO)C2)c(C)c1 12975723 XNBHJPZRGBNUMT-ZDUSSCGKSA-N 247.338 2.148 0 40 BEAB Cc1nn(-c2nc3ccccc3o2)c(O)c1C 13610946 DLWLXWCKYNELEU-UHFFFAOYSA-N 229.239 2.336 0 40 BEAB Cc1cccc(CO[C@@H]2CCCNC2)c1 14631593 JYZWSPHMZXUAPY-CYBMUJFWSA-N 205.301 2.264 0 40 BEAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)O 19687230 ZOUQEZRWVQATMA-ZETCQYMHSA-N 240.280 2.023 0 40 BEAB CC(C)CNC(=O)[C@H](C)Nc1ccc(F)cc1 20312861 ZYWAEVFTLQMIAG-JTQLQIEISA-N 238.306 2.398 0 40 BEAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)CN1 22005487 BTQCNBXBTKAVFB-MRVPVSSYSA-N 229.201 2.309 0 40 BEAB in-vitro Cc1cc(NC(=O)CCc2ccccc2)nn1C 28573676 LLUFJGGHBJXXKH-UHFFFAOYSA-N 243.310 2.300 0 40 BEAB CC1(C)COCCN1C(=O)C1CCCCC1 36101936 VXABPRDOSCYHTQ-UHFFFAOYSA-N 225.332 2.204 0 40 BEAB CCN(CC)c1ccc(C(=O)COC)cc1 36202829 XJSVDDLOUWYVCO-UHFFFAOYSA-N 221.300 2.362 0 40 BEAB C=CC(=O)Nc1ccc(-c2cnco2)cc1 37790078 RLEXRUUTZBBICP-UHFFFAOYSA-N 214.224 2.466 0 40 BEAB COC(=O)c1occc1CN1CCC[C@H](C)C1 40475776 INARRJMCCIMNDN-JTQLQIEISA-N 237.299 2.298 0 40 BEAB O=C(CC(F)(F)F)NCCc1ccc(F)cc1 40490334 UVFRCRVARILIPD-UHFFFAOYSA-N 249.207 2.437 0 40 BEAB OCc1ccc(OCc2ccccc2)nc1 40882716 YPIZJUMKFXIJQH-UHFFFAOYSA-N 215.252 2.153 0 40 BEAB in-vitro COc1cc2cc(C=O)c(=O)[nH]c2cc1Cl 41125612 SRIHCIPZDMSMFD-UHFFFAOYSA-N 237.642 2.003 0 40 BEAB OC[C@H]1CCCN1c1ccnc2ccccc12 42434581 FXZBIAVQMTZVKH-LLVKDONJSA-N 228.295 2.196 0 40 BEAB O=C(c1c(O)cccc1Cl)N1CCCC1 48274243 HXHXRDKKDTTZMQ-UHFFFAOYSA-N 225.675 2.282 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)no1 48278727 IZPNRBBBLQGVBD-VIFPVBQESA-N 234.255 2.375 0 40 BEAB COc1ccncc1NC(=O)Nc1ccccn1 58208481 QDNTXEZKYIJFHM-UHFFFAOYSA-N 244.254 2.129 0 40 BEAB O=C(Cc1c(O)cc(O)cc1O)c1ccccc1 64220074 QELRFMKCIJLKFF-UHFFFAOYSA-N 244.246 2.229 0 40 BEAB COc1cc2c(=O)cc(C)[nH]c2cc1Cl 64874615 BGPIRHNVGXSUSM-UHFFFAOYSA-N 223.659 2.499 0 40 BEAB COc1ccc(Cl)c2c1ncc1c(O)n[nH]c12 64874722 BKCHFRGRXOXFLU-UHFFFAOYSA-N 249.657 2.479 0 40 BEAB COc1ccccc1-c1ccnc(C(=O)O)c1 65347329 DINDOERBBKFZRY-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CC(C)CN1CCn2c(nc3cc(N)ccc32)C1 66442677 HLVZFEBQUPTZHE-UHFFFAOYSA-N 244.342 2.090 0 40 BEAB O=C(O)c1cnc2cc(-c3ccccc3)nn2c1 75500587 MYXAIGKYNGTAAJ-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB OCc1cn(-c2ccc(Cl)cc2)cn1 82050712 OOZOQKPDAQCJCD-UHFFFAOYSA-N 208.648 2.018 0 40 BEAB CC(C)CN(C)[C@@H](C)CNC(=O)OC(C)(C)C 84510914 TXOXSMNVDVCKLA-NSHDSACASA-N 244.379 2.487 0 40 BEAB Cc1nsc(-n2c(C)nc3ccccc32)n1 94166165 CYBZAQMPLVKYQI-UHFFFAOYSA-N 230.296 2.494 0 40 BEAB O=C(c1ccco1)N1CCOC2(CCCC2)C1 95422744 LACTYWDUAGIHPG-UHFFFAOYSA-N 235.283 2.065 0 40 BEAB O=Cc1ccc(COC[C@@H]2CCCO2)c(F)c1 95738703 NNDHGECSMSBVOE-LBPRGKRZSA-N 238.258 2.334 0 40 BEAB CCS(=O)(=O)/C=C/c1ccc(C)cc1 96510043 ZDWKBZIXQOUZEB-CMDGGOBGSA-N 210.298 2.400 0 40 BEAB CC(=O)Nc1cc(/C=C/C(=O)O)ccc1Cl 140776768 LJXLJTJWDINEOG-HWKANZROSA-N 239.658 2.396 0 40 BEAB COc1cc(C)c(NC(=O)C(C)(C)C)cn1 222845216 VELPQBCGOOZTNK-UHFFFAOYSA-N 222.288 2.383 0 40 BEAB CCO[C@@H](Cc1ccc(CC)cc1)C(=O)O 225044281 UQMFEYAAVFEFRU-LBPRGKRZSA-N 222.284 2.281 0 40 BEAB CN1C[C@H](c2cccc(Cl)c2)[C@@H](C(=O)O)C1 225608213 LYKVXZWRFQNWBF-MNOVXSKESA-N 239.702 2.070 0 40 BEAB C[C@H]1CNCC[C@@]1(O)Cc1cccc(Cl)c1 229562565 WBIRVXSEODWUTC-GXFFZTMASA-N 239.746 2.243 0 40 BEAB CCCCNCc1cc(C)nn1CCC 256049823 BQDAPVOPIZSZLB-UHFFFAOYSA-N 209.337 2.491 0 40 BEAB COc1cccnc1N1C[C@H]2CCC[C@H]2C1 527919786 KGLPVTGZUJUVSP-PHIMTYICSA-N 218.300 2.327 0 40 BEAB CCc1nocc1Cn1cc(Cl)ccc1=O 567061266 RJYKSUUJKVNLBA-UHFFFAOYSA-N 238.674 2.100 0 40 BEAB COC(=O)n1c(SC)nc2ccccc21 58798 LDLXKHLTCRYGGK-UHFFFAOYSA-N 222.269 2.373 0 40 BEAB CCC[C@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 345807 CUTUPAFHGKKFBU-RYUDHWBXSA-N 247.294 2.357 0 40 BEAB CNc1nnc(-c2cccc(N(C)C)c2)s1 1352435 ZFBFXUMZDWANJB-UHFFFAOYSA-N 234.328 2.313 0 40 BEAB O=C(O)C(=O)C(F)(F)c1ccc(Cl)cc1 2386518 BGZJKVSDUDGERJ-UHFFFAOYSA-N 234.585 2.086 0 40 BEAB CCCC(=O)Nc1nc(C(=O)OCC)cs1 3202654 KVTPGKJQXZMOGB-UHFFFAOYSA-N 242.300 2.058 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCO2)c(C)c1 5538594 PMAWUMLIODPLBT-GFCCVEGCSA-N 219.284 2.421 0 40 BEAB CCN(CC)C(=O)NCCc1ccccc1 6462680 FKOXRCOZGMUTFX-UHFFFAOYSA-N 220.316 2.281 0 40 BEAB CCN(CCc1ccncc1)c1ccc(N)cn1 11568725 KMQVWQVKNBGYRI-UHFFFAOYSA-N 242.326 2.128 0 40 BEAB Cc1ccccc1N1[C@@H](C)CNC[C@H]1C 11632597 NDHVNJMTOCZUEU-TXEJJXNPSA-N 204.317 2.182 0 40 BEAB COc1cc(C(F)(F)F)sc1C(=O)O 12394719 UDHXNKJSJKISON-UHFFFAOYSA-N 226.175 2.474 0 40 BEAB in-vitro CCc1ccc([C@@H](C)NS(=O)(=O)CC)cc1 14219154 FZEFHXGTSQXXHV-SNVBAGLBSA-N 241.356 2.249 0 40 BEAB CC(C)c1ccc([C@@H](CN)N2CCOCC2)cc1 19796054 SYGSUGSNNBDIRF-OAHLLOKOSA-N 248.370 2.142 0 40 BEAB COC(=O)c1ccc2[nH]c(SC)nc2c1 22115544 MFZKBKUSEAHYKU-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB Cc1cc(Cl)c(C)c(N)c1N1CCOCC1 22122000 ZUFZUEBBJYUHHO-UHFFFAOYSA-N 240.734 2.376 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1 32981941 LCAGTUYVRBIWJP-ZYHUDNBSSA-N 203.285 2.267 0 40 BEAB COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)C1=O 39374902 XOVYXMADLVXMOC-MNOVXSKESA-N 216.280 2.389 0 40 BEAB O=C1CCC(c2ccc3c(c2)CCCC3)=NN1 41125632 ZQEMZWKCFCVNCD-UHFFFAOYSA-N 228.295 2.180 0 40 BEAB Cc1cc(C(=O)NC2CC2)nn1-c1ccccc1 41453701 UAQBTNDJBVAATP-UHFFFAOYSA-N 241.294 2.073 0 40 BEAB Cc1csc(CNC(=O)CC(C)C)n1 41535052 WVICGEZOYFETDS-UHFFFAOYSA-N 212.318 2.114 0 40 BEAB CCONC(=O)c1ccc(-n2cccc2)cc1 44893227 NGFCENNCLUYCOW-UHFFFAOYSA-N 230.267 2.159 0 40 BEAB COCCN(CCOC)Cc1ccccc1C 48343681 ZCPRDCUVUCRCCV-UHFFFAOYSA-N 237.343 2.090 0 40 BEAB COc1ccccc1CNC[C@H]1CCC=CO1 50267173 NVORKNDNRBFYSE-CYBMUJFWSA-N 233.311 2.478 0 40 BEAB CN[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207664 XAMKXROYRZILBP-WDEREUQCSA-N 242.363 2.384 0 40 BEAB c1ccc(Nc2nccc([C@@H]3CCCN3)n2)nc1 72376719 MQQRCGSUGLJGRM-JTQLQIEISA-N 241.298 2.040 0 40 BEAB Cc1cccc(CCCNC(=O)C2CC2)c1 74554265 SGASUKRRHREIOK-UHFFFAOYSA-N 217.312 2.454 0 40 BEAB NCc1ccc([C@@H](O)c2ccccc2)s1 75468527 AZXLOZAAYFBNOG-LBPRGKRZSA-N 219.309 2.289 0 40 BEAB C[C@@H](N)c1ccc2[nH]c(C3CC3)nc2c1 77297121 AFYMMCOSEWYPHA-SSDOTTSWSA-N 201.273 2.460 0 40 BEAB CC(C)CS(=O)(=O)c1ccccc1F 82817931 ZXJPHZXEDMVVDQ-UHFFFAOYSA-N 216.277 2.255 0 40 BEAB Cn1ncc2ccc([C@@H]3CCCCN3)cc21 82969370 JKFNAXSZWIUAKO-LBPRGKRZSA-N 215.300 2.388 0 40 BEAB CO[C@@H](C)c1nc(-c2cnn(C)c2)cs1 89913604 BKIYYZHOKOPFGZ-ZETCQYMHSA-N 223.301 2.251 0 40 BEAB CCc1oc(C(=O)OCc2nccn2C)cc1C 91108450 MVDVBLNCSMHXKL-UHFFFAOYSA-N 248.282 2.241 0 40 BEAB CCC[C@](C)(CO)NC[C@H]1CC=CCC1 95434019 ORQCYYXHMFCLTB-QWHCGFSZSA-N 211.349 2.483 0 40 BEAB Brc1cnn(-c2cscn2)c1 96135355 NBVIMCUBPQPBSA-UHFFFAOYSA-N 230.090 2.091 0 40 BEAB COCCc1noc([C@@H]2CC=CCC2)n1 96405251 IRCZYLYIJLVYBX-SECBINFHSA-N 208.261 2.082 0 40 BEAB CCc1ccc(NC[C@@H]2C[C@H]2CN)cc1 96509423 LWWYZGKFDTUAQN-RYUDHWBXSA-N 204.317 2.256 0 40 BEAB CSCC[C@@H](N)CN(C)Cc1ccccc1 96523848 SAECLIOPLWNVPM-CYBMUJFWSA-N 238.400 2.199 0 40 BEAB CC[C@@H](OC)c1ncc(CCOC)c(Cl)n1 96529196 BNKUFZKKZLBJTB-SECBINFHSA-N 244.722 2.416 0 40 BEAB Cc1cc(O)n2nc(C3CCCCC3)nc2n1 96781118 AITODUJXOOLUHE-UHFFFAOYSA-N 232.287 2.186 0 40 BEAB CCc1c(O)[nH]c(=S)n(-c2ccccc2)c1=O 100746947 VXWXNLDZGTXNRH-UHFFFAOYSA-N 248.307 2.163 0 40 BEAB CN(CCC1CCOCC1)[C@H]1CCCC[C@H]1O 110695231 OJOYQPFWTQYPDQ-UONOGXRCSA-N 241.375 2.038 0 40 BEAB O=C(NC1CCCC1)N1C[C@H]2CCC[C@H]2C1 130416831 VRHFVEQFBGDWQJ-PHIMTYICSA-N 222.332 2.371 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@](F)(CN)CC1 169804925 RZYCZJFHVWKUCW-GFCCVEGCSA-N 246.326 2.074 0 40 BEAB CCSCCSCc1nc(N(C)C)no1 194691049 JTECFJVSAJEMDX-UHFFFAOYSA-N 247.389 2.122 0 40 BEAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CO2 217991325 KCWTUTJWGBZQPM-SKDRFNHKSA-N 227.304 2.032 0 40 BEAB CC(C)COCCN(C)CC1CCOCC1 225722253 NPYPXINBWCFCOR-UHFFFAOYSA-N 229.364 2.017 0 40 BEAB CCCOC(=O)c1cc(NC)ccc1N(C)C 226276986 MUMBCWKWPMIFHT-UHFFFAOYSA-N 236.315 2.361 0 40 BEAB ON=Cc1ccc(F)cc1Br 257353537 RTEIVRVDVVVSMK-UHFFFAOYSA-N 218.025 2.396 0 40 BEAB Cc1cc(=O)n(Cc2ccc(Cl)cc2)cn1 677794696 ACZXBENQADURLX-UHFFFAOYSA-N 234.686 2.253 0 40 BEAB CCN(CC)C(=O)c1ccc(OC(C)=O)cc1 49682 MJMONPIQLBQZFL-UHFFFAOYSA-N 235.283 2.094 0 40 BEAB O=c1c2ccccc2nc2n1-c1ccccc1CC2 519177 UMNCYWHVYBMMOO-UHFFFAOYSA-N 248.285 2.484 0 40 BEAB biogenic CCOC[C@H]1CO[C@@H](c2ccccc2)O1 1676076 FQZXEIINCWCJOF-NWDGAFQWSA-N 208.257 2.137 0 40 BEAB Cc1cc(N(C)c2ccccc2)nc(N)n1 1679719 RCBOYLZEXPANRT-UHFFFAOYSA-N 214.272 2.135 0 40 BEAB O=C(O)C12CCC(CC1)N2Cc1ccccc1 2524300 MPXBWAGUSGBWPQ-UHFFFAOYSA-N 231.295 2.268 0 40 BEAB CCOC(=O)CCc1ccc2c(c1)NC(=O)CC2 3845232 CAWBULKPEUITAY-UHFFFAOYSA-N 247.294 2.067 0 40 BEAB biogenic,in-vitro C[C@@H]1C[C@H]2C[C@H](C(=O)O)C(C)(C)[C@]2(C(=O)O)C1 5029111 OACUAIIJUUAESB-LOKDSWTASA-N 240.299 2.234 0 40 BEAB Cc1cccc(C)c1CN1CCC[C@@H]1C(=O)O 6207582 VOCFXYDRCRGQNS-CYBMUJFWSA-N 233.311 2.352 0 40 BEAB CC(C)c1n[nH]c(SC[C@@H]2CCCO2)n1 6782165 FXXCECMXBPMFNO-QMMMGPOBSA-N 227.333 2.199 0 40 BEAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCCC1 12389021 ONDDKCJABRYASU-ZDUSSCGKSA-N 244.294 2.389 0 40 BEAB Cc1cccc(C(=O)NCCCn2ccnc2)c1 15974355 KTHZDKHDCIBZPG-UHFFFAOYSA-N 243.310 2.012 0 40 BEAB NCc1coc(-c2ccc(Cl)cc2)n1 19723002 BFHJJQJWZYWQSL-UHFFFAOYSA-N 208.648 2.454 0 40 BEAB CC(C)[C@@H](N)c1nc(-c2ccccc2)no1 19785546 ORHFAVJIUVVIMO-SNVBAGLBSA-N 217.272 2.392 0 40 BEAB in-vitro COc1cc(OC)cc([C@@H]2C[C@H]2[C@@H](C)N)c1 20594412 SCBRMCDRXPTYCI-JCOFBHIZSA-N 221.300 2.155 0 40 BEAB Cc1c(CCC(=O)NC2CCCCC2)cnn1C 28575429 WRVDUFSMXDXJHQ-UHFFFAOYSA-N 249.358 2.110 0 40 BEAB Nc1nc2ccc(-c3cncnc3)cc2s1 32561821 LRESWXFZHIWGFE-UHFFFAOYSA-N 228.280 2.336 0 40 BEAB O=C(O)c1cccc2[nH]c(-c3ccccn3)nc12 35962973 ORKPQHISLNQQGP-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB Cc1cc(N)ccc1N1CCSCC1 36950086 XVWKDMQTVZABID-UHFFFAOYSA-N 208.330 2.130 0 40 BEAB in-vitro COc1ccc(N(C)C(=O)c2ccccc2)cn1 48354759 ATKDASKSGPJQOM-UHFFFAOYSA-N 242.278 2.367 0 40 BEAB COc1ccccc1[C@@H]1CCCCN1C=O 72221491 SHUMXPMIEVZISD-LBPRGKRZSA-N 219.284 2.379 0 40 BEAB O=C(NC1CC1)c1nnsc1-c1ccccc1 72239968 SRKLVQCTBVBGRZ-UHFFFAOYSA-N 245.307 2.097 0 40 BEAB CN(C)/C=C1/C(=O)Nc2cc(Cl)ccc21 73048705 YJDOALCKVFVBTA-RMKNXTFCSA-N 222.675 2.195 0 40 BEAB Nc1nc(Cl)cc(N[C@H]2CCCSC2)n1 75094117 XXAPDWMMSYYSDU-LURJTMIESA-N 244.751 2.020 0 40 BEAB C[C@@H]1C[C@@H]1NC(=N)Nc1ccc(F)cc1F 75583758 PMQKRTQDHLDOHL-LDWIPMOCSA-N 225.242 2.309 0 40 BEAB COc1cc(F)c2cc(C(=O)O)[nH]c2c1 82376581 PZFGHNKOFGUPCM-UHFFFAOYSA-N 209.176 2.014 0 40 BEAB CC(C)N1CCCc2c(CN)cccc21 82639663 COCCDKQIIKKLDT-UHFFFAOYSA-N 204.317 2.306 0 40 BEAB O=C1NC[C@H](c2ccccc2Br)O1 83254032 PUKUZZNKOSNMBV-MRVPVSSYSA-N 242.072 2.230 0 40 BEAB in-vitro CC(C)[C@H](N)c1cncc(Br)c1 84191764 MACHDQGVTVCRIA-VIFPVBQESA-N 229.121 2.500 0 40 BEAB C[C@H]1CN(CCC(=O)O)c2ccccc21 84771506 OVEZBLUOUQSWTI-VIFPVBQESA-N 205.257 2.085 0 40 BEAB O=C1CC2(CCNCC2)c2ccc(F)cc21 84780262 HEIYCCPCPODGIR-UHFFFAOYSA-N 219.259 2.033 0 40 BEAB O=C(NC[C@H]1CCCS1)C1CCCC1 89818027 CBZYWHMMWNBDDB-SNVBAGLBSA-N 213.346 2.188 0 40 BEAB C[C@@H]1CC[C@H](C(=O)N2CC(C)(C)C2(C)C)O1 89922799 FSHJBLIITCIKMH-NXEZZACHSA-N 225.332 2.201 0 40 BEAB CC[C@@H]1NCCC[C@@H]1[C@H](O)c1ccccc1 95095232 HTUWJVPCNGAXBL-MELADBBJSA-N 219.328 2.498 0 40 BEAB O=C(Cc1ccc(F)cc1)NCCc1ccoc1 96096823 DLFIRKWNJMRXAC-UHFFFAOYSA-N 247.269 2.320 0 40 BEAB CCOc1cccc(Cn2cc(C)cn2)n1 97085696 DCVXTGHLNHQUAU-UHFFFAOYSA-N 217.272 2.034 0 40 BEAB CCOc1cc(F)c(F)cc1C(=O)O 107370058 CCJDMPHAYJQBQO-UHFFFAOYSA-N 202.156 2.062 0 40 BEAB Cc1noc(-c2cn(C(C)C)nc2C)n1 518795831 GKUPPTXYWXSPEM-UHFFFAOYSA-N 206.249 2.131 0 40 BEAB C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCO 953119857 VAYGHFNJQFTZJD-QWRGUYRKSA-N 243.347 2.262 0 40 BEAB O=C1CCCc2c1cnn2Cc1ccccc1 18555 KZRACVAICNSDTK-UHFFFAOYSA-N 226.279 2.450 0 40 BEAB O=C(c1cccs1)n1c(=O)oc2ccccc21 507230 NIBRTPMDKIQXKR-UHFFFAOYSA-N 245.259 2.345 0 40 BEAB Cc1ccc(C)c(N[C@@H]2SC(=O)NC2=O)c1 1273019 VLFNDYXNMUVQNO-SNVBAGLBSA-N 236.296 2.024 0 40 BEAB CCNc1ncnc2c1cnn2-c1ccccc1 1576825 DPCVGXVTZUOCAZ-UHFFFAOYSA-N 239.282 2.247 0 40 BEAB CN(c1ccccc1)c1cc(Cl)nc(N)n1 1675991 DKWQGENYTFFROV-UHFFFAOYSA-N 234.690 2.480 0 40 BEAB CC(=O)c1cc(C(=O)O)c2ccccc2n1 1720895 XMLRMPZJXLUDAD-UHFFFAOYSA-N 215.208 2.136 0 40 BEAB O=C(O)C[C@H](C(=O)O)c1ccc(C2CC2)cc1 4763487 MTTZPLKVZPUBBK-NSHDSACASA-N 234.251 2.207 0 40 BEAB C[C@H](Sc1ccc2ccccc2n1)C(N)=O 5627157 WSNBKADWQCUAES-QMMMGPOBSA-N 232.308 2.201 0 40 BEAB CCCCCCNC(=O)Nc1ncccn1 6264044 XLIVQQSFTVRAEP-UHFFFAOYSA-N 222.292 2.178 0 40 BEAB c1ccc(CCN[C@@H]2CCSC2)cc1 6650856 XHGBEWFMBWGCAI-GFCCVEGCSA-N 207.342 2.324 0 40 BEAB CCOc1ccc(NC(=O)c2cnn(C)c2)cc1 7915740 HAYVQHOKUVYCSN-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 12931352 KAIOSRQHKAAEBN-JOYOIKCWSA-N 237.274 2.182 0 40 BEAB O=c1[nH]c(N2CCCC2)cc2ccccc12 12983553 YGHVWKFNYLLGEJ-UHFFFAOYSA-N 214.268 2.128 0 40 BEAB in-vitro CC[C@H](C)NC(=O)c1cc(F)cc(F)c1 13004350 ZEBBQXRYKLHOMH-ZETCQYMHSA-N 213.227 2.493 0 40 BEAB CN(Cc1ccccc1)C[C@H]1CCCCN1 20072512 HWUKMLXFIHYODW-CQSZACIVSA-N 218.344 2.261 0 40 BEAB O=S(=O)(O)c1cccc2c(Cl)nccc12 22054646 FGQPVNODELDKQF-UHFFFAOYSA-N 243.671 2.135 0 40 BEAB in-vitro O=C(NCCc1cccs1)c1ccccn1 22505184 PFRPTNWPPZPYGM-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB C[C@@H](NC(=O)c1ccco1)c1ccccn1 28781049 AUYZDLOEECPEPN-SECBINFHSA-N 216.240 2.166 0 40 BEAB O=C(O)/C=C\c1cc(F)cc(F)c1F 33374093 FHDPERUKPYYNEO-UPHRSURJSA-N 202.131 2.202 0 40 BEAB CCOC(=O)c1ccc2[nH]c(C)nc2c1 34494140 HVEHULVPFMWQAB-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB COC(=O)c1cc2cccc(OC)c2cc1O 34929304 PLYWZUWQMPOPDP-UHFFFAOYSA-N 232.235 2.341 0 40 BEAB COCCNCc1cc(C)c(C)cc1C 34990796 WQXFZAIGYAYZPI-UHFFFAOYSA-N 207.317 2.348 0 40 BEAB OCCCCOc1ccc(Cl)cc1 35650236 NPNGAZUTDWCHAO-UHFFFAOYSA-N 200.665 2.491 0 40 BEAB CCCN(CC1CC1)C(=O)[C@H](N)CC(C)C 36200208 UUSQNMNSVNMAPY-GFCCVEGCSA-N 226.364 2.008 0 40 BEAB CN(C)C(=O)CN[C@@H]1CCCC[C@H]1C(C)(C)C 37207479 DDIOPXRIDRCGHI-VXGBXAGGSA-N 240.391 2.269 0 40 BEAB CC(C)(C)N1CCC(NCc2ccccn2)CC1 37786243 ZSLFWVFESMZHGV-UHFFFAOYSA-N 247.386 2.434 0 40 BEAB COc1ccc([C@H](O)C(F)(F)F)cc1F 40262856 BVVRAFNBWJQLHV-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CC[C@@H]1N=C(c2ccccc2)SCN1 41124482 QQOYGYGODQFNOS-JTQLQIEISA-N 206.314 2.463 0 40 BEAB CCOC(CCO[C@H]1CCCCO1)OCC 43503330 ZLCNBNMNBUMLIP-NSHDSACASA-N 232.320 2.319 0 40 BEAB CCN(CC)Cc1nc(-c2ccco2)no1 44072819 XMBUQIREWMFMEH-UHFFFAOYSA-N 221.260 2.171 0 40 BEAB CCCc1noc([C@@H](C)N2CCSCC2)n1 44950571 VZVHHANHGMJLGZ-SECBINFHSA-N 241.360 2.132 0 40 BEAB CC(C)c1cc(C(=O)NC(C)(C)C)n[nH]1 48687816 AKNGKGHNXXFRCM-UHFFFAOYSA-N 209.293 2.061 0 40 BEAB CC[C@@H](C)c1noc([C@@H]2CCCNC2)n1 57340779 LIRWVCGSRVEEHM-RKDXNWHRSA-N 209.293 2.050 0 40 BEAB CC(C)n1c(N)nnc1SCc1cccnc1 62801126 ZSZCEJQKCUYVSS-UHFFFAOYSA-N 249.343 2.129 0 40 BEAB Cc1ccc(N)c(F)c1Br 75926064 XKRVJFWBGCGVFA-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB N[C@H]1CCCC[C@@H]1N1CCc2ccccc2CC1 78814857 GPDIWTKRSWQQLY-HOTGVXAUSA-N 244.382 2.357 0 40 BEAB CC(C)OC(=O)c1ccc(-n2cccc2)nc1 79055953 ISJQCVGGICNTEJ-UHFFFAOYSA-N 230.267 2.438 0 40 BEAB CC(C)[C@H](C(=O)O)c1ccccc1C(=O)O 82290140 SFGVPYNLDDZITO-JTQLQIEISA-N 222.240 2.209 0 40 BEAB OCC1(Nc2ccc(Cl)cn2)CCC1 95459732 YMDCKHZUYSORNR-UHFFFAOYSA-N 212.680 2.062 0 40 BEAB CCOC(C/C=C/[C@@H](O)C(F)(F)F)OCC 95611833 TZHASAQNBQUFHS-HQZHTGGTSA-N 242.237 2.255 0 40 BEAB C[C@@H](O)[C@@H](C)SCc1nccn1C(F)F 96430307 BFGLPRYCFJTQGJ-RNFRBKRXSA-N 236.287 2.281 0 40 BEAB COC[C@H](C)Nc1ncnc2ccc(F)cc12 96453173 SJRTUFONTCVWMT-QMMMGPOBSA-N 235.262 2.216 0 40 BEAB C[C@]1(c2cccc(Cl)c2)CNCCO1 96526555 YBSAVMKBIMEBCE-LLVKDONJSA-N 211.692 2.175 0 40 BEAB COC(=O)c1coc(-c2ccnc(Cl)c2)n1 96675731 MSHHKSNHYZPFJW-UHFFFAOYSA-N 238.630 2.177 0 40 BEAB CN(C)[C@@H]1[C@H](N(C)C)[C@@H]2CC[C@]1(C)C2(C)C 100364841 WWHMPEUSLLXFGZ-SFTQSGBHSA-N 224.392 2.303 0 40 BEAB Cc1noc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)n1 107490952 BYKQZLNLBXUTIM-LPEHRKFASA-N 235.287 2.143 0 40 BEAB COC(=O)c1sc(C(C)=O)c2c1CCC2 148859983 HUYIGIFSLALLPT-UHFFFAOYSA-N 224.281 2.226 0 40 BEAB CCOC[C@@H](C)OC(=O)c1csnc1C 190724722 NWHMNKGOSNRJHZ-SSDOTTSWSA-N 229.301 2.033 0 40 BEAB CCOC(=O)C(C[Si](C)(C)C)C(=O)OCC 195767027 ZEOGFXACYDZIKN-UHFFFAOYSA-N 246.379 2.067 0 40 BEAB O=C(CO)c1c(Cl)cccc1Cl 218514757 FFBWGIPPOPTJSK-UHFFFAOYSA-N 205.040 2.168 0 40 BEAB CCOC(=O)c1[nH]ccc1-c1ccccn1 238296849 DIVMOPHBYCDZHZ-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB CC(C)(C)OC(=O)[C@]1(N)C[C@@H]1c1ccccc1 253179819 BWHFMXFCBHHMIA-RISCZKNCSA-N 233.311 2.213 0 40 BEAB Cc1cnn(C)c1NCc1cnn(CC(C)C)c1 256052009 LNDMPQIIGTUTGX-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB O=Cc1cncc(-c2cccs2)c1O 263619012 WMQGPNCUAHZHKG-UHFFFAOYSA-N 205.238 2.328 0 40 BEAB CC(C)COCc1nn(C)cc1Cl 408715472 QNVDBUHHUUPKKC-UHFFFAOYSA-N 202.685 2.246 0 40 BEAB CCOC(=O)[C@H](CCN(C)C)Cc1ccccc1 504300638 LVGYZCJPDTZCNY-CQSZACIVSA-N 249.354 2.360 0 40 BEAB in-vitro CC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 527534928 XGTVBHPAISRHQJ-SDDRHHMPSA-N 221.687 2.114 0 40 BEAB Cc1nn(C)cc1-c1cccc(CO)c1C 649442191 BOQRCYBJCKJSTF-UHFFFAOYSA-N 216.284 2.196 0 40 BEAB O=C(O)[C@@]1(c2ccccc2F)CC1(F)F 1536092383 HMNWUIZDZDHAQE-VIFPVBQESA-N 216.158 2.187 0 40 BEAB CN(C(=O)O)c1cncc(C(F)(F)F)c1 1772820888 FWDPOMHKHRLTAE-UHFFFAOYSA-N 220.150 2.215 0 40 BEAB COC[C@H]1Cc2cc3c(c(N)c2C1)CCC3 2113469523 HKAPMBAMUIUWDO-VIFPVBQESA-N 217.312 2.119 0 40 BEAB C[C@@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O 106007 XYDOFTXQCQDRSV-ZCFIWIBFSA-N 244.699 2.089 0 40 BEAB NC(=O)c1cc(-c2cccc(Cl)c2)no1 508122 CTQKAIPYGFAGEB-UHFFFAOYSA-N 222.631 2.094 0 40 BEAB COc1ccc(-c2cccc(=O)o2)cc1 752022 KXFKLCMMRXYWQZ-UHFFFAOYSA-N 202.209 2.315 0 40 BEAB biogenic CCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1 1456899 KXMJDJCQVDISGH-LBPRGKRZSA-N 235.283 2.203 0 40 BEAB CCCNC(=O)Nc1ccc2c(c1)nc(C)n2C 2065552 GGXNPLFCQIVQJY-UHFFFAOYSA-N 246.314 2.413 0 40 BEAB Fc1cccc(CNCCCn2ccnc2)c1 2510442 HAQKVBPVRIFGKX-UHFFFAOYSA-N 233.290 2.202 0 40 BEAB N=C(CCCCCCN1CCCCC1)NO 3173894 WUIDDWQRBVUWKU-UHFFFAOYSA-N 227.352 2.379 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@@H](C(C)C)CC[C@H]1C 3845737 QEDHJKYYYBPRDH-YUSALJHKSA-N 226.316 2.437 0 40 BEAB BrC1=C[C@@H]2CC=CC[C@H](C1)N2 4993050 ZBOJQGQSDVXMFH-DTWKUNHWSA-N 214.106 2.346 0 40 BEAB C/C=C\CS(=O)(=O)Cc1ccccc1 5339971 VBDZEMXCIHUOHC-IHWYPQMZSA-N 210.298 2.178 0 40 BEAB CCOC(=O)[C@](C)(Br)CC 5599434 ALHOFXQMBUWICK-SSDOTTSWSA-N 209.083 2.113 0 40 BEAB CC[C@@H](NC(=O)c1cnccn1)c1ccccc1 5954092 QVUMNVNUUBWIEG-GFCCVEGCSA-N 241.294 2.358 0 40 BEAB COc1cc(O)c2c(=O)oc(C)c(C)c2c1 6520638 ISJYICQTJIFNAX-UHFFFAOYSA-N 220.224 2.124 0 40 BEAB biogenic,in-vitro Cc1sc2ncnc(NC[C@H](C)O)c2c1C 6559728 IFCCDPBUXHNJQQ-LURJTMIESA-N 237.328 2.101 0 40 BEAB COC[C@H](Cc1ccc(Cl)cc1)C(=O)O 11977166 OYFIZMCQNZQEHU-VIFPVBQESA-N 228.675 2.230 0 40 BEAB CC(C)c1ccc2[nH]c(=O)c(CN)cc2c1 11980166 PAURAVOLQCVPKI-UHFFFAOYSA-N 216.284 2.110 0 40 BEAB Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1 13282284 SNBBQZGVKQEBQT-UHFFFAOYSA-N 234.690 2.270 0 40 BEAB O=C1CCC(c2ccc(Cl)s2)=NN1 14119680 UGVWCDMPMUDSKW-UHFFFAOYSA-N 214.677 2.016 0 40 BEAB COCCCOc1c(N)cccc1Cl 14629230 FLHYGAZNWBJQPU-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB Nc1nonc1-c1ccc2c(c1)CCCC2 19772646 KCYGUIPSSHZORX-UHFFFAOYSA-N 215.256 2.198 0 40 BEAB COC(=O)[C@H]1CC(=S)N(c2ccccc2)C1 20358009 UUSBHARQPISLSU-VIFPVBQESA-N 235.308 2.013 0 40 BEAB O=C(O)c1oc2ccccc2c1Cn1cccn1 20433671 OVDDTXIRGQDFRM-UHFFFAOYSA-N 242.234 2.376 0 40 BEAB in-vitro CC(C)[C@@H](N)[C@H](O)c1ccc(Cl)cc1 32012875 NFBNILRAYFAGBW-GHMZBOCLSA-N 213.708 2.357 0 40 BEAB CCCNC(=O)c1cc(-c2cccs2)[nH]n1 32611042 KJNPUVCCSJPTRA-UHFFFAOYSA-N 235.312 2.278 0 40 BEAB CCSc1ccc(/C=C\C(=O)O)cn1 33380901 JTZCIXOZPLXPDF-XQRVVYSFSA-N 209.270 2.291 0 40 BEAB O=C(O)c1cccn1-c1ccccc1F 35431424 BPYMSIJMVDGOLO-UHFFFAOYSA-N 205.188 2.315 0 40 BEAB CCOCCN[C@@H]1CCc2ccccc21 36229050 ZMGGTJQHNFMWHA-CYBMUJFWSA-N 205.301 2.300 0 40 BEAB Cc1cc(NC(=O)c2cc(Cl)ccn2)no1 36804740 OWILDQARQAKZAX-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB O[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 38538928 MEBRSZYUCIHFKS-SECBINFHSA-N 229.682 2.046 0 40 BEAB O=C(C1CC1)N1CCC[C@@H](C(F)(F)F)C1 40462068 JQXYACZQKBAXMF-MRVPVSSYSA-N 221.222 2.197 0 40 BEAB CC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 41172931 JTZGRTJSUZPGLD-LBPRGKRZSA-N 239.702 2.260 0 40 BEAB Cc1ccc(C)c(OC[C@H]2CCNC2)c1 42772585 VCDZFELMGRLXKE-LBPRGKRZSA-N 205.301 2.292 0 40 BEAB Clc1cccc(OC[C@@H]2CCNC2)c1 42772681 LXOOZNQVAQKDBC-SECBINFHSA-N 211.692 2.328 0 40 BEAB Oc1ccccc1OCCOCC(F)(F)F 49311444 CMZJWMZBAXBUIE-UHFFFAOYSA-N 236.189 2.350 0 40 BEAB CN1Nc2cc3ccccc3nc2NC1=O 62710295 MEJKDVBWBAUJMN-UHFFFAOYSA-N 214.228 2.039 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2c(F)ccc(C)c21 64874866 GCDSREKZBDGVMH-UHFFFAOYSA-N 249.241 2.167 0 40 BEAB C[C@H](SCCOC(C)(C)C)C(=O)NC1CC1 69737168 JDALORFLPKYNTB-VIFPVBQESA-N 245.388 2.202 0 40 BEAB CCOC(=O)C(=O)c1nc2ccccc2s1 72194359 XWOIZBDKZDPDQY-UHFFFAOYSA-N 235.264 2.042 0 40 BEAB CC[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 72208631 XSXPDTDOTYDGDD-UWVGGRQHSA-N 229.320 2.157 0 40 BEAB Cc1cncc([C@@H]2CCCN2C(=O)C(C)C)n1 72361250 UZLLUVYZDJNENE-LBPRGKRZSA-N 233.315 2.105 0 40 BEAB Cc1ccc(-c2nsc(C(=O)O)n2)cc1 74076111 OWNUEMIYEVKKIW-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB C[C@@H](c1ccccc1)N1CC(O)(C2CC2)C1 84377131 GUCXNUUNIFTURC-NSHDSACASA-N 217.312 2.204 0 40 BEAB CCCc1ccc(-c2cnn(CCO)c2)cc1 85395206 PLDDYKICFJGXDR-UHFFFAOYSA-N 230.311 2.495 0 40 BEAB COc1cncc(N2C[C@H]3CCCC[C@H]3C2)n1 86187606 KUTVBACYIQMQDW-PHIMTYICSA-N 233.315 2.112 0 40 BEAB COC(=O)C(=O)c1ccc(Cl)c(C)c1 95729614 HUVXMOIZNQPKIS-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB Cc1cccc(OC(=O)c2cn(C)nc2C)c1F 97055390 LDBHLDSXGMLHET-UHFFFAOYSA-N 248.257 2.395 0 40 BEAB Cc1cccc(NC(=O)NCCC2CC2)n1 97378712 GUZMHQYEVCNSSB-UHFFFAOYSA-N 219.288 2.312 0 40 BEAB CC(C)=CC/C=C1/CC[C@@H]2C(=O)NC(=O)[C@H]2C1 100742306 XPGHNXMVHVOVHW-OUONCDGISA-N 233.311 2.342 0 40 BEAB biogenic Cn1c(=S)[nH]c(O)c(C2CCCCC2)c1=O 100933629 BQYHOWCQROCDGH-UHFFFAOYSA-N 240.328 2.196 0 40 BEAB O=C1CCC(=O)C1=NNc1ccccc1Cl 109708065 OMGWROHKASTHNW-UHFFFAOYSA-N 236.658 2.040 0 40 BEAB C[Si](C)(C)c1cc(F)c(F)c(C(=O)O)c1 169807294 GHOKIPQZVJHJKU-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB C[Si](C)(C)CN1C(=O)c2ccccc2C1=O 171632215 FDUSEQGNRUIRAH-UHFFFAOYSA-N 233.343 2.160 0 40 BEAB O=Cc1c(Br)ccc2[nH]ncc12 216130492 AUTBNDOSEFBISV-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Fc1ccccc1N1CCN[C@@H]2CCC[C@@H]21 225716853 GLTPNMWLBDHGSZ-YPMHNXCESA-N 220.291 2.156 0 40 BEAB FC(F)(F)CSC[C@H]1CCCO1 308088021 QMRPBSVJUCXYJD-ZCFIWIBFSA-N 200.225 2.461 0 40 BEAB Cc1cc(CN(C)[C@H]2CCCOC2)sn1 639173298 SDMWNZOJBSUCAY-JTQLQIEISA-N 226.345 2.062 0 40 BEAB COc1cc(OC)cc(C(=O)NCC(C)C)c1 362066 NHRSCIPSUYHNCU-UHFFFAOYSA-N 237.299 2.090 0 40 BEAB CC(C)OC(=O)c1csc2nnsc12 385894 HCORMVBVEDNCBS-UHFFFAOYSA-N 228.298 2.318 0 40 BEAB CSc1cc(NCc2ccccc2)nc(N)n1 1685084 WEXZNYJEUMDKLL-UHFFFAOYSA-N 246.339 2.393 0 40 BEAB N[C@H](CC(=O)O)c1csc2ccccc12 2597519 ZIEXFAWVYRGQRV-SECBINFHSA-N 221.281 2.376 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@@H](C(C)C)CC[C@@H]1C 3845738 QEDHJKYYYBPRDH-MVWJERBFSA-N 226.316 2.437 0 40 BEAB CC(C)CC[C@@H]1SC(=O)N(C)C1=O 4089238 DWTGZSAXBHCXIQ-ZETCQYMHSA-N 201.291 2.116 0 40 BEAB CCCCC[C@H](O)/C=C/[C@@H](C)C(=O)OC 4825770 PKOPGYCMWCGUFR-OJLMFNQTSA-N 214.305 2.293 0 40 BEAB C=CC(=O)OCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 4975625 RSVDRWTUCMTKBV-RGDJUOJXSA-N 248.322 2.333 0 40 BEAB Cc1ccccc1CN(C)[C@H](C)C(=O)NC1CC1 7680787 BVSCDAABRIQHOT-GFCCVEGCSA-N 246.354 2.094 0 40 BEAB CCOC(=O)c1c[nH]nc1-c1ccccc1OC 8700039 OKLYJLYYIHGFEA-UHFFFAOYSA-N 246.266 2.262 0 40 BEAB CCCCSc1ncc(/C=C/C(=O)O)cn1 8730881 UDCYNJTZCHVYCQ-SNAWJCMRSA-N 238.312 2.467 0 40 BEAB N=C(N)CSc1nc2ccccc2s1 9477651 PGVSJHVLWLWMRK-UHFFFAOYSA-N 223.326 2.324 0 40 BEAB NCc1ccc(OCCN2CCCCC2)cc1 11801295 GHOAQOMCJULASQ-UHFFFAOYSA-N 234.343 2.010 0 40 BEAB O=C(O)c1cc(Cn2cc(Cl)cn2)cs1 12357629 WGFXMSKSEJEUQC-UHFFFAOYSA-N 242.687 2.345 0 40 BEAB Cc1nc(C)c2c(C)c(C=O)sc2n1 12505776 OKENMBBFFPMGDP-UHFFFAOYSA-N 206.270 2.429 0 40 BEAB in-vitro CC(C)C(=O)Nc1ccc2c(c1)OCCCO2 12847178 BGOOERDEFCXYJT-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB Cc1ccc(O)c(C(=O)NCC(C)C)c1 19837230 LQFVADKQUZBIRE-UHFFFAOYSA-N 207.273 2.086 0 40 BEAB in-vitro Cc1c(N)cccc1NC(=O)c1ccccn1 21957650 RKTVFAHFZJBDOH-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCN(CC)CCNCCn1c(C)ccc1C 22030322 AFNMSIDYXBQKJI-UHFFFAOYSA-N 237.391 2.036 0 40 BEAB Cc1ccc2sc(N3CCNCC3)nc2c1C 26422403 QSOATHAOBLBZEL-UHFFFAOYSA-N 247.367 2.323 0 40 BEAB Cc1nn(C)c(C)c1CNC(=O)C1CCCCC1 28305707 XEJORICZFLOJTE-UHFFFAOYSA-N 249.358 2.233 0 40 BEAB CC(C)CNC(=O)NCc1ccc(F)cc1 30985664 GVZVEHAVAJPXCI-UHFFFAOYSA-N 224.279 2.281 0 40 BEAB CCc1cccc(NC(=O)Cn2cccn2)c1 32492054 MKLLTQNZRQYEOV-UHFFFAOYSA-N 229.283 2.084 0 40 BEAB CC[C@H](C)N[C@H](C)c1nnc2ccccn12 36968966 IHBFLTPESZBDKW-VHSXEESVSA-N 218.304 2.178 0 40 BEAB in-vitro COC(=O)[C@@](C)(N)c1ccccc1C(F)(F)F 37514700 KUPGWMNVPSHOKW-JTQLQIEISA-N 247.216 2.052 0 40 BEAB biogenic COC(=O)c1oc2cccc(O)c2c1C 39075528 XVTZPHSRFNSKKV-UHFFFAOYSA-N 206.197 2.233 0 40 BEAB CCCO[C@@H](C)CN1C(=O)c2ccccc2C1=O 39404087 PBSKZHCWZAKSQT-JTQLQIEISA-N 247.294 2.098 0 40 BEAB Cc1csc(CNC(=O)c2ccc(C)o2)n1 40033907 LXFIQMOOSBORBE-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)C1CCC1 40074727 HQJUNOSNCCLKFY-VIFPVBQESA-N 207.273 2.127 0 40 BEAB c1nnc(SC[C@@H]2CCCCO2)n1C1CC1 40485830 OWJUPVGGZHFYGV-JTQLQIEISA-N 239.344 2.274 0 40 BEAB CCO[C@H](C)C(=O)N(C)Cc1ccsc1 40523523 WYFHTRGXZKQFEZ-SECBINFHSA-N 227.329 2.132 0 40 BEAB C[C@H]1C[C@H]1C(=O)OCc1nc2ccccc2[nH]1 42369220 RJLWBZXNVWPMOW-DTWKUNHWSA-N 230.267 2.262 0 40 BEAB COc1ccccc1[C@H](CN)OC(C)C 43099592 OTFBILKLUKSVON-LBPRGKRZSA-N 209.289 2.120 0 40 BEAB in-vitro C[C@@H]1CCCCN1CCNC(=O)C1CCCC1 46859221 RZLUZGURFULRDM-GFCCVEGCSA-N 238.375 2.167 0 40 BEAB Cc1nccc(NC[C@H](C)N2CCCCC2)n1 54935999 JVIIOCKHSAEFJE-NSHDSACASA-N 234.347 2.071 0 40 BEAB O=C(/C=C/c1ccccc1)N1CCSCC1 61960398 ZGNFZDOKUFBGBN-VOTSOKGWSA-N 233.336 2.275 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](N)C1CCCCC1 62152031 QDPJHDPETSIJBG-NSHDSACASA-N 242.363 2.419 0 40 BEAB in-vitro N[C@H](c1ccccc1F)C1CCOCC1 68957848 DGANXADFCBHYRG-LBPRGKRZSA-N 209.264 2.252 0 40 BEAB CC(C)=CCN1CCN(C(=O)C(C)(C)C)CC1 75636006 NKSLFWRLUITYMW-UHFFFAOYSA-N 238.375 2.143 0 40 BEAB CCOC(=O)CC(=O)C1CCCCCC1 83779878 OKHGAVLKMTZUMH-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB COc1ccc(C2([C@@H](C)O)CC2)cc1C 84383726 JHAAOKKBBXZOEV-SNVBAGLBSA-N 206.285 2.416 0 40 BEAB O=c1ccc(Br)cn1CC1CC1 85463826 LYJAMRBVRNCRMA-UHFFFAOYSA-N 228.089 2.021 0 40 BEAB in-vitro CN(Cc1cnc(N(C)C)s1)CC1CCC1 89326973 LRHGZJXBVSTXAV-UHFFFAOYSA-N 239.388 2.441 0 40 BEAB Cc1cnn(-c2cccc(N3CCCC3)n2)c1 95418159 ONGLXTSHPRMZTR-UHFFFAOYSA-N 228.299 2.176 0 40 BEAB CCOC(=O)CC(F)(F)C(F)(F)F 95705314 HFCVLBOZWYJMPT-UHFFFAOYSA-N 206.110 2.137 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1O 95942555 SYCPWHUVXAZZPW-ZJUUUORDSA-N 229.320 2.157 0 40 BEAB in-vitro CCn1cnc2c(Cl)nc(Cl)nc21 96311590 PRESUDAFHFFHLT-UHFFFAOYSA-N 217.059 2.153 0 40 BEAB in-vitro CO[C@@H](C)c1nc(N)cc(C2CCC2)n1 96529214 AMORKYPMSRMCFY-ZETCQYMHSA-N 207.277 2.034 0 40 BEAB OC[C@@H](NCCc1ccccc1)c1ccco1 97374521 YSTLNGSUMKAHLC-CYBMUJFWSA-N 231.295 2.145 0 40 BEAB O=C1NCC[C@H]1Cc1ccccc1Cl 157317252 WTVYNVOWKYKMNK-VIFPVBQESA-N 209.676 2.019 0 40 BEAB CCOC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 216815345 JFUPACLSKQOLDS-UYIBLKNYSA-N 237.343 2.093 0 40 BEAB Nc1nnc(COc2ccc(Cl)cc2F)o1 216909440 PNSDRDJKENIUNW-UHFFFAOYSA-N 243.625 2.023 0 40 BEAB O=C(O)[C@H]1C[C@@H]1Cc1ccc2c(c1)CCC2 217823329 QGVMFRKGYXFFEP-STQMWFEESA-N 216.280 2.439 0 40 BEAB COc1ccc(-c2nc(C)no2)cc1NC(C)=O 227153871 PBTPBPUXGGRDJS-UHFFFAOYSA-N 247.254 2.012 0 40 BEAB CC(C)(CN)N1CCCC[C@H]1c1cccnc1 242495593 GKKSBTARADZFRW-ZDUSSCGKSA-N 233.359 2.346 0 40 BEAB CN1[C@H]2CC[C@H](C[C@@H]3CCCCN3)[C@H]1CC2 242543512 KCZUADBBDADOPR-ZOBORPQBSA-N 222.376 2.391 0 40 BEAB Cc1nc([C@@H]2CCN(C)C2)c2sccn12 257327373 XBBYBNKRGXZTQM-SECBINFHSA-N 221.329 2.123 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H]2O)C1 306145907 VDXFMZNGCMQHJO-ZWNOBZJWSA-N 241.331 2.158 0 40 BEAB Cc1nn(CCC(=O)O)c(C(F)F)c1Cl 408715844 FQARWNDLXMJMFC-UHFFFAOYSA-N 238.621 2.257 0 40 BEAB CC(C)C[C@H](C(=O)O)N(C)Cc1cscn1 563279800 YYWDBQNQDSQHGV-SNVBAGLBSA-N 242.344 2.074 0 40 BEAB C[C@H](Oc1ccc2nccn2n1)C(F)(F)F 585651970 TWAWNTPWNDFOBF-LURJTMIESA-N 231.177 2.059 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]12CCC[C@@H](O)C2 606301400 ABXMAKMUBUVZOT-ZWNOBZJWSA-N 241.331 2.301 0 40 BEAB CC1(C)NC(=O)N(c2cscc2Cl)C1=O 634535714 ZAOXQNWKZRRISS-UHFFFAOYSA-N 244.703 2.236 0 40 BEAB C[C@H](NC(=O)SCc1ccccc1)C(=O)O 1677511 QRQAUDOFQQQIGA-QMMMGPOBSA-N 239.296 2.103 0 40 BEAB O=C(NCc1ccco1)c1ccc(Cl)nc1 2628257 YXLWMMZQKYJVPV-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB CC[C@H](C(=O)O)n1cnc2ccccc21 4992683 ZEWUJLZQFQTWHE-SECBINFHSA-N 204.229 2.072 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2N1Cc1ccccc1 5064104 MNPJKVXUZODWKO-RFQIPJPRSA-N 227.307 2.444 0 40 BEAB Nc1ccc(Nc2ccc(O)cc2)c(N)c1 5488238 CIQXPMPHJLYLOY-UHFFFAOYSA-N 215.256 2.300 0 40 BEAB O=C(Sc1ncccn1)c1ccccc1 5772883 RFGZRWQZNVPCTR-UHFFFAOYSA-N 216.265 2.409 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC[C@H](CO)O2 6031113 ZBJCYZPANVLBRK-VOAKCMCISA-N 228.332 2.183 0 40 BEAB in-man c1ccc(CCN[C@H]2CCSC2)cc1 6650860 XHGBEWFMBWGCAI-LBPRGKRZSA-N 207.342 2.324 0 40 BEAB CCc1ccc(-c2n[nH]c(SCCO)n2)cc1 10030068 XBOKWSNVZCINQE-UHFFFAOYSA-N 249.339 2.119 0 40 BEAB O=Cc1cc2cccc(C(F)(F)F)c2[nH]c1=O 11956162 MDYSVYVZJDZCTI-UHFFFAOYSA-N 241.168 2.359 0 40 BEAB S=c1[nH]nc(N2CCCCC2)n1C1CC1 12505168 QFXLWDJVSRBGCI-UHFFFAOYSA-N 224.333 2.266 0 40 BEAB in-vitro COC(=O)N[C@H](C)c1cc(OC)ccc1OC 13328831 UKVNCGPIGZWDEP-MRVPVSSYSA-N 239.271 2.121 0 40 BEAB c1ccc(OCC[C@H]2CCCNC2)cc1 14632359 CRLFSQXWWCULSO-GFCCVEGCSA-N 205.301 2.455 0 40 BEAB in-vitro CC(C)c1ccc(C(=O)NCCCC(=O)O)cc1 19412456 KYOFJYZVRXJUBU-UHFFFAOYSA-N 249.310 2.405 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2ccccc2N)C1 20155699 NWTNMVYWIPVCNY-TXEJJXNPSA-N 246.354 2.316 0 40 BEAB Cn1c2[n+](c3ccccc31)Cc1ccccc1-2 26919510 QRUXZVRZRORCPS-UHFFFAOYSA-N 221.283 2.495 0 40 BEAB Cc1cc(C)cc(NC(=O)[C@@H](C)n2cncn2)c1 27581197 APIBGVAZBXKCFW-LLVKDONJSA-N 244.298 2.095 0 40 BEAB OC[C@](O)(c1ccccc1)C1CCCC1 35904731 PZTPLIMWPOIMPS-ZDUSSCGKSA-N 206.285 2.057 0 40 BEAB in-vitro COCCn1c(Cl)nc2ccccc21 36459895 SBSTZPMTWVTDLE-UHFFFAOYSA-N 210.664 2.336 0 40 BEAB CC(=O)c1c[nH]c2c(C)cccc2c1=O 40176326 VWWUBMQHZZLGTF-UHFFFAOYSA-N 201.225 2.039 0 40 BEAB C[C@@H](C(=O)O)n1ccnc1-c1ccccc1 44353373 JQCIZZBJPBAXOQ-VIFPVBQESA-N 216.240 2.196 0 40 BEAB in-vitro CCCS(=O)(=O)Nc1cccc(C)c1C 45929256 CATUCLUILUNWIE-UHFFFAOYSA-N 227.329 2.455 0 40 BEAB Cc1cc(OCc2ccc(C(=O)O)o2)ccc1N 47474190 OQALZLZIPQEPJE-UHFFFAOYSA-N 247.250 2.447 0 40 BEAB CC(C)OCCCNC(=O)c1ccsc1 60781619 JONZJBWYXROLML-UHFFFAOYSA-N 227.329 2.293 0 40 BEAB CCOC(=O)c1nc(C)[nH]c1[C@@H]1C[C@H]1C 66339157 GQNIWBMKBWLDTC-HTRCEHHLSA-N 208.261 2.018 0 40 BEAB CCOC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 71908357 XMQRCXFGLOXKLJ-QMMMGPOBSA-N 248.282 2.500 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CC[C@H](c2cc[nH]n2)C1 72187625 ANRCWAUUNYCYJA-NEPJUHHUSA-N 245.326 2.082 0 40 BEAB CCN(C)c1ncccc1[C@H]1CCCN1C 72212762 AXRJDQCCIKNWOH-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1 72218752 IDLARQBNWVZAHE-LBPRGKRZSA-N 219.332 2.271 0 40 BEAB CCN(CC)c1cc(C)c([C@H](C)N)cn1 72223267 PGJHOBRSMYKLKB-JTQLQIEISA-N 207.321 2.256 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN1Cc1ccncc1 72357068 SRMWGQMRZATEQL-CYBMUJFWSA-N 242.326 2.450 0 40 BEAB c1ccc(C2CCN(c3cnccn3)CC2)nc1 72357089 DDSXDMIFDAPBMZ-UHFFFAOYSA-N 240.310 2.256 0 40 BEAB Fc1ccc(Cc2nc([C@H]3CCOC3)no2)cc1 75107962 YYKKLCAGTKEGBL-JTQLQIEISA-N 248.257 2.303 0 40 BEAB C[C@@](CO)(NCCCCCO)C1CCCCC1 77657044 KVVMPHFPZNPUFX-AWEZNQCLSA-N 243.391 2.070 0 40 BEAB CC[C@H](C)c1nc(C)c(CC(=O)O)c(C)n1 82562707 FWMMINMEUAPWNJ-ZETCQYMHSA-N 222.288 2.234 0 40 BEAB N[C@@]1(C(F)(F)F)CCOc2ccccc21 82670678 FHCGDLYJLFWABY-VIFPVBQESA-N 217.190 2.185 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)c1ncc(C=O)o1 83291893 ZMAWGHOQUYWPTD-ZETCQYMHSA-N 240.259 2.073 0 40 BEAB O=C(O)[C@@H]1CCC[C@@H]1NC1CCCCC1 83988123 DCLIKAUTNCNGEL-MNOVXSKESA-N 211.305 2.162 0 40 BEAB CC[C@@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C 84721274 GDODYPIUPOBQBO-GHMZBOCLSA-N 243.347 2.127 0 40 BEAB C[C@@H](C(=O)N1CCCC1)c1ccsc1 89913457 BSLBQXCZRUFYEQ-SECBINFHSA-N 209.314 2.474 0 40 BEAB CC(=O)Nc1ccc(N2CCCCC2)cn1 95350370 WXWRWIOAWNJWPA-UHFFFAOYSA-N 219.288 2.030 0 40 BEAB OCCCSC(F)(F)C(F)(F)F 95918279 SBNPYZDJZRFECZ-UHFFFAOYSA-N 210.167 2.257 0 40 BEAB Nc1c(C(=O)O)oc2ccc(Cl)cc12 95935291 KSTWXBNZJIGSBE-UHFFFAOYSA-N 211.604 2.367 0 40 BEAB CCc1ccc(CC)c(N[C@H]2CCN(C)C2=O)c1 96459086 UTGZGYJFXNEYBH-ZDUSSCGKSA-N 246.354 2.454 0 40 BEAB c1ccc2sc(N3CCCO3)nc2c1 97108361 NHKSVJHYMWYCCI-UHFFFAOYSA-N 206.270 2.438 0 40 BEAB C[C@]12C[C@]3(N)C[C@](C)(C1)C[C@](C(=O)O)(C2)C3 103514968 VGTIAGCVYBEACG-FNFFVJSTSA-N 223.316 2.149 0 40 BEAB Cc1cc(C(=O)O[C@H]2CCc3cccnc32)on1 195579204 ZZLDMCGQAIWDRI-JTQLQIEISA-N 244.250 2.222 0 40 BEAB NN[C@H](c1ccc(O)cc1)c1ccc(F)cc1 199534289 RLRNJRYNSPGEJR-ZDUSSCGKSA-N 232.258 2.084 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2CO)C1 217352002 RDIDHDVKSYRPDN-ZWNOBZJWSA-N 241.331 2.016 0 40 BEAB CCOC(=O)[C@H]1C[C@H]1c1ccc(C)nc1 217647061 BOHGDLNSPYNXGS-QWRGUYRKSA-N 205.257 2.057 0 40 BEAB O=C(O)[C@@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218699767 QWQBQWGNSFVVOM-ZJUUUORDSA-N 228.194 2.270 0 40 BEAB c1ccc(CN2CCN[C@H]3CCC[C@H]32)cc1 218842896 OMWCMAVXTQXEHA-UONOGXRCSA-N 216.328 2.013 0 40 BEAB CCCC[C@@H](C)C(=O)NCC[C@@H]1CCCO1 225725172 GCEISURFGCZGHV-NEPJUHHUSA-N 227.348 2.498 0 40 BEAB COC(=O)c1cc(Cl)c(OC)cc1F 238358752 URWAJTPHXVBOFY-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB CN1[C@H]2CC[C@H](C[C@H]3CCCNC3)[C@H]1CC2 242648921 RKQLJGHQRKPBDW-YIYPIFLZSA-N 222.376 2.249 0 40 BEAB CCC(CC)[C@H](O)[C@H]1CCCC[C@H]1O 248269013 PKYNNTVDTHYWOQ-TUAOUCFPSA-N 200.322 2.335 0 40 BEAB CCCn1cc(NCc2ccn(CC)n2)c(C)n1 256049955 CBPCEPJPBNGRTG-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB Cc1c[nH]c([C@H]2CCCN(C3CCOCC3)C2)n1 257207741 BJAJGLCQKUNPEY-LBPRGKRZSA-N 249.358 2.077 0 40 BEAB CC1(C)CCN(Cc2ccccc2)CC1=O 258904933 VICGCTSVFNLVCR-UHFFFAOYSA-N 217.312 2.488 0 40 BEAB CCOC(=O)c1cc(OC)c(F)cc1F 260058348 IPERKERYXJMSCJ-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB COC(=O)C12CC(C(=O)c3ccccc3)(C1)C2 575624126 JANHTPZPDXBEKQ-UHFFFAOYSA-N 230.263 2.213 0 40 BEAB CC(C)(C)c1cn(C[C@@H]2CCOC2)cn1 865375975 SWCYFLNTDQRCMM-JTQLQIEISA-N 208.305 2.217 0 40 BEAB Cc1cc(N2CCC(CF)CC2)n2nccc2n1 1888853288 QYMKBBLSYHGKNU-UHFFFAOYSA-N 248.305 2.224 0 40 BEAB Cc1cc(NC(=O)/C=C/c2ccco2)no1 342430 MCMFFPMAAUYXBB-SNAWJCMRSA-N 218.212 2.228 0 40 BEAB O=C(Nc1ncccc1Cl)c1ccncc1 483776 NUCAWOQOZPUOKE-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB C[C@H]1CCc2sc3ncnc(NN)c3c2C1 536166 VSNDFZKLFUBIQD-LURJTMIESA-N 234.328 2.102 0 40 BEAB OCCNCc1ccc(Cl)c(Cl)c1 1592720 VIYIYSBQARQLCC-UHFFFAOYSA-N 220.099 2.075 0 40 BEAB in-vitro COc1cc(NCCC(=O)O)c2ncccc2c1 1652049 OOAVDHSWYXYUIT-UHFFFAOYSA-N 246.266 2.130 0 40 BEAB in-vitro CC(C)CCN1C(=O)c2ccccc2C1=O 1695193 OXMDWHVDKVTUQL-UHFFFAOYSA-N 217.268 2.329 0 40 BEAB Brc1coc(C2OCCO2)c1 2509933 YCMUCDYHDNYGOS-UHFFFAOYSA-N 219.034 2.088 0 40 BEAB CC[C@H](C)NC(=O)c1cc2ccccc2oc1=O 3135977 RWKZGPRCOQDPKD-VIFPVBQESA-N 245.278 2.321 0 40 BEAB CCOC[C@@H]1COC2(CCCCC2)O1 4802524 PZOGINDITBDKEM-SNVBAGLBSA-N 200.278 2.099 0 40 BEAB CCCCNc1nn2cnnc2c2ccccc12 5712790 RRGYOKXUDUQMQH-UHFFFAOYSA-N 241.298 2.490 0 40 BEAB [O-][n+]1ccccc1Oc1ncnc2sccc12 8063578 BOCUVRDSGUQJPJ-UHFFFAOYSA-N 245.263 2.117 0 40 BEAB Cc1cc(NC(=O)C2CC2)sc1C(=O)O 9646661 BSQHGBMJAGEZRL-UHFFFAOYSA-N 225.269 2.103 0 40 BEAB in-vitro Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F 16046586 ADSMXQJAJCJUHI-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB C[C@@H](O)CN(C)C(=O)Nc1ccc(Cl)cc1 16576383 GDLRSDJVMUZYHI-MRVPVSSYSA-N 242.706 2.185 0 40 BEAB O=C(CNC1CCCCC1)NCc1ccccc1 20302855 QBOXMSSWPWEYDD-UHFFFAOYSA-N 246.354 2.225 0 40 BEAB CCOc1ccccc1O[C@H]1CCC[C@H]1N 22563259 OBVRFUXKSGFHQB-MNOVXSKESA-N 221.300 2.344 0 40 BEAB in-vitro C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 23039762 DRXKPGOFEWGNPE-KOLCDFICSA-N 247.294 2.442 0 40 BEAB CONC(=O)c1sc(-c2ccccc2)nc1C 24833574 GHWNODMNUAYHMN-UHFFFAOYSA-N 248.307 2.410 0 40 BEAB Cc1cccc(NC(=O)[C@H](C)n2cncn2)c1C 32760980 RTDUJAYKNPPHGW-NSHDSACASA-N 244.298 2.095 0 40 BEAB C=C(P(=O)(OC)OC)P(=O)(OC)OC 34120016 BRRCNRQMFCNJFJ-UHFFFAOYSA-N 244.120 2.429 0 40 BEAB Cc1cc(C)n(-c2ccc(CO)cc2F)n1 34956860 NMGDPIAUYJXZHX-UHFFFAOYSA-N 220.247 2.121 0 40 BEAB NNc1ccc(Cl)c(Br)c1 39316990 IZGXAWPNPDVOFB-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB CC[C@@H](NS(C)(=O)=O)c1cccc(Cl)c1 40523853 VEWSYCAVTMCBOH-SNVBAGLBSA-N 247.747 2.340 0 40 BEAB CCN(Cc1ccncc1)C[C@H]1CCCCN1 42516893 RFGXYCRSVWLKLU-CQSZACIVSA-N 233.359 2.046 0 40 BEAB C[C@H]1CNCCN1Cc1ccc(F)cc1Cl 54374216 NFRRRKMQJRIWNP-VIFPVBQESA-N 242.725 2.273 0 40 BEAB C=CC(=O)N[C@H]1CCCc2sccc21 61363980 PWYKHMNRRYCNBT-VIFPVBQESA-N 207.298 2.428 0 40 BEAB CC(=O)NCCc1nc(-c2ccccc2)oc1C 62093886 DGJQMFWANHDYBC-UHFFFAOYSA-N 244.294 2.329 0 40 BEAB CC(C)(CNc1nc2ccccc2s1)C(N)=O 71955509 INUYMTPSZSIXRV-UHFFFAOYSA-N 249.339 2.220 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cnc(N(C)C)cc1C 72218674 AOLUHJBEGLNLGT-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB CC(C)NCc1cc(-c2ccco2)n(C)n1 72226276 BZSFMLODLHJUEG-UHFFFAOYSA-N 219.288 2.178 0 40 BEAB Cc1noc(C)c1CN[C@H]1CCCSC1 75153015 WOBACIKNXYVYTD-JTQLQIEISA-N 226.345 2.277 0 40 BEAB COC(=O)CCC(=O)c1ccc(C)c(F)c1 82503415 KSAKHAKLFBUMHS-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB O=Cc1nc(-c2ccccc2Cl)no1 82583245 PKWBEDFODSDNJS-UHFFFAOYSA-N 208.604 2.203 0 40 BEAB C[C@H](Nc1ncccc1F)c1cnn(C)c1 84487645 ZIEWUFFAXUCSDT-QMMMGPOBSA-N 220.251 2.127 0 40 BEAB Nc1ccn2cc(-c3ccc(F)cc3)nc2n1 91691093 DAHLOBWNOWKEOX-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB NC1(c2ccc(C(F)(F)F)nc2)CC1 95094337 LDNFXTSHKMVBTK-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB Cc1ccc(CN2C[C@H]3COC[C@H]3C2)cc1 96054901 CNGRAOAKMAGIBK-OKILXGFUSA-N 217.312 2.073 0 40 BEAB O=C(CCC(F)(F)F)NC[C@@H]1CCCS1 96462150 MEKWVGAGNYBWFQ-ZETCQYMHSA-N 241.278 2.341 0 40 BEAB CCS(=O)(=O)/C=C/c1ccc(OC)cc1 96510050 ITCYGERKNMKGOJ-CMDGGOBGSA-N 226.297 2.101 0 40 BEAB CC(C)CS[C@@H](C)C(=O)NCC(F)(F)F 97173519 LBIMXZRYKVPQDE-ZETCQYMHSA-N 243.294 2.443 0 40 BEAB O=C(N1CCCC1)C1(c2cccc(F)c2)CC1 98010217 PYELQLXIFUEUFO-UHFFFAOYSA-N 233.286 2.480 0 40 BEAB Cc1noc(-c2nc(-c3ccsc3)no2)n1 98212328 PFXOWJFNJAFWPX-UHFFFAOYSA-N 234.240 2.157 0 40 BEAB C[C@@H]1[C@@H]2CC(=O)N(C)[C@]1(C)Oc1ccccc12 100214138 QAJBXYNHEPDHHV-OLUVUFQESA-N 231.295 2.377 0 40 BEAB C[C@H](c1ccccc1)N1C[C@@H]2CCNC[C@@H]21 114859199 NGNQCJGKLHCSKU-XBFCOCLRSA-N 216.328 2.041 0 40 BEAB Cc1nn(C)cc1NCc1cnn(CC(C)C)c1 189562897 RQFFEPVTVITZTE-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB COc1ccc(NC(=O)c2cnc(C)nc2)cc1 222589472 KTOWMVYBRHLYMP-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225720747 MRPOCWGPFGXDHC-SNVBAGLBSA-N 233.311 2.079 0 40 BEAB CCCCN1Cc2cccc(C(=O)O)c2C1=O 225769396 UYXMCQRPSGSHKH-UHFFFAOYSA-N 233.267 2.141 0 40 BEAB Cc1cc(=O)n(C(F)F)cc1Br 252487671 HZHMHLLDBNBMLR-UHFFFAOYSA-N 238.031 2.314 0 40 BEAB COc1cc(CNc2cc(C)nn2C)ccc1O 256050092 CQCFBORPFNTCPR-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB c1ccc(COc2cccn3ncnc23)cc1 888084577 AVAKYISEOBROEZ-UHFFFAOYSA-N 225.251 2.308 0 40 BEAB CNC(=O)COc1ccc(Cl)cc1Cl 555590 NAJAPLUJJSQNEP-UHFFFAOYSA-N 234.082 2.118 0 40 BEAB CNC(=O)CSc1cc(C)c2ccccc2n1 5392431 OVRLOUIQZZRHAJ-UHFFFAOYSA-N 246.335 2.381 0 40 BEAB C[C@@H]1C[C@H]2Oc3ccc(Cl)cc3C(=O)N2O1 5573063 OJGJQQNLRVNIKE-LHLIQPBNSA-N 239.658 2.225 0 40 BEAB in-man Cc1ccc(NC(=S)NC(C)C)nc1 7143548 VWZDFTXOLLVKQC-UHFFFAOYSA-N 209.318 2.085 0 40 BEAB O=C1C[C@H](c2ccccc2O)Cc2[nH]ncc21 8021417 IKVWLVAHRJOKTB-MRVPVSSYSA-N 228.251 2.028 0 40 BEAB NCc1ccccc1OCC(F)(F)F 12395438 HLHKSXNSXJYMNI-UHFFFAOYSA-N 205.179 2.086 0 40 BEAB in-vitro O=c1ccnc(SCCC(F)=C(F)F)[nH]1 13597463 IBWHQGGCJZFUKJ-UHFFFAOYSA-N 236.218 2.330 0 40 BEAB CCCNC(=S)Nc1ccc(Cl)cn1 13837961 HACXMJAMPVUMJU-UHFFFAOYSA-N 229.736 2.431 0 40 BEAB O=C(O)CCCCCCC/C=C/CO 14512621 BPHFVCJDRAVONJ-SOFGYWHQSA-N 200.278 2.350 0 40 BEAB biogenic,in-vitro Nc1ccc2nnc(-c3ccccc3F)n2c1 19753835 FXZIVKXTTNAMIG-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB COc1cc(CNCC(C)C)ccc1O 19882924 MFTNQIVXXZTVNY-UHFFFAOYSA-N 209.289 2.146 0 40 BEAB CO[C@H](C(=O)NCc1ccco1)c1ccccc1 20238655 LJMVBDWXOGEBKP-ZDUSSCGKSA-N 245.278 2.284 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C 21938376 IIEYIRRJWJSYKQ-BXUZGUMPSA-N 246.354 2.020 0 40 BEAB Cc1noc(C)c1CCC(=O)Nc1cccnc1 23136211 DWZWFPSTUDTQKU-UHFFFAOYSA-N 245.282 2.258 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)n1ccnc1 32628621 GZPOELWUWAUAJL-ZJUUUORDSA-N 207.277 2.020 0 40 BEAB NC(=O)COc1ccc2oc3c(c2c1)CCCC3 32958156 OCHAHNHPYNESHB-UHFFFAOYSA-N 245.278 2.176 0 40 BEAB O=C(O)c1cc(-c2c(F)cccc2F)no1 34972856 KFNLXJCGJPSLIF-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB in-vitro COc1ccc(CNc2ccn(C)n2)cc1 37471737 JBCQHQVTSIOTFC-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB COc1ccc(CNCC(F)F)cc1 37755732 IMKIZPDGBFALQR-UHFFFAOYSA-N 201.216 2.050 0 40 BEAB COc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)(F)F)O2 43464918 JFPBLFLXPAOFAF-WPRPVWTQSA-N 248.200 2.442 0 40 BEAB COc1ccc(COC[C@@H]2CCCCN2)cc1 43494950 PRWTUNXDWSSXSI-ZDUSSCGKSA-N 235.327 2.354 0 40 BEAB C[C@@H]1COCCN1C(=O)CCCc1ccccc1 46746320 BUOPTXUETUFDKI-CYBMUJFWSA-N 247.338 2.257 0 40 BEAB O=C1Nc2cc(Cl)ccc2C1=C1CCNCC1 47844218 YTDSWTKFSUCAEU-UHFFFAOYSA-N 248.713 2.429 0 40 BEAB N[C@]1(C(=O)O)C[C@@H]1c1ccc(Cl)cc1Cl 62712943 VINHNAHFYVPZRL-GMSGAONNSA-N 246.093 2.263 0 40 BEAB OC[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 62720295 MABXRCHMDRJYEJ-WCBMZHEXSA-N 214.211 2.384 0 40 BEAB CCOC(=O)[C@H](C)NC(=O)C[C@H](C)CC(C)C 67910641 VRFPFDNXSDOUIR-MNOVXSKESA-N 243.347 2.127 0 40 BEAB CCN(CC)c1ncccc1[C@H]1CCCN1C=O 72212884 DXXJNYCQDOVBPI-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB Cc1nc([C@@H]2CCCO2)sc1C(=O)O 83347420 QMUSLNJQXVIBGC-LURJTMIESA-N 213.258 2.001 0 40 BEAB in-vitro CC(C)[C@H](N)CN(C)CCc1ccccc1 83852840 GDFRWCWKZQLZAW-CQSZACIVSA-N 220.360 2.144 0 40 BEAB Cc1nc(Cl)cc(N[C@@](C)(CO)C2CC2)n1 84271813 VJBNWQICLQXBIB-NSHDSACASA-N 241.722 2.011 0 40 BEAB CC1(C)Oc2c(Cl)cccc2NC1=O 84773071 DDMTZTUJAUSWFP-UHFFFAOYSA-N 211.648 2.450 0 40 BEAB CC1CCN(C(=O)OCC(F)(F)F)CC1 87304538 WKTUXIUAIYFCKA-UHFFFAOYSA-N 225.210 2.417 0 40 BEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)C1CC1 87410945 DOGOLEPVQLOIPQ-CJNGLKHVSA-N 241.334 2.417 0 40 BEAB O=Cc1cc(Br)cc(C=O)c1F 90413824 ACDMPZDINUTNGD-UHFFFAOYSA-N 231.020 2.213 0 40 BEAB CCCCCNC(=O)NC[C@H]1CCO[C@H](C)C1 95457441 LTQQKJNFFYXPSP-NEPJUHHUSA-N 242.363 2.291 0 40 BEAB CCCOCCOC(=O)[C@H](CC)N(CC)CC 95943895 UDHRTZNKWAMXBV-LBPRGKRZSA-N 245.363 2.077 0 40 BEAB C[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 96026221 CJGCFSACALSTJS-WCQYABFASA-N 233.311 2.085 0 40 BEAB COCCCCC(=O)Nc1cc(C)ns1 96449161 JJCXIOMVXZXTOY-UHFFFAOYSA-N 228.317 2.207 0 40 BEAB Cc1ccc(C2CC(=O)CC(=O)C2)s1 100783219 JYTHSEDFCHJXEK-UHFFFAOYSA-N 208.282 2.462 0 40 BEAB COC(=O)[C@H]1CCc2c1c1ccccc1n2C 217910344 FZYLSYAWGGVNCU-JTQLQIEISA-N 229.279 2.381 0 40 BEAB Fc1ccccc1N1CCN[C@@H]2CCC[C@H]21 218845394 GLTPNMWLBDHGSZ-DGCLKSJQSA-N 220.291 2.156 0 40 BEAB CN1C(=O)CC[C@]12CCCc1ccccc12 220211844 KKYLOLUXEYGOON-AWEZNQCLSA-N 215.296 2.470 0 40 BEAB CCc1ccccc1N(C)[C@@H](C)C(=O)O 224984699 BXFCZOYCHUEESS-VIFPVBQESA-N 207.273 2.158 0 40 BEAB NC[C@@H](C[C@H](N)c1ccccc1)C(F)(F)F 256051008 HIWLTYLVNHJCAY-ZJUUUORDSA-N 232.249 2.214 0 40 BEAB CC(=O)OCC(=O)c1ccc(Cl)cc1F 308826953 RSERAUNVHJISDG-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB CC(C)c1ccc(C(=O)CC[C@@H](N)C(=O)O)cc1 575410802 JNYKJHGKCWPMJU-GFCCVEGCSA-N 249.310 2.185 0 40 BEAB CC(C)n1ncc2c1C[C@@H](C(N)=S)CCC2 575425606 UGDMXPMVBOOXJG-VIFPVBQESA-N 237.372 2.245 0 40 BEAB FC(F)(F)c1cc([C@@H]2CCCO2)[nH]n1 1740818982 LAFNUGIZXYGZNS-LURJTMIESA-N 206.167 2.280 0 40 BEAB CCOC(=O)Nc1nnc(C(C)(C)C)s1 51382 XRSSNIOZIONYCL-UHFFFAOYSA-N 229.305 2.404 0 40 BEAB COc1ccc(CC(=O)OC(C)C)cc1 1615223 MIKVYRWSUUCYNM-UHFFFAOYSA-N 208.257 2.189 0 40 BEAB CC1=N/C(=C/c2ccc(F)cc2)C(=O)O1 1624767 CJDRPIOMZCOCEB-UXBLZVDNSA-N 205.188 2.142 0 40 BEAB in-vitro CCC[C@@]1(C)OC[C@@H](CCCCO)O1 1671366 BULLPQFXXZMYPP-MNOVXSKESA-N 202.294 2.081 0 40 BEAB Oc1c[n+](Cc2ccc(Cl)cc2Cl)no1 1684521 ITKGQHSDJKLKST-UHFFFAOYSA-O 246.073 2.023 0 40 BEAB CCCCC[C@@](CC)(SCC(N)=O)C(=O)O 2035526 HTPOHJSDVTVWGW-LLVKDONJSA-N 247.360 2.019 0 40 BEAB CC(=O)OC[C@@H]1CO[C@H](/C=C\c2ccccc2)O1 4537834 DKIWWNQKPRLOOH-BYTACQFHSA-N 248.278 2.004 0 40 BEAB CC1CCN(CCOc2ccccc2N)CC1 4938429 AAYQXWBMTDLAHL-UHFFFAOYSA-N 234.343 2.380 0 40 BEAB O=C(O)CCCc1nnc(-c2ccccc2)o1 5685232 WKTZMTARAUCRSD-UHFFFAOYSA-N 232.239 2.144 0 40 BEAB O=C(NCc1ccccc1)[C@@H]1CC1(Cl)Cl 6337380 WIGZYRPMGXHTDC-VIFPVBQESA-N 244.121 2.497 0 40 BEAB COc1cccc(-c2cn3ncsc3n2)c1 8606678 NJOSPECONBCVQP-UHFFFAOYSA-N 231.280 2.466 0 40 BEAB C[C@H]1C[C@@H](C)C(=O)N(c2ccccc2)C1=O 12408744 MOBMIENCLDTUDW-AOOOYVTPSA-N 217.268 2.222 0 40 BEAB Nc1cc(Cl)ccc1OC[C@H]1CCCO1 14629343 MTGVVZQHFZESMO-SECBINFHSA-N 227.691 2.480 0 40 BEAB in-vitro O=C([C@@H]1CCCCN1)N1CCCc2ccccc21 19411022 VIPCHYPGWYYYJM-ZDUSSCGKSA-N 244.338 2.108 0 40 BEAB CC(C)NC(=O)c1ccc2nc(N)sc2c1 20154883 AUCKEARSSQLTLJ-UHFFFAOYSA-N 235.312 2.017 0 40 BEAB C[C@@H]1CCCCN1CC[C@@H]1CCCCN1 20180470 MFXXXBLYRBZJGN-OLZOCXBDSA-N 210.365 2.393 0 40 BEAB CCC[C@H](C)NC(=O)c1n[nH]c2ccccc12 22623816 HWVJNRFPINPLSN-VIFPVBQESA-N 231.299 2.481 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 32903800 UFTXJUZJSOMUAQ-UWVGGRQHSA-N 249.358 2.155 0 40 BEAB CCC[C@H](N)CN(C)Cc1ccccc1 36873530 SCUBACUEIDDAIL-ZDUSSCGKSA-N 206.333 2.246 0 40 BEAB CCO[C@H](C)C(=O)N1CCC[C@H](CC)C1 40534002 KQPNHULJUJXFBJ-MNOVXSKESA-N 213.321 2.060 0 40 BEAB c1ccc2c(N3CCSCC3)cnnc2c1 41122905 JMKOLYRIALFGFY-UHFFFAOYSA-N 231.324 2.183 0 40 BEAB C1CCC(NCCN2CCCCC2)CC1 41225111 DENYUEYTPIANDQ-UHFFFAOYSA-N 210.365 2.395 0 40 BEAB CCOc1cc(CO)cc(Br)c1O 44198438 MQRSZLOEIZPVFR-UHFFFAOYSA-N 247.088 2.046 0 40 BEAB COCCN(Cc1ccco1)C(=O)C=C(C)C 45485718 KNUQFFUKSUDFKS-UHFFFAOYSA-N 237.299 2.221 0 40 BEAB CC[C@@H](C)NC(=O)Nc1cccnc1OC 48290668 ANGMRNWYYUAEDL-MRVPVSSYSA-N 223.276 2.010 0 40 BEAB O=C(O)c1cc2c(nc1Cl)CCCC2 49815058 JUAXTTJHJSYZQI-UHFFFAOYSA-N 211.648 2.312 0 40 BEAB CC(C)Oc1ccc([C@@H]2CNCCN2C)cc1 71545103 FFXFMEJLEWIEDE-AWEZNQCLSA-N 234.343 2.050 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 72406706 CHBQGFRKOKEJCF-BDAKNGLRSA-N 229.201 2.294 0 40 BEAB C[C@@H](C(=O)NCCn1cccc1)c1cccs1 75093081 XTOGTLWIMWDOAO-LLVKDONJSA-N 248.351 2.470 0 40 BEAB CC1(C)Cc2cccc(CC(=O)O)c2O1 82931900 PDJXRCUAYXSWDC-UHFFFAOYSA-N 206.241 2.027 0 40 BEAB Nc1cnc(-c2ccc(Cl)s2)cn1 87337004 ZTEYYQIVSPTZNF-UHFFFAOYSA-N 211.677 2.441 0 40 BEAB CCN1CCCN(C(=O)Nc2ccccc2)CC1 89977252 LXKIACCCQXWFGL-UHFFFAOYSA-N 247.342 2.246 0 40 BEAB CSc1cc(F)c(C(=O)O)cc1F 90556916 TYBODNNAYBREIC-UHFFFAOYSA-N 204.197 2.385 0 40 BEAB Cc1ccccc1C(=O)OCCn1ccnc1 95448038 VAXCONOXANBIHT-UHFFFAOYSA-N 230.267 2.049 0 40 BEAB Fc1cc(Cl)ccc1OCC1OCCO1 95734174 FNYCQXTWXYWTOH-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB Cc1ncc(Br)c(N)c1Cl 95949852 ZEXBDOFCHQZRHZ-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB O=C(OCc1cncs1)c1ccncc1F 97101402 GOJKFVWEYKGFSR-UHFFFAOYSA-N 238.243 2.034 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@H](C2)C1 100084545 KJQIEALHEWUCMM-UWVGGRQHSA-N 239.315 2.223 0 40 BEAB Cc1ccc(C(=O)CC(=O)C(F)F)s1 100497158 MBFKKHKKGSENDK-UHFFFAOYSA-N 218.224 2.464 0 40 BEAB Cn1c(S)nnc1-c1c(F)cccc1F 116924017 XCOBFJCCLMBRTN-UHFFFAOYSA-N 227.239 2.049 0 40 BEAB Cc1ccc(C)c(OCc2ncc(C=O)cn2)c1 217376804 AYKCHJKKHHYCQT-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB O=C(c1ccnc(Br)c1)C1CC1 242687879 UYYRHJLLDUOBBX-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB CC[C@@H]1C[C@H]1C(=O)N(C)c1ccnc(C)c1 334524155 CUMQTEDIGISJQW-ZYHUDNBSSA-N 218.300 2.399 0 40 BEAB CC(C)C(=O)c1c[nH]c2ccccc2c1=O 685937695 OVTOGBXNLGBSFF-UHFFFAOYSA-N 215.252 2.367 0 40 BEAB CCc1c(C)[nH]c2cc(O)ccc2c1=O 685938391 LEBPICXLGQUQMB-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB C[C@@H](n1ncc2cccnc2c1=O)C(C)(C)C 899355902 DPNLWBGISIQNNA-SECBINFHSA-N 231.299 2.399 0 40 BEAB CC(C)OC(=O)OCCOCC(F)(F)F 1083809086 BMXCEJHSAJODKH-UHFFFAOYSA-N 230.182 2.127 0 40 BEAB CC(C)[C@H]1COC(Cc2ccccn2)=N1 1988182135 VXTSYGYSDWKLDH-LLVKDONJSA-N 204.273 2.077 0 40 BEAB Cc1ccccc1OCC(=O)Nc1ccccn1 341692 QKMJDVFLMNRAPL-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)C1CC1 419832 NJIPGDYKLBDXJX-SECBINFHSA-N 201.269 2.374 0 40 BEAB CC(C)CCOC(=O)[C@H]1CCCC[C@@H]1O 506681 NEGXKXUAVASAAB-QWRGUYRKSA-N 214.305 2.127 0 40 BEAB CCC(C)(C)C(=O)Nc1nnc(COC)s1 792732 CNCDBEGWHYUQJL-UHFFFAOYSA-N 243.332 2.059 0 40 BEAB COC(=O)[C@H]1CC(C)(C)[C@H]1CCC(C)=O 1718197 NVBQKDWBPLOTBN-UWVGGRQHSA-N 212.289 2.191 0 40 BEAB Cc1[nH]c2ccccc2c1CCC(=O)O 2565049 MVCHNOBEGHXCDV-UHFFFAOYSA-N 203.241 2.494 0 40 BEAB Nc1nc(-c2ccc3ccccc3c2)n[nH]1 3723275 OIRAFYCODYLUIQ-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB Cc1cc(Cl)ccc1NS(C)(=O)=O 5680160 BGVJXGUCBDDSIM-UHFFFAOYSA-N 219.693 2.020 0 40 BEAB S=c1[nH]ncn1NC/C=C/c1ccccc1 6889625 JVXHZIHPLFXMDQ-QPJJXVBHSA-N 232.312 2.198 0 40 BEAB CCCCn1ncc2ccccc2c1=O 12983286 MTUKAPXTYKQEFS-UHFFFAOYSA-N 202.257 2.197 0 40 BEAB COc1ccccc1CCNC(=O)c1ccco1 14603580 XQRQGNUYJXOPBV-UHFFFAOYSA-N 245.278 2.261 0 40 BEAB Cc1cccc2cc3c(nc12)OCCNC3 19236734 WYBAENMNNFNRMD-UHFFFAOYSA-N 214.268 2.025 0 40 BEAB CCCN(CCC)C(=O)c1ccc(CN)cc1 21951365 ZVYHOUFVXSGDFR-UHFFFAOYSA-N 234.343 2.408 0 40 BEAB COCc1nc(Cl)n(-c2ccc(C)cc2)n1 22125220 ZNCYLVVRKBANGE-UHFFFAOYSA-N 237.690 2.376 0 40 BEAB O=C(NCc1ccc(F)cc1)NCC1CC1 25683285 WVAALGOTSQFGHI-UHFFFAOYSA-N 222.263 2.035 0 40 BEAB O=C(CCC1CCCC1)NCCCn1cccn1 27928383 JWHUJUMCGVPHGG-UHFFFAOYSA-N 249.358 2.360 0 40 BEAB Nc1ccc(OC(F)F)cc1OC(F)F 32627846 CESXYKBLHGWWGZ-UHFFFAOYSA-N 225.141 2.472 0 40 BEAB in-vitro Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)n1 32909725 WRIDRECWQBRKKC-SNVBAGLBSA-N 218.300 2.261 0 40 BEAB O=C(O)[C@@]1(C(F)(F)F)C[C@H]2C=C[C@@H]1C2 34370071 IVQQRSCSISNRNA-SHYZEUOFSA-N 206.163 2.216 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1nc2ccccc2o1 34926284 ZZTHDEKCVGNAJD-NKWVEPMBSA-N 203.197 2.016 0 40 BEAB Cc1ccsc1CNC(=O)c1cccn1C 36398217 XBEANMAYLGPLLO-UHFFFAOYSA-N 234.324 2.325 0 40 BEAB CO[C@]1(C(F)(F)F)NC=Nc2ccnc(C)c21 36559033 OBXRHJTWGBUXCU-SECBINFHSA-N 245.204 2.015 0 40 BEAB Nc1cc(Cl)ccc1N1CCC(CO)CC1 36720948 RKBDEYDDNCNVHV-UHFFFAOYSA-N 240.734 2.131 0 40 BEAB in-vitro O=c1oc2ccccc2n1Cc1ccccn1 39281709 NWWSWSLCSHBTOU-UHFFFAOYSA-N 226.235 2.038 0 40 BEAB C[C@H](C(=O)N(C)C1CCCCC1)n1cccn1 40060206 IRMBOXCNAORRMH-LLVKDONJSA-N 235.331 2.235 0 40 BEAB CC(=O)NCCOc1cc(C)ccc1Cl 40545116 YQRUCYKZXIZHTR-UHFFFAOYSA-N 227.691 2.163 0 40 BEAB COc1ccc(CCCO)cc1Br 44396247 ANVIDQUKPNLNIR-UHFFFAOYSA-N 245.116 2.383 0 40 BEAB CCS(=O)(=O)N[C@@H](C)c1ccccc1Cl 48903094 BYEIPNBBXXIZCB-QMMMGPOBSA-N 247.747 2.340 0 40 BEAB CC(C)c1cc(NC(=O)c2ccco2)[nH]n1 49044583 MAIJMSMUVMAYTN-UHFFFAOYSA-N 219.244 2.378 0 40 BEAB Cc1ccc(-c2n[nH]c(=O)cc2C)cc1 54930855 BJIXKMNCDJGJKG-UHFFFAOYSA-N 200.241 2.054 0 40 BEAB in-vitro C[C@H](CCc1ccco1)NC(=O)N1CCCC1 58692805 VDOAMEUGEABSSQ-LLVKDONJSA-N 236.315 2.406 0 40 BEAB NC[C@@]1(CO)C[C@@H]1c1ccc(Cl)cc1Cl 62713463 RGVYVANDZZIXKK-MWLCHTKSSA-N 246.137 2.418 0 40 BEAB CC[C@@H](C(=O)O)N1CCCc2ccccc2C1 62944874 ZOYJSWDLPONMSC-ZDUSSCGKSA-N 233.311 2.298 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc[nH]c1=S 72217055 RKQCLCNOEIFXIB-JTQLQIEISA-N 222.313 2.428 0 40 BEAB COc1cc(F)ccc1N(C)CCCCCO 75143812 VACXACFNUWABQE-UHFFFAOYSA-N 241.306 2.433 0 40 BEAB N[C@@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 79776782 HKGDSXMMICYYRW-SECBINFHSA-N 249.264 2.102 0 40 BEAB O=C(O)c1cc2ccc(Br)cn2c1 82328051 NJTWQSPKHQNJPH-UHFFFAOYSA-N 240.056 2.400 0 40 BEAB in-vitro COC(=O)[C@@H]1O[C@]12C[C@@H](C)CC(C)(C)C2 84324277 XTLCHVQRGWXTST-AUTRQRHGSA-N 212.289 2.143 0 40 BEAB C[C@H](Cc1ccoc1)NC(=O)C(C)(C)C 84827291 NLNAPPPLXBDJQE-SECBINFHSA-N 209.289 2.373 0 40 BEAB CC(C)c1nsc(SCCN(C)C)n1 92675616 MKSARJSXYCHQSJ-UHFFFAOYSA-N 231.390 2.315 0 40 BEAB COCCc1nsc(N2[C@H](C)CC[C@H]2C)n1 95449438 KVSSDKWSLXQMAG-RKDXNWHRSA-N 241.360 2.104 0 40 BEAB Cc1cc(C(=O)/C=C\C(=O)O)ccc1Cl 95727031 UOHFSIRAASNAIZ-PLNGDYQASA-N 224.643 2.472 0 40 BEAB COc1cccc2c(OCCCO)cc(C)nc12 95940428 BTAKVAVBWVMNNQ-UHFFFAOYSA-N 247.294 2.313 0 40 BEAB COc1cccc(CN2CC[C@@]3(CCCO3)C2)c1 96051027 URFXVJJRVFWPJS-HNNXBMFYSA-N 247.338 2.450 0 40 BEAB CO[C@@H](CNC(=O)C1CC1)c1ccccc1C 96104899 ZEAMAQXMGFBWEM-ZDUSSCGKSA-N 233.311 2.209 0 40 BEAB CN1CCN(Cc2ccoc2)Cc2cccnc21 96198779 GQYVHDFSEJXAOB-UHFFFAOYSA-N 243.310 2.127 0 40 BEAB COc1cc2[nH]c(C=O)cc2c(OC)c1OC 96509771 PTGOAMCJSQZQBO-UHFFFAOYSA-N 235.239 2.006 0 40 BEAB Cc1ncccc1OCC(=O)N1CCCCCC1 97082595 NXEUOPMMWWHFKO-UHFFFAOYSA-N 248.326 2.171 0 40 BEAB Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)o1 195573469 NCNYSLJOXAYNIJ-CYBMUJFWSA-N 245.326 2.449 0 40 BEAB CCNC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1 217526884 BHTAVLZTAFSIHV-KGLIPLIRSA-N 246.354 2.048 0 40 BEAB C[C@H]1CCCCN1c1ncccc1C=O 217732533 MXGHNGSTEPYBOZ-JTQLQIEISA-N 204.273 2.273 0 40 BEAB Cc1nc(OC2CCCC2)c(C(=O)O)s1 218268163 ZNRRBDGWEFHZJI-UHFFFAOYSA-N 227.285 2.471 0 40 BEAB Cc1ccc(CNCc2ccco2)n1C 226018949 OGYKCNVUQFLMFW-UHFFFAOYSA-N 204.273 2.216 0 40 BEAB CC(C)CNCc1cc(C(F)(F)F)n(C)n1 256054624 XBSITFGCLHMLBO-UHFFFAOYSA-N 235.253 2.185 0 40 BEAB COC(=O)c1cn(C(C)C)nc1Br 260743274 LCZAHFVHKVTJHK-UHFFFAOYSA-N 247.092 2.013 0 40 BEAB COc1ccc2c(c1)[C@@H]1ON=C[C@@H]1CC2 408721918 BIJUKCPADWBNRC-JOYOIKCWSA-N 203.241 2.315 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cc(F)cc(F)c1 575358420 UBTCQULDBOJWHD-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB Cc1nccc(O[C@H]2CCCC[C@H]2N(C)C)n1 585652118 KTZYWCIDGCUGCO-NEPJUHHUSA-N 235.331 2.037 0 40 BEAB c1ccc(-c2ccc(C3CNC3)nc2)cc1 1857794101 MQYOTDOCHIBYHW-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB CC(=O)SC(SC(C)=O)SC(C)=O 1625342 SRUXVGKEZVXLRV-UHFFFAOYSA-N 238.355 2.109 0 40 BEAB O=C(CNc1ccccc1)NCc1ccccc1 1706607 ZEXRPDVUJZOTHK-UHFFFAOYSA-N 240.306 2.415 0 40 BEAB C=CC(=O)NCCc1c[nH]c2ccc(C)cc12 2433421 QZWZROFZMJRVGQ-UHFFFAOYSA-N 228.295 2.321 0 40 BEAB O=S(=O)(NC1CCCC1)c1ccc(F)cc1 2742318 ZLEZVYSQPYZISR-UHFFFAOYSA-N 243.303 2.047 0 40 BEAB O=C1C[C@@H](c2cccs2)Sc2nncn21 3187086 SFCFDLXNJHUBNZ-ZETCQYMHSA-N 237.309 2.217 0 40 BEAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)O 3269712 CEWWDXIXQSJKBJ-LBPRGKRZSA-N 249.310 2.224 0 40 BEAB in-vitro CCc1ccc(CN2CCC[C@H]2C(=O)O)cc1 3747894 PPSPYSDGPOYGED-ZDUSSCGKSA-N 233.311 2.298 0 40 BEAB COc1cccc2cc(C(=O)O)c(C)nc12 4384259 XQMQBKZYQYQCPL-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB CC(=O)c1cccc(Nc2cc(C)nc(N)n2)c1 5160171 ADTBYKSPVPWUCT-UHFFFAOYSA-N 242.282 2.313 0 40 BEAB O=CC(=O)c1ccccc1C(F)(F)F 5240965 HBOSPPHIPGYHDI-UHFFFAOYSA-N 202.131 2.087 0 40 BEAB in-vitro CCc1ccc(NC2=NC(=O)CS2)cc1 6134911 JKRDDHFKLXVHGF-UHFFFAOYSA-N 220.297 2.290 0 40 BEAB C[C@H]1CCCCN1Cc1ccc(C(=O)O)o1 11864418 XTYBWMHGFSKJEL-VIFPVBQESA-N 223.272 2.352 0 40 BEAB O=C(O)CC/C=C/CCCCC(=O)O 13433851 CXGDCGIPEJKSCK-HNQUOIGGSA-N 200.234 2.052 0 40 BEAB Cc1ccc(OC[C@@H]2CCCO2)c(N)c1 14629573 OAHGPUWZFLWSIK-JTQLQIEISA-N 207.273 2.135 0 40 BEAB in-vitro COc1ccc(CCNCC(C)C)cc1 19907331 PIHLOLAIYDHLDO-UHFFFAOYSA-N 207.317 2.483 0 40 BEAB CC[C@H](C)n1ncc(Br)c1C(=O)O 20313843 RWRDPCXJERHWDR-YFKPBYRVSA-N 247.092 2.315 0 40 BEAB COc1ccc(NC(=O)C(C)(C)C)cc1N 20343013 YFXYUVHMZFJQAI-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB N#CNC(=N)Nc1cc(Cl)ccc1Cl 20458312 ONDAEJZGSYXDQX-UHFFFAOYSA-N 229.070 2.411 0 40 BEAB CCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 20535831 BJWIPXZIOUTPMH-UHFFFAOYSA-N 247.298 2.319 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCCCCC2)n1 27969199 OKWPYRFREGALRR-UHFFFAOYSA-N 249.358 2.293 0 40 BEAB NC(=O)c1cccc(CN2CCCCCC2)c1 32827778 NOOUVCYSRFXAMI-UHFFFAOYSA-N 232.327 2.162 0 40 BEAB Brc1ccnc(O[C@H]2CCOC2)c1 44118499 MLHDTCLHTVTXCI-QMMMGPOBSA-N 244.088 2.012 0 40 BEAB in-vitro Cc1cc(C)cc(C(=O)N2CCC(CN)CC2)c1 44512667 RTFHOWPDMCDAFO-UHFFFAOYSA-N 246.354 2.114 0 40 BEAB CC[C@H](C)NC(=O)CCc1c(C)noc1C 44715672 GRRVHROCOFTYOJ-QMMMGPOBSA-N 224.304 2.139 0 40 BEAB CC(=O)Nc1cc(NC(=O)C2CC2)ccc1F 44906905 DGJPKJDFKLBOTR-UHFFFAOYSA-N 236.246 2.133 0 40 BEAB Cc1c([C@@H](C)NC(=O)CCC(C)C)cnn1C 47492074 UPOCFTNBFDOIAR-SNVBAGLBSA-N 237.347 2.342 0 40 BEAB O=C(Nc1ccccc1)N[C@H]1CCCC[C@H]1O 52003264 AUDCZNMODKREEO-NWDGAFQWSA-N 234.299 2.112 0 40 BEAB CCOC(=O)[C@@H](C)Nc1cc(F)c(F)c(F)c1 61096643 GOENYNHPRWNTSY-ZCFIWIBFSA-N 247.216 2.467 0 40 BEAB COc1ccc(Cl)cc1CN(C)C(C)=O 65591343 DGMOGGZOEKMKIM-UHFFFAOYSA-N 227.691 2.327 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCCc2ncccc21 69514797 OLAMLSJLYGEJSG-NXEZZACHSA-N 216.284 2.017 0 40 BEAB CN(Cc1nccn1C)c1ccccc1 70922133 HCWGGGQEWXDXBC-UHFFFAOYSA-N 201.273 2.057 0 40 BEAB CCCCN1CCC[C@H]1c1cnn(C)c1 71797152 OCGSLDQZAQWENZ-LBPRGKRZSA-N 207.321 2.357 0 40 BEAB Cc1nc(N)ccc1C(=O)c1ccccc1 72224121 WSEBMKIGCOCUFW-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB Cc1nnc(CN2CCC(C(F)(F)F)CC2)o1 75969374 BCZWQDYSNFCSGM-UHFFFAOYSA-N 249.236 2.152 0 40 BEAB Cc1ncc(C(=O)O)c(Cl)c1Cl 79046821 CUAQUWGBUMCHMH-UHFFFAOYSA-N 206.028 2.395 0 40 BEAB in-vitro Nc1c(NC2CC2)ccnc1Br 80441361 DVWNLYDZKLLTOH-UHFFFAOYSA-N 228.093 2.001 0 40 BEAB O=C(O)CCc1ccc(C(F)(F)F)o1 83287550 JCEOALQPUWFXQN-UHFFFAOYSA-N 208.135 2.316 0 40 BEAB COc1ccc2oc(=O)c3c(c2c1)CCC3 85221045 OMIQXCHFEPQCDA-UHFFFAOYSA-N 216.236 2.290 0 40 BEAB CC(C)(O)CSCCNC[C@H]1CC=CCC1 95434026 HDTJSYAYFMTGSB-LBPRGKRZSA-N 243.416 2.436 0 40 BEAB CCCCCNC(=O)NC[C@@H]1CCO[C@@H](C)C1 95457442 LTQQKJNFFYXPSP-NWDGAFQWSA-N 242.363 2.291 0 40 BEAB COC(=O)c1cc(C(F)(F)F)c2[nH]ncc2c1 95803921 GTMRDKCXGHWYDB-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB COc1ccc(N2CCCC2=N)c(OC)c1 100114166 AJHVQBABWIDZTR-UHFFFAOYSA-N 220.272 2.281 0 40 BEAB CC(C)(C(=O)Nc1cnccn1)c1cccs1 125978442 RBOPSZHBYINLRQ-UHFFFAOYSA-N 247.323 2.454 0 40 BEAB Cc1ccc(-c2cc(Cn3ccnn3)on2)cc1 128061797 CJMNLEZVKUMSOZ-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB C[Si](C)(C)c1cc(F)c(C(=O)O)cc1F 196206320 XDCGBUAARSPRND-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB CN(N)c1cc(Cl)c2ccccc2n1 199545046 PKKOFALLQQIUGL-UHFFFAOYSA-N 207.664 2.198 0 40 BEAB CC(C)CN1CCC[C@]2(CCC(=O)N2C)CC1 585100662 SDFNHKYUGAMJMQ-AWEZNQCLSA-N 238.375 2.119 0 40 BEAB Cc1cc(O[C@H](C)C(F)(F)F)n2nccc2n1 585655263 ZIUUFLFTVKLLKO-SSDOTTSWSA-N 245.204 2.367 0 40 BEAB CC(=O)O[C@H](Cn1ccnc1)c1ccccc1 56331 QPBBYIRHBLMQLQ-CYBMUJFWSA-N 230.267 2.188 0 40 BEAB Cc1ccc2c(c1)Nc1nc3nonc3nc1N2 58460 OCCMHQGQMJOFCS-UHFFFAOYSA-N 240.226 2.122 0 40 BEAB CCc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)s1 205121 BFIUXTYFWMAWJJ-VXNVDRBHSA-N 243.353 2.099 0 40 BEAB COC(=O)c1c(-c2ccccc2)nn(C)c1C 347302 VYNXNCAMDHTBBF-UHFFFAOYSA-N 230.267 2.182 0 40 BEAB CCOC(=O)c1[nH]c2ccccc2c1CN(C)C 489396 XCLWRWMGOGPGDS-UHFFFAOYSA-N 246.310 2.406 0 40 BEAB Cc1nc2ccc3nsnc3c2nc1C 1256688 UAKXZVNYWANNFP-UHFFFAOYSA-N 216.269 2.251 0 40 BEAB CC(=O)N1CCN(c2cccc(Cl)c2)CC1 1561649 FGZISPCFLHSBOQ-UHFFFAOYSA-N 238.718 2.009 0 40 BEAB CCOC(=O)[C@H](O)[C@](C)(Cl)c1ccccc1 1716213 XZBUTDNPQYQZJL-CMPLNLGQSA-N 242.702 2.065 0 40 BEAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCO)cc1 1999468 JVGUNCHERKJFCM-GFCCVEGCSA-N 249.354 2.097 0 40 BEAB in-man NC(=O)c1ccc(C(F)(F)F)c(F)c1F 2382143 KHQRNMUALXORAX-UHFFFAOYSA-N 225.116 2.083 0 40 BEAB CC(=O)c1cccc(O)c1Br 2525564 SAPAONJSPUUHTQ-UHFFFAOYSA-N 215.046 2.357 0 40 BEAB Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2N=O 4673448 FLFNKEWNZOUJJU-KCJUWKMLSA-N 206.245 2.308 0 40 BEAB C[C@@H]1CCCN(c2ncccc2C(=O)O)C1 5720808 NUYISFMPEWGRBC-SECBINFHSA-N 220.272 2.016 0 40 BEAB O=C(O)c1c(Cl)ccc(Cl)c1C(=O)O 5784437 FLKHCKPUJWBHCW-UHFFFAOYSA-N 235.022 2.390 0 40 BEAB CN(C)c1ccc(NC(=O)c2ccccn2)cc1 6784524 KKUFYUVRYHPVPG-UHFFFAOYSA-N 241.294 2.400 0 40 BEAB CCCNC(=O)c1ccc(OC)c(OCC)c1 9974386 UDCZZCKUYVTUAJ-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB CNCCC1CCN(Cc2cccc(O)c2)CC1 15424030 SSNBZDONWSVRAV-UHFFFAOYSA-N 248.370 2.214 0 40 BEAB CCN1CCN[C@@H](c2ccccc2)C1(C)C 19365045 DLWQVUKPXRXNAM-ZDUSSCGKSA-N 218.344 2.431 0 40 BEAB Cc1ccc(CNc2ccc3nncn3n2)cc1 20861360 AWGGMJUPMMYPGV-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB CCc1cc(N)n(Cc2ccccc2)n1 26512148 PPKJWUOZSCUAEU-UHFFFAOYSA-N 201.273 2.076 0 40 BEAB CCn1nc(C)cc1NC(=O)C1CCCC1 28305691 MBQCTQNFCARRSI-UHFFFAOYSA-N 221.304 2.340 0 40 BEAB Cc1cc(C)n(CC(=O)NC2CCCCCC2)n1 31483871 HPNQNXQBCTXWTC-UHFFFAOYSA-N 249.358 2.339 0 40 BEAB CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 32675636 HGOWUZROMKALHX-UHFFFAOYSA-N 241.294 2.109 0 40 BEAB CC1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 32819181 NDNNRWKQKJOMIP-MCIGGMRASA-N 225.332 2.203 0 40 BEAB C[C@H](CCc1ccccc1)NC(=O)NC1CC1 32843696 PNYGPAAFGRVMNP-LLVKDONJSA-N 232.327 2.469 0 40 BEAB CCOC(=O)[C@@H](C)Nc1ccccc1OC 34510908 NDYLFKHPWLMBAB-SECBINFHSA-N 223.272 2.059 0 40 BEAB N[C@@H](CO)C(c1ccccc1)c1ccccc1 34745015 SDDOXKGXOXANAF-AWEZNQCLSA-N 227.307 2.138 0 40 BEAB COc1ccc(CCCCO)c(OC)c1 36158698 NVWFUOVOPMFJSX-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB COCCSc1ccc(-c2ccncc2)nn1 36652428 BGKCSZNKCQJFIQ-UHFFFAOYSA-N 247.323 2.277 0 40 BEAB COC(=O)C[C@H](C)CC(=O)c1ccccc1 38339462 ALNDZUCXUVJBGY-SNVBAGLBSA-N 220.268 2.459 0 40 BEAB C[C@@H](c1ccccc1)n1cccc(C(=O)O)c1=O 38540222 KHIJAVHPLSAGLB-JTQLQIEISA-N 243.262 2.156 0 40 BEAB Oc1ccc([C@@H](O)C(F)(F)F)nc1Cl 38997947 CKPRMYICFAOSPJ-RXMQYKEDSA-N 227.569 2.036 0 40 BEAB Cc1cc(CN(C)CCOc2ccccc2)on1 40468620 UDSKMTRYYAUVKU-UHFFFAOYSA-N 246.310 2.494 0 40 BEAB FC(F)(F)c1ccc(C2CNC2)cc1 44135320 MCYMKGBNIMSIQE-UHFFFAOYSA-N 201.191 2.392 0 40 BEAB in-vitro CC(C)Nc1ncc(CNCc2ccco2)cn1 62717632 QTUNKEWYCKSAHG-UHFFFAOYSA-N 246.314 2.180 0 40 BEAB CC(C)NC(=O)c1cc(-c2ccccc2)no1 65403064 MRUSLRAYFQDVPJ-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB CCOC(=O)c1cc(O)c2ccc(OC)cc2n1 71405465 YXFSUEXLHPXQCU-UHFFFAOYSA-N 247.250 2.126 0 40 BEAB O=C(C1CCCCC1)N1CC[C@@H](c2cc[nH]n2)C1 72187670 SQCTWCIRZBHRNQ-GFCCVEGCSA-N 247.342 2.306 0 40 BEAB CC1(C)OC(=O)c2c1ccnc2Br 72219696 DATZOPOKAVDKRH-UHFFFAOYSA-N 242.072 2.250 0 40 BEAB Cc1cc(CN2CCC[C@H]2c2cnn(C)c2)on1 72255078 LQXPGNUMVZHOED-ZDUSSCGKSA-N 246.314 2.054 0 40 BEAB COCCC(=O)N1CCC[C@H]1c1cccc(C)n1 72361390 FSBXVMVOWAQOIV-ZDUSSCGKSA-N 248.326 2.090 0 40 BEAB Fc1ccccc1-c1nnc(Cn2ccnc2)o1 72558653 LCVZCJVTYGOSMO-UHFFFAOYSA-N 244.229 2.121 0 40 BEAB O=C(O)[C@H]1C[C@@H](C2CCCCC2)CCN1 74148213 HRHIKSLSMMWSSH-WDEREUQCSA-N 211.305 2.020 0 40 BEAB CC(C)[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C 82348713 JZWRCXLLTHEQOW-ZJUUUORDSA-N 229.320 2.013 0 40 BEAB CC1CCN(c2ncnc3[nH]ccc23)CC1 82358958 QAWRIYFTCUNRIU-UHFFFAOYSA-N 216.288 2.194 0 40 BEAB C[C@@H](O)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 82862788 KIHJYZNMFHGRAU-HRDYMLBCSA-N 225.254 2.078 0 40 BEAB CCC[C@H](CNC(=O)OC(C)(C)C)C(=O)O 83602310 ZMTFJZAKAIBBQV-MRVPVSSYSA-N 231.292 2.012 0 40 BEAB O=c1[nH]c([C@H]2CCCS2)nc2ccccc12 84585318 PNQIIYCIGUJMEB-SNVBAGLBSA-N 232.308 2.491 0 40 BEAB Clc1cnc2ncc(Br)cn12 95627207 KLWTUOYAZYFGJZ-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(C)cc1C 95731074 OZJFANRODWVQIK-UHFFFAOYSA-N 238.308 2.485 0 40 BEAB OCCCCc1cccc2c1OC(F)(F)O2 96171550 FSYAVKJOUJVPOX-UHFFFAOYSA-N 230.210 2.323 0 40 BEAB CCOC(=O)c1ncn(CC(C)C)c1C 96524044 PEQDWOKNZOTTCY-UHFFFAOYSA-N 210.277 2.024 0 40 BEAB C[C@@H]1CCCC[C@@H]1OCCSc1cnn[nH]1 97014286 BJFHGKOXUHLXHL-ZJUUUORDSA-N 241.360 2.492 0 40 BEAB Cc1cc(NC(=O)CCC2CCC2)nc(O)n1 97082726 TWFWLRYLPRYCOE-UHFFFAOYSA-N 235.287 2.009 0 40 BEAB Oc1c2c(nc3nc4ccccc4n13)CCC2 102734252 JDSUWNAAPCQEQF-UHFFFAOYSA-N 225.251 2.077 0 40 BEAB Cc1cc(C[S@](=O)c2ccoc2C)no1 189609227 OWKHDWKJPYSZHK-HNNXBMFYSA-N 225.269 2.192 0 40 BEAB CCOC(/C=C\Br)OCC 209131484 LIYQUVXOICRLQR-WAYWQWQTSA-N 209.083 2.294 0 40 BEAB Fc1cc(F)cc(N2CCN[C@H]3CCC[C@H]32)c1 218848117 FOHMKEYMQWAYOY-QWHCGFSZSA-N 238.281 2.296 0 40 BEAB COc1ncccc1NC(=S)NCC(C)C 223877728 ASJUCDVNFYGDEL-UHFFFAOYSA-N 239.344 2.033 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCN(C2CCCC2)C1 257285593 PHXDIUUSIMURLF-LLVKDONJSA-N 219.332 2.450 0 40 BEAB COc1cc(N(C)Cc2ccccc2)ncn1 427504727 KXUCIVXIDNZRCZ-UHFFFAOYSA-N 229.283 2.122 0 40 BEAB CCOC(=O)c1cc(-c2ncccc2C)on1 1857794146 WWBUCIFCUAUJLW-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB CCOC(=O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 1857795731 OEVIFWQPSJCRKT-CHWSQXEVSA-N 233.311 2.419 0 40 BEAB CC(C)(O)c1cc(F)c(Cl)cc1N 2362804748 KTCPQGVFLYIBKI-UHFFFAOYSA-N 203.644 2.289 0 40 BEAB CC(=O)Oc1cc(C)c(OC(C)=O)cc1C 400542 HUJQFHOCNAVWBX-UHFFFAOYSA-N 222.240 2.154 0 40 BEAB C[C@H]1CCc2cc(Br)ccc2N1N 1657482 WQAFGYUKYCQNTK-ZETCQYMHSA-N 241.132 2.464 0 40 BEAB CCOC(=O)[C@@H](c1ccccc1)C(C)(C)O 1670947 HIMQJWDCEZNEAN-LLVKDONJSA-N 222.284 2.104 0 40 BEAB COc1cc(N)c(Br)cc1OC 1685331 FZPJGMHMEFSPED-UHFFFAOYSA-N 232.077 2.049 0 40 BEAB biogenic CC1(C)O[P@@](=O)(O)C=C1Br 2025432 AFCJTHYLWFFJSU-UHFFFAOYSA-N 226.994 2.217 0 40 BEAB CCn1cc(CNCc2ccc(OC)cc2)cn1 2536066 DTCMAUJKIFKJDX-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB O=C(O)c1ccc(S)cc1Br 2576375 VGINVQDGXYNJMW-UHFFFAOYSA-N 233.086 2.436 0 40 BEAB in-vitro Cc1[nH]c2ccccc2c1SC(=N)N 3866113 ZPRYXKKXQDEZCP-UHFFFAOYSA-N 205.286 2.462 0 40 BEAB COC(=O)Nc1cn(-c2ccc(C)cc2)n[o+]1 4115529 SKJCULCINIRVDO-UHFFFAOYSA-O 234.235 2.233 0 40 BEAB Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1 6641504 LHJUXZWAVZHIDP-JQWIXIFHSA-N 247.294 2.133 0 40 BEAB Cc1cc(C)c2c(n1)sc1c(=O)[nH]cnc12 8739438 YDGPIBYHPQKXIU-UHFFFAOYSA-N 231.280 2.150 0 40 BEAB Cc1cccc(-n2[nH]c(C(F)(F)F)cc2=O)c1 13552437 OUAMLAKMYBPWHP-UHFFFAOYSA-N 242.200 2.493 0 40 BEAB Fc1cnc(F)c(F)c1Br 16159837 FSEIUJXQVPRMHU-UHFFFAOYSA-N 211.968 2.261 0 40 BEAB Cc1ncc(C(=O)Nc2ccccc2)c(C)n1 19936933 ZHKAHVOXGHMQNW-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB O=C(O)c1cnc(COc2ccccc2)s1 19948456 UZJZXIIZCKLJFZ-UHFFFAOYSA-N 235.264 2.420 0 40 BEAB in-vitro N=C(Cc1csc(N)n1)NCc1ccccc1 26470182 YWPXCFYSZJQCSN-UHFFFAOYSA-N 246.339 2.035 0 40 BEAB Cc1cc(OCc2nnc(N)o2)ccc1Cl 26473123 GVUTYTVIXPNLTN-UHFFFAOYSA-N 239.662 2.193 0 40 BEAB Cc1cc(C)c(NC(=O)/C=C\C(=O)O)c(C)c1 31723520 LIBBIQNPOBBNDV-PLNGDYQASA-N 233.267 2.191 0 40 BEAB CCC(C)(C)NC(=O)[C@H]1COc2ccccc2O1 32666449 QFXHKHFSLNJSBD-GFCCVEGCSA-N 249.310 2.131 0 40 BEAB COc1cc(C)ccc1NCc1cnn(C)c1 37783401 FOBDFGOODDHALO-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB C[C@H]1CCCCN1C(=O)COc1cccc(N)c1 38054873 PYIABCKYGQVEND-NSHDSACASA-N 248.326 2.049 0 40 BEAB O=C(Nc1nccs1)OCC(F)(F)F 38342177 SCKXDWMZFBAHQS-UHFFFAOYSA-N 226.179 2.254 0 40 BEAB in-vitro CC(C)CNC(=O)c1cc2occc2n1C 40284667 XAZQTRWAUAVRMI-UHFFFAOYSA-N 220.272 2.157 0 40 BEAB O=C1OCC[C@H]1Sc1ncccc1Cl 40493670 ZYMKJRAJLHRKOA-SSDOTTSWSA-N 229.688 2.143 0 40 BEAB O=C(NCc1nccs1)c1cccs1 41535886 UFBLWQDKRWAXLI-UHFFFAOYSA-N 224.310 2.135 0 40 BEAB CCOCCNCc1cc(C)ccc1C 42337514 VENAACOXIMZLLL-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB CCOc1ccc(C(=O)Nc2nc(C)no2)cc1 42762330 HVJNZXYBLGPXOL-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB CC(C)CC(=O)NOCc1ccccc1 61509068 CDMDWDOOUCLPST-UHFFFAOYSA-N 207.273 2.281 0 40 BEAB COc1cccc([C@H](O)c2ccoc2)c1 68890713 CNFQREDZCHNFKR-LBPRGKRZSA-N 204.225 2.370 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@H]([C@H](C)N)C1 70172669 KIHACNQAIPBFKJ-STQMWFEESA-N 246.354 2.194 0 40 BEAB CCOc1ccc([C@@H]2CCCCN2C=O)cn1 72211811 GUCAMOVLLSCCOF-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB CCN(CC(C)(C)O)C(=O)/C=C/c1ccccc1 76093544 KLALTHPJZIJCJD-ZHACJKMWSA-N 247.338 2.319 0 40 BEAB Fc1cccnc1N1CCCSCC1 84484254 JZWHAWKBSFAIDK-UHFFFAOYSA-N 212.293 2.164 0 40 BEAB Cc1c(C(=O)O)cc2ccccc2c1N 89157650 CMRLOYGGEHKCNY-UHFFFAOYSA-N 201.225 2.429 0 40 BEAB in-vitro CSCCn1ccnc1-c1ccccn1 91000167 NVJLHPOHJMVBKS-UHFFFAOYSA-N 219.313 2.308 0 40 BEAB O=C(O)c1c(Cl)cc(O)cc1Cl 95829831 WJOVLMLBLLKYKD-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB COC[C@@H](C)C(=O)Nc1ccnc(C)c1Cl 96008241 FELCXKJXWAUJGB-SSDOTTSWSA-N 242.706 2.264 0 40 BEAB CO[C@@H](CNC(=O)C1CCC1)c1ccsc1 96097361 RFYVDFGFIZWIPD-NSHDSACASA-N 239.340 2.352 0 40 BEAB CCN1CC[C@H](C(=O)O)c2ccccc21 96515733 ZULZHVINQXBEFF-JTQLQIEISA-N 205.257 2.085 0 40 BEAB COC(=O)c1[nH]cc(-c2ccccc2OC)c1N 96515931 KOEQLZBFZOZIIL-UHFFFAOYSA-N 246.266 2.059 0 40 BEAB CC(C)Cn1cc(N[C@H]2CCO[C@@H]2C)cn1 97038677 QXNFVPZDQOOKFI-PWSUYJOCSA-N 223.320 2.128 0 40 BEAB O=C(Nc1ncccc1F)C1CC=CC1 97110800 RXNSXCJKDHGVLX-UHFFFAOYSA-N 206.220 2.125 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCSC1 98018509 AEVCVARKGWXBSM-QMMMGPOBSA-N 217.334 2.407 0 40 BEAB CCOC(=O)[C@@H]1CS[C@H](c2cccs2)N1 98072870 FPFZNKCTUSSDIU-IONNQARKSA-N 243.353 2.015 0 40 BEAB C=CC(=O)OCCO[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21 100070905 RSVDRWTUCMTKBV-MEBFFEOJSA-N 248.322 2.333 0 40 BEAB Cc1nn(-c2ccccc2)c(N)c1N=O 100077675 PKNDMLXSFRJDDY-UHFFFAOYSA-N 202.217 2.161 0 40 BEAB S=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NC1CC1 107333959 VPJRWJUTEKIDFS-DCAQKATOSA-N 238.400 2.439 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@@H]2[C@H](C)O)c1 108350601 ZEKOAWYKSMNJMM-JMJZKYOTSA-N 222.284 2.188 0 40 BEAB CC(=O)Nc1cc(C)c(C)cc1C(C)=O 142907545 FTIZIILUXLAKRH-UHFFFAOYSA-N 205.257 2.464 0 40 BEAB COC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 223698648 CXAOKDHXFNGUHW-LLVKDONJSA-N 237.299 2.071 0 40 BEAB CC[C@H]1CCCCN1CCCNC(=O)C1CC1 225384402 HIRKOULGQKHKOO-ZDUSSCGKSA-N 238.375 2.167 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCN(Cc2cccnc2)C1 257237854 HIMTWKHQLQMUCM-CYBMUJFWSA-N 242.326 2.103 0 40 BEAB CC(=O)c1cc(CSC2=NCCN2)cs1 34674 WUUHLKHOHMBRMR-UHFFFAOYSA-N 240.353 2.143 0 40 BEAB Cc1ccc(NC(=O)Nc2nncs2)cc1 137511 NKKRQPPOZQYMPU-UHFFFAOYSA-N 234.284 2.491 0 40 BEAB CC[n+]1c(C)sc2cc(NC(C)=O)ccc21 264520 SSMCOSFGOVEUHL-UHFFFAOYSA-O 235.332 2.476 0 40 BEAB CCN(CC)c1ccc2c(C=O)cc(=O)oc2c1 321077 OEDBHOAJDADPMY-UHFFFAOYSA-N 245.278 2.452 0 40 BEAB C=CS(=O)(=O)c1cccc(Br)c1 409109 OLIANFUVVGMTDW-UHFFFAOYSA-N 247.113 2.366 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)c1ccncc1 473768 IBQULOKMIKCTRW-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB O=C(OC[C@H]1CCCO1)c1ccccc1 1680437 ZXVLLZARPGZABO-LLVKDONJSA-N 206.241 2.022 0 40 BEAB COc1ccc(/C=C/c2cccc[n+]2C)c(O)c1 5002302 LQVWGLZOPPBFMU-UHFFFAOYSA-O 242.298 2.396 0 40 BEAB CC[C@H](C)NC(=O)c1c(OC)cccc1OC 5468576 TVPUHSKBSYMKEF-VIFPVBQESA-N 237.299 2.232 0 40 BEAB CC(=O)Sc1cc(C)nc(SC(C)=O)n1 5537530 XRXMPEDVPGFEEE-UHFFFAOYSA-N 242.325 2.062 0 40 BEAB CCN1C[C@H]2CCN[C@H]2c2ccccc21 5808489 VLWRWRLWJUVOTM-ZWNOBZJWSA-N 202.301 2.177 0 40 BEAB Cc1cc(C)nc(NC(=O)c2cccc(F)c2)n1 6922217 KHWZZWYASPRWHE-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB NCCCCc1nc(-c2ccccn2)cs1 11887682 MNFQMWYWXLWAHS-UHFFFAOYSA-N 233.340 2.487 0 40 BEAB Nc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)(F)F)O2 12375138 IALWDZNGRXLZEN-CBAPKCEASA-N 233.189 2.016 0 40 BEAB O=C1C=C(N2CCCCC2)C2(CCCC2)O1 12860105 FJCLSDOVADMOSS-UHFFFAOYSA-N 221.300 2.226 0 40 BEAB O=Cc1ccc(OCC(F)(F)F)cc1 19518445 VQGWQLMGMVUITG-UHFFFAOYSA-N 204.147 2.440 0 40 BEAB in-vitro CC(C)Oc1ccc(-c2nonc2N)cc1 19772650 VRIANLBCFBMUMO-UHFFFAOYSA-N 219.244 2.106 0 40 BEAB Cn1c([C@@H](N)c2cccnc2)nc2ccccc21 19929942 DFJGRSQUVQALCE-ZDUSSCGKSA-N 238.294 2.016 0 40 BEAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1cccc2cn[nH]c12 26870920 SBJOFOGALWNRTD-IONNQARKSA-N 215.256 2.157 0 40 BEAB O=C(Nc1cccnc1)N1CCCCCC1 32841285 PNPOZAYTASJKOC-UHFFFAOYSA-N 219.288 2.490 0 40 BEAB COc1ccc(CCc2cc(N)on2)cc1 34939714 QSHMBQYBPNPMIC-UHFFFAOYSA-N 218.256 2.051 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(CO)C1 48056636 BBMPPFABSXELKV-MFKMUULPSA-N 241.331 2.016 0 40 BEAB Cc1nc([C@@H](N)c2ccc(Cl)c(F)c2)no1 49808701 KNLSOPFXUOKYSV-VIFPVBQESA-N 241.653 2.219 0 40 BEAB in-vitro CC[C@@H](C)N(C)CCNC(=O)c1cccs1 66137496 MJORGOJAJYGSJC-SNVBAGLBSA-N 240.372 2.208 0 40 BEAB Oc1nc2ncccc2nc1-c1cccs1 71289440 KCOQPQICPXEDHC-UHFFFAOYSA-N 229.264 2.459 0 40 BEAB COc1cccc(OC)c1[C@@H]1CCCCN1C=O 72221450 ZYDOIGJQLJKBJJ-NSHDSACASA-N 249.310 2.387 0 40 BEAB CC(C)=CCN1CCC[C@H]1c1noc(C)n1 75573184 LTUBQWMHTXVRMT-NSHDSACASA-N 221.304 2.481 0 40 BEAB Nc1cc(C(=O)Cc2ccc(F)cc2)ccn1 85210057 IOXAEZSQRZMYNX-UHFFFAOYSA-N 230.242 2.228 0 40 BEAB C[C@@H]1CC[C@H](C(=O)N2CCCCCCC2)O1 89922811 BWYZGCWZGPBRDJ-VXGBXAGGSA-N 225.332 2.347 0 40 BEAB CC(C)(C)OC(=O)Nc1cnc(C(=O)O)s1 95630150 ZWARRBACZKJRHL-UHFFFAOYSA-N 244.272 2.188 0 40 BEAB CN(CCC(C)(C)C)Cc1nccn1C 96002374 VFEHMDDMXJSKDN-UHFFFAOYSA-N 209.337 2.288 0 40 BEAB CCOC(=O)[C@H]1CS[C@@H](c2cccs2)N1 98072873 FPFZNKCTUSSDIU-APPZFPTMSA-N 243.353 2.015 0 40 BEAB C[C@@H]1CC[C@H](C(=O)Nc2ccccc2F)O1 121810534 ZBMSRMONHQDJAJ-LDYMZIIASA-N 223.247 2.332 0 40 BEAB CO[C@H]1c2ccccc2O[C@@H]2OCC[C@@H]21 163976917 YKCAAHHUZZERAP-USWWRNFRSA-N 206.241 2.129 0 40 BEAB COC[C@H](C)N1CCc2sccc2C1 173485349 RBJOTUPXVNFTMN-VIFPVBQESA-N 211.330 2.141 0 40 BEAB COc1cc(NC(=O)[C@@H]2C[C@H]2C)ccc1F 189446712 SUQRMRFVNRPRNM-VXNVDRBHSA-N 223.247 2.429 0 40 BEAB CO[C@H](CNC(=O)NC(C)(C)C)c1ccco1 206868065 ORKWAJRNAZXBCE-SNVBAGLBSA-N 240.303 2.065 0 40 BEAB CCOC[C@H](O)CN1[C@H]2CCCC[C@H]2C[C@H]1C 245316836 KUHYGFZTKSQOJJ-RQJABVFESA-N 241.375 2.037 0 40 BEAB Oc1cccc(CNc2cnn(CCF)c2)c1 256053818 TUNXDTRZGGJTKG-UHFFFAOYSA-N 235.262 2.170 0 40 BEAB COC(=O)C1CCC(OC)(C(F)(F)F)CC1 261176279 HQZDJIQCJIFCMJ-UHFFFAOYSA-N 240.221 2.297 0 40 BEAB CC(=O)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830634 MIIUCKAOQJQFDF-RYUDHWBXSA-N 246.310 2.002 0 40 BEAB COC(=O)c1ccn(Cc2cccc(C)c2)n1 675031119 FZHKEVWXQRRBFU-UHFFFAOYSA-N 230.267 2.026 0 40 BEAB CCN(CC)C(=O)c1c[nH]c2ccccc2c1=O 43492 CXMNTCFDJVBULZ-UHFFFAOYSA-N 244.294 2.010 0 40 BEAB O=C(O)c1nc2cccc3cccc([nH]1)c32 1436206 SSLKCRRRVHOPOI-UHFFFAOYSA-N 212.208 2.414 0 40 BEAB CCCCOCCOCCO[C@H]1CCCCO1 1663783 IQQBHEHGOZAWPW-ZDUSSCGKSA-N 246.347 2.363 0 40 BEAB in-vitro CCOC(=O)C(=O)Nc1ccc(C)c(Cl)c1 2767154 JKPZMHQRKVAICD-UHFFFAOYSA-N 241.674 2.150 0 40 BEAB Cc1ccc2[nH]c3c(c2c1)C[C@H](N)CC3 3807665 NWTOHMWTBNGTEF-SECBINFHSA-N 200.285 2.292 0 40 BEAB in-vitro c1ccc2c(c1)CN=C2N1CCCCC1 4843829 KXPWAFJOKWNKSF-UHFFFAOYSA-N 200.285 2.433 0 40 BEAB O=C1[C@H]2[C@@H](C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]13)[C@H]1CC[C@@H]2C1 5369268 VUPXFCMAVVIOEV-GUUDVVMISA-N 244.334 2.463 0 40 BEAB COC(=O)[C@@H]1[C@H](C)[C@H]2CCCC[C@@H]2C[C@@]1(C)O 5395548 YFOUZMQDXMJLSG-MPLKPFFPSA-N 240.343 2.373 0 40 BEAB COC(=O)[C@H]1Cc2ccc3c(c2C1=O)CCCC3 6003298 QYIDDALBUVDWRH-LBPRGKRZSA-N 244.290 2.093 0 40 BEAB CN1CCC(OC(=O)Nc2ccccc2)CC1 6169406 IPRFNMZHDAOFNJ-UHFFFAOYSA-N 234.299 2.329 0 40 BEAB Cc1nn(-c2cccc(F)c2)c(C)c1C(=O)O 6770807 LJACJQBZZIQQAS-UHFFFAOYSA-N 234.230 2.326 0 40 BEAB Cc1nnc(SCC(=O)c2cccs2)o1 6861500 VQEMPDSOONSHJU-UHFFFAOYSA-N 240.309 2.415 0 40 BEAB O=C(Cc1ccsc1)Nc1nccs1 7655096 GXMQAVDOINWGFM-UHFFFAOYSA-N 224.310 2.386 0 40 BEAB O=C(O)Cc1ccc2[nH]c(C(F)(F)F)nc2c1 11567756 KWMYRSNKUFCPMV-UHFFFAOYSA-N 244.172 2.209 0 40 BEAB NC(=O)[C@@H](c1ccccc1)N1CCCCCCC1 12881307 LRYVACGIHJTLSP-CQSZACIVSA-N 246.354 2.479 0 40 BEAB Nc1ccccc1OC[C@H]1CCCCO1 13483549 AGQGPCQKCZTQJO-SNVBAGLBSA-N 207.273 2.217 0 40 BEAB in-vitro S=C(Nc1ccccc1)N1CCSC1 16489838 CKUPUBLBAASQST-UHFFFAOYSA-N 224.354 2.390 0 40 BEAB COc1ccc(C2=CCNCC2)cc1OC 19811398 LBRPLHNBPFDAHO-UHFFFAOYSA-N 219.284 2.081 0 40 BEAB in-vitro Cc1cc(Sc2nc(C)cs2)nc(N)n1 25047317 AJMYPBLFWRHTPH-UHFFFAOYSA-N 238.341 2.283 0 40 BEAB COc1cccc(-n2c(C)cc(=O)cc2C)c1 26802553 YZUGYOXAEYDGGQ-UHFFFAOYSA-N 229.279 2.463 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)cc1 28574054 XDXCTDRMTKDFPF-NSHDSACASA-N 243.310 2.220 0 40 BEAB CCc1ccc(C(=O)NCCc2ccccn2)o1 28898006 SIFFTNLKVSHGBK-UHFFFAOYSA-N 244.294 2.210 0 40 BEAB Cc1c(NC(=O)NC2CCCCC2)cnn1C 32610952 DWAPCLNXBAVTOB-UHFFFAOYSA-N 236.319 2.183 0 40 BEAB O=C(CCC1CCCCC1)N1CCC[C@@H](O)C1 32720063 QZGGMAZEEBPUSW-CYBMUJFWSA-N 239.359 2.330 0 40 BEAB Fc1ccc(CN2CCOCC2)c2ncccc12 32824023 HRSHVEYUTVVRIO-UHFFFAOYSA-N 246.285 2.206 0 40 BEAB CCc1ccc(C(=O)NCc2ccccn2)o1 32824502 CZRABRZNBNNTNZ-UHFFFAOYSA-N 230.267 2.167 0 40 BEAB O=C(Nc1cn[nH]c1)c1cc2ccccc2o1 35237467 TXJBURGYPVDKBT-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB CCOC(=O)CCOc1cccc(F)c1 36669112 YQHWNNZUNOKECV-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB Cc1ccccc1-c1nn(C)cc1C=O 36894399 QKCBGXRGWMGTGA-UHFFFAOYSA-N 200.241 2.208 0 40 BEAB COC(=O)CCCOc1ccc(C)cc1 37246967 DGXKOHIPCXNNSN-UHFFFAOYSA-N 208.257 2.327 0 40 BEAB CC(C)(C)NC[C@H](O)c1cccc(O)c1Cl 39233494 DLLAFIBSOHRYIT-JTQLQIEISA-N 243.734 2.467 0 40 BEAB CC(=O)Nc1ccc(OC[C@H]2CCCNC2)cc1 42782848 ZUJJMKSCLGMWHT-LBPRGKRZSA-N 248.326 2.023 0 40 BEAB CSCC(=O)Nc1ccc(F)c(F)c1 45829839 CXRIKRPKFIGWIF-UHFFFAOYSA-N 217.240 2.266 0 40 BEAB C[C@H]1CCCCN1c1ccc(N)cc1C(=O)O 58013957 YILAZDUANQYWIV-VIFPVBQESA-N 234.299 2.346 0 40 BEAB NCC(=O)c1cc(Cl)ccc1Cl 58114633 DREWGHWENMEEQN-UHFFFAOYSA-N 204.056 2.135 0 40 BEAB Fc1cc(Br)cc2c1CNC2 59702894 ZOJUKIHIUSKTED-UHFFFAOYSA-N 216.053 2.191 0 40 BEAB CC(C)(C)CNCc1ccnc(-n2cccn2)c1 66971858 WEERIHHCLOQLMP-UHFFFAOYSA-N 244.342 2.403 0 40 BEAB O=C(CSCc1ccccc1)N1CCC1 69383381 RTHPNLJYLPDMLY-UHFFFAOYSA-N 221.325 2.152 0 40 BEAB CCc1ccc(Cn2cc(C)c(N)n2)cc1 69760212 QBTQZAYDFGPSEF-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB NC[C@H](O)c1ccc(-c2cccs2)cc1 71521345 HRAOLMOXQLRRSI-NSHDSACASA-N 219.309 2.407 0 40 BEAB C[C@H]1CC(O)C[C@H](C)N1C(=O)OC(C)(C)C 72206948 RNQIRWQBYRTJPG-IUCAKERBSA-N 229.320 2.155 0 40 BEAB NC(=S)Cc1cccc2ncccc12 72207129 YOXYIHHJRRPXOY-UHFFFAOYSA-N 202.282 2.063 0 40 BEAB Cc1ccc(NC(=O)C2CC2)c(CN(C)C)c1 78704105 OQHZVGYUFHPDOR-UHFFFAOYSA-N 232.327 2.405 0 40 BEAB Cc1ccoc1CNC[C@@H]1CCCn2ccnc21 89701980 OBQKZZXBTFCPNC-LBPRGKRZSA-N 245.326 2.452 0 40 BEAB Cc1nc(CN2CCCSCC2)oc1C 95441992 GSHQFBDZDBRRPC-UHFFFAOYSA-N 226.345 2.230 0 40 BEAB O=C(O)c1cnc(C(F)(F)F)c(Cl)c1 95611739 MWGOLCJXZMSNSL-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2n1C 97377808 VHVNIXDJXNEZLR-VHSXEESVSA-N 243.310 2.192 0 40 BEAB O=Cc1cc(CO)ccc1C(F)(F)F 98086075 JTCYYJDIVXHZNZ-UHFFFAOYSA-N 204.147 2.010 0 40 BEAB NN[C@H](c1ccccc1)c1ccccc1F 161783609 VXYPEOFJWXPOGZ-CYBMUJFWSA-N 216.259 2.378 0 40 BEAB CCO[C@H](CO)Cc1ccc(Cl)cc1 165718690 MXFVXKOUYUPONU-NSHDSACASA-N 214.692 2.280 0 40 BEAB Cc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 216108898 JIDRSRYRCNYOIG-YDHLFZDLSA-N 248.370 2.104 0 40 BEAB CCOC(=O)COc1cc(C)nc2ccccc12 217445243 PTSFJPFXYUJVDL-UHFFFAOYSA-N 245.278 2.485 0 40 BEAB CCOCC(=O)N(C)Cc1cccc2cc[nH]c12 225527311 DWTVLBCAJATBBF-UHFFFAOYSA-N 246.310 2.163 0 40 BEAB Cc1c[nH]c([C@H]2CCCN2c2ccnc(C)n2)n1 257220867 DMNLVLXVRTWZTK-LLVKDONJSA-N 243.314 2.158 0 40 BEAB FC(F)c1cnc2cnc(Br)cn12 575629178 LOSNNVPPIIFTNM-UHFFFAOYSA-N 248.030 2.429 0 40 BEAB Cc1cc(OCC2CC2)n2nc(C)cc2n1 585654939 NROMRGBMWLBBQT-UHFFFAOYSA-N 217.272 2.135 0 40 BEAB O=C(O)[C@]1(c2ccccc2F)CC1(F)F 1536092380 HMNWUIZDZDHAQE-SECBINFHSA-N 216.158 2.187 0 40 BEAB COc1ccc2nc(C)cc(C(=O)O)c2c1 72646 WCSVELHYERJCLA-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB in-vitro Nc1ccc(-c2cn3c(n2)SCC3)cc1 153720 JYDVTSQQZMZVDH-UHFFFAOYSA-N 217.297 2.238 0 40 BEAB Cc1ccc(Nc2ncccc2C(N)=O)cc1 481313 QSBJMVSZUKBBIL-UHFFFAOYSA-N 227.267 2.233 0 40 BEAB O=Cc1cccn1-c1cccnc1Cl 1527316 UCWQJFWGYWPPRF-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB in-vitro CC1(c2ccc(Cl)cc2)OC(=O)CC(=O)O1 1573479 DNYHCGSCUUMMSM-UHFFFAOYSA-N 240.642 2.003 0 40 BEAB CCC[C@](C)(NC(=O)c1ccccc1)C(=O)O 1602530 MCEIPKQWJUSRND-ZDUSSCGKSA-N 235.283 2.060 0 40 BEAB COC(=O)c1ccc[n+](CCc2ccccc2)c1 1634206 PMDQJNXNLOZQOE-UHFFFAOYSA-N 242.298 2.003 0 40 BEAB CC(=O)N(C(C)=O)c1ccc(Cl)cc1 1689868 APAACPVZDAGQHC-UHFFFAOYSA-N 211.648 2.239 0 40 BEAB CON(C)C(=O)c1ccc(Cl)cc1F 2586048 GYECROLIZPLTMN-UHFFFAOYSA-N 217.627 2.113 0 40 BEAB CCOc1ccc(-c2cc(C(=O)O)no2)cc1 4234923 FTVWKNMSWDXJCY-UHFFFAOYSA-N 233.223 2.439 0 40 BEAB CC[C@@H](C[C@]1(C)OCC[C@H](C)O1)C(=O)O 4705644 QXQGMCHPWQCEBV-ATZCPNFKSA-N 216.277 2.029 0 40 BEAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@@H]1C2 5044990 WPKAHZWKGMWFDM-DMDPSCGWSA-N 230.311 2.134 0 40 BEAB CN(C)C1=CC(=S)N[C@H](c2ccccc2)C1 6371903 RQAUPAJSEMWJCZ-LBPRGKRZSA-N 232.352 2.494 0 40 BEAB CCCNS(=O)(=O)c1ccc(C(C)C)cc1 6654688 BLWGWSLJTGXQQU-UHFFFAOYSA-N 241.356 2.498 0 40 BEAB Cc1ccc(C(=O)O)cc1-c1ccc(CO)o1 8727662 DNUFFXGKSTZZOG-UHFFFAOYSA-N 232.235 2.446 0 40 BEAB Cc1cc(C)nc(NC(=S)NCC(C)C)n1 13935689 RTAHPZPFIQRRQG-UHFFFAOYSA-N 238.360 2.036 0 40 BEAB C[C@@H](O)C1(O)c2ccccc2-c2ccccc21 16951465 XXVILNBKWHOHHC-SNVBAGLBSA-N 226.275 2.284 0 40 BEAB Clc1ccc(OC[C@H]2CCCCO2)nn1 19414694 SDCMVAAMYBGXJT-MRVPVSSYSA-N 228.679 2.078 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@H](N)C(C)C 20486535 OSOXIVWSQQOFAQ-CYBMUJFWSA-N 234.343 2.018 0 40 BEAB O=C(O)c1cccnc1OC1CCCC1 22171929 PDIXGGMZPGOAAL-UHFFFAOYSA-N 207.229 2.101 0 40 BEAB N=C(N)Cc1cccc(C(F)(F)F)c1 26517012 VXULOLKXRQPFNY-UHFFFAOYSA-N 202.179 2.184 0 40 BEAB in-vitro CSc1ncn(C(=O)Nc2ccccc2)n1 27532378 LABPVTRRICNOCN-UHFFFAOYSA-N 234.284 2.080 0 40 BEAB Cc1ccc(Cl)c(OCC(=O)N(C)C)c1 32911046 SFEAGPRHRDNVCN-UHFFFAOYSA-N 227.691 2.115 0 40 BEAB CCn1nc(CNC2CC2)c(-c2ccccc2)n1 35287290 AWBIGCVISAWZJP-UHFFFAOYSA-N 242.326 2.217 0 40 BEAB O=C(c1ccc2nccnc2c1)N1CC=CCC1 35962981 LKXTWGUTMRESPF-UHFFFAOYSA-N 239.278 2.032 0 40 BEAB Cn1cc(C(=O)O)c(-c2cc(F)ccc2F)n1 36894474 AXDQBQOZVFEFSZ-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB in-vitro C=CC(=O)N[C@H](CC)c1ccccc1OC 37005439 VLWFXIVAXSZOGU-LLVKDONJSA-N 219.284 2.449 0 40 BEAB COc1ccccc1-c1c[nH]cc1C(=O)O 37245270 AWCCFRDLSOOJMQ-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB in-vitro COc1cc(Cl)c(OC)c(C=O)c1 38283589 FLYNYGVIQIKEJX-UHFFFAOYSA-N 200.621 2.170 0 40 BEAB O[C@@H]1CCc2cc(Br)ccc2C1 38392532 GFAONWSTEKWMAV-SNVBAGLBSA-N 227.101 2.299 0 40 BEAB in-vitro Cn1cccc1[C@@H]1CCCN1C(=O)C1CC1 40473077 VWBMXTVOBAEAJY-LBPRGKRZSA-N 218.300 2.099 0 40 BEAB CC[C@@H](C)n1ncc(C(=O)O)c1C1CC1 40930728 AQLPNAWLKPYKSU-SSDOTTSWSA-N 208.261 2.430 0 40 BEAB in-vitro C[C@H]1CNCCN1[C@@H](C)c1ccccc1 41213213 OPHHITNORRLRPQ-RYUDHWBXSA-N 204.317 2.041 0 40 BEAB CC(C)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 43323671 LFTQRMKZAXONPV-NSHDSACASA-N 242.363 2.384 0 40 BEAB COCCSCC(=O)Nc1cccc(F)c1 45024509 MTONYAANWGWQFV-UHFFFAOYSA-N 243.303 2.144 0 40 BEAB CC(C)c1cc(NC(=O)c2ccoc2)[nH]n1 49044206 PQGAJKQRBVNXDS-UHFFFAOYSA-N 219.244 2.378 0 40 BEAB COc1ccc2nc(C)c(C)c(N)c2c1 50870839 CDQZHJOQJZHWMP-UHFFFAOYSA-N 202.257 2.442 0 40 BEAB NC[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 54586836 YLAYUIMEMDLUBM-PSASIEDQSA-N 213.227 2.350 0 40 BEAB CCCc1noc(CSC2=NCCS2)n1 65565328 QTUBRNIDFNIYBW-UHFFFAOYSA-N 243.357 2.358 0 40 BEAB CC[C@@H](C)N(C)CCNC(=O)c1ccsc1 66137125 KUUDYFFSVXPMJD-SNVBAGLBSA-N 240.372 2.208 0 40 BEAB CN1CCC[C@H]1c1cccnc1NC1CC1 72213704 KXRLVNPPCNWYRB-LBPRGKRZSA-N 217.316 2.423 0 40 BEAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)C(C)C)C1 72361227 WJWWRCTVXKJQQO-NSHDSACASA-N 235.331 2.080 0 40 BEAB CCCn1c(C(C)=O)cc(C(=O)O)c1C 78404536 BKINGEUZEIINPY-UHFFFAOYSA-N 209.245 2.107 0 40 BEAB CCc1nsc(N2CCCCCC2)n1 80761261 ISXBQKFPPOXHNO-UHFFFAOYSA-N 211.334 2.481 0 40 BEAB CN(CC(F)(F)F)C(=O)OC(C)(C)C 82609744 LHYOGCYJFWGKNP-UHFFFAOYSA-N 213.199 2.416 0 40 BEAB CCOc1cc(-c2nc(C3CC3)n[nH]2)ccc1O 85384675 JHFZRRJEULQFIN-UHFFFAOYSA-N 245.282 2.453 0 40 BEAB C[C@H]1C[C@@H](CNC(=O)Nc2cccnc2)CCO1 95457623 KBLYHTUHHRWCNZ-QWRGUYRKSA-N 249.314 2.018 0 40 BEAB CCOCCOc1ccc(OC)c(C)c1 96007427 KDMDDHQTXNWUIK-UHFFFAOYSA-N 210.273 2.419 0 40 BEAB COCc1nc(C(=O)OCC2CCC2)cs1 96442560 VGEIIADCUQDMQO-UHFFFAOYSA-N 241.312 2.246 0 40 BEAB O=C(Nc1ccncc1F)C1CCCC1 96485253 JHJAOHXEDJIHFW-UHFFFAOYSA-N 208.236 2.349 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 96510102 NEHLWIPUDJGCPW-GHMZBOCLSA-N 228.288 2.116 0 40 BEAB Nc1nc(S[C@@H]2CCc3ccccc3C2)n[nH]1 97103004 JNNHVGTYZVMHDT-SNVBAGLBSA-N 246.339 2.037 0 40 BEAB Cc1ccc(N/C=C\c2cc[n+]([O-])cc2)nc1 104094509 PUOHODOHCWFMNW-DAXSKMNVSA-N 227.267 2.106 0 40 BEAB COC(=O)c1cccc(C(=O)C(C)C)c1 113555224 SKKDCFOCMISBFH-UHFFFAOYSA-N 206.241 2.312 0 40 BEAB CCOC[C@@H](C)OC(=O)c1cc(Cl)cn1C 190703950 OSYSKNLSRPBYNE-MRVPVSSYSA-N 245.706 2.260 0 40 BEAB NCCCSc1ccc2c(c1)CCC(=O)N2 218804138 DZYRYARSJDIJMQ-UHFFFAOYSA-N 236.340 2.012 0 40 BEAB CC(C)CC(=O)N[C@@H]1C[C@H](C)O[C@@H]2CCC[C@@H]12 257299830 RRTDPMFGCOFGEP-WUHRBBMRSA-N 239.359 2.495 0 40 BEAB c1ccc([C@@H]2CN(c3cccnc3)CCO2)nc1 257326015 WVLCGCOYIWKQGR-AWEZNQCLSA-N 241.294 2.055 0 40 BEAB CC(C)CC(=O)N[C@H]1CCC12CCOCC2 585409426 RYEGVGDSFXKDRI-NSHDSACASA-N 225.332 2.108 0 40 BEAB Cc1cccnc1OC[C@@H]1CCCOC1 585654984 POFZUZNNWFKRPT-LLVKDONJSA-N 207.273 2.195 0 40 BEAB Cn1cc2c(O)cc(Br)cc2n1 1083813812 NQWDGCJMQLZHFC-UHFFFAOYSA-N 227.061 2.041 0 40 BEAB COC[C@@H]1Cc2cc3c(c(N)c2C1)CCC3 2113469522 HKAPMBAMUIUWDO-SECBINFHSA-N 217.312 2.119 0 40 BEAB Cc1nn(-c2ccccc2)c2nc(N)sc12 152023 PZUMTPJPVKRUHJ-UHFFFAOYSA-N 230.296 2.373 0 40 BEAB COc1ccc2nc(N(C)C)cc(N(C)C)c2c1 1573329 XTMAIECDEHPDSP-UHFFFAOYSA-N 245.326 2.375 0 40 BEAB CC[C@H](NC1=NCCO1)c1cccs1 1639248 ANMFSKZAOMFWOH-QMMMGPOBSA-N 210.302 2.175 0 40 BEAB CCn1nccc1C(=O)N1[C@@H](C)CCC[C@@H]1C 2781656 ZMPPDKFIWULAEH-QWRGUYRKSA-N 235.331 2.306 0 40 BEAB CCC(/C=C1\NC(=O)NC1=O)=C\c1ccccc1 5482072 NYJFYKHOIJZIGP-RFDRRPSGSA-N 242.278 2.203 0 40 BEAB O=C(CNc1cccc(Cl)c1)NC1CC1 9254888 KJRSDWUOCXFTTM-UHFFFAOYSA-N 224.691 2.031 0 40 BEAB CCOc1cc(CO)ccc1OC(F)F 14120928 VXMJDFNIBAXTPH-UHFFFAOYSA-N 218.199 2.179 0 40 BEAB in-vitro O=C(O)[C@@H](OCC(F)(F)F)c1ccccc1 19505089 LEPUWBXPJLLGGA-QMMMGPOBSA-N 234.173 2.391 0 40 BEAB CCCN(C[C@@H](C)O)C(=O)c1ccc(C)cc1 19691526 WNUARLCIWPPCQT-GFCCVEGCSA-N 235.327 2.228 0 40 BEAB Cc1ccc(CN[C@H](C(=O)O)C(C)C)cc1 19787740 XWDMATYLELXQKK-LBPRGKRZSA-N 221.300 2.194 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 25768054 ZTPUEFLZJJXUPA-RQJHMYQMSA-N 222.313 2.226 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(OC)c(F)c1 32736081 AXJARJJOWAEKRD-MRVPVSSYSA-N 225.263 2.363 0 40 BEAB O=C(Nc1ccnn1C1CCCC1)[C@H]1CCCO1 32739314 CDKWEUZIBORXAU-LLVKDONJSA-N 249.314 2.116 0 40 BEAB CCc1nnc(CN2CCc3ccccc32)o1 32863652 BJMLWOQZPFDMQV-UHFFFAOYSA-N 229.283 2.195 0 40 BEAB Cc1ccc(CN(C)C(=O)c2ccncc2)o1 33024028 FILGJBSQWZEWCK-UHFFFAOYSA-N 230.267 2.255 0 40 BEAB N[C@@H]1CCOc2c(F)cc(Br)cc21 34975020 LRPQGUQEFLAKSY-MRVPVSSYSA-N 246.079 2.371 0 40 BEAB C[C@H](NC1CCCC1)c1nnc2ccccn12 35044246 XEDZJBKFMCTCPC-JTQLQIEISA-N 230.315 2.323 0 40 BEAB CCOC(=O)c1cc(C)cnc1Br 39340755 PKLWSPZTPMXMIU-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB CSCCC(=O)NCCc1cccs1 40160167 BYOOVUSJZWFYGP-UHFFFAOYSA-N 229.370 2.160 0 40 BEAB CC(=O)n1cc2cc(Br)ccc2n1 40448079 RYKJIXYJUGUSAX-UHFFFAOYSA-N 239.072 2.459 0 40 BEAB C1CCC(Sc2nnnn2C2CC2)CC1 48285752 PJYCTJKHHSXUGN-UHFFFAOYSA-N 224.333 2.433 0 40 BEAB CCCc1ccc(C(=O)NCC2(CO)CC2)cc1 49029972 PLHJONDCOSOPAS-UHFFFAOYSA-N 247.338 2.141 0 40 BEAB CCc1ccc(-c2cc(CO)on2)cc1 57491567 ATKDQLVYVLVRAL-UHFFFAOYSA-N 203.241 2.396 0 40 BEAB NC(=O)c1ccnc(Oc2ccccc2F)c1 58167392 CZJXSAOIVMAGNR-UHFFFAOYSA-N 232.214 2.112 0 40 BEAB NC[C@@H](CO)Cc1ccc(Cl)c(Cl)c1 62711346 DDPPHPOMXBYDGG-QMMMGPOBSA-N 234.126 2.103 0 40 BEAB OCc1c(Cl)nc(C2CC2)nc1Cl 66327944 XVMOVSKQAQZKQT-UHFFFAOYSA-N 219.071 2.153 0 40 BEAB Cc1ccc([C@H]2CCCN2CC(=O)N(C)C)cc1 69379175 BFOZVPHOHGKTKQ-CQSZACIVSA-N 246.354 2.220 0 40 BEAB Cc1cccc(C(=O)N2C[C@@H](CN)CC[C@H]2C)c1 70180527 XCTOGZFARJHFEZ-CHWSQXEVSA-N 246.354 2.194 0 40 BEAB c1cc(CN2CCC[C@H]3CCC[C@@H]32)no1 75769022 OWLLHAAHGLCMJY-PWSUYJOCSA-N 206.289 2.439 0 40 BEAB Cc1cc(F)cc2c(C(=O)O)ccnc12 85400020 SRKHECSUKHXUBZ-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCCN[C@H]2C)c(C)c1 91496550 PDSPYQIDOYNZSL-GXTWGEPZSA-N 246.354 2.174 0 40 BEAB COc1cccc([C@@H](C)N[C@H](CO)C(C)C)c1 92392536 RBWGJACSZXORSM-BXUZGUMPSA-N 237.343 2.363 0 40 BEAB O=C1CC(=O)N(c2cccc3ccccc23)C1 93394587 FBFJDEOTRGBEGQ-UHFFFAOYSA-N 225.247 2.146 0 40 BEAB CC[C@H](O)c1cc(F)c(F)c(OC)c1 95729373 BKWQDBRZMVNXKS-QMMMGPOBSA-N 202.200 2.417 0 40 BEAB Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1 96300655 RMXOEQNBXVIPIR-UHFFFAOYSA-N 233.359 2.108 0 40 BEAB Cc1cccc(F)c1NC(=O)C1CCOCC1 96494076 KDEOTDXRKACVLN-UHFFFAOYSA-N 237.274 2.499 0 40 BEAB Cc1nc(Oc2ccccc2)cc(C(=O)O)n1 96524178 XSXHMXANNASETE-UHFFFAOYSA-N 230.223 2.276 0 40 BEAB CC[C@H](OC)c1ncc(CCOC)c(Cl)n1 96529194 BNKUFZKKZLBJTB-VIFPVBQESA-N 244.722 2.416 0 40 BEAB Cc1cccc(O)c1NC(=O)c1ccncc1F 97233745 PDGRBWXZTBUJKY-UHFFFAOYSA-N 246.241 2.487 0 40 BEAB CC(C)CSCCNc1ccn(C)n1 97237703 BCWRFCVTCJSLDB-UHFFFAOYSA-N 213.350 2.221 0 40 BEAB OC1(Cc2c(F)cccc2F)CCOCC1 166632695 XZLHURAFCZCDAY-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccco1 248825082 KCWRIZBNBAIIQF-DRZSPHRISA-N 249.310 2.053 0 40 BEAB OCCNc1c2c(cc3c1CCC3)CCC2 336676395 LSHNSNMQENIBMZ-UHFFFAOYSA-N 217.312 2.068 0 40 BEAB FC[C@H]1CCN(c2ncnc3sccc23)C1 882841584 ZPWKJIGIIOITJG-MRVPVSSYSA-N 237.303 2.487 0 40 BEAB OC1CC2(C1)C[C@@H]2NCc1cscc1Cl 897848946 RFCFFSRGMUIXCU-JZQLECPJSA-N 243.759 2.405 0 40 BEAB COc1ccc(CC(=O)Nc2cccnc2)cc1 304658 MQUBBMQYRRRRDN-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB O=C(NC(=O)c1ccccc1)c1ccccc1 1660129 ZHDORMMHAKXTPT-UHFFFAOYSA-N 225.247 2.257 0 40 BEAB CCCCc1ccc(N2C(=O)C=CC2=O)cc1 1789198 YLJPMCJDTAPPRX-UHFFFAOYSA-N 229.279 2.459 0 40 BEAB in-vitro CCOC(=O)c1c(C=O)c2ccccc2n1C 3913681 BZNCZFAUVNDYFF-UHFFFAOYSA-N 231.251 2.168 0 40 BEAB CC(C)NC(=O)c1cccc(NC(=O)C(C)C)c1 4722496 UNGLBDMKVHVQJT-UHFFFAOYSA-N 248.326 2.419 0 40 BEAB c1ccc2c(c1)CCc1ccccc1-n1nnnc1-2 5604645 UMHNXFHPRCMVKK-UHFFFAOYSA-N 248.289 2.428 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2cccc(N)c2)C1 20155035 MRPMDDJLSOHFFY-VXGBXAGGSA-N 246.354 2.316 0 40 BEAB Nc1ccc(F)cc1OCC(F)(F)F 22221094 KTJBWMIVXDHCNT-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB in-vitro Cc1nc(/C=C/C(=O)N[C@H](C)C2CC2)cs1 23042244 AVHSTTRNMOTGNT-HQZHTGGTSA-N 236.340 2.379 0 40 BEAB Fc1ccccc1COCC1CCNCC1 28521999 OLWCJCRTCWXZDB-UHFFFAOYSA-N 223.291 2.342 0 40 BEAB N[C@@H](CC(=O)O)c1cc(Cl)cc(Cl)c1 37423972 MQEZPQHIAIRXQC-QMMMGPOBSA-N 234.082 2.468 0 40 BEAB C[C@H]1CCCN1C(=O)c1ccc(C(=O)O)cc1 37912490 BVHLEPXLUGVINU-VIFPVBQESA-N 233.267 2.009 0 40 BEAB CCOC(=O)NC(=S)c1ccccc1 39199136 CMLDIQZIMOKRFE-UHFFFAOYSA-N 209.270 2.108 0 40 BEAB Cc1ccn2cc(C(=O)N(C)CC3CC3)nc2c1 40555164 UQKUQNXKXZUGLL-UHFFFAOYSA-N 243.310 2.125 0 40 BEAB COc1cccc([C@@H](CO)N2CCCCC2)c1 41265841 HZKUDPSCWJQPEC-CQSZACIVSA-N 235.327 2.215 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc[nH]n1 42181751 IRUWACLWMSRHMO-SECBINFHSA-N 227.267 2.001 0 40 BEAB Nc1ccc(N2CCCCCC2)c(C(=O)O)c1 53992808 MFVAUMXIVHUYOK-UHFFFAOYSA-N 234.299 2.347 0 40 BEAB COc1ccc(C)c2c1N[C@@H]1NCCC1=C2 61997518 QMGLJNCHBDORJT-ZDUSSCGKSA-N 216.284 2.132 0 40 BEAB Nc1nccc(Br)c1Cl 71255970 RZMLRXSIZRAAAS-UHFFFAOYSA-N 207.458 2.080 0 40 BEAB in-vitro O=C(O[C@@H]1CCOC1)c1ccc(Cl)cc1 71883886 DHJDUNRDTGSXLY-SNVBAGLBSA-N 226.659 2.286 0 40 BEAB CCOC(=O)C[C@@](C)(NC)c1ccccc1 72210259 BIWNOQAEYMNSGI-CYBMUJFWSA-N 221.300 2.074 0 40 BEAB COc1cc(C)c([C@@H](O)c2ccccc2)cn1 72222982 OQILEJGLYQEGRG-AWEZNQCLSA-N 229.279 2.480 0 40 BEAB COc1ccc(-c2nc(C3CC3)no2)cn1 75609934 WDTLHKXCYLHEIL-UHFFFAOYSA-N 217.228 2.018 0 40 BEAB Cc1ccc(O)c(C)c1NC(=O)[C@@H]1CCCCN1 77287193 CVZXIWSYOWTQAS-NSHDSACASA-N 248.326 2.090 0 40 BEAB in-vitro Nc1c(C(=O)C(F)(F)F)ccc(F)c1F 78193008 DPOJHLXBXQUPHV-UHFFFAOYSA-N 225.116 2.292 0 40 BEAB C[C@H]1C[C@@H](CCN)CN1Cc1ccccc1 83254969 MNHIPMWKEKKGBU-GXTWGEPZSA-N 218.344 2.246 0 40 BEAB in-vitro O=C(O)c1ccc(C(=O)c2cccc(F)c2)o1 85394373 LSOAUYCXKABLGU-UHFFFAOYSA-N 234.182 2.348 0 40 BEAB CCn1cc(-c2noc(CN)n2)c2ccccc21 85397303 RIYXIUTYIQZDEE-UHFFFAOYSA-N 242.282 2.170 0 40 BEAB NCc1ccc(Cl)c(C(=O)O)c1Cl 91692743 LUCVJNNSEQBUMY-UHFFFAOYSA-N 220.055 2.150 0 40 BEAB c1ccc(-n2ncnc2[C@@H]2CCCCN2)cc1 96524336 HTDZCXQQSNLQTG-LBPRGKRZSA-N 228.299 2.082 0 40 BEAB COc1cccc(OCCn2ccc(C)n2)c1 97229732 KTVJOBUMUWCNGD-UHFFFAOYSA-N 232.283 2.279 0 40 BEAB BrC1=C[C@@H]2CC=CC[C@@H](C1)N2 100485357 ZBOJQGQSDVXMFH-IUCAKERBSA-N 214.106 2.346 0 40 BEAB CC1=NN=C2SC(c3ccccc3F)=N[C@@H]12 100960245 FPGUAQODDDSVRZ-VIFPVBQESA-N 233.271 2.476 0 40 BEAB CN(C)C(=O)C[C@@H]1CCc2ccccc21 104078790 CVFIGCUFBASMHJ-NSHDSACASA-N 203.285 2.195 0 40 BEAB CCCc1nc(Cn2ncc3c2CCCC3)no1 124534544 DLSBRTXHVLSPFQ-UHFFFAOYSA-N 246.314 2.146 0 40 BEAB CCO[C@H](CN)Cc1ccc(Cl)cc1 168223061 WRVVQMHGTVQXDV-NSHDSACASA-N 213.708 2.246 0 40 BEAB COC(=O)CCc1c(F)cc(F)cc1F 199556993 AZPKGQQLFANELK-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCN 215266318 KIHBGMMPOOXDGZ-WDEREUQCSA-N 242.363 2.228 0 40 BEAB CCCNC(=O)c1cnc(C(C)C)nc1C 222568317 MFZMWUWUKIACQW-UHFFFAOYSA-N 221.304 2.048 0 40 BEAB CCC[C@]12CCC(=O)N1[C@@H]1CCCC[C@H]1N2 251116469 HFBNSQOMCGXKBX-NQBHXWOUSA-N 222.332 2.020 0 40 BEAB Clc1ccc2c(c1)[C@@]1(CCN1)CCO2 306145664 MRYHUVDAQBTWAL-LLVKDONJSA-N 209.676 2.311 0 40 BEAB OCc1ccc(Cl)c(C(F)(F)F)n1 307183172 XCMXONFLOSGQLJ-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB CN(C)C1(C(=O)Nc2ccc3c(c2)CCC3)CC1 521395323 BVCVOHKVGQQOEN-UHFFFAOYSA-N 244.338 2.208 0 40 BEAB O=C(O)c1csc2ncnc(Cl)c12 575442078 NDDLDTYHYNPIOD-UHFFFAOYSA-N 214.633 2.043 0 40 BEAB CN1Cc2cc(-c3cccs3)cnc2C1=O 1888899236 PRJUUOULFPGNCU-UHFFFAOYSA-N 230.292 2.396 0 40 BEAB Oc1ccc(CCN2CCCCC2)cc1 1603964 CEHROLDZFZBIBK-UHFFFAOYSA-N 205.301 2.421 0 40 BEAB CCOC(=O)[C@H](C)[C@H](O)C1CCCCC1 1672472 DHUTYWZACOLLEJ-KOLCDFICSA-N 214.305 2.127 0 40 BEAB CC[C@H]1S[C@@](CC)(CC(C)C)C(=O)NC1=O 1705155 HFERNRCGYRDAFA-SKDRFNHKSA-N 243.372 2.350 0 40 BEAB CC(C)CC(=O)C(=O)OCc1ccccc1 2556615 SOVNRTNKFRLUDW-UHFFFAOYSA-N 220.268 2.345 0 40 BEAB CCOC(=O)/C=C(\COC)c1ccccc1 4963157 NNKULLAPSSXKKG-FMIVXFBMSA-N 220.268 2.280 0 40 BEAB CCCC(=O)N[C@H](CC(=O)O)c1ccccc1 5524528 YIAHNNXXFOPGRC-LLVKDONJSA-N 235.283 2.119 0 40 BEAB C[C@H](NC(=O)CCCC(=O)O)c1ccccc1 6249751 FHYJUEYRHAKUMQ-JTQLQIEISA-N 235.283 2.119 0 40 BEAB c1cc2c(cc1C1=NCCC1)OCCO2 6507539 HEOLYAHMQFENEY-UHFFFAOYSA-N 203.241 2.041 0 40 BEAB C[C@@H](C(N)=O)N(C)Cc1ccc2ccccc2c1 7500515 QEIFIMZJQMWYSP-NSHDSACASA-N 242.322 2.145 0 40 BEAB Nc1nnc(-c2cc(F)cc(F)c2)s1 8726698 BWBGVMZYFOEXCQ-UHFFFAOYSA-N 213.212 2.066 0 40 BEAB NCC[C@H](c1cccs1)N1CCCC1 11761648 LFEZDUSUPACDFK-SNVBAGLBSA-N 210.346 2.234 0 40 BEAB Cn1cc(COc2ccc(Cl)cc2N)cn1 12395454 ROGLTLPQWXTCTO-UHFFFAOYSA-N 237.690 2.235 0 40 BEAB O=C(OCC(=O)c1ccco1)c1cccc(O)c1 14169475 PIKHCFAWEHAHBS-UHFFFAOYSA-N 246.218 2.025 0 40 BEAB c1csc(-c2cn3ncccc3n2)c1 15020279 PASMWSYQOXVOJL-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)O 19423812 KHXCNDVMASKGJY-XPUUQOCRSA-N 237.230 2.118 0 40 BEAB Cc1cc(N)ccc1NC(=O)C1CCC1 20157078 MSHNDPSIVQBRIX-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB NC(=S)Nc1ccc(CN2CCCCC2)cc1 20160461 AWYBVNXEOXFKHD-UHFFFAOYSA-N 249.383 2.328 0 40 BEAB CC(C)c1nc(C(=O)O)c2ccccn12 20222656 DLOGDJFDUVGZKY-UHFFFAOYSA-N 204.229 2.156 0 40 BEAB CNc1cccc(I)c1 20359774 KWXWYCMFWSWUQK-UHFFFAOYSA-N 233.052 2.333 0 40 BEAB Nc1nc(-c2cccc(C(F)(F)F)c2)no1 22115098 MDOPZJDBIFNDGS-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB CCc1n[nH]c(N)c1-c1cccc(OC)c1 22126337 DTQNIXBOOKZXOV-UHFFFAOYSA-N 217.272 2.230 0 40 BEAB CCCCNC(=O)c1cnc2ccccc2n1 29513882 QYXJJXRZSITNEP-UHFFFAOYSA-N 229.283 2.160 0 40 BEAB CCOC(=O)/C=C\c1ccc(N2CCCC2)nc1 29786670 SHNSYRIPSIMQJU-VURMDHGXSA-N 246.310 2.258 0 40 BEAB C1CCCN(CC[C@H]2CCCNC2)CC1 34449441 PDCYDPHFWMESPA-CYBMUJFWSA-N 210.365 2.252 0 40 BEAB O=Cc1ccc(N2CCCC2=O)cc1Cl 35521706 YKXYZBFNQLTIQJ-UHFFFAOYSA-N 223.659 2.279 0 40 BEAB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C)C 37333559 XMBDJBGDUKIOFM-QMMMGPOBSA-N 211.692 2.473 0 40 BEAB O=C(O)Cc1cccc(F)c1C(F)(F)F 38529606 MQDCRGGUZQIVBB-UHFFFAOYSA-N 222.137 2.472 0 40 BEAB COC(=O)[C@H]1CCCCN1Cc1ccccc1 38868462 BFVMYXXBFRSMJP-CYBMUJFWSA-N 233.311 2.214 0 40 BEAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccncc1 40506284 IEMOBKHSBXHKPK-WCQYABFASA-N 248.326 2.218 0 40 BEAB Cc1csc(CNC(=O)CC(F)(F)F)n1 42749602 VQHHSFIPZQNCCU-UHFFFAOYSA-N 238.234 2.020 0 40 BEAB C[C@H]1CCCCN1CC[C@@H]1CCCNC1 42783356 ZMUWLWCDNLMCJL-STQMWFEESA-N 210.365 2.251 0 40 BEAB Cc1nc(-c2cccs2)ncc1C(=O)O 43557919 WAFGCTGFHXCIKL-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB COC[C@@H](C)NC(=O)C(C)(C)c1ccccc1 44896903 SGCAVNPOHXANHU-LLVKDONJSA-N 235.327 2.115 0 40 BEAB Cc1ccc(CS(=O)(=O)c2ccccn2)cc1 47620480 XQAVCJHXNRTNEB-UHFFFAOYSA-N 247.319 2.364 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)cc1 58246161 AHGMVIQBAQGAOM-VIFPVBQESA-N 245.282 2.177 0 40 BEAB Cc1cc(NC(=O)NCc2ccc(F)cc2)on1 58332162 ZIRQJQNEJWWJBC-UHFFFAOYSA-N 249.245 2.444 0 40 BEAB Clc1ccc2c3c([nH]c2c1)CNCC3 59791881 HNADPKXQWMJDSH-UHFFFAOYSA-N 206.676 2.467 0 40 BEAB CCOC(=O)[C@@H]1CCCN(c2ccccc2N)C1 62153054 GUALPRBXIVWFGX-LLVKDONJSA-N 248.326 2.048 0 40 BEAB Cc1ccc(C(=O)O)cc1-c1cn[nH]c1 67850113 KFBATMNIWVLWHX-UHFFFAOYSA-N 202.213 2.083 0 40 BEAB CCOC(=O)c1c(C)ncn1Cc1ccccc1 71780623 VMHZGTHFPOQSMQ-UHFFFAOYSA-N 244.294 2.417 0 40 BEAB Cn1cnc2c1CCN(CCc1cccs1)C2 72267653 UXGMCZVVSFLGLL-UHFFFAOYSA-N 247.367 2.082 0 40 BEAB CCC(CC)c1nc(CN2CCCC2=O)no1 72329946 RCUNXAHUSABLNJ-UHFFFAOYSA-N 237.303 2.096 0 40 BEAB Cc1ccnc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 72350793 OSUUGWPGIKIPEH-NSHDSACASA-N 247.342 2.495 0 40 BEAB C[C@@H]1CC(C)(C)n2c(=O)oc(=O)c3cccc1c32 72416614 UCQHSNLKMBMQKO-MRVPVSSYSA-N 245.278 2.197 0 40 BEAB Nc1nc2ccc3scnc3c2s1 75172780 QKDFGBUSMQNQNA-UHFFFAOYSA-N 207.283 2.488 0 40 BEAB Cc1ccc(O)c(C)c1NC(=O)[C@H]1CCCCN1 77287195 CVZXIWSYOWTQAS-LLVKDONJSA-N 248.326 2.090 0 40 BEAB in-vitro Cc1nsc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 78302829 HQHXOKQNBIWEDU-YIZRAAEISA-N 239.344 2.072 0 40 BEAB CC1CC(CN)([C@H](O)c2cccs2)C1 85396144 PZXICHOKQSKGFZ-LDGBHUKOSA-N 211.330 2.157 0 40 BEAB CC(C)n1ncc(C(=O)Nc2ccccc2)c1N 89893831 XJEHALSUUUUIDX-UHFFFAOYSA-N 244.298 2.299 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)CC1(N)CCC1 94293437 XSLCRJYBDDQQHH-LLVKDONJSA-N 244.338 2.236 0 40 BEAB CC(C)n1cc(-c2nc(CN)cs2)cn1 95093930 DCUFWJKJKSDORR-UHFFFAOYSA-N 222.317 2.046 0 40 BEAB Cc1ccc(C(=O)CCn2ccnc2)cc1 95348302 QNKCDQIFYWNORX-UHFFFAOYSA-N 214.268 2.465 0 40 BEAB in-vitro CN1CC[C@@]2(CCN(Cc3cccs3)C2)C1 96268653 FXAUFSFRSZAMEP-CYBMUJFWSA-N 236.384 2.276 0 40 BEAB COc1ccc(-c2ccc(O)c(C=O)c2)cn1 96312825 UWXPJTRLQFOGRZ-UHFFFAOYSA-N 229.235 2.275 0 40 BEAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@H]1C2 102584205 WPKAHZWKGMWFDM-GMXVVIOVSA-N 230.311 2.134 0 40 BEAB CC(C)[C@@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C 107273249 AYGAKZNBXDBMCG-MNOVXSKESA-N 242.363 2.369 0 40 BEAB CC(C)c1ncc(Cc2ccc(O)cc2)[nH]c1=O 142841157 OVNQNQOVBVQZCE-UHFFFAOYSA-N 244.294 2.190 0 40 BEAB in-vitro Cc1cc(O)cc(=O)n1Cc1cccc(F)c1 144020505 OUVCYSAHVBMLLZ-UHFFFAOYSA-N 233.242 2.050 0 40 BEAB c1ccc(C2CCN(C[C@H]3CCNC3)CC2)cc1 169798599 OHMAMUXDYVWLOM-AWEZNQCLSA-N 244.382 2.476 0 40 BEAB c1cncc(COc2cccc3c2OCCO3)c1 193712959 JPJACDVCMNKDKO-UHFFFAOYSA-N 243.262 2.432 0 40 BEAB C[Si](C)(C)c1cccc(C(=O)O)c1F 196206231 SBAHUFQVVALQGB-UHFFFAOYSA-N 212.296 2.069 0 40 BEAB NNc1ncnc2c1[nH]c1cc(Cl)ccc12 408712466 MHFHHICNJHPNDH-UHFFFAOYSA-N 233.662 2.050 0 40 BEAB c1ccc2c(-c3noc(C4CC4)n3)n[nH]c2c1 545712522 MGVJAHHPSHIFJA-UHFFFAOYSA-N 226.239 2.490 0 40 BEAB C/C=C1\[C@@H]2C=C(C)[C@@]1(N)c1ccc(O)nc1C2 584578233 IQHDXBSGUWMEJF-KDKBWWKWSA-N 228.295 2.020 0 40 BEAB OC[C@@H]1[C@H]2CC[C@@H](C2)N1Cc1ccccc1 1535490499 BJZCYPSEEBNGLR-MELADBBJSA-N 217.312 2.032 0 40 BEAB O=c1c2ccccc2nc2n1Cc1ccccc1-2 487559 LNLUVPQAOVPJBA-UHFFFAOYSA-N 234.258 2.425 0 40 BEAB biogenic Cc1cc(C)cc(NC(=O)c2ccc(O)nn2)c1 543859 YPMSTWXFQHTFTR-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB Cc1cnc(C(=O)Nc2cc(F)ccc2C)cn1 1367583 ZMSJVPSRADCHNW-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB C[C@H](C(=O)O)[C@]1(O)CCCCc2ccccc21 1594153 VYWMGWNCUHHHEM-QMTHXVAHSA-N 234.295 2.321 0 40 BEAB CCCOC(=O)COc1ccc(F)cc1 1732329 FYEIKWFPBFQRRC-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB C[C@H](Sc1nc2ccccc2s1)C(N)=O 3503925 JRRQJZJBWNDOKI-LURJTMIESA-N 238.337 2.262 0 40 BEAB CC(=O)c1cccc(N2CCCC2=O)c1 4218342 ZGDVMJMNNOENMN-UHFFFAOYSA-N 203.241 2.016 0 40 BEAB in-vitro CCCCCNc1ncnc2c(C)n[nH]c12 4771515 RUZQLRPRQPKGJL-UHFFFAOYSA-N 219.292 2.263 0 40 BEAB in-vitro Cc1nc(-c2cc3cccc(C)c3[nH]c2=O)no1 5818565 ZDXNSMWXQVMSPO-UHFFFAOYSA-N 241.250 2.195 0 40 BEAB CCCCCC[C@@H](C)NC(=O)N1CCOCC1 5860285 KJYSFADEIWGLMV-GFCCVEGCSA-N 242.363 2.387 0 40 BEAB COc1cc(NC(=O)[C@@H]2C[C@@H]2C)cc(OC)c1 6385974 YQRKNUWRPNIAAQ-QPUJVOFHSA-N 235.283 2.298 0 40 BEAB Cc1cc(CNC(=O)NC(C)C)ccc1F 12972538 HOWDPDPUQOYYOT-UHFFFAOYSA-N 224.279 2.342 0 40 BEAB CCOc1cnccc1Br 14982258 MMZIZYMZDAFOGC-UHFFFAOYSA-N 202.051 2.243 0 40 BEAB COc1ccccc1[C@@H](C)NC(=O)C1CC1 19935139 VGCITDJXJLOFTQ-SECBINFHSA-N 219.284 2.282 0 40 BEAB CCCNC(=O)c1cc(C)c2nc(N)sc2c1 20154869 XEGBTGSATPWWOM-UHFFFAOYSA-N 249.339 2.327 0 40 BEAB COC(=O)C[C@H](N)c1ccc2ccccc2c1 20577592 JFWNNOBLJXSMPG-ZDUSSCGKSA-N 229.279 2.403 0 40 BEAB COc1ccccc1NC(=O)c1cncs1 22073164 XCNUFFLZLLAJFO-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB O=C(O)c1ccc(Cn2cnc3ccccc32)o1 22161904 HHDKWKRXGFXJBH-UHFFFAOYSA-N 242.234 2.376 0 40 BEAB Cn1nc2c(c1NC(=O)c1cccs1)CCC2 23135645 BNKVDRWMFOZJAP-UHFFFAOYSA-N 247.323 2.223 0 40 BEAB C[C@]1(c2ccccn2)NC(=O)c2ccccc2N1 32666118 DKVAJKLDHDZPMD-CQSZACIVSA-N 239.278 2.110 0 40 BEAB Cn1cc(C=O)c(-c2cccc(F)c2)n1 36894413 FDJKFRKFHXBWTI-UHFFFAOYSA-N 204.204 2.039 0 40 BEAB C=CC(=O)N[C@H](C)c1c(F)cccc1F 37789948 VOSGBVJZCRCOIF-SSDOTTSWSA-N 211.211 2.328 0 40 BEAB CON(C)C(=O)c1cnc(Cl)c(Cl)c1 37975929 YZINVISHQNRXPV-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB CCc1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 43333822 AGTXHRWZPHSKJY-CYBMUJFWSA-N 248.326 2.238 0 40 BEAB CC1(C)CC(NC(=O)C2CCC2)CC(C)(C)N1 48412193 PNZHAOQCMSHQIN-UHFFFAOYSA-N 238.375 2.212 0 40 BEAB CC(C)NC(=O)Nc1ccc2nccnc2c1 48696942 GBFPFZBOWYVHFJ-UHFFFAOYSA-N 230.271 2.160 0 40 BEAB Cc1cc(Nc2ccccc2F)nc(N)n1 49468244 NVBZBDSKYDOTOY-UHFFFAOYSA-N 218.235 2.250 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 58393758 WHYVVYQRRWBCCY-GWCFXTLKSA-N 230.311 2.229 0 40 BEAB CC(C)NC(=O)c1ccn(-c2ccccc2F)n1 65402475 PLLSGPLDHZJGBG-UHFFFAOYSA-N 247.273 2.150 0 40 BEAB O=C(NCC[C@@H](O)c1ccccc1)c1ccco1 72242663 LHNWQIHHWYFMRC-GFCCVEGCSA-N 245.278 2.133 0 40 BEAB CN1CCC[C@@H](Cc2ccc(Cl)nn2)C1 72363350 LPIPZUYOUQPPNJ-VIFPVBQESA-N 225.723 2.014 0 40 BEAB Nc1c2c(nn1-c1ccccc1)CCCC2 76500214 AWXHPOLIQWMFKZ-UHFFFAOYSA-N 213.284 2.333 0 40 BEAB CCc1[nH]c(C=O)cc1Br 78582603 SMZASRHBOZVRAI-UHFFFAOYSA-N 202.051 2.152 0 40 BEAB COCc1noc([C@H]2CCOc3ccccc32)n1 83914987 QIJZDYGNJKIIPT-JTQLQIEISA-N 246.266 2.130 0 40 BEAB CC(C)CC1(CNC(=O)CCN)CCCC1 87308718 CZEDQKLYACZUSU-UHFFFAOYSA-N 226.364 2.058 0 40 BEAB CC(C)(C)N1C[C@@H](CO)O[C@H]1c1ccccc1 90697916 JERBWURCWWHQBK-STQMWFEESA-N 235.327 2.177 0 40 BEAB CC1CCC(CNC[C@@H](C)[S@](C)=O)CC1 95449364 MIINEVSPNZNRLW-KBMVZVDUSA-N 231.405 2.169 0 40 BEAB Sc1ccc(OCCN2CCCC2)cc1 95739419 DLEXKOGHDCBLGM-UHFFFAOYSA-N 223.341 2.450 0 40 BEAB CN(C)c1ccccc1N(C)C[C@@H]1CCOC1 95975840 XPBUUYWOVCOHQQ-LBPRGKRZSA-N 234.343 2.225 0 40 BEAB O=C(c1cncc(F)c1)N1C[C@H]2CC=CC[C@@H]2C1 96468101 VDYQYECSKBZRTD-GHMZBOCLSA-N 246.285 2.259 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CNCCn1ccnc1 97098511 HYQGDGLMTBINIF-KBPBESRZSA-N 233.359 2.465 0 40 BEAB NNCc1ccccc1Oc1ccccc1 199541163 CQIJZIKKNWZJEA-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB Cc1ncc(-c2nc(-c3ccco3)no2)cn1 216622455 CYPUYJHOYWYICG-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB Cc1ccccc1-n1ncc(C(=O)O)c1F 218309084 LQZCUCDKECFKOS-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB CCCCC(=O)Nc1ccc2c(c1)c(O)nn2C 257173649 UGLFCPFKHXIEFW-UHFFFAOYSA-N 247.298 2.408 0 40 BEAB Nc1nc(O)c2cc(-c3ccccc3F)[nH]c2n1 257198019 QKYFORPJOYPJII-UHFFFAOYSA-N 244.229 2.052 0 40 BEAB Cc1cnn(-c2ccc(C(C)(C)C)nn2)c1 1775966111 PVONBPMGHWYJLD-UHFFFAOYSA-N 216.288 2.268 0 40 BEAB COC(=O)c1cc(-c2ccccc2OC)on1 37052 CQYQVYUEFHKARR-UHFFFAOYSA-N 233.223 2.137 0 40 BEAB c1ccc2c(c1)nnn2CN1CCCCCC1 243970 CYJFVRRBTAKEIV-UHFFFAOYSA-N 230.315 2.265 0 40 BEAB CCCC(=O)Oc1ccc2ccc(=O)oc2c1 276430 KFOVMGGHBPBPSZ-UHFFFAOYSA-N 232.235 2.499 0 40 BEAB COn1c(-c2ccc(C)cc2)nc2ncccc21 1400187 FNZDMFGGCYRTCR-UHFFFAOYSA-N 239.278 2.465 0 40 BEAB Cc1ccc(C)c(C(=O)CCN(C)C)c1 1591169 SHYWLEIVOAVMQF-UHFFFAOYSA-N 205.301 2.438 0 40 BEAB CCN(CC)CCOC[C@@H](O)c1ccccc1 2012781 KIZBMGPQRBWTEO-CQSZACIVSA-N 237.343 2.078 0 40 BEAB CCCCCNS(=O)(=O)c1ccc(F)cc1 2058272 HIIRLHVIPGFLGV-UHFFFAOYSA-N 245.319 2.294 0 40 BEAB CCN(N)C(=S)Nc1cccc(C)c1C 3246041 BVHIJWKEWIJSQQ-UHFFFAOYSA-N 223.345 2.196 0 40 BEAB COc1ccccc1NC(=O)C1CCC1 3549341 ZVNCUWZGCQGYIX-UHFFFAOYSA-N 205.257 2.434 0 40 BEAB CCCC(=O)NCCc1cn2cccc(C)c2n1 4248458 UGWXPLKMRKGHKK-UHFFFAOYSA-N 245.326 2.102 0 40 BEAB CN1CCCC[C@H]1[C@H](O)c1ccccc1 4777749 JGAYLCZXGQAXQC-QWHCGFSZSA-N 205.301 2.204 0 40 BEAB biogenic,in-vitro CCc1c(C)[nH]n(-c2ccccc2)c1=O 6821706 MUMQRMXRZWZDEU-UHFFFAOYSA-N 202.257 2.036 0 40 BEAB c1ccc2[nH]c(CN3CCCC3)nc2c1 8701229 JGFCLFOKNDCXSK-UHFFFAOYSA-N 201.273 2.159 0 40 BEAB Cc1ccccc1N1[C@@H](C)CNC[C@@H]1C 11632598 NDHVNJMTOCZUEU-RYUDHWBXSA-N 204.317 2.182 0 40 BEAB Cc1ccc(C(=O)Nc2ccn(C)n2)cc1F 14899651 OCCUUAMLHUIHEI-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB Nc1ccc(Sc2ccccc2)nn1 15021757 ZVESEBXJNCNXPH-UHFFFAOYSA-N 203.270 2.210 0 40 BEAB CCCOc1ccc2c(c1)OC[C@@H](C(=O)O)C2 20281624 HTQUFYWZAANEMW-JTQLQIEISA-N 236.267 2.111 0 40 BEAB C[C@H](c1ccccc1)n1cnnc1S 20583457 IYZFIFLYDCCUFS-MRVPVSSYSA-N 205.286 2.176 0 40 BEAB Cc1nc(N)sc1-c1nc(C(C)C)no1 22121308 SJCWRMGHDJLTJI-UHFFFAOYSA-N 224.289 2.207 0 40 BEAB CCC[C@H](C(=O)OC)N1CCC[C@@H](C)C1 22538663 KXYNBVINDFDWQW-GHMZBOCLSA-N 213.321 2.060 0 40 BEAB CCN(Cc1cccc(N)c1)C(=O)C(F)(F)F 32627120 ZIXBGSZHILOFCT-UHFFFAOYSA-N 246.232 2.180 0 40 BEAB in-vitro O=C(c1ccc[nH]1)N1CCCCCCC1 32819019 UVGOEOXARWOQFG-UHFFFAOYSA-N 206.289 2.421 0 40 BEAB O=C(NCC1CC1)c1cncn1-c1ccccc1 32909808 LZBWHUCOBZMJAQ-UHFFFAOYSA-N 241.294 2.012 0 40 BEAB O=[S@@](O)c1ccc(Br)cc1F 36533441 DVNLJLMKYPGSIX-UHFFFAOYSA-N 239.065 2.169 0 40 BEAB c1cncc(CCNCc2cccs2)c1 37502659 SWXQQZKFRRUVJO-UHFFFAOYSA-N 218.325 2.475 0 40 BEAB COc1ccc(NC(=O)Nc2cnn(C)c2)cc1 43273261 NKUMMECDGLCSJF-UHFFFAOYSA-N 246.270 2.073 0 40 BEAB Cc1c(C(=O)O)oc2ccc(Cl)cc2c1=O 45929582 VINQIFRNULMLLI-UHFFFAOYSA-N 238.626 2.453 0 40 BEAB CC(C)NC(=O)N[C@@H](C)Cc1ccc(O)cc1 48922366 SJKIPJNJTHREBP-JTQLQIEISA-N 236.315 2.031 0 40 BEAB CCCS(=O)(=O)N[C@H](C)c1ccc(C)s1 48959769 BYNUAGBPHNCTGZ-SECBINFHSA-N 247.385 2.447 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCCc1cccc(O)c1 58129801 WLSDOQLGKJSPIT-GFCCVEGCSA-N 245.322 2.407 0 40 BEAB COCCCCC(=O)Nc1ccccc1O 58161981 PKVDNFVAEXYBQF-UHFFFAOYSA-N 223.272 2.147 0 40 BEAB Clc1ccc(CN[C@@H]2CCNC2)c(Cl)c1 72203695 ZLNSBBRQALYJSN-SNVBAGLBSA-N 245.153 2.445 0 40 BEAB Cc1nccc([C@@H]2CCCN(CC3CC3)C2)n1 72350797 SEOHCZWTMQGHPF-CYBMUJFWSA-N 231.343 2.374 0 40 BEAB O=C(O)CCc1c(F)cc(F)cc1F 75902138 GXHOHDFSURPGPL-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB CC(C)(CO)CCCNC(=O)c1ccccc1 79109836 KCXVOOXXRAHBMW-UHFFFAOYSA-N 235.327 2.215 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2N)C1 82327524 GQBQSJMZBRDDAB-GWCFXTLKSA-N 240.347 2.125 0 40 BEAB Cc1cccc(C)c1N1CCN(C)CC1 82713126 NHYJXISUOSCSJD-UHFFFAOYSA-N 204.317 2.055 0 40 BEAB Cc1ccc2ccc(CC(=O)O)cc2n1 82770102 BBTJMWBSZVPLSA-UHFFFAOYSA-N 201.225 2.170 0 40 BEAB O=C1CC(C(=O)O)(c2cccc(Cl)c2)C1 82999543 UBHNXRMPZIWOIC-UHFFFAOYSA-N 224.643 2.025 0 40 BEAB in-vitro COC(=O)c1ccc(C(=O)C2CCC2)o1 85394213 NVBTYQQECJISSG-UHFFFAOYSA-N 208.213 2.049 0 40 BEAB O=C(CC1OCCO1)C1CCCCCC1 85652295 KOTFJEAHUSZHFJ-UHFFFAOYSA-N 212.289 2.289 0 40 BEAB CCn1ccnc(Nc2ccc(C)cc2)c1=O 90997956 YLZQMQOTTLJVSW-UHFFFAOYSA-N 229.283 2.315 0 40 BEAB CC(C)COC[C@@H](C)NC(=O)NC(C)(C)C 95411237 XLESSHYBBLGKLF-SNVBAGLBSA-N 230.352 2.145 0 40 BEAB CC[C@H](CO)c1cc(OC)c(OC)c(OC)c1 95917665 SPXUUTMNIOIXLG-SECBINFHSA-N 240.299 2.198 0 40 BEAB COCCOc1cc(C)cc(C)c1C=O 96526251 BMBOHORLAYAAHS-UHFFFAOYSA-N 208.257 2.141 0 40 BEAB CCC[C@H](C(=O)N(CC)CCO)c1ccccc1 98075357 AHZIYYIKLKEOIX-AWEZNQCLSA-N 249.354 2.411 0 40 BEAB O=C1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100002174 RSUHKGOVXMXCND-STQMWFEESA-N 215.296 2.383 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@@H](C(C)C)CC[C@@H]1C 103210861 QEDHJKYYYBPRDH-WCQGTBRESA-N 226.316 2.437 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@H](C)O)cc1OC 108350610 ASXMOCXJDQURGK-GDPRMGEGSA-N 222.284 2.188 0 40 BEAB Cc1c(C(=O)O)ccc2c1SCCO2 199796805 VCLQCFPMJSFPIE-UHFFFAOYSA-N 210.254 2.178 0 40 BEAB CC[C@H]1C(=O)CCCN1C(=O)OC(C)(C)C 211452560 FIALHFQFLJBDQS-VIFPVBQESA-N 227.304 2.365 0 40 BEAB CN(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 249070536 YGLMVCVJLXREAK-LDMBFOFVSA-N 222.332 2.082 0 40 BEAB in-vitro Oc1cc(C(F)(F)F)nn1CC1CC1 257197899 MRZBUIVSPSRXEB-UHFFFAOYSA-N 206.167 2.018 0 40 BEAB C[C@H](CCCCO)N[C@@H]1CSC1(C)C 379666353 XHJOABHGVMIMJG-NXEZZACHSA-N 217.378 2.021 0 40 BEAB CC(C)(C)C(=O)N[C@@H]1CCC12CCOCC2 585406041 AMHNDBSZEYNNDT-SNVBAGLBSA-N 225.332 2.108 0 40 BEAB CCC1=NN([C@@H](C)c2ccncc2)C(=O)C1 634626972 RASUSNPKMCZWQP-VIFPVBQESA-N 217.272 2.141 0 40 BEAB COC(=O)c1cccc(-c2c(C)n[nH]c2C)c1 1240124479 GLNPJBJVOPJMGB-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB CCN(CC)C[C@H]1COc2ccccc2O1 674 BGWGNDUTMDMIKZ-NSHDSACASA-N 221.300 2.168 0 40 BEAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 218090 KZLUGLBSRLDCHB-KOLCDFICSA-N 246.310 2.027 0 40 BEAB COc1ccc2c(c1OC)CC(C(=O)O)=C2C 1706064 QLLIQQJBTUZBNJ-UHFFFAOYSA-N 234.251 2.118 0 40 BEAB CCn1ccc(CNCc2ccc(F)cc2)n1 2536099 XNTTUVLJLJDOOV-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB COCc1ccc2oc(C(=O)O)cc2c1 3653536 ROTJSHCJTQMNCA-UHFFFAOYSA-N 206.197 2.277 0 40 BEAB biogenic C[C@@H](O)c1ccc(Oc2cnccn2)cc1 4108383 VCRGSWFVKGVGHD-SECBINFHSA-N 216.240 2.322 0 40 BEAB CCCSc1nsc(NC(=O)CC)n1 4902398 XHBGDQMFERCBGL-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB O=C(O)[C@H]1CCCN1Cc1ccc(F)cc1F 8377346 TUKMZQWCGNQTCQ-LLVKDONJSA-N 241.237 2.014 0 40 BEAB COc1cc(C=O)ccc1N1CCCCC1=O 8470682 RKYFZGKGAFHANF-UHFFFAOYSA-N 233.267 2.025 0 40 BEAB O=C(O)C1(c2ccc(Cl)cc2)CCOCC1 9280606 YZVUFQFNZWNCPZ-UHFFFAOYSA-N 240.686 2.473 0 40 BEAB NCCn1nc(C(F)F)c(Cl)c1C(F)F 12357726 OEDNSCWKLABRAX-UHFFFAOYSA-N 245.607 2.370 0 40 BEAB O=S(=O)(NC1CCCCC1)C1CCCC1 16137875 JIGHIBPEGNRAIB-UHFFFAOYSA-N 231.361 2.181 0 40 BEAB CCNC(=S)Nc1ccc(O)c(Cl)c1 16971303 PBTONHXJZJYLPV-UHFFFAOYSA-N 230.720 2.352 0 40 BEAB Oc1ccc(CNc2ccccn2)cc1 19776921 JGOVHMYSXVVYMK-UHFFFAOYSA-N 200.241 2.399 0 40 BEAB CCCn1c(C)cc(Cl)c(C=O)c1=O 19945102 XRNFLWSTZHNWKQ-UHFFFAOYSA-N 213.664 2.033 0 40 BEAB Cc1nn(-c2ccccc2F)cc1C=O 20439432 VXZGQUKPGZDUMP-UHFFFAOYSA-N 204.204 2.132 0 40 BEAB Cc1ccccc1CN1C(=O)N[C@H](C(C)C)C1=O 25822339 HUDNBJYHKWXCRQ-GFCCVEGCSA-N 246.310 2.071 0 40 BEAB CC(=O)N1CCc2ccc(Br)cc21 34172660 BDKDQGYCFLQERH-UHFFFAOYSA-N 240.100 2.358 0 40 BEAB CN(C)[C@](C)(C(=O)O)c1cccc(Cl)c1 37357926 NIVNKZDEKMEUJP-NSHDSACASA-N 227.691 2.201 0 40 BEAB CN(C)[C@@H]1[C@H](N(C)C)[C@@H]2CC[C@@]1(C)C2(C)C 39738147 WWHMPEUSLLXFGZ-FMCLSXCISA-N 224.392 2.303 0 40 BEAB Cc1cnc(NC(=O)CCc2ccncc2)s1 40538642 RKUQHGQUOGUCLF-UHFFFAOYSA-N 247.323 2.418 0 40 BEAB CCCS(=O)(=O)Nc1cc(C)cc(C)c1 45929264 HNDDIWGXZPTWRQ-UHFFFAOYSA-N 227.329 2.455 0 40 BEAB COC(=O)c1c(N)cccc1C(F)(F)F 47202224 QBIKBSBCFBNSAO-UHFFFAOYSA-N 219.162 2.074 0 40 BEAB Cc1nc(C(=O)NCCCn2cccc2)cs1 49028434 MPTCQARCIJLZNJ-UHFFFAOYSA-N 249.339 2.073 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(-c2cccs2)n1 54700168 GPUFLMSTQAEFKW-QMMMGPOBSA-N 222.317 2.189 0 40 BEAB CN(C)CCNc1ccc(-c2ccccc2)nn1 55102108 IMNMRUUWFWQLPA-UHFFFAOYSA-N 242.326 2.117 0 40 BEAB CC[C@H]1CCCCN1C(=O)C1CCOCC1 58291327 VMKFKTVDSWHKOH-LBPRGKRZSA-N 225.332 2.204 0 40 BEAB O=C(NO[C@@H]1CCCCO1)c1ccc(F)cc1 58330486 RRPYJEFYXYUWSC-LLVKDONJSA-N 239.246 2.014 0 40 BEAB CC(C)(C)[C@@H](C(=O)O)c1ccc(N)cc1 71606973 OSZOLZPMHFHZQD-SNVBAGLBSA-N 207.273 2.483 0 40 BEAB CCCCCN1CCC(C2OCCO2)CC1 71910656 WIHOSXBRJZHTMJ-UHFFFAOYSA-N 227.348 2.262 0 40 BEAB CC(C)CN1CCC[C@@H]1c1ccc(N)nc1 72212365 VLAGACIWOOGJBS-GFCCVEGCSA-N 219.332 2.457 0 40 BEAB CC(C)(C)Sc1ccc(C(=N)N)nc1 79112069 VJJWVNKQYMEHBX-UHFFFAOYSA-N 209.318 2.256 0 40 BEAB in-vitro COc1nccc(I)c1C 88190117 WUMMUAHJMRIICX-UHFFFAOYSA-N 249.051 2.003 0 40 BEAB CCOCc1cncc(Br)c1 90413408 GEVSZPZCBIDGTA-UHFFFAOYSA-N 216.078 2.381 0 40 BEAB in-vitro CC(C)(C)C1CCC(C(=O)NC[C@@H]2CO2)CC1 95096964 WHMDVPBRKYTUSK-HTAVTVPLSA-N 239.359 2.354 0 40 BEAB O=C1CCCN1CCSc1cccs1 96409123 OEVGWCDFJZAAEC-UHFFFAOYSA-N 227.354 2.463 0 40 BEAB Cn1ccc2c(C(=O)O[C@H]3CCOC3)cccc21 98013023 ZQHPLXFXOAVDRH-JTQLQIEISA-N 245.278 2.124 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C 102339211 NTFGQJHSPLRJOX-QWRGUYRKSA-N 218.300 2.051 0 40 BEAB Cc1cnc(C(=O)O)cc1C(F)(F)F 115248080 UIJVSBRJTWKTEC-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB CNc1ncc(C(F)(F)F)c(Cl)n1 148437289 XXRLEJCWJGICPI-UHFFFAOYSA-N 211.574 2.191 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1CCC1 149616690 VVQCXDANOVWVQA-SECBINFHSA-N 243.303 2.107 0 40 BEAB Nc1cccc(CC(=O)Oc2ccccc2)c1 222870019 SJTOLVDNYIYTSX-UHFFFAOYSA-N 227.263 2.417 0 40 BEAB Cc1nc(NC(=S)NC2CC2)ccc1Cl 224029743 OASTWWDGRLILFR-UHFFFAOYSA-N 241.747 2.492 0 40 BEAB C[C@H](c1ccccc1)N1CC(=O)C2(CC2)C1 261507951 ODQFLTXVAZULNR-LLVKDONJSA-N 215.296 2.413 0 40 BEAB COC(=O)C12CCCC(CC(=O)O)(CC1)CC2 306145771 PPANCSFYBNIBFH-UHFFFAOYSA-N 240.299 2.365 0 40 BEAB c1cnc(CN[C@H]2C[C@H]3CC[C@H](C3)C2)nc1 711066638 FHZBVJILWPGHKJ-ZSBIGDGJSA-N 217.316 2.145 0 40 BEAB COc1ccc(C2=NC(C)(C)CO2)cc1OC 161384 LLBMTOGCQQKFAR-UHFFFAOYSA-N 235.283 2.259 0 40 BEAB COc1ccc([C@@H](C)NC2CCN(C)CC2)cc1 802054 UMEYLXKJXCYVOF-GFCCVEGCSA-N 248.370 2.440 0 40 BEAB O[C@H](Nc1nccs1)C(Cl)(Cl)Cl 1481750 MHDSRPZFJLLBKM-VKHMYHEASA-N 247.534 2.244 0 40 BEAB O=C(CC1(O)CCCC1)Nc1ccccc1 1615641 UZUSPGCQPVBGIG-UHFFFAOYSA-N 219.284 2.320 0 40 BEAB N=C(S)NN=Cc1ccc(Cl)cc1 1905240 FABQYDLGFZXBIK-UHFFFAOYSA-N 213.693 2.128 0 40 BEAB C[C@H](N)c1cccc(I)c1 3705620 UYKFZJRBIDHFAG-LURJTMIESA-N 247.079 2.311 0 40 BEAB CCCCOC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 8844771 RUFPVBGMFJWXNM-MELADBBJSA-N 243.391 2.142 0 40 BEAB CCCc1nnc(NC(=O)c2ccco2)s1 9087680 FUPAUHXMKAQGLL-UHFFFAOYSA-N 237.284 2.336 0 40 BEAB CC(=O)N1Cc2cc3ccccc3nc2C1 11535856 RBVDBXWGUKZVBJ-UHFFFAOYSA-N 212.252 2.097 0 40 BEAB COc1cc(C(=S)N2CCCC2)ccc1O 13127815 QQMDTPUGUVQTBF-UHFFFAOYSA-N 237.324 2.172 0 40 BEAB Nc1cc(F)ccc1NC(=O)c1ccco1 20157362 QHAYPVYALXQSAE-UHFFFAOYSA-N 220.203 2.253 0 40 BEAB CC[C@@H]1CCCCN1C[C@@H]1CCCNC1 20270228 YKMPYOXSVIFYBL-CHWSQXEVSA-N 210.365 2.251 0 40 BEAB CCC(=O)CC(=O)c1ccccc1OC 20375611 MUVYRUNOZKTLGO-UHFFFAOYSA-N 206.241 2.247 0 40 BEAB COC(=O)[C@@H](CN)Cc1ccc2ccccc2c1 20579509 XOPOIMLONUARDX-CQSZACIVSA-N 243.306 2.130 0 40 BEAB CC(=O)c1cccc(-c2nccn2C)c1 32598390 KWGFDLFPLBJIAF-UHFFFAOYSA-N 200.241 2.290 0 40 BEAB Cc1cccc(C(=O)N[C@@H](C)c2ccccn2)n1 32909338 QBCWVRLXOHXMEO-NSHDSACASA-N 241.294 2.276 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCc2ccccc21 32999932 VRHKNDXADWWYPA-GXSJLCMTSA-N 201.269 2.232 0 40 BEAB COC[C@@H](C)NCc1ccc(C)c(C)c1 34991606 MHKNWWGENAQDRG-GFCCVEGCSA-N 207.317 2.428 0 40 BEAB C[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 35477539 APKHOEQJTNPBQH-VIFPVBQESA-N 233.315 2.159 0 40 BEAB Fc1ccc2c(c1)CCC1(CCNCC1)O2 36141508 KTMLNYJPYQAEME-UHFFFAOYSA-N 221.275 2.273 0 40 BEAB Clc1ccc(CO[C@@H]2CCNC2)cc1 36142131 DKVSNPJCLMRHSM-LLVKDONJSA-N 211.692 2.219 0 40 BEAB in-vitro O=C(O)c1cc(OCc2ccccc2)ccn1 36896260 MKVBGJYWNVWGHX-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro Fc1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42772287 WYHZJQPOAKQUHM-MRVPVSSYSA-N 229.682 2.467 0 40 BEAB C[C@@H](CNC(=O)C1CC1)c1ccccc1 43700778 KIBRBVAOFNZNIH-JTQLQIEISA-N 203.285 2.316 0 40 BEAB C[C@H](NC(=O)CC(F)(F)F)c1ccncc1 44600683 NYANNXVURADCTD-ZETCQYMHSA-N 232.205 2.211 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCc1ccccc1F 45293371 CGUXFWWFPRLSKX-GXSJLCMTSA-N 221.275 2.140 0 40 BEAB CC[C@H](C)NC(=O)Nc1ccc(OC)nc1 48019291 ZSEVGHZUQFXQSF-QMMMGPOBSA-N 223.276 2.010 0 40 BEAB CCc1cc(Cl)nc([C@@H]2CCOC2)n1 51691305 LALAGZAUHHSUAH-SSDOTTSWSA-N 212.680 2.196 0 40 BEAB CCCC[C@H](CC)CNC(=O)[C@@H]1CCOC1 69311128 MHBDSUNABQRGHC-NWDGAFQWSA-N 227.348 2.356 0 40 BEAB C[C@H]1Cc2cc(Br)ccc2CN1 70653033 RMWFLRDIGQIIEJ-ZETCQYMHSA-N 226.117 2.483 0 40 BEAB in-vitro O=C(Nc1nncs1)C1(c2ccccc2)CC1 71831335 FWJLVSSFXLXNMN-UHFFFAOYSA-N 245.307 2.208 0 40 BEAB Cc1cc([C@H](C)O)cnc1Br 72221915 VNDUEENDOUZECN-LURJTMIESA-N 216.078 2.206 0 40 BEAB CCCC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 78985662 ZJHBMFOUTBXNMF-GFCCVEGCSA-N 237.347 2.424 0 40 BEAB COC(=O)[C@@H]1O[C@@]1(C)c1cccc(Cl)c1 85657577 DRJTWSSWHQHRLH-ONGXEEELSA-N 226.659 2.127 0 40 BEAB COC[C@@H]1CCCN1C(=O)Cc1ccc(C)cc1 96451646 FMDQVKPDRPCEQH-AWEZNQCLSA-N 247.338 2.175 0 40 BEAB CC[C@H](O)CN[C@H](C)c1cc(C)ccc1OC 96490817 LRLAEVJOQRHNKF-NEPJUHHUSA-N 237.343 2.425 0 40 BEAB C[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 97235823 RXOBDRVVAUZKKE-WDEREUQCSA-N 249.358 2.488 0 40 BEAB Fc1ccc2oc(N3CCCO3)nc2c1 97373494 NUILDHGPXCMUSF-UHFFFAOYSA-N 208.192 2.109 0 40 BEAB Cc1nsc(N2C[C@H](C)S[C@@H](C)C2)n1 98013801 CRVLPIOYCGVEOD-BQBZGAKWSA-N 229.374 2.177 0 40 BEAB COCC(=O)N1CCC(=Cc2ccccc2)CC1 98018696 GOXKJJNCZZRPAL-UHFFFAOYSA-N 245.322 2.339 0 40 BEAB CN(C)c1ccc(Br)cc1CO 169800852 QEKQQMGWENEYRE-UHFFFAOYSA-N 230.105 2.007 0 40 BEAB in-vitro Cc1cc(-n2ccnc2)cc(C2CCNCC2)n1 205694372 ZRRUKPCGLNGMFI-UHFFFAOYSA-N 242.326 2.043 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1cc(C)ccc1OC 225001350 PIFGLFPCIAKSNF-JTQLQIEISA-N 237.299 2.303 0 40 BEAB CNC(=O)c1cc(N)ccc1NCCC(C)C 225491829 DVADNDNRVVHYCD-UHFFFAOYSA-N 235.331 2.086 0 40 BEAB NCc1cc2c(F)cccc2nc1Cl 685937420 UAJNCTYHAIJLIB-UHFFFAOYSA-N 210.639 2.486 0 40 BEAB CCc1nnc2n1CCC[C@@H]2C1CCOCC1 899233450 IVTUSRMXCCFGFV-LLVKDONJSA-N 235.331 2.145 0 40 BEAB COC(=O)c1noc2c(Cl)cccc12 1536219784 BRIKSGYKDBWNOF-UHFFFAOYSA-N 211.604 2.268 0 40 BEAB Cc1ccc2nc(N3CC[C@@H](O)C3)sc2c1 1889101243 ZKNASHCLCTXGRY-SECBINFHSA-N 234.324 2.176 0 40 BEAB Clc1cnc(N2CCC2)c(N2CCC2)c1 2086805480 FGRQXKLQALVERW-UHFFFAOYSA-N 223.707 2.155 0 40 BEAB CNC(=O)CSc1nc2ccccc2cc1C 932880 VMDVUYFWQUBEJJ-UHFFFAOYSA-N 246.335 2.381 0 40 BEAB COCCNc1nc(=S)[nH]c2ccccc12 2932949 OAXFOZYJIUOBAH-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB C[n+]1c(CCCC(=O)O)sc2ccccc21 4137118 JKSYOTRGZPNUSP-UHFFFAOYSA-O 236.316 2.133 0 40 BEAB CC(C)CC(=O)NCCc1ccccc1 5497531 GIOFEZBLCNCEBN-UHFFFAOYSA-N 205.301 2.391 0 40 BEAB biogenic,in-vitro Cc1cc(C)cc(Nc2nc(C)cc(=O)[nH]2)c1 5625881 XYBMQHQSHBIYKX-UHFFFAOYSA-N 229.283 2.439 0 40 BEAB Cc1cc(COC(=O)c2ccc(C)c(O)c2)no1 9386793 PTZCFZGLKLRVIX-UHFFFAOYSA-N 247.250 2.354 0 40 BEAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H](C)O1 12409164 LRHCUXPHENVHGT-UVHIWXSVSA-N 245.322 2.336 0 40 BEAB O=C(O)[C@@H]1COc2ccc3ccccc3c2C1 20284404 WOGFRQYQWSZVJK-JTQLQIEISA-N 228.247 2.476 0 40 BEAB in-vitro Cc1ccccc1NC(=O)c1cccnn1 22073140 LTEDBXFJTBOVBS-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB Nc1nnc(COc2cccc3ccccc23)o1 26443184 MDUYSEODVOQXIS-UHFFFAOYSA-N 241.250 2.384 0 40 BEAB Cc1cccc(NC(=O)[C@H](C)n2cccn2)c1 28192869 FDDRQOTVGVJXRA-NSHDSACASA-N 229.283 2.391 0 40 BEAB Cn1cc(NCc2ccc(F)cc2F)cn1 35737907 MESATAXNJYJQSZ-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CCOC(=O)Cc1ccc(Cl)c(N)c1 39218872 GTXCCOLDXGKGPN-UHFFFAOYSA-N 213.664 2.028 0 40 BEAB CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 41194557 IBDMIFOARPMDBY-QWRGUYRKSA-N 225.332 2.203 0 40 BEAB Cc1cnc(C(=O)N(C)C2CCCCC2)cn1 42137037 JAWVKTLSUGSZDW-UHFFFAOYSA-N 233.315 2.190 0 40 BEAB Cc1oc(-c2cccc(F)c2)nc1CC(=O)O 49632721 JDVFTDGZEPNMNT-UHFFFAOYSA-N 235.214 2.416 0 40 BEAB Brc1ccc([C@H]2NCCS2)o1 50522690 YFFNWJYJTWVXIZ-ZETCQYMHSA-N 234.118 2.377 0 40 BEAB CCN1CCN(c2nccc3sccc23)CC1 59856101 ROZDAOFCXGDWGQ-UHFFFAOYSA-N 247.367 2.438 0 40 BEAB C[C@]1(C(=O)O)CCCN(C(=O)c2ccccc2)C1 62868170 PFWPNYSMOFPUPV-AWEZNQCLSA-N 247.294 2.014 0 40 BEAB in-vitro CCCN1CC[C@H](CNc2ccccn2)C1 65487806 RVXZWQLWNHNJPN-GFCCVEGCSA-N 219.332 2.225 0 40 BEAB CCOC(=O)c1nc(C)[nH]c1[C@@H]1C[C@@H]1C 66339148 GQNIWBMKBWLDTC-POYBYMJQSA-N 208.261 2.018 0 40 BEAB CN1CCC(COc2ccc(F)cc2N)CC1 67800765 GWIBBCORHHLHEA-UHFFFAOYSA-N 238.306 2.129 0 40 BEAB C[C@H](c1ccncc1)N1CCSCC1 71893067 OHOWMNQSAMGTQF-SNVBAGLBSA-N 208.330 2.191 0 40 BEAB Cc1nc(Cl)cc(Sc2ncc[nH]2)n1 76064202 PFBDNGWFUSFGKX-UHFFFAOYSA-N 226.692 2.313 0 40 BEAB Cc1ccsc1CN(CC(=O)O)C1CC1 79421951 NAUGRGUVJICDPC-UHFFFAOYSA-N 225.313 2.106 0 40 BEAB CC[C@H](C)C(=O)NCC(=O)O[C@@H](C)CC(C)C 84721272 GDODYPIUPOBQBO-QWRGUYRKSA-N 243.347 2.127 0 40 BEAB Cc1ccc(CCc2nc([C@H]3CCOC3)no2)o1 89652927 CCCUNAHVYUXITP-JTQLQIEISA-N 248.282 2.260 0 40 BEAB CCCn1cc(NCc2ccnn2CC)cn1 90190854 VRJNJHCFAAMARR-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB CC(=O)N[C@@H](C)Cc1ccc(C)cc1C 95394133 ZOTMDMYEQFVJQU-NSHDSACASA-N 205.301 2.371 0 40 BEAB CCCCNC(=O)Nc1nc(COC)cs1 96435564 OCDWYFKNYKGOPR-UHFFFAOYSA-N 243.332 2.211 0 40 BEAB C[C@H](N[C@H](C)c1c(F)cccc1Cl)C(N)=O 96492351 FJKYFTDBGHQDKQ-RQJHMYQMSA-N 244.697 2.004 0 40 BEAB CCc1cc(NC(=O)Cc2ccn[nH]2)ccc1C 97047604 CFGBKOPZIDJWBT-UHFFFAOYSA-N 243.310 2.462 0 40 BEAB Cc1ccccc1NC(=O)N1[C@H]2CC[C@H]1COC2 101467150 KZPBNRTZXKJCJT-RYUDHWBXSA-N 246.310 2.390 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCCO)C2 101548464 VBNALKJYFXTXIP-GVXVVHGQSA-N 211.349 2.173 0 40 BEAB C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CCCO1 102867007 LXOVAYKPBLLJIU-PEDHHIEDSA-N 221.344 2.356 0 40 BEAB COc1ccccc1[C@@H](NN)c1ccccc1 161808657 XZNMIXNFZCHNOU-AWEZNQCLSA-N 228.295 2.248 0 40 BEAB OCC(CC(F)(F)F)CC(F)(F)F 167645125 AHGLEYAJYLEUHN-UHFFFAOYSA-N 210.117 2.500 0 40 BEAB C[C@@H]1O[C@@H]2CCC[C@H](CC(=O)O)[C@@H]2[C@@H]1C 242554696 MTYHLPGWADWHSZ-KNDBQHFLSA-N 212.289 2.301 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2N)O1 252528003 DXOFCJWXXLMFIJ-OKNNCHMLSA-N 223.238 2.080 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cc(Cl)nc(C)n1 257217330 CYMVMPWHHKGJRA-SNVBAGLBSA-N 239.706 2.122 0 40 BEAB CN1CCC[C@@H]1c1cccc(-c2ccnn2C)n1 257244342 IKWMNDVBUZZONA-CYBMUJFWSA-N 242.326 2.249 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12CCCNC2 306778323 OOQKLUARVRMVMW-ZWNOBZJWSA-N 240.347 2.043 0 40 BEAB COc1cc(F)c(F)cc1C(=O)C(F)F 379987726 WAESOXYWHDVGDK-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB CC(C)COCc1c(Br)cnn1C 408717329 YMEUMNRRVJFUII-UHFFFAOYSA-N 247.136 2.355 0 40 BEAB Cc1cccc(OC(=O)NC(C)(C)C)n1 618073231 RNZNDWFIQGRXIP-UHFFFAOYSA-N 208.261 2.277 0 40 BEAB Cc1ccc(N2C(=O)[C@@H]3CCCN3C2=S)cc1 217517 CAJVJVBMUUICPN-NSHDSACASA-N 246.335 2.091 0 40 BEAB Nc1cc[n+](C/C=C/c2ccccc2)cc1 480071 VLIHIUQTABWBFE-QPJJXVBHSA-O 211.288 2.270 0 40 BEAB CCCN1CO[C@@H](OCC)C(C)(C)C1 1561107 YXZRGBBOIIYUQF-SNVBAGLBSA-N 201.310 2.075 0 40 BEAB C[C@H](NCNc1ccc2ccccc2c1)C(=O)O 1562790 ZYBUKDDPDSFHHK-JTQLQIEISA-N 244.294 2.272 0 40 BEAB Nc1ccc2c(c1)[C@H](O)c1cccc(C(=O)O)c1-2 1713217 WFEKSIGFFQIXAN-CYBMUJFWSA-N 241.246 2.029 0 40 BEAB CCCC[C@H](CC)CNC(=O)CCC(=O)O 2084721 MYPCYAJYIBCWHR-JTQLQIEISA-N 229.320 2.184 0 40 BEAB biogenic C=CC(=O)NCCc1c[nH]c2cc(OC)ccc12 2135416 OENNVVDKDPKDKA-UHFFFAOYSA-N 244.294 2.021 0 40 BEAB Cc1ccnc(-n2sc3ccccc3c2=O)n1 3292855 IXQZKZKVGGJPMS-UHFFFAOYSA-N 243.291 2.151 0 40 BEAB CC(C)OC(=O)c1ccc2nc(N)sc2c1 3881161 BAKTWZARGBVQQH-UHFFFAOYSA-N 236.296 2.444 0 40 BEAB CC(=O)OCCCCn1cnc2ccccc21 7542336 ANMKNVAIVSIZER-UHFFFAOYSA-N 232.283 2.380 0 40 BEAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COC(C)(C)C)C1 7636312 ZBIFCFISTMMDTM-XQQFMLRXSA-N 243.391 2.140 0 40 BEAB O=C(O)C1CCN(CC2CCCCC2)CC1 8727503 JISGTMSKIUAWIR-UHFFFAOYSA-N 225.332 2.363 0 40 BEAB COc1ccccc1COC(=O)c1ccccn1 8878382 RHHXXGXBGLYCGV-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB C[C@@H](CO)NC(=O)Nc1cccc2ccccc12 12977305 ABGHUIZNIMFHLG-JTQLQIEISA-N 244.294 2.342 0 40 BEAB NC[C@H](c1ccco1)N1CCCCCC1 19702319 LKCYAUMUKKLMBY-LLVKDONJSA-N 208.305 2.155 0 40 BEAB Cc1ccc2nc(N3CCNCC3)sc2c1 19946376 IZULRPMDKNPVCZ-UHFFFAOYSA-N 233.340 2.014 0 40 BEAB OCc1cccc(OCc2cccnc2)c1 20031686 DKSXWGIRNSADEM-UHFFFAOYSA-N 215.252 2.153 0 40 BEAB CCCN(CCC)c1ncccc1CN 22223359 MMYQJYXBVRUVDC-UHFFFAOYSA-N 207.321 2.167 0 40 BEAB CC(C)[C@H]1CN(Cc2ccccc2)CCN1 23363466 HPOGZEGDXGTDSX-CQSZACIVSA-N 218.344 2.116 0 40 BEAB in-vitro c1csc(-c2nnc([C@H]3CCCNC3)o2)c1 26424249 JSMJZBNRYPYBSF-QMMMGPOBSA-N 235.312 2.265 0 40 BEAB Cc1cc(NC(=O)N[C@H](C)Cc2ccco2)no1 27351404 WUUFWCDIAXOVAQ-MRVPVSSYSA-N 249.270 2.329 0 40 BEAB COc1ccc(-c2cncc(CO)c2)cc1 35630044 KAZWQVHNKWXKGK-UHFFFAOYSA-N 215.252 2.250 0 40 BEAB C=CC(=O)Nc1cccc(NC(=O)CC)c1C 37013749 AJYBGOIWXHXHMB-UHFFFAOYSA-N 232.283 2.468 0 40 BEAB COc1cc(N)c(OC)c(Br)c1 38284402 GPCODUGWJGGDIV-UHFFFAOYSA-N 232.077 2.049 0 40 BEAB COc1ccc(-c2c[nH]c(C(=O)O)c2)cc1OC 38478323 LKKNDNXMQVCFNF-UHFFFAOYSA-N 247.250 2.397 0 40 BEAB CCCSc1nccc(C(OC)OC)n1 39351265 OLOXWDOAMVPHAD-UHFFFAOYSA-N 228.317 2.270 0 40 BEAB COC(=O)CCC(=O)Nc1ccc(C)cc1F 40050979 BTZSBRPXFYGHBU-UHFFFAOYSA-N 239.246 2.026 0 40 BEAB Cc1ccc(C(=O)O)c(-n2cccn2)c1C 40449007 TXZBPEUZGQVBIP-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB Cc1n[nH]c(C)c1CNC(=O)c1cccc(F)c1 41566851 IVVHOPNIYLRAJF-UHFFFAOYSA-N 247.273 2.096 0 40 BEAB Cc1cn(CC(=O)NCC2CC2)c2ccccc12 50558195 BMYPKPGTNXSUEB-UHFFFAOYSA-N 242.322 2.476 0 40 BEAB O=C(O)[C@H]1C[C@]12CCCc1ccccc12 52126547 WVRLFWFGLWUZBD-YPMHNXCESA-N 202.253 2.365 0 40 BEAB in-vitro CCN(C(=O)OC(C)(C)C)[C@H](C)CC(=O)O 61178388 IUUKGOAOKYNXBM-MRVPVSSYSA-N 231.292 2.107 0 40 BEAB Clc1ccc(CNC[C@H]2CCCN2)cc1 72202928 XYNRULYVFXCODS-GFCCVEGCSA-N 224.735 2.182 0 40 BEAB Cc1cc(CO)cnc1N1CCCCCC1 72222477 WLBLCNCQHGGBKS-UHFFFAOYSA-N 220.316 2.263 0 40 BEAB Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1C 75105310 FHTNMLKNQMUBEW-NSHDSACASA-N 220.316 2.192 0 40 BEAB Cc1ccsc1[C@@H](O)CNC(=O)C1CCC1 75155193 TYGWNJTYSATFNT-JTQLQIEISA-N 239.340 2.006 0 40 BEAB C[C@H](O)CCN(C)c1ncccc1C(F)(F)F 84637240 PSVBGICKCXNTAF-QMMMGPOBSA-N 248.248 2.308 0 40 BEAB CCCCNC(=O)[C@@H](C)N(C)CC(C)(C)C 84744499 JPJMHPZWXSHIPV-LLVKDONJSA-N 228.380 2.269 0 40 BEAB CCOC(=O)c1cc2c(Cl)nccc2[nH]1 85347719 GZQJASOEMRLVFZ-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB Fc1c(Cl)nc(-c2ncccn2)nc1Cl 87639101 XAUBTRWAFOYNKX-UHFFFAOYSA-N 245.044 2.380 0 40 BEAB Nc1cncc(-c2cccc3cnccc23)n1 88677411 VWYUSEOVIYWEFI-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB CNC(=O)CCc1cc(Br)cs1 89386078 CGQTZNKPBZIHDJ-UHFFFAOYSA-N 248.145 2.189 0 40 BEAB COc1ccc2[nH]c(C)c3c2c1CNCC3 94968096 GFZBDIKXFCCHEZ-UHFFFAOYSA-N 216.284 2.131 0 40 BEAB Cc1c(Cl)cnn1Cc1nccs1 95435657 JLNIPCIQOBBTDV-UHFFFAOYSA-N 213.693 2.350 0 40 BEAB O=c1cc(C(F)(F)F)cc(Br)[nH]1 95930372 HEJJLKHHMBHKOX-UHFFFAOYSA-N 241.994 2.156 0 40 BEAB CC(C)[C@@H](CCNC(=O)OC(C)(C)C)C(=O)O 96029363 WQZNLPWJNZRMIZ-SECBINFHSA-N 245.319 2.258 0 40 BEAB CC(C)(C)C1=NN(c2ccccn2)C(=O)C1 100988416 VNDTXGJXLHGDCR-UHFFFAOYSA-N 217.272 2.220 0 40 BEAB CCN(CC)[C@H](Cc1ccccc1C)C(=O)O 107843807 IHUODCPUTIRIQR-CYBMUJFWSA-N 235.327 2.333 0 40 BEAB Cc1cnc(C)c(NCC2(CCO)CCC2)n1 195563924 ZMZJLJUZSDMZPE-UHFFFAOYSA-N 235.331 2.058 0 40 BEAB O=C(O)C[C@H](NCc1ccccc1)C(F)(F)F 199765734 QOKYUTHXJJSBLE-VIFPVBQESA-N 247.216 2.182 0 40 BEAB C[C@H](O)[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 242614892 PLBQRFXDNOQHNE-UWJYBYFXSA-N 204.269 2.106 0 40 BEAB C[C@H](C[S@@](C)=O)NC[C@H](C)c1ccccc1 249042956 VKCHXNLTHSPBGM-HWWQOWPSSA-N 239.384 2.147 0 40 BEAB Cc1cc(CN(C)[C@H]2CCC[C@H]2F)no1 585386185 UZKNOWWXJMGRMS-MNOVXSKESA-N 212.268 2.305 0 40 BEAB CNc1ccccc1C(=O)NCc1ccco1 144249 VUTVIXXZPVGGHJ-UHFFFAOYSA-N 230.267 2.251 0 40 BEAB O=C(C1CC1)N1CCCC(c2ccccc2)=N1 1403353 CUIJWUQZLVJYRF-UHFFFAOYSA-N 228.295 2.423 0 40 BEAB CCCN(CCC)C(=O)CCCC(=O)OCC 1687956 GNLVQVJMCKVPJU-UHFFFAOYSA-N 243.347 2.368 0 40 BEAB Cc1cccc(OCCSc2nncn2C)c1 2664447 NWAXWVSYMJWMKW-UHFFFAOYSA-N 249.339 2.295 0 40 BEAB O=C(O)[C@H]1CCCN(Cc2cccc(F)c2)C1 3749333 VWUDHUJSDJLKJL-NSHDSACASA-N 237.274 2.122 0 40 BEAB in-vitro O[C@@H](c1cccnc1)C(F)(F)C(F)(F)F 4244913 XASFXLDZYRSUBH-LURJTMIESA-N 227.132 2.313 0 40 BEAB in-vitro O=C(Nc1onc2c1CCCC2)c1ccco1 8976558 LALDBUKQWJWMEB-UHFFFAOYSA-N 232.239 2.399 0 40 BEAB Cc1cc(C)c2c(c1)C(=O)C(=O)N2CC(C)C 11692647 QKILZONPHQDMNA-UHFFFAOYSA-N 231.295 2.489 0 40 BEAB CCCCC(=O)Nc1ccc(-n2cccn2)nc1 12545901 WFQHSKCKCAIPAS-UHFFFAOYSA-N 244.298 2.396 0 40 BEAB CCOc1ccccc1OC[C@H]1CCCNC1 14631173 UQUOUCIJKBLYMF-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB CC(=O)Nc1cccc(OC[C@H]2CCCNC2)c1 14631209 WLLRVYKCSNMWPF-LBPRGKRZSA-N 248.326 2.023 0 40 BEAB C[C@H](NC(=O)NC1CCCCC1)[C@H]1CCCO1 16972449 JBKLNOYKBRTWAA-CMPLNLGQSA-N 240.347 2.186 0 40 BEAB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccccc1F 19575158 NZRKNMWYVXNMMZ-OCCSQVGLSA-N 248.345 2.494 0 40 BEAB Cc1ccc2[nH]cc(CCC(=O)O)c2c1 20269209 AKIUYHHBFACIEZ-UHFFFAOYSA-N 203.241 2.494 0 40 BEAB in-vitro COc1ccc(CNc2cnn(C)c2C)cc1O 20352833 DHKZFWYWDJMPES-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB COC(C)(C)C[C@@H](C)NCc1ccncc1 20524649 PGWDDGQXMRQCIS-LLVKDONJSA-N 222.332 2.375 0 40 BEAB COc1ccc(CCc2nnc(S)o2)cc1 20584137 FXXNFHNRSXRRJS-UHFFFAOYSA-N 236.296 2.152 0 40 BEAB CC[C@@](C)(C(=O)OC)N1C[C@H](C)C[C@@H](C)C1 22123497 IMWNBBNBQVEZCR-WZRBSPASSA-N 227.348 2.306 0 40 BEAB CN(C)Cc1noc(N)c1-c1ccc(F)cc1 26512540 PBEQNHMLKOJUHB-UHFFFAOYSA-N 235.262 2.125 0 40 BEAB Cc1cc(C)n(CC(=O)Nc2ccccc2F)n1 31548339 LGNNTFQNZDPNQY-UHFFFAOYSA-N 247.273 2.278 0 40 BEAB CCCNC(=O)c1cc2c(s1)CCC2 32720089 LEBKCDKEYFGKAD-UHFFFAOYSA-N 209.314 2.377 0 40 BEAB Cc1ccc(-c2n[nH]cc2CNCC2CC2)o1 37187354 WTVLXYQETZRVJP-UHFFFAOYSA-N 231.299 2.478 0 40 BEAB COc1cc(C(F)(F)F)ccc1CN 38529725 FEOVMOIWRLRBFP-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB COc1ccc(CO)c(C(F)(F)F)c1 38529802 MEQLJIHKRJZDPW-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB in-vitro CCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 41421352 JXAZHVIHWHSOHA-YPMHNXCESA-N 233.311 2.385 0 40 BEAB C[C@@H](NC(=O)Nc1nccs1)c1cccnc1 42757368 WQOOTGBQYOQVPB-MRVPVSSYSA-N 248.311 2.421 0 40 BEAB CCC[C@H](C(=O)NCCOC)c1ccccc1 46463604 OVZUPYBHDWFVNN-ZDUSSCGKSA-N 235.327 2.333 0 40 BEAB O=C(O)Cc1coc(-c2ccc(F)cc2)n1 49563595 NSXNTASTGRAOHP-UHFFFAOYSA-N 221.187 2.108 0 40 BEAB in-vitro C[C@]1(c2c(F)cccc2F)C[C@H]1C(=O)O 52126512 KEZWLMCNLNEKOA-KGFZYKRKSA-N 212.195 2.327 0 40 BEAB in-vitro O=C(O)C[C@H](c1ccccc1)N1CCCC1 57500159 WCQOIOOELNYCFG-GFCCVEGCSA-N 219.284 2.298 0 40 BEAB CCCN1CCCC[C@@H]1c1ccc(=O)[nH]c1 68590739 DHHLBVKLGLWDMJ-GFCCVEGCSA-N 220.316 2.312 0 40 BEAB CC(=O)c1c(C)cc(C)c(C(C)=O)c1O 68675284 FGTWYZVCQHZFQX-UHFFFAOYSA-N 206.241 2.414 0 40 BEAB COc1ccc2ccc(S(=O)(=O)O)cc2c1 72202802 CKARHIGQRRNVFD-UHFFFAOYSA-N 238.264 2.095 0 40 BEAB CNc1cc(C)c([C@H](N)c2ccccc2)cn1 72223066 BLWYEBPBLPGCDB-CQSZACIVSA-N 227.311 2.480 0 40 BEAB NC(=O)c1ccc(-c2ccc(N)cc2Cl)o1 73640416 DCRBVQGTGFWNDQ-UHFFFAOYSA-N 236.658 2.281 0 40 BEAB CC[C@H](C)[C@](C)(O)CNc1ccccn1 79002725 OBFAPYFPDNKHGS-CMPLNLGQSA-N 208.305 2.291 0 40 BEAB Cc1ccc(=O)n(Cc2ccc3c(c2)CCC3)n1 89610832 RTMDMBDVSVHGBE-UHFFFAOYSA-N 240.306 2.089 0 40 BEAB Cc1ccnc(NC[C@H](C)Cn2cccn2)c1 91452946 MBRLPPZNRHNIIB-LBPRGKRZSA-N 230.315 2.335 0 40 BEAB CCOc1c(C)cc(C(=O)OC)cc1C 95095314 CMYRQCXTDKTTBS-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB BrC1=NO[C@@H]2CCCC[C@H]12 95098329 FRMLJVTYXPWPDG-NTSWFWBYSA-N 204.067 2.284 0 40 BEAB COCCc1nsc(N2[C@@H](C)CC[C@@H]2C)n1 95449437 KVSSDKWSLXQMAG-IUCAKERBSA-N 241.360 2.104 0 40 BEAB Cc1cccc(C(=O)/C=C\C(=O)O)c1C 95727051 LVGYICAUYQCKQA-SREVYHEPSA-N 204.225 2.127 0 40 BEAB CC(C)(C)N/C=C1/N=C(c2ccccc2)OC1=O 95950738 NVPZVYZEFMRHQX-PKNBQFBNSA-N 244.294 2.220 0 40 BEAB CCOP(=O)(OCC)O[C@@]1(C)CCCN1 105431277 UTGYNNHVLXIXGN-VIFPVBQESA-N 237.236 2.284 0 40 BEAB Cc1c(Br)ccc(CO)c1F 169796221 YKJBUISQMKCZTM-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB Cc1cc(N2CCOCC2=O)ccc1Cl 199779568 SSEUHYYOXTUOMV-UHFFFAOYSA-N 225.675 2.012 0 40 BEAB Cc1cn[nH]c1[C@H]1CCCCN1Cc1c[nH]cn1 257238639 HLWYEULKPVAQBH-GFCCVEGCSA-N 245.330 2.168 0 40 BEAB OCCc1cc([C@@H]2CCCN2C2CCCC2)n[nH]1 257248460 JDTIAEWUOLVKHU-AWEZNQCLSA-N 249.358 2.024 0 40 BEAB COC1CCN(Cc2cccc(C)n2)CC1 334679505 RHGWEDFPZKRLHA-UHFFFAOYSA-N 220.316 2.001 0 40 BEAB O[C@@H]1CC[C@@H]1Nc1ncccc1C(F)(F)F 585297272 ABSCCCWWPOFMTL-JGVFFNPUSA-N 232.205 2.036 0 40 BEAB Clc1cnc(O[C@@H]2CCSC2)nc1 585650522 AUQBUIVFGVNQOU-SSDOTTSWSA-N 216.693 2.014 0 40 BEAB CC(C)Nc1nc(NC(C)C)[nH]c(=S)n1 2037397 ZHUKDYCLYXWRAV-UHFFFAOYSA-N 227.337 2.175 0 40 BEAB CCc1c(C)nn(-c2ccc(C(=O)O)cc2)c1O 4985167 CVBYMXQHKIRNQZ-UHFFFAOYSA-N 246.266 2.147 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 5555645 IUNLWISKZNCPQG-CBAPKCEASA-N 219.240 2.010 0 40 BEAB CCCCNC(=O)c1c[nH]c2ccccc2c1=O 5645952 APQQTNAPJVSBEI-UHFFFAOYSA-N 244.294 2.058 0 40 BEAB Cc1ccccc1[C@H](C)NC1=NCCO1 6491596 LSAVKNWLWCADEB-JTQLQIEISA-N 204.273 2.032 0 40 BEAB Cc1csc(S[C@@H](C)C(=O)NC(C)C)n1 7814646 KVBOEFRZKXHUET-QMMMGPOBSA-N 244.385 2.457 0 40 BEAB O=C1CCCC[C@@H]1n1nc(Cl)nc1Cl 9142783 KCNRLSHZFZVZNQ-YFKPBYRVSA-N 234.086 2.269 0 40 BEAB O=C(CCOc1ccccc1)Nc1cccnc1 9364472 GKBDRAVRWIOTGY-UHFFFAOYSA-N 242.278 2.489 0 40 BEAB CC(C)CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 12976157 HGJPEYBZGIMLCD-FOSCPWQOSA-N 237.343 2.154 0 40 BEAB CC(C)c1ccc(N2C(=O)[C@H]3C[C@H]3C2=O)cc1 13400525 OTHLLNJMIBXXIT-TXEJJXNPSA-N 229.279 2.319 0 40 BEAB COc1ccc(C=O)cc1OCc1ccccn1 13536157 FAWIBOZHABPVMM-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB CCC1CCC(NCCCN(C)C)CC1 19958186 HMBMWYXMYDFIKQ-UHFFFAOYSA-N 212.381 2.497 0 40 BEAB CCn1ccc(CNCc2ccccc2OC)n1 20349105 LXIMHVKSXUZNAR-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB Cc1nc(Cl)nn1-c1ccc(F)cc1 22125772 AWYVKYAWNNJVSW-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB CCNC(=O)[C@H](CC)Oc1ccc(F)cc1 22509810 OXBGUELUCVOQTJ-NSHDSACASA-N 225.263 2.119 0 40 BEAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(N)=O 27989632 LGLPSKCJXYYLMZ-XINAWCOVSA-N 208.088 2.063 0 40 BEAB in-vitro C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 31343615 GRKQWTRDLYRPKY-KCJUWKMLSA-N 217.268 2.216 0 40 BEAB Cc1ncc(CNC(=O)C2CCCC2)s1 32611485 MBIYFPVPGLYNRL-UHFFFAOYSA-N 224.329 2.258 0 40 BEAB CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38832127 JSGNIBHKHVBIFT-AWEZNQCLSA-N 246.354 2.035 0 40 BEAB CC[C@@H](C)n1c(CN)nc2ccccc21 40163804 QFWQUFYTCHABMK-SECBINFHSA-N 203.289 2.466 0 40 BEAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(F)cc1 40477849 WOEHZDWBYRIVDS-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CC(=O)c1ccccc1OC[C@H]1CCCNC1 42775762 BZLBMSIPUMHNEQ-LBPRGKRZSA-N 233.311 2.268 0 40 BEAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 44575026 RKDGWGVZONGCQA-GZMMTYOYSA-N 243.266 2.331 0 40 BEAB Cc1noc(NCc2ccc(F)cc2)n1 57353887 JQMSSTQLYVBHPT-UHFFFAOYSA-N 207.208 2.129 0 40 BEAB Cc1ccc2ccnc(N3CCN(C)CC3)c2c1 59855601 YXBAVUOLRQIXPA-UHFFFAOYSA-N 241.338 2.295 0 40 BEAB CC(C)(C(=O)O)c1cccc(F)c1F 69640243 NGWGGYWAVAOYGN-UHFFFAOYSA-N 200.184 2.327 0 40 BEAB NCCc1cccn1Cc1ccccc1 71508046 BNVBDINXRYYIJG-UHFFFAOYSA-N 200.285 2.038 0 40 BEAB COCCc1ccc(-c2cnc(C=O)o2)cc1 72219826 UIVWYNKXTMNHPY-UHFFFAOYSA-N 231.251 2.343 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN1C(=O)C(C)C 72361242 WDPHOBBHLACUPL-JTQLQIEISA-N 221.304 2.038 0 40 BEAB COCc1cccc(C(=O)O[C@@H](C)COC)c1 73835231 RCFJMCQZUICAJH-JTQLQIEISA-N 238.283 2.025 0 40 BEAB CN(C)C(=O)[C@H]1SCCc2ccccc21 79452015 QOSCZQIPHVIQHI-NSHDSACASA-N 221.325 2.105 0 40 BEAB O=C(O)c1ccncc1NCc1ccccc1 84501134 WQXQGYTXHBAVJS-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB c1cn2c(n1)[C@H](CNCc1cscn1)CCC2 84613351 IPZLFONVGNVKOA-JTQLQIEISA-N 248.355 2.007 0 40 BEAB CC[C@H]1CN(c2ncccc2Cl)CCO1 88700219 XYXQLBSLORLXMX-VIFPVBQESA-N 226.707 2.350 0 40 BEAB C[C@@H](CC(=O)N1CCCC1)n1cccc1 89894514 YDNPXXPRWRAUSL-NSHDSACASA-N 206.289 2.062 0 40 BEAB Cc1ncnc(N2CCOC3(CCCC3)C2)c1C 91551820 UAQUDVYDZNSIEP-UHFFFAOYSA-N 247.342 2.243 0 40 BEAB CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 93319257 BZOBBNCPEOXAOP-VIFPVBQESA-N 246.232 2.183 0 40 BEAB COCc1nsc(N2[C@@H](C)CC[C@@H]2C)n1 95978564 JLPOSRJRZSEDSJ-YUMQZZPRSA-N 227.333 2.062 0 40 BEAB C[C@H]1CCc2cc(F)ccc2N1CC(=O)O 96517471 SALKUWQINVXRJV-QMMMGPOBSA-N 223.247 2.051 0 40 BEAB C[C@@H]1C[C@]1(CN)[C@H](O)c1ccc(Cl)cc1 96527184 FMRUFLXRUIWCBX-GGZOMVNGSA-N 225.719 2.358 0 40 BEAB Cc1ccc(C)c(NC(=O)N/C=C/C(=O)O)c1 222695117 CSHKLGCYMKRLPO-AATRIKPKSA-N 234.255 2.023 0 40 BEAB CC(C)NCc1cn(Cc2ccccc2)cn1 232661677 PFMWWDRTMPWQKU-UHFFFAOYSA-N 229.327 2.429 0 40 BEAB Fc1ccc(-c2noc(C3CCNCC3)n2)cc1 324410 WPHHMGBUPUGXDX-UHFFFAOYSA-N 247.273 2.343 0 40 BEAB CCOc1oc(OCC)c(C)c(=O)c1C 1577661 IBJMGHXTCMTSPN-UHFFFAOYSA-N 212.245 2.054 0 40 BEAB CC[C@@]1(c2ccccc2)S[C@H](C)C(=O)NC1=O 1752241 JYTPRLZRIWGPBD-RNCFNFMXSA-N 249.335 2.070 0 40 BEAB Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N 3159934 AYSLWAMPAPAUOQ-UHFFFAOYSA-N 241.294 2.412 0 40 BEAB Cn1c(=O)n(-c2ccccc2)c2ccccc21 3614555 VMKCXIJBSNPXCB-UHFFFAOYSA-N 224.263 2.329 0 40 BEAB CC1(C)[C@H]2CCC(=O)[C@H]3CC[C@](C)(O)[C@H]3[C@@H]21 4104723 WGGGLYPWFRDVEK-JJPZSOOWSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CC(C)N(C)CCOC(=O)c1ccc(F)cc1 4599061 ANVIOBIPQPNFPF-UHFFFAOYSA-N 239.290 2.323 0 40 BEAB CCC(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5440737 DJSOISKDOYSWSC-UHFFFAOYSA-N 246.310 2.470 0 40 BEAB COC(=O)CCC(=O)c1c[nH]c2ccccc12 5526137 DWAIOVAHORFQQZ-UHFFFAOYSA-N 231.251 2.304 0 40 BEAB COc1cccc(N2C[C@@H]3C[C@@H]4C=C[C@@]3(C2)O4)c1 5550375 KCWAFDRAFBJEFX-CQDKDKBSSA-N 243.306 2.229 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 5576700 ANBDXPWKDSKYHR-GZMMTYOYSA-N 233.267 2.068 0 40 BEAB O=C1CCC[C@H]2COc3ccc(O)c1c32 5813007 ZVQWOUKRMWTTAE-ZETCQYMHSA-N 204.225 2.235 0 40 BEAB COc1ccc2c(c1OC)CCCC2=O 7089693 JBHSDODMGMJWSE-UHFFFAOYSA-N 206.241 2.223 0 40 BEAB CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 8699913 HEJIYTVOUUVHRY-LBPRGKRZSA-N 247.294 2.377 0 40 BEAB in-vitro COc1cc(N2CCCCC2)ccc1CO 8701696 MEFWEDYMYQDLKC-UHFFFAOYSA-N 221.300 2.178 0 40 BEAB CC(C)(CC(=O)O)CC(=O)NC1CCCCC1 9850673 XAKYQDKEJCZDHK-UHFFFAOYSA-N 241.331 2.326 0 40 BEAB NCCc1nc(-c2cccs2)cs1 11887275 FPIAVINQILLWOD-UHFFFAOYSA-N 210.327 2.373 0 40 BEAB CCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 13017573 IUJQMXLMEZKLOA-UHFFFAOYSA-N 248.326 2.077 0 40 BEAB CCc1c(O)nc(-c2cccs2)oc1=O 16161175 LVPZETGKTSGKEN-UHFFFAOYSA-N 223.253 2.031 0 40 BEAB O=Cc1cc(Br)c2c(c1)OCCO2 17043787 HRSYWPMGIIAQIW-UHFFFAOYSA-N 243.056 2.033 0 40 BEAB CCCOC(=O)c1cc(N)ccc1OCC 20155742 IJEQAAOOFIZYGG-UHFFFAOYSA-N 223.272 2.234 0 40 BEAB Cc1c(N)ccc(SCCO)c1Cl 30714658 SMPOLIGEGYSTPO-UHFFFAOYSA-N 217.721 2.315 0 40 BEAB CN(C(=O)Cn1cccc1C=O)C1CCCCC1 33508758 RBYADKOPVUUCFV-UHFFFAOYSA-N 248.326 2.092 0 40 BEAB CCOC(=O)CCOc1ccc(F)cc1 36669116 JPNMRAFXXNBHSJ-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB COCCN(C)[C@H]1CCc2ccccc21 42635279 OKEFUCSXQUGFHV-ZDUSSCGKSA-N 205.301 2.252 0 40 BEAB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)no1 44698434 YXVSQPSJKZIKHS-UHFFFAOYSA-N 246.266 2.381 0 40 BEAB COc1ccccc1CNC[C@@H]1CCC=CO1 50267172 NVORKNDNRBFYSE-ZDUSSCGKSA-N 233.311 2.478 0 40 BEAB CNCc1cc(-c2ccc(C)c(C)c2)n[nH]1 50478959 DBPDEQVZBSLODS-UHFFFAOYSA-N 215.300 2.413 0 40 BEAB COC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC2 58278061 JQSSMOCERDXRHM-SNVBAGLBSA-N 248.326 2.332 0 40 BEAB CCCOc1c(F)cc(C(=O)O)cc1F 63003993 UOCSCYZYAQPWNB-UHFFFAOYSA-N 216.183 2.452 0 40 BEAB Cc1ccc(C)c(CN2CCCC[C@H]2C(N)=O)c1 65548611 VAIUPBVYGMNZLQ-AWEZNQCLSA-N 246.354 2.143 0 40 BEAB CC(C)Oc1ccc([C@H]2CCCN2)cn1 72211882 MOGGOPROCNNQJW-LLVKDONJSA-N 206.289 2.293 0 40 BEAB CC(C)CN1CCC[C@@H](c2ccncn2)C1 72361109 SXCPPZPZCNCMJW-GFCCVEGCSA-N 219.332 2.312 0 40 BEAB NC(=O)c1cc(Cl)c(Cl)nc1Cl 79058050 DBAVDGXPOXFHRC-UHFFFAOYSA-N 225.462 2.141 0 40 BEAB COCCNC(=O)NC1(c2ccccc2)CCC1 79334950 CFQOJNAFOYBEQE-UHFFFAOYSA-N 248.326 2.011 0 40 BEAB NCCc1ccc(-c2nccs2)cc1 82532190 PCYNWWKBSAAEGT-UHFFFAOYSA-N 204.298 2.311 0 40 BEAB CCOC(=O)c1c(C)cc(OC)cc1C 82723341 STLHRQGZDSZGHV-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB COC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 83884612 UXOKNDFGYDXGGN-VIFPVBQESA-N 247.216 2.268 0 40 BEAB in-vitro Cn1c(CC(=O)C(F)(F)F)nc2ccccc21 94169570 QVSKUPXEFIDDHU-UHFFFAOYSA-N 242.200 2.247 0 40 BEAB Cc1occc1-c1nc([C@H](N)C(C)C)n[nH]1 95534726 HUDZIHOBHVNLIH-SECBINFHSA-N 220.276 2.029 0 40 BEAB Cc1occc1C(=O)OCC[C@H]1CCCO1 96453103 KDINNICJJCFESV-SNVBAGLBSA-N 224.256 2.314 0 40 BEAB Cc1cc(C(=O)Oc2cccc(C)c2F)n(C)n1 96500188 CYRMHUPXPGQJBY-UHFFFAOYSA-N 248.257 2.395 0 40 BEAB COC[C@H](OC(=O)c1cncc(F)c1)C(C)C 97014685 WBFWMOINZJLVTP-NSHDSACASA-N 241.262 2.049 0 40 BEAB C[C@@H]1OCC[C@H]1Sc1ccc2nccnc2n1 97021247 AGQPHFRTFSHPNK-WCBMZHEXSA-N 247.323 2.294 0 40 BEAB CSCCCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101192100 FJPHIDDLQQDJHH-GARJFASQSA-N 225.357 2.068 0 40 BEAB CC(C)C1N2[C@@H](C(C)C)N[C@@H](C(C)C)N12 101223789 UBQIKKGERZTSPJ-APYNNFKBSA-N 211.353 2.069 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2NC(=S)S 104352296 TYGIKKCTXUVYPS-OPVBNTEQSA-N 243.397 2.185 0 40 BEAB CC[C@H](NN)c1cc(F)c(F)c(F)c1 161807426 JDCNPWIMCWXCTG-QMMMGPOBSA-N 204.195 2.018 0 40 BEAB N[C@H]1CCC[C@@H]1Nc1ccc(F)cc1F 218883862 KSZVCASZTHSWLG-ONGXEEELSA-N 212.243 2.257 0 40 BEAB FCCn1ccc(CNCc2ccccc2)n1 227153946 NNSCGZSDCWOXJS-UHFFFAOYSA-N 233.290 2.142 0 40 BEAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2 244183775 VKQOAGZLAPUKRD-DRZSPHRISA-N 230.311 2.134 0 40 BEAB Cc1cnccc1CN1CCC[C@H]1CF 295993891 KMASQVVGXIOAJV-LBPRGKRZSA-N 208.280 2.324 0 40 BEAB O=C(C1CCCC1)N1Cc2cccnc2C1 555536607 RNUPJRCMFQFBHK-UHFFFAOYSA-N 216.284 2.114 0 40 BEAB O=C(c1ccsc1)N1C[C@H]2C[C@H]1CS2 575616882 SBWKPQVQHNYPPJ-DTWKUNHWSA-N 225.338 2.078 0 40 BEAB C[C@@H](Oc1ccc2nccn2n1)C(F)(F)F 585651971 TWAWNTPWNDFOBF-ZCFIWIBFSA-N 231.177 2.059 0 40 BEAB C[C@@H](O)c1ccc(N)cc1C(F)(F)F 585672988 WXLFUUCWFLFTQZ-RXMQYKEDSA-N 205.179 2.341 0 40 BEAB NCC(=O)Nc1ccc(Oc2ccccc2)cc1 252353 OBZCGDXSJPVRFQ-UHFFFAOYSA-N 242.278 2.376 0 40 BEAB CCOC(=O)CNc1ccc(C)c(F)c1 1732045 LGKBGMWWFSHCGM-UHFFFAOYSA-N 211.236 2.109 0 40 BEAB CC(C)C[C@@H](C)NC(=O)c1ccncc1 2069507 TYHNTVMSQYIYFX-SNVBAGLBSA-N 206.289 2.246 0 40 BEAB CC(C)C(=O)NC(=S)N1CCc2ccccc21 2137047 GVDKBXHEOHGAOA-UHFFFAOYSA-N 248.351 2.106 0 40 BEAB C[C@H](COCc1ccccc1)CC(=O)O 4293841 UGBWZCMPGYFVDL-JTQLQIEISA-N 208.257 2.314 0 40 BEAB CC(=O)c1onc(-c2ccccc2)c1N 4770266 KGDNULKCLHSGRI-UHFFFAOYSA-N 202.213 2.126 0 40 BEAB COc1ccc2c(CC(=O)NC3CC3)coc2c1 8942082 RSACIPBKGKRMII-UHFFFAOYSA-N 245.278 2.263 0 40 BEAB O=C(Nc1ccccc1)N1CCCC[C@H]1CO 16489422 LWFQRGBCXGCCSI-LBPRGKRZSA-N 234.299 2.065 0 40 BEAB N[C@@H]1CCCN(CCCc2ccccc2)C1 19735526 FMZXIQOBASQCON-CQSZACIVSA-N 218.344 2.042 0 40 BEAB in-vitro Cn1ccc(NCc2cc(F)cc(F)c2)n1 20350245 POYMAKOUKGNQAT-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CNCCOc1ccc(C(F)(F)F)cc1 20595740 CTJMZUIJSJYWQJ-UHFFFAOYSA-N 219.206 2.304 0 40 BEAB Cc1ccccc1[C@H](CN)N1C[C@H](C)O[C@H](C)C1 22163983 KUIMRTKOXCKTBR-GUTXKFCHSA-N 248.370 2.104 0 40 BEAB Cc1c([C@@H](C)NC(=O)C2CCCC2)cnn1C 25006362 BHOISNYXIFTLCG-SECBINFHSA-N 235.331 2.096 0 40 BEAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(N)=O 27989622 LGLPSKCJXYYLMZ-INEUFUBQSA-N 208.088 2.063 0 40 BEAB Clc1ccc2nnc(-c3ccco3)n2n1 36903738 DKIRHRYJCPVVMS-UHFFFAOYSA-N 220.619 2.038 0 40 BEAB Cc1ccc(NC(=O)c2ccccn2)c(N)c1 37064645 YNXWZNCPCCYCOQ-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cc1cc(NCc2ccco2)nc(C)n1 37498653 UBMSHQGHJLLIOB-UHFFFAOYSA-N 203.245 2.299 0 40 BEAB Cc1nc(-c2ncccn2)nc(Cl)c1C 37947848 ITNNAWGNIVCWRJ-UHFFFAOYSA-N 220.663 2.204 0 40 BEAB Clc1ccc(OC2CNC2)c(Cl)c1 42769857 PMLDXMJQTBVTFZ-UHFFFAOYSA-N 218.083 2.344 0 40 BEAB Fc1ccc(CO[C@@H]2CCCNC2)c(F)c1 42782972 PEWNRHMXXWGOIB-LLVKDONJSA-N 227.254 2.233 0 40 BEAB COc1ccc(-c2n[nH]cc2CNC2CC2)cc1 48396580 IZIULWSHICUUFI-UHFFFAOYSA-N 243.310 2.337 0 40 BEAB CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1F 55004672 HRGPLBXYHZBXQI-BDAKNGLRSA-N 225.263 2.038 0 40 BEAB Cc1ccc(C[C@H](C(=O)O)N2CCCC2)c(C)c1 57536417 FIDBEYBCJLFPSF-CQSZACIVSA-N 247.338 2.395 0 40 BEAB Cc1cn(Cc2ccccc2Cl)nc1N 69606286 FPRIEMCAXFBLTH-UHFFFAOYSA-N 221.691 2.475 0 40 BEAB CCN(C)C(=O)NCCc1ccc(F)cc1F 71899854 SOTYZTLNGDUXPY-UHFFFAOYSA-N 242.269 2.169 0 40 BEAB C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cnccn1 72274697 UJRKNUKORQAHFI-NXEZZACHSA-N 233.315 2.031 0 40 BEAB COc1ccc(C2([C@@H](C)O)CC2)c(OC)c1 84420458 JQVABKFMPMWDTD-SECBINFHSA-N 222.284 2.116 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCCN[C@@H]2C)c(C)c1 91496548 PDSPYQIDOYNZSL-TZMCWYRMSA-N 246.354 2.174 0 40 BEAB O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1 95080423 OATQBSPRXZUSJZ-TXEJJXNPSA-N 229.279 2.023 0 40 BEAB CC[C@H](COC)NC[C@H](O)c1ccccc1C 95422342 ZATPCXWCWOUCTR-OCCSQVGLSA-N 237.343 2.043 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC1Cc2ccccc2C1 95423321 VTUGGFUQZCLTCX-HZPDHXFCSA-N 245.366 2.295 0 40 BEAB CN1CCC[C@]12CCCN(Cc1ccco1)C2 96214679 ZQJVTRPCCHAGGU-CQSZACIVSA-N 234.343 2.340 0 40 BEAB C[C@H](O)CN(Cc1ccccn1)c1ccccc1 96424173 YXKZUWCSNNFCOH-ZDUSSCGKSA-N 242.322 2.469 0 40 BEAB CC[C@H](O)Cc1cc(F)c(F)c(F)c1 96543534 WDJUXZHOBYMZIN-ZETCQYMHSA-N 204.191 2.417 0 40 BEAB O[C@@H](CNC1(c2ccccc2)CC1)C(F)(F)F 97378141 SMIHNBBQIAIBBM-JTQLQIEISA-N 245.244 2.189 0 40 BEAB CCc1cc2c(=O)[nH]c(CSC)nc2s1 98009496 WQMOWJYDIULBGD-UHFFFAOYSA-N 240.353 2.410 0 40 BEAB C[C@]1(CO)CCC[C@H]1Nc1ccccn1 98013797 DOBSILVWMKGTTF-ZYHUDNBSSA-N 206.289 2.045 0 40 BEAB O=C(O)c1ccc(OCCC(F)(F)F)nc1 98179762 ICBDXIVWIBZJLB-UHFFFAOYSA-N 235.161 2.111 0 40 BEAB N[C@H]1CC[C@H](Nc2ncnc3ccccc23)CC1 100582427 CJNYIVKKOKHUIN-PHIMTYICSA-N 242.326 2.312 0 40 BEAB Cc1nc(-c2noc3ccc(C(=O)O)cc23)co1 106860080 XGVBQAUWDZSHHL-UHFFFAOYSA-N 244.206 2.489 0 40 BEAB CCCN1C[C@H]2CC[C@H]1[C@H]2Oc1cccnc1 107806831 LTGRQUZUMNLTFE-XBFCOCLRSA-N 232.327 2.333 0 40 BEAB COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 116471244 UQKHHHRILLHNMU-BQBZGAKWSA-N 212.195 2.241 0 40 BEAB CC(C)(C)Cc1csc(NS(C)(=O)=O)n1 130332683 XXQHMKNVFHMFRO-UHFFFAOYSA-N 248.373 2.103 0 40 BEAB CCOC[C@H](C)OC(=O)c1sc(C)nc1C 190781552 YCTBCNLNEUABBU-ZETCQYMHSA-N 243.328 2.342 0 40 BEAB Cc1ccc(NC(=O)N/C=C/C(=O)O)cc1C 222695193 ZIQHVSBCQVDFDN-AATRIKPKSA-N 234.255 2.023 0 40 BEAB C[C@H](CSc1ccc(Cl)cc1)NN 228927968 XSHYKRFAQKXHPH-SSDOTTSWSA-N 216.737 2.284 0 40 BEAB COc1ccc(CNc2cnn(CCF)c2)cc1 256052479 NLXOEPWVNLYWLT-UHFFFAOYSA-N 249.289 2.473 0 40 BEAB O=C(NCc1cncc(C2CC2)c1)c1ccco1 575619920 PMRCKPYGGOQACM-UHFFFAOYSA-N 242.278 2.482 0 40 BEAB CCOC(=O)c1cc(C(C)=O)ccc1OCC 157024 YXLALZDDWWTPFS-UHFFFAOYSA-N 236.267 2.465 0 40 BEAB in-vitro Cc1cc(C)nc(N2CCC[C@@H](C)C2)n1 856599 FSURPMUKVDFEME-SECBINFHSA-N 205.305 2.330 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@]1(O)C=CCCC1 1675348 IDPCFIYJYAVFFE-JSGCOSHPSA-N 232.279 2.326 0 40 BEAB CCN1C[C@@H]2CCN[C@H]2c2ccccc21 2525386 VLWRWRLWJUVOTM-GXFFZTMASA-N 202.301 2.177 0 40 BEAB c1ccc2c(CNC[C@@H]3CCCO3)c[nH]c2c1 2554123 GUAGFSDMDPMFPI-LBPRGKRZSA-N 230.311 2.437 0 40 BEAB CCOC(=O)c1cc2cc(OC(C)=O)ccc2[nH]1 2583765 ZWHLFJOLMBDDER-UHFFFAOYSA-N 247.250 2.270 0 40 BEAB NP(N)(=O)C12CC3CC(CC(C3)C1)C2 3121485 MZXUFSXWQWCWMY-UHFFFAOYSA-N 214.249 2.066 0 40 BEAB O[C@H]1CCCN(Cc2ccccc2)CC1 4202941 DIIHLEFTHZLGSR-ZDUSSCGKSA-N 205.301 2.033 0 40 BEAB O=c1oc2ccccc2cc1-[n+]1ccccc1 4316027 ANBQPDZHJTWLDZ-UHFFFAOYSA-N 224.239 2.070 0 40 BEAB NC[C@@H](O)Cn1c2ccccc2c2ccccc21 4817269 VMSWVRRUBQSAGT-LLVKDONJSA-N 240.306 2.114 0 40 BEAB O=C1C[C@@H]2Sc3ccc(Cl)cc3N=C2N1 6222132 FIBMIUFYLLAFCX-QMMMGPOBSA-N 238.699 2.364 0 40 BEAB CN(C)Cc1ccc([C@@H](N)c2ccncc2)cc1 11832609 SQRUTHVJDRPFLH-OAHLLOKOSA-N 241.338 2.191 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 12552218 RSJZMGQYZPBNRA-MRVPVSSYSA-N 233.271 2.198 0 40 BEAB COC(=O)[C@H](N)c1cccc2ccccc12 20157514 LTASPYVMQCESLM-GFCCVEGCSA-N 215.252 2.013 0 40 BEAB CC(C)[C@@]1(C)N=C(c2ccccc2)N(C)C1=O 24718229 RAHKMFFMYKRDEW-CQSZACIVSA-N 230.311 2.320 0 40 BEAB CC(C)CC(=O)Nc1ccccc1-n1cncn1 28024136 ALCUGDQCPCXVFU-UHFFFAOYSA-N 244.298 2.252 0 40 BEAB Cc1nnc2[nH]c(-c3ccc(Cl)cc3)nn12 32176288 FSEQRGLAKVNUOD-UHFFFAOYSA-N 233.662 2.081 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](C)C2)n1 32873662 ZZUVVNXERJKIFV-NSHDSACASA-N 249.358 2.149 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)o1 33024050 HSLOQPQVCFLQIG-LDYMZIIASA-N 207.273 2.202 0 40 BEAB CN(C)c1cc(Br)cc2nonc12 35323609 LPAUHWKNXIYEHU-UHFFFAOYSA-N 242.076 2.051 0 40 BEAB CC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 35477542 SVQJHCHEDPDJCI-UHFFFAOYSA-N 233.315 2.159 0 40 BEAB Cn1c(C(=O)NC2CCCC2)cc2occc21 36358701 GALMTVXNVOIBAE-UHFFFAOYSA-N 232.283 2.444 0 40 BEAB Cn1cc(C(=O)O)c(C2CCCCC2)n1 37367245 LSVWZGCNANSDGR-UHFFFAOYSA-N 208.261 2.166 0 40 BEAB in-vitro O=C(c1ccc2c(c1)OCCO2)C(F)(F)F 43505021 OXHJGYGAXBWSOW-UHFFFAOYSA-N 232.157 2.203 0 40 BEAB CC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O 46801566 NPEKXVTWBDQQLV-UWVGGRQHSA-N 233.377 2.141 0 40 BEAB COc1ccc(C(F)(F)F)nc1OC 47218632 MGPXISRKWSAGKD-UHFFFAOYSA-N 207.151 2.118 0 40 BEAB CNC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 48650978 WRSHCVJREJVFBQ-GFCCVEGCSA-N 236.290 2.172 0 40 BEAB O=C(O)[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 49822697 FAWQZNACUZJAJY-SSDOTTSWSA-N 233.242 2.497 0 40 BEAB CCCC[C@H](CC)C(=O)N1CCNC[C@H]1C 54369956 UZXUDMYHJNOLBS-NEPJUHHUSA-N 226.364 2.023 0 40 BEAB CCOc1ccccc1[C@@H]1C[C@@H]1CNC 54588678 RIUBOBWEODBZEH-ZYHUDNBSSA-N 205.301 2.408 0 40 BEAB Cc1cc2sc(N)nc2c2sc(N)nc12 57327732 HFEYKDDGRTZSMT-UHFFFAOYSA-N 236.325 2.379 0 40 BEAB CCOc1ccc(CCN2CCC[C@H](N)C2)cc1 57956535 KCHCSZLLVFRWAA-AWEZNQCLSA-N 248.370 2.051 0 40 BEAB COCCCn1c(C(C)=O)nc2ccccc21 62702323 FVAOARBEPKXPES-UHFFFAOYSA-N 232.283 2.275 0 40 BEAB CC(C)c1ccc([C@H]2CNC[C@@H]2C(=O)O)cc1 69272486 STLUYUGBFMPPSI-OLZOCXBDSA-N 233.311 2.198 0 40 BEAB COCCN(C)[C@H](C)c1cccc(O)c1 71892980 BLGRCDBEHKPUQA-SNVBAGLBSA-N 209.289 2.031 0 40 BEAB NCc1c(F)c(F)cc(Br)c1F 75915313 XBEFZNFVHQJAIK-UHFFFAOYSA-N 240.022 2.325 0 40 BEAB Cn1ccnc1SCc1ccncc1 77896194 OVIJPJFDCJIBRE-UHFFFAOYSA-N 205.286 2.107 0 40 BEAB c1ccc2c(c1)C[C@H](CN1CCSCC1)N2 87655850 YMZYTNWAJQQRRN-GFCCVEGCSA-N 234.368 2.072 0 40 BEAB O=C(Nc1c(F)cc(F)cc1F)C1CC1 88724027 HHGBMMNVGQOYHN-UHFFFAOYSA-N 215.174 2.452 0 40 BEAB Nc1cc(C(F)(F)F)c2cn[nH]c2c1 89197357 QPDJJRYTDKWCAY-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB Cc1nc(-c2nc([C@H]3CCOC3)no2)cs1 96136500 LRELFJXAUICVLR-ZETCQYMHSA-N 237.284 2.005 0 40 BEAB CCCN(Cc1ccncc1)Cc1cnn(C)c1 96424636 BMDJHCHRTXRUEP-UHFFFAOYSA-N 244.342 2.227 0 40 BEAB C[C@@H](O)CCN(C)C(=O)Nc1cccc(F)c1 96441333 VRGIHIQLSMLRMZ-SECBINFHSA-N 240.278 2.060 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 98018822 UIVZHBPMADHSCH-TXEJJXNPSA-N 230.311 2.361 0 40 BEAB Cc1ncc2c(Br)cccn12 107212116 XDJPKFOZOPGWJM-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB O=C(NC1CCCC1)N1C[C@@H]2CCC[C@H]2C1 130417245 VRHFVEQFBGDWQJ-QWRGUYRKSA-N 222.332 2.371 0 40 BEAB O=C(O)CCc1conc1-c1ccc(F)cc1 169676696 MIWUWHGZDAYYOP-UHFFFAOYSA-N 235.214 2.498 0 40 BEAB NNCc1cccc(C(F)(F)F)c1Cl 199539797 CTPQFAXOBNMDGQ-UHFFFAOYSA-N 224.613 2.322 0 40 BEAB CC(C)(C)NC(=O)NC(=S)c1ccccc1 408730014 DDXBPPBSMRCZDG-UHFFFAOYSA-N 236.340 2.460 0 40 BEAB O=C(O)C1(C(F)(F)F)CC(F)(F)C1 606301723 ZGIJVVNYGUMTIL-UHFFFAOYSA-N 204.094 2.049 0 40 BEAB O=C(O)C[C@@H](n1ccc(C2CC2)n1)C(F)(F)F 685936612 KVBIFHVDJDRAAP-MRVPVSSYSA-N 248.204 2.339 0 40 BEAB O=C(O)c1ccc2c(c1)[C@@H]1CCC[S@@]1(=O)=N2 1565504704 AAJKUOKBOVUNMU-QFYYESIMSA-N 237.280 2.333 0 40 BEAB O=C(C1CC(F)C1)N1C[C@@H]2CC[C@H](C1)C2(F)F 1565547615 UNBVTKYQNCSSJJ-XWJSGITJSA-N 247.260 2.238 0 40 BEAB COc1cc(OCC(F)F)ccc1C=O 1776010760 ZZQIGEUGVBPHLJ-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB Cc1cc2ncn(C(=O)N(C)C)c2cc1C 152111 LOGRRSFULJAHBE-UHFFFAOYSA-N 217.272 2.183 0 40 BEAB NC(=O)NCCc1nc(-c2ccccc2)cs1 1415022 MWZKCRVFBBMNCJ-UHFFFAOYSA-N 247.323 2.021 0 40 BEAB CCCCCCOC[C@H](O)CN(CC)CC 1785044 OBPCRGNMWTVSSI-CYBMUJFWSA-N 231.380 2.286 0 40 BEAB CCOC(=O)CCC(=O)c1ccc(Cl)nc1 2392709 JLOMUGLRAOGWJH-UHFFFAOYSA-N 241.674 2.261 0 40 BEAB O=C1CCCCN1Cc1ccc(Cl)nc1 4089592 PTRUQENBDHGVDI-UHFFFAOYSA-N 224.691 2.248 0 40 BEAB O=C(CNCc1ccco1)Nc1ccccc1 4218905 NSQBJDBKAYSFTP-UHFFFAOYSA-N 230.267 2.008 0 40 BEAB in-vitro Cc1ccc(CNCCCn2ccnc2)s1 4243932 XQHQYJNQYWXGQJ-UHFFFAOYSA-N 235.356 2.433 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1 4666527 SIJBEDJNWKDAJV-PWSUYJOCSA-N 218.300 2.390 0 40 BEAB CCOc1ccc(NC(=O)/C(C)=C\C(=O)O)cc1 4746796 XKFPOICHSTXLIF-HJWRWDBZSA-N 249.266 2.055 0 40 BEAB Cc1n[nH]c2c1[C@@H](c1ccccc1F)N(C)C2=O 4909061 XDWKEJOBAMPAEY-GFCCVEGCSA-N 245.257 2.032 0 40 BEAB Cn1cccc1CNCc1cccs1 5019790 DTLOWNYORDYFBZ-UHFFFAOYSA-N 206.314 2.376 0 40 BEAB COc1ccc(NC(=O)c2ccccc2F)cn1 5199231 ZCVDDOSAVVHFHN-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB O=C(NCCc1c[nH]cn1)c1cccc(Cl)c1 5613682 YRYRNHMRUONZDX-UHFFFAOYSA-N 249.701 2.036 0 40 BEAB COCc1nc2ccccc2n1CCCC(=O)O 7467010 REWVEHLZLYFMMC-UHFFFAOYSA-N 248.282 2.048 0 40 BEAB Cn1ccnc1[C@H](O)c1ccccc1Cl 8709919 YKJDLUZWIWBUSF-SNVBAGLBSA-N 222.675 2.155 0 40 BEAB CC(C)Sc1ncc(Cl)c(C(=O)O)n1 8915966 UHVLDZOHDMDYAX-UHFFFAOYSA-N 232.692 2.329 0 40 BEAB Cc1cc2ncn([C@@H](C)C(=O)O)c2cc1C 10382616 VYZXMWIHJFIFBE-VIFPVBQESA-N 218.256 2.299 0 40 BEAB Cc1ccc(C)c(NC(=O)c2csnn2)c1 11914888 PYYBXHQURXOALH-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CCOC(=O)[C@@H](C)n1nc(C)c(Cl)c1C 12399031 OUJTYFQVVDBRPV-MRVPVSSYSA-N 230.695 2.277 0 40 BEAB COCCNCc1ccccc1Br 19881766 UGAPRRRYVWMHBQ-UHFFFAOYSA-N 244.132 2.185 0 40 BEAB CCNc1cc(OC)c(OC)c(OC)c1 19905372 VRIGZMIQTLFNRQ-UHFFFAOYSA-N 211.261 2.144 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1OC 20392376 WFCJJPNRPWWNHK-MNOVXSKESA-N 220.268 2.396 0 40 BEAB CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H](C)C1 20573111 FKAUWSRENDMFMI-AXFHLTTASA-N 212.337 2.472 0 40 BEAB CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N 23067646 OTEAAHFWYHMUIL-FRRDWIJNSA-N 205.301 2.296 0 40 BEAB Cc1cn2nc(NC3CCCC3)sc2n1 26691139 CBDQJCZPJIOJLP-UHFFFAOYSA-N 222.317 2.454 0 40 BEAB CO[C@@H](C)c1ccc(-c2cnc(N)nc2)cc1 32513782 WLAKRCALYMFHCG-VIFPVBQESA-N 229.283 2.433 0 40 BEAB C[C@@H]1C[C@@H](Sc2ccccc2)C(=O)O1 32736084 BFJMPYZVXRHURN-PSASIEDQSA-N 208.282 2.483 0 40 BEAB CC(C)C(=O)Nc1ccc([C@H](C)O)cc1 35646052 TVSSKBOCXORIBQ-VIFPVBQESA-N 207.273 2.334 0 40 BEAB Cn1cc(C(=O)O)c(-c2ccc(F)cc2F)n1 36894477 VGUNYHHEBPOGFC-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB in-vitro Nc1[nH]nc2ccc(-c3ccncc3)cc12 40935362 UTMCUTMEDJDDJZ-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB CCCNC(=O)Cc1ccccc1Cl 41782187 KRKPMXSPJPPNNQ-UHFFFAOYSA-N 211.692 2.409 0 40 BEAB Cc1cc(NC(=O)CC2CCCC2)[nH]n1 48602442 BPBHHHPZJAIELN-UHFFFAOYSA-N 207.277 2.237 0 40 BEAB CC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(C)C 48977651 YGOGSRDTNMWXPU-LLVKDONJSA-N 236.315 2.382 0 40 BEAB COCCN1CCC[C@@H]1c1cccc(OC)c1 54978923 SKEHVARUNOKKRZ-CQSZACIVSA-N 235.327 2.479 0 40 BEAB CC(=O)Oc1c(Cl)cc(C)cc1C(=O)O 57339568 KXWGFNQOSIYZHT-UHFFFAOYSA-N 228.631 2.272 0 40 BEAB CC(=O)N1N=C(c2ccc[nH]2)C[C@H]1c1ccco1 58047268 LRTPOBYXGBZPIY-LBPRGKRZSA-N 243.266 2.305 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@H]([C@@H](C)N)C1 70172667 KIHACNQAIPBFKJ-OLZOCXBDSA-N 246.354 2.194 0 40 BEAB O=C(O)c1cc(Cl)c2c(c1)CCCN2 72219694 JSQGMYAHTGCFPH-UHFFFAOYSA-N 211.648 2.396 0 40 BEAB CCN1CCC(c2nc(C)cc(N(C)C)n2)CC1 72361101 BFEPPCOBDONQPS-UHFFFAOYSA-N 248.374 2.050 0 40 BEAB Brc1cccc(N2CCC2)n1 72482117 ZHUXRIKRNRRWNF-UHFFFAOYSA-N 213.078 2.054 0 40 BEAB O=C(O)[C@H]1CCCN[C@@H]1C1CCCCC1 74148220 CBOZOKCIVVNMIY-WDEREUQCSA-N 211.305 2.020 0 40 BEAB CCn1c([C@@H](N)C(C)C)nc2cccnc21 82583491 FJQUKYJWRRCPLH-JTQLQIEISA-N 218.304 2.107 0 40 BEAB CCOC(=O)c1cc(C(C)=O)ccc1OC 85397452 FODNAOGTHHOUAE-UHFFFAOYSA-N 222.240 2.075 0 40 BEAB Cc1nc(C)c(-c2nc(-c3cccnc3)no2)o1 95468591 RYWJRVBXNWHDTQ-UHFFFAOYSA-N 242.238 2.403 0 40 BEAB CC(C)(O)c1cccc(C(F)(F)F)n1 95836914 APJOFHZRFJXSRS-UHFFFAOYSA-N 205.179 2.328 0 40 BEAB CCCN(CCC)C(=O)c1nc(C)ns1 96026083 VIBNLBKDIVRNMR-UHFFFAOYSA-N 227.333 2.109 0 40 BEAB CC1(C)C[C@@H](NC(=O)c2ccncc2)C(C)(C)O1 97046821 KHKKWQOFTZWGBE-LLVKDONJSA-N 248.326 2.158 0 40 BEAB CCOC(=O)[C@H]1CS[C@H](c2ccsc2)N1 98072891 LRDCRUIGTYLONY-RKDXNWHRSA-N 243.353 2.015 0 40 BEAB Brc1ccc2c(c1)[C@H]1O[C@@H]1C2 100235025 UAGHGQOZRFSNLO-RKDXNWHRSA-N 211.058 2.445 0 40 BEAB O=C(NCc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2 102584207 WPKAHZWKGMWFDM-GVXVVHGQSA-N 230.311 2.134 0 40 BEAB O=C1Oc2ccc(O)cc2[C@@H]1c1ccccc1 105627468 BRWDHRZYOYDXTG-ZDUSSCGKSA-N 226.231 2.443 0 40 BEAB COc1ccc(NC(=O)C(C)(C)C)c(C)n1 127784891 UVTDIWZOIUEYKM-UHFFFAOYSA-N 222.288 2.383 0 40 BEAB NNCc1cc(C(F)(F)F)ccc1Cl 199539832 LFRPKDRPNHSWCW-UHFFFAOYSA-N 224.613 2.322 0 40 BEAB NN[C@H]1CCCc2ccc(Br)cc21 199546538 CDELILABSFNWMS-JTQLQIEISA-N 241.132 2.290 0 40 BEAB CC[C@@H]1NCCC[C@H]1[C@@H](O)c1ccccc1 216536530 HTUWJVPCNGAXBL-RDBSUJKOSA-N 219.328 2.498 0 40 BEAB COc1c(C(=O)O)ccn2cc(Cl)cc12 217656704 ASEZPCXRJSCRTQ-UHFFFAOYSA-N 225.631 2.300 0 40 BEAB CN1[C@H]2CC[C@H]1[C@H](Cc1ccccc1)[C@@H](N)C2 252515176 HTVQMHPPOYWTJI-XGUBFFRZSA-N 230.355 2.039 0 40 BEAB Nc1cc(C2(C(F)(F)F)CC2)ccn1 256050226 DFXJTZAICCGXAO-UHFFFAOYSA-N 202.179 2.258 0 40 BEAB Cc1ccc(OC[C@@]2(O)CCCNCC2)cc1C 399482150 AWHPTIPDDQUVCT-OAHLLOKOSA-N 249.354 2.187 0 40 BEAB c1ccc2nc(O[C@H]3CCOC3)ccc2c1 585650508 APBSXBDTEXXSEU-NSHDSACASA-N 215.252 2.403 0 40 BEAB COc1ccc(CNC(=O)c2cccnc2)cc1 29325 BOVLTZKDXYNXHY-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCOc1ccc(C(=O)N2CCCC2)cc1 123297 NNNYSOBABPYXSK-UHFFFAOYSA-N 219.284 2.321 0 40 BEAB Cc1ccc(NC(=O)c2snnc2C)cc1 385507 SLKPWVISRATEOW-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Cc1nnsc1C(=O)N[C@@H](C)c1ccccc1 478311 GRPONLCDRJEXHO-QMMMGPOBSA-N 247.323 2.338 0 40 BEAB O=C(Nc1ccon1)Oc1ccccc1 480094 CKZGOCMWXPDHMH-UHFFFAOYSA-N 204.185 2.286 0 40 BEAB CCNC(=O)c1cc2ccccc2cc1O 1669758 AWLIVDSCPPTBKR-UHFFFAOYSA-N 215.252 2.295 0 40 BEAB CC1(C)COC(c2ccc3c(c2)OCO3)OC1 1672064 UNZNKLHKWMKVTP-UHFFFAOYSA-N 236.267 2.487 0 40 BEAB COC(=O)N[C@@H](c1ccccc1)[C@H](C)F 1712331 BYYHKRXRSLYAHA-WCBMZHEXSA-N 211.236 2.442 0 40 BEAB Sc1nc(Cl)cc2nc(Cl)cn12 1719428 UPTMYRCWSKZKMX-UHFFFAOYSA-N 220.084 2.325 0 40 BEAB CCC[C@@H](O)P(=O)(OCC)OCC 2579186 QGNCNQNIDOVSQB-QMMMGPOBSA-N 210.210 2.371 0 40 BEAB COC(=O)C[C@H]1CCN(Cc2ccccc2)C1 4202965 YYQIUMJBKYPSLC-CYBMUJFWSA-N 233.311 2.072 0 40 BEAB COc1ccc(CSC(=N)N)cc1Cl 4321538 PYJIMLUCKQWMEQ-UHFFFAOYSA-N 230.720 2.475 0 40 BEAB C[C@@H](n1cnnn1)C12CC3CC(CC(C3)C1)C2 4327367 CJCYVXLTLSHMKV-HIVKSXORSA-N 232.331 2.451 0 40 BEAB CN(C)C(=O)N[C@H]1CCCc2ccccc21 6451556 YRRUVWCTJOZXNN-LBPRGKRZSA-N 218.300 2.335 0 40 BEAB CCC(CC)c1sc(N)nc1C(=O)O 8763349 XJEVVKPAYOIMGI-UHFFFAOYSA-N 214.290 2.327 0 40 BEAB Cc1ccc(C(=O)Nc2ccn(C)n2)s1 13012581 LRBRSIMGQZZMBO-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB O=C(O)[C@H](c1ccccc1F)N1CCCC1 16771217 FUZSFRBKGZDGBE-NSHDSACASA-N 223.247 2.047 0 40 BEAB CC[C@@H]1CCCCN1c1ncccc1N 20317244 SPUFTYVJANTLIY-SNVBAGLBSA-N 205.305 2.433 0 40 BEAB Cc1cc(C(=O)N(C)C)c2ccccc2n1 21768522 IWHUVAGUVQXTKJ-UHFFFAOYSA-N 214.268 2.245 0 40 BEAB CSc1nnc(-c2ccc(F)cc2)c(O)n1 26443618 QRNJEDAJSUWNBN-UHFFFAOYSA-N 237.259 2.105 0 40 BEAB N=C1c2ccccc2CN1NCc1ccco1 28115568 JKYTYSHLGYPIGA-UHFFFAOYSA-N 227.267 2.125 0 40 BEAB O=C(O)c1ccccc1NC(=O)N1CCCC1 32500452 QAOIGTCTZRIIDN-UHFFFAOYSA-N 234.255 2.013 0 40 BEAB CC(C)c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 32720023 AAPNMCRVFNQCKL-CQSZACIVSA-N 247.338 2.407 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)CNC(C)(C)C 32738464 URTYOJAHVCKHCU-MNOVXSKESA-N 226.364 2.069 0 40 BEAB Cc1ccc2[nH]c(CCN(C)C)c(CCN)c2c1 32919466 SFUMZHXMXGEGFC-UHFFFAOYSA-N 245.370 2.082 0 40 BEAB CCCn1ccnc1SCc1nc(C)no1 40049356 BLFHFNBZUYLAQZ-UHFFFAOYSA-N 238.316 2.277 0 40 BEAB Cn1cccc1C(=O)N1CCc2ccccc21 40458910 YQYZVRMSCZFFER-UHFFFAOYSA-N 226.279 2.228 0 40 BEAB CC[C@H](C)C(=O)Nc1nc(C(C)=O)cs1 41907520 MKOMCBPZMGLPJG-LURJTMIESA-N 226.301 2.330 0 40 BEAB Cc1ccc(C)c(NC(=O)C2(C(=O)O)CC2)c1 50290627 CMRQSLRPXHSJGN-UHFFFAOYSA-N 233.267 2.107 0 40 BEAB c1ccc2c(OC[C@H]3CCCN3)ccnc2c1 51866501 LIHNICJZMLERGE-LLVKDONJSA-N 228.295 2.366 0 40 BEAB CC[C@@H](C)c1ccc(S(=O)(=O)O)cc1 56897577 OVXNLJHNNUAEMR-MRVPVSSYSA-N 214.286 2.447 0 40 BEAB in-vitro CCCC(=O)Nc1cc(C(N)=O)ccc1Cl 57291749 YOSCHWYEIROSFF-UHFFFAOYSA-N 240.690 2.178 0 40 BEAB Cc1ccc(NC(=O)NCCN(C)C(C)C)cc1 58343634 ZTYLBYRTSYVKCV-UHFFFAOYSA-N 249.358 2.457 0 40 BEAB CO[C@@H](C(=O)O)c1ccccc1Cl 59434369 GRSXDEKBULWVIL-MRVPVSSYSA-N 200.621 2.112 0 40 BEAB Cc1ccc(C)c(-c2cc3c(=O)[nH]ccn3n2)c1 70459045 JDRMQRHRAIKVLK-UHFFFAOYSA-N 239.278 2.306 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Oc1cccc(-n2ccnc2)c1 71915236 DXBMGLIRXIOWLC-GWCFXTLKSA-N 242.278 2.434 0 40 BEAB CCNc1ccc([C@H]2CCCCN2C=O)cn1 72213107 LLUKGDBQVAOIPJ-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB CCOc1ccc(C(=O)O[C@@H]2CCOC2)cc1 72270454 DKBBAOXUPWDUJA-GFCCVEGCSA-N 236.267 2.031 0 40 BEAB COc1ccccc1C(=O)NCC(C)(C)C 75909887 ZINYQKHMMOTDNU-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB C[C@H]1CC[C@H](C(=O)N2CC(C)(C)C2(C)C)O1 89922800 FSHJBLIITCIKMH-VHSXEESVSA-N 225.332 2.201 0 40 BEAB CCC(=O)N1CC[C@H](NC2CCCCCC2)C1 89941607 MQNIEGMORVAPPB-ZDUSSCGKSA-N 238.375 2.310 0 40 BEAB COC[C@@H](C)Nc1nc(-c2ccc(C)cc2)no1 95994678 KJXJNVKKQOINNL-SNVBAGLBSA-N 247.298 2.492 0 40 BEAB COC(OC)c1cccnc1Br 103016343 AJDLUSUIIVLQKJ-UHFFFAOYSA-N 232.077 2.136 0 40 BEAB COc1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1F 189446730 SUQRMRFVNRPRNM-IONNQARKSA-N 223.247 2.429 0 40 BEAB CCN(C(C)=O)[C@@H]1CN(C)C2(CCCCC2)C1 205699799 ZQRFNCHVCNWMJA-ZDUSSCGKSA-N 238.375 2.262 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@H]2O[C@@H](C)[C@@H](C)[C@@H]21 225760145 CRSCRJHTAPGPGQ-IYKVGLELSA-N 226.316 2.389 0 40 BEAB C[C@H]1CC[C@@H]1Cn1cc(Br)c(N)n1 242463777 DLDLHUVIVGWEBV-NKWVEPMBSA-N 244.136 2.274 0 40 BEAB C[C@@]12CC[C@@H](CC1=O)[C@]2(C)CSCCO 245204225 CLVRHDSFNQCSKV-WCQGTBRESA-N 228.357 2.107 0 40 BEAB CC(=O)Nc1nnc(-c2ccc(F)cc2)s1 179456 QBYSOHKVXYOZKR-UHFFFAOYSA-N 237.259 2.303 0 40 BEAB Oc1cc(O)c2c(c1)Oc1cc(O)cc(O)c1C2 1581505 WRWDLBILCDUPOS-UHFFFAOYSA-N 246.218 2.206 0 40 BEAB O=C(OC1CCCC1)C1(O)CCCCC1 1599436 QWHUROPPZQHVDU-UHFFFAOYSA-N 212.289 2.167 0 40 BEAB CCN(CC)Cc1ccc2c(c1)OCO2 1696559 YYRWIUPWYZOQBV-UHFFFAOYSA-N 207.273 2.257 0 40 BEAB O=S(=O)(c1ccccc1)N1CCCCCC1 3160576 SYWRFUXCKANUHS-UHFFFAOYSA-N 239.340 2.251 0 40 BEAB CNCc1c(-c2ccccc2)noc1C 4271726 IEMWBRRLWLUKQI-UHFFFAOYSA-N 202.257 2.369 0 40 BEAB in-vitro CCC(=O)Nc1ccccc1SCC(=O)O 8732806 DASRSOBRLXZCAR-UHFFFAOYSA-N 239.296 2.212 0 40 BEAB CC1(C)C[C@@](C)(O)N(c2ccccc2)C(=O)N1 12390878 RDOFCEJOWIKGLL-CYBMUJFWSA-N 234.299 2.093 0 40 BEAB COCCc1ccc(O[C@@H]2CCCNC2)cc1 14631834 XNSFBTXQVKXUQT-CQSZACIVSA-N 235.327 2.006 0 40 BEAB CCOC(=N)[C@@](F)(C(=O)OCC)[C@H](C)CC 17004838 IMLWLQBDQNEKQX-LDYMZIIASA-N 233.283 2.318 0 40 BEAB NCCCc1cccc(Br)c1 19779316 LPGRDQALSKYUEF-UHFFFAOYSA-N 214.106 2.340 0 40 BEAB in-vitro C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1 19840607 SZFJLDUWPWRMKN-UWVGGRQHSA-N 228.336 2.042 0 40 BEAB in-vitro CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CC1 20104469 QJTQNMGDSWMAPV-ZDUSSCGKSA-N 249.310 2.131 0 40 BEAB CC(C)(C)c1cc(Cl)n2ncnc2n1 21949996 SMOUGYDUFWHMAY-UHFFFAOYSA-N 210.668 2.075 0 40 BEAB in-vitro CNc1cc(OC)c(C(=O)O)cc1Cl 22054675 TXJMYISJXPBNCC-UHFFFAOYSA-N 215.636 2.089 0 40 BEAB in-vitro O=C(NCc1ccccn1)[C@H]1CC=CCC1 28200115 RIZWMSXVGXVLLM-NSHDSACASA-N 216.284 2.054 0 40 BEAB CC[C@](C)(c1ccccc1)N(CC(=O)O)N=O 31671818 ODOBWUXGBSGCRM-GFCCVEGCSA-N 236.271 2.380 0 40 BEAB C[C@H](c1ccccc1)N1CCC[C@H](O)C1 34889337 WSJYBUKJXSWDRV-YPMHNXCESA-N 205.301 2.204 0 40 BEAB O=C(O)Cc1cc(-c2ccccc2F)on1 36657697 SEIKGNYUQIJGGB-UHFFFAOYSA-N 221.187 2.108 0 40 BEAB CC(C)N(CCCO)C(=O)OC(C)(C)C 38098579 LLCYWHXMBXMVAS-UHFFFAOYSA-N 217.309 2.014 0 40 BEAB in-vitro CCc1cccc(C(=O)O)c1-n1cccn1 40449008 JRLZTPHQMUWAMO-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB in-vitro CC(C)c1ccc(C[C@H](C(=O)O)N(C)C)cc1 41265860 VPIMCZFKFFNXTO-CYBMUJFWSA-N 235.327 2.367 0 40 BEAB Cc1cccc(CN[C@H]2CCCCNC2=O)c1C 42255854 CRZQEQNSKLZIQW-AWEZNQCLSA-N 246.354 2.062 0 40 BEAB Cc1ccc(NC(=O)c2scnc2C)nc1 48226494 TYRXQGRNVWGNSZ-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CC(C)CNC(=O)c1cccc2c1NCCC2 50957544 CSWVGWRWHNKOFC-UHFFFAOYSA-N 232.327 2.431 0 40 BEAB Cc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)cc1 53815818 WGBBVHADCLLSFJ-CQSZACIVSA-N 246.354 2.048 0 40 BEAB C[C@@H](CC(=O)N1CCNC[C@H]1C)CC(C)(C)C 54369982 PGEYFXAHUPHRHL-NWDGAFQWSA-N 240.391 2.269 0 40 BEAB CNC[C@@H]1C[C@H]1c1cc(OC)ccc1OC 54588805 PJAWTBPNBFIOAB-GXSJLCMTSA-N 221.300 2.027 0 40 BEAB COC[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 56921942 VOKFEZJZLUJWLQ-ZDUSSCGKSA-N 247.338 2.494 0 40 BEAB CN(CCc1ccncc1)C(=O)C[C@@H]1C=CCC1 58051284 SGTBRGQRRLCIHO-CQSZACIVSA-N 244.338 2.439 0 40 BEAB CCc1ccc(C(=O)N(CC)C2CC2)o1 71185216 KSMRTFHZVIHENW-UHFFFAOYSA-N 207.273 2.467 0 40 BEAB CCSCCN1C(=O)c2ccccc2C1=O 71992848 MOLMAIYYXCYJMG-UHFFFAOYSA-N 235.308 2.036 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC(=O)O 72208306 XFBVMJNPJAEPAT-SFYZADRCSA-N 231.292 2.010 0 40 BEAB c1cnc(NC2CC2)c([C@H]2CCCCN2)c1 72213731 KHBGOMXKMJIPJB-GFCCVEGCSA-N 217.316 2.471 0 40 BEAB CC[C@H](N)c1ccc(N(C)CC)nc1C 72224285 WMWJWOGONAWLLW-NSHDSACASA-N 207.321 2.256 0 40 BEAB CC[C@@H](N)c1ccc(NC2CC2)nc1C 72224861 WUWOASITMQYKMT-LLVKDONJSA-N 205.305 2.374 0 40 BEAB O=C(Nc1ccccc1-c1ncc[nH]1)C1CC1 72306642 DIFIAVIVVDERSN-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB Cc1cc(C)nc([C@@H]2CCN(C(C)C)C2)n1 72381405 WKENVASXCFDYSR-GFCCVEGCSA-N 219.332 2.291 0 40 BEAB Cc1cccc(N(C)C(=O)[C@H]2CCCN2)c1C 77364198 NNMYWNSPCQBDNH-GFCCVEGCSA-N 232.327 2.018 0 40 BEAB Cc1cc(CNCCc2cnn(C)c2)ccc1F 78552337 HEINAVFVXZMJNL-UHFFFAOYSA-N 247.317 2.200 0 40 BEAB Cc1nn2c(C=O)c(C(C)C)nc2s1 88611526 RRDBIIHMSDDIGG-UHFFFAOYSA-N 209.274 2.035 0 40 BEAB in-vitro c1ccc(CN2CC[C@@H](c3cnccn3)C2)cc1 90751645 AIERXDIIGHBOFY-CQSZACIVSA-N 239.322 2.466 0 40 BEAB O=C(O)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 91305000 YMEAOEVSZUNFGF-ZMLRMANQSA-N 217.268 2.449 0 40 BEAB O=C(OC[C@H]1CCCCN1)N1CCCCCC1 92742871 IGOWNROSUIINJN-GFCCVEGCSA-N 240.347 2.141 0 40 BEAB CC[C@@H](COC)NC[C@H](O)c1ccccc1C 95422341 ZATPCXWCWOUCTR-JSGCOSHPSA-N 237.343 2.043 0 40 BEAB CCOC(=O)c1cnc(-c2ccccn2)s1 95751726 ICDLTTIWSRKQSG-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB c1cncc(CN2CCC(c3cn[nH]c3)CC2)c1 97203363 DHQSVBJTNITECQ-UHFFFAOYSA-N 242.326 2.184 0 40 BEAB CC1=C(Cc2ccc(O)cc2)N(C)CO1 100151333 VEZBQZCBJIQZCL-UHFFFAOYSA-N 205.257 2.086 0 40 BEAB COCCn1c(=N)sc2cc(Cl)ccc21 100969237 DSGBIBFGBZOGPG-UHFFFAOYSA-N 242.731 2.482 0 40 BEAB CC[C@@H](C)COC(=O)CN(C)[C@H]1CCSC1 108151057 YFJHOBSOVNLHLM-MNOVXSKESA-N 245.388 2.013 0 40 BEAB c1ccc(-c2nccn2C[C@H]2CCCO2)nc1 108663198 ISCDCYRJOPGFGA-LLVKDONJSA-N 229.283 2.124 0 40 BEAB CCNCc1cc(C)n(CCCOC)c1C 223660796 WPIRAYAMUHEULR-UHFFFAOYSA-N 224.348 2.251 0 40 BEAB CON(C)C(=O)c1cccnc1C(C)(C)C 225734250 DXKFIDIWFWKXSL-UHFFFAOYSA-N 222.288 2.013 0 40 BEAB CC(C)(C)[C@@H]1Nc2ccccc2C[C@@H]1O 257198100 STBDCUBRSFVRPJ-NWDGAFQWSA-N 205.301 2.430 0 40 BEAB CC(C)CCn1cc(Br)c(CO)n1 685936326 QPHQBEWGDYZDCO-UHFFFAOYSA-N 247.136 2.184 0 40 BEAB CCOC(=O)C1(c2ccc(C)cc2C)CC(=O)C1 685937388 SBCDRIKLEHMBNG-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB CC(C)(C)c1nc2ccccc2n1C1CNC1 1775975193 BRXZKLXAQNQVMQ-UHFFFAOYSA-N 229.327 2.478 0 40 BEAB CSc1nc(C)c(C)c(N2CCCC2)n1 1888849573 YJWJKFSQYAMNDI-UHFFFAOYSA-N 223.345 2.416 0 40 BEAB COC(=O)c1cc(-c2cccs2)no1 266346 WPEYZYMKIDHBHZ-UHFFFAOYSA-N 209.226 2.190 0 40 BEAB CC(C)=CCNS(=O)(=O)c1ccc(C)cc1 339291 JYOTUFCJOOMQBU-UHFFFAOYSA-N 239.340 2.240 0 40 BEAB Cc1cc(C)nc(NC(=O)C2CCCC2)n1 972023 NCLZYQFHFRUIHH-UHFFFAOYSA-N 219.288 2.222 0 40 BEAB O=C1N[C@@H](c2ccco2)Oc2ccccc21 2232416 UYXVTPYSASEWGX-GFCCVEGCSA-N 215.208 2.101 0 40 BEAB CCn1ccc(CNCc2ccc(OC)cc2)n1 2536098 BBDJWCSENITGNM-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB Nc1nnc(SCc2cccs2)s1 4206109 IXGRQFSVJGXNSG-UHFFFAOYSA-N 229.355 2.474 0 40 BEAB in-vitro CCn1cc(C(=O)OC)c2ccccc21 5737582 VVKGPGIOVJYAHI-UHFFFAOYSA-N 203.241 2.448 0 40 BEAB Cc1occc1C(=O)Nc1ccccn1 5934659 XQLIPEWJDMNVEW-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB O=C(O)/C=C(/c1ccc2c(c1)OCCO2)C1CC1 11628552 WKNYPNPCCYZEMH-DHZHZOJOSA-N 246.262 2.336 0 40 BEAB Cc1ccc(-c2n[nH]c(NC(=O)C3CC3)n2)cc1 12921808 DXFBYDZUUIOOEA-UHFFFAOYSA-N 242.282 2.129 0 40 BEAB O=C(Cc1ccccc1Cl)NC1CC1 12928968 BMCMUTXJKRHZOG-UHFFFAOYSA-N 209.676 2.161 0 40 BEAB S=c1[nH]cnc2cc3cn[nH]c3cc12 18208046 WUCHKJDBLDEMGR-UHFFFAOYSA-N 202.242 2.169 0 40 BEAB CCc1noc(-c2cccnc2Cl)n1 22120292 SLMONMPXSSLXND-UHFFFAOYSA-N 209.636 2.347 0 40 BEAB NC(=O)[C@@H](NCc1ccccc1)c1ccccc1 26157582 PYVTTZQYAVUMNV-AWEZNQCLSA-N 240.306 2.003 0 40 BEAB CSCC(=O)Nc1ccc(C)c(F)c1 33005432 LFUBWMAWCPUPJU-UHFFFAOYSA-N 213.277 2.436 0 40 BEAB CC(C)(C)SCC(=O)N1CCCC1 33019269 ZMDYSQHSSQIXCP-UHFFFAOYSA-N 201.335 2.141 0 40 BEAB COc1ccccc1-c1csc(=O)[nH]1 34669869 FLBUAKZNOMZWAW-UHFFFAOYSA-N 207.254 2.112 0 40 BEAB in-vitro Cc1cc2ncn(CCCCO)c2cc1C 35649937 GLSCDWZLHHFPOC-UHFFFAOYSA-N 218.300 2.426 0 40 BEAB O=C(CC(F)(F)F)NC(C1CC1)C1CC1 40490345 XTPIXBUBQXTDIJ-UHFFFAOYSA-N 221.222 2.244 0 40 BEAB OC[C@H]1CCCN1c1nc2ccccc2s1 42434679 HGVGZMWESQDWDF-SECBINFHSA-N 234.324 2.257 0 40 BEAB Cc1ccsc1C(=O)CCCC(=O)O 42728684 IPMIMJYXVSOCJP-UHFFFAOYSA-N 212.270 2.494 0 40 BEAB CC1CCN(c2nccnc2Cl)CC1 43537489 RULRRVJNLGOSAO-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB CCOc1ncc(Br)s1 44116999 CTPYJNYAHWOZSV-UHFFFAOYSA-N 208.080 2.304 0 40 BEAB Cc1noc(Cc2c[nH]c3ccccc23)n1 45894487 XYEBPGCTFCSQEW-UHFFFAOYSA-N 213.240 2.450 0 40 BEAB O=C(O)C[C@@H]1COc2ccc(Cl)cc2C1=O 45921828 OLUUTPGWSBFJNQ-ZCFIWIBFSA-N 240.642 2.006 0 40 BEAB COc1ccc(C)cc1CN1CCCC[C@H]1CO 49750911 BVMJQPRCOFWWOJ-AWEZNQCLSA-N 249.354 2.350 0 40 BEAB O=C(CN1CCCC1)NCCC1=CCCCC1 69439186 XLWBNNXHKLHWAM-UHFFFAOYSA-N 236.359 2.089 0 40 BEAB Cc1noc2ncc(-c3nnc(C4CC4)o3)cc12 71889527 HDNRJQFVXBJJDL-UHFFFAOYSA-N 242.238 2.459 0 40 BEAB Cc1ccnc(CCNC(=O)OC(C)(C)C)c1 72206903 VYBQRZIGYWRJQQ-UHFFFAOYSA-N 236.315 2.457 0 40 BEAB c1cnc(N2CCCC2)c([C@H]2CCCN2)c1 72215965 HKEVFEZGJLKJJV-GFCCVEGCSA-N 217.316 2.106 0 40 BEAB O=C(O)[C@]1(c2ccccn2)CCCCS1 72220166 RCNDXZZXMYBOCA-LLVKDONJSA-N 223.297 2.279 0 40 BEAB CC[C@H](N)c1cnc(NC2CC2)c(C)c1 72222774 PTKIRIPYJGANNQ-NSHDSACASA-N 205.305 2.374 0 40 BEAB CCc1ccc(-c2cc(CCN)[nH]n2)cc1 72226125 GCYBWEGIJMXRAW-UHFFFAOYSA-N 215.300 2.140 0 40 BEAB NC1CCC(O)(CCc2ccccc2)CC1 72233355 AMPNGGJAQXBSQB-UHFFFAOYSA-N 219.328 2.252 0 40 BEAB CCOC(=O)c1cc(Cl)cc2nc(N)oc12 73639543 OPBGIHIDWKWTJQ-UHFFFAOYSA-N 240.646 2.240 0 40 BEAB c1ccc(CN(C2CC2)[C@@H]2CCNC2)cc1 79437975 FBLJWEZDOUIJOT-CQSZACIVSA-N 216.328 2.013 0 40 BEAB CN(C)c1ccc2cc(CO)ccc2c1 82046677 STMIYEWWUMTDJB-UHFFFAOYSA-N 201.269 2.398 0 40 BEAB COc1c(F)cc(Br)cc1C=O 82343774 LNAUQTIUKLWHGK-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB O=C1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 82968258 LSKPWTMTKQRKDQ-CHWSQXEVSA-N 215.296 2.098 0 40 BEAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CC1 84640682 GXGQIOTUVYBAGD-SNVBAGLBSA-N 248.326 2.127 0 40 BEAB NC[C@H]1CCCCN1Cc1cc(F)cc(F)c1 84946839 VDEFUSNRDGBFBF-CYBMUJFWSA-N 240.297 2.278 0 40 BEAB COC(=O)c1ccc(Cl)c2cn[nH]c12 88240363 SDKHCZIWSGBXRM-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB COc1ccccc1CN1CCOCC12CCC2 93510539 MFERHRDSIKOEIV-UHFFFAOYSA-N 247.338 2.450 0 40 BEAB Cn1ccnc1CNC1(c2ccccc2)CC1 96403852 CKXUDORPRDOOOU-UHFFFAOYSA-N 227.311 2.199 0 40 BEAB C[C@H](c1ccccn1)N(C)CCCn1ccnc1 96490573 GYRHFEZQNCLEGH-CYBMUJFWSA-N 244.342 2.361 0 40 BEAB O=Cc1cnc(C(Cl)(Cl)Cl)nc1 212606586 VNMGFMAFMJOHLG-UHFFFAOYSA-N 225.462 2.116 0 40 BEAB CC1(C)C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 217764330 YSBZINBIZFCHTH-NXEZZACHSA-N 243.347 2.451 0 40 BEAB N[C@@H]1CCCC[C@H]1Oc1nccc2occc12 236300517 PACMXORGSYVFEB-ZYHUDNBSSA-N 232.283 2.477 0 40 BEAB CC[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)CC1 252523230 CDBVQSYKHWIQOT-CYDGBPFRSA-N 239.359 2.496 0 40 BEAB O=C(Cc1ccsc1)N1C[C@H]2C[C@H]1CS2 575615447 FTTJFTUBSWTPIJ-VHSXEESVSA-N 239.365 2.007 0 40 BEAB CC(=O)COCC(F)(F)[C@@H](F)C(F)(F)F 1083807089 ZMAWQFRCMTVDBG-RXMQYKEDSA-N 238.127 2.128 0 40 BEAB C[C@H](F)COB(OC[C@H](C)F)OC[C@H](C)F 1083813041 YBWOBBPSKNMYOD-CIUDSAMLSA-N 242.046 2.095 0 40 BEAB COc1ccccc1Nc1ncnc2[nH]cnc12 213757 IQOGGWLYHJXIIF-UHFFFAOYSA-N 241.254 2.105 0 40 BEAB OC[C@H]1CCc2[nH]c3ccccc3c2C1 393351 MZOHGRLIWWBKAN-VIFPVBQESA-N 201.269 2.265 0 40 BEAB O=C(/C=C/c1cccs1)Nc1ncccn1 460513 YHXZJZATPFHLGR-SNAWJCMRSA-N 231.280 2.190 0 40 BEAB CN1NC2(CCCCC2)ON=C1c1ccccc1 1618472 USYOMARIFRRCHF-UHFFFAOYSA-N 245.326 2.475 0 40 BEAB CCC(O)(CC)C(=O)Nc1ccccc1 1686568 ONWJCSJZVYQCHA-UHFFFAOYSA-N 207.273 2.176 0 40 BEAB CN1CCN(c2ccc(-c3ccno3)cc2)CC1 3016026 IDLAOHAVEFQNJL-UHFFFAOYSA-N 243.310 2.093 0 40 BEAB O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1 3276406 YGFZKHLNKQEDBM-UHFFFAOYSA-N 244.294 2.051 0 40 BEAB CCOc1cccc(C=O)c1OC(F)F 4200371 BJGGCFDPFCYQAZ-UHFFFAOYSA-N 216.183 2.499 0 40 BEAB in-vitro CCCOC(=O)C(=O)Nc1ccc(Cl)cc1 5951933 IXJUOPFXBZPXDX-UHFFFAOYSA-N 241.674 2.232 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2[nH]1 6647853 AUVAPUVVWIDTTM-JGVFFNPUSA-N 215.256 2.157 0 40 BEAB CC[C@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 9959529 VPMWZLUFDOHJFC-VHSXEESVSA-N 221.300 2.453 0 40 BEAB COCCCOc1ccc(N)cc1Cl 14630029 QVGFYLYLJLNCMC-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB CC[C@H](C)[C@H](C)NCc1nnc2ccccn12 20185722 BCVCKJNRIKGFEY-QWRGUYRKSA-N 232.331 2.254 0 40 BEAB O=Cc1cccc(-c2ccc(C(=O)O)s2)n1 20357774 IZBKTJYWJNEFOT-UHFFFAOYSA-N 233.248 2.321 0 40 BEAB O=C(O)c1ccc2c(c1)C(=O)CCCC2 22015627 MUIQSPLDRIXVGQ-UHFFFAOYSA-N 204.225 2.294 0 40 BEAB in-vitro CC(C)(C)[C@H](N)CN1CCc2ccccc2C1 23069599 CVAAGXPJOVJPNL-CQSZACIVSA-N 232.371 2.418 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCn2c1nc1ccccc12 29375685 XDFJQIKRBQTLIQ-ZJUUUORDSA-N 241.294 2.039 0 40 BEAB CCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 31829292 LPXOGNLUMUAOSY-WDEREUQCSA-N 206.241 2.273 0 40 BEAB CN(CC1CCCCC1)C(=O)c1ccc[nH]c1=O 32753018 XLNDDGIKDRREHP-UHFFFAOYSA-N 248.326 2.027 0 40 BEAB COCCCNC(=O)c1cc(Cl)ccc1F 32768060 MXJILOOOZJDBOO-UHFFFAOYSA-N 245.681 2.245 0 40 BEAB CCC(=O)Nc1cccc(Br)n1 35678643 CAQDAMNANHCDRI-UHFFFAOYSA-N 229.077 2.193 0 40 BEAB Oc1ccc(OCc2cccnc2)cc1 36379523 OVPLGULDVNFMPS-UHFFFAOYSA-N 201.225 2.366 0 40 BEAB in-vitro O=[S@@](O)c1cccc(OC(F)(F)F)c1 36533516 UDQJAOPOVIOHKR-UHFFFAOYSA-N 226.175 2.166 0 40 BEAB Cn1cc(NC2CCCCC2)ccc1=O 37785523 HELWMYZRIQILHQ-UHFFFAOYSA-N 206.289 2.130 0 40 BEAB in-vitro Cc1ccc(CCNC[C@H]2CCCO2)cc1 37927523 XXEJOGPOFQZTRB-CQSZACIVSA-N 219.328 2.306 0 40 BEAB in-vitro Cc1nc2nccc(-c3cccs3)n2n1 39593897 ABZLIQTWYMVJIL-UHFFFAOYSA-N 216.269 2.161 0 40 BEAB Clc1nccnc1NCc1cccnc1 43537635 TYTHVKFWLLPKIX-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB Cc1cc(C(=O)O)c(C)n1C[C@@H]1CCCOC1 44981707 XSRFEEQJQGPUOT-NSHDSACASA-N 237.299 2.230 0 40 BEAB CCCS(=O)(=O)Nc1ccc(Cl)cc1 45929360 NOOJAQSYNGSWLA-UHFFFAOYSA-N 233.720 2.492 0 40 BEAB Cc1nc(C)c(C(=O)NCC(F)(F)F)s1 53495256 MEWGFVUHBDHGRS-UHFFFAOYSA-N 238.234 2.052 0 40 BEAB CN(C(=O)OCc1ccccc1)[C@H]1CCCNC1 54965485 KZAPWAGMBADXOQ-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB CC(C)=CC(=O)OCC(=O)N(C)c1ccccc1 60965393 IWBKMLDPIJROHA-UHFFFAOYSA-N 247.294 2.159 0 40 BEAB N[C@@H](c1cccc(F)c1)C1CCOCC1 68956932 ZTBOQGBLGPVUBW-GFCCVEGCSA-N 209.264 2.252 0 40 BEAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1 72218692 BWSHREWOGWULSH-LBPRGKRZSA-N 219.332 2.271 0 40 BEAB Cc1ccc([C@H](O)C2(CN)CC(C)C2)cc1 85396029 XKTXEBKSAMKSPG-QRMWWUJWSA-N 219.328 2.403 0 40 BEAB C[C@@H](NCc1ccccc1F)[C@@H](C)C(=O)O 86297928 ONLCLSFGQPCXLO-RKDXNWHRSA-N 225.263 2.025 0 40 BEAB COc1ccc([C@H](C)N)c(Cl)c1OC 95673446 JDUWSYRBCOAIHQ-LURJTMIESA-N 215.680 2.377 0 40 BEAB CCCCNC(=O)N1CCC[C@]1(C)CCCO 95942754 QGFDLHWIEIPHCI-CYBMUJFWSA-N 242.363 2.123 0 40 BEAB CN(C)c1ccccc1[C@](C)(O)C1CC1 96543339 BDESXQCPVSYUHO-CYBMUJFWSA-N 205.301 2.370 0 40 BEAB CCN(CC)CCCN1CCC[C@H](COC)C1 97105642 LOIRCZHQBBNYTD-AWEZNQCLSA-N 242.407 2.077 0 40 BEAB Cc1c(CNc2nnc(C(C)(C)C)o2)cnn1C 97375376 JWNOZOPBOYQXPS-UHFFFAOYSA-N 249.318 2.021 0 40 BEAB CCOC(=O)CC1[C@H](C)[C@H](C)N[C@H](C)[C@@H]1C 104124869 KZLXDLZVUUMHCG-ZLERWKPPSA-N 227.348 2.208 0 40 BEAB Cc1ccccc1[C@@H]1OC(=N)C(O)=C1O 104240159 CWYBHTFNSZAJCC-JTQLQIEISA-N 205.213 2.371 0 40 BEAB C[C@@H](CCO)CNc1noc(-c2ccccc2)n1 157782804 QGPDZACCOOGBKM-JTQLQIEISA-N 247.298 2.167 0 40 BEAB Cc1cc(O)ccc1NC(=O)NCC(F)(F)F 158017914 GCFIGALMWCECSI-UHFFFAOYSA-N 248.204 2.384 0 40 BEAB COCCCC[S@](=O)c1ccoc1C 189645330 GCTZRLVNFHXXKN-AWEZNQCLSA-N 216.302 2.122 0 40 BEAB OC[C@H]1C[C@@]12CCOc1ccc(Cl)cc12 218685342 XTQUSGZZEOAIKF-PELKAZGASA-N 224.687 2.373 0 40 BEAB CC[C@H](CO)NC(=O)N[C@H]1CCC[C@H](C)CC1 225513785 ISIJZVGGOLRLTD-TUAOUCFPSA-N 242.363 2.025 0 40 BEAB Cc1ccnc(OC2CCSCC2)n1 585650579 BRPLLLFFMUKGJH-UHFFFAOYSA-N 210.302 2.059 0 40 BEAB CN(C)[C@H]1CCC[C@@H]1Oc1nccs1 585650819 FXGMMGSTAFGBDG-IUCAKERBSA-N 212.318 2.005 0 40 BEAB c1ccc2c(SC3=NCCN3)c[nH]c2c1 2177 JENBDJGHNIOHAJ-UHFFFAOYSA-N 217.297 2.219 0 40 BEAB in-man CC[C@]1(C)OC(=O)N(Cc2ccco2)[C@@]1(C)O 62831 DKQKKPIIGYHBSB-RYUDHWBXSA-N 239.271 2.109 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 477882 APHCJZUAUZFCJR-NSHDSACASA-N 247.294 2.275 0 40 BEAB COc1ccc(C=O)cc1COc1ccccn1 501255 COKZZJFPDDWZHS-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB CC(=O)N(C)c1nc2ccccc2s1 828976 WZONSPYFURLUKC-UHFFFAOYSA-N 206.270 2.279 0 40 BEAB CCOc1ccccc1CC1OCCO1 2529071 VABGVBFTTMFRIV-UHFFFAOYSA-N 208.257 2.001 0 40 BEAB CCOC(=O)CCNc1ccc(OC)cc1 2539757 XEJKQYOXVNMLIW-UHFFFAOYSA-N 223.272 2.060 0 40 BEAB Cc1cccc(Nc2nc(N)nc(N)c2N=O)c1 4706951 UAJFZJGJAIBJIJ-UHFFFAOYSA-N 244.258 2.091 0 40 BEAB CCN1CCN(C(=S)c2ccc(C)cc2)CC1 4816012 ZRZGVSRBDWZUSP-UHFFFAOYSA-N 248.395 2.308 0 40 BEAB CCOC(=O)C(=O)c1ccc(N(CC)CC)cc1 5311790 UDGDRYNJIVCMEQ-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB Nc1nc2c(Cl)cc(Cl)cc2[nH]1 5973836 DAONLTNVFHRQFO-UHFFFAOYSA-N 202.044 2.452 0 40 BEAB in-vitro Cc1cc(NC(=O)c2ccc(F)cc2)nc(C)n1 6281450 VCXBLNGBVACUSC-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB Cc1cccc(Nc2ncc(C=O)cn2)c1 8702916 LBUZYEIMTQQDLF-UHFFFAOYSA-N 213.240 2.341 0 40 BEAB CCn1nccc1NC(=O)c1ccc(OC)cc1 12062758 MEOPOCZBJXBRJC-UHFFFAOYSA-N 245.282 2.164 0 40 BEAB Nc1ccc(-n2cc(Cl)cn2)c(F)c1 12395407 NQXHOZBTINTZHY-UHFFFAOYSA-N 211.627 2.247 0 40 BEAB CCCNC(=S)Nc1ccc(C(=O)O)cc1 13796031 NDZVYJNEQXYBGM-UHFFFAOYSA-N 238.312 2.081 0 40 BEAB Cc1ccccc1NC(=O)[C@H]1CCCCN1 19412140 OLNKMMBYJBCFNF-GFCCVEGCSA-N 218.300 2.076 0 40 BEAB CCc1cccc2c(NN)cc(C)nc12 19721962 CBJODOKWSKSLAZ-UHFFFAOYSA-N 201.273 2.391 0 40 BEAB CC(C)CCC(=O)NCc1ccc(C(=O)O)cc1 20136756 TUYXFJMXPMLIOW-UHFFFAOYSA-N 249.310 2.437 0 40 BEAB COCc1nc(Cl)nn1-c1ccc(F)cc1 22125803 DNOSBLWBTDBVLD-UHFFFAOYSA-N 241.653 2.206 0 40 BEAB O=C1Cc2ccc(OC(F)(F)F)cc2N1 26894664 BNVMDXRMZSABFV-UHFFFAOYSA-N 217.146 2.080 0 40 BEAB Cc1ccc([C@@H]2CSc3nnc(C)n3N2)cc1 27028418 CGSHDWRROKFWMV-NSHDSACASA-N 246.339 2.285 0 40 BEAB Cc1ccccc1C(=O)NC1(C(=O)O)CCCC1 37329816 QZNGFEPRWSFILG-UHFFFAOYSA-N 247.294 2.122 0 40 BEAB C[C@@H](CNCc1cccnc1)CN1CCCCC1 37997551 OMEXQXIGXFRUOM-AWEZNQCLSA-N 247.386 2.293 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H](F)C1 38539977 UAPGAPVMGAQEAQ-MRVPVSSYSA-N 203.257 2.355 0 40 BEAB CC(C)(C)OC(=O)NC1CC2(CC(CO)C2)C1 38813699 VHRSRHDORQXSSK-UHFFFAOYSA-N 241.331 2.062 0 40 BEAB CSCC[C@H](N)CN(C)Cc1ccccc1 39794786 SAECLIOPLWNVPM-ZDUSSCGKSA-N 238.400 2.199 0 40 BEAB CCOC(=O)c1cc(N)ccc1NC1CC1 41046114 KIWBZIFTGBBVEM-UHFFFAOYSA-N 220.272 2.020 0 40 BEAB O=C(O)CC1(c2ccccc2)CCOCC1 41233801 UEYWRVYUSMTFLH-UHFFFAOYSA-N 220.268 2.210 0 40 BEAB Cc1ccccc1C(=O)N1C[C@H](C)OC[C@@H]1C 45523723 IIICNVPJOBTBDZ-RYUDHWBXSA-N 233.311 2.244 0 40 BEAB COC[C@H](C)NCc1cccc(C)c1C 48241957 IJKUASLEXKLRHE-NSHDSACASA-N 207.317 2.428 0 40 BEAB CC(C)C[C@@H](NS(C)(=O)=O)c1cccs1 48368524 WRVPWAXRGSDZKM-SECBINFHSA-N 247.385 2.385 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(N)n1 55177421 VLMAQIPKRMWBRL-SFYZADRCSA-N 239.344 2.034 0 40 BEAB CCOCCS(=O)(=O)c1ccc(C)c(C)c1 57875908 QCJJNQSKAFRLDN-UHFFFAOYSA-N 242.340 2.114 0 40 BEAB COC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 58365039 HXSDGXAMUPIVHZ-DRZSPHRISA-N 233.311 2.146 0 40 BEAB C[C@@H](O)[C@H](CCCc1ccccc1)C(=O)O 59705282 LXZZBKVFUSJZKV-PWSUYJOCSA-N 222.284 2.091 0 40 BEAB in-vitro CNc1ccc(-c2ccccc2CO)cn1 61895420 JIHZOUCHPWDLJL-UHFFFAOYSA-N 214.268 2.283 0 40 BEAB Cc1noc(-c2cc(=O)c3ccccc3o2)n1 61957944 WHXALEIGWUHVSU-UHFFFAOYSA-N 228.207 2.151 0 40 BEAB CCOc1ccc([C@H](CN)OCC)cc1 62711880 WQJCMZJLUSLXDF-LBPRGKRZSA-N 209.289 2.122 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCN(C2CCC2)C1 67801123 QDMQAWYPPIACQF-JTQLQIEISA-N 240.347 2.138 0 40 BEAB CCCCn1nc(C)c(Cl)c1C=O 72209432 PLLATTBIZKSVIK-UHFFFAOYSA-N 200.669 2.458 0 40 BEAB CCOC(=O)c1cc2[nH]cnc2cc1Cl 73740238 WMWJFIRNCHTARP-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB O=C(O)c1c(O)cnc2cccc(Cl)c12 84122423 XEKCGTZNRUQHRX-UHFFFAOYSA-N 223.615 2.292 0 40 BEAB COc1ccc(OCC2(C(=O)O)CCC2)cc1 85390484 MZBFXNCDNJWSGO-UHFFFAOYSA-N 236.267 2.329 0 40 BEAB CC[C@@H](C)Oc1ccc(-c2nnn[nH]2)cc1 95162537 SLWHXRPOKPFBSN-MRVPVSSYSA-N 218.260 2.044 0 40 BEAB CCN(CC)CCNCc1ccc(C)o1 95188437 URWVUYWMNPKDLX-UHFFFAOYSA-N 210.321 2.019 0 40 BEAB CC(C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 95414220 IUPRQNBVWQXJLR-HNNXBMFYSA-N 247.338 2.417 0 40 BEAB Cc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](C)N2 95471671 DJVKJKTUBCAKLX-JOYOIKCWSA-N 228.299 2.380 0 40 BEAB CC(C)ONC(=O)C(C)(C)c1ccccc1 95972263 UDNQPOCCEZQNPQ-UHFFFAOYSA-N 221.300 2.420 0 40 BEAB CC1(NC(=O)NCCSCC2CC2)CCC1 95974510 NBSOUZVZYSDTJY-UHFFFAOYSA-N 242.388 2.371 0 40 BEAB CCCCC[C@H](NC(=O)C1CCCC1)C(=O)O 95989704 FIXYKUDPWWGLMB-NSHDSACASA-N 241.331 2.326 0 40 BEAB c1cnc(N2C[C@H]3CCCC[C@@H]3C2)cn1 96455871 POMAOTUOQLFIFH-GHMZBOCLSA-N 203.289 2.103 0 40 BEAB COc1ccc(CNc2cc(C)n(C)n2)cc1 129588723 NPIPUZGHTMBACO-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CC(C)N1CCC[C@@H](Cc2ccn[nH]2)C1 205693914 LMXOFVICSIYTLD-NSHDSACASA-N 207.321 2.073 0 40 BEAB O=C(O)[C@H]1CNc2c(cccc2C(F)(F)F)C1 211236433 SXRAEMOCUFNRLG-SSDOTTSWSA-N 245.200 2.374 0 40 BEAB C1CCC(N2CCN[C@H]3CCCC[C@H]32)C1 218827850 ZWKJNDZNZSTNMG-QWHCGFSZSA-N 208.349 2.145 0 40 BEAB Cc1cc(C[C@H]2CCC[C@@H]3CN(C)C[C@@H]32)ncn1 257302659 SDTBOWSUVIKJHW-UMVBOHGHSA-N 245.370 2.305 0 40 BEAB CC(=O)Cc1cc2ncccc2nc1C 536959711 SGONJQLWXQJFFC-UHFFFAOYSA-N 200.241 2.070 0 40 BEAB Cc1ccc(S(=O)(=O)NCCC(C)C)cc1 477593 LKTXDNCQAMQPSI-UHFFFAOYSA-N 241.356 2.319 0 40 BEAB CC[C@H]1CN1CCC(=O)Nc1ccccc1 1623515 OGENXPMAUQAXEF-SFVWDYPZSA-N 218.300 2.109 0 40 BEAB Nc1c(N2CCCC2)cc(Cl)c2nonc12 2436342 BFOMXSQDGCECRY-UHFFFAOYSA-N 238.678 2.059 0 40 BEAB CCOc1cc(OC)ccc1/C=C/C(=O)O 2524649 NVUZCTOKHZEUMN-FNORWQNLSA-N 222.240 2.192 0 40 BEAB O=C(COc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4363208 KHHWHWQAUKLMIB-OUCADQQQSA-N 245.322 2.370 0 40 BEAB Cc1nnc(Cc2ccco2)c2[nH]nc(C)c12 5385924 UHLGLGNESAPAMO-UHFFFAOYSA-N 228.255 2.154 0 40 BEAB FC(F)(F)c1nc(NC2=NCCCCC2)n[nH]1 5826332 HGLFLFMGPVCRGB-UHFFFAOYSA-N 247.224 2.208 0 40 BEAB COC(=O)CSCc1ccccc1C 6789644 HWULBRCHRNKBBC-UHFFFAOYSA-N 210.298 2.401 0 40 BEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C 12924791 IBKBEJREDNXTMM-UHFFFAOYSA-N 243.310 2.191 0 40 BEAB CNC(=S)SCCOc1ccccc1 13655954 QNSQVNLKRRVQPK-UHFFFAOYSA-N 227.354 2.303 0 40 BEAB Cc1ccc(-c2cc(C(=O)NC3CC3)[nH]n2)cc1 14263064 REZHWIQSCRSZQE-UHFFFAOYSA-N 241.294 2.277 0 40 BEAB Cc1cccc(CC(=O)NCCCOC(C)C)c1 20443013 YAUJSBFTGNDVGB-UHFFFAOYSA-N 249.354 2.469 0 40 BEAB C[C@H](NC(=O)[C@H](C)n1cccn1)c1cccs1 28428754 BVERBSAYYGAHSN-UWVGGRQHSA-N 249.339 2.383 0 40 BEAB NCCN1CCC[C@@H]1c1ccc(Cl)cc1 32553284 YVAKHIJWMQLKHA-GFCCVEGCSA-N 224.735 2.436 0 40 BEAB CC(C)C(=O)Nc1cccc(N2CCOC2=O)c1 32816821 AJMNMOZYJWZVRO-UHFFFAOYSA-N 248.282 2.238 0 40 BEAB COc1cccc(CN[C@@H](C)Cn2cccn2)c1 35259047 GJTJQHZOBICDNJ-LBPRGKRZSA-N 245.326 2.070 0 40 BEAB CCNC1=NC[C@@H](c2ccccc2)S1 35294247 AZVKLDRVBYAHKB-JTQLQIEISA-N 206.314 2.440 0 40 BEAB in-vitro CNCc1cc(-c2ccccc2F)no1 35655520 YTIAEWLECBLVCK-UHFFFAOYSA-N 206.220 2.200 0 40 BEAB CCN[C@H]1CCN([C@@H](C)c2ccccc2)C1 36379855 KYHJIZBPFBUCSV-JSGCOSHPSA-N 218.344 2.431 0 40 BEAB in-vitro COc1ccc(C(=O)O)cc1OCC1CC1 36765389 BRBRVEQKAPLESP-UHFFFAOYSA-N 222.240 2.182 0 40 BEAB in-vitro Cc1cc(SCc2nc(C)no2)nc(C)n1 40090163 PGGVXQQXGCUZBD-UHFFFAOYSA-N 236.300 2.077 0 40 BEAB CNC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 48650980 WRSHCVJREJVFBQ-LBPRGKRZSA-N 236.290 2.172 0 40 BEAB CN1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 49169006 NQQIBYDITGGSFG-QMMMGPOBSA-N 219.263 2.121 0 40 BEAB biogenic,in-vitro Cc1ccc([C@H](C)NC(=O)c2ncccc2O)o1 49225674 ACFMMUQOLVSSEC-VIFPVBQESA-N 246.266 2.180 0 40 BEAB CCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 49459828 SKWNOCAIHZDUJE-ZYANWLCNSA-N 222.332 2.226 0 40 BEAB CCCCc1ccc(C(=O)C(=O)OC)cc1 49817788 UGEALIHVJQKFOS-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB COCCN(Cc1ccc(F)cc1)C1CC1 53420656 HXEZGHSVYKZRAQ-UHFFFAOYSA-N 223.291 2.437 0 40 BEAB COC(=O)c1ccoc1CN1CCCC[C@@H]1C 55255750 AOENKAQZAYYPAE-JTQLQIEISA-N 237.299 2.441 0 40 BEAB COc1ccc([C@H](CN)OC(C)C)cc1F 62711804 KUQMDZBRXMSTDW-LBPRGKRZSA-N 227.279 2.259 0 40 BEAB CC(C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 67209469 CBXDPKOKEXEVSD-CYBMUJFWSA-N 246.354 2.162 0 40 BEAB CCc1nc(COC(=O)[C@H](CC)OC)cs1 68519848 HOSDJDWDWYDGAQ-VIFPVBQESA-N 243.328 2.174 0 40 BEAB Cc1cnn(C2CN(Cc3cnc(C)s3)C2)c1 71876827 UENNMIJCHPZRCB-UHFFFAOYSA-N 248.355 2.013 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccncc1C 72219548 UMYQMRRVULPYPV-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB Cc1ncoc1C(=O)N[C@@H](C)C(C)(C)C 72310159 GRDNAFLPNQUMHM-QMMMGPOBSA-N 210.277 2.147 0 40 BEAB c1cc(N2CCC[C@H](c3ccncn3)C2)ccn1 72356919 HBPOAXMXQSQZTN-LBPRGKRZSA-N 240.310 2.256 0 40 BEAB CN(CCC(F)(F)F)c1nc(C2CC2)no1 91458716 FTNMZGITIWAEMT-UHFFFAOYSA-N 235.209 2.336 0 40 BEAB Cc1cc(Oc2ccc(C(=O)O)cc2)n(C)n1 95704864 UPGNXXUBANIIQD-UHFFFAOYSA-N 232.239 2.219 0 40 BEAB OCc1cc(Br)c(Cl)o1 96509866 LBCHBWVWCZMWFV-UHFFFAOYSA-N 211.442 2.188 0 40 BEAB CCCOc1cc(OC)sc1C(=O)OC 96510868 SDGYKNLMRJHPFW-UHFFFAOYSA-N 230.285 2.332 0 40 BEAB Cc1cccc(C)c1Cn1ccc(N)n1 96524101 HHJCXMOTHNZYLJ-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB CN(C)c1ccccc1[C@@](C)(O)C1CC1 96543338 BDESXQCPVSYUHO-ZDUSSCGKSA-N 205.301 2.370 0 40 BEAB Cc1nn(C)cc1CN(C)[C@@H](C)c1ccccn1 97113663 FEJWRKGYBVZFGQ-LBPRGKRZSA-N 244.342 2.317 0 40 BEAB N[C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12 101075250 DEDUBZVXFIONOV-ILXRZTDVSA-N 230.355 2.246 0 40 BEAB CC[C@@H](CC(=O)O)c1cccc(O)c1F 141019468 YFLFJZAWBUZONN-ZETCQYMHSA-N 212.220 2.500 0 40 BEAB CCc1nccn1Cc1cnc2ccccn12 155380382 RSQJGTLEPPJKFS-UHFFFAOYSA-N 226.283 2.142 0 40 BEAB O=C1NCC[C@@H]1Cc1ccccc1Cl 157317408 WTVYNVOWKYKMNK-SECBINFHSA-N 209.676 2.019 0 40 BEAB CCCNC(=O)NCCSCc1ccco1 225772092 HSOUUSGKHBIPJB-UHFFFAOYSA-N 242.344 2.222 0 40 BEAB CCC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 405636523 VVMJNUVBVOIXIV-SECBINFHSA-N 241.331 2.469 0 40 BEAB COc1cccc(C(=O)C(C)(C)OC(C)=O)c1 575358308 GMDILUZZYPTKIG-UHFFFAOYSA-N 236.267 2.220 0 40 BEAB COc1cc2cc[nH]c2c2c1OCCC2=O 381753 JQSDDEOTKCXZRJ-UHFFFAOYSA-N 217.224 2.142 0 40 BEAB O=c1ccccn1Cc1ccccc1F 545229 CYEANVNFODSKNO-UHFFFAOYSA-N 203.216 2.036 0 40 BEAB COCCNC(=S)Nc1cc(C)cc(C)c1 3262684 QTLXBXCRSOLXNO-UHFFFAOYSA-N 238.356 2.236 0 40 BEAB NCc1nc(-c2ccccc2F)cs1 3710504 WCVLVPWPAPWQHJ-UHFFFAOYSA-N 208.261 2.408 0 40 BEAB in-vitro COc1ccc([C@@H](C)n2nccc2N)cc1OC 4575260 IXEBHRLINODWNZ-SECBINFHSA-N 247.298 2.092 0 40 BEAB NCCCN(Cc1ccco1)C1CCCC1 4810992 QJLUAFKAADLDRO-UHFFFAOYSA-N 222.332 2.373 0 40 BEAB CCCC[C@@H](CC)C(=O)NC1=NCCS1 5466601 BOJOIVUYTYKROJ-SECBINFHSA-N 228.361 2.422 0 40 BEAB COc1ccc2[nH]cc([C@@H](C)CN)c2c1 5735105 PLKJXFPRSHOODN-QMMMGPOBSA-N 204.273 2.239 0 40 BEAB CCCNC(=O)Nc1ccc2nsnc2c1 7036936 MWJJDURNMWVWRB-UHFFFAOYSA-N 236.300 2.223 0 40 BEAB Cn1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cn1 8095595 JSBKKIAMBYPNQL-NEPJUHHUSA-N 247.342 2.072 0 40 BEAB Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 8672793 JBCMJMNWLFZJNV-UHFFFAOYSA-N 228.173 2.129 0 40 BEAB CC(C)(C)[S@](=O)NCc1ccccc1 15782116 IRIZCXAZRNUZBS-CQSZACIVSA-N 211.330 2.238 0 40 BEAB NCC1CCN(CCc2cccc(F)c2)CC1 16941953 XRSCCBBRBQBBHM-UHFFFAOYSA-N 236.334 2.039 0 40 BEAB O=C(O)c1cccnc1-n1cnc2ccccc21 19260230 YOFCXZYPFZBZDS-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB C[C@H](N)c1ccc(NC(=O)C2CC2)cc1 20282200 CELFORIQAQLUCB-QMMMGPOBSA-N 204.273 2.055 0 40 BEAB in-vitro Nc1cccc(-c2nc(C3CC3)no2)c1 20545990 UWYNESDENROIHG-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB in-vitro Cn1ccc(NC(=O)CCc2cccs2)n1 32778124 NMBSRFNIZQEHGA-UHFFFAOYSA-N 235.312 2.053 0 40 BEAB NC(=O)c1ccc2c(c1)-c1ccccc1C2 32820420 BCQDETDNQXJSOK-UHFFFAOYSA-N 209.248 2.357 0 40 BEAB O[C@H](C[C@@H](O)C(F)(F)F)c1ccccc1 33805444 XWWKWKRVRQENAP-RKDXNWHRSA-N 220.190 2.033 0 40 BEAB COc1ccc([C@H]2CCC(=O)O2)cc1OC 34189679 WUTCRAWYHFZCPK-SECBINFHSA-N 222.240 2.082 0 40 BEAB Cc1cc(C(=O)Nc2ccc(Cl)cn2)on1 36394496 JAZASPYJWKHGFM-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB COC(=O)C(C)(C)NCc1ccc(Cl)cc1 37085232 VVNMUGRBNPENJS-UHFFFAOYSA-N 241.718 2.381 0 40 BEAB O=C(O)c1ccc(NCC(F)(F)F)cc1 40354853 SFLZFBKABFTQBH-UHFFFAOYSA-N 219.162 2.359 0 40 BEAB O=C(O)c1cccc(OC2CCCCC2)n1 40447898 MKFYNAVRSMQWBY-UHFFFAOYSA-N 221.256 2.491 0 40 BEAB CC(C)(C)C(=O)NCCCN1CCCCCC1 41799873 PIRWYDKPCAQJAZ-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB Cc1cc(C(=O)O)c(C)n1C[C@H]1CCCOC1 44981709 XSRFEEQJQGPUOT-LLVKDONJSA-N 237.299 2.230 0 40 BEAB C[C@H]1CCCN(c2ccnc(Cl)n2)C1 45918601 AHWUMDOPFUZQFB-QMMMGPOBSA-N 211.696 2.366 0 40 BEAB CSCC(=O)N[C@@H](C)c1ccccc1 46465094 MDWKZQNRLVPHFE-VIFPVBQESA-N 209.314 2.227 0 40 BEAB CN1C(=O)c2ccccc2N[C@H]1c1ccco1 48376001 WDJWOZQKYFGJGA-GFCCVEGCSA-N 228.251 2.476 0 40 BEAB O=C(NCCc1ccccn1)c1cccc(F)c1 58311874 AJBINTQLUPYFTB-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB CSCCC(=O)N[C@@H]1C[C@H]1c1ccccc1 67503985 CKDTVPGSUBOLAQ-NWDGAFQWSA-N 235.352 2.412 0 40 BEAB Cc1ccc(-n2cnc(Cl)c2CO)cc1 69949517 LSQAAYGRNOJOGX-UHFFFAOYSA-N 222.675 2.326 0 40 BEAB C[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)CC1 71842068 WSUDLUSWUIJLOX-JSGCOSHPSA-N 246.354 2.335 0 40 BEAB c1ccc2ncc(C[C@@H]3CCNC3)cc2c1 72387230 XEJXPRXYDPNTNM-NSHDSACASA-N 212.296 2.387 0 40 BEAB COc1ccc(-c2nnc([C@H](C)N)s2)cc1 75091354 OFQHOTYMDUXNGN-ZETCQYMHSA-N 235.312 2.233 0 40 BEAB Cc1cc(CCNC(=O)c2ccccc2F)on1 77122427 CZUBDPRIJVNWEK-UHFFFAOYSA-N 248.257 2.095 0 40 BEAB Cn1cncc1[C@H](O)CCc1ccccc1 82238044 VULNFYJJEVKDEJ-CYBMUJFWSA-N 216.284 2.086 0 40 BEAB CN1CCC([C@H](CN)c2ccccc2)CC1 82729051 JBLOUKQOILWNCH-CQSZACIVSA-N 218.344 2.071 0 40 BEAB CCC[C@H]1CCCN(Cc2nccc(N)n2)CC1 84740794 SVDRGPFUDLTWOG-LBPRGKRZSA-N 248.374 2.461 0 40 BEAB Brc1cc2scnc2cn1 89229112 BNWBITZLSRCTRO-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB in-vitro CC(C)Cc1noc([C@@H]2CCCNCC2)n1 95095439 QJEDNHXFDQTFBB-SNVBAGLBSA-N 223.320 2.125 0 40 BEAB CCc1ccccc1NC(=O)[C@H](C)n1cncn1 95349199 NYFYLRJLYVSCRP-JTQLQIEISA-N 244.298 2.040 0 40 BEAB CN(C)c1cc(Cl)nc(Cl)c1C=O 95933624 KVTAHBBCANJEDA-UHFFFAOYSA-N 219.071 2.267 0 40 BEAB CC(C)[C@H](CCO)Nc1cccc(F)n1 96427259 MZIJUPQDGPPHES-VIFPVBQESA-N 212.268 2.040 0 40 BEAB CC1(C)[C@@]2(CC(=O)O)CC[C@]1(C)[C@H](O)C2 108359134 AALGVLMQGQLLPJ-FXAINCCUSA-N 212.289 2.038 0 40 BEAB Cc1cccc(C(=O)c2ccncc2N)c1 116751958 MINBWAASXVGRBS-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB CC(C)C[C@@H](C)NC(=O)c1cc(O)cc(O)c1 152855256 AKBCVYGAELOFNR-SECBINFHSA-N 237.299 2.262 0 40 BEAB C1=CC2=C(CC1)OB(B1Oc3ccccc3O1)O2 198765776 UMPOIAWIDCLOHR-UHFFFAOYSA-N 239.832 2.121 0 40 BEAB COc1cc(Br)c(F)cc1CN 216926206 HZFIHTZZHLSCCA-UHFFFAOYSA-N 234.068 2.056 0 40 BEAB O=C(O)[C@H]1C[C@@]12CCOc1ccc(Cl)cc12 217037516 MLFMKEHMBCKEPZ-BXKDBHETSA-N 238.670 2.465 0 40 BEAB CCOc1ccc(C(=O)[C@H]2C[C@@H]2C(=O)OC)cc1 217821546 CZERNZFLRWFAKA-RYUDHWBXSA-N 248.278 2.077 0 40 BEAB NC[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 218685606 OJTLHRANFACQCV-UFBFGSQYSA-N 223.703 2.339 0 40 BEAB CCCNC(=O)NCCCc1ccc(F)cc1 225774219 AXDDCBALDMOGOK-UHFFFAOYSA-N 238.306 2.468 0 40 BEAB Cc1nscc1-c1nc([C@H]2CCOC2)no1 252487273 HTSKJQOZOMFXHI-ZETCQYMHSA-N 237.284 2.005 0 40 BEAB CCN(CC)C(=O)c1ccc2cnncc2c1 408975312 AEWUHEHAUXJZPV-UHFFFAOYSA-N 229.283 2.112 0 40 BEAB c1ccc2c(OC3COC3)nccc2c1 585652016 JRBHUCURQNSNFZ-UHFFFAOYSA-N 201.225 2.012 0 40 BEAB O=C([C@H]1CCCO1)N1CCC(=C2CCC2)CC1 1775986177 ZFNGUNQGMXGTLJ-CYBMUJFWSA-N 235.327 2.268 0 40 BEAB O=C(NC1CCCCC1)N1CCSCC1 213900 ZSUGAOKLCVSDIV-UHFFFAOYSA-N 228.361 2.078 0 40 BEAB COc1ccc2sc(NC(C)=O)nc2c1 319631 ZKNFVQNHIHCHEW-UHFFFAOYSA-N 222.269 2.263 0 40 BEAB in-vitro CCC(CC)c1nnc(NC(C)=O)s1 804661 KEUUZQVZXRTAER-UHFFFAOYSA-N 213.306 2.400 0 40 BEAB O=Cc1ccc(O[C@@H]2CCCCO2)cc1O 1420552 NDAHKJIBTIDZIO-GFCCVEGCSA-N 222.240 2.110 0 40 BEAB CCO[C@@]1(C)C(=O)C(C)(C)[C@]1(C)Cl 1722292 JONJCNNNZLUUAY-UWVGGRQHSA-N 204.697 2.388 0 40 BEAB C[C@H]1OCCS[C@H]1C(=O)Nc1ccccc1 2169035 HTCPXRKFYZHPSL-MWLCHTKSSA-N 237.324 2.146 0 40 BEAB O=C(c1cccc(CN2CCC2)c1)C1CC1 2515148 HEHDAWGKVFXWRE-UHFFFAOYSA-N 215.296 2.485 0 40 BEAB COc1cc(OC)cc(C(=O)NC(C)(C)C)c1 3093854 PTEZFGZBZHVGPM-UHFFFAOYSA-N 237.299 2.232 0 40 BEAB CCCCCC(=O)Nc1nccc(C)n1 4659187 AKTATXNKWRSFAU-UHFFFAOYSA-N 207.277 2.304 0 40 BEAB COC(=O)c1ccc(SC(=O)N(C)C)cc1 5064760 TUGWKAXIHHCGRU-UHFFFAOYSA-N 239.296 2.247 0 40 BEAB CC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5437793 AESZJBFFCVPITC-UHFFFAOYSA-N 236.311 2.335 0 40 BEAB C[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](C)CN1 5723467 FKYVJLAHWSGDPJ-NTZNESFSSA-N 233.311 2.230 0 40 BEAB COc1ccccc1-c1ccccc1C(N)=O 6019350 FGIMLEOUWYBPNF-UHFFFAOYSA-N 227.263 2.461 0 40 BEAB CC(C)C(=O)Nc1onc2c1CCCC2 11914102 LAHWCMWSVRJBFW-UHFFFAOYSA-N 208.261 2.148 0 40 BEAB COc1ccc(C(=O)Nc2cccnc2)cc1F 12537150 FEDCRSDKWQAAMK-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CC(=O)Nc1ccc(CNC(=O)C2CCC2)cc1 12884313 TXHUMKVOXGDAFP-UHFFFAOYSA-N 246.310 2.061 0 40 BEAB Oc1ccc(O)c2c(O)cc(C(F)(F)F)nc12 13891717 OIWAJEBZLNIFHV-UHFFFAOYSA-N 245.156 2.370 0 40 BEAB CCC[C@@H]1NC(=O)N(Cc2cccc(C)c2)C1=O 14345145 FWOZAMQZJCHSIB-LBPRGKRZSA-N 246.310 2.216 0 40 BEAB Fc1ccc(NC(=S)n2cccn2)cc1 16546132 LLDQPCSJSQPHQZ-UHFFFAOYSA-N 221.260 2.267 0 40 BEAB Cc1ccc(-n2cnnc2S)cc1C 16957952 UVJLLMUPSRXKHR-UHFFFAOYSA-N 205.286 2.173 0 40 BEAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1N 20220726 PQDRWJUBXAQJQO-JTQLQIEISA-N 232.327 2.449 0 40 BEAB COC(=O)[C@@H](C(C)C)N1CCCCCC1 22123395 XDQPQKPDOHHYTL-LLVKDONJSA-N 213.321 2.060 0 40 BEAB CC[C@H](C)C(=O)Nc1cccc(CN)c1 22177361 XCJGXWRVOSGDDO-VIFPVBQESA-N 206.289 2.130 0 40 BEAB in-vitro NCCc1nc2ccc(Cl)cc2s1 31895032 CQDDZUMUYAIZNC-UHFFFAOYSA-N 212.705 2.451 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)[C@@H]1C 32628628 SYZSJULANIBEEQ-GMTAPVOTSA-N 221.304 2.266 0 40 BEAB NCCCC1(C2OCCO2)CCCCC1 34452400 BOMJITAMLAALOQ-UHFFFAOYSA-N 213.321 2.049 0 40 BEAB Cc1oc(C)c(C(=O)Nc2cn[nH]c2)c1C 35237944 ZZVTVHRHEIDUES-UHFFFAOYSA-N 219.244 2.180 0 40 BEAB Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 35728308 QYEHERJXNTXVNQ-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro C[C@@](C(=O)O)(c1ccc(F)cc1)N1CCCC1 37359512 WXROMYIJVXTJER-ZDUSSCGKSA-N 237.274 2.221 0 40 BEAB c1ccc2[nH]c(N3CCSCC3)nc2c1 40175466 WGBZUSKORRLYGL-UHFFFAOYSA-N 219.313 2.116 0 40 BEAB C[C@@H]1CCCN(C(=O)CSC(F)(F)F)C1 40513884 ZVXQESVBBBJSOA-SSDOTTSWSA-N 241.278 2.498 0 40 BEAB Cc1nc(CSCCC(=O)N(C)C)cs1 42751813 ZWOFHJQPRWHBOS-UHFFFAOYSA-N 244.385 2.163 0 40 BEAB CCCc1nc2ccc(F)cc2c(=O)[nH]1 48606563 FJRNNLWPIKMRLD-UHFFFAOYSA-N 206.220 2.015 0 40 BEAB CC(C)(C)C(=O)Nc1nnc(C(F)F)s1 49043576 AQCJBBRHMWMWJL-UHFFFAOYSA-N 235.259 2.460 0 40 BEAB CC1(C)Nc2cc(F)c(F)cc2NC1=O 57926823 XGGKMORUOQLCTD-UHFFFAOYSA-N 212.199 2.107 0 40 BEAB CCCCN(C)C(=O)c1cccnc1S 58626510 HPUNFJXJKXOEED-UHFFFAOYSA-N 224.329 2.242 0 40 BEAB COCCN(Cc1cc(C)on1)CC(C)C 65575443 BNYLDZRNDGSACS-UHFFFAOYSA-N 226.320 2.087 0 40 BEAB COCCN1C[C@H](c2ccccc2)OCC1(C)C 65613070 NCDQYYCDUPJCLR-CQSZACIVSA-N 249.354 2.485 0 40 BEAB CSC[C@H](C)C(=O)Nc1cccnc1 66757783 BFHOQOBOPWYHHB-QMMMGPOBSA-N 210.302 2.019 0 40 BEAB N=C(N)SCC(=O)c1ccc(Cl)cc1 68584051 QGNWXRJVRBMDJP-UHFFFAOYSA-N 228.704 2.149 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)C(=O)O 77389074 LHCJPDONJNMLDQ-SSDOTTSWSA-N 241.674 2.308 0 40 BEAB O=C(O)[C@@H]1CCN(c2ccccc2Cl)C1 84499328 FPGYADRKFPWWLU-MRVPVSSYSA-N 225.675 2.251 0 40 BEAB in-vitro C[C@H]1C[C@@H](C(=O)OC2(C)CCC2)CCC1=O 95461539 KZHQJEHEUQINIJ-UWVGGRQHSA-N 224.300 2.478 0 40 BEAB Cc1cc2c(NCc3ncc[nH]3)ncnc2s1 95986683 AYGJIIGITCLHSG-UHFFFAOYSA-N 245.311 2.335 0 40 BEAB COC(=O)[C@@H](NCc1ccsc1)C(C)(C)C 97162279 MNOPMORBIRYDBI-SNVBAGLBSA-N 241.356 2.425 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCNC1CCCCCC1 122232432 BGNRNVIHSONJNQ-YPMHNXCESA-N 238.375 2.071 0 40 BEAB Cc1nc(C2CC2)ncc1C(=O)NC(C)(C)C 222560053 OXDIFRPZMRTXSK-UHFFFAOYSA-N 233.315 2.191 0 40 BEAB C[C@@H]1Nc2ccccc2[C@@H](C)[C@H]1C(=O)O 242648383 QVQNTCOQTCPKLU-VHSKPIJISA-N 205.257 2.305 0 40 BEAB Cc1cccc2c1CCCN2C[C@@H]1CCC(=O)N1 649532831 RNXRBFZNKMEMCE-LBPRGKRZSA-N 244.338 2.026 0 40 BEAB CN(CCF)c1ccnc(Br)c1 2362801716 NZBANZJCUDHNEP-UHFFFAOYSA-N 233.084 2.250 0 40 BEAB COc1ccc(C[C@H](O)CN2CCCCC2)cc1 53057 VHLSAKLWWYXBNZ-AWEZNQCLSA-N 249.354 2.085 0 40 BEAB CCOC(=O)c1snnc1-c1ccccc1 159328 MGNPWNGXBGYBQJ-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB O=C1c2ccccc2C(=O)N1C/C=C/Cl 1693037 FMJZFRSTADBDHL-ZZXKWVIFSA-N 221.643 2.035 0 40 BEAB CCCCOC(=O)[C@@H](C)OC(=O)OCCC 1698694 PQBXRACZRRKSHV-SECBINFHSA-N 232.276 2.281 0 40 BEAB OC[C@H](Cc1ccccc1)N1CCCCC1 3636775 MKPWVSUPSWNGNB-AWEZNQCLSA-N 219.328 2.076 0 40 BEAB C[C@@H]1CC=NN1C(=S)Nc1ccccc1 4676479 HJLVLYBSZJORNY-SECBINFHSA-N 219.313 2.463 0 40 BEAB COc1cc(/C=C\C(=O)O)cc(Cl)c1O 4683177 JPBRRRVTXWVBIF-IHWYPQMZSA-N 228.631 2.152 0 40 BEAB CCN(CCO)C(=O)c1ccc(C(C)(C)C)cc1 4979983 VDAHBCIKPBYXBA-UHFFFAOYSA-N 249.354 2.439 0 40 BEAB Cn1ncc2c(Nc3ccc(F)cc3)ncnc21 5347769 NVKKWWLHTLDUBU-UHFFFAOYSA-N 243.245 2.246 0 40 BEAB Cc1cccc(C)c1OCc1nnc(S)n1C 6557024 YECKHZMWTIKHRR-UHFFFAOYSA-N 249.339 2.300 0 40 BEAB CO[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1 8958852 QNYVXKQKMPCTFY-CQSZACIVSA-N 249.285 2.477 0 40 BEAB Cc1ccc(C2(CN)CCOCC2)cc1 13483673 JSUULOSSQLONME-UHFFFAOYSA-N 205.301 2.002 0 40 BEAB in-vitro S=c1[nH]cnc(S)c1Br 17302176 GBRYMZJQXDLLFF-UHFFFAOYSA-N 223.120 2.190 0 40 BEAB Nc1cnc(-c2cnc3ccccc3c2)cn1 20877857 LHCFLMSYWGJJIX-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB CN(Cc1cnn(C)c1)C(=O)Nc1ccccc1 24463888 LNBZYQCRQXYRLQ-UHFFFAOYSA-N 244.298 2.084 0 40 BEAB CCCc1c(-c2ccncc2)noc1N 26512704 OHWKHPFMVMBUOH-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB CCOC(=O)[C@H]1CCCN(c2cccc(N)c2)C1 26896359 QUEDYSWENMZWIY-NSHDSACASA-N 248.326 2.048 0 40 BEAB Fc1ccccc1COC[C@H]1CCCNC1 28521951 OOUSAOAGASYHFD-NSHDSACASA-N 223.291 2.342 0 40 BEAB O[C@H](CNCc1ccccc1)c1ccco1 32013185 NWMGVDCFKHVCDX-GFCCVEGCSA-N 217.268 2.103 0 40 BEAB in-vitro OCc1ccc(-c2ccccc2F)nc1 35630057 RVYYLAZPTRVBSX-UHFFFAOYSA-N 203.216 2.380 0 40 BEAB CCC[C@@](C)(NC(=O)CC(C)(C)C)C(=O)O 36339498 XMIYWTBLGWWFAQ-GFCCVEGCSA-N 229.320 2.182 0 40 BEAB CCCNC(=O)c1ccc(CSC)o1 40459994 CNUOFOFHWWMMOR-UHFFFAOYSA-N 213.302 2.282 0 40 BEAB Cc1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 41127948 FYWPCXLWTYCAKS-UHFFFAOYSA-N 233.242 2.401 0 40 BEAB COc1cc2c(cc1C(F)(F)F)NC(=O)C2 43828005 ASXQIFMMGBUAEZ-UHFFFAOYSA-N 231.173 2.209 0 40 BEAB Cc1ccc(C(=O)NCC2(O)CCCC2)c(C)c1 44158333 ILCSMEXBLFSJKH-UHFFFAOYSA-N 247.338 2.338 0 40 BEAB Cc1ccc(CNC(=O)c2cccs2)cn1 47556925 KJMXJQOJOMLQGV-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CCOC(=O)c1c(C)ccc(C)c1OC 57339704 NGKDCRUZFYCGPU-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB N=C(N)COc1c(Cl)cccc1Cl 57840603 CQZOJGXUJKRJOX-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB CCOc1ccc(-c2ccc(C)c(N)c2)nn1 61966070 LZTXFCRXHUEKHQ-UHFFFAOYSA-N 229.283 2.433 0 40 BEAB N[C@@]1(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1 62712935 CEPAFJXWXPXGOY-WKEGUHRASA-N 246.093 2.263 0 40 BEAB O=c1ccc2c(Br)ccc(F)c2[nH]1 70054955 KQKSIZGEZCJLMJ-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB CN(C)[C@@H](CO)c1cccc(C(F)(F)F)c1 70453049 GKYFBEWQEJXFCM-JTQLQIEISA-N 233.233 2.300 0 40 BEAB CN(C)[C@@](C)(CO)c1ccccc1Cl 70453425 FQFJAUZIIRJXNS-NSHDSACASA-N 213.708 2.109 0 40 BEAB CC(C)CCC(=O)NC[C@H](O)Cc1ccccc1 71856889 SZCLATYVQAURHT-CQSZACIVSA-N 249.354 2.142 0 40 BEAB CONC(=O)NCC[C@@H]1CCC[C@H](C)C1 71909182 YJJKEYWOCMMEGS-UWVGGRQHSA-N 214.309 2.063 0 40 BEAB CCc1ccc(C(=O)NO[C@@H]2CCCCO2)o1 72059940 JSEZIPBMLLTKHK-LLVKDONJSA-N 239.271 2.030 0 40 BEAB CSc1ccc([C@H]2CCCCN2C=O)cn1 72216914 VNFZFRDPGKUDPR-LLVKDONJSA-N 236.340 2.487 0 40 BEAB Cc1ncsc1C(=O)OCC[C@@H]1CCCO1 79015951 KHIIVSCPBHJYFY-VIFPVBQESA-N 241.312 2.177 0 40 BEAB CCCNC(=O)CN1C[C@H](C)[C@@H]1c1ccccc1 81574671 KCYFXQCUXXEMER-SWLSCSKDSA-N 246.354 2.206 0 40 BEAB COCCN1C[C@H](C)[C@H]1c1ccccc1 81575127 SOYYRQOYUDFRHQ-AAEUAGOBSA-N 205.301 2.326 0 40 BEAB Cn1ccc2nccc(Br)c21 82326525 VTDRYVVPBJRLPB-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB CCOc1ccc(C=O)c2cccnc12 83224155 JMOLMISJTXFEFR-UHFFFAOYSA-N 201.225 2.446 0 40 BEAB Fc1cnc(NCC2(c3ccncc3)CC2)nc1 91624398 KVUZRDUWQTVOHR-UHFFFAOYSA-N 244.273 2.154 0 40 BEAB CO[C@@H](C)CCOC(=O)c1csc(C)n1 96442876 RCPAFZDTLDHBLS-ZETCQYMHSA-N 229.301 2.033 0 40 BEAB CC(C)CC1(C(=O)N[C@H](C)CC(=O)O)CCC1 97019324 OQOJRNBIYFIJCA-SNVBAGLBSA-N 241.331 2.182 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CC=CC[C@H]2C1 98018824 UIVZHBPMADHSCH-RYUDHWBXSA-N 230.311 2.361 0 40 BEAB NC1(c2ccccc2C(F)(F)F)CCNCC1 98213731 UKNQLVIOVZGXLR-UHFFFAOYSA-N 244.260 2.243 0 40 BEAB COc1ccc(/C=C(/S)C(=O)O)cc1 100338038 AMARKEGDFSBLFC-RMKNXTFCSA-N 210.254 2.051 0 40 BEAB CCCn1cc(CNCCC(C)C)cn1 116912062 ZRJSMSJEMMSSEO-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB Oc1cccc(F)c1OCC(F)(F)F 169795930 AIBIIBHHXINTLM-UHFFFAOYSA-N 210.126 2.472 0 40 BEAB C1=CC[C@@H](CN2CCCC3(C2)OCCO3)CC1 184721979 FMHRNLGIJHJQQL-CYBMUJFWSA-N 237.343 2.182 0 40 BEAB CCOC[C@@H](C)OC(=O)c1ccc(C)o1 190740880 PPVXIOGQSJZYAB-SECBINFHSA-N 212.245 2.170 0 40 BEAB CCc1ccc(C(=O)[C@H]2C[C@@H]2C(=O)O)cc1 217816039 JLOMSCUIDGZYPV-QWRGUYRKSA-N 218.252 2.152 0 40 BEAB COc1ccc(CN[C@H]2CCCC[C@H]2N)cc1 218855401 KQAPSBRQIROFNT-KGLIPLIRSA-N 234.343 2.055 0 40 BEAB CC(C)(C)OC(=O)NC[C@H](C(=O)O)C1CCC1 255188666 KRTPOTRMUZEEHK-VIFPVBQESA-N 243.303 2.012 0 40 BEAB Cc1cnc(C)c(N(C)Cc2ccncc2)n1 298122279 CCPROZNMAXQPCK-UHFFFAOYSA-N 228.299 2.125 0 40 BEAB Cc1ncccc1OC[C@@H]1CCCOC1 335975582 BIOUZYORYKHNMI-LLVKDONJSA-N 207.273 2.195 0 40 BEAB COC(=O)[C@@H]1C[C@H]1c1cc(F)cc(F)c1 1857793776 OFYRFZIWDXLNIV-VHSXEESVSA-N 212.195 2.241 0 40 BEAB O=C1CCC(=O)c2oc3ccccc3c2N1 51666 YXYAMNCREGTQOU-UHFFFAOYSA-N 215.208 2.348 0 40 BEAB biogenic CCC(=O)c1c(OC)cc(OC)c(OC)c1O 481601 WEGIFAYABXLPGL-UHFFFAOYSA-N 240.255 2.011 0 40 BEAB CC[C@@H](C(=O)OC)C(=O)c1ccccc1 1555470 CXWXQPHSTDDVEV-SNVBAGLBSA-N 206.241 2.069 0 40 BEAB C[C@](O)(C(=O)O)c1cccc2ccccc12 1678881 GASZMNCYHARHHI-CYBMUJFWSA-N 216.236 2.132 0 40 BEAB in-vitro CCOC(=O)/C=C/P(=O)(OCC)OCC 1736336 VQPAJPYWCZUTGK-BQYQJAHWSA-N 236.204 2.329 0 40 BEAB COc1cc(OC)nc(-c2cccs2)n1 1741438 KGPMAYNHVDBOBB-UHFFFAOYSA-N 222.269 2.222 0 40 BEAB CCOc1ccccc1-c1nnc(N)s1 3162940 VAFVCVLKNXTRGK-UHFFFAOYSA-N 221.285 2.186 0 40 BEAB Cc1cccc(/C=C2/SC(=O)N(C)C2=O)n1 6422408 SXRHQLBNIHTABB-RMKNXTFCSA-N 234.280 2.056 0 40 BEAB CC(C)c1ccc(CN(C)[C@@H](C)C(N)=O)cc1 7292110 CTAXUALWWMOCNK-NSHDSACASA-N 234.343 2.116 0 40 BEAB Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N 8581736 GSPDIHHLHQTKJB-UHFFFAOYSA-N 202.257 2.036 0 40 BEAB CCOC(=O)c1cn[nH]c1-c1ccc(F)cc1 8700040 SMIDIXPTHCPZEZ-UHFFFAOYSA-N 234.230 2.393 0 40 BEAB C/C=C/CN(C)CC(=O)Nc1cccc(F)c1 9501413 VPDBPLHYAPPQML-ONEGZZNKSA-N 236.290 2.272 0 40 BEAB CN(C)Cc1ccc([C@H](N)c2ccncc2)cc1 11832613 SQRUTHVJDRPFLH-HNNXBMFYSA-N 241.338 2.191 0 40 BEAB CC1=NNC(=O)O[C@@]1(C)CCc1ccccc1 12416848 XQPUETWVLCRNFJ-ZDUSSCGKSA-N 232.283 2.494 0 40 BEAB C[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 12982632 SLZSDRMJALYSCC-GXTWGEPZSA-N 219.328 2.452 0 40 BEAB O=C(O)/C=C/c1cnc(-c2ccccc2F)nc1 15418366 LAJVCJQPVUDZAF-AATRIKPKSA-N 244.225 2.381 0 40 BEAB O=C(O)CCc1ccc(OC(F)F)cc1 19809007 FOBBJWXKCGHQLT-UHFFFAOYSA-N 216.183 2.305 0 40 BEAB in-vitro COc1ccc([C@H](C)NC(=O)C2CC2)cc1 19935137 WDILXILTPUTBKD-VIFPVBQESA-N 219.284 2.282 0 40 BEAB C[C@H]1CN(c2ccccc2C=O)C[C@@H](C)O1 20078943 JSCXWWYPBOWKLA-PHIMTYICSA-N 219.284 2.113 0 40 BEAB in-vitro CC[C@@H](C)OC(=O)Cc1ccccc1N 20155663 VCXFQKRWGNZPMI-SECBINFHSA-N 207.273 2.153 0 40 BEAB CCN(CC)Cc1cc(C(=O)O)ccc1OC 22200846 UVWUAFOJDZRLDO-UHFFFAOYSA-N 237.299 2.235 0 40 BEAB CCn1nc(C)c(CNC(=O)c2ccco2)c1C 28225091 NTRPTNPUNJLATJ-UHFFFAOYSA-N 247.298 2.043 0 40 BEAB c1ccc2c(c1)CCC[C@H](N1CCOCC1)C2 31688602 YXHVRKMBBILLSE-HNNXBMFYSA-N 231.339 2.266 0 40 BEAB CNC(=O)c1cc(Cl)ccc1Br 32772249 APIQZFSOQKVTRY-UHFFFAOYSA-N 248.507 2.462 0 40 BEAB COc1ccc(C)cc1CCNC(=O)NC1CC1 32843656 UKNFAJFKZZSXQJ-UHFFFAOYSA-N 248.326 2.008 0 40 BEAB O=C1NCCCC[C@@H]1Sc1ccccc1 34077956 VDMBFMQIWFRBSK-NSHDSACASA-N 221.325 2.447 0 40 BEAB Cn1cc(C=O)c(-c2cc(F)ccc2F)n1 36894390 YSXXOFSIVDSAQM-UHFFFAOYSA-N 222.194 2.178 0 40 BEAB COc1ccccc1[C@H](CN)N1CCC[C@H](C)C1 38809152 AWACISUOWGQNCH-JSGCOSHPSA-N 248.370 2.427 0 40 BEAB CC(=O)Nc1ccc(NC(=S)N2CCC2)cc1 41729656 IADNLEGPSYNKEH-UHFFFAOYSA-N 249.339 2.048 0 40 BEAB Cc1n[nH]c(C)c1CNCCOc1ccccc1 42267786 ZJWMOHAWOWOFLJ-UHFFFAOYSA-N 245.326 2.195 0 40 BEAB CCOCCOc1ncccc1Br 42376403 MTZOXIXMUOMIHK-UHFFFAOYSA-N 246.104 2.259 0 40 BEAB in-vitro Cc1ccc(C(C)C)cc1OC1CNC1 42769902 WVORQRPVAUEXQW-UHFFFAOYSA-N 205.301 2.469 0 40 BEAB COC(=O)[C@@H](C)CN[C@H](C)CCc1ccccc1 44288543 CBHOGIOVSJMKPU-QWHCGFSZSA-N 249.354 2.406 0 40 BEAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)[nH]n1 47555519 DBKXGJRVRMJAQO-SECBINFHSA-N 205.261 2.013 0 40 BEAB CC[C@@H](NC(C)=O)c1ccc2c(c1)OCCO2 48812738 SDVREEGDUBEYNN-LLVKDONJSA-N 235.283 2.045 0 40 BEAB CC(C)(C)NC(=O)c1scnc1Cl 48890525 WZCJMLAHLWYGEB-UHFFFAOYSA-N 218.709 2.325 0 40 BEAB COC(=O)CCc1csc(-c2ccncc2)n1 49836255 UJEDTTRQSGTMIU-UHFFFAOYSA-N 248.307 2.311 0 40 BEAB CC[C@H](C)NC(=O)COC(=O)c1ccc(C)cc1 57487352 OYWSNOYNXMRZMA-NSHDSACASA-N 249.310 2.067 0 40 BEAB CCn1cc(NC(=O)Cc2cccc(F)c2)cn1 58392332 MFKBKHLPUMRIMR-UHFFFAOYSA-N 247.273 2.223 0 40 BEAB CCc1nc(COC(=O)[C@@H](CC)OC)cs1 62326385 HOSDJDWDWYDGAQ-SECBINFHSA-N 243.328 2.174 0 40 BEAB CC(C)C(=O)NC[C@H](CC(=O)O)c1ccccc1 62702192 XWKFLAFKGXGJBM-LBPRGKRZSA-N 249.310 2.017 0 40 BEAB O=C(O)c1c[nH]cc1-c1ccc(O)cc1 72207377 JAMBJZWIWFBZID-UHFFFAOYSA-N 203.197 2.086 0 40 BEAB CCN1CCC[C@H]1c1cnc(N)cc1C 72218492 PDRQJDZEHQMEDT-NSHDSACASA-N 205.305 2.129 0 40 BEAB Nc1ccc(-c2cnc3n2CCCC3)cc1 72220360 HELYYYXDKRQLLE-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB CCC[C@@H](C)c1cc(NC(=O)c2cc[nH]n2)[nH]n1 76087980 USPLHHUEKBZTPV-MRVPVSSYSA-N 247.302 2.289 0 40 BEAB COC[C@H](C)OC(=O)c1cccc2c1ccn2C 77957222 MZUVGEXLCODAOZ-JTQLQIEISA-N 247.294 2.370 0 40 BEAB Cn1ccc([C@@H](N)c2ccc(Cl)cc2)n1 83573183 OJQMHFMFJQMYGG-NSHDSACASA-N 221.691 2.122 0 40 BEAB C[C@H](N)c1ccc(N2CCCOC2=O)cc1 83684234 BPBBHFHPMGPTKW-VIFPVBQESA-N 220.272 2.053 0 40 BEAB in-vitro C(=C1CCNCC1)c1ccc2c(c1)OCCO2 84512749 UDHYCWNUSLJRGO-UHFFFAOYSA-N 231.295 2.225 0 40 BEAB O=C(NC[C@H]1CO1)c1ccc(Cl)c(Cl)c1 95096919 FTQFTWQXQLTUQR-ZETCQYMHSA-N 246.093 2.122 0 40 BEAB CCOC(=O)CC1(CNC(C)=O)CCCCC1 95443731 HKMIYLKKESAMNU-UHFFFAOYSA-N 241.331 2.026 0 40 BEAB OCCC1(CN[C@@H]2CCCSC2)CCC1 97370976 QTNWKZTXKUPKTG-LLVKDONJSA-N 229.389 2.024 0 40 BEAB CCOC(=O)[C@@H]1CCCO[C@@H]1C(C)C 98095755 WVYBVCQXRFKMOW-NXEZZACHSA-N 200.278 2.001 0 40 BEAB in-vitro O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 102059026 MOABDNRPQYWPMS-SDDRHHMPSA-N 207.317 2.435 0 40 BEAB O=C(OCC1CCCCC1)c1cocn1 105760662 OJAQOUTZAWJORS-UHFFFAOYSA-N 209.245 2.412 0 40 BEAB CC(C)[C@@H](CNC(N)=O)Cc1ccccc1 188918751 MVOFZDGZVYIDSW-GFCCVEGCSA-N 220.316 2.170 0 40 BEAB Cc1cccc(N[C@@H](C)CCN2CCCC2=O)n1 195566824 CUIOEWRTPPSCMR-LBPRGKRZSA-N 247.342 2.203 0 40 BEAB CCc1cc(N)ccc1N1C[C@H](C)O[C@@H](C)C1 226315817 RYQXNSFJTNQCGL-QWRGUYRKSA-N 234.343 2.445 0 40 BEAB Cc1c(Cl)cc(F)c(NC(N)=O)c1F 334173271 AEGUCBKTGSGKCB-UHFFFAOYSA-N 220.606 2.417 0 40 BEAB Cc1cccn2cc(C(=O)N3CC[C@@H]3C)cc12 829144854 LQUPTQFSCUKFQT-NSHDSACASA-N 228.295 2.482 0 40 BEAB O=C(O)[C@H]1CCCC[C@H]1OC(F)(F)F 953109290 XOGSAPASFNJFLA-NTSWFWBYSA-N 212.167 2.166 0 40 BEAB FC(F)c1nnc2cc(Br)ccn12 1848350272 ILZVNVDFNKNKMF-UHFFFAOYSA-N 248.030 2.429 0 40 BEAB Clc1ccc(-c2nn[nH]n2)cc1Cl 116111 SPKVZXBNWCKHGR-UHFFFAOYSA-N 215.043 2.174 0 40 BEAB in-vitro O=C(/C=C/c1ccco1)N1CCCCC1 573082 SWJCXMHLOBVQAW-VOTSOKGWSA-N 205.257 2.305 0 40 BEAB O=C(O)c1cccc(NC(=O)c2cccnc2)c1 873432 ZPXHGRCNSBEEOL-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(F)cc1 5061924 BZFOKQOQPJKVAC-UHFFFAOYSA-N 247.225 2.194 0 40 BEAB COP(=O)(OC)[C@](C)(O)c1ccc(F)cc1 5377251 HDHFAHHYMOOBLK-JTQLQIEISA-N 248.190 2.477 0 40 BEAB CCOc1cccc(CO)c1OC(F)F 8734299 PRYSMGKHDBSOIH-UHFFFAOYSA-N 218.199 2.179 0 40 BEAB in-vitro COC(=O)Nc1cccc(NC(=O)OC)c1C 13438217 JNNLWOJZIPJIQG-UHFFFAOYSA-N 238.243 2.352 0 40 BEAB biogenic Nc1n[nH]c2ncc(-c3ccccc3)cc12 13489631 YJWFRUYKFYDTSQ-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB Oc1n[nH]c2c1cnc1cc(F)c(F)cc12 19626612 XSRCQLGOQXCMSP-UHFFFAOYSA-N 221.166 2.095 0 40 BEAB CCn1cc(NCc2cn(CC)nc2C)cn1 20350963 IXALWEKXFFQGSL-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB COc1ccc([C@@H]2CCCNC2)cc1OC 20417804 GFRXXGINNMABOS-LLVKDONJSA-N 221.300 2.171 0 40 BEAB C/C=C/[C@@H]1NCCc2cc(OC)c(OC)cc21 22113447 UOCYGISMICKYAI-ITKZLYELSA-N 233.311 2.467 0 40 BEAB CC[C@@](C)(C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 22122819 VFSIRZHPFARYNZ-UMNHJUIQSA-N 213.321 2.218 0 40 BEAB O=Cc1cnc(CCc2ccccc2)nc1 26505724 GDCSUPYPTOCBJA-UHFFFAOYSA-N 212.252 2.074 0 40 BEAB Cc1cc(NC(=O)N[C@@H](C)Cc2ccco2)no1 27351401 WUUFWCDIAXOVAQ-QMMMGPOBSA-N 249.270 2.329 0 40 BEAB CC[C@@H]1c2ccsc2CCN1S(C)(=O)=O 30426415 XXBUPVPWNDVYQO-SECBINFHSA-N 245.369 2.017 0 40 BEAB CC(C)COC(=O)[C@H](C)Oc1cccc(N)c1 31897078 LMZRUHAOWSBEFW-JTQLQIEISA-N 237.299 2.235 0 40 BEAB O=C([C@@H]1Cc2ccccc2S1)N1CCCC1 32876652 WUZUZBOLYMKPLF-LBPRGKRZSA-N 233.336 2.326 0 40 BEAB COC(=O)C[C@H]1CCc2cc(OC)ccc2C1=O 34192183 MTMJCLLEFXNRIV-SNVBAGLBSA-N 248.278 2.003 0 40 BEAB COC(=O)C[C@H](C)NCc1ccc(C)cc1 35748467 MWYNARUHGOETBJ-NSHDSACASA-N 221.300 2.036 0 40 BEAB CON(C)C(=O)c1nc(-c2ccccc2)oc1C 36739263 IBRIMFDOGRYEEX-UHFFFAOYSA-N 246.266 2.283 0 40 BEAB CN(C)c1cc(Br)ccc1C(=O)O 36985349 ACAOXPRZUJIGCS-UHFFFAOYSA-N 244.088 2.213 0 40 BEAB in-vitro CC(C)c1nccn1[C@H]1CCCC[C@@H]1O 37694211 IYRJOXOSRJODCP-QWRGUYRKSA-N 208.305 2.483 0 40 BEAB C[C@H](NC(=O)CCn1cccn1)c1cccs1 40480935 GFFHZJFKOUWDAR-JTQLQIEISA-N 249.339 2.212 0 40 BEAB O=C(O)C[C@@H]1CCCN1Cc1ccccc1F 42163737 RYMUKLALCSWZSB-NSHDSACASA-N 237.274 2.265 0 40 BEAB O=C(NCC1CCC1)NC(C1CC1)C1CC1 42328998 DJPADTDMWAZXHN-UHFFFAOYSA-N 222.332 2.274 0 40 BEAB Cc1noc([C@H](C)N2CCc3ccccc3C2)n1 42651694 TUFZBPOGGCBNHK-JTQLQIEISA-N 243.310 2.497 0 40 BEAB N#CNCc1cccc(C(F)(F)F)c1 52832085 LPIBGMHJSBMGKE-UHFFFAOYSA-N 200.163 2.276 0 40 BEAB CCOC(=O)[C@H](C)Oc1cc(F)cc(F)c1 54931903 LAGWWWXJIQKHSM-ZETCQYMHSA-N 230.210 2.295 0 40 BEAB Cc1ccccc1CN1C[C@H](C)NC[C@@H]1C 62608900 YLVKTJDVIKSJBH-STQMWFEESA-N 218.344 2.177 0 40 BEAB OCCCN(Cc1ccccc1F)C1CC1 65553986 LZSQJKKNXVCRLI-UHFFFAOYSA-N 223.291 2.173 0 40 BEAB CCN1CCC[C@@H]1c1ccc(N(C)C)nc1 72212587 QWHIRYRSSNOGCQ-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB Cc1cc([C@H]2CCCCN2C)cnc1N 72218455 YFECOKMUPBSPOH-LLVKDONJSA-N 205.305 2.129 0 40 BEAB CNc1ncc(C2=NCCCC2)cc1C 72218991 WWHPKYQKWLIAIH-UHFFFAOYSA-N 203.289 2.405 0 40 BEAB CC[C@H](O)c1ccc(N2CCCC2)nc1 72225430 VVRSJRZPMBOKBO-NSHDSACASA-N 206.289 2.125 0 40 BEAB NCCN(Cc1nccc2ccccc12)C1CC1 79422058 PFVJRNMILREGIB-UHFFFAOYSA-N 241.338 2.158 0 40 BEAB O=C(O)c1nc2c(Br)cccc2o1 82048565 XHOMXNKFAYGPRZ-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1 82164380 ZLVXMRWSDDVRFP-WFASDCNBSA-N 247.386 2.210 0 40 BEAB in-vitro Cc1cccc([C@@H](O)C2(CN)CC(C)C2)c1 85396034 JDTBFYJBBSQCOU-HRDQMINSSA-N 219.328 2.403 0 40 BEAB COC(=O)[C@]1(C)O[C@@]1(C)c1ccc(C)s1 85657910 KYRMNCDKAOXDCD-QWRGUYRKSA-N 226.297 2.234 0 40 BEAB Cc1cc(C)n(C[C@@H](C)Nc2ccccn2)n1 95403123 JJCLMWSBXGBRNR-LLVKDONJSA-N 230.315 2.396 0 40 BEAB C[C@@H](C[C@@H](O)c1ccco1)NCc1cccn1C 95448843 IYEFJRIFQICJPC-WCQYABFASA-N 248.326 2.220 0 40 BEAB Brc1cccc([C@]23CNC[C@H]2C3)c1 95742316 SGZGYHORYYBOLQ-KOLCDFICSA-N 238.128 2.310 0 40 BEAB CC(=O)Nc1cccc(-c2csnn2)c1 96096201 DYNZDIHBYIHONE-UHFFFAOYSA-N 219.269 2.164 0 40 BEAB CCn1cnc2cc(C(F)(F)F)cnc21 96510236 PGRRLKDOTZCZPG-UHFFFAOYSA-N 215.178 2.470 0 40 BEAB Cc1cc2c(cc1Br)NC(=O)C2 97455199 AZELOYIMXKBEDP-UHFFFAOYSA-N 226.073 2.252 0 40 BEAB Nc1c(-c2ccccc2)nc2n1CCCC2 100559415 VFMYCUDSWBLYMW-UHFFFAOYSA-N 213.284 2.469 0 40 BEAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1 100936858 PQUMMGONKCIJMR-GMTAPVOTSA-N 219.284 2.446 0 40 BEAB CCOC(=O)/C=C(\N)c1c(C)[nH]c2ccccc12 104080333 RQHHYENZFCUVLS-FLIBITNWSA-N 244.294 2.339 0 40 BEAB O=C1CCCn2c(Br)ccc21 116177166 ODHYQNKOIVOQBQ-UHFFFAOYSA-N 214.062 2.227 0 40 BEAB O=C(O)c1ccc(OCC(F)F)c(F)c1 130997481 CBJMOLRFMFWTNB-UHFFFAOYSA-N 220.146 2.168 0 40 BEAB NC(=O)Nc1cccc(F)c1Br 169800124 JRYKYOVYPGYRRR-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB O=C(O)[C@@H]1CCN1[C@@H](c1ccccc1)C1CC1 169802470 IGZBEONIJJAHDG-STQMWFEESA-N 231.295 2.297 0 40 BEAB Fc1[nH]nc2cc(Br)ccc12 217960918 RFYZNTLRAJVNQG-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB Cc1cc(N2CCSCC2)nc(C2CC2)n1 264611233 FJVXAKKXUBQCMG-UHFFFAOYSA-N 235.356 2.216 0 40 BEAB CC[C@@H](C)OCc1nn(C)cc1Cl 408715123 AONIAECCOKQVEI-SSDOTTSWSA-N 202.685 2.389 0 40 BEAB COc1cc(Br)cc(B(F)F)c1 585139563 NCJCQIZMEIUUHZ-UHFFFAOYSA-N 234.836 2.092 0 40 BEAB Cc1ncnc(N[C@H]2[C@H]3CCC[C@H]32)c1C 882274942 HTLIWHYHRZUSDP-JGPRNRPPSA-N 203.289 2.304 0 40 BEAB c1ccc(C2=C(NC3CCNCC3)C2)cc1 1560406241 VNPFWLKWGBVPCJ-UHFFFAOYSA-N 214.312 2.143 0 40 BEAB COC(=O)c1cnc2cc(F)c(F)cc2c1 1857788570 STNASRSNMJFHKY-UHFFFAOYSA-N 223.178 2.300 0 40 BEAB CCOC(=O)Nc1cccc2nsnc12 34329 VTONAKOKMCFQTE-UHFFFAOYSA-N 223.257 2.260 0 40 BEAB Br[C@]12CCCC[C@H]1CNCC2 158435 FPUFEUQHVSBEPE-IUCAKERBSA-N 218.138 2.304 0 40 BEAB COc1ccc(OCc2cccc[n+]2C)cc1 387347 PRUOVQXJQQYXSP-UHFFFAOYSA-N 230.287 2.099 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnccn1 410825 OYARWDONJQDSPR-SNVBAGLBSA-N 239.278 2.068 0 40 BEAB Cc1cc(Cl)c(OCC(=O)O)cc1C 1605364 IUBQIUUNTVPLEG-UHFFFAOYSA-N 214.648 2.420 0 40 BEAB C=CC(=O)NC(=O)Nc1ccc(Cl)cc1 1674972 JDXQNIPWMSWYCD-UHFFFAOYSA-N 224.647 2.174 0 40 BEAB Cc1ccc2cc(N(C)C)ccc2[n+]1C 1734847 BNVSKYZBTLRUFY-UHFFFAOYSA-N 201.293 2.039 0 40 BEAB O=C1CCCC[C@H]1Sc1ncccn1 6865140 BOVJZZRUUDXJAG-SECBINFHSA-N 208.286 2.080 0 40 BEAB CCOc1ccccc1-c1ncc(C(=O)O)cn1 8730978 LXIHLKOXDSANMS-UHFFFAOYSA-N 244.250 2.241 0 40 BEAB Cc1ccc(-n2c(C)ccc2C=O)nc1 9261687 JAECMMXYRLXUCN-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB CSc1ccc(NC(=O)c2ccnn2C)cc1 11695114 OQMYYIVEWZFVSS-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB Cc1nn(Cc2cccc(F)c2)c(C)c1C(=O)O 11920469 KAXHWSLQSOSHNQ-UHFFFAOYSA-N 248.257 2.386 0 40 BEAB CCOC(=O)CCn1nc(C)c(Cl)c1C 12395767 XNETWGOOMRRFSD-UHFFFAOYSA-N 230.695 2.107 0 40 BEAB c1ccc(CCn2nc3ccccc3n2)nc1 13235005 LDWJBUBFZNZZFS-UHFFFAOYSA-N 224.267 2.069 0 40 BEAB O=C1C[C@@H](c2ccc(F)cc2F)c2cn[nH]c2N1 15083339 YYRKUIUQAYBENO-QMMMGPOBSA-N 249.220 2.162 0 40 BEAB O=C(NCCc1ccco1)c1ccccc1F 17910054 BFGPNJQFSYPKDV-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB Fc1cccc(C2=N[C@H]3C=NN=C3S2)c1 17957922 MRLHMCJNMYFVTB-QMMMGPOBSA-N 219.244 2.086 0 40 BEAB COC[C@H](C)OC(=O)c1cc(Cl)ccc1N 20155173 BVRUXXUSEDIETO-ZETCQYMHSA-N 243.690 2.114 0 40 BEAB CO[C@@H](C(=O)NCc1ccco1)c1ccccc1 20238652 LJMVBDWXOGEBKP-CYBMUJFWSA-N 245.278 2.284 0 40 BEAB Cc1ccc(C)c(CN2CCOCC2)c1 23282025 KVNDJNNBCGBVBR-UHFFFAOYSA-N 205.301 2.136 0 40 BEAB c1ccc(OCCNCc2cccs2)nc1 35287304 QDVXDBSTYFTXTL-UHFFFAOYSA-N 234.324 2.312 0 40 BEAB Cc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1 37859975 PAHDJDXUMQUQHA-GFCCVEGCSA-N 248.370 2.388 0 40 BEAB CC[C@@H](C)Nc1ccc(N)cc1C(=O)OC 41046108 GCQUFPPAMNRKIO-MRVPVSSYSA-N 222.288 2.266 0 40 BEAB COc1ncccc1NC(=O)NC1CCCC1 48287674 TYTHVQHTNGDVLD-UHFFFAOYSA-N 235.287 2.154 0 40 BEAB CCC[C@H](C)CNCCN1CCCCC1 49574615 HFNLPCSLCUZDRI-ZDUSSCGKSA-N 212.381 2.498 0 40 BEAB COc1ccc(CC2(C(=O)O)CC2)cc1OC 49827980 QZFMUWORZRQORO-UHFFFAOYSA-N 236.267 2.111 0 40 BEAB Nc1n[nH]c2nc(C3CC3)cc(C(F)(F)F)c12 52508087 SLKOLWASIPNGDL-UHFFFAOYSA-N 242.204 2.436 0 40 BEAB CCCCC[C@@H](C)NC(=O)[C@@H]1CCOC1 69314088 SRRBAGXXJFANTJ-GHMZBOCLSA-N 213.321 2.108 0 40 BEAB C[C@@H](CCC(=O)O)NC(=O)C1CCCCCC1 70309725 DEJRLTBNSPJNEY-JTQLQIEISA-N 241.331 2.326 0 40 BEAB C[C@H](O)c1ccc(S[C@H]2CCOC2=O)cc1 70621192 CWVCDNJHJPPAQD-KWQFWETISA-N 238.308 2.148 0 40 BEAB Cc1c(C)c(C)c([C@H](N)C(=O)O)c(C)c1C 72196295 ACSNAEZQZPSDQM-LBPRGKRZSA-N 221.300 2.313 0 40 BEAB CC[C@H](O)c1ccc(N(CC)CC)nc1 72225258 ZBOGBCFHZXQTNY-NSHDSACASA-N 208.305 2.371 0 40 BEAB CC(C)N1CCC[C@@H](Cc2nccn2C)C1 72356983 HDZMXGIFJMATSD-LBPRGKRZSA-N 221.348 2.083 0 40 BEAB O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CCN1 74148208 HRHIKSLSMMWSSH-QWRGUYRKSA-N 211.305 2.020 0 40 BEAB CCCCNC(=O)Cc1ccc(OC)c(C)c1 74959604 WGEIZLHZKJMNKT-UHFFFAOYSA-N 235.327 2.462 0 40 BEAB CC(C)(C)[C@@H](O)CCNC(=O)[C@@H]1CC=CCC1 75170580 ONCJMTMBEOKBKK-NEPJUHHUSA-N 239.359 2.256 0 40 BEAB Cc1cc([C@@H](N)CC(=O)O)ccc1Cl 75450061 PGVQYUDBNHECEK-VIFPVBQESA-N 213.664 2.123 0 40 BEAB Cc1ccc(F)c(C(=O)NCc2ccn(C)c2)c1 81379162 XUBUHVDFZWDIBW-UHFFFAOYSA-N 246.285 2.403 0 40 BEAB C[C@@H]1Oc2cc(Br)ccc2[C@H]1N 87015802 MAUVFYGVIZXQHV-CDUCUWFYSA-N 228.089 2.230 0 40 BEAB CN(Cc1cccc(N(C)C)c1)Cc1ncc[nH]1 89922549 DMDCCZHVBDADCN-UHFFFAOYSA-N 244.342 2.108 0 40 BEAB C[C@H]1CC[C@@H](C(=O)Nc2cc(O)cc(F)c2)O1 95450290 ZTASEZBMIDZFTR-CPCISQLKSA-N 239.246 2.037 0 40 BEAB CC(C)Nc1ccc(F)cc1CS(C)(=O)=O 95965866 MTNIGWGZNHFMPV-UHFFFAOYSA-N 245.319 2.191 0 40 BEAB CCC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 96002813 HNPDGIIQOUCYDK-NSHDSACASA-N 235.331 2.368 0 40 BEAB CSC(C)(C)CNC(=O)Nc1cc(C)on1 96433670 XNZRWIBAHXXSBV-UHFFFAOYSA-N 243.332 2.246 0 40 BEAB CCCCC[C@@H](NC(=O)C1CC=CC1)C(=O)O 97036366 ONZXZIQHCQXEMM-LLVKDONJSA-N 239.315 2.102 0 40 BEAB C[C@@H](CCn1cccn1)OC(=O)c1ccco1 97050242 BHWQTWXJVIBPJR-JTQLQIEISA-N 234.255 2.112 0 40 BEAB C[C@@H]1CN(Cc2cscn2)C[C@@H](C)S1 98015859 GTUHFJUZVODZDL-RKDXNWHRSA-N 228.386 2.469 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CC(=O)O 100362737 HBQRMLMRLPXAGZ-DNSOKLHBSA-N 210.273 2.103 0 40 BEAB COc1ccc(-n2cnc3c(C)ncnc32)cc1 143611773 VFBMHGHUEWNEJM-UHFFFAOYSA-N 240.266 2.133 0 40 BEAB Cc1cc(C)c2c(NCCN)ccnc2c1 222677192 LSULNBGROOONQQ-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB CCc1ccc(CNC[C@@H]2CCCO2)n1CC 226019714 GCXHNYCMTFBDNT-AWEZNQCLSA-N 236.359 2.339 0 40 BEAB Cc1ccnc(COc2cccc(C(=O)O)c2)n1 226105757 AYWLOZJPDMZOLG-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccc2c(c1)CCO2 575358412 SXYDWDYEVFSMFD-UHFFFAOYSA-N 248.278 2.146 0 40 BEAB CCc1cc(C=O)ncc1Br 694986277 WVCOOUIQGYEDNU-UHFFFAOYSA-N 214.062 2.219 0 40 BEAB c1csc(N2CCOC[C@@H]2CC2CC2)n1 896636828 IBEKPGYOIKVOFJ-JTQLQIEISA-N 224.329 2.148 0 40 BEAB Cc1nc2ccc(N)c(Cl)c2nc1C 1535646334 ZXCRQVPYLDCAOI-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB CCC(C)(C)C(=O)NCc1ccncc1 30843 RPJXDPRNKGMPGK-UHFFFAOYSA-N 206.289 2.134 0 40 BEAB Cc1nnc2n1N=C(c1cccs1)CS2 119129 AKPXBAHBSSZFDU-UHFFFAOYSA-N 236.325 2.006 0 40 BEAB CC(C)(C)c1nc2ccccc2c(=O)[nH]1 316083 ATMCEAIRSPRVAW-UHFFFAOYSA-N 202.257 2.221 0 40 BEAB c1cc2c3c(cccc3c1)C1=NCCN=C12 1460501 XCTQRFZIODHMEI-UHFFFAOYSA-N 206.248 2.445 0 40 BEAB biogenic COC(=S)c1cccc(C(=S)OC)c1 1567491 HCLAQZIDWISRDC-UHFFFAOYSA-N 226.322 2.330 0 40 BEAB COc1cc(C=O)c(Cl)cc1OC(C)=O 1621367 PJHJFLMBMQJZSH-UHFFFAOYSA-N 228.631 2.086 0 40 BEAB C[C@H]1Cc2ccc(O[C@H](C)CN(C)C)cc2C1=O 1675080 NWMZWVSNWLBQCA-WDEREUQCSA-N 247.338 2.390 0 40 BEAB COc1cc([C@@H]2OCC[C@@H](C)O2)ccc1O 1676491 ZVJUAEJHNVXHHC-PRHODGIISA-N 224.256 2.225 0 40 BEAB CC[C@@H](CC(C)C)C(=O)OCCOC 2042417 UUWAEGBBWCZTRZ-JTQLQIEISA-N 202.294 2.248 0 40 BEAB COC(=O)[C@@H](CC(=O)O)CC1CCCCC1 2243711 TYYNOKUMAOAVBK-SNVBAGLBSA-N 228.288 2.221 0 40 BEAB Cn1ccnc1C(=O)c1ccccc1Cl 3104140 XUOHNXMVWFHIDF-UHFFFAOYSA-N 220.659 2.305 0 40 BEAB in-vitro O=C1Cc2ccccc2C(=O)N1Cc1ccco1 3187782 JFBBNSSGSSOLRG-UHFFFAOYSA-N 241.246 2.005 0 40 BEAB CCOC(=O)c1cc2ccccc2oc1=N 4464627 VIDQZOIHGUAFDH-UHFFFAOYSA-N 217.224 2.089 0 40 BEAB CC(C)CNC1OCc2ccccc2CO1 5497992 PVGCFHBJSPKDLC-UHFFFAOYSA-N 221.300 2.263 0 40 BEAB O=C(Nc1ccc(Cl)cn1)c1ccccn1 5877069 LPYMWTDEHFLVPW-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB Cc1cc(C(=O)Nc2nc3c(s2)CCC3)no1 9204116 AROGAQIRAUIJJH-UHFFFAOYSA-N 249.295 2.181 0 40 BEAB CC[C@@H](C)n1ncc2c(C)cc(=O)[nH]c21 12505316 BLWGJZHWFQZNJY-MRVPVSSYSA-N 205.261 2.004 0 40 BEAB CNC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 13011735 QBTPZZFSYMBMHV-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCN2)c(Cl)c1 20362725 OJVQNYWGGIKICO-NSHDSACASA-N 238.718 2.339 0 40 BEAB COc1ccccc1/C=C/CN1CCC[C@H]1CO 23279890 IGRCHVGAGHLDAN-GBXSZLQWSA-N 247.338 2.165 0 40 BEAB Cc1noc(C(=O)O)c1NC(=O)OC(C)(C)C 26441277 GGLHVKSROBWKIL-UHFFFAOYSA-N 242.231 2.028 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCO2 31343620 GRKQWTRDLYRPKY-LDYMZIIASA-N 217.268 2.216 0 40 BEAB CCC(=O)N[C@@H](c1ccccc1)c1nccn1C 32843433 RQDKAYWTNPUQIT-ZDUSSCGKSA-N 243.310 2.036 0 40 BEAB CC(C)c1ccc(/C=C/C(=O)NCC(=O)O)cc1 33435081 SXORWMWWBSWEDG-VMPITWQZSA-N 247.294 2.024 0 40 BEAB CC(C)[C@@H](NCC1CCCCC1)C(=O)O 35391148 UIZOFHYSVUAIKV-LLVKDONJSA-N 213.321 2.266 0 40 BEAB CC(C)NC(=S)NCC1CCCCC1 35585863 QHUMZDNGNYCRRS-UHFFFAOYSA-N 214.378 2.439 0 40 BEAB CSc1nnc(-c2ccc(N)cc2)o1 39932743 ZGPRLHRLIIDGSF-UHFFFAOYSA-N 207.258 2.041 0 40 BEAB COc1ccc(C)cc1Cn1ccccc1=O 39981977 MDFVLBQSADRCAF-UHFFFAOYSA-N 229.279 2.214 0 40 BEAB CON(C)C(=O)Cc1ccc(-n2cccc2)cc1 40080008 RNQUZRBTMHZMIB-UHFFFAOYSA-N 244.294 2.040 0 40 BEAB Cc1ccc(NC(=O)CCOCC(C)C)nc1 40525026 NXXVRFPPCQUFOC-UHFFFAOYSA-N 236.315 2.391 0 40 BEAB Cc1ccccc1Nc1ccc(N)cc1C(N)=O 41082347 LBFVZSIZNDYSPY-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB CCCc1ccc(O[C@@H]2CCNC2)cc1 42782880 KLVUEIHCRJEBJV-CYBMUJFWSA-N 205.301 2.380 0 40 BEAB CCCC(=O)c1ccc(C(=O)OC)cc1 59756028 KTZOAXDUBMENLM-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB CCCCNCc1ccccc1OCC(=O)O 62716822 OPVZIAVAQKUELE-UHFFFAOYSA-N 237.299 2.040 0 40 BEAB CC1(C)CN(c2ncnc3sccc23)CCO1 71844448 XKSOYEFGHVGOHU-UHFFFAOYSA-N 249.339 2.307 0 40 BEAB CC(=O)N[C@@]1([C@@H]2C=CCCC2)C=COCC1 72194101 CVVYCUUQSLWFTJ-OLZOCXBDSA-N 221.300 2.152 0 40 BEAB Cc1cc(C)c2nc3c(cc2c1)CNCCO3 72373422 WBRSTFUNQJXIJL-UHFFFAOYSA-N 228.295 2.334 0 40 BEAB CCc1nn(CC)c(=O)c2cc3ccsc3n12 72373505 ZTNHIUHTVDWDFC-UHFFFAOYSA-N 247.323 2.293 0 40 BEAB CC[C@H](Oc1ccccc1F)C(=O)NC1CC1 78700666 YHAUWCKPSGTPSB-NSHDSACASA-N 237.274 2.262 0 40 BEAB Cc1ncsc1C(=O)OCCc1cccnc1 78948211 GRJFAFYKOWWOMB-UHFFFAOYSA-N 248.307 2.246 0 40 BEAB CNC(=O)C(C)(C)Oc1cccc(Cl)c1 79034163 DZQCNMLEFVHVMO-UHFFFAOYSA-N 227.691 2.243 0 40 BEAB c1ccc(-c2nc3c(s2)CNC3)cc1 84365713 IZHAHQIUNRBFRD-UHFFFAOYSA-N 202.282 2.413 0 40 BEAB in-vitro CCCNC(=O)c1cc(-n2cccc2)ccn1 85472826 LRZFQXLCVVOWNG-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB Cc1ccsc1[C@H](C)NC[C@H](C)[S@](C)=O 90843219 FIGOVBXDXXRXPL-AMJWSMQMSA-N 245.413 2.474 0 40 BEAB CCc1nccn1Cc1nnc(C(C)C)o1 95441073 FPOORFAUCRZWEC-UHFFFAOYSA-N 220.276 2.000 0 40 BEAB N[C@@H]1CCN(CCCC2CCCCC2)C1 96523514 KDDMXPVXTDQVRK-CYBMUJFWSA-N 210.365 2.380 0 40 BEAB Cc1cccc(NC[C@@H](O)C(C)(C)C)n1 97096689 QEMIHYCQTMSICH-SNVBAGLBSA-N 208.305 2.209 0 40 BEAB c1ccc(Cn2nccc2-c2cccnc2)nc1 97148427 HXHCXAACTGHBRG-UHFFFAOYSA-N 236.278 2.388 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)/C2=C\CC(=O)O 100367046 RGKKHMAZNHLDGM-LTUKUPRSSA-N 224.300 2.205 0 40 BEAB C[C@H]1[C@@H](C)[C@]2(C)NC(=O)[C@@]3(C)[C@@]1(C)[C@@]23C 101137530 VLAQZFRGUKAXMA-SOVHRMDPSA-N 207.317 2.193 0 40 BEAB CCCCn1c(=S)[nH]c2cc(C)[nH]c2c1=O 101333024 VRDKXWYTUVTTGD-UHFFFAOYSA-N 237.328 2.496 0 40 BEAB CCN(Cc1ncnn1C)[C@H]1CCCC[C@@H]1C 120070686 QNBPOLPSAUQBNX-RYUDHWBXSA-N 236.363 2.216 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1ccccc1F 126630089 KVUOSEPUSAHMKX-ZJUUUORDSA-N 208.232 2.492 0 40 BEAB CC[C@@H](COC)Nc1ccc(-n2ccnn2)cc1 129227640 AYJNTURPTSJHBJ-NSHDSACASA-N 246.314 2.104 0 40 BEAB O=C(CO)c1cc(F)c(Cl)cc1Cl 168173435 UHFGTJUFWRKTJU-UHFFFAOYSA-N 223.030 2.308 0 40 BEAB COCCCSCC(=O)N1CCCC[C@H]1C 187929103 ROVDPODVKKKGAM-LLVKDONJSA-N 245.388 2.157 0 40 BEAB COc1ccc(-c2nnc(-c3cnco3)o2)cc1 216612454 PEKCJVJZPDQSMD-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB C[C@@H](N[C@@H]1CCC[C@@H]1N)c1ccccc1 218886447 VJNYIIHZUKMQSU-KGYLQXTDSA-N 204.317 2.217 0 40 BEAB CN[C@H]1CC[C@H](Cc2ccc(C(=O)O)cn2)CC1 257310990 UHLDDLOKJMWCLC-UMSPYCQHSA-N 248.326 2.101 0 40 BEAB O=C(c1ccoc1)N1CC(CC(F)F)C1 335486833 BJKCQHNJNSFYJG-UHFFFAOYSA-N 215.199 2.007 0 40 BEAB CCc1nsc(N2Cc3ccncc3C2)n1 521396793 YIMBUHUWSKEMGE-UHFFFAOYSA-N 232.312 2.016 0 40 BEAB CC(=O)CCCCC(=O)CCCCC(=O)O 3033127 OIAVTFGRDNUKCM-UHFFFAOYSA-N 228.288 2.350 0 40 BEAB biogenic,in-vitro Cc1ccc(N2C(=O)[C@@H](C(C)C)NC2=S)cc1 3261535 URLRESQYWGFJPO-LLVKDONJSA-N 248.351 2.241 0 40 BEAB in-vitro COc1ccccc1CNC(=O)NC(C)(C)C 3434422 FARTVBIJTUFQKM-UHFFFAOYSA-N 236.315 2.293 0 40 BEAB CCc1nnc(NC(=O)NC(C)(C)C)s1 3434424 ACFUSCXJAOUIHE-UHFFFAOYSA-N 228.321 2.021 0 40 BEAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1 3501359 LSZPRCKZTQAJIX-XPQLPGEHSA-N 245.278 2.301 0 40 BEAB O=C(O)/C=C/c1cnn(Cc2ccccc2)c1 4218373 NVXSZZZOLFQEKP-VOTSOKGWSA-N 228.251 2.029 0 40 BEAB COC(=O)c1c[nH]cc1-c1ccccc1 5355332 IQUXHEPTOZFPQJ-UHFFFAOYSA-N 201.225 2.468 0 40 BEAB in-vitro C(=C/c1nc2ncccn2n1)\c1ccccc1 6514339 JRGAGMBPEBIZGY-BQYQJAHWSA-N 222.251 2.295 0 40 BEAB CSCC(=O)Nc1ccc(N(C)C)cc1 6784543 ZXGOMOPAQHREBK-UHFFFAOYSA-N 224.329 2.054 0 40 BEAB O=C(NCCc1ccc(F)cc1)c1ccccn1 8264974 WNEPCDKZLBCJBF-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB CCOc1ccccc1N[C@@H](CC)C(=O)O 8702743 APNIEOLTQAZWAY-VIFPVBQESA-N 223.272 2.360 0 40 BEAB C[C@@H](CC(=O)NCc1ccccc1)n1ccnc1 12699451 GCOSGXJCJBOLMI-LBPRGKRZSA-N 243.310 2.151 0 40 BEAB C[C@@H](C(=O)NC1CCCC1)N1CCCCCC1 33040170 ZVISZHOJWFELKD-LBPRGKRZSA-N 238.375 2.310 0 40 BEAB O[C@H](CSc1ccccc1)Cn1ccnc1 34124202 PMRJXVVXMMMRSL-NSHDSACASA-N 234.324 2.036 0 40 BEAB COC(=O)[C@@H](CCCc1ccccc1)C(C)=O 34485455 QRCVGJJZFCVIEJ-ZDUSSCGKSA-N 234.295 2.388 0 40 BEAB O=C(O)c1cnc(-c2ccc3c(c2)OCO3)s1 36930138 KLDNNIFPEQVRRN-UHFFFAOYSA-N 249.247 2.237 0 40 BEAB COc1ccc(OC(F)F)c(C=O)c1 37022153 WBUIAXUBXNTOGR-UHFFFAOYSA-N 202.156 2.109 0 40 BEAB in-vitro CC[C@@H](C)Nc1ccc(N)cc1C(=O)O 37930156 PAUGENIOTBUSOT-SSDOTTSWSA-N 208.261 2.177 0 40 BEAB FC(F)(F)c1nc[nH]c1Br 39118848 BHAQQAXRVFYODC-UHFFFAOYSA-N 214.972 2.191 0 40 BEAB in-vitro CCc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 40489758 FHCRDRYCSHKKOK-AOOOYVTPSA-N 240.372 2.315 0 40 BEAB NCc1cn2c(n1)sc1ccccc12 41181199 SZEJBSSAWFXATD-UHFFFAOYSA-N 203.270 2.008 0 40 BEAB Cc1cccc(CN2CCOC[C@@H]2C)c1 46774702 LDGDQTHUPGAISC-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB Cc1cc(C)nc(SC[C@H]2CCCNC2)n1 51608128 OSZWGFGPMDRMPB-NSHDSACASA-N 237.372 2.185 0 40 BEAB C[C@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 53436407 GCMODWPJZRTJBD-LBPRGKRZSA-N 238.375 2.119 0 40 BEAB CSCCC(=O)N(C)Cc1ccsc1 69463359 DHDNQKPMOWWSBS-UHFFFAOYSA-N 229.370 2.460 0 40 BEAB Cc1cc(C)c(C(=O)NCCCN(C)C)cc1C 74951581 YNXGDSVEJDXSGU-UHFFFAOYSA-N 248.370 2.293 0 40 BEAB Cc1noc(-c2ccnc(N3CCCC3)c2)n1 77210271 SNHQZNFLVCUIGR-UHFFFAOYSA-N 230.271 2.040 0 40 BEAB CC(C)N(C(=O)CN)[C@@H](C)c1ccc(F)cc1 79421196 FDHNXNNCEKNWKS-JTQLQIEISA-N 238.306 2.082 0 40 BEAB CN(C(=O)CCCc1cccs1)c1cn[nH]c1 80842464 BVIVHFXRYFOPHK-UHFFFAOYSA-N 249.339 2.457 0 40 BEAB O=C(Nc1ccccc1)N1CC[C@@H]2OCC[C@H]2C1 96054949 OCQGTLKSIFYWBR-AAEUAGOBSA-N 246.310 2.329 0 40 BEAB Cc1noc(C)c1N(C)C(=O)Nc1cccnc1 96454126 NBAZSEUZWRCUOW-UHFFFAOYSA-N 246.270 2.355 0 40 BEAB COCCN[C@H](C)c1cccc(F)c1F 96492434 SORJUCVOYIIJBF-MRVPVSSYSA-N 215.243 2.262 0 40 BEAB COc1ccc([C@@]2(O)CCC[C@@](C)(O)C2)cc1 96509979 SOFKAVUNAOIBFY-ZIAGYGMSSA-N 236.311 2.208 0 40 BEAB C1=CC[C@@H](c2nc([C@@H]3CCOC3)no2)CC1 98019210 MZFGEGLAEUDSDJ-NXEZZACHSA-N 220.272 2.397 0 40 BEAB O=C1CCN1c1ccc(Br)cc1 104839547 OWNBBRYHFWKSFA-UHFFFAOYSA-N 226.073 2.186 0 40 BEAB in-vitro CCCN1C(=O)C(F)(F)c2cc(N)ccc21 225809164 PLLRKEQKJYURCA-UHFFFAOYSA-N 226.226 2.117 0 40 BEAB COC(=O)c1sc2c(c1F)CSC2 514287076 AXNDIFNUJBHZCZ-UHFFFAOYSA-N 218.274 2.421 0 40 BEAB Cc1cccc(OC[C@@H]2CCCN(C)C2)n1 585654949 OITCZKZYCUDDSY-GFCCVEGCSA-N 220.316 2.111 0 40 BEAB Nc1c(C2CC2)cnn1-c1ccccc1F 642882887 KLKXIODTCLSIPU-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB CC(C)OC(=O)Oc1ccc(CO)cc1 1570003503 XOGQFUHRPBGJCH-UHFFFAOYSA-N 210.229 2.103 0 40 BEAB CC1=C(NNc2ccc(F)c(F)c2)C(=O)N=N1 2049251893 FRIIATLWAMFVJA-UHFFFAOYSA-N 238.197 2.105 0 40 BEAB CC(=O)O[C@H]1CC[C@H]2C[C@@H]1CC[C@@H]2OC(C)=O 124637 KTYSVMZPWITXDP-CYDGBPFRSA-N 240.299 2.060 0 40 BEAB CN1CC[C@]2(C)C[C@H]1Cc1ccc(O)cc12 1687740 SGPDQCOZBVOUMT-BXUZGUMPSA-N 217.312 2.300 0 40 BEAB Cc1cc(C)cc(NC(=O)COC(=O)C(C)C)c1 3363076 JWTFBLJAKLWYSJ-UHFFFAOYSA-N 249.310 2.441 0 40 BEAB CC1CCN(c2ncccc2C(=O)O)CC1 4217696 JCXHFIVPZXGKPF-UHFFFAOYSA-N 220.272 2.016 0 40 BEAB Cc1cc(Nc2ccccc2F)n2ncnc2n1 4922895 OQEKLEKKUBIMTA-UHFFFAOYSA-N 243.245 2.315 0 40 BEAB CCOc1ncccc1C(=O)Nc1ccccn1 9322498 AYUBJCAFWMBNGX-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB Cc1cc(CSC2=NCC(C)(C)CN2)no1 9385111 PDWMUOBDJHHMOG-UHFFFAOYSA-N 239.344 2.202 0 40 BEAB CSc1nc2ccccc2c2nc(C)nn12 9937921 OVFACMHMRBUIMH-UHFFFAOYSA-N 230.296 2.308 0 40 BEAB CC[C@H](c1ccccc1)n1nccc1N 11920598 MZZBOZLLCJTFGM-LLVKDONJSA-N 201.273 2.465 0 40 BEAB CC(C)C[C@H](N)C(=O)N(C)c1ccccc1 11961099 JBSVUHIVWWTHAN-LBPRGKRZSA-N 220.316 2.023 0 40 BEAB Cc1ccc(C(=O)NCc2cccs2)cn1 12989359 ADRPTIYOKXUGTD-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CCCCS(=O)(=O)N[C@@H](C)c1ccccc1 13938118 AWQHLHWGFPWMMM-NSHDSACASA-N 241.356 2.467 0 40 BEAB CCOC(=O)c1nc2ccccn2c1Cl 15020352 ORQQVELGTHMBNA-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB COC[C@H](C)N[C@H]1CCc2ccccc21 19904700 KSJZQTRNAXEHLG-GWCFXTLKSA-N 205.301 2.298 0 40 BEAB CCOC(=O)CN(CC)c1ccccc1 20303919 UAUMAWKVDBQGJP-UHFFFAOYSA-N 207.273 2.076 0 40 BEAB C1CC[C@@H](CCC[C@@H]2CCCCN2)NC1 21301318 PBAFFSHKOMYWPA-STQMWFEESA-N 210.365 2.441 0 40 BEAB CN(C(=O)[C@H]1CCCO1)[C@H]1CCc2ccccc21 32905637 VGTZOVPZYUVKOL-UONOGXRCSA-N 245.322 2.311 0 40 BEAB COc1cc(N)cc(OC)c1Br 40449716 MJINXEUETHLORE-UHFFFAOYSA-N 232.077 2.049 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)C1CCNCC1 41261000 WFHMTBADZMIELZ-ZDUSSCGKSA-N 233.311 2.245 0 40 BEAB c1ccc2c(c1)CCN(CC[C@@H]1CCCNC1)C2 42783379 ZWSWMTUJAXTPMR-AWEZNQCLSA-N 244.382 2.434 0 40 BEAB CC(C)(N)CCC(=O)OC1CCCCC1 50197404 ZYIWHKPSEHTIGQ-UHFFFAOYSA-N 213.321 2.380 0 40 BEAB in-vitro c1ccc2sc(SC3CNC3)nc2c1 54931768 PLHUCXIUSSCNBB-UHFFFAOYSA-N 222.338 2.360 0 40 BEAB Cc1nccc(NCc2cccc(C(=O)O)c2)n1 54935236 NYAQFIGQNILXKP-UHFFFAOYSA-N 243.266 2.095 0 40 BEAB CC(C)(C)c1ccc2c(c1)C(=O)[C@@H](N)CCO2 62665234 NJZFHAXOYVNWQJ-NSHDSACASA-N 233.311 2.277 0 40 BEAB CCCN(C)[C@@H](C)C(=O)NCc1ccccc1 69092916 CGMDTXAXCMNVNI-LBPRGKRZSA-N 234.343 2.033 0 40 BEAB OCC12CC3C[C@@H](C1)C(F)(F)[C@H](C3)C2 72194352 FUGCZPLJOOCMNN-XWJSGITJSA-N 202.244 2.440 0 40 BEAB Cc1ccc(C)c(C(=O)NCC[C@@H](O)C2CC2)c1 77107519 GABPNUXYEJYEDR-CQSZACIVSA-N 247.338 2.194 0 40 BEAB CCc1nsc(NCCc2ccc(C)nc2)n1 80981872 IYLRZYOJFAJQGF-UHFFFAOYSA-N 248.355 2.459 0 40 BEAB N[C@H]1CCC(=O)c2cc(OC(F)F)ccc21 82164018 VEPBBSLKWKIBHV-VIFPVBQESA-N 227.210 2.264 0 40 BEAB in-vitro Cc1[nH]ncc1C(=O)NCC1(CC(C)C)CC1 89544439 LUTIAWBQYYMDPO-UHFFFAOYSA-N 235.331 2.274 0 40 BEAB CC(C)Cn1cc(NC(=O)N2CCCC2)cn1 89856716 PGFKXBRNUCYZBE-UHFFFAOYSA-N 236.319 2.167 0 40 BEAB CNC(=O)C(C)(C)CNC[C@@H]1CCC[C@H](C)C1 92567677 HEMOVWJQYKYWPX-NWDGAFQWSA-N 240.391 2.175 0 40 BEAB CCN(Cc1cnc[nH]1)c1ccccc1 95562706 ZAOIDGNRHJWXTG-UHFFFAOYSA-N 201.273 2.436 0 40 BEAB CCC(C)(C)NC(=O)NCCCOC(C)C 95965038 NPFABDMICOIPSA-UHFFFAOYSA-N 230.352 2.289 0 40 BEAB C[C@@H](C(=O)Nc1cnccn1)c1ccccc1F 97146423 OSZNASUREKGHCM-SECBINFHSA-N 245.257 2.358 0 40 BEAB Nc1ccnc(Cl)c1OC(F)(F)F 118595610 KEEKHPXFDBFESD-UHFFFAOYSA-N 212.558 2.216 0 40 BEAB Cc1cc(-c2nccs2)nc([C@H]2CCCN2)n1 205690555 MNSUSNPNOSUAMQ-SECBINFHSA-N 246.339 2.333 0 40 BEAB CC(C)Cn1ncc(Br)c1C=O 216550870 RUERVKVHKNLVBL-UHFFFAOYSA-N 231.093 2.114 0 40 BEAB COc1ccc2cc(Br)cnc2n1 238372842 SDENQYQTQQVHFM-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB COCCNCc1cc(C2CC2)nn1C(C)C 256050197 DCYZHOSIKPKOOJ-UHFFFAOYSA-N 237.347 2.077 0 40 BEAB CCCCNCc1ccn(CC(F)(F)F)n1 256051626 JXZATFJHUTZWEF-UHFFFAOYSA-N 235.253 2.335 0 40 BEAB Cc1ccnc(C)c1NC(=O)C[C@H]1CCOC1 333401634 NZBJKOFTQQUXCK-LLVKDONJSA-N 234.299 2.064 0 40 BEAB COCOc1ccc(Cl)c(C(=O)O)c1F 1083800052 XEKOJOBAVYFZRG-UHFFFAOYSA-N 234.610 2.160 0 40 BEAB O=C(O)[C@H]1CCCN(c2nc3ccccc3o2)C1 259651 MYGBXELIXXVZAA-VIFPVBQESA-N 246.266 2.129 0 40 BEAB Cc1ccc([C@@](N)(C(=O)O)c2ccccc2)cc1 1674863 XBGFDGWLOAEVHN-OAHLLOKOSA-N 241.290 2.282 0 40 BEAB CCC(=O)[C@H](C)C(=O)Nc1ccccc1 1700584 CNOVGQUKNBMXKK-VIFPVBQESA-N 205.257 2.240 0 40 BEAB CC(C)(C)C(=O)CSc1ncccn1 3243519 OPLMNTWYBOOCOW-UHFFFAOYSA-N 210.302 2.184 0 40 BEAB O=C(O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 3749331 VWUDHUJSDJLKJL-LLVKDONJSA-N 237.274 2.122 0 40 BEAB in-vitro CCCOc1ccc(-c2cnc(N)nc2N)cc1 4993214 MNFDWCIHNNIAOH-UHFFFAOYSA-N 244.298 2.097 0 40 BEAB CC(C)(C)OC(=O)CCNC1CCCC1 5066425 FBUMKBOYVOHBEQ-UHFFFAOYSA-N 213.321 2.250 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@](C)(O)[C@@H]1C 5515717 JLIHNYSKRZSBJF-NOZJJQNGSA-N 231.299 2.048 0 40 BEAB CC(C)CNC(=O)CN1c2ccccc2C[C@H]1C 7587782 FWMIGLHZWPEGOB-GFCCVEGCSA-N 246.354 2.210 0 40 BEAB CCc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1 8083372 DXOJDNBYWXUHEE-FMIVXFBMSA-N 244.294 2.162 0 40 BEAB COc1cc(CNCc2ccco2)ccc1O 8207040 VDMTWLTZTDTBFF-UHFFFAOYSA-N 233.267 2.284 0 40 BEAB CC(=O)c1c(C)[nH]c(C(=O)NCC(C)C)c1C 9364246 RNDYMAICBPKZTA-UHFFFAOYSA-N 236.315 2.220 0 40 BEAB CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 9745705 KXTPCHKUMDQTER-UHFFFAOYSA-N 243.310 2.435 0 40 BEAB Cc1nc(-n2cccc2)sc1C(=O)NC(C)C 12409459 XLGDZFREYOQWRQ-UHFFFAOYSA-N 249.339 2.380 0 40 BEAB NCc1ccc(OCc2cccnc2)cc1 17169572 BMCSSIZCHMUGRR-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB CCCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 19773019 DIDAPUTUUYJADA-MRVPVSSYSA-N 233.267 2.389 0 40 BEAB COCCN[C@@H](C)c1ccc(OC)c(F)c1 19881779 SHRADZNVKZJLIB-VIFPVBQESA-N 227.279 2.131 0 40 BEAB c1coc(CNCCCN2CCCCC2)c1 20128730 KHZUXLWLVRLXSX-UHFFFAOYSA-N 222.332 2.245 0 40 BEAB FC(F)(F)c1ccc(-c2ccn[nH]2)cn1 25336469 KJRKHVPNKQRJPQ-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB C=CC(=O)N(C)[C@@H]1CCc2ccccc21 36335057 KROJMAHHTQCTPU-GFCCVEGCSA-N 201.269 2.318 0 40 BEAB CCOC(=O)CCN[C@@H]1CCCC[C@H]1C 36667563 XKHGOPJHZZPKGU-GHMZBOCLSA-N 213.321 2.108 0 40 BEAB CNC1CCN(Cc2ccc(C)cc2)CC1 37241589 PMXHQLAASOMLDU-UHFFFAOYSA-N 218.344 2.179 0 40 BEAB CCOC(=O)c1ccc(CN(CC)CC)o1 37625070 CURSTNCORLJENK-UHFFFAOYSA-N 225.288 2.298 0 40 BEAB CCOC(=O)c1nc(-c2ccccc2N)[nH]c1C 39320316 YATRBWDATBWRIO-UHFFFAOYSA-N 245.282 2.144 0 40 BEAB OC[C@@H](c1cccc(Cl)c1)N1CCCC1 41246409 RHMXXHRADUWXPG-LBPRGKRZSA-N 225.719 2.469 0 40 BEAB CC[C@@H](C)NC(=O)Nc1ccc(OC)nc1 48019290 ZSEVGHZUQFXQSF-MRVPVSSYSA-N 223.276 2.010 0 40 BEAB C[C@@]1(c2cc(F)ccc2F)C[C@H]1C(=O)O 49815101 HVVFKZKWIQXEFG-KWQFWETISA-N 212.195 2.327 0 40 BEAB CONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 53720884 UXQZWUSTBKOIGL-SCZZXKLOSA-N 223.272 2.013 0 40 BEAB C[C@@H](Nc1ccccc1)C(=O)N1CCCCC1 55420907 RHOCBAMVOIYEOD-GFCCVEGCSA-N 232.327 2.500 0 40 BEAB CC(C)N(C)CCNC(=O)Nc1ccccc1 58265084 GQZRVBBWQPOXIP-UHFFFAOYSA-N 235.331 2.148 0 40 BEAB OC[C@H]1CCc2cc(Br)ccc2O1 59388419 GSVBRKJDXWPIFW-SECBINFHSA-N 243.100 2.135 0 40 BEAB O=C(O)c1cc(F)c2ccccc2c1O 59687703 APHBHEVOAHTHFU-UHFFFAOYSA-N 206.172 2.383 0 40 BEAB NCc1cc(F)ccc1OC(F)(F)F 71867293 FPZXDOJFLLZXCM-UHFFFAOYSA-N 209.142 2.183 0 40 BEAB CO[C@@H](c1ccccc1)c1nc(CN)cs1 72417716 UGCKBASAJDERSO-NSHDSACASA-N 234.324 2.338 0 40 BEAB Fc1cccc(-c2nnc(Cn3ccnc3)o2)c1 72558631 WPCQQJLFGYGWFO-UHFFFAOYSA-N 244.229 2.121 0 40 BEAB CONC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 75145513 JXGWIUBHSFLJMT-VHSXEESVSA-N 240.690 2.057 0 40 BEAB CC(C)c1n[nH]c([C@H](N)c2ccc(F)cc2)n1 95533244 TYFQJSGHGKKBAD-SNVBAGLBSA-N 234.278 2.115 0 40 BEAB O=Cc1ccc(COC[C@H]2CCCO2)c(F)c1 95738704 NNDHGECSMSBVOE-GFCCVEGCSA-N 238.258 2.334 0 40 BEAB CC(C)=CCC[C@@H](C)N[C@H](C)Cn1cncn1 95967510 JJUJHALAQQTGJS-CHWSQXEVSA-N 236.363 2.391 0 40 BEAB CCC1CCC(N[C@@H]2C=C[C@H](CO)C2)CC1 97016589 YSOWWPCHOFCOQS-GNRIBBGQSA-N 223.360 2.482 0 40 BEAB CC(C)(C)[C@@H](O)CNC[C@@H]1CC=CCC1 97020833 WQSFXPBWZZSUGD-NEPJUHHUSA-N 211.349 2.339 0 40 BEAB CCc1cnccc1C(=O)OC[C@@H]1CC[C@@H](C)O1 97113102 PKZUPZILJHEZQJ-PWSUYJOCSA-N 249.310 2.368 0 40 BEAB CSC1(C(=O)O)[C@H]2CC[C@H]3[C@H]2CC[C@H]31 102958247 LUUFFDIGOVAXOK-GSYHAUMWSA-N 212.314 2.239 0 40 BEAB COc1cc([C@H]2CCNC(=O)C2)ccc1Cl 199779487 JIOAMSIUWWAQND-VIFPVBQESA-N 239.702 2.342 0 40 BEAB CC[C@@H](C)NC(=S)Nc1cccc(C)n1 225274247 TZINOFCWGAJYRA-MRVPVSSYSA-N 223.345 2.475 0 40 BEAB CCn1nc(C)c(CNCc2ccco2)c1F 256053611 SCGNRIVAFMUBAA-UHFFFAOYSA-N 237.278 2.233 0 40 BEAB COc1c(C(F)(F)F)ccnc1[N+](=O)[O-] 396106737 QZIMFXJYOOYDTG-UHFFFAOYSA-N 222.122 2.017 0 40 BEAB CN(C)[C@H]1CCC[C@@H]1Oc1ccc(F)cn1 585653504 HGPBLCRABDHTFZ-QWRGUYRKSA-N 224.279 2.082 0 40 BEAB CCCn1c(S)nc2ccc(F)cc2c1=O 952989852 OOCMVZGHDMPHEO-UHFFFAOYSA-N 238.287 2.234 0 40 BEAB COc1ccc2cc([C@H](O)[C@H](C)O)ccc2c1 3844038 CWZNIRHUMZESFD-LKFCYVNXSA-N 232.279 2.263 0 40 BEAB biogenic,in-vitro Nc1ncnc2[nH]c(/C=C/c3ccccc3)nc12 4054010 CGPWHCJQHWCRNO-VOTSOKGWSA-N 237.266 2.106 0 40 BEAB CN(C)CCCNc1cc(=O)oc2ccccc12 9530409 FDBWQZOSZUETHP-UHFFFAOYSA-N 246.310 2.157 0 40 BEAB Nc1cc(F)ccc1OC[C@H]1CCCCO1 14629862 ZOAQUIWZZYQJRO-SNVBAGLBSA-N 225.263 2.356 0 40 BEAB CC(=O)c1c(O)cc(C)n(-c2ccccc2)c1=O 16769261 OMXKDDUKADMJBN-UHFFFAOYSA-N 243.262 2.054 0 40 BEAB CC(=O)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19016583 TXLSBSINTPDWGT-LLVKDONJSA-N 249.314 2.063 0 40 BEAB Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1Cl 20157158 JQKCJILTKBDZSH-JTQLQIEISA-N 240.690 2.040 0 40 BEAB COc1ccc(-c2cc(C(=O)O)no2)c(OC)c1 22222880 GOSONXHPINOGHN-UHFFFAOYSA-N 249.222 2.057 0 40 BEAB CCn1cc(CN(C)C(=O)C2CCCC2)cn1 28222086 MFJOTTRRSHVFRU-UHFFFAOYSA-N 235.331 2.052 0 40 BEAB O=C(O)C(F)(F)c1ccc(F)c(F)c1 31829518 YRUJIZVSJXMXLU-UHFFFAOYSA-N 208.110 2.141 0 40 BEAB COc1cc(OC)c2ncnc(Cl)c2c1 34062418 YLNXMRGXLHLQNM-UHFFFAOYSA-N 224.647 2.300 0 40 BEAB in-vitro c1ccc(CCCNC2CCOCC2)cc1 36304202 RHNSPIXLBXRUQN-UHFFFAOYSA-N 219.328 2.388 0 40 BEAB Cc1nn(Cc2ccccc2)c2ncc(N)cc12 38342289 FTWIGHVVRPSPRQ-UHFFFAOYSA-N 238.294 2.370 0 40 BEAB in-vitro O=C(Nc1nccs1)NC1CCCC1 42652165 KXKOQGHLNLXYPY-UHFFFAOYSA-N 211.290 2.207 0 40 BEAB Cc1cccc(COC[C@H]2CCNC2)c1 42771939 YCENSGNZUZPDBE-ZDUSSCGKSA-N 205.301 2.121 0 40 BEAB C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 46125180 LSPJAKHEBSBMQL-RYUDHWBXSA-N 225.332 2.347 0 40 BEAB COCc1ccccc1C(=O)Nc1cccnc1 46189867 VRTGVKJXQFIAJM-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CC(C)NC(=O)Cc1ccccc1Cl 46346505 LLLMGZOJOASAAK-UHFFFAOYSA-N 211.692 2.407 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@@H](C(=O)O)[C@H](C)CC 49601605 ZMDCPOPRSSKMMN-WPBOKWDCSA-N 239.315 2.124 0 40 BEAB biogenic,in-vitro COCCC(=O)Nc1cc(Cl)ccc1F 58377924 LBFJQWXHSQDCDU-UHFFFAOYSA-N 231.654 2.454 0 40 BEAB FC(F)Oc1ccc(Br)cn1 66327914 TUKUVGKMNSUOJF-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB in-vitro C[C@@H]1CN(Cc2ccccc2Cl)CCN1 71531941 VWPNHKQITQZVIG-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB O=C(NC1CC1)N1CC[C@@H](c2cccc(F)c2)C1 71856579 CUVOERRRCCLLFP-LLVKDONJSA-N 248.301 2.487 0 40 BEAB O=C(O)c1cc2nc(C(F)(F)F)ccc2[nH]1 71864144 IOLZZXXQIDHNFB-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB Cc1cccc(Nc2nnc(CC(=O)O)s2)c1 72221337 ARPYRIAUTCSKKY-UHFFFAOYSA-N 249.295 2.217 0 40 BEAB OCCC1(NCc2ccccc2)CCC1 72266362 JTPDTLHGEXRINY-UHFFFAOYSA-N 205.301 2.081 0 40 BEAB Cc1nccc([C@@H]2CCCN(C(C)C)C2)n1 72348352 DUAHZOXHCXGCGS-GFCCVEGCSA-N 219.332 2.373 0 40 BEAB O=C(NCCCN1CCCCC1)C1CCCC1 72781854 GYEIEJSXXHLRPB-UHFFFAOYSA-N 238.375 2.169 0 40 BEAB CCN(CC(=O)O)c1ccccc1Cl 76608207 YDPNWDFEKDHTBV-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB Cc1cccc(NC(=O)c2ccncc2F)n1 78072899 XBWISZSMGKURNI-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB c1ccc(CN2CCC[C@@]3(CCCN3)C2)cc1 82346507 OOKMXRYWLZPJSM-HNNXBMFYSA-N 230.355 2.405 0 40 BEAB in-vitro Fc1cccc(CN[C@H]2CCCOCC2)c1 83424806 BGNSMXJZUDYHKU-ZDUSSCGKSA-N 223.291 2.484 0 40 BEAB CCNC(=O)CCCc1ccc(OC)c(F)c1 84523319 XAGQZFBDEFLPTJ-UHFFFAOYSA-N 239.290 2.293 0 40 BEAB Cc1nsc(N[C@@H]2CCC[C@H]3OCC[C@H]23)n1 89721427 SXVLHPQRXWXODY-OPRDCNLKSA-N 239.344 2.216 0 40 BEAB CNC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 89791405 KBPQTUULSOLHLR-GFCCVEGCSA-N 238.306 2.322 0 40 BEAB COCc1nc(C)cc(N2C[C@H]3CCC[C@H]3C2)n1 95410694 DEHDEWPPFROMEB-TXEJJXNPSA-N 247.342 2.168 0 40 BEAB CCCC(=O)O[C@@H](C)c1nc(C2CC2)no1 95954535 PNSABJZZLHSABJ-ZETCQYMHSA-N 224.260 2.351 0 40 BEAB CCn1cc(C(=O)Nc2c(O)cccc2F)cn1 96436582 BFOWEIWXBGMJTM-UHFFFAOYSA-N 249.245 2.000 0 40 BEAB CC(C)Cn1c2c(ccc1=O)[C@H](N)CC(C)(C)C2 96510623 PHCBOESJPASADC-GFCCVEGCSA-N 248.370 2.477 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@@H](C)CCC(=O)O 97039201 CUKCVAPYMZPPBK-NSHDSACASA-N 249.310 2.287 0 40 BEAB CN(Cc1cccnc1)C[C@@H]1CCC=CO1 97105556 GCWAFGOKSWDAJA-ZDUSSCGKSA-N 218.300 2.206 0 40 BEAB Cc1cccc(N2CCC[C@H](n3cccn3)C2)n1 97163283 QYZIGWACRQDPPW-ZDUSSCGKSA-N 242.326 2.428 0 40 BEAB CN[C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100262211 STEFEEAVJHCPMZ-RKQHYHRCSA-N 223.360 2.316 0 40 BEAB NNc1nccc2ccc(Br)cc12 116940174 RZILMDNYAKGLIC-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB COC(=O)c1cc2cc(Cl)ncc2[nH]1 215084881 WNKGCGSPLKWAHD-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB CCCO[C@@H](Cc1ccc(C)cc1)C(=O)O 225021549 FHNGGJVWNODYTK-LBPRGKRZSA-N 222.284 2.417 0 40 BEAB O=C(O)c1cc(Br)nc2[nH]ccc12 238627859 NVDVDKLBBLHDER-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB N[C@@H]1C(=O)N(c2ccccc2)C12CCCCC2 256055058 YYNSQSDLHOMIHV-GFCCVEGCSA-N 230.311 2.063 0 40 BEAB c1ccc(-c2cn(CC3CCOCC3)nn2)cc1 585362089 HESVZHSLYZNMOY-UHFFFAOYSA-N 243.310 2.372 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)C2 710673385 GYXDDUOYKWYEST-CIUDSAMLSA-N 215.268 2.496 0 40 BEAB CC(C)(C)NC(=O)n1ccc(C(F)(F)F)n1 160135 BWLHZWJXKZRBEH-UHFFFAOYSA-N 235.209 2.258 0 40 BEAB CCc1cc2c(NC[C@@H](C)O)ncnc2s1 549516 JSAXMECIDORRLJ-SSDOTTSWSA-N 237.328 2.046 0 40 BEAB c1ccc(-c2nc3sccn3n2)cc1 1617780 XLZGHZABCSQUCD-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB C[C@H](NCCO)c1ccc2ccccc2c1 2048271 NOQIKKRTEGNJJH-NSHDSACASA-N 215.296 2.483 0 40 BEAB Cc1cc(Cl)c(CC(=O)O)c(Cl)n1 4218844 DXSQLOPCMLRUEC-UHFFFAOYSA-N 220.055 2.324 0 40 BEAB CCc1ccc(/C=C2\SC(=N)NC2=O)cc1 4302404 SBJXYXZYEIYNPM-YFHOEESVSA-N 232.308 2.388 0 40 BEAB CCCNCc1ccc(OC)cc1OC 7262382 WCAFTJFCXFKFGB-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB C/C=C/CSc1ncnc2[nH]cnc12 8616121 ZQOKFVHJLMNORK-NSCUHMNNSA-N 206.274 2.021 0 40 BEAB O=C(O)[C@@H]1CCCC[C@H]1NCc1ccccc1 8698815 JJPUFVPBTBJPNO-CHWSQXEVSA-N 233.311 2.420 0 40 BEAB CC[C@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 9959523 VPMWZLUFDOHJFC-UWVGGRQHSA-N 221.300 2.453 0 40 BEAB Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1 12409087 CNIPEVQUYISKFW-UHFFFAOYSA-N 238.294 2.439 0 40 BEAB Cc1cc(COc2ccc(C(=O)O)cc2)no1 13035667 YBCVGHKCKKLVGT-UHFFFAOYSA-N 233.223 2.260 0 40 BEAB Cc1ccc(C)n1NC(=O)Cc1ccccc1 14291772 OQSDXVHDMOIHIF-UHFFFAOYSA-N 228.295 2.418 0 40 BEAB Nc1nsc2nc3ccccc3cc12 17126335 JEKVARRIYKFDHJ-UHFFFAOYSA-N 201.254 2.427 0 40 BEAB Cc1ccc(N(C)CCC(=O)O)cc1C 20133773 MWUOEOKLWNLKEC-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB O=C(Nc1ccc(Cl)cc1)c1c[nH]ccc1=O 22073325 DTCWYNKUUMAZMF-UHFFFAOYSA-N 248.669 2.281 0 40 BEAB CC[C@@](C)(C(=O)O)N1C[C@H](C)C[C@@H](C)C1 22122827 VFSIRZHPFARYNZ-FOGDFJRCSA-N 213.321 2.218 0 40 BEAB CC(=O)c1csc(NC(=O)c2ccco2)n1 22614155 WIXLPFZXIMCLLY-UHFFFAOYSA-N 236.252 2.191 0 40 BEAB Nc1cc(Oc2ccc(N)c(F)c2)ccn1 23587095 HMADOSJIROHTPS-UHFFFAOYSA-N 219.219 2.177 0 40 BEAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)n1cccn1 32765519 HCKLXEZRWMDWCU-VXGBXAGGSA-N 235.331 2.235 0 40 BEAB C=CC(=O)NCCc1cccc(Cl)c1 36334713 OISYAVUDLNOMOW-UHFFFAOYSA-N 209.676 2.185 0 40 BEAB Clc1cn2ccnc2c(Br)n1 39310806 LIGLKKDCZGHGDL-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB Cc1cc(NC(C2CC2)C2CC2)n2ncnc2n1 42237821 YSAAAJDGGKGOCY-UHFFFAOYSA-N 243.314 2.033 0 40 BEAB CCC(=O)Nc1ccc(OCC(F)(F)F)nc1 46678918 IXMDHNAWNACIAN-UHFFFAOYSA-N 248.204 2.371 0 40 BEAB Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1C 49669046 WSYFGJAWQDWPAP-CYBMUJFWSA-N 233.311 2.352 0 40 BEAB C=COCCSc1nc2ncccc2[nH]1 59596635 NKWDSQPXXAFXBP-UHFFFAOYSA-N 221.285 2.210 0 40 BEAB c1csc(CCN2CC(n3cccn3)C2)c1 71879008 SQJICNOKAWLBRU-UHFFFAOYSA-N 233.340 2.044 0 40 BEAB CC(C)(C)OC(=O)n1c(CO)cc2cnccc21 72206958 MKXYSGXEAKPBDS-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB CCC(=O)c1cnc(N(C)CC)c(C)c1 72222196 XTOIXLSOAYOMSB-UHFFFAOYSA-N 206.289 2.439 0 40 BEAB CN1CCC[C@@H](c2ccccc2C(=O)O)C1 75906315 SWOHKJZHILEBHO-SNVBAGLBSA-N 219.284 2.194 0 40 BEAB CNCc1cccn1Cc1ccccc1 82784119 WANKPQABGQHPAU-UHFFFAOYSA-N 200.285 2.256 0 40 BEAB Fc1cc(Br)cc2c1OCO2 85367384 JSFYSJIUIPMTEH-UHFFFAOYSA-N 219.009 2.317 0 40 BEAB O=C(Nc1ccccc1)c1cnc2n1CCCC2 89845677 OPDGOSBTVIDCOC-UHFFFAOYSA-N 241.294 2.472 0 40 BEAB Nc1ccc2c(c1)[C@@](O)(C(F)(F)F)CCC2 90600061 JJGHBWQDVNLVHK-SNVBAGLBSA-N 231.217 2.355 0 40 BEAB O=C(NC1CCCCC1)OC[C@H]1CCCCN1 92742903 ANDKHQYUVAIIOA-GFCCVEGCSA-N 240.347 2.187 0 40 BEAB CC(C)C[C@H](C)S(=O)(=O)N1CCCCC1 95397128 AXDFCNNPCMQDND-NSHDSACASA-N 233.377 2.237 0 40 BEAB CC(C)(C)c1n[nH]c([C@@H](N)c2ccc(F)cc2)n1 95533327 XTQBKMFOKBQBDT-JTQLQIEISA-N 248.305 2.289 0 40 BEAB C[C@@H](C[C@H](O)c1cccs1)Nc1ncccn1 95973066 BOMTZTYGZXMGKJ-UWVGGRQHSA-N 249.339 2.462 0 40 BEAB COc1ccc(NC(=O)[C@H]2CC2(C)C)cc1CO 95977754 UUICWSBKXZDJGO-LLVKDONJSA-N 249.310 2.172 0 40 BEAB Cc1ccccc1[C@@]1(C(=O)O)CC1(F)F 96515571 QVTBCRXPYSTGEY-SNVBAGLBSA-N 212.195 2.356 0 40 BEAB N[C@@H]1CCN([C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 97165790 STHREKKEZYPTTF-QLFBSQMISA-N 248.345 2.495 0 40 BEAB Cc1cnc(NC(=O)c2cscc2C)[nH]1 98020635 HMXZXBTWDKDYPD-UHFFFAOYSA-N 221.285 2.340 0 40 BEAB C[C@H]1C[C@@H](C)CN(c2nc(N)cs2)C1 103693818 ODHVKMGMWUBVOX-OCAPTIKFSA-N 211.334 2.208 0 40 BEAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3C)cc1 104227542 NJNIMTINFXBEKA-STQMWFEESA-N 247.338 2.139 0 40 BEAB OCCc1cc(Br)cnc1Cl 199554482 JLNSIKLXGVJLCK-UHFFFAOYSA-N 236.496 2.032 0 40 BEAB CCCNC(=O)c1ccc(NCC(C)C)c(N)c1 225407125 FCVHIFZSOIEBGG-UHFFFAOYSA-N 249.358 2.477 0 40 BEAB N=C(Cc1cccc(C(F)(F)F)c1F)NO 228915011 SGLAKLXJPNUTSY-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB CCCCOCc1ccnn1CCF 408716850 RUDPNARPABOKML-UHFFFAOYSA-N 200.257 2.169 0 40 BEAB CC(=O)OCC(=O)c1ccccc1OC(F)F 575361159 RYBMODSIQWFQLG-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB CC(C)(C)OC(=O)NC1CCC(CN)CC1 153953 NVQFOBONHIXDOC-UHFFFAOYSA-N 228.336 2.029 0 40 BEAB CCCCOC(=O)C1(C(=O)OCCCC)CC1 1600511 SVUZBUMRBIQZKD-UHFFFAOYSA-N 242.315 2.453 0 40 BEAB COC(=O)Cc1nc2ccccc2s1 1614026 AIOVHQHTHZJMPA-UHFFFAOYSA-N 207.254 2.012 0 40 BEAB CC(C)[C@@H](C(=O)NCCN(C)C)c1ccccc1 1900176 BVSYVNIQWHRVIB-CQSZACIVSA-N 248.370 2.104 0 40 BEAB O=C(Cc1ccncn1)c1ccc(F)cc1 2599186 PCWCSKPHAXGFSD-UHFFFAOYSA-N 216.215 2.041 0 40 BEAB in-vitro Cc1ccc(CNC(=O)c2ccccn2)cc1 3328582 IPQGJKYDPVNOEO-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB Cc1ccccc1NC1=CS(=O)(=O)CC1 3866507 DIVMGZPCQRGYFR-UHFFFAOYSA-N 223.297 2.067 0 40 BEAB CCn1c(-c2ccc(O)cc2)n[nH]c1=S 5686873 NQQIDSKODDRIGW-UHFFFAOYSA-N 221.285 2.333 0 40 BEAB C[C@H](NC(=O)c1cnc2ccccc2n1)C1CC1 8429781 UNQXBDVUVWZRPV-VIFPVBQESA-N 241.294 2.158 0 40 BEAB CC1=C(C(=O)Nc2cc(C)ccn2)CCO1 11535854 FMJWETACEDFAGU-UHFFFAOYSA-N 218.256 2.023 0 40 BEAB CCSc1ccc(NC(=O)c2ccco2)nn1 11739104 RDLFIFIZQIHFJZ-UHFFFAOYSA-N 249.295 2.434 0 40 BEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCCC1 12535158 WWWDXAUGABQKIY-UHFFFAOYSA-N 245.282 2.296 0 40 BEAB O=C(Nc1ccc(-n2cccn2)nc1)C1CCC1 12545735 PFBMPEQADNTHHT-UHFFFAOYSA-N 242.282 2.006 0 40 BEAB O=C1CCCc2c1cnc1nc3ccccc3n21 13566631 ORQUJCNSYILBFI-UHFFFAOYSA-N 237.262 2.402 0 40 BEAB Cn1ncc2c(Oc3ccccc3)ncnc21 14204331 AFTBJSMRLFRJHO-UHFFFAOYSA-N 226.239 2.156 0 40 BEAB Cc1cc(N)ccc1OC[C@@H]1CCCO1 14630476 NDKKLADFIPZRHF-NSHDSACASA-N 207.273 2.135 0 40 BEAB COc1ccc(OCc2ccncc2)c(C=O)c1 20284831 KNIZLIXYAFIKLJ-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB CC(=O)CCc1ccc(OCCC(=O)O)cc1 21954079 CEURSLCOGMORAR-UHFFFAOYSA-N 236.267 2.062 0 40 BEAB CC(=O)Nc1cccc(C(=O)N[C@H](C)C2CC2)c1 23990209 YPDHETAPNQPXMO-SECBINFHSA-N 246.310 2.173 0 40 BEAB CCCNC(=O)c1ccc2[nH]c(C)nc2c1 32198567 KROCVPBXSCZIOI-UHFFFAOYSA-N 217.272 2.011 0 40 BEAB CCOC(=O)c1nc2ccc(O)cc2s1 34572928 NKWMUUYSJMDDID-UHFFFAOYSA-N 223.253 2.179 0 40 BEAB in-vitro OCc1ccc(OC(F)(F)Cl)cc1 36533695 HFUMPXYULWQMCI-UHFFFAOYSA-N 208.591 2.347 0 40 BEAB in-vitro N[C@H](CCc1ccccc1)c1cnccn1 37467152 BLOQFLXXPMGPFN-GFCCVEGCSA-N 213.284 2.109 0 40 BEAB COC(=O)[C@](C)(N)c1ccccc1C(F)(F)F 37514699 KUPGWMNVPSHOKW-SNVBAGLBSA-N 247.216 2.052 0 40 BEAB biogenic CN(Cc1ccco1)C(=O)CC[C@H]1CCCO1 40510389 KIQDLSJUZPVWKF-LLVKDONJSA-N 237.299 2.197 0 40 BEAB CCc1nnc(CSc2ccccn2)o1 54148908 NIHABFKLXNVYEH-UHFFFAOYSA-N 221.285 2.319 0 40 BEAB COCCC(=O)Nc1ccc(F)cc1C 58368170 DNJDDCILVCAOMN-UHFFFAOYSA-N 211.236 2.109 0 40 BEAB CCCNCc1ccc2nccnc2c1 61415086 IXYCVCKOFHNHKY-UHFFFAOYSA-N 201.273 2.129 0 40 BEAB CC(C)CNCc1cnc(NC(C)C)nc1 62717618 KVVWNEDEAPPRRI-UHFFFAOYSA-N 222.336 2.043 0 40 BEAB CN(C(=O)c1ccc[nH]c1=O)C1CCCCCC1 69351279 NQHODFNIILXAMR-UHFFFAOYSA-N 248.326 2.170 0 40 BEAB CCCN1CCC[C@@H]1c1cccnc1N 72212419 IUUKMKSRWHYBGQ-LLVKDONJSA-N 205.305 2.211 0 40 BEAB Cc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1C 84177778 XDCYGIUKVHQCOM-CQSZACIVSA-N 246.354 2.001 0 40 BEAB CCC[C@H]1CCCC[C@H]1NC(=O)COCC 84740622 ISYWTVBTJQEQGZ-NWDGAFQWSA-N 227.348 2.498 0 40 BEAB O=C(c1cccnc1)N1CCC[C@H]2CCC[C@H]21 89793928 PEYXARVGHKTKPT-DGCLKSJQSA-N 230.311 2.486 0 40 BEAB c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1 89883884 WSGJFAJTPSMXBT-UTUOFQBUSA-N 218.300 2.451 0 40 BEAB Cn1cc([C@H]2CCCN2Cc2cscn2)cn1 95349684 BHMVRDZJBUXXHB-GFCCVEGCSA-N 248.355 2.214 0 40 BEAB CCc1cccc(N(C#N)Cc2cnn(C)c2)c1 95411494 UZEBFXWBVPRUQZ-UHFFFAOYSA-N 240.310 2.470 0 40 BEAB CCc1cccc(-c2nc(CO)co2)c1 95748776 DTPLNUJUGVKXNO-UHFFFAOYSA-N 203.241 2.396 0 40 BEAB NNc1ncc(Br)c2ccccc12 95935537 RGMWFZAPWLRRKC-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB CCSCCS[C@H](C)C(=O)OC 95963246 DGUNHOFENIGTSU-SSDOTTSWSA-N 208.348 2.034 0 40 BEAB Nc1cccc([C@H]2NC(=O)c3ccccc3O2)c1 96191920 UYZVGBJHJAVAJK-AWEZNQCLSA-N 240.262 2.090 0 40 BEAB C[C@H](NCCc1ccccc1O)c1nccn1C 97230752 MROLNDRGYCGKCD-NSHDSACASA-N 245.326 2.019 0 40 BEAB Cc1nc(-c2nc(C3CC3)no2)cs1 98009563 JOIJHHORBWMIQN-UHFFFAOYSA-N 207.258 2.379 0 40 BEAB CN[C@@H](C)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100386893 STEFEEAVJHCPMZ-KVDSNEOGSA-N 223.360 2.316 0 40 BEAB N[C@]1(C(=O)c2ccccc2)C[C@@H]2CC[C@@H]1C2 104137155 WXMKFJNHLNQUQQ-MPKXVKKWSA-N 215.296 2.387 0 40 BEAB C[C@H]1CCc2c(nn(-c3ccccc3)c2O)N1 110757620 LCEOFPHXCSPKER-VIFPVBQESA-N 229.283 2.325 0 40 BEAB Cc1cnc(NC(=O)[C@H]2CC2(C)C)s1 159263631 BAMJKPPLNPSWTE-SSDOTTSWSA-N 210.302 2.436 0 40 BEAB COP(=O)(Cc1ccc(O)cc1)OC 166728665 MKOOSVGHPFSCBI-UHFFFAOYSA-N 216.173 2.378 0 40 BEAB Cc1ccc2c(c1)CCN2C(=O)[C@@H](N)CC(C)C 195555055 RXGRBLKCLRFYOA-ZDUSSCGKSA-N 246.354 2.258 0 40 BEAB CCOC(=O)c1ncc(-c2ccccn2)s1 199567639 HGUBXHUWLNGMGT-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB Cc1ccc(C[C@H](OC(C)C)C(=O)O)cc1 220392268 XYLBHHJKBIEHQL-LBPRGKRZSA-N 222.284 2.416 0 40 BEAB CCN1CCN(c2cc(C)c(N)c(C)c2)CC1 223774477 NRQFUMRESPDOBP-UHFFFAOYSA-N 233.359 2.028 0 40 BEAB CCc1ccc(CNCCCOC)n1CC 226019684 KRNCJNYTRIDWDE-UHFFFAOYSA-N 224.348 2.197 0 40 BEAB CC(C)(CO)c1ccc(Br)nc1 238125518 MMWIAARTUFEAKE-UHFFFAOYSA-N 230.105 2.114 0 40 BEAB CC(C)(C)[C@@H]1CN2C[C@@H](C(C)(C)C)NC2=N1 248263395 NHPAGFYCHIPMCC-UWVGGRQHSA-N 223.364 2.091 0 40 BEAB O=C1OCOc2c(F)cc(Br)cc21 258830882 IQUXKDVUCWBBCB-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB C[C@H](CCCCO)N[C@H]1CSC1(C)C 379666361 XHJOABHGVMIMJG-ZJUUUORDSA-N 217.378 2.021 0 40 BEAB COC(=O)c1cnc2ccc(C)cc2c1 382699087 MVRQBEFLMKTMDE-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB CN(C)C1CCC(Oc2nccs2)CC1 585651991 UJCAOPRGYYTEEW-UHFFFAOYSA-N 226.345 2.395 0 40 BEAB O=C(O)c1cc(Cl)c2c(c1O)CCC2 1200 UIEGCHMMGBNMIL-UHFFFAOYSA-N 212.632 2.233 0 40 BEAB in-man CC[C@H](C)NC(=O)c1ccc(N(C)C)cc1 30042 NTRYENNTPSJJFH-JTQLQIEISA-N 220.316 2.281 0 40 BEAB CC(=O)OC(OC(C)=O)[C@H](C)c1ccccc1 1676863 ZBGDNICKLCRTBW-SECBINFHSA-N 236.267 2.242 0 40 BEAB biogenic COc1ccc2[nH]c(C)c(CC(=O)N(C)C)c2c1 1685321 PRVGPEKJEAVACS-UHFFFAOYSA-N 246.310 2.116 0 40 BEAB CCN(CC)C(=O)Nc1cccc(O)c1 1756355 IQKUKKGKWWETMB-UHFFFAOYSA-N 208.261 2.266 0 40 BEAB CC(C)C(=O)[C@H](CCN(C)C)c1ccncc1 2045655 BSSNGXCXABKDEC-CYBMUJFWSA-N 234.343 2.342 0 40 BEAB CCOc1ccc(CC2OCCO2)cc1 2529072 VZYXULLXFYSIJK-UHFFFAOYSA-N 208.257 2.001 0 40 BEAB Cn1c(Cl)c(C=O)c2cc(C=O)ccc21 3287169 DZHRMXYXRVSNFD-UHFFFAOYSA-N 221.643 2.457 0 40 BEAB in-vitro O=C1c2ccccc2N[C@@H]2CCCCCN12 3645791 KNPFCIQCLDTMEY-LBPRGKRZSA-N 216.284 2.454 0 40 BEAB CNCc1ccccc1N1CCCCC1 3888903 XESSPLRXNRUMOK-UHFFFAOYSA-N 204.317 2.396 0 40 BEAB in-vitro COC(=O)c1cccc(N2CCCCC2)c1 4245075 BOFFXEJPALDANU-UHFFFAOYSA-N 219.284 2.464 0 40 BEAB COc1cc(/C=C\c2ccccn2)oc(=O)c1 5389535 BVBKDHOAOSOEEZ-WAYWQWQTSA-N 229.235 2.214 0 40 BEAB C[C@@H]1CCCCc2nc3c(c(=O)n21)CCCC3 5807978 LSZGAZQPJMISMO-SNVBAGLBSA-N 232.327 2.410 0 40 BEAB CC(=O)Nc1nnc2c(c1C)C[C@H]1[C@@H]2C1(C)C 8782860 OWPMCMVAYWHZBG-UWVGGRQHSA-N 231.299 2.039 0 40 BEAB CCOC(=O)c1cnc(C)nc1C(C)C 15809842 FSNVLIRGOYBZLG-UHFFFAOYSA-N 208.261 2.085 0 40 BEAB Cc1noc2ncnc(NC3CCCC3)c12 20941900 NDSHDWKGCBRJQL-UHFFFAOYSA-N 218.260 2.281 0 40 BEAB CN(CC1CCCCC1)C(=O)c1cnn(C)c1 32753016 NHHXVKMLXFYFFH-UHFFFAOYSA-N 235.331 2.072 0 40 BEAB COc1cc(Br)c(OC)c(OC)c1 33823052 GMORDWZSIZHNNW-UHFFFAOYSA-N 247.088 2.475 0 40 BEAB Oc1ccc2c(c1)CCN(C1CCC1)CC2 34181446 KODOGLMDJREIOW-UHFFFAOYSA-N 217.312 2.345 0 40 BEAB in-vitro NC1CCN(c2ccc(Cl)cc2)CC1 35633161 DTMPIHBHYDNQTH-UHFFFAOYSA-N 210.708 2.268 0 40 BEAB in-vitro Nc1cc(Br)ccc1S 36378434 WKEYPPZTEITNHZ-UHFFFAOYSA-N 204.092 2.320 0 40 BEAB CCOC(=O)/C=C/c1ccc(OC)c(F)c1 39207970 BWWRXUXZXLJKRC-FNORWQNLSA-N 224.231 2.411 0 40 BEAB Cc1ccsc1C(=O)N1CCSCC1 40542010 RBWADKBBZXFKAY-UHFFFAOYSA-N 227.354 2.246 0 40 BEAB O=C(c1ccc(F)cc1F)N1CCSCC1 40542131 BIVIHTYMBBFNGH-UHFFFAOYSA-N 243.278 2.154 0 40 BEAB CCc1nc2cccc(C(=O)OC)c2o1 44676176 PIVKGYABLAWEKJ-UHFFFAOYSA-N 205.213 2.177 0 40 BEAB CC[C@H]1CCCCN1c1cc(Cl)nc(N)n1 45023500 TUJDXKYFRBKGAU-QMMMGPOBSA-N 240.738 2.481 0 40 BEAB Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)s1 45445919 SPAMNDUEOYVIAW-DTWKUNHWSA-N 239.340 2.306 0 40 BEAB COc1ncccc1NC(=O)N1CCCC[C@@H]1C 48364908 RWYZQLLACVPGSC-JTQLQIEISA-N 249.314 2.497 0 40 BEAB CCS(=O)(=O)N[C@@H](c1ccccc1)C1CC1 48904384 OYSKLLSDMGYLTM-LBPRGKRZSA-N 239.340 2.077 0 40 BEAB Fc1ccc(CNC2CCNCC2)cc1Cl 53149724 SSQRQWCJQQTVGN-UHFFFAOYSA-N 242.725 2.321 0 40 BEAB CC(=O)[C@@H]1C[C@H](c2ccccc2F)OC1=O 57514557 KGMZWPTZZONMOU-GXSJLCMTSA-N 222.215 2.019 0 40 BEAB CCOC(=O)c1ccoc1CN(CC)CC 58283251 PQRBLIQYCVZTQR-UHFFFAOYSA-N 225.288 2.298 0 40 BEAB Cc1cccc(C(=O)NO[C@@H]2CCCCO2)c1C 58330420 QUXOXYVOHYRZLD-CYBMUJFWSA-N 249.310 2.491 0 40 BEAB O=C(O)CCc1cc(F)ccc1Cl 59614458 ZUGDAQDQDCTCRF-UHFFFAOYSA-N 202.612 2.496 0 40 BEAB COc1ccc(C)c2c1N[C@H]1NCCC1=C2 61997517 QMGLJNCHBDORJT-CYBMUJFWSA-N 216.284 2.132 0 40 BEAB CC[C@H](C)NCc1cccc(OCC(=O)O)c1 62717070 WWNAQUXBGJKVLR-JTQLQIEISA-N 237.299 2.038 0 40 BEAB COc1cc(C)cc2c(N)cc(C)nc12 64874674 HNPWLACDSOHXJJ-UHFFFAOYSA-N 202.257 2.442 0 40 BEAB O=C(CCc1cccs1)N1CCSCC1 65517087 VUIPBMITZPMKSO-UHFFFAOYSA-N 241.381 2.256 0 40 BEAB CCOc1cc(O)c(C=O)cc1Cl 72219729 VKFGNGYLZNNQST-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB Cc1cc([C@@H](O)c2ccccc2)cnc1N 72222045 XNIZDAWNVSBPFC-LBPRGKRZSA-N 214.268 2.054 0 40 BEAB Cc1oncc1C(=O)N1CCc2ccccc2C1 74667447 POBCRNIRRNDJNW-UHFFFAOYSA-N 242.278 2.182 0 40 BEAB Oc1cccc(CCNc2cncc(Cl)n2)c1 76062866 BZGJTFRBHKVPQU-UHFFFAOYSA-N 249.701 2.490 0 40 BEAB COc1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)n1 84074669 NQEXOSUPCHUQFT-PHIMTYICSA-N 248.326 2.493 0 40 BEAB Cc1cnc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cn1 84258219 SMUXLIXJKADXCD-WCQYABFASA-N 245.326 2.190 0 40 BEAB C[C@H]1CC[C@H](C)N(c2cc(Cl)nc(N)n2)C1 85696301 KYPFPKVBRCSIMQ-YUMQZZPRSA-N 240.738 2.337 0 40 BEAB Cn1cc([C@@H]2OCC[C@@H]2CNC2CCCC2)cn1 89755268 MPLZXUUMSLPTOD-BXUZGUMPSA-N 249.358 2.030 0 40 BEAB BrC1=NO[C@H]2CCCC[C@@H]12 95098328 FRMLJVTYXPWPDG-RITPCOANSA-N 204.067 2.284 0 40 BEAB COc1cccc(-c2nc([C@@H](N)C(C)C)n[nH]2)c1 95534714 OLNUFAYRHMGQEW-NSHDSACASA-N 246.314 2.136 0 40 BEAB C[C@H]1CC[C@H](NCCO)c2ccccc21 96033278 WISRJPYWVVFHGZ-GWCFXTLKSA-N 205.301 2.207 0 40 BEAB C[C@H]1CCCC[C@@]1(CN)NC(=O)OC(C)(C)C 96102471 QNJPTRDSPLWFQA-GWCFXTLKSA-N 242.363 2.419 0 40 BEAB Clc1ccccc1-n1cc2c(n1)CCNC2 96510407 FRUYXTOZPPPIKH-UHFFFAOYSA-N 233.702 2.171 0 40 BEAB O=C(OCCC[C@H]1CCCO1)c1cscn1 97113174 OPLLDFBKHYOVEQ-SECBINFHSA-N 241.312 2.259 0 40 BEAB O=Cc1c(O)cc(C(F)(F)F)cc1F 97439000 YILPZJHXOUTDQW-UHFFFAOYSA-N 208.110 2.363 0 40 BEAB Cc1c(Br)ccn2nccc12 98179713 RFWNGIVOWMSQPT-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCCC1 104188525 YZKOQTQCVIICGQ-SRVKXCTJSA-N 205.301 2.211 0 40 BEAB COc1cccc([C@@H](CN)N2CCC[C@H](C)C2)c1 108349931 AEZAJJACDUCXGH-SWLSCSKDSA-N 248.370 2.427 0 40 BEAB CC(C)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 147072384 FJHPEVGAZVQMHL-NXEZZACHSA-N 229.320 2.013 0 40 BEAB CCOc1ccc([C@H]2C[C@@H]2C(=O)OC)cc1 167136656 QGXLKHOQRBRUCY-NEPJUHHUSA-N 220.268 2.362 0 40 BEAB O=C(O)[C@@H]1C[C@H]1Cc1ccc(F)c(F)c1 217824497 CJMOSIYQNXZRLV-HTQZYQBOSA-N 212.195 2.228 0 40 BEAB COc1ccccc1N1CCN[C@@H]2CCCC[C@H]21 218832621 BMMDBEJVFDAXMM-CHWSQXEVSA-N 246.354 2.416 0 40 BEAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2)n1 257278080 OARRWAPLUQQXPL-SNVBAGLBSA-N 244.298 2.173 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](N)CC[C@H]21 306488420 RJIUIJWKWRYISX-OUAUKWLOSA-N 240.347 2.123 0 40 BEAB COC(=O)c1cc(Br)c(Cl)[nH]1 307069418 CVMCQCWHGHRKKI-UHFFFAOYSA-N 238.468 2.217 0 40 BEAB C[C@H]1CN(C(=O)C2[C@@H]3CCC[C@@H]23)C[C@@H](C)S1 531135499 UYWPEYIDKMHZRM-LMLFDSFASA-N 239.384 2.385 0 40 BEAB O=Cc1c(Br)cnc(Cl)c1F 687828001 BMCOSWISHLTTGH-UHFFFAOYSA-N 238.443 2.449 0 40 BEAB COc1cc(C(=O)O)c2ncccc2c1F 1857789550 ISGZTNDHWVECDY-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB Nc1c2c(nc3c1CCC3)CCCCC2 222410 KBQCZWASJBYBSK-UHFFFAOYSA-N 202.301 2.421 0 40 BEAB CC(C)(C)c1csc2[n+]1CCS2 343076 DIRHVAMXSGOLMI-UHFFFAOYSA-N 200.352 2.439 0 40 BEAB CC(C)C(=O)Nc1nnc(C(C)(C)C)s1 478029 JKJIOHUGIRPYNF-UHFFFAOYSA-N 227.333 2.430 0 40 BEAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 804562 JKCKIMJFFGXHTG-LBPRGKRZSA-N 233.267 2.007 0 40 BEAB O=S1(=O)c2ccccc2[C@@H]2CC=CC[C@H]21 1667906 AAHUGKYBXQRWHB-CMPLNLGQSA-N 220.293 2.276 0 40 BEAB CCCCOCCOCCOC(=O)CCC 1696885 UWAALKSFUOKZEZ-UHFFFAOYSA-N 232.320 2.163 0 40 BEAB N=C(N)c1ccc(OC(=O)c2ccccc2)cc1 2564424 FXWXBLXPGAZOHE-UHFFFAOYSA-N 240.262 2.190 0 40 BEAB Cc1ccc(C(=O)Nc2nncs2)cc1 3016647 YCRQQLNEERIXED-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CC(=O)O)C2 4834018 HGHBHQVHVZOHIY-MWODSPESSA-N 240.299 2.219 0 40 BEAB S=C(Nc1ccc2ncncc2c1)NC1CC1 6548271 CLLCMFGVOFKVNM-UHFFFAOYSA-N 244.323 2.079 0 40 BEAB Cc1ccc(NC(=O)CN2CCCC2)cc1F 7786242 DXHDGOFQIURQCA-UHFFFAOYSA-N 236.290 2.168 0 40 BEAB NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CCC1 8270782 ROCWPVWDTUAALY-SNVBAGLBSA-N 244.294 2.080 0 40 BEAB O=C(CC1CCCC1)NCc1ccncc1 8723331 FPVIHYRZAYHAGK-UHFFFAOYSA-N 218.300 2.278 0 40 BEAB CCc1nc(C)cc(NCCCCCCN)n1 8731063 KQTZAXADHKWYOB-UHFFFAOYSA-N 236.363 2.278 0 40 BEAB COc1ccc(CCOCC2CCNCC2)cc1 14631380 AHFZAGPBQQAPLI-UHFFFAOYSA-N 249.354 2.254 0 40 BEAB O=C(O)[C@@H](c1cccs1)N1CCCCC1 16764558 MMKRGDXZJNXJJH-SNVBAGLBSA-N 225.313 2.360 0 40 BEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCCC1 17283365 UWFGZRZUBQKZAZ-AWEZNQCLSA-N 244.338 2.102 0 40 BEAB Cc1cccc(CN[C@H](C(=O)O)C(C)C)c1 19787737 ULLFDOWKVBFKOM-LBPRGKRZSA-N 221.300 2.194 0 40 BEAB in-vitro CCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20136454 WOADZCDPQAILEN-UHFFFAOYSA-N 227.647 2.387 0 40 BEAB CCn1cc(COc2ccccc2N)cn1 20351876 BWZNXGSMIAXLDJ-UHFFFAOYSA-N 217.272 2.064 0 40 BEAB Cc1ccc(C)n1-c1nc(CC(=O)O)cs1 22223596 NKTLWAFEJJIOJB-UHFFFAOYSA-N 236.296 2.178 0 40 BEAB CN(C(=O)NC[C@H]1CCCO1)c1ccccc1 28051424 MGYAMBFRFIYESS-GFCCVEGCSA-N 234.299 2.011 0 40 BEAB Cc1ccc([C@@H](O)CCN2CCOCC2)c(C)c1 31938726 NDQUWJCLZHVHBC-HNNXBMFYSA-N 249.354 2.059 0 40 BEAB CC(C)NC(=O)Cc1coc(-c2ccccc2)n1 32193225 DRFWSVPEFXGENS-UHFFFAOYSA-N 244.294 2.409 0 40 BEAB CCONC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 40476692 VKSQOZWFRYXPCR-GXSJLCMTSA-N 237.299 2.403 0 40 BEAB CCO[C@@H](C)C(=O)N[C@H](C)c1cccs1 40523427 PYCPAPAWSJBDMI-BDAKNGLRSA-N 227.329 2.350 0 40 BEAB CCOC(=O)c1sc2cccnc2c1N 45028243 ZUFCPBFANOWUSQ-UHFFFAOYSA-N 222.269 2.055 0 40 BEAB in-vitro CCOC(=O)c1ccc(N)cc1C(F)(F)F 47202634 WJUSTBDZBSDNOJ-UHFFFAOYSA-N 233.189 2.464 0 40 BEAB COC(=O)[C@@H](C)Sc1nc2ccccc2o1 48101681 VPHVHOAUARDNCV-SSDOTTSWSA-N 237.280 2.481 0 40 BEAB O=C(O)c1cnc(-c2ccc(F)c(F)c2)nc1 54856992 IQPJANCYFXDBCU-UHFFFAOYSA-N 236.177 2.120 0 40 BEAB C[C@H]1CCCCN1Cc1cnc(N)s1 58082847 JTHSWUAZIVCTTC-QMMMGPOBSA-N 211.334 2.100 0 40 BEAB CON(C)C(=O)c1cccc(OCC(C)C)c1 70153530 KSWRVQHEVYLXNZ-UHFFFAOYSA-N 237.299 2.355 0 40 BEAB Cc1nc(COC(=O)C2CCCCC2)no1 71810713 ZTWNXOOLEVSNLK-UHFFFAOYSA-N 224.260 2.002 0 40 BEAB C[C@@H](CCO)SCc1nc(C(C)(C)C)no1 71922072 TVYQMLPFXFGKOL-QMMMGPOBSA-N 244.360 2.371 0 40 BEAB CC(C)[C@@H](N[C@@H](C)CC(N)=O)c1ccccc1 78739171 OZZATYMCYNVQOP-SMDDNHRTSA-N 234.343 2.237 0 40 BEAB COC(=O)c1ccc(C(=O)C(C)C)cc1 85386457 FDFGUTZYPYEQNI-UHFFFAOYSA-N 206.241 2.312 0 40 BEAB Brc1ccc2c(n1)NCCC2 88189925 IVDDWRXUYSGHPO-UHFFFAOYSA-N 213.078 2.202 0 40 BEAB O=C(O)c1c(Br)ccc2n[nH]cc12 89196654 FLDMHXBQEUSTQR-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CCOC(=O)COc1cc(F)c(F)c(F)c1 95733917 ZSXRWOPFQQJVSZ-UHFFFAOYSA-N 234.173 2.046 0 40 BEAB Cn1cc(-c2csc(CC3CC3)n2)cn1 96009354 JFMWTEFHAMCHHM-UHFFFAOYSA-N 219.313 2.496 0 40 BEAB NC[C@@H]1CCCCN1CCc1ccc(F)cc1 96523599 RWAPTHDGEHBIDG-AWEZNQCLSA-N 236.334 2.181 0 40 BEAB OCc1ccc2c(c1)OC(F)(F)C(F)(F)O2 98210833 CXYBLVMTKMJBRX-UHFFFAOYSA-N 238.136 2.136 0 40 BEAB Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@@H](C1)N2 100034721 CEIRCCADSFHOQD-QWRGUYRKSA-N 234.347 2.165 0 40 BEAB NN[C@H](c1ccc(Cl)cc1)C(F)(F)F 161784682 AGFONTFVVCGKOR-SSDOTTSWSA-N 224.613 2.407 0 40 BEAB C[C@@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@@H]1C 195572894 MHPSOYMHARAAOD-DTORHVGOSA-N 211.305 2.064 0 40 BEAB CCOC(=O)Cc1c[nH]c2cc(F)ccc12 222372476 RBZZAAYBXCBODJ-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB COC[C@H](C)NC(=O)c1ccc(C)cc1Cl 225002917 RVSYSRGEVBLJEH-VIFPVBQESA-N 241.718 2.413 0 40 BEAB CCO[C@@H](Cc1cccc(C)c1C)C(=O)O 225024170 GNQZOIWXBPUOOZ-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB Cc1ccncc1[C@@](C)(O)C(F)(F)F 256054161 VEBBRGHYDOUWIA-MRVPVSSYSA-N 205.179 2.160 0 40 BEAB CCCSc1nnc(Cc2ccccc2)n1N 409103484 WTGAXXILPJTUSU-UHFFFAOYSA-N 248.355 2.085 0 40 BEAB O=C1CC[C@@H](Cc2ccccc2)[C@@H](C(=O)O)C1 53538 RPYASTUWLRHTAX-AAEUAGOBSA-N 232.279 2.299 0 40 BEAB biogenic CCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 84290 PWYLXRNBRJWEPH-VIFPVBQESA-N 232.283 2.160 0 40 BEAB CC(=O)O[C@@H]1C=C(C)c2ccc(O)cc2O1 156834 GEZBAOYXNXCUFM-LBPRGKRZSA-N 220.224 2.077 0 40 BEAB biogenic,in-vitro CC(=O)c1c(C)[nH]c(C(=O)N2CCCCC2)c1C 429525 KTHARECWEKEPBR-UHFFFAOYSA-N 248.326 2.460 0 40 BEAB CCOc1cc(C(=O)O)cc(Cl)c1OC 479876 WBAXVERGIUQKDL-UHFFFAOYSA-N 230.647 2.446 0 40 BEAB O=C(O)CCC(=O)c1c(F)cccc1F 2378728 ZZKJZIUCLOKLOT-UHFFFAOYSA-N 214.167 2.012 0 40 BEAB NC1CCC(NC(=O)OCc2ccccc2)CC1 2512972 JQVBZZUMWRXDSQ-UHFFFAOYSA-N 248.326 2.183 0 40 BEAB Cc1nn(Cc2ccccc2)c(C)c1CN 4218563 LVFJOKRQRQBQAZ-UHFFFAOYSA-N 215.300 2.007 0 40 BEAB in-vitro O=C(Nc1ccncc1)N1CCCCC1 5043171 BSWDNUSIIYFVTM-UHFFFAOYSA-N 205.261 2.099 0 40 BEAB CCOC(OCC)[C@@H](O)c1ccccc1 5837579 YSGJEEVUJUHJOJ-NSHDSACASA-N 210.273 2.119 0 40 BEAB CC[C@H](C)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 6358520 CMRZYYUYDQRCEO-IUCAKERBSA-N 245.319 2.401 0 40 BEAB O[C@H](C[n+]1ccccc1)c1c[nH]c2ccccc12 6567684 GBIXMBKNGGDDHG-OAHLLOKOSA-N 239.298 2.189 0 40 BEAB Cc1ccc(-c2nc(C)cc(NN)n2)cc1 8731092 KAGKUIXYISYPGO-UHFFFAOYSA-N 214.272 2.046 0 40 BEAB COc1cccc2c(CC(=O)O)c(C)[nH]c12 11919582 ONWODWWUWQFYSF-UHFFFAOYSA-N 219.240 2.112 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1cc(F)cc(F)c1 12588322 YGAOJDIAWNHGJP-SSDOTTSWSA-N 249.282 2.042 0 40 BEAB Cc1cccnc1NC(=O)c1ccco1 13208130 LACFYWOWRKQEPJ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB COC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 15440641 SNVRBOCTVFEKPZ-SECBINFHSA-N 247.216 2.268 0 40 BEAB CCNC(=O)/C=C/c1nc2ccccc2s1 15501317 YNDFJKAEWVUROA-BQYQJAHWSA-N 232.308 2.446 0 40 BEAB NC1(Cc2cccc(Cl)c2)CCOCC1 16755401 PNEQMNKICSWGFS-UHFFFAOYSA-N 225.719 2.390 0 40 BEAB Cc1ccccc1OC[C@H](O)CNC(C)(C)C 16758590 BJOVXRRJZMTSML-GFCCVEGCSA-N 237.343 2.123 0 40 BEAB Cn1c(CNC2CC2)cc2ccccc21 16941675 LHZVNYRFQQSGLL-UHFFFAOYSA-N 200.285 2.430 0 40 BEAB in-vitro CCN(C(=O)[C@@H]1CCCNC1)C1CCCCC1 19412431 LYKIUTUMPGTYOK-GFCCVEGCSA-N 238.375 2.167 0 40 BEAB O=C(O)c1cccn1CCc1ccccc1 19802946 ZXBHYCRVSIUNAJ-UHFFFAOYSA-N 215.252 2.429 0 40 BEAB in-vitro COc1ccc(C(=O)O)nc1-c1ccccc1 19872941 OQCAPSMJISQCJW-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB O=C(O)c1cc2c(cn1)[nH]c1ccccc12 20104435 ARLVFKCLBYUINL-UHFFFAOYSA-N 212.208 2.414 0 40 BEAB COc1ccc(N)cc1C(=O)NC1CCCCC1 20156053 QBUNUZZKMMTFTK-UHFFFAOYSA-N 248.326 2.340 0 40 BEAB CCOc1cc2c(cc1OCC)CCNCC2 20286412 KIWFZPCCQMINKJ-UHFFFAOYSA-N 235.327 2.172 0 40 BEAB Cc1c(COc2ccc(N)cc2F)cnn1C 20352193 FOSMDRHULLGTKV-UHFFFAOYSA-N 235.262 2.029 0 40 BEAB Cc1noc(C)c1CCC(=O)Nc1ccccn1 23441012 LZYOBXATDVPULY-UHFFFAOYSA-N 245.282 2.258 0 40 BEAB Cc1cc(OC(C)(C)C(N)=O)ccc1Cl 33433842 BDIHUXBBSKGTAA-UHFFFAOYSA-N 227.691 2.291 0 40 BEAB c1ccc2oc(O[C@H]3CN4CCC3CC4)nc2c1 34147277 ONZZUKINKMKNFG-ZDUSSCGKSA-N 244.294 2.301 0 40 BEAB N=C(NO)c1c(C(F)(F)F)ccc(F)c1F 34279389 VYYGIBIHKAKDQL-UHFFFAOYSA-N 240.131 2.288 0 40 BEAB COC(=O)Nc1nc2c(C)cccc2[nH]1 34742271 TZVPHEKAVUIROV-UHFFFAOYSA-N 205.217 2.050 0 40 BEAB Nc1ccc2c(c1)CC(=O)N2Cc1ccccc1 35058918 HQEQUUVILDGJAC-UHFFFAOYSA-N 238.290 2.358 0 40 BEAB O=C(Cc1cccc2cccnc12)NC1CC1 40485785 WKQGSEKLCKACJR-UHFFFAOYSA-N 226.279 2.056 0 40 BEAB CCCc1noc(CN(C)Cc2ccco2)n1 42624993 NDMIELWTIUJQLC-UHFFFAOYSA-N 235.287 2.247 0 40 BEAB Brc1csc(C2CCNCC2)n1 44122186 ZBFMWLRBFKKZJC-UHFFFAOYSA-N 247.161 2.373 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 44575023 RKDGWGVZONGCQA-KCJUWKMLSA-N 243.266 2.331 0 40 BEAB Cc1ccsc1CN(C)C(=O)[C@H]1CCCO1 47532017 CJRBCSVVXXKTHU-SNVBAGLBSA-N 239.340 2.194 0 40 BEAB CN(C)c1nc(Cl)nn1Cc1ccccc1 49538519 PUXWWPWSZKLATN-UHFFFAOYSA-N 236.706 2.046 0 40 BEAB COc1cc(C)cc2c1ncc1c(O)n[nH]c12 64874676 UORFMBKJUWIAOY-UHFFFAOYSA-N 229.239 2.134 0 40 BEAB NC(=O)c1cccc(-c2cccc(O)c2)c1 65339982 BQRRGDDGUKOPJO-UHFFFAOYSA-N 213.236 2.158 0 40 BEAB CC(C)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 72203600 AWYSTTQBDWOKLF-NSHDSACASA-N 242.363 2.384 0 40 BEAB Cc1cc(CN)cnc1N1CCCCCC1 72222480 HUZHLRSHHPDKTQ-UHFFFAOYSA-N 219.332 2.229 0 40 BEAB Cc1ccc(-c2cc(CCN)[nH]n2)c(C)c1 72226121 JUKYNSSDZPTMMP-UHFFFAOYSA-N 215.300 2.195 0 40 BEAB O=C1C[C@@H](C(=O)O)c2cc(Cl)ccc21 75619954 OFZCDQDDHXZCMB-MRVPVSSYSA-N 210.616 2.095 0 40 BEAB NC(=O)Nc1c(F)cccc1C(F)(F)F 75903281 UNADWBGSJMLRRB-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CCc1ccc(NC(=O)c2cnco2)cc1 82323247 GKOGKYIMXAFLOP-UHFFFAOYSA-N 216.240 2.489 0 40 BEAB C[C@H](N)c1nnc(-c2ccccc2)s1 82532360 LDHQMPZBBRWDJH-ZETCQYMHSA-N 205.286 2.225 0 40 BEAB Cc1cc(CN2CCOC3(CCCC3)C2)no1 84117095 GPUKSDBSMSMOIL-UHFFFAOYSA-N 236.315 2.128 0 40 BEAB NCC1(c2cccc(OC(F)F)c2)CC1 89262721 UYODAACALKCSSU-UHFFFAOYSA-N 213.227 2.278 0 40 BEAB CS(=O)(=O)c1ccc2nccc(Cl)c2c1 91690816 KJVKESYMVCSYLW-UHFFFAOYSA-N 241.699 2.292 0 40 BEAB CCCNCc1cnn2ccc(C)cc12 96509135 MUPGAAGAHQZBJQ-UHFFFAOYSA-N 203.289 2.142 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1cc(C)oc1C 97137087 KVIUYVVDIABNMG-MRVPVSSYSA-N 240.255 2.005 0 40 BEAB CCc1noc(C)c1[C@H](C)N1CCC(O)CC1 97165326 URIHQTGBPIZAQI-VIFPVBQESA-N 238.331 2.063 0 40 BEAB C[C@H](C(=O)Nc1cnccn1)c1cccc(F)c1 97379882 LWFILCKJPOCTCL-VIFPVBQESA-N 245.257 2.358 0 40 BEAB CC1(C)C[C@]2(C(=O)O)CC[C@]1(C)[C@@H](O)C2 216577312 LEQOOBIITMGKPW-AXTRIDKLSA-N 212.289 2.038 0 40 BEAB O=C(O)C12CCCC(Br)(C1)C2 238682222 IZVTVNLRLCAJGR-UHFFFAOYSA-N 219.078 2.169 0 40 BEAB CCCOCc1nn(C)cc1Br 408716905 SNLPFKNAQBDWDS-UHFFFAOYSA-N 233.109 2.109 0 40 BEAB CCc1[nH]c2c(O)cccc2c(=O)c1CC 685938208 GGYKBCUIZMNZEU-UHFFFAOYSA-N 217.268 2.359 0 40 BEAB CO[C@@H]1C[C@H]1C(=O)Nc1cscc1Cl 828951623 FDXHLMNLTCJJJU-SVGQVSJJSA-N 231.704 2.375 0 40 BEAB OCc1ccc(OCCF)cc1Cl 1776010713 BJMLVFMXXPHGMF-UHFFFAOYSA-N 204.628 2.181 0 40 BEAB CCCn1c(-c2nonc2N)nc2ccccc21 52339 UZZWGLMVBYGQSK-UHFFFAOYSA-N 243.270 2.079 0 40 BEAB CCOc1nc2ccccc2nc1OCC 162534 QLSXCJKMUFXIFW-UHFFFAOYSA-N 218.256 2.427 0 40 BEAB CN(C)CCCN1C[C@H]2CCCC[C@H]2C1 1676227 KPIFYCALUBLAEA-BETUJISGSA-N 210.365 2.060 0 40 BEAB c1ccc2c(NC[C@@H]3CCCO3)ncnc2c1 2477332 UFAXTUSUCTWHKS-JTQLQIEISA-N 229.283 2.221 0 40 BEAB CN(Cc1cccs1)C(=S)SCCO 2572850 XCJIYRCAWCMGAX-UHFFFAOYSA-N 247.410 2.190 0 40 BEAB c1ccc(CSc2nc3ncccn3n2)cc1 2732227 QBNAOWLPAXLFLO-UHFFFAOYSA-N 242.307 2.417 0 40 BEAB O=C(O)[C@@H]1CCCN1Cc1ccccc1Cl 3747864 ALBVGWFFCGZRBU-NSHDSACASA-N 239.702 2.389 0 40 BEAB CC1(C)CSCC(C)(C)C1C(=O)O 3852250 DFFJUOICRITUHZ-UHFFFAOYSA-N 202.319 2.486 0 40 BEAB biogenic CCCCCNS(=O)(=O)c1cccs1 3907372 MEJXQDJNMXTVJI-UHFFFAOYSA-N 233.358 2.217 0 40 BEAB O=C(O)COc1cccc2c1CCCC2 4201314 ZLTIOGLTLCOWJI-UHFFFAOYSA-N 206.241 2.029 0 40 BEAB in-vitro CO[C@H](c1ccccc1)C1CCNCC1 11630805 UEUIZCAEPUNEDC-CYBMUJFWSA-N 205.301 2.374 0 40 BEAB Cc1ccccc1N1[C@H](C)CNC[C@H]1C 11632595 NDHVNJMTOCZUEU-VXGBXAGGSA-N 204.317 2.182 0 40 BEAB CC(C)(C)NCC(=O)Nc1ccc(F)c(F)c1 12822165 VSJLOEHFHQUUFW-UHFFFAOYSA-N 242.269 2.291 0 40 BEAB C[C@H](Sc1ccccc1F)C(=O)N(C)C 12987309 VITLSTIHEYXQAK-QMMMGPOBSA-N 227.304 2.395 0 40 BEAB CO[C@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 15974658 BDTMQUOWMAHRJI-AWEZNQCLSA-N 231.295 2.338 0 40 BEAB CC(C)C1N2[C@@H](C(C)C)N[C@H](C(C)C)N12 19170362 UBQIKKGERZTSPJ-BIUAKOJJSA-N 211.353 2.069 0 40 BEAB CC(C)CC(=O)Nc1ccc(CN)cc1 20224315 KNQIROZBVGPMHC-UHFFFAOYSA-N 206.289 2.130 0 40 BEAB Cc1[nH]c(-c2ccccc2F)nc1C(=O)O 20445625 JUSYYKPGTBYKLB-UHFFFAOYSA-N 220.203 2.222 0 40 BEAB O=C(O)c1cc(O)c(F)c(F)c1Cl 22002394 RDEXVHHMCRELKV-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB C1CCCN([C@@H]2CN3CCC2CC3)CCC1 22578876 QJMFPWLHIFGDNP-CQSZACIVSA-N 222.376 2.347 0 40 BEAB CCOC(=O)c1n[nH]c2ccc(Cl)cc12 26896650 RYZAFUIELFHCSW-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB in-vitro CCN(C(=O)c1cnn(C)c1)c1ccccc1 32768033 JIJQETKLTFPLQH-UHFFFAOYSA-N 229.283 2.087 0 40 BEAB CN(Cc1ccc(Cl)cc1)[C@@H]1CCOC1=O 32904950 HFUSRAFRKNEFEU-LLVKDONJSA-N 239.702 2.087 0 40 BEAB CCOC(=O)c1nnc2ccccc2c1Cl 34120826 IJSRLSPZAHLSHV-UHFFFAOYSA-N 236.658 2.460 0 40 BEAB O=C(c1ccoc1)N(Cc1ccccn1)C1CC1 35403768 CGGAMCUTXUVVQB-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB CN1CCC([C@H]2NCCc3ccccc32)CC1 40165581 WEDLGMLSWRZSQM-OAHLLOKOSA-N 230.355 2.215 0 40 BEAB CC(C)(C)NC(=O)C(C)(C)Br 41696916 WQOWHMXKLMGNFG-UHFFFAOYSA-N 222.126 2.075 0 40 BEAB O=C(O)c1c[nH]c2nc(C(F)(F)F)ccc12 44700143 FIYMRPOROUFLRP-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB c1cc(-n2cnnc2)ccc1N1CCCCC1 45958334 ICGMBBQURHDULG-UHFFFAOYSA-N 228.299 2.258 0 40 BEAB Cc1nc(CC(F)(F)F)sc1C(=O)O 48798457 JYHPIPGZGVCHDG-UHFFFAOYSA-N 225.191 2.255 0 40 BEAB in-vitro CCc1cc(NC(=O)Cc2ccc(F)cc2)[nH]n1 49138930 FWWKKOGTBIJYQZ-UHFFFAOYSA-N 247.273 2.292 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC 49601606 ZMDCPOPRSSKMMN-CQSVWGFXSA-N 239.315 2.124 0 40 BEAB biogenic,in-vitro C[C@H]1CNCCN1Cc1cccc(Cl)c1 54373129 LNTSUUZINYEMMR-JTQLQIEISA-N 224.735 2.134 0 40 BEAB Cc1nc(NCC[C@H](C)O)c2ccsc2n1 55568965 KNJFYWWJMXMLAL-ZETCQYMHSA-N 237.328 2.183 0 40 BEAB CCCC(=O)NCCCN1CCC(C)CC1 61553530 DWYBZXVIOWRQOF-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB CCOC(=O)CN1CCCC[C@H]1c1cccnc1 61989698 KXYPOEDEFIOOHR-ZDUSSCGKSA-N 248.326 2.172 0 40 BEAB biogenic Cc1nccc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72344671 PRQWDWOJZBPIJO-LBPRGKRZSA-N 247.342 2.147 0 40 BEAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cc[nH]n1 72350795 ZKXVWSGMOBNETF-SNVBAGLBSA-N 221.304 2.119 0 40 BEAB C[C@H]1[C@H](C(=O)O)CCCN1C(=O)OC(C)(C)C 79041936 TZNCDXAIDIETKV-DTWKUNHWSA-N 243.303 2.107 0 40 BEAB Cc1ccccc1CN(C(=O)[C@H](C)N)C(C)C 79420560 KFAUQAUUGNQGFJ-LBPRGKRZSA-N 234.343 2.079 0 40 BEAB CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O 82164287 SEUXPDHPZUFZFQ-LLVKDONJSA-N 231.292 2.012 0 40 BEAB in-vitro O=C(C1=CCCCO1)N1CC[C@@H]2CCCC[C@@H]21 89818643 GANXLICJLUNNQW-RYUDHWBXSA-N 235.327 2.472 0 40 BEAB Cc1cc(C(N)=O)c(F)cc1C(F)(F)F 91252357 YHTYNOXDHGBXMS-UHFFFAOYSA-N 221.153 2.252 0 40 BEAB O=C(NC[C@H]1CO1)c1c(Cl)cccc1Cl 95096917 ZGNIXEZUMVFHKK-LURJTMIESA-N 246.093 2.122 0 40 BEAB Cc1cc(-n2cccc2)ccc1C(=O)N(C)C 95350934 KQLUNKCWYZJPRX-UHFFFAOYSA-N 228.295 2.488 0 40 BEAB C[C@H](Nc1cnccn1)[C@H](O)c1ccc(F)cc1 97104616 FVCZAOIXBOXWPY-ZANVPECISA-N 247.273 2.150 0 40 BEAB O=c1c(Br)cccn1CC1CCC1 98213618 NJUNZXVQNSRNOT-UHFFFAOYSA-N 242.116 2.411 0 40 BEAB CCOc1ccccc1C(=O)O[C@H]1CCOC1 107017119 WYQGHJDTIADXAZ-JTQLQIEISA-N 236.267 2.031 0 40 BEAB CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 170621092 WMCIENSNBKBGKV-IDTSFGKNSA-N 247.338 2.230 0 40 BEAB COc1ccc(C)c2c(NCCN)cc(C)nc12 222691568 VXGOBFBMYTUGET-UHFFFAOYSA-N 245.326 2.231 0 40 BEAB CC[C@H](C)NC(=S)Nc1cccc(C)n1 225274285 TZINOFCWGAJYRA-QMMMGPOBSA-N 223.345 2.475 0 40 BEAB O=c1c(-c2ccccc2)cncn1CCCF 252491915 LZLIATXBRIJALP-UHFFFAOYSA-N 232.258 2.270 0 40 BEAB c1cc(C[C@H]2CCCNCC2)c2cn[nH]c2c1 257198304 YPKKPDZCQSRPPY-NSHDSACASA-N 229.327 2.495 0 40 BEAB Clc1ccc2c(c1)CCC[C@]21COCCN1 306145838 RWXLCZJQDFCYHD-ZDUSSCGKSA-N 237.730 2.491 0 40 BEAB O=C(O)[C@@H]1CCCC[C@H]1OC(F)(F)F 953109291 XOGSAPASFNJFLA-PHDIDXHHSA-N 212.167 2.166 0 40 BEAB Fc1cc(F)c(F)c(-n2ccnc2)c1F 56836 LMGDDTFQPQTOIU-UHFFFAOYSA-N 216.137 2.429 0 40 BEAB CCC[C@]1(c2ccccc2)OC[C@@H](CO)O1 1696799 WTRULDHVZHPDHC-OLZOCXBDSA-N 222.284 2.047 0 40 BEAB CCO[P@]1(=O)OC(C)(C)C[C@]1(C)O 2007425 GTQYAZQCUFLOCL-OQPBUACISA-N 208.194 2.123 0 40 BEAB O=C(O)[C@@]1(Cc2ccccc2Cl)CCCN1 2527739 DHCULKZTSGDUNZ-LBPRGKRZSA-N 239.702 2.089 0 40 BEAB Sc1nnc2c(n1)[nH]c1ccc(Cl)cc12 6557487 XHRDALPHMJKAFE-UHFFFAOYSA-N 236.687 2.448 0 40 BEAB Nc1cccc(Oc2ccnc(C(=O)O)c2)c1 8764118 WYLWNLCNJUBGRL-UHFFFAOYSA-N 230.223 2.154 0 40 BEAB Cc1cc(C)cc(NC2=NC(=O)CS2)c1 12341767 RGLCFEXHTFHCCU-UHFFFAOYSA-N 220.297 2.345 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1 12410438 BAIZGXIYKGQGAN-AOOOYVTPSA-N 207.273 2.398 0 40 BEAB C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCO1 16970911 ZTHUFHDZSOTLRE-ZYHUDNBSSA-N 225.332 2.250 0 40 BEAB CCCCNC(=O)Cc1cccc(F)c1 19934854 MPGPTGPAFQICHV-UHFFFAOYSA-N 209.264 2.285 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H](O)CC12CCC2 20282749 HEGAYMHXIDYCSW-JTQLQIEISA-N 241.331 2.301 0 40 BEAB in-vitro CCc1nnsc1C(=O)NC1CCCCC1 24975991 MGLVTOPTPZXHGW-UHFFFAOYSA-N 239.344 2.163 0 40 BEAB in-vitro O=C(Cc1ccsc1)Nc1ccncc1 25323331 OEZGWFGBQAEYLJ-UHFFFAOYSA-N 218.281 2.324 0 40 BEAB COc1ccc(C(=O)N[C@H](C)C2CC2)c(OC)c1 32748162 ZPVWUISXFOZQAM-SECBINFHSA-N 249.310 2.232 0 40 BEAB COC(=O)C[C@@H]1CCCN1Cc1ccccc1 34469809 FDDKIOBSNZVSGD-ZDUSSCGKSA-N 233.311 2.214 0 40 BEAB COc1ccc(CCNCC2CC2)cc1 36154587 LWPCLEVHOXFNBU-UHFFFAOYSA-N 205.301 2.237 0 40 BEAB C=CC(=O)NCCSc1ccccc1 37904273 HIMWSHJQUVVNBC-UHFFFAOYSA-N 207.298 2.081 0 40 BEAB O=C(CCc1cccs1)Nc1c[nH]ccc1=O 40513472 QXJJBPLUADHUPR-UHFFFAOYSA-N 248.307 2.008 0 40 BEAB O=C(C1CCC1)N1CCc2ccc(O)cc2C1 41065265 BCKVIQDBNKUUPW-UHFFFAOYSA-N 231.295 2.077 0 40 BEAB COC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 41421857 WIWYUMLFLGREMI-PWSUYJOCSA-N 235.283 2.215 0 40 BEAB CNC(=O)Cc1coc2cc3c(cc12)CCC3 45163677 WPNKJRTVFHRPAW-UHFFFAOYSA-N 229.279 2.210 0 40 BEAB Cc1cc(NN)nc(-c2cccc(Cl)c2)n1 45918605 PJGFQXGSEXJLBN-UHFFFAOYSA-N 234.690 2.391 0 40 BEAB CC(C)(C)NC(=O)C1=NO[C@H](c2ccccc2)C1 52998094 LDYUAGMAPUPROD-LBPRGKRZSA-N 246.310 2.419 0 40 BEAB COc1ccc(CN2CCO[C@H](C)C2)cc1F 54172154 LVBXPUAOGCBZSA-SNVBAGLBSA-N 239.290 2.055 0 40 BEAB O[C@@H](c1cc(F)cc(F)c1)c1ccccn1 55201224 CLWPJAZARJLYNB-LBPRGKRZSA-N 221.206 2.442 0 40 BEAB Cc1ccc(CC(=O)NCCCOC(C)C)cc1 59241811 OKZJDQPKIRJUMT-UHFFFAOYSA-N 249.354 2.469 0 40 BEAB O[C@H]1Cc2ccccc2[C@H]1NCc1ccsc1 65274917 ZNUAXQOWGPQKAG-UONOGXRCSA-N 245.347 2.496 0 40 BEAB Cc1cnn(C[C@H](C)NCCc2cccs2)c1 69923274 WIXFVQIZHNCSQG-LBPRGKRZSA-N 249.383 2.474 0 40 BEAB COC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 71257527 FZOFMKCQDCVJKS-SNVBAGLBSA-N 229.320 2.280 0 40 BEAB O=C(O)c1cc(-c2ccc(Cl)cc2)ncn1 71545197 HAWXZJKGSRBSAI-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB in-vitro CCC(=O)NCC1(O)CCC(C(C)(C)C)CC1 71893324 UGRVLQOPGIYXCF-UHFFFAOYSA-N 241.375 2.480 0 40 BEAB O=CN1CCCC[C@H]1c1cccnc1NC1CC1 72213750 GNQIKGCWHRMVSD-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB CC[C@H](O)c1ccc(NC2CC2)nc1C 72224854 ITWCEAPQDNUDDV-NSHDSACASA-N 206.289 2.408 0 40 BEAB O=C1CCCN1Cc1noc(C2CCCCC2)n1 72329913 ITBJWRQQZWMLBB-UHFFFAOYSA-N 249.314 2.240 0 40 BEAB COC(=O)c1cc(C(F)(F)F)ccc1O 82726147 WYAZXWRYHRTDET-UHFFFAOYSA-N 220.146 2.198 0 40 BEAB CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC 84740596 MSOSVFHZZBTXDD-IJLUTSLNSA-N 227.348 2.496 0 40 BEAB O=C(O)c1ccc(-c2cccc(O)c2)o1 85344236 UWYDNQSZSBEWFI-UHFFFAOYSA-N 204.181 2.350 0 40 BEAB O[C@@H]1C[C@H](C(F)(F)F)Cc2occc21 85399117 FTZPTZPDPBNTEC-CAHLUQPWSA-N 206.163 2.438 0 40 BEAB Cn1cc([C@H]2OCC[C@@H]2CNC2CCCC2)cn1 89755266 MPLZXUUMSLPTOD-RISCZKNCSA-N 249.358 2.030 0 40 BEAB CC(C)=C(F)C(=O)Nc1cnc2[nH]nc(C)c2c1 90408265 UXWDUFZYRGMLSS-UHFFFAOYSA-N 248.261 2.468 0 40 BEAB CCOC(=O)CCCCN1CCS[C@H](C)C1 95399806 WTUDBXHHRFRCBY-LLVKDONJSA-N 245.388 2.157 0 40 BEAB CCc1cccc2c3nnc(S)nc3n(C)c12 96319331 TYSGPBXZUJOJFR-UHFFFAOYSA-N 244.323 2.368 0 40 BEAB CCCC(O)(CCC)CNC(=O)c1ccoc1 96418507 DKGNZAAKLDWGEB-UHFFFAOYSA-N 239.315 2.341 0 40 BEAB CC[C@@H](C[C@@H](C)CO)Nc1cccc(F)n1 96436785 GTTOLSAKFIFOCH-ZJUUUORDSA-N 226.295 2.430 0 40 BEAB CN(CCc1ccncc1)CCc1nccs1 96483885 HCNOGFHYRAQQQK-UHFFFAOYSA-N 247.367 2.255 0 40 BEAB CN1CC[C@@H](N)c2cc(Cl)ccc2C1 96509721 XIFVNCLCMYZZAH-LLVKDONJSA-N 210.708 2.175 0 40 BEAB C[C@@H](Cc1ccc(F)cc1)N1CCC[C@@H]1CN 97102809 CJTHVAHMTXTEJG-SMDDNHRTSA-N 236.334 2.180 0 40 BEAB C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C2CC2)C1 97138452 LJHHOJBZZCGGLP-QMTHXVAHSA-N 239.359 2.090 0 40 BEAB CCCc1cnc(NCc2cc[nH]n2)s1 97375456 HCGUTYFRXIYUGC-UHFFFAOYSA-N 222.317 2.431 0 40 BEAB C[C@H](C(=O)Nc1cnccn1)c1cccs1 97379871 SLUKBNIUPZPROP-QMMMGPOBSA-N 233.296 2.280 0 40 BEAB CN1[C@H]2CCC[C@@H]1C[C@@H](OC(=O)c1ccco1)C2 100745143 GGHICGWVZFRCPF-ZSBIGDGJSA-N 249.310 2.452 0 40 BEAB CN(C)c1ccc([Si](C)(C)C)c(F)c1 169808300 ZVZGIZVNUJYQKY-UHFFFAOYSA-N 211.356 2.437 0 40 BEAB CCc1cn(-c2ccc(C(=O)OC)cc2)cn1 199822471 ZPVHDSFXEGTKCH-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB O=C(NCC[C@H](CCO)c1ccccc1)C1CC1 206624139 UMTOKQOSJWJEQF-CYBMUJFWSA-N 247.338 2.069 0 40 BEAB COC(=O)c1ccn2cc(Cl)cc2c1OC 217656220 KNJNWGWUZNTWHK-UHFFFAOYSA-N 239.658 2.388 0 40 BEAB CCCCOCc1cc(C(N)=O)ccc1OC 224432856 YLILMLIARYCJEL-UHFFFAOYSA-N 237.299 2.111 0 40 BEAB FCCn1cc(NCc2ccco2)cn1 256053701 SNABFUPVVKPWBV-UHFFFAOYSA-N 209.224 2.058 0 40 BEAB Cc1cc(=O)n2ccn(C3CC(C)(C)C3)c2n1 634550784 MJHWDWJMPUQYFV-UHFFFAOYSA-N 231.299 2.166 0 40 BEAB CC(=O)NCC(c1ccco1)c1ccco1 669412068 SCHSDNZUCXQGCQ-UHFFFAOYSA-N 219.240 2.141 0 40 BEAB COc1nc2cccc(F)c2cc1C(=O)O 685937407 OWEUKJZMISDWDC-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB C[C@@H]1CCN(C)c2c(C(=O)O)cccc21 1537958136 RINRGENDUYVXMQ-MRVPVSSYSA-N 205.257 2.328 0 40 BEAB COC(=O)c1cc2ncc(Cl)cc2cn1 1690143454 SCDNENJROXAUNS-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB Cc1ccc(CN2CC(Oc3ccncc3)C2)o1 1889096883 WPWGGBLIDAAEJP-UHFFFAOYSA-N 244.294 2.246 0 40 BEAB CC(C)[C@@H]1NC(=S)N(C2CCCCC2)C1=O 307637 ONXDYTSYCAPBEQ-JTQLQIEISA-N 240.372 2.060 0 40 BEAB Cc1cc(Nc2ccccc2)n2ncnc2n1 1260422 RLASLOLCTAMGCE-UHFFFAOYSA-N 225.255 2.176 0 40 BEAB CCC[C@H](O)[C@@](C)(C(=O)O)c1ccccc1 1577597 XRHHBKJQHNRZHN-AAEUAGOBSA-N 222.284 2.190 0 40 BEAB Oc1ccc2nc3c(nc2c1)CCCC3 4783052 CTHLEPDWPPAASZ-UHFFFAOYSA-N 200.241 2.214 0 40 BEAB CCOP(=O)(OCC)[C@@]1(C)CCC(=O)O1 5462922 DVACCKZPWJXNJS-VIFPVBQESA-N 236.204 2.306 0 40 BEAB Cc1oncc1C(=O)NC1CCCCC1 6184746 CLGIQVNBJWCESK-UHFFFAOYSA-N 208.261 2.046 0 40 BEAB CCOC(=O)c1cc(C(=O)c2ccccc2)on1 12410806 GBGMRACAYBETBI-UHFFFAOYSA-N 245.234 2.082 0 40 BEAB Cc1cccc(NC(=O)c2ccoc2)n1 12545853 XCYJQIRWEHVZTK-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB C[C@H](c1ccccc1)n1cncc1C(=O)N(C)C 13281710 LQXDSNFBXMGMFO-LLVKDONJSA-N 243.310 2.194 0 40 BEAB COC[C@@H](C)OC(=O)c1ccc(Cl)cc1N 20156091 PRQBDTPTBJYOAZ-SSDOTTSWSA-N 243.690 2.114 0 40 BEAB Nc1cc(NC(=O)c2ccccn2)ccc1F 22147938 IFXWKRXBHOHCAI-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCn1cc(CNC(=O)C2CCCCC2)cn1 27918825 FTJQSMPJWAIZGK-UHFFFAOYSA-N 235.331 2.100 0 40 BEAB Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)c(C)o1 27919345 ATMSCMXGFMMZMS-SECBINFHSA-N 247.298 2.121 0 40 BEAB CCC(CC)C(=O)Nc1ccn(CC)n1 27930109 PXBNERQLNWPOIG-UHFFFAOYSA-N 209.293 2.278 0 40 BEAB COc1ccc(NCc2cc[nH]n2)cc1F 36900333 UZHNDLKGSPDRGV-UHFFFAOYSA-N 221.235 2.170 0 40 BEAB CC[C@H](C)[C@@H](Nc1nc(C)cc(C)n1)C(=O)O 38548940 GZWOAOZIERMSMZ-OIBJUYFYSA-N 237.303 2.005 0 40 BEAB COC(=O)c1cc2c(C=O)ccc(OC)c2o1 39194274 AVCWNJCJLPKBFH-UHFFFAOYSA-N 234.207 2.041 0 40 BEAB O=S1(=O)C=Cc2cc(Br)ccc21 39930517 SHMDLUBMDUJLOG-UHFFFAOYSA-N 245.097 2.207 0 40 BEAB CCc1ccc2nccc(N3CCNCC3)c2c1 40175310 PIWHWJIVEQIFAQ-UHFFFAOYSA-N 241.338 2.207 0 40 BEAB COc1cccc([C@@H](O)CN(C)[C@@H](C)C2CC2)c1 44133340 ZHXXABMMPPDLDB-NHYWBVRUSA-N 249.354 2.459 0 40 BEAB Brc1cccnc1NC1CC1 44379118 OHXYCQBQIHRURT-UHFFFAOYSA-N 213.078 2.418 0 40 BEAB NCCc1cc(F)ccc1C(F)(F)F 44396802 FTJNYYAPZBRQIB-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB CC(=O)c1cc(Cl)ccc1O[C@H](C)C(=O)O 50210623 ZDNSZYZGSDMGRM-SSDOTTSWSA-N 242.658 2.395 0 40 BEAB Cc1ccc(NC(=N)NC#N)c(Cl)c1 58836474 HAZZFIZDIHFFDB-UHFFFAOYSA-N 208.652 2.066 0 40 BEAB Cc1nc(-c2cccnc2)ccc1C(=O)O 62720827 OUVLRIFJAHFUTJ-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1 69451299 VCSCKEMWJGQNNT-UHFFFAOYSA-N 247.298 2.177 0 40 BEAB CC(C)CN1CCC[C@H]1c1ccc(N)nc1 72212366 VLAGACIWOOGJBS-LBPRGKRZSA-N 219.332 2.457 0 40 BEAB OCc1c(F)c(F)cc(Br)c1F 75925983 YMTPWNIPNZOWSG-UHFFFAOYSA-N 241.006 2.359 0 40 BEAB COCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C 77559651 HTFGYHDJXIFHMC-GRYCIOLGSA-N 242.363 2.241 0 40 BEAB O=C(O)c1nnc(-c2cccc(F)c2)s1 83321632 FNFVRVKYVVASCA-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB CC[C@H](C)C(=O)NC1(CC(=O)O)CCCCC1 84146752 XXMZXXFMNGCLKK-JTQLQIEISA-N 241.331 2.326 0 40 BEAB CCOc1ccc(-c2nc[nH]n2)cc1OCC 85385314 WTDXLCXUYLZTGJ-UHFFFAOYSA-N 233.271 2.269 0 40 BEAB C[C@H](O)C1(c2ccccc2N(C)C)CC1 95739192 PPEVUKSTCMFTNY-JTQLQIEISA-N 205.301 2.165 0 40 BEAB OCC[C@@H](NCC1CCC1)c1ccccc1 95984413 CNXZGQMSROYAQB-CQSZACIVSA-N 219.328 2.500 0 40 BEAB COc1cc(OCC2CC2)c(C(=O)O)s1 96510880 RRQHMLDNMZQWFC-UHFFFAOYSA-N 228.269 2.244 0 40 BEAB C[C@H]1CC[C@@H](NCCc2ccnn2C)C[C@@H]1C 97380130 YRFQWWUPZJCZGW-RWMBFGLXSA-N 235.375 2.377 0 40 BEAB Cc1cnc(N[C@H]2CC[C@H](O)CC2)nc1Cl 100173987 VLACQWICPSBIKC-DTORHVGOSA-N 241.722 2.154 0 40 BEAB CC(=O)c1ccc(N2C=CN(C)C=C2)c(N)c1 100356512 URHNUOKSSUHOOR-UHFFFAOYSA-N 229.283 2.166 0 40 BEAB C[C@H]1CC=C(B(O)OC(C)(C)C(C)(C)O)CC1 204080074 UTMJSBDUKFVDAE-JTQLQIEISA-N 240.152 2.319 0 40 BEAB Cc1ncc(C(=O)Nc2ccccc2C)cn1 222587119 DZMLXBHVZSRLKT-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB NC(=O)c1cc2ncn(C3CC3)c2cc1Cl 225727816 VLNUUZVXGXWSRW-UHFFFAOYSA-N 235.674 2.124 0 40 BEAB CCNC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 227165823 RXQXFOFTBMRYAZ-LLVKDONJSA-N 243.310 2.247 0 40 BEAB CCN1Cc2nccn2C[C@@H]1c1ccccc1 257232557 GLJIYZKGUSESLF-CYBMUJFWSA-N 227.311 2.460 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nnc1C 302273862 HJUSMQIIFQVQTG-VXGBXAGGSA-N 217.316 2.330 0 40 BEAB CC(=O)NCc1ccc(-c2ccco2)o1 575607174 YCYFAYXSRVYDQD-UHFFFAOYSA-N 205.213 2.176 0 40 BEAB CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 101125 LSSITOHPZHLFFS-UHFFFAOYSA-N 235.327 2.451 0 40 BEAB C[C@H]1CN(c2ncnc3sccc23)C[C@H](C)O1 115891 LCEVDAZWVBWVKB-IUCAKERBSA-N 249.339 2.305 0 40 BEAB CCOC(=O)NC(=S)Nc1ccc(C)cc1 351732 HDYLCXZLIUBLFM-UHFFFAOYSA-N 238.312 2.438 0 40 BEAB CCOC(=O)Cn1cc(C(C)=O)c2ccccc21 4450601 UJYRGRLIKCTUKH-UHFFFAOYSA-N 245.278 2.407 0 40 BEAB COC(=O)C(=O)c1ccc2ccccc2c1 5354100 FVINGLUELKSOJJ-UHFFFAOYSA-N 214.220 2.196 0 40 BEAB CSc1ccc(OCC(=O)NC2CC2)cc1 6127477 SBZAASAAWPOIHS-UHFFFAOYSA-N 237.324 2.066 0 40 BEAB CCOc1ccc2c(c1)c(C=O)cn2C 6870562 AQCLQPYSRXQFGA-UHFFFAOYSA-N 203.241 2.390 0 40 BEAB CC[C@@]1(CCC(C)C)SC(N)=NC1=O 8617689 SXCOJDOJAFHAPT-JTQLQIEISA-N 214.334 2.160 0 40 BEAB Cc1ccc(NC(=O)Cn2ccnc2)cc1Cl 10809237 ABIUJFJSWMSPCX-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB COC(=O)c1cnn(Cc2cccc(C)c2)c1 12396482 JYRLNOVSCFEKMI-UHFFFAOYSA-N 230.267 2.026 0 40 BEAB CCc1cc(=O)[nH]c(SCc2cccnc2)n1 13115376 MAZMWHIKUIVNNM-UHFFFAOYSA-N 247.323 2.020 0 40 BEAB CC/C=C\C(CC)(C(=O)OCC)C(=O)OCC 17162181 LXXABLYRTVFGIJ-KTKRTIGZSA-N 242.315 2.475 0 40 BEAB Fc1ccc([C@]23CCCN2CCCN3)cc1 19329208 IBGMNLQEZMKMKB-ZDUSSCGKSA-N 220.291 2.068 0 40 BEAB COc1cccc(O[C@@H]2CCCC[C@@H]2N)c1 19398072 OOQZNVDFFQHGTL-QWHCGFSZSA-N 221.300 2.344 0 40 BEAB COc1ccc(C)cc1NCCCC(=O)O 19408658 YNIKYUHWSSWCMD-UHFFFAOYSA-N 223.272 2.280 0 40 BEAB in-vitro Nc1cc(NC(=O)C2CC2)ccc1Cl 19736464 WKWWWSHBJUBANY-UHFFFAOYSA-N 210.664 2.271 0 40 BEAB CCOc1ccc(N)cc1C(=O)OCC1CC1 20155841 TUOMYKKAQIMZBU-UHFFFAOYSA-N 235.283 2.234 0 40 BEAB CCCc1cc(C(=O)NC2CCCCC2)[nH]n1 29871092 HYPYCPODPTXZEC-UHFFFAOYSA-N 235.331 2.425 0 40 BEAB Cc1ccc(C)c2c3c([nH]c12)CCNC3 34602288 YNZKQSKYNGWXBG-UHFFFAOYSA-N 200.285 2.430 0 40 BEAB CC(=O)OCC(F)(F)c1ccccc1 34751629 PMYLGCXXLRLDSP-UHFFFAOYSA-N 200.184 2.342 0 40 BEAB Cc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 36794530 PXCANVDNSQWVME-CYBMUJFWSA-N 248.326 2.374 0 40 BEAB CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1 37493039 RYPPOAWYXNPHNU-GFCCVEGCSA-N 237.274 2.077 0 40 BEAB Cc1ccc(C)c2c(N3CCNCC3)ccnc12 40175315 PEAUNAOMQRDQKE-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB COC(=O)c1occc1CN1CCCC[C@H]1C 40475804 WYNCPUIXSWPQFA-SNVBAGLBSA-N 237.299 2.441 0 40 BEAB C[C@@H](N)c1nc(-c2cccnc2)cs1 41059183 ROJJEBWCRGEGET-SSDOTTSWSA-N 205.286 2.225 0 40 BEAB in-vitro CCc1cc(N)n(-c2ccc(F)cc2)n1 41213397 CFBPHFYYWGELKS-UHFFFAOYSA-N 205.236 2.156 0 40 BEAB CC(=O)CSc1nnc(-c2ccoc2C)o1 41384814 XCDXCCCICFVLCI-UHFFFAOYSA-N 238.268 2.319 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 41452832 YSEDDFMFLJVIRO-SECBINFHSA-N 234.299 2.424 0 40 BEAB CN1C(=O)c2ccccc2N[C@@H]1c1ccco1 48376002 WDJWOZQKYFGJGA-LBPRGKRZSA-N 228.251 2.476 0 40 BEAB COc1ccc(NC(=O)NCC2CC2)cc1F 48451078 QLSGUWUWWBCEIN-UHFFFAOYSA-N 238.262 2.366 0 40 BEAB Cc1ccc(-n2cc(C(=O)O)ccc2=O)cc1C 49853268 RZPGDKBBSQNSSH-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB in-vitro O=C(Nc1ccco1)OCC(F)(F)F 58038065 JGFHPHSJQALYBE-UHFFFAOYSA-N 209.123 2.390 0 40 BEAB in-vitro O=C(CSC(F)(F)F)Nc1nccs1 58279191 NBIBIYUYZRCFAS-UHFFFAOYSA-N 242.247 2.335 0 40 BEAB CS[C@H](C)c1nc2ccccc2c(=O)[nH]1 59352193 JPOMTOWDSQOYHA-SSDOTTSWSA-N 220.297 2.347 0 40 BEAB O=C(O)c1noc(Cc2ccc(Cl)cc2)n1 71047984 WLEWSFMVIDEHQG-UHFFFAOYSA-N 238.630 2.012 0 40 BEAB in-vitro C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCCC1 72025389 XSTGZKPQSZFJFN-LLVKDONJSA-N 248.326 2.129 0 40 BEAB NNc1nccc2c(Br)cccc12 72206994 ALLCCIJVYTYISB-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB Cc1nc([C@H]2CCCN2C2CCCC2)cc(=O)[nH]1 72356827 BAOISJKRASXGEE-CYBMUJFWSA-N 247.342 2.158 0 40 BEAB CN1CCC[C@@H](Cc2nccnc2Cl)C1 72363344 IBLDKRUXJUEPSM-VIFPVBQESA-N 225.723 2.014 0 40 BEAB Fc1cc(Cl)ccc1OC[C@H]1CO1 75880968 RILWPWUJBNSZTD-SSDOTTSWSA-N 202.612 2.257 0 40 BEAB CC[C@@H](C)C(=O)NC1(CC(=O)O)CCCCC1 84146751 XXMZXXFMNGCLKK-SNVBAGLBSA-N 241.331 2.326 0 40 BEAB Cc1ccc(-c2noc(CCC(=O)O)n2)c(C)c1 89262118 NXJWHHMWFJACRB-UHFFFAOYSA-N 246.266 2.371 0 40 BEAB Cc1ccc(-n2nc(N)c(C(F)(F)F)n2)cc1 89262513 KHOUWZOCPAPPOP-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB CCc1n[nH]c(S[C@@H](C)CCCOC)n1 89279783 CXMDOPBOJDNBKX-QMMMGPOBSA-N 229.349 2.274 0 40 BEAB c1ncc(-c2ccc3c(c2)OCCO3)o1 95215825 ZSIXZSLHYOZKOI-UHFFFAOYSA-N 203.197 2.113 0 40 BEAB CC[C@@H](C)NC(=O)CCN[C@@H](C)C(C)(C)C 95421004 GMFPTUIDBJDPIO-MNOVXSKESA-N 228.380 2.315 0 40 BEAB CC1CCC(CNC[C@H](C)[S@@](C)=O)CC1 95449367 MIINEVSPNZNRLW-ZCUCKVSOSA-N 231.405 2.169 0 40 BEAB O=C(Cc1ccsc1)NCCc1ccoc1 96120578 PSVSIYPEIGMHCP-UHFFFAOYSA-N 235.308 2.243 0 40 BEAB O=C(O)c1cc(Cl)cc2c1CCCN2 96510186 VLGZEUULAPOJGN-UHFFFAOYSA-N 211.648 2.396 0 40 BEAB Cc1noc(C)c1CS[C@@H](C)C(=O)N(C)C 96946812 DUHDWARLFZRUAD-VIFPVBQESA-N 242.344 2.001 0 40 BEAB CCC(=O)Nc1cc(Br)ccn1 98175383 LSDZPKRYASYGBG-UHFFFAOYSA-N 229.077 2.193 0 40 BEAB in-vitro CN1[C@H]2CC[C@H]1CC1(C2)SCCS1 103992798 VKSXHWATSCYZAH-IUCAKERBSA-N 215.387 2.419 0 40 BEAB CNCC[C@H](CCO)c1ccc(C)cc1 217800143 CVHZNJLZMGPNGX-CYBMUJFWSA-N 207.317 2.071 0 40 BEAB Cc1ccc(N)c(N[C@@H](C(=O)O)C(C)C)c1 223772180 JSVJEAIXJCMTST-LLVKDONJSA-N 222.288 2.098 0 40 BEAB Cc1nn(C)cc1NCc1ccccc1C(=O)O 235802302 YSHZWCQYSGKHLU-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB CC1(C)C(=O)Nc2nc(Cl)nc(Cl)c21 238194785 ZCZCVLHVRQDXIO-UHFFFAOYSA-N 232.070 2.013 0 40 BEAB Cc1cc(NCCc2ccccc2)n(C)n1 256050463 FCGICJPQVKKCDH-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB CCCn1nc(C)cc1CNc1nn(C)cc1C 256053084 PXEADLDICYKPIF-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB COC(=O)c1ccc(C(=O)C(F)F)c(C)c1 309369728 RDMXSCIPTSBIPX-UHFFFAOYSA-N 228.194 2.229 0 40 BEAB Cc1ncnc(NCc2cccnc2)c1C 670779721 PVHQOWQUBDCUMJ-UHFFFAOYSA-N 214.272 2.101 0 40 BEAB Cn1cc(C=O)c2ncc(Br)cc21 953106455 GQUPLOHZIKFKMP-UHFFFAOYSA-N 239.072 2.148 0 40 BEAB CC[C@@H](C)C(=O)NCCc1ccc(O)cc1 7458 GHWNXVWVLOGWPT-SNVBAGLBSA-N 221.300 2.097 0 40 BEAB biogenic OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 217687 PTWVMZJVTUNJRO-JTQLQIEISA-N 241.281 2.169 0 40 BEAB O=C(O)CCCC(=O)c1c(F)cccc1F 2378730 YDTHKKKNBOLTLB-UHFFFAOYSA-N 228.194 2.402 0 40 BEAB Cc1ccc2cccnc2c1NC(N)=S 2384390 GXFGHRCGXNFQEY-UHFFFAOYSA-N 217.297 2.199 0 40 BEAB O=C(O)c1nc(-c2ccccc2)sc1C(=O)O 2386388 TVHXQIGBVCWCIS-UHFFFAOYSA-N 249.247 2.207 0 40 BEAB O=C(O)CCn1cc(Cl)c(C(F)(F)F)n1 2537070 OFWQREWWEXRWKS-UHFFFAOYSA-N 242.584 2.030 0 40 BEAB CC(=O)c1oc2nc(C)cc(C)c2c1N 4245372 UYZZNUIENVPVMZ-UHFFFAOYSA-N 204.229 2.229 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=S)NC1CC1 7522180 MKNUWAZVFTUICI-SECBINFHSA-N 232.352 2.475 0 40 BEAB CCCCOc1n[nH]c(=O)c2ccccc12 8652211 HWUMLSXXLDYRQI-UHFFFAOYSA-N 218.256 2.102 0 40 BEAB CCc1ccc(Nc2ncc(C(=O)O)cn2)cc1 8702948 IIEHBZLTDKSNDI-UHFFFAOYSA-N 243.266 2.481 0 40 BEAB CC(C)Sc1ccc(NC(=O)C2CC2)nn1 13701892 VDGHOFBKBUSCCT-UHFFFAOYSA-N 237.328 2.326 0 40 BEAB C/C=C(/C)C(CC)(C(=O)OCC)C(=O)OCC 16929743 NRZOVKFDZXGHJM-POHAHGRESA-N 242.315 2.475 0 40 BEAB Cc1cc2ncn(C[C@@H](C)N)c2cc1C 19281656 GHFBXCCYQPXBHJ-SNVBAGLBSA-N 203.289 2.000 0 40 BEAB in-vitro O=C(O)CO[C@@H]1CCCc2ccccc21 19426941 BYFHZBLEBSOMPZ-LLVKDONJSA-N 206.241 2.165 0 40 BEAB in-vitro CC[C@H](C)C(=O)Nc1ccc(N)cc1F 20157255 YRFARRNULJALDL-ZETCQYMHSA-N 210.252 2.393 0 40 BEAB CC[C@](C)(C(=O)OC)N1CCCC[C@@H]1C 22123463 CTPRENUGVAXXEO-CMPLNLGQSA-N 213.321 2.203 0 40 BEAB CC(C)(C)[C@@H](N)CN1CCc2ccccc2C1 23069597 CVAAGXPJOVJPNL-AWEZNQCLSA-N 232.371 2.418 0 40 BEAB Cc1cccc(NC(=O)NCCn2ccnc2)c1 24367809 PSUMRCIZUARISS-UHFFFAOYSA-N 244.298 2.013 0 40 BEAB Cc1ccc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 25264900 BDJCZXGYZWNOTR-STQMWFEESA-N 247.338 2.287 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCC[C@@H](CO)C2)c1 32720115 OGSDMJTVBXNFEF-CYBMUJFWSA-N 247.338 2.148 0 40 BEAB O=C1CCN(c2cccc(C(F)(F)F)c2)C1 37239900 XWXVHYOZTWIXSX-UHFFFAOYSA-N 229.201 2.485 0 40 BEAB O=C(c1cnccn1)N1CCC[C@@H]2CCCC[C@H]21 40473449 IDIZFMNUEFVPKB-WCQYABFASA-N 245.326 2.271 0 40 BEAB CCc1ccc(CNC(=O)[C@@H]2CCCO2)s1 40535689 MVUMHBKALYHJHK-NSHDSACASA-N 239.340 2.106 0 40 BEAB COc1cc(N)cc(Br)c1N(C)C 45958863 DENKHAWPQTZTDU-UHFFFAOYSA-N 245.120 2.106 0 40 BEAB CNCc1cc(-c2cccc(C)c2)[nH]n1 50478998 ZMSFZHIVDYFFDQ-UHFFFAOYSA-N 201.273 2.105 0 40 BEAB NC1(Cc2cccc(Br)c2)CC1 54404927 NAJJFMXXLLMATA-UHFFFAOYSA-N 226.117 2.483 0 40 BEAB CC(=O)Nc1cc(C)nc2ccc(C(=O)O)cc12 57348056 FXPGCGAWAUJCOX-UHFFFAOYSA-N 244.250 2.200 0 40 BEAB N[C@@H](CC(=O)O)Cc1c(Cl)cccc1Cl 57956396 NEVHSDHUEZCVLZ-ZCFIWIBFSA-N 248.109 2.338 0 40 BEAB CCOC(=O)[C@@H]1CCc2cc(F)ccc2O1 65742662 XLTYRVHHKJREDL-NSHDSACASA-N 224.231 2.082 0 40 BEAB in-vitro O[C@H]1CCCc2[nH]nc(-c3ccccc3)c21 66055381 RMWMVRMNFLAFKH-NSHDSACASA-N 214.268 2.446 0 40 BEAB CCOC(=O)c1ccc(-c2cccnc2)[nH]1 72233347 BCHFKNCJJSQJMG-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB O=C(O)c1cnc(CCc2ccccc2)o1 74112056 NLPAPDYNKBWVFE-UHFFFAOYSA-N 217.224 2.158 0 40 BEAB Cc1ncsc1CNC(=O)NC1CCCC1 78446517 JYEGBGMZIFYPJG-UHFFFAOYSA-N 239.344 2.193 0 40 BEAB C[C@H]1OCC[C@H]1NCCSC(C)(C)C 89516553 PQDXUVZCUPHFNO-NXEZZACHSA-N 217.378 2.285 0 40 BEAB Cc1nc(N)ccc1-c1ccc2c(c1)OCCO2 91508285 JEQIRMXIGMWYOM-UHFFFAOYSA-N 242.278 2.410 0 40 BEAB Cc1cc(C(N)=O)cc(C)c1OCC(C)C 95095312 MLEZFNGDOFJSOL-UHFFFAOYSA-N 221.300 2.437 0 40 BEAB Cc1ccnc(N[C@@H]2CCC[C@H]3OCC[C@H]23)n1 95415121 HXSQRAFUYUZMIL-IJLUTSLNSA-N 233.315 2.155 0 40 BEAB COCc1n[nH]c2c1CN(Cc1cccs1)C2 96260209 HZJJSUKQYSJBPA-UHFFFAOYSA-N 249.339 2.133 0 40 BEAB CCCCSCCC(=O)N[C@H]1CCCOC1 96416458 HHTMORZKPHDORB-NSHDSACASA-N 245.388 2.205 0 40 BEAB CO[C@@H](C)CCOC(=O)c1scnc1Cl 96442901 BAFVHGJHZSXWTM-LURJTMIESA-N 249.719 2.378 0 40 BEAB CCS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 96510105 NEHLWIPUDJGCPW-QWRGUYRKSA-N 228.288 2.116 0 40 BEAB Cc1nn(CCO)c(NCCC(C)(C)C)c1C 97103964 XSMYZYVZPNKMRS-UHFFFAOYSA-N 239.363 2.340 0 40 BEAB CC(=O)OCC(F)(F)[C@H](F)C(F)(F)F 98210602 HBRIAAIICOEFEL-BYPYZUCNSA-N 224.100 2.085 0 40 BEAB O[C@H](Cn1cc(Cl)cn1)C1CCCCC1 191359347 DASXBEMUHZZXOL-LLVKDONJSA-N 228.723 2.478 0 40 BEAB O=C(O)[C@H]1Cc2cc3ccccc3nc2C1 217912983 FXFQAESYOBTPOX-JTQLQIEISA-N 213.236 2.034 0 40 BEAB Cn1nc(OC/C=C/Cl)c2cc(N)ccc21 225771093 SZVVABYYSHVAQL-GORDUTHDSA-N 237.690 2.287 0 40 BEAB O=Cc1cc(Cl)cnc1OCC1CC1 242592408 OSYUDCGABOMSRF-UHFFFAOYSA-N 211.648 2.336 0 40 BEAB Cc1nn(C)cc1NCc1cnn(C(C)C)c1C 256054859 YBVHQJXNQLOPDE-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Fc1c[nH]ccc1=NC[C@]12C[C@H]1COC21CCC1 897260539 FRNGVRXMNZGMGZ-GXFFZTMASA-N 248.301 2.014 0 40 BEAB O=Nc1cc(Br)c2nccn2c1 1083805759 ZDXUEADZNJUGQH-UHFFFAOYSA-N 226.033 2.495 0 40 BEAB Cc1ccncc1N[C@H]1CCCC[C@@H]1O 1775996307 URWFQNMMGBHTJW-JQWIXIFHSA-N 206.289 2.105 0 40 BEAB Cc1cc(N2CCN(C)CC2)nc2ccccc12 191191 FRJPYTKAMYVLFY-UHFFFAOYSA-N 241.338 2.295 0 40 BEAB C[C@@H]1CCCC[C@]12NC(=S)N(C(C)(C)C)N2 550092 QZZOYHXPHZOAIV-BXKDBHETSA-N 241.404 2.386 0 40 BEAB Cc1cc2cc3ccc(Cl)nn3c2nn1 1575850 PCTZALGUWNRQSJ-UHFFFAOYSA-N 218.647 2.239 0 40 BEAB CCOC(=O)c1ncn(C2CCCCC2)c1N 5386117 HQVPYNVVQNXJEE-UHFFFAOYSA-N 237.303 2.147 0 40 BEAB CCCCNC(=O)c1ccccc1NC(C)=O 5419838 XJDIGBNFWXNIQB-UHFFFAOYSA-N 234.299 2.175 0 40 BEAB CC[C@@H](O)[C@@H]1Sc2ccccc2N1C 5500022 ZQAWGMGAQOXRPM-KOLCDFICSA-N 209.314 2.326 0 40 BEAB C[C@H](SCc1ccc(Cl)cc1)C(N)=O 7483519 HKHSQQUGCAINBW-ZETCQYMHSA-N 229.732 2.447 0 40 BEAB Cc1cc(F)ccc1NC(=O)c1ccc(=O)[nH]c1 7725259 ZLKNZYLVLXRDQG-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB COc1ccccc1NC(=O)[C@H](C)NC(C)C 7780992 LDRQDRUDQIGOFN-JTQLQIEISA-N 236.315 2.020 0 40 BEAB COc1ccc(NC(=O)C2CCCC2)c(N)c1 8703578 DHIWAKWYEYXRDN-UHFFFAOYSA-N 234.299 2.406 0 40 BEAB Cc1ccc(O)c(C(=O)NCCC(C)C)c1 12912353 XWTOMSVPPBCLNQ-UHFFFAOYSA-N 221.300 2.477 0 40 BEAB Cc1nc2ccccc2nc1-c1nnc(N)s1 16265678 KVDMCPAQUFKHQJ-UHFFFAOYSA-N 243.295 2.039 0 40 BEAB Cc1ccn2cc(C(=O)NCCC(C)C)nc2c1 20731794 UTHIJUMYCBEERF-UHFFFAOYSA-N 245.326 2.419 0 40 BEAB CCNCc1c[nH]nc1-c1cccs1 29655007 YVHTXUWWIXXMLA-UHFFFAOYSA-N 207.302 2.248 0 40 BEAB CC(C)c1ccc(Cc2nnc(N)o2)cc1 34936068 NKPLIYIQCGQQOL-UHFFFAOYSA-N 217.272 2.366 0 40 BEAB CCNCc1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 36281149 NWEZDVJLJHUQHN-GWCFXTLKSA-N 232.327 2.391 0 40 BEAB COc1ccc(-c2c[nH]c(C(=O)O)c2)cc1 38478324 LVSAHZSJJZYROT-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB NC(=O)c1c(Cl)ccc(Cl)c1F 38529760 VWGHBQNKCZPAQG-UHFFFAOYSA-N 208.019 2.231 0 40 BEAB O=C(COCc1ccccc1)Nc1ccccn1 40016163 JCYCFJPKNKNPDM-UHFFFAOYSA-N 242.278 2.237 0 40 BEAB OCc1cccnc1OCc1ccccc1 40882704 VSONJZABLQMXIP-UHFFFAOYSA-N 215.252 2.153 0 40 BEAB in-vitro C[C@H](N)c1nc(-c2cccnc2)cs1 41059182 ROJJEBWCRGEGET-ZETCQYMHSA-N 205.286 2.225 0 40 BEAB in-vitro Cc1cc2c(=O)[nH]c(-c3ccncc3)nc2s1 41580511 XRNHKWVPPMVHTL-UHFFFAOYSA-N 243.291 2.355 0 40 BEAB CC(C)Nc1nc(C(C)C)ncc1C(=O)O 49469446 ACZRAOUKCIZULO-UHFFFAOYSA-N 223.276 2.119 0 40 BEAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c2[nH]ncc12 49479918 CUPMVDIXTJVYKA-IUCAKERBSA-N 229.283 2.466 0 40 BEAB Nc1nccc(-c2ccc(F)cc2F)n1 52812002 VDCJJQKPYOOVJY-UHFFFAOYSA-N 207.183 2.004 0 40 BEAB O=C1NCC[C@@H]1c1cccc(Br)c1 57533296 CLYILMPDEBXAEY-SECBINFHSA-N 240.100 2.053 0 40 BEAB in-vitro Cc1cnn(CCNCc2cccc(F)c2)c1 69901712 PIBHZNMQMPCXHY-UHFFFAOYSA-N 233.290 2.120 0 40 BEAB COc1c(C)cnc(CS[C@@H](C)CO)c1C 79103140 DMRQDRYAQAUBMZ-VIFPVBQESA-N 241.356 2.321 0 40 BEAB O=c1[nH]c2cccc(Br)c2s1 82046721 DUDUUPPIGMFBOY-UHFFFAOYSA-N 230.086 2.352 0 40 BEAB O=c1[nH]ccc2c(Br)ccc(F)c12 82767352 OPESYULZMXGCPX-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB CC(C)(C)OC(=O)N1CCNC2(CCCC2)C1 95628669 AOFNMALRBXRCMJ-UHFFFAOYSA-N 240.347 2.140 0 40 BEAB CC(=O)CCCC(=O)Nc1cnccc1C 96012390 MXEWYKRDNYHIES-UHFFFAOYSA-N 220.272 2.088 0 40 BEAB COC[C@@H](C)Nc1ccc(C)c(C(=O)OC)c1 97095700 DTYFLGWYLXEYTA-SNVBAGLBSA-N 237.299 2.228 0 40 BEAB C[C@H](N)C1CCN(C2Cc3ccccc3C2)CC1 97212364 AWONGSNJZJSOQC-LBPRGKRZSA-N 244.382 2.213 0 40 BEAB CCOCCN(C)CC1=Cc2ccccc2OC1 97235409 GQYOKTLDLAWDIQ-UHFFFAOYSA-N 247.338 2.431 0 40 BEAB C[C@@H]1CCC[C@@H](CC(=O)NCCCC(=O)O)C1 195541412 OGFVKKRSNMCBTB-GHMZBOCLSA-N 241.331 2.184 0 40 BEAB COc1cccnc1NC(=S)NCC(C)C 225276645 IQHUQTOGEASKPV-UHFFFAOYSA-N 239.344 2.033 0 40 BEAB Cc1cc(N(C)C)cc([C@@H]2CCCN(C)C2)n1 257300701 RVJMLTOQBUEDTH-GFCCVEGCSA-N 233.359 2.265 0 40 BEAB C[C@H]1CC2(CCC2)CN1c1ncccn1 336137727 IEECKNRINNLKRX-JTQLQIEISA-N 203.289 2.246 0 40 BEAB CCCCOCc1c(Br)cnn1C 408716260 KQKBIYVWWVGBBS-UHFFFAOYSA-N 247.136 2.499 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CC(C(F)F)C1 585383241 ZLLAFUJUYKRICJ-MRVPVSSYSA-N 215.243 2.066 0 40 BEAB COCOc1cc(F)c(C=O)cc1Cl 1083799943 DKWLKWMCJJPKPK-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB CCCn1nnnc1NCc1ccc(C)cc1 172767 HZKGKEOJIXGSHJ-UHFFFAOYSA-N 231.303 2.004 0 40 BEAB Cc1nc2cncc(Br)c2n1C 549839 YZRKYAXLQQWEQY-UHFFFAOYSA-N 226.077 2.039 0 40 BEAB C[C@H]1OC(c2ccc3c(c2)OCO3)O[C@@H]1C 1711264 DBRCQKKPPIQWBT-HTQZYQBOSA-N 222.240 2.238 0 40 BEAB Cc1cccc([C@H](O)c2ccccn2)c1O 6491286 XXCYBTOXLYUXNZ-ZDUSSCGKSA-N 215.252 2.177 0 40 BEAB Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)O)cc1 6788197 WMLNPCBEVWMWNX-LLVKDONJSA-N 249.310 2.112 0 40 BEAB Cc1ncc(C(=O)Nc2ccccc2F)c(C)n1 19936947 ANDURQXIAMKXHK-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB Nc1ccc2c(c1)NC(=O)[C@@H](c1ccccc1)O2 19951703 HJPDVYPUQVMOGQ-CYBMUJFWSA-N 240.262 2.341 0 40 BEAB O=C(O)[C@H]1CCN(Cc2cccc(Cl)c2)C1 20357911 CSUXSPUXCRBQIF-JTQLQIEISA-N 239.702 2.247 0 40 BEAB COc1cccc([C@H]2C[C@H]2C(C)=O)c1OC 20594341 GAECBCABHWULGJ-WDEREUQCSA-N 220.268 2.396 0 40 BEAB O=C(Nc1cncc(Cl)c1)C1CCC1 27933914 HTMSFTSNEMYVLM-UHFFFAOYSA-N 210.664 2.474 0 40 BEAB CCC(=O)Nc1cnn(Cc2ccccc2F)c1 28228775 PEDVMCOFSYFDBI-UHFFFAOYSA-N 247.273 2.419 0 40 BEAB Cc1cc(NC(=O)Cc2ccc(F)cc2)nn1C 28573721 FHSUUOFMNNZTCG-UHFFFAOYSA-N 247.273 2.049 0 40 BEAB OCCc1ccc(OCC(F)(F)F)cc1 34744761 QZKVHBYLYHOFOF-UHFFFAOYSA-N 220.190 2.163 0 40 BEAB CCCOc1ccc(C(=O)COC)cc1 36180610 IGALXYJCLMOLQS-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@@H]2[C@H](C)N)c1 36922585 DPZMVJPIWKFHMT-GDPRMGEGSA-N 221.300 2.155 0 40 BEAB Cc1oc(Br)cc1C(=O)O 40537998 YQROOKGRFHAYEN-UHFFFAOYSA-N 205.007 2.049 0 40 BEAB in-vitro CCNC(=O)Nc1cc(NC(=O)CC)ccc1C 48257237 OGHSLLORDUZYFM-UHFFFAOYSA-N 249.314 2.485 0 40 BEAB COc1ncccc1NC(=O)NCC1CCC1 48415081 UOVINXFEVYIQOI-UHFFFAOYSA-N 235.287 2.012 0 40 BEAB NC[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 54586840 YLAYUIMEMDLUBM-WCBMZHEXSA-N 213.227 2.350 0 40 BEAB CCO[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1C 58210410 YGRYHWRVYWFUJN-QWHCGFSZSA-N 249.354 2.467 0 40 BEAB COC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 58365043 HXSDGXAMUPIVHZ-RTXFEEFZSA-N 233.311 2.146 0 40 BEAB CC[C@@H](C)NCc1ccccc1OCC(=O)O 62716838 DKQQNZHIQVFLPT-SNVBAGLBSA-N 237.299 2.038 0 40 BEAB COCCNC(=O)C[C@H](C)C1CCCCC1 65550950 OJYSBOMJZZIINS-NSHDSACASA-N 227.348 2.356 0 40 BEAB CO[C@H](c1ccccc1)[C@@H]1CCCNC1 72207900 IMQNCYAFHAKTKT-CHWSQXEVSA-N 205.301 2.374 0 40 BEAB Cc1nc(Cl)ccc1[C@@H]1CCCN1C=O 72217887 OLGVGRBNXUPCEO-JTQLQIEISA-N 224.691 2.337 0 40 BEAB C[C@H]1CN2CCC[C@@H]2CN1Cc1cccs1 72324421 AUFZOEMMLVUAKW-NWDGAFQWSA-N 236.384 2.417 0 40 BEAB Nc1cccc(C(=O)c2ccccc2N)c1 75835494 LYSJSRSBKUIFDF-UHFFFAOYSA-N 212.252 2.082 0 40 BEAB c1cncc(-c2ccnc(C3CCNCC3)n2)c1 83339234 MADKTORQTBHZFU-UHFFFAOYSA-N 240.310 2.006 0 40 BEAB O=C(O)c1cc(Cl)c(C(F)(F)F)cn1 85436260 DHNYXJDRUJMSSC-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB NCCN[C@H]1CCCc2c1[nH]c1ccccc21 87816274 UUIZJDJMUFRKJB-ZDUSSCGKSA-N 229.327 2.094 0 40 BEAB NC1(C(=O)c2ccc(Cl)cc2)CCC1 91297602 HQKYRYNIZNVYEB-UHFFFAOYSA-N 209.676 2.404 0 40 BEAB CCC[C@@H]1C[C@H]1Nc1cn[nH]c(=O)c1Cl 95404374 YKRUPRJIPZPYDD-RNFRBKRXSA-N 227.695 2.024 0 40 BEAB COc1ccc(F)cc1C(=O)C(F)F 95916944 QQKIRZBFUUDKBO-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB Cc1ccc(COC2CC3(CNC3)C2)cc1 96509105 XPNFQSVSEVTRGB-UHFFFAOYSA-N 217.312 2.264 0 40 BEAB CCCCCCOC[C@@H]1COC(=O)O1 169797539 CSZXMBWXXIBCGP-SECBINFHSA-N 202.250 2.119 0 40 BEAB CCc1ncnc(NCC2CCOCC2)c1F 179290557 MGVIBESDZRSOIB-UHFFFAOYSA-N 239.294 2.017 0 40 BEAB O=C1Cc2cccc(OC(F)(F)F)c2N1 199565135 IJFPXNWBANVDDU-UHFFFAOYSA-N 217.146 2.080 0 40 BEAB O=C(O)[C@H]1CNc2cc(C(F)(F)F)ccc2C1 217608392 CSTIDYUOSKZPRE-SSDOTTSWSA-N 245.200 2.374 0 40 BEAB NCCNc1ccnc2c(Cl)cccc12 222678486 SBVKOEIOMRACDI-UHFFFAOYSA-N 221.691 2.259 0 40 BEAB O=C1O[C@H](c2cccnc2)Nc2ccccc21 223811958 JWNJVBPDXWUTSZ-GFCCVEGCSA-N 226.235 2.363 0 40 BEAB Cc1nc(C2(c3ccc(N)cc3)CC2)no1 225321058 QKXICQZLXVYKTH-UHFFFAOYSA-N 215.256 2.040 0 40 BEAB N[C@H]1CCC[C@H](C[C@H]2CCC[C@@H](N)C2)C1 245190617 ZZYZUFNSKAIYCJ-LPWJVIDDSA-N 210.365 2.412 0 40 BEAB NC[C@H](C[C@H](O)c1ccccc1)C(F)(F)F 256053201 QMLDBSDPWZVVKE-UWVGGRQHSA-N 233.233 2.247 0 40 BEAB Cc1cncc(O[C@@H]2CCCC[C@H]2N(C)C)n1 585652431 ZPZUKVRAWYZNCA-VXGBXAGGSA-N 235.331 2.037 0 40 BEAB COC(=O)c1c(Cl)c2sccc2[nH]c1=O 159903 XVYYSAMYSDVPNQ-UHFFFAOYSA-N 243.671 2.030 0 40 BEAB CCN(CC)C(=O)C1C[C@H]2CCC[C@H](C1)C2=O 309838 SJQNRBALVVJKLQ-GHMZBOCLSA-N 237.343 2.250 0 40 BEAB CC(C)COc1nc2ccccc2c(=O)o1 519115 YNXQYNWNMGXJRL-UHFFFAOYSA-N 219.240 2.223 0 40 BEAB biogenic CCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 1358399 MHDNNQACPPNHTM-UHFFFAOYSA-N 235.287 2.025 0 40 BEAB CN1C(c2ccncc2)=NCC12CCCCC2 1611078 QNBPXSQATURIGM-UHFFFAOYSA-N 229.327 2.477 0 40 BEAB O=c1[nH]n(-c2ccccc2)c2ccccc12 1667229 MTYIBGCJCVRBMH-UHFFFAOYSA-N 210.236 2.319 0 40 BEAB C/C(=C/Cl)CN1C(=O)c2ccccc2C1=O 1728214 JVTHFJPVAXPOPV-VURMDHGXSA-N 235.670 2.425 0 40 BEAB Nc1nc(-c2cccc3ccccc23)n[nH]1 3723241 RWDMSXRQOHSDKA-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vitro O=C(N1CCc2ccccc2C1)C(F)(F)F 6341683 DVTYJMQWZHKOTG-UHFFFAOYSA-N 229.201 2.134 0 40 BEAB Cc1noc2nc(-c3ccco3)cc(C(=O)O)c12 8155947 CDSYAVVUQVMVKQ-UHFFFAOYSA-N 244.206 2.489 0 40 BEAB CNC(=O)CCc1ncc(-c2ccccc2)o1 11151273 IROQWEHYYMGJQV-UHFFFAOYSA-N 230.267 2.020 0 40 BEAB CC(C)c1cccc2cc(C=O)c(=O)[nH]c12 11956133 HORRGNGDIIRIDF-UHFFFAOYSA-N 215.252 2.464 0 40 BEAB Cc1cccc(C(=O)N2CCO[C@H](C)C2)c1C 12927511 GHDRMTJKFRTOEF-LLVKDONJSA-N 233.311 2.164 0 40 BEAB COc1ccc(CC(=O)N2CCCC2)cc1C 13972028 IMCLIGXKXDIPAP-UHFFFAOYSA-N 233.311 2.169 0 40 BEAB Fc1ccc(Cl)c(O[C@@H]2CCNC2)c1 14632299 YCMIZKNHAYASTC-MRVPVSSYSA-N 215.655 2.220 0 40 BEAB COc1nc2c(C)cccc2cc1C=O 15019565 GWFNQQRZAIINKL-UHFFFAOYSA-N 201.225 2.364 0 40 BEAB C[n+]1ccccc1/C=C/c1ccc2c(c1)OCO2 16998601 SAMYKKNOQGZCCG-FNORWQNLSA-N 240.282 2.410 0 40 BEAB Nc1nnc(-c2ccccc2C(F)(F)F)o1 19407414 FFFGKVGSCXXDAC-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB COCCCNCCCc1ccccc1 20142841 ACXXJZXPDBKCSK-UHFFFAOYSA-N 207.317 2.245 0 40 BEAB COC(=O)/C=C(\C)Nc1ccc(F)cc1 20153990 KQHHMAQSKNPCMI-BQYQJAHWSA-N 209.220 2.314 0 40 BEAB CCC[C@@H](C)NC(=O)c1n[nH]c2ccccc12 22623813 HWVJNRFPINPLSN-SECBINFHSA-N 231.299 2.481 0 40 BEAB CC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1 23623202 LPWJYURZVCLRLY-LLVKDONJSA-N 241.356 2.151 0 40 BEAB O=C(Nc1cccc(-c2nnco2)c1)C1CC1 24744041 QODGLHGNTMKVMO-UHFFFAOYSA-N 229.239 2.085 0 40 BEAB COc1ccc(F)cc1C(=O)N1CCCCC1 32895399 URVIQWJCMMNSFA-UHFFFAOYSA-N 237.274 2.460 0 40 BEAB O=C(Nc1cn[nH]c1)c1cc2ccccc2[nH]1 35247731 NAMPVNZEFOPRRO-UHFFFAOYSA-N 226.239 2.143 0 40 BEAB Cc1ccc([C@@H](O)CNC(=O)C2CCCC2)cc1 36397311 FKQAKABHILEWAL-AWEZNQCLSA-N 247.338 2.335 0 40 BEAB Nc1cccc2c1CCCN2CC(F)F 37906028 AAOLFPPJMMZTOY-UHFFFAOYSA-N 212.243 2.287 0 40 BEAB in-vitro COC(=O)CCCN(C)Cc1ccccc1F 42436816 OOZBDPWYFSJTCI-UHFFFAOYSA-N 239.290 2.211 0 40 BEAB COC(=O)c1cc2ccccc2nc1C 44892218 BAWCSYLGYDUKMW-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB CCCCCNC(=O)c1ccc(OC)nc1 53366136 VSXNDEAFLHLDOK-UHFFFAOYSA-N 222.288 2.010 0 40 BEAB COc1ccc(CNCC(F)(F)F)cc1 57211587 BGTAFXTUDODNBT-UHFFFAOYSA-N 219.206 2.347 0 40 BEAB in-vitro CCCNC(=O)CN(CC)Cc1ccccc1 57992802 AJASFCJDPPTFTG-UHFFFAOYSA-N 234.343 2.035 0 40 BEAB CC1(C)CC(=O)N(CNc2ccccc2)C(=O)C1 59474506 SIMWDZWFQPZQQO-UHFFFAOYSA-N 246.310 2.231 0 40 BEAB O=C(O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 62720152 DYBOZKSUIBJLJN-RITPCOANSA-N 216.158 2.292 0 40 BEAB in-vitro CNc1ccc([C@@H](O)c2ccccc2)cn1 72225109 AOVLNSRJRNCEGA-ZDUSSCGKSA-N 214.268 2.205 0 40 BEAB Cc1cc(O)cc([C@@H]2CCN(C(C)C)C2)n1 72383189 MZXVPKOHPVEWKP-LLVKDONJSA-N 220.316 2.293 0 40 BEAB CCNC(=O)N(C)[C@H](c1cccnc1)C(C)C 78403016 LNLQAYXESCOTBZ-LBPRGKRZSA-N 235.331 2.440 0 40 BEAB Cc1n[nH]c2nc(Br)ccc12 82372926 MPDNSYHSKBZFCH-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CC(=O)c1ccc(O[C@@H]2CCOC2)c(F)c1 82453947 ZKWUERXMPBWUDD-SNVBAGLBSA-N 224.231 2.196 0 40 BEAB Cc1ccc2oc(NC3(CO)CC3)nc2c1 89665673 ZBDZCGZOEVFJNN-UHFFFAOYSA-N 218.256 2.073 0 40 BEAB Cc1cnn(Cc2ccn(C(C)C)n2)c1 89702520 QWRDXDVAZQVNGR-UHFFFAOYSA-N 204.277 2.017 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(F)c(F)c1 95731099 XQDBOYUXKYDVHA-UHFFFAOYSA-N 246.234 2.147 0 40 BEAB Brc1cccc2c1CCCNC2 95829642 SVOWPSQLEGLWMT-UHFFFAOYSA-N 226.117 2.485 0 40 BEAB C[C@]12C[C@@H](C(F)(F)F)N[C@H]1CCCCC2=O 95951595 UWCPMFUPOJQSHK-NRPADANISA-N 235.249 2.429 0 40 BEAB CCOCC(=O)N(C)c1ccc(F)c(Cl)c1 95989016 XAGHEMPSIWFBMR-UHFFFAOYSA-N 245.681 2.478 0 40 BEAB CC[C@@H](COc1ccccc1)N[C@@H]1CCOC1 96477661 JYQVRWQRDMISPY-QWHCGFSZSA-N 235.327 2.223 0 40 BEAB CC(=O)NC12C[C@@H]3C[C@H](CC(C)(C3)C1)C2 100069806 SANVSQCVSVDXSG-OKZRHMCRSA-N 207.317 2.481 0 40 BEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCC1 101674380 RDILLAQQPURFJL-JLLWLGSASA-N 207.317 2.481 0 40 BEAB CCC(=O)n1cc(C(=O)OC)c2ccccc21 144793523 PERJUKPHKCXURL-UHFFFAOYSA-N 231.251 2.478 0 40 BEAB Nc1ccc(C(F)(F)C(F)(F)F)cn1 144834283 ZNOFUOBXHSKUEE-UHFFFAOYSA-N 212.121 2.318 0 40 BEAB CC(=O)c1c(C)cccc1NC(=O)[C@H]1CCCO1 157988040 GLUYENRKFKSDDU-GFCCVEGCSA-N 247.294 2.315 0 40 BEAB CNCc1cccn1-c1ccc(F)cc1 223683482 PPPAVSAHRGIUHY-UHFFFAOYSA-N 204.248 2.336 0 40 BEAB CN1[C@H]2CC[C@H](C[C@H]3CCCCN3)[C@H]1CC2 242543511 KCZUADBBDADOPR-YIYPIFLZSA-N 222.376 2.391 0 40 BEAB FC(F)(F)c1c[nH]ccc1=NC1CSC1 882625406 HWKROKLQKGXPLR-UHFFFAOYSA-N 234.246 2.050 0 40 BEAB CCc1cnc(N2CCC(F)(F)CC2)nc1 1776008742 OKTBUNXDHMPCAT-UHFFFAOYSA-N 227.258 2.275 0 40 BEAB Fc1ccc(/C=C/c2ccnc3ncnn23)cc1 4073153 RLUJXPKHISIJOX-ZZXKWVIFSA-N 240.241 2.434 0 40 BEAB CCc1ccc(Cn2nccc2N)cc1 4218433 VVHWFWMASNZCSA-UHFFFAOYSA-N 201.273 2.076 0 40 BEAB COc1ccc(CCNC(C)C)cc1OC 4342471 RNZVBWPKNUONBM-UHFFFAOYSA-N 223.316 2.244 0 40 BEAB in-vitro CCC[C@H](O)CNCc1ccc2ncccc2c1 5422059 KURJUJBBDDPEKM-AWEZNQCLSA-N 244.338 2.485 0 40 BEAB O=C(Nc1nc2c(s1)CCC2)c1ccco1 6526923 ANIUCQNTOMIRFM-UHFFFAOYSA-N 234.280 2.477 0 40 BEAB Cc1cc(C)n(-c2ccc(C(=O)N(C)C)cc2)n1 8491361 HTGIVEDWOXFFMW-UHFFFAOYSA-N 243.310 2.191 0 40 BEAB CCCC[C@@H](C)n1nc(O)c2c(C)cc(=O)[nH]c21 9359787 IFSZEJZEMKAYGZ-SECBINFHSA-N 249.314 2.490 0 40 BEAB COc1ccc(/C=C2\C=CC(=O)O2)cc1 12341292 IVMVTSFHCWLPGI-DHZHZOJOSA-N 202.209 2.149 0 40 BEAB COc1cccc(CC(=O)Nc2cc(C)on2)c1 12793621 VELLYKZPSWGUSX-UHFFFAOYSA-N 246.266 2.173 0 40 BEAB NC(=S)COc1ccc(Br)cc1 19442613 FFZCIKFWHCIFCD-UHFFFAOYSA-N 246.129 2.114 0 40 BEAB O=C(O)c1ccc(-c2ccnc(Cl)n2)cc1 20357713 PIFZVVITMGNVMA-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB COc1cccc([C@@H]2C[C@H]2[C@@H](C)N)c1OC 20594440 NRMIRCUHNDPXEF-MIMYLULJSA-N 221.300 2.155 0 40 BEAB Cc1ccc(Br)cc1NN 21303113 PVZALDBFJKFGIY-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@H]1c1ccccc1 22173175 PYLHKIJKHJTIMN-AEGPPILISA-N 246.306 2.089 0 40 BEAB Cc1cc(C)c([C@H](C)NS(C)(=O)=O)cc1C 22540324 XZARZVYUGZDWOW-NSHDSACASA-N 241.356 2.222 0 40 BEAB Cc1nn(-c2ccccc2F)c(C)c1N 32010431 BCCPNLJBTZZTET-UHFFFAOYSA-N 205.236 2.210 0 40 BEAB in-vitro CCN(CC(=O)O)Cc1cccc(Cl)c1 32015463 NALHZZCFOPDVIF-UHFFFAOYSA-N 227.691 2.247 0 40 BEAB CNCc1cc(OC)ccc1Br 34977641 BVRXKKMRPQJYBV-UHFFFAOYSA-N 230.105 2.177 0 40 BEAB in-vitro CCNC(=O)Nc1ccc(Cl)c(C(=O)O)c1 37484033 ROYOWXNQUTZXDI-UHFFFAOYSA-N 242.662 2.180 0 40 BEAB COc1ccc(C2CCNCC2)c(F)c1 38539193 VYXQKHNNOMKRCM-UHFFFAOYSA-N 209.264 2.301 0 40 BEAB CC(C)(C)OC(=O)c1ccc(N)c(F)c1 38540775 FYHPHTHRJPRDSU-UHFFFAOYSA-N 211.236 2.363 0 40 BEAB in-vitro CCOCCCNC(=O)c1sccc1C 40160989 IYEAHOZYJSFUTK-UHFFFAOYSA-N 227.329 2.213 0 40 BEAB O=C(OCc1nc2ccccc2[nH]1)C1CCC1 42368883 AIYWSRGLRNEMBB-UHFFFAOYSA-N 230.267 2.406 0 40 BEAB CC(C)C(=O)Nc1ccccc1N1CCCC1=O 45480177 ZGWUJQYGJHCLLB-UHFFFAOYSA-N 246.310 2.408 0 40 BEAB CCN(CC)c1ccc(C(=O)NC2CC2)c(O)c1 53759894 HPNQNLNHKXAZMU-UHFFFAOYSA-N 248.326 2.131 0 40 BEAB COC(=O)c1ccoc1CN1CCC[C@@H](C)C1 55255699 SLDUREQHIMSOKN-SNVBAGLBSA-N 237.299 2.298 0 40 BEAB CC(=O)[C@H]1C[C@H](c2ccccc2F)OC1=O 57514560 KGMZWPTZZONMOU-MWLCHTKSSA-N 222.215 2.019 0 40 BEAB CC(C)N(C(=O)c1ccco1)c1cnn(C)c1 58406248 JUQIMPYGPNCIJY-UHFFFAOYSA-N 233.271 2.068 0 40 BEAB Cc1cc(C)c(-n2c(=O)[nH][nH]c2=S)c(C)c1 61591573 YNFHVZUFAZTACU-UHFFFAOYSA-N 235.312 2.148 0 40 BEAB C1CCC(c2noc([C@H]3CCNC3)n2)CC1 62119631 YDEMCTMALQKFEI-JTQLQIEISA-N 221.304 2.194 0 40 BEAB Cc1nn(C)cc1C(=O)C(Cl)(Cl)Cl 66324296 PHPMBUORXDCXOL-UHFFFAOYSA-N 241.505 2.281 0 40 BEAB C[C@](NC1CC1)(C(=O)O)C1CCCCC1 70953468 AARSWQPCCKWKPZ-GFCCVEGCSA-N 211.305 2.162 0 40 BEAB biogenic C[C@H]1CCCCN1C(=O)NCC[C@H]1CCCO1 71925627 JDBYKZAQKFGNDU-NWDGAFQWSA-N 240.347 2.140 0 40 BEAB CN1CCC(NCC2(c3ccccc3)CC2)CC1 75093159 LDTGDYBOQYODHT-UHFFFAOYSA-N 244.382 2.402 0 40 BEAB Cc1cc(C(=O)Nc2cnoc2)c(C)o1 75170799 ILSCLOKYXSMKNA-UHFFFAOYSA-N 206.201 2.137 0 40 BEAB C[C@@H]1CN(CC/C=C/c2ccccc2)CCN1 79439951 MPPZBOYQAFNTCD-VZUFXWRPSA-N 230.355 2.384 0 40 BEAB Cc1ccc(N(C)[C@H](C)C(=O)O)c(C)c1 82259500 UCJGPFSJZWZUGB-SNVBAGLBSA-N 207.273 2.213 0 40 BEAB Cc1nc(CC(F)(F)F)sc1CC(=O)O 82761240 PQPLHIOSJNHXGJ-UHFFFAOYSA-N 239.218 2.183 0 40 BEAB CC[C@H](N)c1cncc(Br)c1 84191759 UPGPOIOZNZTLTF-QMMMGPOBSA-N 215.094 2.254 0 40 BEAB CC(C)OC(=O)[C@@H](C)NC(=O)C1CCCCC1 84621832 LYGDYPMGPREPQR-SNVBAGLBSA-N 241.331 2.023 0 40 BEAB CCOC(=O)c1cccc2[nH]c(OCC)nc12 89195055 HEDXBGAGAWZJPJ-UHFFFAOYSA-N 234.255 2.138 0 40 BEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1Cc1ccccc1 95483163 KCSZGLKFTDCMAL-BETUJISGSA-N 243.306 2.362 0 40 BEAB CN(C)c1cccc(CN2CCCC[C@@H]2CN)c1 96523578 OLWAAGUGJVBJQX-OAHLLOKOSA-N 247.386 2.066 0 40 BEAB C[C@H]1CC[C@@H]1COc1ncccc1C(=O)O 96526360 VJBNKAQYQMCIFQ-DTWKUNHWSA-N 221.256 2.205 0 40 BEAB NC[C@H]1CCOc2ccc(Br)cc21 96987609 SXWOKBKCYYPNFO-SSDOTTSWSA-N 242.116 2.274 0 40 BEAB O=C(CC(=O)C(F)(F)F)Nc1ccc(F)cc1 100645654 DKZOYNULKPAGIK-UHFFFAOYSA-N 249.163 2.286 0 40 BEAB CSc1cccc(-n2cc(C(C)(C)O)nn2)c1 132562995 GIVYYFZQQXJAOP-UHFFFAOYSA-N 249.339 2.217 0 40 BEAB CC(=O)OC/C=C(\C)CC[C@H]1N(C)C1(C)C 169804283 IKXGGDPTPVSXQR-RONOAKEHSA-N 225.332 2.369 0 40 BEAB CC1(NC(=O)NCCCc2ccccn2)CCC1 179631814 CLZAWHAQHNISQG-UHFFFAOYSA-N 247.342 2.256 0 40 BEAB CC(C)NCc1cccc2c1CCN2C 217518015 RAMRDGWKILKVAS-UHFFFAOYSA-N 204.317 2.177 0 40 BEAB CC(C)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224085129 ZUYPESQMYNAILG-RBSFLKMASA-N 234.387 2.225 0 40 BEAB O[C@@H](c1cnc2c(c1)CCCC2)C1CC1 242701407 WDDQESYAWGBJAS-CYBMUJFWSA-N 203.285 2.404 0 40 BEAB Cc1cc(N(C)C)cc([C@H]2CCCN(C)C2)n1 257300702 RVJMLTOQBUEDTH-LBPRGKRZSA-N 233.359 2.265 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccc(F)cc1F 575361860 OIIAOJKODVSYSJ-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB CC1(C)CC(=O)c2cccc(C(=O)O)c2O1 1772714815 XVNPBUKOAHJMLG-UHFFFAOYSA-N 220.224 2.129 0 40 BEAB Cc1cc(OCc2ccccc2)cc(=N)[nH]1 2362801517 LTPIGLWTWMFRNC-UHFFFAOYSA-N 214.268 2.382 0 40 BEAB Cc1cc2ncc(-c3ccccc3)c(N)n2n1 208698 FYXRTBAECZWRIR-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB COc1cc2nncc(SC)c2cc1OC 1671328 VNEJBDYIGYWEPU-UHFFFAOYSA-N 236.296 2.369 0 40 BEAB CCCC(CCC)[C@H](C(=O)O)C(=O)OCC 2570354 SMGMZCACYMLWFD-SNVBAGLBSA-N 230.304 2.467 0 40 BEAB O=C(Sc1ccccc1)c1cnccn1 2580774 SHGTVHYSQCVCTF-UHFFFAOYSA-N 216.265 2.409 0 40 BEAB in-vitro CC(C)NC(=O)c1cc(-c2ccco2)on1 2602345 RAUJTOYKEOTPQC-UHFFFAOYSA-N 220.228 2.073 0 40 BEAB O=C(O)CCCNCc1ccc(Cl)cc1 3026287 WWKRYTDDSNGEAB-UHFFFAOYSA-N 227.691 2.294 0 40 BEAB in-vitro O=C(COc1ccccc1)Nc1nccs1 3958652 QNBZNRVJFQWVPB-UHFFFAOYSA-N 234.280 2.161 0 40 BEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 4291312 YWWJNWUVNHXUKS-CAHLUQPWSA-N 219.210 2.499 0 40 BEAB CC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1 5006646 NELXOQUUMAAZSB-UHFFFAOYSA-N 244.250 2.438 0 40 BEAB O=C(NCc1ccco1)c1ccc[nH]c1=S 9745675 APLLLVZRQXOUPX-UHFFFAOYSA-N 234.280 2.267 0 40 BEAB Cc1cs/c(=N\c2ccccc2)n1CCCO 10187310 DEDDWXLNLCKODB-YPKPFQOOSA-N 248.351 2.473 0 40 BEAB CN(C)CCNc1nc2ccccc2s1 12769457 ZEOPEVDCXWALAX-UHFFFAOYSA-N 221.329 2.270 0 40 BEAB in-vitro Cc1nn(C)c(C)c1NC(=O)c1ccccc1F 12983366 MKFFPBKCLOMTSE-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CCCN[C@@H](C)c1ccc2c(c1)OCO2 19440223 ITMRMBILQKXMAL-VIFPVBQESA-N 207.273 2.476 0 40 BEAB Cc1ccc(NC(=O)[C@@H](N)C(C)C)c(F)c1 20372553 QTKPVFFJKQSPKV-NSHDSACASA-N 224.279 2.056 0 40 BEAB O=C(NCCc1ccccc1)NC1CCCC1 30987400 OFGUUFQNOZBOTH-UHFFFAOYSA-N 232.327 2.471 0 40 BEAB COc1ccc(CN)c(OC(F)(F)F)c1 36533753 OELQVMJFQLWLKJ-UHFFFAOYSA-N 221.178 2.053 0 40 BEAB Cc1nc2c(s1)CN(C(=O)C(C)(C)C)CC2 41194324 ZBVBZNCELQXRSQ-UHFFFAOYSA-N 238.356 2.382 0 40 BEAB CC(=O)N1CCC[C@@H]1Cc1ccccc1 42026307 KABXUVJKLGJJGA-CYBMUJFWSA-N 203.285 2.240 0 40 BEAB COc1ncccc1NC(=O)NCc1ccco1 48230702 BFKMHLACAQNYGK-UHFFFAOYSA-N 247.254 2.005 0 40 BEAB CC(C)CN(C)C(=O)Cc1n[nH]c2ccccc12 50561813 AGTYXXJXNZSXEC-UHFFFAOYSA-N 245.326 2.220 0 40 BEAB Cn1ccc2ccn(Cc3ccccc3)c(=O)c21 65224692 GJZSTYNYLSMOAE-UHFFFAOYSA-N 238.290 2.388 0 40 BEAB Cc1ccc(-c2nnc3ccc(S)nn23)cc1 70635262 RJICKZQTFDKDJN-UHFFFAOYSA-N 242.307 2.388 0 40 BEAB Cn1cc(CN2CCC[C@@H]2c2ccccn2)cn1 72187781 MWSODTMRJLYVLQ-CQSZACIVSA-N 242.326 2.152 0 40 BEAB Clc1cccc(Cl)c1CN[C@H]1CCNC1 72203655 MEFBIHWGLZLLPZ-QMMMGPOBSA-N 245.153 2.445 0 40 BEAB O=CN1CCC[C@@H]1c1cccnc1Cl 72211487 BYPTVTXUXUDXBR-SECBINFHSA-N 210.664 2.028 0 40 BEAB Cc1ccc(CN2C[C@@H]3CCCN3C[C@H]2C)o1 72324612 UYQGLBTWCVURPF-YPMHNXCESA-N 234.343 2.257 0 40 BEAB COc1ccccc1-n1ccc(C(=O)O)c1C 75420490 RBDYXNPPIQZPQK-UHFFFAOYSA-N 231.251 2.493 0 40 BEAB CCCCC[C@H](C)NC(=O)CN(C)CC 84743031 PHSPGXVJPWQHRM-NSHDSACASA-N 214.353 2.023 0 40 BEAB CC(C)[C@H](C)Sc1ncnc2[nH]ncc12 89791246 XZHDASDCTQVECR-ZETCQYMHSA-N 222.317 2.490 0 40 BEAB O=C(O)Cc1ccc(OC(F)F)c(F)c1 91692996 VHFMSYGWFHDRBD-UHFFFAOYSA-N 220.146 2.054 0 40 BEAB in-vitro Ic1cc2ccncc2[nH]1 95920050 WSBRJCFHGLRDAF-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB O=C1CCOc2cc(Br)ccc2C1 96877366 UZMHNEYQGFHYHI-UHFFFAOYSA-N 241.084 2.343 0 40 BEAB C[C@@H](Nc1cnccn1)[C@H](O)c1ccc(F)cc1 97104617 FVCZAOIXBOXWPY-RNCFNFMXSA-N 247.273 2.150 0 40 BEAB Cc1ccc(NC(=O)Nc2c(C)n[nH]c2C)nc1 97107632 QFJKEIWSUXBTIJ-UHFFFAOYSA-N 245.286 2.374 0 40 BEAB c1ccc(-c2nsc(-n3ccnc3)n2)cc1 97163527 VQHUOCAOJBWDBK-UHFFFAOYSA-N 228.280 2.391 0 40 BEAB CCOC(=O)[C@@H]1CS[C@@H](C(CC)CC)N1 98072909 YZFDGJYGTWXSHY-UWVGGRQHSA-N 231.361 2.017 0 40 BEAB C[C@H](NC(=O)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100212962 XUKIOVWVGJVCDC-SPFNVWMYSA-N 207.317 2.337 0 40 BEAB O=C1OC2(c3ccccc3)[C@@H]3CCC[C@@H]2C13 100586108 PTVIARLALXPYHC-IBQNZTRDSA-N 214.264 2.485 0 40 BEAB CCC(=O)NCCCN1CCCC[C@@H]1CC 225258351 LIICHGVIIAHLRV-LBPRGKRZSA-N 226.364 2.167 0 40 BEAB Cc1cc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)[nH]n1 247887561 DTWHVABTAVGVOX-SDDRHHMPSA-N 247.342 2.161 0 40 BEAB Cc1cc(Cl)ccc1NCc1ncnn1C 267399590 OCBZCSNBFSFHIB-UHFFFAOYSA-N 236.706 2.389 0 40 BEAB CC(=O)NCCSC1CCCCC1 308137436 GDOLZWJCFPHLNE-UHFFFAOYSA-N 201.335 2.188 0 40 BEAB Cc1cncc(OCC2CC(F)(F)C2)n1 585651931 SBFOZSQXPQCWME-UHFFFAOYSA-N 214.215 2.209 0 40 BEAB CN1CC[C@H](Oc2cccc(C(F)(F)F)n2)C1 585655167 VWZPWUYBYRPVQH-QMMMGPOBSA-N 246.232 2.183 0 40 BEAB Cc1cccnc1O[C@@H]1CCC[C@@H]1N(C)C 585655169 VXTJIUDNLSUORL-NWDGAFQWSA-N 220.316 2.252 0 40 BEAB CC[C@@]1(C)NC(=O)N(c2csc(C)c2)C1=O 630538401 KROLOGZQELTQFG-LLVKDONJSA-N 238.312 2.281 0 40 BEAB Cc1cc(=O)c2c(o1)[C@@H](CC(C)C)CC(=O)O2 1547139314 MXRDWGIUZQHQDS-VIFPVBQESA-N 236.267 2.387 0 40 BEAB biogenic O=C(O)c1c(F)cc(OCCF)cc1F 1776010735 MJZXIYITXMDFCK-UHFFFAOYSA-N 220.146 2.011 0 40 BEAB O=C(NCC1CC1)Nc1ccccc1F 91224 HLBZUODTAVWMGN-UHFFFAOYSA-N 208.236 2.357 0 40 BEAB CCOc1nc(C)ccc1-c1noc(C)n1 498720 LMXYPVUHASODLK-UHFFFAOYSA-N 219.244 2.147 0 40 BEAB COn1c(-c2ccccc2)nc2ncccc21 1396600 AVZBIBUNRUCCQS-UHFFFAOYSA-N 225.251 2.157 0 40 BEAB COC(=O)[C@H](O)c1ccc(C(C)C)cc1 1621058 HDNMOOPTGUTCBA-LLVKDONJSA-N 208.257 2.016 0 40 BEAB CCCNC(=O)c1cc(Cl)ccc1O 1689015 YHNCXEIAPYBIBR-UHFFFAOYSA-N 213.664 2.185 0 40 BEAB CCC[C@@]1(c2ccccc2)OC[C@H](CO)O1 1696800 WTRULDHVZHPDHC-QWHCGFSZSA-N 222.284 2.047 0 40 BEAB O=CC(=O)c1ccc(N2CCCCC2)cc1 4204393 HDMZBJYHHWVFQO-UHFFFAOYSA-N 217.268 2.059 0 40 BEAB Cc1cc(C(=O)NCc2ccco2)c(C)n1C 8052058 HLFUSETZMXJYDL-UHFFFAOYSA-N 232.283 2.165 0 40 BEAB COC(=O)c1cc2ccc(F)cc2n1C 8417057 QASNBMUHZSKGTH-UHFFFAOYSA-N 207.204 2.104 0 40 BEAB Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 11847709 NNOLELXTLALXFI-UHFFFAOYSA-N 242.278 2.455 0 40 BEAB COCCNc1nc2ccccc2s1 12505671 UZGOCQSPJCBUKF-UHFFFAOYSA-N 208.286 2.355 0 40 BEAB in-vitro COCCn1c(=S)[nH]c2ccccc21 13143225 GJGGNVTXYUALAR-UHFFFAOYSA-N 208.286 2.345 0 40 BEAB in-vitro CC[C@H]1CCc2c(sc(N)c2C(=O)OC)N1 15020967 DFWUXLAMAXEFEJ-LURJTMIESA-N 240.328 2.254 0 40 BEAB NCCC1CCN(Cc2cccs2)CC1 15424000 SHKCEQQLSLOAJX-UHFFFAOYSA-N 224.373 2.309 0 40 BEAB COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1 16971690 CHIYLSFVNLCDBQ-UHFFFAOYSA-N 234.280 2.108 0 40 BEAB COc1ccc([C@H]2CN[C@H]3CCCC[C@@H]3N2)cc1 29786575 ULTNYLBOBQQJAL-SOUVJXGZSA-N 246.354 2.240 0 40 BEAB COc1ccc(C(C)=O)cc1Cn1cccn1 37315225 HCJKTUBHEGVTAX-UHFFFAOYSA-N 230.267 2.143 0 40 BEAB in-vitro Cc1ccc(C)c(CN2C(=O)NC(C)(C)C2=O)c1 39583863 BNMGUKPJARJRSL-UHFFFAOYSA-N 246.310 2.134 0 40 BEAB Nc1nc(CSc2ccc(Cl)cc2)n[nH]1 40163929 AJHLQGNJFLLWBV-UHFFFAOYSA-N 240.719 2.333 0 40 BEAB CC(C)NC(=O)CCc1ccc(F)c(F)c1 40505682 XRCCLINYCHFHNH-UHFFFAOYSA-N 227.254 2.422 0 40 BEAB Brc1ccc(-n2ccnc2)nc1 42388715 VDNCHISWKASSIB-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB in-vitro CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 42646655 SXQNVNWCMYIIKR-UHFFFAOYSA-N 248.326 2.059 0 40 BEAB CCOC(=O)c1ccc(-c2noc(CC)n2)cc1 42684346 RXBBQPDZTKGQBD-UHFFFAOYSA-N 246.266 2.476 0 40 BEAB O=C(O)c1c[nH]c2nc(Br)ccc12 44712807 RLWGIBOLTNFDFT-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H]1CC=CCC1 46994931 DVGYUQWKTUCNEW-MJBXVCDLSA-N 248.370 2.086 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1 47843743 RYAKMQPZBGISAT-WDEREUQCSA-N 240.347 2.138 0 40 BEAB in-vitro CC[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 49333960 LCYOLFHZHONPME-SNVBAGLBSA-N 247.747 2.340 0 40 BEAB CC[C@@H](C)C(=O)N(CCO)Cc1ccccc1 55470299 XNKGXJIQZQDYSW-GFCCVEGCSA-N 235.327 2.054 0 40 BEAB CC(C)C(=O)NCCCN(C)C1CCCCC1 58357222 YBIAZUQKWKYYLA-UHFFFAOYSA-N 240.391 2.413 0 40 BEAB NNc1ccnc2cc(OC(F)(F)F)ccc12 58573993 IKTKPCVVXMOSOS-UHFFFAOYSA-N 243.188 2.419 0 40 BEAB CC(C)C[C@H]1NC(=O)c2ccccc2N1 61714951 SDHMYLCDQYWQQE-LLVKDONJSA-N 204.273 2.214 0 40 BEAB biogenic CCSc1ncc(CNCc2ccco2)cn1 62717315 CLJBRUWMIXMREV-UHFFFAOYSA-N 249.339 2.471 0 40 BEAB c1ccc(N2CCC(n3ccnc3)CC2)nc1 71899531 KINASOCGIKTNRU-UHFFFAOYSA-N 228.299 2.120 0 40 BEAB Nc1nccc([C@H]2CCCN2C2CCCC2)n1 72356810 MHNAKIKPBDEVJU-GFCCVEGCSA-N 232.331 2.138 0 40 BEAB CC(=O)c1scnc1Br 82379235 CFQYIIOBFFFTLJ-UHFFFAOYSA-N 206.064 2.108 0 40 BEAB CNCc1c(C)n(C)c2ccc(OC)cc12 82597246 YPVZDUCLXLPFKL-UHFFFAOYSA-N 218.300 2.215 0 40 BEAB CC(C)n1cnc2c(C(=O)O)cccc21 83254265 STXPNSPVZQVSMN-UHFFFAOYSA-N 204.229 2.315 0 40 BEAB C[C@H](N)COCc1ccccc1OC(F)F 89262708 DZKLATWERPXHSH-QMMMGPOBSA-N 231.242 2.152 0 40 BEAB O=Cc1cccc(F)c1N1CCC(F)(F)C1 95081223 ZLBCJQABMUEMLP-UHFFFAOYSA-N 229.201 2.484 0 40 BEAB O=C(Nc1ccc(OCCO)cc1)C1=CCCC1 95447854 UFUQDAFOPJIUCX-UHFFFAOYSA-N 247.294 2.107 0 40 BEAB CC(C)Cc1n[nH]c([C@@H](N)c2ccc(F)cc2)n1 95533341 CUOPOOKPMSQHTL-LBPRGKRZSA-N 248.305 2.190 0 40 BEAB COc1cccc(C(=O)O)c1OC(F)(F)F 95611627 XJHMXXCVILXPSF-UHFFFAOYSA-N 236.145 2.292 0 40 BEAB Cc1nc(COC(=O)[C@H]2C[C@H]2C)sc1C 96442727 QJBXIPPMUWFIFT-MUWHJKNJSA-N 225.313 2.459 0 40 BEAB CC[C@H](C)[C@@H](C)NCC[C@@H]1CCCN1C 97109856 AFKDTYBFHJPVJE-XQQFMLRXSA-N 212.381 2.495 0 40 BEAB O=C1C[C@H]2CCC[C@@H](c3ccccc3)[C@]2(O)O1 102804338 ZMWQOEWNVDTTKC-MBNYWOFBSA-N 232.279 2.206 0 40 BEAB OC1C[C@@H]2CC[C@H](C1)N2Cc1cccc(F)c1 107927527 KCKDAZOIFYNCGM-PBWFPOADSA-N 235.302 2.313 0 40 BEAB CCc1ccc(C=O)n1-c1ccccn1 225302234 SXZFHZAJKUZDKJ-UHFFFAOYSA-N 200.241 2.247 0 40 BEAB NCc1ccc2c(c1)C(=O)c1ccccc1-2 225750131 DLLIMPJSEVPEBP-UHFFFAOYSA-N 209.248 2.357 0 40 BEAB CC(C)CNCc1ccnn1CC(F)(F)F 256051109 HTHPELHMLSDMDY-UHFFFAOYSA-N 235.253 2.191 0 40 BEAB CCCCCNCc1ccn(CCF)n1 256051290 INVZKJNZMXEKHJ-UHFFFAOYSA-N 213.300 2.132 0 40 BEAB CC[C@@H](C)C(=O)N[C@H]1CSC1(C)C 306226391 FYXUQIGDIQFUQN-SFYZADRCSA-N 201.335 2.043 0 40 BEAB Cc1cc(C(=O)Nc2cccnc2)c(C)n1C 334321675 IEWZBBYMFRNGFZ-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB FC(F)(F)c1ccnc(OCC2CC2)n1 565715671 KNQJSADAZJFSKV-UHFFFAOYSA-N 218.178 2.284 0 40 BEAB CC(C)(C)OC(=O)NC12CCCC(CN)(C1)C2 575623970 CNVRDMLGZPCSSQ-UHFFFAOYSA-N 240.347 2.173 0 40 BEAB Cc1cccc(O[C@@H]2CCC[C@@H]2N(C)C)n1 585654713 KSPFPICFCODTRU-NWDGAFQWSA-N 220.316 2.252 0 40 BEAB CCOC(=O)c1ccsc1-c1n[nH]c(C)n1 2362803682 XCWWXEOWIIMQBI-UHFFFAOYSA-N 237.284 2.018 0 40 BEAB COc1ccccc1CC(=O)N1CCC[C@H](C)C1 121850 GGZYKOKSGPDALA-LBPRGKRZSA-N 247.338 2.496 0 40 BEAB C=C(C)CN1C(=O)C(=C(C#N)C#N)c2ccccc21 1320739 RJZUYZHLSOKTTO-UHFFFAOYSA-N 249.273 2.410 0 40 BEAB CN(Cc1ccccc1)Cn1ncn(C)c1=S 3258000 KAGXRWFHLZMNOP-UHFFFAOYSA-N 248.355 2.041 0 40 BEAB CC[C@@H](C(=O)O)C1CCC(OC)CC1 3845063 AWVIHLOGDRPTFM-UDNWOFFPSA-N 200.278 2.302 0 40 BEAB biogenic CCCN1C(=O)c2ccccc2[C@H]1OC 4599596 JJVHSJSOZWDQMJ-GFCCVEGCSA-N 205.257 2.197 0 40 BEAB CC(=O)Nc1ccc(SC(=O)N(C)C)cc1 5064786 DXTWPJONCJWDHY-UHFFFAOYSA-N 238.312 2.419 0 40 BEAB O=CC(=O)c1cccc(C(F)(F)F)c1 5240933 KSLRFRNLMJHNLZ-UHFFFAOYSA-N 202.131 2.087 0 40 BEAB CC(C)CNC(=O)COc1ccccc1Cl 5481743 IWMMOZZJYSPHRM-UHFFFAOYSA-N 241.718 2.491 0 40 BEAB CCCCNC(=S)Nc1ccccc1N 5499149 LWNSBMVRHNADIY-UHFFFAOYSA-N 223.345 2.355 0 40 BEAB COc1ccc(N)cc1OCc1cccnc1 20283612 CDQBVEVEFUNMRD-UHFFFAOYSA-N 230.267 2.251 0 40 BEAB in-vitro CCCN1CCO[C@H](c2cccc(O)c2)C1 26822913 WYEGTIGJSHGEID-ZDUSSCGKSA-N 221.300 2.176 0 40 BEAB in-vivo COCc1c(C(N)=O)sc2cccc(F)c12 32820417 MALHFFYMFHZWEI-UHFFFAOYSA-N 239.271 2.286 0 40 BEAB in-vitro C=CC(=O)Nc1ccc(N2CCCC2)cc1 37013799 VYPRAUMTVDGXSO-UHFFFAOYSA-N 216.284 2.411 0 40 BEAB O=C(NCC1CCCC1)c1ccc(Cl)nn1 37485576 HPLWTIIMEWLKSY-UHFFFAOYSA-N 239.706 2.050 0 40 BEAB c1ccc2c(NC[C@H]3CCOC3)ncnc2c1 37988181 REAXYJADKQFNFB-SNVBAGLBSA-N 229.283 2.078 0 40 BEAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CN1 39477435 PDTLMKLERGEENQ-QMMMGPOBSA-N 229.201 2.309 0 40 BEAB CCOC(=O)C(F)(F)c1ccc(C)cn1 40448012 GLDYXVMCPYSRND-UHFFFAOYSA-N 215.199 2.045 0 40 BEAB C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2O1 40466497 HSZLHXYJYTUWHE-FZMZJTMJSA-N 245.322 2.391 0 40 BEAB CCOC(=O)[C@H]([C@@H](C)CC)n1cccc1C=O 40488286 BRPXRASNNBGAHX-JQWIXIFHSA-N 237.299 2.451 0 40 BEAB O=C(CC(F)(F)F)NCCc1ccsc1 40509498 ALRAENVQRZPHJM-UHFFFAOYSA-N 237.246 2.359 0 40 BEAB C[C@H]1CC(O)C[C@@H](C)N1Cc1ccccc1 40539457 LDYXEQLMMZDMQB-ONXXMXGDSA-N 219.328 2.420 0 40 BEAB Cc1cc(CNCc2ccccc2)n(C)n1 41050864 SZQNIXKLQQYAGA-UHFFFAOYSA-N 215.300 2.018 0 40 BEAB CCOC(=O)c1cc(N)ccc1N1CCCCC1 41082150 OIQXPCSQXKKDNU-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB Fc1ccc(OCCC2OCCO2)cc1F 41252169 HRHNUKPMDXOGGQ-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB Cc1[nH]ncc1CCCNCc1cccc(O)c1 47889037 JRNIJDFZIAPLOL-UHFFFAOYSA-N 245.326 2.146 0 40 BEAB Cc1cc(C)c2ncc3c(=O)o[nH]c3c2c1 64874528 OUGBOYWGPVJWNG-UHFFFAOYSA-N 214.224 2.286 0 40 BEAB COC1CCN(c2nc3ccccc3o2)CC1 65610087 OYRRFIJIKITQIY-UHFFFAOYSA-N 232.283 2.443 0 40 BEAB C[C@@](NC1CC1)(C(=O)O)C1CCCCC1 70953470 AARSWQPCCKWKPZ-LBPRGKRZSA-N 211.305 2.162 0 40 BEAB biogenic Cc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1 77028838 VEOANEHUOYJHTH-UHFFFAOYSA-N 247.338 2.289 0 40 BEAB CC(=O)c1c(F)cccc1NC[C@@H](O)C1CC1 80678125 LVKCHJMXYBOARY-GFCCVEGCSA-N 237.274 2.211 0 40 BEAB Cc1ccc(N(C)[C@@H](C)C(=O)O)c(C)c1 82259498 UCJGPFSJZWZUGB-JTQLQIEISA-N 207.273 2.213 0 40 BEAB CC(C)(C)OC(=O)n1cnc2c(N)cccc21 89194967 KMNMNTDCWQCPOO-UHFFFAOYSA-N 233.271 2.402 0 40 BEAB CC(C)(C)c1noc(C2(O)CCSCC2)n1 95943496 GIEHDLFDTUFQNA-UHFFFAOYSA-N 242.344 2.082 0 40 BEAB CCn1cnnc1CNC[C@@H]1C(C)=CCC[C@@H]1C 97098598 YUBSXKJSLDQTAC-QWHCGFSZSA-N 248.374 2.380 0 40 BEAB CN(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1N2 107262831 VOJPCYILVDYZFT-MGPQQGTHSA-N 216.328 2.011 0 40 BEAB C[C@H](NN)c1sccc1Br 161785380 YQVCOFIVOVBUHZ-BYPYZUCNSA-N 221.123 2.035 0 40 BEAB Cc1ccccc1[C@@H](CN)N1C[C@H](C)O[C@@H](C)C1 219674188 KUIMRTKOXCKTBR-KCQAQPDRSA-N 248.370 2.104 0 40 BEAB CCn1nccc1CNc1ccn(C(F)F)n1 256051354 IVKFUUBMVTYUJA-UHFFFAOYSA-N 241.245 2.107 0 40 BEAB O=C(NC[C@]1(O)C=CCCC1)c1cccc(F)c1 585146610 FEANMFFDZRLINT-AWEZNQCLSA-N 249.285 2.027 0 40 BEAB COC(=O)N[C@H](C)c1ccc(OC)cc1 50995 HJLQECJBWYRCJE-MRVPVSSYSA-N 209.245 2.112 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(OC)cc1OC 288835 INFDYEGHDMXGDI-SECBINFHSA-N 237.299 2.232 0 40 BEAB Cc1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 994069 FALROQMVIHGVHR-UHFFFAOYSA-N 241.246 2.384 0 40 BEAB CC[C@@]1(C(=O)O)O[C@]1(C)c1cccs1 1675752 ORVSBSUQWSVTII-ZJUUUORDSA-N 212.270 2.227 0 40 BEAB CCOC(=O)c1cnc2ccc(OC)cc2c1 1735219 NUBYMKNFTIBVKU-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB in-vitro COC(=O)Cc1cc(OC)c(OC)cc1Cl 1870678 AXHDWRXIGVQUJY-UHFFFAOYSA-N 244.674 2.073 0 40 BEAB CCOC(=O)CCC(=O)c1ccc(F)c(F)c1 2378917 ZYPZSBVMXDYVRF-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CCN1CCC[C@@H]1CNC1=NCCCCC1 4166933 KRZAPXOIWFZRHV-GFCCVEGCSA-N 223.364 2.033 0 40 BEAB C[C@]1(C2CC2)NC(=S)N(c2ccccc2)N1 4311522 TWPXNKVKSHHEAD-LBPRGKRZSA-N 233.340 2.012 0 40 BEAB Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 5448564 BOCXJGQDJLZNQU-UHFFFAOYSA-N 230.315 2.131 0 40 BEAB in-vitro COc1cc2c(cc1OC)[C@@H](C1CC1)NCC2 11598973 YWQQWCDYTYZUCM-CQSZACIVSA-N 233.311 2.301 0 40 BEAB Cc1nccn1-c1ccc(N)cc1Cl 12357647 MDYQFQLEBARMCW-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB C[C@H]1CN(C(=O)CC2CCCC2)C[C@@H](C)O1 12409049 NPSIAOPIMUGOAK-PHIMTYICSA-N 225.332 2.203 0 40 BEAB Cc1cccnc1NC(=O)Cc1c(C)noc1C 12634737 FSOBGWHELPOWAP-UHFFFAOYSA-N 245.282 2.176 0 40 BEAB C[C@H](Oc1ccc(F)c(Cl)c1)C(=O)O 13609105 PHTYQJHFTKTHQB-YFKPBYRVSA-N 218.611 2.331 0 40 BEAB Cc1cc(NC(=O)CNc2ccccc2F)no1 13987316 ZJGSYVJYZGKMPY-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)N)c(OC)c1 20392313 RRLUYITYNNJRHP-GGZOMVNGSA-N 221.300 2.155 0 40 BEAB O=C(C[C@@H]1C=CCC1)Nc1nnc2ccccn12 30712421 LBGULGGVOZKMHB-SNVBAGLBSA-N 242.282 2.024 0 40 BEAB COCCNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 32193284 AVYPWRJOVBGKBG-BMXCINDRSA-N 249.310 2.179 0 40 BEAB CCC(C)(C)NC(=O)c1ccc(N(C)C)nc1 32335825 GIDXXGCZKHSNIN-UHFFFAOYSA-N 235.331 2.066 0 40 BEAB Cc1cccc(NC(=O)[C@@H](C)n2cncn2)c1C 32760981 RTDUJAYKNPPHGW-LLVKDONJSA-N 244.298 2.095 0 40 BEAB O=S(=O)(c1cccc(F)c1)N1CCCCC1 33047865 UXXGDYWRASWFES-UHFFFAOYSA-N 243.303 2.000 0 40 BEAB NC(=O)c1cccc(CNCc2ccsc2)c1 35231684 SYBIOGYSJBYJSF-UHFFFAOYSA-N 246.335 2.137 0 40 BEAB C[C@H]1CCCC[C@H]1OCCNC(=O)C1CC1 40108280 IRCUBLHLRPNCNJ-CMPLNLGQSA-N 225.332 2.108 0 40 BEAB CCNCc1cn(C2CCCC2)nc1C 40538533 MFGKOCUEEBWDQJ-UHFFFAOYSA-N 207.321 2.416 0 40 BEAB Cc1nc(Cn2cnc3cc(C)c(C)cc32)no1 41146299 NOJMYINNMIWKLS-UHFFFAOYSA-N 242.282 2.393 0 40 BEAB C[C@H](CNC(=O)C1CC1)c1ccccc1 43700780 KIBRBVAOFNZNIH-SNVBAGLBSA-N 203.285 2.316 0 40 BEAB CC(=O)NCCCOc1cccc2cccnc12 44455442 AEAUQCLRHCYPED-UHFFFAOYSA-N 244.294 2.140 0 40 BEAB Cc1c2c(nc3c(O)cccc13)OCC2 44790227 OTHICFLPONHYRD-UHFFFAOYSA-N 201.225 2.184 0 40 BEAB O=C1C[C@@H](c2ccc(Br)cc2)CN1 48981150 JHTJSUCXKXNRAX-MRVPVSSYSA-N 240.100 2.053 0 40 BEAB CCN(c1cccc(C)c1)[C@H](C)C(=O)O 58130173 HFYYOMNOOGZRQE-SNVBAGLBSA-N 207.273 2.294 0 40 BEAB Cc1cccc(C(=O)N2C[C@@H](CN)CC[C@@H]2C)c1 70180525 XCTOGZFARJHFEZ-QWHCGFSZSA-N 246.354 2.194 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CCCCC1=O 71372435 URNWDOSTYDPAKR-VIFPVBQESA-N 227.304 2.270 0 40 BEAB in-vitro Nc1nc(Cl)cc(N[C@@H]2CCCSC2)n1 75094116 XXAPDWMMSYYSDU-ZCFIWIBFSA-N 244.751 2.020 0 40 BEAB C[C@H]1CCC[C@H]1Nc1cccc(C(N)=O)c1 83389877 IPAFVINMSOCLSX-JOYOIKCWSA-N 218.300 2.386 0 40 BEAB Cc1cccc(N(N)CC(F)(F)F)c1 85392019 OIVIWSUZARXKQA-UHFFFAOYSA-N 204.195 2.237 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)CCOCc1ccccc1 89920365 HZJACYYELBSWER-JSGCOSHPSA-N 247.338 2.318 0 40 BEAB COc1ccnc(NC(=O)/C=C/c2ccco2)c1 95446333 NGLIJHGKATXXGD-SNAWJCMRSA-N 244.250 2.335 0 40 BEAB Cc1nc2ncc(C(=O)O)cc2c(C)c1C 95533181 QOQGGLLIBRVZLW-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB N[C@H]1CCNc2ccc(Br)cc21 95742363 ATLBJDKNFBCSSX-QMMMGPOBSA-N 227.105 2.265 0 40 BEAB COC(=O)/C=C1\CCCN1C(=O)OC(C)(C)C 96528438 BRIIQLPCSMAAPI-CMDGGOBGSA-N 241.287 2.074 0 40 BEAB CCOC[C@H](C)Nc1cnc2c(c1)c(C)nn2C 97084901 CMKGRVQEMKVTQU-VIFPVBQESA-N 248.330 2.114 0 40 BEAB C[C@@H]1C(=O)CCCN1C(=O)OCc1ccccc1 143307026 WHIVJARRXOGLFF-LLVKDONJSA-N 247.294 2.377 0 40 BEAB Cc1nc(OCC(C)C)c(C(=O)O)s1 218268073 MNMDJWUEFUDHSK-UHFFFAOYSA-N 215.274 2.185 0 40 BEAB CC[C@@H]1CCCCN1CCCNC(=O)C1CC1 225384368 HIRKOULGQKHKOO-CYBMUJFWSA-N 238.375 2.167 0 40 BEAB CNc1ccc(N2CCOCC2)c(Cl)c1 226275424 WEIPIJMACLJAHR-UHFFFAOYSA-N 226.707 2.218 0 40 BEAB N[C@@H]1CCC[C@H](C[C@H]2CCC[C@@H](N)C2)C1 245190616 ZZYZUFNSKAIYCJ-FDYHWXHSSA-N 210.365 2.412 0 40 BEAB FC(F)CNc1ccnc(C2CCNCC2)c1 257324337 WOFACNYVAMLUTA-UHFFFAOYSA-N 241.285 2.226 0 40 BEAB Cc1ccc(OC[C@@H]2CCCOC2)nc1 334914016 ABYSQUBYNSSYGV-LLVKDONJSA-N 207.273 2.195 0 40 BEAB CC(C)OCc1c(Br)cnn1C 408716227 KESKUNWDRAVSHC-UHFFFAOYSA-N 233.109 2.108 0 40 BEAB Nc1sc(CC(F)(F)F)cc1C(=O)O 706626959 MGXPCDJPSCTDTL-UHFFFAOYSA-N 225.191 2.133 0 40 BEAB CCCCCC[C@@H]1OC[C@@H](COC(C)=O)O1 1672406 QNPVAETYSCEUQX-VXGBXAGGSA-N 230.304 2.261 0 40 BEAB Cc1ccccc1NC(=O)CNCc1ccco1 2655703 LZNINCVHOXETDC-UHFFFAOYSA-N 244.294 2.316 0 40 BEAB O=C(Oc1ccc2c(c1)OCO2)c1ccncc1 3552286 IIKRZJXUCSNLGR-UHFFFAOYSA-N 243.218 2.030 0 40 BEAB CC(C)C(=O)Nc1ccc2nc(N)sc2c1 4245348 BHNJATBFCVVWMW-UHFFFAOYSA-N 235.312 2.473 0 40 BEAB CCOC(=O)c1c(C)[nH]c(C2=NCCC2)c1C 4934518 JVGNVBCAUXTQBN-UHFFFAOYSA-N 234.299 2.391 0 40 BEAB CCOC(=O)c1cc(-c2cccs2)nn1C 5177762 MUIUODSZPZJMMP-UHFFFAOYSA-N 236.296 2.325 0 40 BEAB CC(=O)Nc1cccc(-c2nnc(C)o2)c1 5756527 UYMVQAUSWGGXMX-UHFFFAOYSA-N 217.228 2.003 0 40 BEAB CC[C@@H](C)NC(=O)COc1cccc(C)c1 10120466 ZZZZMHNLYUSAOT-LLVKDONJSA-N 221.300 2.289 0 40 BEAB N[C@H]1COc2c(Cl)cc(Cl)cc2C1 16083042 GXCBWMMYGZXYSB-SSDOTTSWSA-N 218.083 2.256 0 40 BEAB O=C(COC(=O)c1ccoc1)Nc1ccccc1 16157015 SSNIWWHADJYFLN-UHFFFAOYSA-N 245.234 2.075 0 40 BEAB O=C(c1ccccc1)N1CCCC[C@@H]1CCO 16476650 UVJGCTBDCLWLQR-CYBMUJFWSA-N 233.311 2.064 0 40 BEAB Cc1ccc2nc(C)cc(OCC(=O)O)c2c1 19229402 OEQRGGLRXZNHAJ-UHFFFAOYSA-N 231.251 2.315 0 40 BEAB O=C1Nc2cc(Cl)ccc2C2=NCCCN12 19345958 LERZBLOLHIVILM-UHFFFAOYSA-N 235.674 2.338 0 40 BEAB Nc1ccc(C(=O)N2CCc3ccccc32)cc1 19736673 GCSCLVPNJOMLEA-UHFFFAOYSA-N 238.290 2.472 0 40 BEAB CC1(C)C[C@H](CNCc2cccnc2)CCO1 27666624 RESBHYVTSSHCPY-GFCCVEGCSA-N 234.343 2.376 0 40 BEAB COC(OC)c1oc2ccc(O)cc2c1C=O 29753667 XKLWWCUGQQEBJU-UHFFFAOYSA-N 236.223 2.242 0 40 BEAB COc1cc(/C=C(/C)[N+](=O)[O-])cc(OC)c1 31852835 COWWUDOIMZXGFM-YWEYNIOJSA-N 223.228 2.341 0 40 BEAB COc1ccc(-c2nc(CN)c(C)o2)c(OC)c1 33048053 FHIPCHZLWKDLKD-UHFFFAOYSA-N 248.282 2.126 0 40 BEAB CCC(=O)c1cccnc1Br 34217297 OCCZPCHSJVFQJD-UHFFFAOYSA-N 214.062 2.437 0 40 BEAB Cc1n[nH]cc1CN[C@H](C)CCc1ccco1 36901639 CJAYAHMDXMLYBE-SNVBAGLBSA-N 233.315 2.422 0 40 BEAB CC(C)c1nccn1[C@@H]1CCCC[C@@H]1O 37694210 IYRJOXOSRJODCP-MNOVXSKESA-N 208.305 2.483 0 40 BEAB CCNCc1ccc(OCC(F)F)cc1 37755460 OWWFVWWTGMTJHK-UHFFFAOYSA-N 215.243 2.440 0 40 BEAB N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 43642008 IFQRFSKEHYUZAT-QLFBSQMISA-N 230.355 2.246 0 40 BEAB COC(=O)[C@H](C)CN[C@H](C)CCc1ccccc1 44288535 CBHOGIOVSJMKPU-CHWSQXEVSA-N 249.354 2.406 0 40 BEAB CCc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)o1 46437207 WLRMJTPTUDAEKF-UWVGGRQHSA-N 237.299 2.091 0 40 BEAB CC(C)=CC(=O)N1CCCC[C@H]1CCC(=O)O 50921004 LMVXWRHVBXDDCA-NSHDSACASA-N 239.315 2.199 0 40 BEAB CN1CCC(CNc2cccc(C(=O)O)c2)CC1 54240613 XVZUKBRBRZEYLK-UHFFFAOYSA-N 248.326 2.139 0 40 BEAB CC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1 67978456 GLJMVGJZYMYKJY-UHFFFAOYSA-N 243.310 2.401 0 40 BEAB CC[C@@H]1CN(CCC(C)C)CCN1CCOC 69739258 MSMBHQXUFHQNJR-CQSZACIVSA-N 242.407 2.075 0 40 BEAB CC(C)(C)C(=O)N1C[C@H]2CC=CC[C@H]2C1 76022330 ZZVMUOBSQJRUNO-PHIMTYICSA-N 207.317 2.457 0 40 BEAB CC(C)[C@@H]1CN(Cc2ccon2)CCS1 76065525 PQJSRHZAGSDEGP-NSHDSACASA-N 226.345 2.248 0 40 BEAB COC(=O)[C@@H](C)CSCc1nc(C)c(C)o1 78827439 ORRDOWPMCMCQHE-ZETCQYMHSA-N 243.328 2.334 0 40 BEAB Cc1cc(CCC(N)=O)ccc1Br 81557206 BNUFOKHLXVHFJV-UHFFFAOYSA-N 242.116 2.175 0 40 BEAB COC(=O)c1cc(-c2ccc(F)c(F)c2)n[nH]1 83179276 ZLJPTKYNJVRJJK-UHFFFAOYSA-N 238.193 2.142 0 40 BEAB COC(=O)[C@@H]1OC12CCC(C(C)C)CC2 84324064 WLOWKJJDDPFJOZ-YZRBJQDESA-N 212.289 2.143 0 40 BEAB S=C(NC1CC1)N[C@H]1C[C@H]1c1ccccc1 84525472 CWOPSMMWFMVWTI-RYUDHWBXSA-N 232.352 2.169 0 40 BEAB COC(=O)c1cnc(C(F)(F)F)c(C)c1 88315047 PLRXVQKCBVRKJK-UHFFFAOYSA-N 219.162 2.195 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(CCN2)CC1 91304606 BPYIYZOVEKWAIC-ZDUSSCGKSA-N 240.347 2.140 0 40 BEAB OC[C@@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 95422909 BIVFJSRXWWVNII-HOCLYGCPSA-N 245.366 2.295 0 40 BEAB Cc1ccc([C@H](N)c2n[nH]c(C3CC3)n2)cc1 95534158 LPWRYHGMTDCUDU-NSHDSACASA-N 228.299 2.039 0 40 BEAB CC[C@H](NCc1ncc(C)o1)[C@@H]1CCCO1 96013919 UPUZMJRYQFYLLZ-QWRGUYRKSA-N 224.304 2.030 0 40 BEAB CC(=O)c1c(O)n(C)c2ccc(F)cc12 96026258 NAGYDCNYNJUJIC-UHFFFAOYSA-N 207.204 2.226 0 40 BEAB Nc1nccc(Cl)c1-c1cccnc1 96135017 SSTIFVBVEBCMCG-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB CC(=O)NCCOc1cc(F)cc(F)c1Cl 96191863 SRVSAAOGYPJWQA-UHFFFAOYSA-N 249.644 2.133 0 40 BEAB c1ccc2c(c1)[C@@H](OCC1CC1)[C@H]1CNC[C@@H]21 96251686 XQSKRQAHFNXIQR-SOUVJXGZSA-N 229.323 2.471 0 40 BEAB CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCSC1 96478619 UDXPMZQHAYZHAC-OUAUKWLOSA-N 215.362 2.039 0 40 BEAB CCOCCN(C)Cc1cccc2cn[nH]c12 97051143 ZQOCTBJJDLXLBH-UHFFFAOYSA-N 233.315 2.031 0 40 BEAB CC1=NN2C=C(c3ccccc3)N[C@H]2S1 100928693 HVRBRSJXHMQXPQ-LLVKDONJSA-N 217.297 2.254 0 40 BEAB Cc1cc(NCCN)c2cccc(F)c2n1 222686617 RUZAERLJMKHNND-UHFFFAOYSA-N 219.263 2.053 0 40 BEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H](O)c1ccccc1 253369703 GXYMBIRBWRFAIC-DOERSZECSA-N 245.322 2.025 0 40 BEAB CC(C)(C)OC(=O)N1CCCC12CC(CO)C2 261508994 YYBNAYOJLLFZPA-UHFFFAOYSA-N 241.331 2.158 0 40 BEAB O=C(Nc1ccc(F)cn1)C1CC(F)(F)C1 334863833 YUBBBNFTCIVNDH-UHFFFAOYSA-N 230.189 2.205 0 40 BEAB CN1CCC[C@H]1C[C@H]1CNc2cccc(O)c21 504729501 IEZDBJGTSJCFTD-QWRGUYRKSA-N 232.327 2.386 0 40 BEAB N=C(N)[C@@H]1C[C@@H]1c1ccc(Br)cc1 575423451 NJRWLSBDDNFIKQ-RKDXNWHRSA-N 239.116 2.489 0 40 BEAB Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1 244916 OWACAQHQSRMSEQ-UHFFFAOYSA-N 224.267 2.394 0 40 BEAB O=C(c1cc(Cl)cc(Cl)c1)N1CC1 1755433 ONNAKCJXGGIZGT-UHFFFAOYSA-N 216.067 2.449 0 40 BEAB Cc1cc(Cl)cc(C)c1OCC(=O)O 3308327 ZUQUKAZRAFLJAZ-UHFFFAOYSA-N 214.648 2.420 0 40 BEAB COc1ccc([C@H](O)Cc2ccncc2)cc1 4046534 XDHAQPAJDNESBV-CQSZACIVSA-N 229.279 2.366 0 40 BEAB O=c1ccnc(NCc2ccc(Cl)cc2)[nH]1 4368102 ISPZYELVBXRARH-UHFFFAOYSA-N 235.674 2.035 0 40 BEAB Cc1c2n(c3ccccc13)C[C@@H]1CON(C)[C@@H]21 5552344 RCJBKGVIIPIVRD-QMTHXVAHSA-N 228.295 2.498 0 40 BEAB Cc1ccccc1OC(=O)c1snnc1C 8673494 GCDXZGZZPJDWEO-UHFFFAOYSA-N 234.280 2.374 0 40 BEAB COC[C@H](C)Oc1ccc(Cl)cc1N 8730365 CMQJNXATQBOQPG-ZETCQYMHSA-N 215.680 2.336 0 40 BEAB in-vitro O=C(NC1CC1)c1cccc2cccnc12 9336855 OESXNTWXDBGEGQ-UHFFFAOYSA-N 212.252 2.127 0 40 BEAB OCCCNc1nc(Cl)nc2ccccc12 11756473 YTPXHENDHCGGPV-UHFFFAOYSA-N 237.690 2.078 0 40 BEAB COc1cc(CNC(=O)[C@H]2CC=CCC2)ccn1 12536779 RGNFUUOJHUQMTJ-LBPRGKRZSA-N 246.310 2.063 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C 13814041 YEFPZQNJYCVDAB-LBPRGKRZSA-N 232.327 2.336 0 40 BEAB O=C(/C=C/c1ccccc1)OC[C@H]1CCCO1 14018383 QCMSQCLNALBZOD-MMQHEFTJSA-N 232.279 2.422 0 40 BEAB endogenous,in-man CCCCC(=O)NCc1csc(C)n1 15832252 KKCGALLWDZCPFQ-UHFFFAOYSA-N 212.318 2.258 0 40 BEAB CC(C)(C)NC(=O)c1cc(F)cc(F)c1 16322879 DMUAFQMJMLKILK-UHFFFAOYSA-N 213.227 2.493 0 40 BEAB O=C1CCCc2nc3cc4c(cc3cc21)OCO4 18196395 NVFXQNBJJWRVEH-UHFFFAOYSA-N 241.246 2.483 0 40 BEAB CCOC(=O)c1cc2cccc(C(=O)O)c2[nH]1 19408113 TXSTYUAVGVWLPN-UHFFFAOYSA-N 233.223 2.043 0 40 BEAB CC1(C)[C@H]2C(=O)CC[C@@H]3CC[C@](C)(O)[C@H]3[C@@H]21 19800967 MPVLWELHRXVGPH-WGXZQLAJSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro C[C@@H](c1ccccc1)N(C)C(=O)c1cnccn1 32721754 FMTNDULSDHPHLM-NSHDSACASA-N 241.294 2.310 0 40 BEAB O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3=O 33710156 RCOVHFCIIDAMJU-UHFFFAOYSA-N 229.235 2.385 0 40 BEAB CC(C)C(=O)Nc1cccc(F)c1C(=O)O 35305854 LWCRVNLCHGGQKW-UHFFFAOYSA-N 225.219 2.118 0 40 BEAB in-vitro CCN(CC)[C@H](CN)c1cc(F)ccc1F 37233443 NYGAVQPQWVQGDN-GFCCVEGCSA-N 228.286 2.306 0 40 BEAB C[C@@H](Cn1nccc1N)c1ccccc1 39320449 UYYWMNXMONVGIJ-JTQLQIEISA-N 201.273 2.269 0 40 BEAB CC(=O)Cn1ccc(=O)c2cccc(Cl)c21 40164144 YEDKUZDAJXNRPZ-UHFFFAOYSA-N 235.670 2.244 0 40 BEAB COC(=O)c1cc(N)ccc1N1CCCC[C@H]1C 41079757 VZMGWSRKXSBXMX-SNVBAGLBSA-N 248.326 2.434 0 40 BEAB COc1ccccc1-c1nc(CN)c(C)o1 41231011 OOQBSCBXBQKZON-UHFFFAOYSA-N 218.256 2.117 0 40 BEAB COc1ccc(CN(C)C(=O)C(C)C)cc1 44818921 BWSBOFYYKMLKTP-UHFFFAOYSA-N 221.300 2.310 0 40 BEAB Brc1ccc2snnc2c1 59864337 SYDNXOHIHAFFBS-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB O=C(CSC1CCCC1)NCC(F)(F)F 60965968 IUFPJJUSRWZCDR-UHFFFAOYSA-N 241.278 2.341 0 40 BEAB CCCNC(=O)CN(C)[C@@H](C)c1ccccc1 61760196 UHDHOWQEZSWZQA-LBPRGKRZSA-N 234.343 2.206 0 40 BEAB COC(=O)C1(N)CCCCCCCCC1 66055328 DDMRAJLUAZVGOD-UHFFFAOYSA-N 213.321 2.381 0 40 BEAB CC[C@@H](C)C(=O)N(CC)c1ccc(OC)nc1 67655729 ONTKRRQNQVBUAA-SNVBAGLBSA-N 236.315 2.489 0 40 BEAB Cc1c(Cl)cccc1OCC(=O)O 68576029 GLSHQWWBXCWJDK-UHFFFAOYSA-N 200.621 2.112 0 40 BEAB in-vitro COC(=O)c1ccc(NCc2ccccc2)nc1 72225340 NSYPWAXUUDANQQ-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CC(C)c1[nH]nc(N)c1-c1cccnc1 77297309 OSSFZPMQODHDSL-UHFFFAOYSA-N 202.261 2.177 0 40 BEAB Cc1nc(Cn2cc(-n3cccc3)cn2)cs1 81080981 BMZWDFWVWJPCQN-UHFFFAOYSA-N 244.323 2.487 0 40 BEAB Cc1cccc([C@@H]2CCCN2C(=O)CCN)c1C 83932535 XDRTYMOCZRHOPN-AWEZNQCLSA-N 246.354 2.316 0 40 BEAB Cc1nc(Br)c2n1CCCC2 83989894 OXEFJIQGZINRAE-UHFFFAOYSA-N 215.094 2.290 0 40 BEAB CCOc1ccc2ccccc2c1CNN 89211684 VQUXGMKTTUTVOI-UHFFFAOYSA-N 216.284 2.202 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@@H]2C1 89536729 PLPWAAHGWYBNPK-GHMZBOCLSA-N 218.300 2.195 0 40 BEAB C[C@H](N[C@H](C)C1CCN(C)CC1)C1CCC1 90856772 GMJARXCGKSKXFA-NWDGAFQWSA-N 224.392 2.495 0 40 BEAB c1nc(N2CCC[C@H]3CCC[C@@H]32)c2cn[nH]c2n1 95403323 NWOUTFYLCNZFMF-KOLCDFICSA-N 243.314 2.122 0 40 BEAB CCc1nccc(-c2sc(N)nc2C)n1 95629749 PGRZUFSNYTZWHD-UHFFFAOYSA-N 220.301 2.053 0 40 BEAB Cc1cc(C)n(CCO[C@H]2CCCCO2)n1 192839178 JFDAJTIBBRCYEN-LBPRGKRZSA-N 224.304 2.043 0 40 BEAB C[C@@]1(C(=O)Nc2ncccc2O)CCCS1 195559184 LUDFOFNMEPPMPM-NSHDSACASA-N 238.312 2.011 0 40 BEAB c1ccc(-c2cn(C[C@H]3CCCO3)nn2)cc1 200170672 KOWDYTGRIXBBRB-GFCCVEGCSA-N 229.283 2.124 0 40 BEAB COC(=O)[C@@H](C(C)C)N1CCCC[C@H]1C 248232640 LGVTXLWASYUXKR-GHMZBOCLSA-N 213.321 2.058 0 40 BEAB O[C@H]1CCCc2nc(C(F)(F)F)ccc21 252492430 MLZKXLIBRNBVJC-QMMMGPOBSA-N 217.190 2.470 0 40 BEAB CN1CC(=O)N[C@H]1c1cccc(CC2CCC2)c1 864373113 DJWIWVGSJJFXKM-OAHLLOKOSA-N 244.338 2.089 0 40 BEAB FC[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 882842334 SXZGEECLXJEUNV-SSDOTTSWSA-N 249.211 2.291 0 40 BEAB NCc1ccc2c(cnn2CC(F)(F)F)c1 1525644073 BJADZUHNWGHUCF-UHFFFAOYSA-N 229.205 2.057 0 40 BEAB CC1(C)COC(c2ccc(O)cc2)OC1 75366 OWZIEIAHHJTZIB-UHFFFAOYSA-N 208.257 2.464 0 40 BEAB Cc1cccc(NC2=NCCO2)c1Cl 1639157 AOTHJODWXAVQHV-UHFFFAOYSA-N 210.664 2.447 0 40 BEAB Cc1ccccc1-n1cccc1C(=O)O 1753229 NQKTYRMSWSQSIS-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB COc1ccc(C(=O)CC(C)(C)C(=O)O)cc1 2378753 MWWLDHHCRLWJJE-UHFFFAOYSA-N 236.267 2.379 0 40 BEAB Cc1cc(C)c(C(=O)O)c(C)c1C(=O)O 3847159 LLEPHQRKXHHQEI-UHFFFAOYSA-N 208.213 2.008 0 40 BEAB biogenic Cc1ccc(CNC(=O)C(F)(F)F)cc1 4833527 KGNPSTIXBIQSQW-UHFFFAOYSA-N 217.190 2.174 0 40 BEAB Cn1c(CCCCC(=O)O)nc2ccccc21 4942659 HQQUJYDURKYPDK-UHFFFAOYSA-N 232.283 2.371 0 40 BEAB Cc1cc(C(=O)N(C)c2ccccc2)on1 6738078 XYDJQJLFJLVEHJ-UHFFFAOYSA-N 216.240 2.260 0 40 BEAB O=C(O)c1cc(-c2ccc(F)c(F)c2)[nH]n1 6849504 ZRBZHCIHCLBBIZ-UHFFFAOYSA-N 224.166 2.053 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 7307817 LKASJCNNFUKDLF-MRVPVSSYSA-N 247.747 2.417 0 40 BEAB CCCCCSc1nc(O)cc(O)n1 8625454 PZFSMTJJBIHJDT-UHFFFAOYSA-N 214.290 2.170 0 40 BEAB CO[C@@H](c1ccccc1)C1CCNCC1 11630806 UEUIZCAEPUNEDC-ZDUSSCGKSA-N 205.301 2.374 0 40 BEAB Cc1cccc(N2[C@@H](C)CNC[C@@H]2C)c1C 11632630 HZBPUJQEOWGYGS-RYUDHWBXSA-N 218.344 2.490 0 40 BEAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1 14429371 RCNOFDYZWOTAOC-UHFFFAOYSA-N 248.669 2.281 0 40 BEAB COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 14788448 OEEZXWYOYOXHMF-KWQFWETISA-N 233.267 2.068 0 40 BEAB C=CC(=O)N[C@@H](C)CCc1ccccc1 16849644 RGYUTQYBPYGEPW-NSHDSACASA-N 203.285 2.310 0 40 BEAB CN(C)[C@@H](C(=O)O)c1cccc(Cl)c1 16873051 RQFSLMYOSSZFQY-SECBINFHSA-N 213.664 2.027 0 40 BEAB biogenic,in-vitro Cc1cc(NC(=O)CNc2ccccc2F)on1 24226668 XOIYHMXFHHQCLV-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB Cn1cc(NC(=O)c2cc3ccccc3o2)cn1 25304946 XQBLKCCTQXZOCG-UHFFFAOYSA-N 241.250 2.419 0 40 BEAB O=C(O)CSc1ccnc2ccccc12 26507590 YNVFNYVMGCFOPY-UHFFFAOYSA-N 219.265 2.412 0 40 BEAB CNCc1cc(-c2ccc(C)cc2)on1 26547772 JYGHGLDQGKSUPV-UHFFFAOYSA-N 202.257 2.369 0 40 BEAB CC(C)(C)CC(=O)N1CC(=O)Nc2ccccc21 32858015 TXWGKPJUAGEUHL-UHFFFAOYSA-N 246.310 2.408 0 40 BEAB FC(F)(F)c1nc(-c2ccccc2)n[nH]1 34203934 DEVRZHXKHXGIIY-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB COC(=O)C[C@H](C)N[C@@H](C)c1ccccc1 35747501 QRAFHBCFBWYWHQ-QWRGUYRKSA-N 221.300 2.289 0 40 BEAB in-vitro COC(=O)C(C)(C)NCc1ccc(C)s1 37085135 YSYKOOJIHCKHES-UHFFFAOYSA-N 227.329 2.098 0 40 BEAB CC(C)c1nccn1[C@H]1CCCC[C@H]1O 37694213 IYRJOXOSRJODCP-WDEREUQCSA-N 208.305 2.483 0 40 BEAB c1ccc(-n2ccc([C@H]3CCCN3)n2)cc1 42784244 WJHGWYMRTDYVBH-GFCCVEGCSA-N 213.284 2.297 0 40 BEAB CC(C)=CC(=O)N1CCC[C@H](CCC(=O)O)C1 43589626 HSAYWJCRLAYJKW-LLVKDONJSA-N 239.315 2.056 0 40 BEAB O=C(CNc1ccccc1F)N1CCCCC1 58372529 DZYSKHLQQSYQGA-UHFFFAOYSA-N 236.290 2.250 0 40 BEAB Cc1cccc(OCc2nnnn2C2CC2)c1C 65522761 AGUXNBNCBKPZCR-UHFFFAOYSA-N 244.298 2.204 0 40 BEAB Cc1cccc(C)c1OCc1nnnn1C1CC1 65562249 OGWBFXZITLEYQG-UHFFFAOYSA-N 244.298 2.204 0 40 BEAB CCOC(=O)c1nc(C)[nH]c1[C@H]1C[C@@H]1C 66339152 GQNIWBMKBWLDTC-XPUUQOCRSA-N 208.261 2.018 0 40 BEAB N=C(N)c1ncc(C(F)(F)F)cc1Cl 71186724 JMDKICCJPFBZQE-UHFFFAOYSA-N 223.585 2.038 0 40 BEAB CC[C@H](O)c1ccc(Br)nc1 72225032 HRCGHWKWZMLTCB-ZETCQYMHSA-N 216.078 2.288 0 40 BEAB Fc1cc(Br)c2nccn2c1 82534755 USDJRHUYKUZVBQ-UHFFFAOYSA-N 215.025 2.236 0 40 BEAB O=C(O)c1ccc(CC(F)(F)F)cc1 82927062 VQFXVWBKGITFDC-UHFFFAOYSA-N 204.147 2.490 0 40 BEAB N[C@@H](CCc1ccc(Cl)cc1Cl)C(=O)O 84079271 VSJIELYJPAYOJA-VIFPVBQESA-N 248.109 2.338 0 40 BEAB C[C@H](C(=O)O)n1cc(-c2cccc(F)c2)cn1 85391387 CGMDXEWTHRHOAZ-MRVPVSSYSA-N 234.230 2.335 0 40 BEAB FC(F)(F)C(F)(F)OC[C@@H]1CCCCN1 91252392 QGDSZTUSQIBDIM-LURJTMIESA-N 233.180 2.300 0 40 BEAB COCCC1CC(COc2ccc(N)cn2)C1 95093858 WBGZPESFKKPISK-UHFFFAOYSA-N 236.315 2.105 0 40 BEAB COC(=O)CN1CCC[C@H]1c1ccsc1 95350330 KUVNFNXCQAIBKS-JTQLQIEISA-N 225.313 2.058 0 40 BEAB C[C@H](CCCO)NCCc1c[nH]c2ccccc12 95427029 ZTWKHLPIOFJBBY-GFCCVEGCSA-N 246.354 2.461 0 40 BEAB Fc1cccc(OCCC2OCCO2)c1F 95733863 CVCGWFWIOAEIJU-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB CC[C@H](O)[C@H](N)c1ccc(OC(C)C)cc1 95813283 PIWPESPTVQKIEY-QWHCGFSZSA-N 223.316 2.245 0 40 BEAB c1cnc(N2CC[C@H]3CCCC[C@@H]32)cn1 96458964 NTCJMHYDLMQTOG-MNOVXSKESA-N 203.289 2.246 0 40 BEAB COCC[C@H](C)SCc1nnc(C)o1 96467892 BLXMTJGTKMLXRM-ZETCQYMHSA-N 216.306 2.036 0 40 BEAB NCC1([C@@H](O)c2cccc(Cl)c2)CC1 96527067 FJCSPINWRDNSBF-JTQLQIEISA-N 211.692 2.112 0 40 BEAB Cc1nnc([C@H](C)Nc2cnn(C(C)C)c2)o1 97140058 OBDYRUWTUIQGJL-QMMMGPOBSA-N 235.291 2.329 0 40 BEAB O=Cc1c(F)ccc(C(F)(F)F)c1O 97439001 BJIYZRAFESMPCD-UHFFFAOYSA-N 208.110 2.363 0 40 BEAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CC[C@@H]1C2 100860541 QECZLPBEKKZRFH-FOGDFJRCSA-N 219.284 2.332 0 40 BEAB CC1=NN2C=C(c3ccccc3)N[C@@H]2S1 100928692 HVRBRSJXHMQXPQ-NSHDSACASA-N 217.297 2.254 0 40 BEAB CSc1ccccc1-n1cc([C@@H](C)O)nn1 163369499 LFOYFCQMHRAOJJ-MRVPVSSYSA-N 235.312 2.043 0 40 BEAB CCc1ccccc1Cn1nc(C)ccc1=O 188205572 WDIWYRQXSQVSIQ-UHFFFAOYSA-N 228.295 2.162 0 40 BEAB C1CC[C@@H](OCCSC[C@H]2CCCO2)OC1 193446214 USOWFRVLATZSBK-VXGBXAGGSA-N 246.372 2.442 0 40 BEAB CC(C)CC1=NN[C@H]2CC(C)(C)CC(=O)[C@@H]12 228923556 RGPRDWNRZKFZSV-JQWIXIFHSA-N 222.332 2.366 0 40 BEAB Cc1cn(CCF)nc1NCc1cccn1C 256053700 SMYSWUCZEABBMD-UHFFFAOYSA-N 236.294 2.112 0 40 BEAB CN1CCC[C@H]1c1cccc(-c2ccnn2C)n1 257244343 IKWMNDVBUZZONA-ZDUSSCGKSA-N 242.326 2.249 0 40 BEAB CCn1ccs/c1=N\C(=O)c1ccccc1 408561942 LWBCAJQPJUBUOZ-SEYXRHQNSA-N 232.308 2.311 0 40 BEAB Cc1cc(N(C)C2CCCC2)n2nccc2n1 1888859547 ODGJGNGFJWOCGL-UHFFFAOYSA-N 230.315 2.417 0 40 BEAB CC(=O)Oc1ccnc(C(F)(F)F)c1C(C)=O 129176 IZXWVCXDOUJEPE-UHFFFAOYSA-N 247.172 2.228 0 40 BEAB Cc1cc(Cl)cc(Cl)c1C(N)=O 153309 VFEDGRKNPQMLEP-UHFFFAOYSA-N 204.056 2.401 0 40 BEAB CC(C)[C@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 345790 ISECDCWBPMVGJG-VXGBXAGGSA-N 247.294 2.213 0 40 BEAB CSc1ccccc1NC(=O)c1cnn(C)c1 355605 ARDRTPJODSXMEE-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB COc1ccc(CNC(=O)c2ccccn2)cc1 984064 DXONIXQBQWIJMK-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB Nc1ccc(C(=O)Oc2ccccc2)cc1 1081538 HGRXBNZHQKXDPL-UHFFFAOYSA-N 213.236 2.488 0 40 BEAB in-vitro O=C1CCc2nc(-c3ccccc3)ncc21 1559160 UPTQVZHQDNQVQT-UHFFFAOYSA-N 210.236 2.273 0 40 BEAB CCn1nccc1CNCc1cccc(OC)c1 2536116 MGWBZUHFILLFAX-UHFFFAOYSA-N 245.326 2.201 0 40 BEAB CNC(=O)Cc1ccc(Cl)cc1Cl 5392411 KRHOGLARHGDUNL-UHFFFAOYSA-N 218.083 2.282 0 40 BEAB CC(=O)/N=c1\scc(C)n1C(C)(C)C 5509883 CTZQGOCIVWNSGO-LUAWRHEFSA-N 212.318 2.060 0 40 BEAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccco1 5676860 PQUMMGONKCIJMR-AXFHLTTASA-N 219.284 2.446 0 40 BEAB O=C(Nc1cccnc1)OCC(F)(F)F 7736522 JENVVQWNHIPHCE-UHFFFAOYSA-N 220.150 2.192 0 40 BEAB in-vitro COc1cccc(CC(=O)NCc2ccco2)c1 7777653 MCVGSHYJFHYYEI-UHFFFAOYSA-N 245.278 2.147 0 40 BEAB Cc1ccc(Cn2cccc2C=O)nc1 8702359 VSECCIBQPDCPKK-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB CCCC(=O)NCC1(N(C)C)CCCCC1 8830905 PSBPGGVIXFPVCK-UHFFFAOYSA-N 226.364 2.167 0 40 BEAB Cc1ccc2nc([C@H]3CCCNC3)[nH]c2c1 14807793 AGJOSQVIIMRBCK-JTQLQIEISA-N 215.300 2.338 0 40 BEAB in-vitro Cn1ccnc1SC[C@@H]1CCCCO1 16044655 WUDQBRQPFHQCPZ-VIFPVBQESA-N 212.318 2.081 0 40 BEAB CC(C)(C)C(=O)NC[C@H]1COc2ccccc2C1 28076077 HSJGBRGCIAEXDP-NSHDSACASA-N 247.338 2.400 0 40 BEAB CCn1ccc(NC(=O)C2CCCC2)n1 28228068 PUNPGKYNCJLFPH-UHFFFAOYSA-N 207.277 2.032 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccn1 32841327 QMXQHIZLRAGABF-DGCLKSJQSA-N 247.342 2.460 0 40 BEAB O=C(Nc1cccnc1)NC(C1CC1)C1CC1 32899885 XKEMSVWPQWAVPV-UHFFFAOYSA-N 231.299 2.392 0 40 BEAB CC(C)(C)NCCC(=O)OC(C)(C)C 34200226 CLWNYQKQEKJXDD-UHFFFAOYSA-N 201.310 2.106 0 40 BEAB O=C(O)c1cc(-c2cc(F)ccc2F)no1 37228333 CORJOVLCLCEXNX-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB in-vitro COc1ccccc1[C@H](N)c1ccccn1 37466338 ZJWYEBFUZYOBGI-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB CCCc1nnc(C)n1-c1ccc(O)cc1 40537972 HWSYHZPSFRZTBR-UHFFFAOYSA-N 217.272 2.234 0 40 BEAB O=Cc1ccc(C(=O)N2CCCCC2)cc1 41229858 UITGRKOJUBJCHX-UHFFFAOYSA-N 217.268 2.125 0 40 BEAB CC(C)(Br)C(=O)N1CCCCC1 41716946 COOYFNIWDZJKJL-UHFFFAOYSA-N 234.137 2.172 0 40 BEAB Clc1cncc(OCC[C@H]2CCCCN2)n1 42774129 AJFFVQGKZMZNNG-SECBINFHSA-N 241.722 2.041 0 40 BEAB in-vitro COc1ccc([C@H](O)[C@@H](C)n2cccn2)cc1 44182802 GDISAVSZXXPIDU-ZWNOBZJWSA-N 232.283 2.186 0 40 BEAB in-vitro CCOC(=O)c1cnc2cc(F)ccc2c1N 47913013 ZFIAMTDTFJERBJ-UHFFFAOYSA-N 234.230 2.133 0 40 BEAB COC[C@@H](C)Nc1cc(F)ccc1F 53172106 VSBGTXMYUUYIHU-SSDOTTSWSA-N 201.216 2.412 0 40 BEAB CC[C@](C)(O)c1ccc(OC)c(OC)c1 55191834 OLZTVISZESDKTH-LBPRGKRZSA-N 210.273 2.321 0 40 BEAB CC[C@H](NC(C)=O)c1ccc(OC)cc1 58268496 DDGIFDZDCCOYQM-LBPRGKRZSA-N 207.273 2.282 0 40 BEAB CC(=O)OCC(=O)c1cc(C)c(C)cc1C 61574626 MTRSLPBEVDYSOI-UHFFFAOYSA-N 220.268 2.358 0 40 BEAB CCOc1ccc(-c2cc(CC(=O)O)no2)cc1 62716542 VPKWTGDACZETEJ-UHFFFAOYSA-N 247.250 2.367 0 40 BEAB COc1ccc([C@@H]2CCCCN2C(C)=O)cn1 72211698 ZJXAOALAGZHBRK-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1 72218902 MKEQLXRJMCCJEF-ZDUSSCGKSA-N 231.343 2.415 0 40 BEAB CC[C@H]1CN(CCCO)c2ccccc2O1 75840290 LVSMDFFWHYQCJY-NSHDSACASA-N 221.300 2.046 0 40 BEAB CCc1ccc(C(=O)Oc2c(C)nn(C)c2C)o1 83825374 BHONRNCQCPHWJW-UHFFFAOYSA-N 248.282 2.412 0 40 BEAB Cc1ccsc1[C@@H](N)c1ccccn1 87021686 PQPXWIPBEKQGQD-JTQLQIEISA-N 204.298 2.500 0 40 BEAB O=C([C@@H]1CCOC1)N1CCC2(CCCCC2)C1 89818550 GQFNRLCJNSLGGU-GFCCVEGCSA-N 237.343 2.206 0 40 BEAB Cc1nccc(NC(=O)N(C)CC2CCC2)n1 95942348 HRTXDNQWGUJPNO-UHFFFAOYSA-N 234.303 2.049 0 40 BEAB CC(C)[C@@H]1CN(c2cnccn2)CCS1 95962022 HCALOVVQIKSAHK-JTQLQIEISA-N 223.345 2.054 0 40 BEAB c1c2c(nn1C1CCCC1)C[C@H]1CC[C@@H]2N1 96510253 MNUNPCMEPFJAOI-SKDRFNHKSA-N 217.316 2.347 0 40 BEAB COc1cc(F)ccc1[C@@](C)(O)C1CC1 96543348 PWLOJYOADLIDBB-LBPRGKRZSA-N 210.248 2.452 0 40 BEAB Nc1cc(F)ccc1N[C@H]1CC[C@H](O)CC1 100810008 FVTBIWRNHSMEFS-AOOOYVTPSA-N 224.279 2.123 0 40 BEAB CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106135327 RNAROLDWUKTJRO-TZMCWYRMSA-N 246.354 2.348 0 40 BEAB CCN(CC)[C@H](Cc1ccc(F)cc1)C(=O)O 107843731 GXRWSQFOUZDWNZ-GFCCVEGCSA-N 239.290 2.163 0 40 BEAB CO[C@H]1CCCN(C(=O)Nc2cccs2)C1 238978331 ZZFWWBLGOVYIHA-VIFPVBQESA-N 240.328 2.391 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C 249694002 OQKJKCCRSOBXLL-GPVWGEJLSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro CN(Cc1ccco1)[C@H]1CCC12CCNCC2 306131248 JZERYCJVLDCAJG-ZDUSSCGKSA-N 234.343 2.244 0 40 BEAB COc1ccccc1NC(=O)c1cncc(F)c1 336349769 AEQDKQASZRLWBW-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CN(C(=O)c1cscn1)[C@@H]1CCC[C@H]1F 585298967 XAQJNBSTFQEHSA-VXNVDRBHSA-N 228.292 2.106 0 40 BEAB Nc1ccc(C(=O)Nc2ccccc2N)cc1 1310 QGMGHALXLXKCBD-UHFFFAOYSA-N 227.267 2.103 0 40 BEAB in-man OC12C3CCC[C@]14CCC[C@]2(CCC3)O4 345896 HLKDPNIGJWAHCF-ZFQMDJOTSA-N 208.301 2.393 0 40 BEAB O=C(Oc1ccccn1)c1ccccc1F 375603 RFMWLQGMEGTNAT-UHFFFAOYSA-N 217.199 2.440 0 40 BEAB Cc1c(C(=O)N(C)C)c2ccc(F)cc2n1O 480552 FZUQKEFIJPKMIF-UHFFFAOYSA-N 236.246 2.028 0 40 BEAB CO[C@H](CC(=O)O)c1nc2ccccc2s1 529318 PWLPZAGOMVPORD-MRVPVSSYSA-N 237.280 2.459 0 40 BEAB CCOC(=O)[C@@H](CC)[C@@H](O)c1ccccc1 1095280 MCJORAPHPVJYNZ-RYUDHWBXSA-N 222.284 2.309 0 40 BEAB in-vitro CC(C)N1C[C@H](C)C(=O)N(c2ccccc2)C1=O 1677768 WSQAOYQGVWQUDL-NSHDSACASA-N 246.310 2.500 0 40 BEAB COc1ccc(NC2=NCCS2)cc1OC 3228258 VYBBZPLTWFVJQI-UHFFFAOYSA-N 238.312 2.219 0 40 BEAB CN1CCCC[C@@H]1[C@](C)(O)c1ccccc1 4777752 LXDBGLKINLPWMY-ZIAGYGMSSA-N 219.328 2.378 0 40 BEAB CC(C)NC(=O)c1cnc2c(cnn2C(C)C)c1 12865263 PXBLXYLIJMOLCW-UHFFFAOYSA-N 246.314 2.150 0 40 BEAB O=C(O)CCCn1ccnc1-c1ccccc1 16941545 QUDVHXPOVLZDQH-UHFFFAOYSA-N 230.267 2.415 0 40 BEAB in-vitro C[C@H]1C[C@@H]1c1ccc(CNCCN(C)C)o1 19260204 DHAQBFIMXSUXJB-JQWIXIFHSA-N 222.332 2.054 0 40 BEAB O=C(O)Cc1ccc(Cl)c(F)c1F 21985463 LJXHDPCNUBPCKN-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB CC[C@](C)(C(=O)OC)N1C[C@H](C)C[C@@H](C)C1 22123493 IMWNBBNBQVEZCR-NQBHXWOUSA-N 227.348 2.306 0 40 BEAB Cc1ccc2sc(NC(N)=S)nc2c1 22124879 QKONVBNHAPNOJR-UHFFFAOYSA-N 223.326 2.260 0 40 BEAB Cc1ccc(CNC(=O)c2ccccc2F)n1C 23574485 LMGQZHSNODVLPH-UHFFFAOYSA-N 246.285 2.403 0 40 BEAB C/C=C\C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 31903323 JNPAFAUEFHWJTA-NWPZZWLHSA-N 244.294 2.184 0 40 BEAB Cn1cccc1C(=O)N1CCCCCC1 32666383 LOWCRJSZILJCPD-UHFFFAOYSA-N 206.289 2.041 0 40 BEAB Cc1cc(C)nc(N(C)Cc2ccco2)n1 32908932 XFWMEGRJKBBTTH-UHFFFAOYSA-N 217.272 2.323 0 40 BEAB CN[C@@H](C(=O)O)c1c(Cl)cccc1Cl 37180893 XTGACMQDOADNHH-MRVPVSSYSA-N 234.082 2.339 0 40 BEAB biogenic O=C1CC[C@@]2(CCCc3ccccc32)N1 38271626 GRMWQKUXYAXHDB-CYBMUJFWSA-N 201.269 2.128 0 40 BEAB C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)C1CC1 39527616 LZWVPAOYWQMHDQ-GWCFXTLKSA-N 245.322 2.152 0 40 BEAB Brc1ccnn1[C@@H]1CCCCO1 40456515 CVHYIERLKZMAPH-QMMMGPOBSA-N 231.093 2.345 0 40 BEAB in-vitro O=C(COCC(F)(F)F)NC1CCCCC1 40530156 NYINCKDQVKJWOX-UHFFFAOYSA-N 239.237 2.014 0 40 BEAB Cc1ccccc1Cn1[nH]c2ncccc2c1=O 40555314 FEADAOMKGFIRCC-UHFFFAOYSA-N 239.278 2.081 0 40 BEAB CC(C)Oc1cccc(CCC(=O)O)c1 40641171 QXOWDBUIALLDFJ-UHFFFAOYSA-N 208.257 2.491 0 40 BEAB biogenic COc1ccc(C(=O)NC(C2CC2)C2CC2)cn1 42025471 LXOAIIYPECYBLB-UHFFFAOYSA-N 246.310 2.009 0 40 BEAB c1ccc2c(c1)ncn2C[C@@H]1CCCNC1 43472095 QGJUPDPLNVQXBL-LLVKDONJSA-N 215.300 2.036 0 40 BEAB Cc1cc(C(=O)NCCc2cccs2)no1 43945619 QQFXMTJXMIGBBR-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB C[C@H]1CCCCN1Cc1nc(C2CC2)no1 43999600 BYRQRAFNYSBIME-VIFPVBQESA-N 221.304 2.321 0 40 BEAB Cc1cc(C)cc(-n2cccc(C(=O)O)c2=O)c1 49831279 UEQAMCKPDNVISV-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB CC(=O)c1cc(Cl)ccc1O[C@@H](C)C(=O)O 50210622 ZDNSZYZGSDMGRM-ZETCQYMHSA-N 242.658 2.395 0 40 BEAB COc1ccnc(N(C)C2CCCCC2)n1 70789345 FTQXOLWRQIQLMW-UHFFFAOYSA-N 221.304 2.254 0 40 BEAB OCc1cc(C(F)(F)F)c(Cl)cn1 72190687 ILIODYMBXCJRNA-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB COC(=O)Cc1ccoc1C(F)(F)F 72207133 FJQUYAKJXPHLGH-UHFFFAOYSA-N 208.135 2.014 0 40 BEAB CCOc1ncccc1[C@H]1CCCN1C 72211825 FZYALRGLBBOCJI-LLVKDONJSA-N 206.289 2.247 0 40 BEAB CCN1CCCC[C@@H]1c1ccc(N)nc1 72212376 JXUSSEFDMWGBEN-LLVKDONJSA-N 205.305 2.211 0 40 BEAB Cc1cc(N(C)C)ncc1C1=NCCC1 72218661 CYUMAJDNVUEMNG-UHFFFAOYSA-N 203.289 2.039 0 40 BEAB CC(C)(C(=O)N1CCC1)c1ccccc1 72277087 ZOQNCTBPYURYIC-UHFFFAOYSA-N 203.285 2.197 0 40 BEAB Cn1ncc(Br)c1-c1ccccn1 84535999 DXWRELSLSCFARC-UHFFFAOYSA-N 238.088 2.245 0 40 BEAB CC[C@H](C(=O)Nc1ccc(C)cc1)N(C)C 84718758 VTABIFONLRRSGK-GFCCVEGCSA-N 220.316 2.274 0 40 BEAB CCCCCCNC(=O)c1cccn1C 84743138 DMMYOHDFCYWFGY-UHFFFAOYSA-N 208.305 2.335 0 40 BEAB Cn1cccc1-c1nc([C@@H]2CCCCCN2)no1 96001508 AOZNCPTULSCTRA-JTQLQIEISA-N 246.314 2.280 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 96062534 NVBQFSKORISUED-SGMGOOAPSA-N 232.327 2.081 0 40 BEAB CCOCC(=O)N[C@H]1CCCC[C@@H]1SCC 96456050 QJSWIDIUTOJGKL-QWRGUYRKSA-N 245.388 2.203 0 40 BEAB Cc1cccc2c1c([C@H]1C[C@@H]1N)cn2C 96509621 SBJWMBMJRQIITF-KOLCDFICSA-N 200.285 2.301 0 40 BEAB OC[C@@H](Cc1c[nH]c2ccccc12)NC1CCC1 97236292 ZVFDTXMTWYCMSZ-CYBMUJFWSA-N 244.338 2.213 0 40 BEAB Cc1ccc(C(N)=O)c(F)c1C(F)(F)F 98211548 ILMDGBNURZUOCR-UHFFFAOYSA-N 221.153 2.252 0 40 BEAB CCn1c(=N)sc2cc(F)cc(F)c21 100968379 IHDBIANSCIUQEW-UHFFFAOYSA-N 214.240 2.480 0 40 BEAB C[C@]12CC[C@@H](C[C@@H]1N)[C@@]2(C)CCC(=O)O 103612220 UFZBZBFBJHZVMJ-XPXLGCRWSA-N 211.305 2.005 0 40 BEAB CCOC(=O)CC1[C@H](C)[C@@H](C)N[C@H](C)[C@@H]1C 104124873 KZLXDLZVUUMHCG-JWISSMICSA-N 227.348 2.208 0 40 BEAB CCNC(=O)c1ccc(NCCC(C)C)c(N)c1 213317233 WPDMMLVTDXWXJY-UHFFFAOYSA-N 249.358 2.477 0 40 BEAB O=C(O)[C@H]1C[C@H]1Cc1ccc(F)cc1F 217824914 ZRXQSJZQVYCUDU-APPZFPTMSA-N 212.195 2.228 0 40 BEAB Cc1ccc([C@@H]2CNC[C@@H]2C(=O)O)c(Cl)c1 409424137 XREWDLFCKDAIMP-UWVGGRQHSA-N 239.702 2.036 0 40 BEAB O=C(OCc1ncc(Cl)cn1)c1ccccc1 575440593 VRWGXUFRXCCDKL-UHFFFAOYSA-N 248.669 2.487 0 40 BEAB Cc1nc(CN2Cc3ccc(O)cc3C2)co1 625727824 MYAMJQIHPFSHHO-UHFFFAOYSA-N 230.267 2.204 0 40 BEAB CC(C)(C)NC(=O)CC1(CC(=O)O)CCCC1 1498898 CLTLFXAYRGBIMJ-UHFFFAOYSA-N 241.331 2.326 0 40 BEAB CCCCCCOP(=O)(N1CC1)N1CC1 1583715 PZGSVJNZBQRRFQ-UHFFFAOYSA-N 232.264 2.323 0 40 BEAB CN(C)c1ccc(-c2cccc[n+]2C)cc1 1623360 KSRGFGIVEQGNKY-UHFFFAOYSA-N 213.304 2.244 0 40 BEAB O=C1CCC2(CC1)Cc1ccccc1[C@H]2O 1642163 IXTAMFDGXLKNTG-CYBMUJFWSA-N 216.280 2.406 0 40 BEAB OCCCNCc1ccc(Cl)c(Cl)c1 1657069 WIKFFALWKXCIRI-UHFFFAOYSA-N 234.126 2.465 0 40 BEAB in-vitro Nc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1 1669748 XTRBDVMERAIUOB-UHFFFAOYSA-N 249.291 2.183 0 40 BEAB Cc1cc(C(=O)NC2CCCC2)nn1C(F)F 2732459 XHVFETBWIXMSLY-UHFFFAOYSA-N 243.257 2.259 0 40 BEAB O=C(O)[C@@H]1CCCN1Cc1ccc(F)cc1F 3748012 TUKMZQWCGNQTCQ-NSHDSACASA-N 241.237 2.014 0 40 BEAB O=C1c2ccccc2C[C@]12CCCCO2 3848062 VJVGOXWCZISFMZ-CYBMUJFWSA-N 202.253 2.365 0 40 BEAB biogenic CN(C(=O)c1ccc(F)cc1)c1ccccn1 9644386 JMRDGFZNEUXSAN-UHFFFAOYSA-N 230.242 2.497 0 40 BEAB CC(C)(C)C(=O)Cn1c(=O)cnc2ccccc21 12979481 SQDUSWKSWJMUOI-UHFFFAOYSA-N 244.294 2.012 0 40 BEAB Cc1nc(C(=O)Nc2cccnc2)cs1 13680993 VAVMFBQBAHTACR-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB NCCC1CCN(Cc2ccc(F)cc2)CC1 15423976 AZXFJWSJRJRCSK-UHFFFAOYSA-N 236.334 2.387 0 40 BEAB COC(=O)[C@@]1(C)CC(F)(F)[C@]1(F)Cl 15442379 VGWGXHZRSLQQGI-VDTYLAMSSA-N 216.586 2.109 0 40 BEAB CC[C@@H](C)n1ncc(Cl)c1C(=O)O 20313825 YNGLSEGRQVBPLM-RXMQYKEDSA-N 202.641 2.206 0 40 BEAB CN(CCCCC(=O)c1cccnc1)N=O 22063503 MVHAMSMJYGCRLP-UHFFFAOYSA-N 221.260 2.048 0 40 BEAB in-vitro CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C=O 25625490 YNUVAJRGRQBLLB-DCAQKATOSA-N 212.289 2.189 0 40 BEAB C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)C 32741662 BUIGBXOADRTCPA-MRVPVSSYSA-N 227.304 2.395 0 40 BEAB CCONC(=O)c1ccc(OCC(C)C)cc1 36392594 PVSKNZJVQROGDI-UHFFFAOYSA-N 237.299 2.403 0 40 BEAB Fc1ccc(OC[C@@H]2CO2)cc1Cl 36459606 PHEDKFOYOQFXLN-SSDOTTSWSA-N 202.612 2.257 0 40 BEAB CN[C@@H](C(=O)O)c1ccc(C(C)C)cc1 37181117 NHJQWKXUUCZCQR-LLVKDONJSA-N 207.273 2.155 0 40 BEAB C[C@H](O)Cc1cccc(Br)c1 37465459 BDJVSZKLVVTCKZ-ZETCQYMHSA-N 215.090 2.372 0 40 BEAB O=C(C1CCC1)N1CCO[C@@H](c2ccccc2)C1 38569725 MRAVMIKZFZGYBB-CQSZACIVSA-N 245.322 2.387 0 40 BEAB O=C1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 39646465 YLEOMBARMPNDLK-OKILXGFUSA-N 229.323 2.425 0 40 BEAB CC(=O)c1ccc(OC2CCNCC2)cc1 39650158 VIQQHIFMUUEXLB-UHFFFAOYSA-N 219.284 2.020 0 40 BEAB CCO[C@@H](CN)c1cccc(Br)c1 43022384 AXMLUCLUVDRMIR-JTQLQIEISA-N 244.132 2.485 0 40 BEAB C[C@H]1Nc2ncccc2N[C@@H]2CCCC(=O)[C@H]12 45027514 YTKGZSXXSXNMIT-KBVBSXBZSA-N 231.299 2.045 0 40 BEAB CC(C)CCNC(=O)[C@@H]1Cc2ccccc2O1 57568156 PIOWEZVTJPIFNW-ZDUSSCGKSA-N 233.311 2.152 0 40 BEAB COc1ccc(NC(=S)C(C)=O)cc1 68572172 LCVFOSFCNOCTAD-UHFFFAOYSA-N 209.270 2.024 0 40 BEAB Cc1cc(C(=O)O)n(Cc2ccccc2F)n1 71543461 YTWRXPMYMSRVKP-UHFFFAOYSA-N 234.230 2.077 0 40 BEAB O=C(O[C@@H]1CCOC1)c1ccccc1Cl 71883866 DVBQURLAOSRSND-MRVPVSSYSA-N 226.659 2.286 0 40 BEAB C[C@H]1CNCCN1Cc1ccc(Cl)c(F)c1 71978867 DLQMXKLGPBMMKX-VIFPVBQESA-N 242.725 2.273 0 40 BEAB Cc1ccnc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72187520 SWDGEGUIBMAVCN-LBPRGKRZSA-N 247.342 2.147 0 40 BEAB COc1cc(C(=O)O)cc2oc(C)cc12 72228314 KFRZWELTSUOOAL-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@H]1C 78441176 DHDRLWQEOCDJCH-SFYZADRCSA-N 238.253 2.379 0 40 BEAB C[C@H](NC(=O)OCC(F)(F)F)C1CC1 82416869 QPSHGEXFPAVWAS-YFKPBYRVSA-N 211.183 2.073 0 40 BEAB in-vitro COc1ccc(CC2CC(C(=O)O)C2)cc1 84012434 GTWDNIVITKIBAV-UHFFFAOYSA-N 220.268 2.349 0 40 BEAB Cc1nc(C)n(Cc2nc(C)c(C)s2)n1 88509689 ATYYOWWLFLAVFY-UHFFFAOYSA-N 222.317 2.017 0 40 BEAB O=C(c1ccccn1)N1CCC[C@@H]2CCC[C@H]21 89878938 CUHFTDHMAGGXSP-WCQYABFASA-N 230.311 2.486 0 40 BEAB O=Cc1occc1-c1ccc(C(=O)O)cc1 95935403 FFRLLLWITZHGDQ-UHFFFAOYSA-N 216.192 2.457 0 40 BEAB CN(CC1CC1)C(=O)Nc1ccncc1F 95940254 KIUFSAABLNWXMY-UHFFFAOYSA-N 223.251 2.094 0 40 BEAB FC(F)Cn1ccc(N[C@@H]2CCSC2)n1 95991519 VEMLEVXGOBKVJB-SSDOTTSWSA-N 233.287 2.066 0 40 BEAB Cc1cccc(CN2CC[C@H]3C[C@@H](C)O[C@@H]3C2)n1 96046233 GDUVXQZJDDWPBZ-VNHYZAJKSA-N 246.354 2.389 0 40 BEAB O=c1cc(-c2ccccc2)nc2cc(O)ccn12 98175369 WJCPQSQVHZEYOH-UHFFFAOYSA-N 238.246 2.067 0 40 BEAB O=C(CC(=O)C(F)(F)F)c1ccc(O)cc1 100138547 XIIXPTDNSYQRHR-UHFFFAOYSA-N 232.157 2.096 0 40 BEAB C[C@H]1CC[C@@H](N[C@H](C)CC(N)=O)c2ccccc21 110697859 IBTZBNVEJUCUQT-MISXGVKJSA-N 246.354 2.479 0 40 BEAB COc1ccc(NC(=O)C2CC2)c(C)c1 112281435 HWKQXOIFRQWCBJ-UHFFFAOYSA-N 205.257 2.352 0 40 BEAB O=C(O)[C@H]1CC[C@@H](Nc2ccccc2)C1 114099952 OMPZEVZQYNKGJO-GXSJLCMTSA-N 205.257 2.352 0 40 BEAB Cc1ccc(C)c(CC(=O)Nc2cnns2)c1 189568149 ZUNRLRXXVWFHRB-UHFFFAOYSA-N 247.323 2.336 0 40 BEAB Cc1ccn2cc(-c3nonc3C)nc2c1 408719184 ABVQWXDRJOGCOI-UHFFFAOYSA-N 214.228 2.001 0 40 BEAB N=C1NN2[C@H]([CH]S[C@H]2c2ccccc2)S1 409416298 JGDLJIVBRKBASC-IUCAKERBSA-N 236.345 2.408 0 40 BEAB COC(=O)NC[C@H](OC)c1cc2ccccc2o1 575415642 MBNLKMYLRCSBLU-LBPRGKRZSA-N 249.266 2.476 0 40 BEAB Cc1nc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cs1 585379562 MOHQHQNLHFJFED-UWVGGRQHSA-N 234.324 2.385 0 40 BEAB COc1ccc(-c2cnn3c2N(C)CC3)c(F)c1 904907164 FWTYNNYFEYVBJG-UHFFFAOYSA-N 247.273 2.148 0 40 BEAB Cc1cc(C)nc(S[C@H](C)CN(C)C)n1 141435 CLPQXQQJCIDIAS-SNVBAGLBSA-N 225.361 2.136 0 40 BEAB CC(=O)c1ccc(OCc2cccc[n+]2C)cc1 387391 CNMPCMJWHCHDFJ-UHFFFAOYSA-N 242.298 2.293 0 40 BEAB CCN(CC)CC(=O)Nc1ccccc1C 1672735 DMRSJQHLNFZQHW-UHFFFAOYSA-N 220.316 2.275 0 40 BEAB CN(C)CCOCc1ccc(Cl)cc1 1679200 HZEPORCNPLMOIU-UHFFFAOYSA-N 213.708 2.418 0 40 BEAB in-vitro CCC(=O)Oc1ccccc1OC(=O)CC 1685564 RTNUFARDHKRTRJ-UHFFFAOYSA-N 222.240 2.317 0 40 BEAB O=C1CCN(CCc2ccc(F)cc2)CC1 2598112 RLCBASWXFBEVKY-UHFFFAOYSA-N 221.275 2.033 0 40 BEAB in-vitro COc1ccc(N[C@H](C)C(=O)O)cc1Cl 3163855 RFZPOOKZHCPYAM-ZCFIWIBFSA-N 229.663 2.234 0 40 BEAB Nc1nn2cc(-c3ccccc3)nc2s1 3285332 URINLJMMDZLYSE-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB in-vitro CCCNC(=O)[C@H](CC)Oc1ccccc1 4696106 FMTQZZBRSZJVCD-LBPRGKRZSA-N 221.300 2.370 0 40 BEAB Cc1ccc(CNc2ncnc3[nH]ncc23)cc1 4705834 UAWOABQCSAEVAR-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB Nc1ccccc1C(=O)Nc1cccc(O)c1 5338240 AHJRRCIZGKVLED-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB Cc1ccc(/C=C/C(=O)NCCCN(C)C)cc1 5539634 VWXALGJRAMAZCI-MDZDMXLPSA-N 246.354 2.076 0 40 BEAB CCCNC(=S)N1CCCC[C@@H]1C 6264889 LUSJGOHWJIVENI-VIFPVBQESA-N 200.351 2.145 0 40 BEAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@H]2C)c1 7801437 YRMMRZLPGIMWEW-KOLCDFICSA-N 247.294 2.376 0 40 BEAB CCNCc1cc2cc(C)ccc2nc1O 8579933 GVQGQJFGRGXSID-UHFFFAOYSA-N 216.284 2.358 0 40 BEAB CCCCC(=O)Nc1ccc(CC(=O)O)cc1 11638453 FYEQWCBRDVICKU-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1F 12916135 RQAABULGQRVVDE-KOLCDFICSA-N 221.275 2.406 0 40 BEAB NC[C@@H]1CCCN(CCc2cccc(F)c2)C1 16941943 QJIDWZVKZQJZID-ZDUSSCGKSA-N 236.334 2.039 0 40 BEAB CC[C@H](C(=O)N1CCCNCC1)c1ccccc1 19265808 VZIAMEQWGYZXFS-AWEZNQCLSA-N 246.354 2.002 0 40 BEAB COCCCNCc1ccc(F)c(F)c1 20142144 MVHXYOPDDHZZJP-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB CC[C@H](C)n1ncc(Cl)c1C(=O)O 20313829 YNGLSEGRQVBPLM-YFKPBYRVSA-N 202.641 2.206 0 40 BEAB NCC(=O)c1cccc(Cl)c1Cl 21297239 BCFLKCJIRSHEAY-UHFFFAOYSA-N 204.056 2.135 0 40 BEAB in-vitro CC(C)N(CC(=O)O)Cc1ccccc1F 32014936 WCAKQVSGXGLROQ-UHFFFAOYSA-N 225.263 2.121 0 40 BEAB CC(C)c1nc(CC(=O)NC2CC2)cs1 32487985 JOBIJMNFBDLLBB-UHFFFAOYSA-N 224.329 2.088 0 40 BEAB O=P(O)(O)OCCCCc1ccccc1 34414894 OQRFPWGGXCXBHY-UHFFFAOYSA-N 230.200 2.119 0 40 BEAB C[S@](=N)(=O)c1ccccc1Br 34428704 AQOLYXWOVMNOER-NSHDSACASA-N 234.118 2.485 0 40 BEAB O=C(OCc1ccccc1)N1O[C@H]2C=C[C@@H]1C2 38221681 MXHWWBNEOOVFRU-NEPJUHHUSA-N 231.251 2.268 0 40 BEAB CCN1CCC[C@@H]1CNC(=O)c1ccccc1C 40461887 XIWXSTYIXLKPMH-CYBMUJFWSA-N 246.354 2.209 0 40 BEAB COc1ccc(Cl)cc1C[C@@H](C)O 53784414 BUCLPMSSVLIMGC-SSDOTTSWSA-N 200.665 2.272 0 40 BEAB O=Cc1cnc(-c2ccc(F)c(F)c2)nc1 54855258 GRTWCCAOJBXYAQ-UHFFFAOYSA-N 220.178 2.234 0 40 BEAB Fc1ccccc1[C@H]1NCCn2cccc21 56894650 RCGRCTXPSVQZEH-CYBMUJFWSA-N 216.259 2.320 0 40 BEAB N[C@H](CC(=O)O)Cc1c(Cl)cccc1Cl 57956394 NEVHSDHUEZCVLZ-LURJTMIESA-N 248.109 2.338 0 40 BEAB CC[C@H](C)NC(=O)Nc1cc(C)ns1 72313512 BJQSGPMFHUHWLA-LURJTMIESA-N 213.306 2.372 0 40 BEAB CCCOc1ccc2nc3n(c(=O)c2c1)CCC3 79189284 JUMCOUGWVXKBLS-UHFFFAOYSA-N 244.294 2.132 0 40 BEAB biogenic Cc1nc2ccccc2c(C)c1CCN 82638795 IBUSFGDIMQGNPW-UHFFFAOYSA-N 200.285 2.353 0 40 BEAB CC(C)CN(CC(C)C)C(=O)NC1CC1 84511031 AVEWHVDLCFTLNJ-UHFFFAOYSA-N 212.337 2.472 0 40 BEAB Cc1ncccc1O[C@H]1CCCC[C@@H]1O 87154709 QULTXMPQCJTVSJ-JQWIXIFHSA-N 207.273 2.072 0 40 BEAB CNC(=O)c1cccc(Oc2nccs2)c1 89391977 NXLOLSFOUZHQQZ-UHFFFAOYSA-N 234.280 2.295 0 40 BEAB CC(C)[C@](C)(O)C(=O)N[C@H](C)c1ccccc1 95627580 HXXSZRVCROUSEW-RISCZKNCSA-N 235.327 2.271 0 40 BEAB CC(C)=CCN[C@H](CO)c1ccccc1 95783766 JWZQUWLVYUWCRD-CYBMUJFWSA-N 205.301 2.276 0 40 BEAB C[C@H](N)CN1CC=C(c2ccccc2)CC1 96523884 FILVYYGZXTXEBE-LBPRGKRZSA-N 216.328 2.123 0 40 BEAB Cc1nnc([C@@H](C)N(C)CCc2ccncc2)o1 97051168 CPOQCINVXIYTJH-SNVBAGLBSA-N 246.314 2.009 0 40 BEAB CNc1coc(-c2ccccc2OC)n1 100277240 VGNGYBHSISYIJQ-UHFFFAOYSA-N 204.229 2.392 0 40 BEAB N[C@@H]1C[C@]12CCc1cc(Br)ccc12 127873382 HPLZQVPAYLSJEZ-MNOVXSKESA-N 238.128 2.364 0 40 BEAB C[C@@H](NC(=O)c1ccc(O)cc1F)C1CCC1 165342871 MLBFIBXTIFSWCP-MRVPVSSYSA-N 237.274 2.450 0 40 BEAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC 195531038 JQMZCEGGYKZIQL-MXWKQRLJSA-N 213.321 2.106 0 40 BEAB C[C@@H]1Cc2c(N)c(F)cc(Cl)c2O1 218697419 IZSMEJHXQVDCAQ-SCSAIBSYSA-N 201.628 2.385 0 40 BEAB COC(=O)CCc1cc(F)cc(F)c1OC 228907058 VGAOLOBTKZQXMK-UHFFFAOYSA-N 230.210 2.079 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](CN)[C@@H]12 242687532 ULMGXBABGMHAEG-VVULQXIFSA-N 237.265 2.185 0 40 BEAB CCc1ccc(C(=S)NCCOC)cc1 408578127 VUUQJULTSMWUOS-UHFFFAOYSA-N 223.341 2.161 0 40 BEAB CC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 527534927 XGTVBHPAISRHQJ-QJPTWQEYSA-N 221.687 2.114 0 40 BEAB CC(C)CCNc1cc(-n2cccn2)ncn1 1888866380 QCPNCRGIJDAGOE-UHFFFAOYSA-N 231.303 2.120 0 40 BEAB C[C@@H](C[C@@H](C)C(=O)O)C(=O)Nc1ccccc1 345918 XPYGARPDBLWJQB-VHSXEESVSA-N 235.283 2.372 0 40 BEAB CC(C)(C)C1C[C@H](C(=O)O)C[C@@H](C(=O)O)C1 345925 XXNPTKXZIXYOFU-HTQZYQBOSA-N 228.288 2.234 0 40 BEAB Cc1cc(C)c(O)c(C(=O)CCC(=O)O)c1 1672581 FHTYKPNKGIBLRU-UHFFFAOYSA-N 222.240 2.057 0 40 BEAB CNc1nc(=O)cc(-c2ccccc2)s1 5372326 OGEVUUFPEIIWHG-UHFFFAOYSA-N 218.281 2.212 0 40 BEAB Cc1cc(C)c2c(n1)nn1c(S)cc(C)nc21 6062849 MSZPDDXWWLDAMC-UHFFFAOYSA-N 244.323 2.491 0 40 BEAB CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 11151138 ZISCLHBKOGZIOR-UHFFFAOYSA-N 235.674 2.090 0 40 BEAB Cc1cc(C)nc(Oc2cccc(N)c2)n1 11849360 ATPIVQGMGOXAFX-UHFFFAOYSA-N 215.256 2.468 0 40 BEAB FC(F)(F)Oc1ccc(O[C@@H]2CCNC2)cc1 14632295 YEEVMHLTOFWWFK-SNVBAGLBSA-N 247.216 2.326 0 40 BEAB O=C(O)c1cnccc1OCc1ccccc1 19203153 YWHFBQFGTOYWFJ-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB c1cnc2[nH]c([C@@H]3CCCNC3)cc2c1 19685976 HQXXEVXSXRYNIL-SNVBAGLBSA-N 201.273 2.030 0 40 BEAB Nc1cc(-c2ccc3c(c2)CCC3)no1 20078658 DTDNADPDZXJANA-UHFFFAOYSA-N 200.241 2.413 0 40 BEAB in-vitro CCCC(=O)Nc1cnc2c(c1)c(C)nn2C 24465006 XJHCVRIUMWXWAC-UHFFFAOYSA-N 232.287 2.015 0 40 BEAB CC1CCC(NC(=O)[C@H](C)n2cccn2)CC1 28276291 NBWOEFAJBGJGFQ-CXQJBGSLSA-N 235.331 2.139 0 40 BEAB Cn1cccc1C(=O)COc1ccccc1F 35183576 LJQKIXOYNAESKR-UHFFFAOYSA-N 233.242 2.426 0 40 BEAB CCOc1ccccc1[C@@H](CN)N1CCCC1 38827624 UULLOOXUMWEQLK-CYBMUJFWSA-N 234.343 2.181 0 40 BEAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccncc1 40506280 IEMOBKHSBXHKPK-YPMHNXCESA-N 248.326 2.218 0 40 BEAB COCOc1cnc(-c2ccc(OC)cc2)cn1 43198554 BOCPFNHJGYEABE-UHFFFAOYSA-N 246.266 2.135 0 40 BEAB c1ccc(SCC2CCNCC2)nc1 43498142 LUNGUHYSUSQDJZ-UHFFFAOYSA-N 208.330 2.173 0 40 BEAB CCNC(=O)/C=C/c1ccc(OC)c(OCC)c1 45165218 ODFJRTYHGGRABB-VQHVLOKHSA-N 249.310 2.243 0 40 BEAB CC(C)c1ncc(C(=O)O)c(N2CCCCC2)n1 49469151 NBNHVEPPDAIBFX-UHFFFAOYSA-N 249.314 2.289 0 40 BEAB c1ccc(-n2ccc([C@@H]3CCCN3)n2)cc1 49581114 WJHGWYMRTDYVBH-LBPRGKRZSA-N 213.284 2.297 0 40 BEAB CN[C@@H]1CCCN(Cc2ccccc2C)C1 53201459 GXRWMVQGGSPFGP-CQSZACIVSA-N 218.344 2.179 0 40 BEAB N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 54932933 YNTCCJKZJKQWFA-WDEREUQCSA-N 213.227 2.223 0 40 BEAB Nc1ccc2c(c1)C1(CCCC1)C(=O)N2 57937820 JQDIPXUDEHVBKN-UHFFFAOYSA-N 202.257 2.033 0 40 BEAB Nc1cc(-c2cncnc2)ccc1Cl 61692250 QNXZYHUDMPMNDU-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB COC(=O)c1c(C)cc(C)nc1Br 68675273 KLJYVQSOPHLQDS-UHFFFAOYSA-N 244.088 2.248 0 40 BEAB CC[C@H]1CCCCN1C(=O)CCn1cccn1 69452649 GMSYSRXESPTOEW-LBPRGKRZSA-N 235.331 2.064 0 40 BEAB NCCCc1cccc(OC(F)(F)F)c1 70636161 JJPWAAYKSJODDP-UHFFFAOYSA-N 219.206 2.477 0 40 BEAB CCN1C(=O)CC(C)(C)c2cc(N)ccc21 72220948 PQQFBAWLMULACO-UHFFFAOYSA-N 218.300 2.303 0 40 BEAB CC(C)(C)CCS(=O)(=O)NCC1CCC1 78696633 ORYZKBCMMUJAEV-UHFFFAOYSA-N 233.377 2.142 0 40 BEAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)CO1 83965786 WONDZQDQIYMEDF-QMMMGPOBSA-N 231.173 2.486 0 40 BEAB COC(=O)CC(=O)c1ccc(F)cc1Cl 84199423 YTGOFIOTJSUJHM-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB Cc1ccoc1C(=O)NC[C@H]1CCCS1 89701961 PYXMXKKDUKCJDB-SECBINFHSA-N 225.313 2.213 0 40 BEAB CCn1nc(C)c(C(=O)OCCSC)c1C 95405048 DNRHXCNSROJYQZ-UHFFFAOYSA-N 242.344 2.040 0 40 BEAB OC[C@H](O)c1cccc(Cl)c1Cl 95532615 SIDJPCNXLFFGDH-ZETCQYMHSA-N 207.056 2.019 0 40 BEAB in-vitro NC(=O)c1cnc2ccc(F)cc2c1Cl 96193745 KGVDBWZRNKFOEY-UHFFFAOYSA-N 224.622 2.126 0 40 BEAB Cc1nc(CN(CCCCO)C2CC2)oc1C 96421149 JOILRLCNWBCLSU-UHFFFAOYSA-N 238.331 2.028 0 40 BEAB COC(=O)CCCC(=O)N1[C@@H](C)CCC[C@H]1C 97102280 OWUKZAGUUCVYRM-PHIMTYICSA-N 241.331 2.119 0 40 BEAB Cc1ccc(CN(C)CCc2ccncc2)nc1 97375319 IODKQBKUTBYYCO-UHFFFAOYSA-N 241.338 2.460 0 40 BEAB CC(C)c1nccc(NC[C@H]2CCCO2)n1 106461818 WYYIEXMYDVQBCW-SNVBAGLBSA-N 221.304 2.191 0 40 BEAB COc1c(Cl)ccc(F)c1C(=O)O 212331071 KWAPPUIDYSPKMR-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB in-vitro C[C@@H]1C[C@H]2[C@@H](N)C[C@H](C(F)(F)F)C[C@H]2O1 225763139 DXOFCJWXXLMFIJ-ZTKNNBQKSA-N 223.238 2.080 0 40 BEAB CCOC(=N)c1c(C)cc(C)nc1S 228966072 DRIKCMOUJDSGEW-UHFFFAOYSA-N 210.302 2.349 0 40 BEAB CCOC(=O)C1(c2cc(F)ccc2OC)CC1 258315593 REUJKDHNMUEWBB-UHFFFAOYSA-N 238.258 2.429 0 40 BEAB CN(C)C(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 299754784 QOBMKVRRANLSMZ-VSSNEEPJSA-N 222.332 2.082 0 40 BEAB Cc1cccc(OC[C@H]2CCCOC2)n1 336037014 LSYKTESFNOEUPQ-NSHDSACASA-N 207.273 2.195 0 40 BEAB c1c(C2CC2)nn2c1CN([C@H]1CCSC1)CC2 575414143 GXFHZQNPWNBCCR-NSHDSACASA-N 249.383 2.082 0 40 BEAB CC1(C)[C@@H](c2ccccc2F)CCN1CCO 879638901 HJSZPHJVTSMFFL-GFCCVEGCSA-N 237.318 2.386 0 40 BEAB Nc1cc(C2CC2)nc2cc(C(F)(F)F)nn12 1548918827 JEWWWKHKBKUBSD-UHFFFAOYSA-N 242.204 2.208 0 40 BEAB CCn1nccc1-c1cccc([C@@H]2CCCN2)n1 1848355325 KIDPBFDHWBBYAH-NSHDSACASA-N 242.326 2.390 0 40 BEAB COc1nc(C)nc2c1sc(=S)n2C 117942 XENJZEYRDHAGQT-UHFFFAOYSA-N 227.314 2.076 0 40 BEAB COC(=S)NC(=O)c1ccc(Cl)cc1 345297 PZAOODQXKLKIJZ-UHFFFAOYSA-N 229.688 2.001 0 40 BEAB Cc1ccc(CSc2nc(N)cc(N)n2)cc1 422371 HEYUJRCWRXRZBS-UHFFFAOYSA-N 246.339 2.242 0 40 BEAB Cc1cc(C)c([C@H](N)CC(=O)O)c(C)c1 2586171 YNZYUBDMSGOFNW-SNVBAGLBSA-N 207.273 2.086 0 40 BEAB CNC[C@H]1CCCC[C@@]1(O)c1cccc(OC)c1 3643419 VUMQHLSPUAFKKK-UKRRQHHQSA-N 249.354 2.292 0 40 BEAB biogenic,world C[C@@H]1Cc2ccc(OCCN(C)C)cc2C1=O 4769563 GHKQNMRCFJRKKK-SNVBAGLBSA-N 233.311 2.002 0 40 BEAB O=c1[nH]c(-c2ccc(O)cc2)nc2ccccc12 5177943 HMZVOPJPTNTGGO-UHFFFAOYSA-N 238.246 2.296 0 40 BEAB biogenic,in-vitro C[C@H]1CCCC2=C1[C@@H](O)c1c(N)cccc1[C@@H]2O 5392875 FWXVQPOPJHBIEI-PVJOKMEKSA-N 245.322 2.466 0 40 BEAB COc1cccc(OCCn2cccc2C=O)c1 6674222 UEHJCAASKQBTHV-UHFFFAOYSA-N 245.278 2.388 0 40 BEAB Cc1cc(NC(=O)CN(C)c2ccccc2)no1 7589253 YNCUTIYVPCIWRC-UHFFFAOYSA-N 245.282 2.058 0 40 BEAB O=S1(=O)CCC/C1=C/c1ccccc1 8628620 BCCZOOCVWHTLCH-LUAWRHEFSA-N 208.282 2.236 0 40 BEAB O=c1cc(NC[C@H]2CCCO2)c2ccccc2o1 9053326 YYOPVRZWMGSFGG-SNVBAGLBSA-N 245.278 2.384 0 40 BEAB COCCNC(=S)c1ccc(Cl)cc1 9188151 JFKSLMSKKGVZPQ-UHFFFAOYSA-N 229.732 2.252 0 40 BEAB COc1ccc2cc3c(nc2c1)NCC3 11847799 RXPJQHXCCTXKCT-UHFFFAOYSA-N 200.241 2.211 0 40 BEAB COc1ccc(OCC[C@H]2CCCNC2)cc1 14632370 VTLNTXWIDXQCCK-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1 16603970 CFKIOTBWINBACY-ZJUUUORDSA-N 239.340 2.354 0 40 BEAB COCCNCc1ccccc1OC(C)C 19738050 WKBMCYACOABZBQ-UHFFFAOYSA-N 223.316 2.210 0 40 BEAB Cc1cccc(OC[C@H]2CN2C(C)C)c1 19853650 XSYUAWLBBBDAQW-PUODRLBUSA-N 205.301 2.466 0 40 BEAB CC(=O)NCCSCc1ccc(C)cc1 20238688 NPGOVUQHWIVQLA-UHFFFAOYSA-N 223.341 2.364 0 40 BEAB O=C(O)c1cccc(OCC2CCOCC2)c1 20357727 WDTMOJKKCMKISN-UHFFFAOYSA-N 236.267 2.190 0 40 BEAB Cc1nc2ccc(C(=O)N3CCC3)cc2nc1C 24352504 ZNZAAEDIDXNJSJ-UHFFFAOYSA-N 241.294 2.093 0 40 BEAB C[C@H](Sc1ccc(F)cc1)C(=O)N(C)C 32741663 BUIGBXOADRTCPA-QMMMGPOBSA-N 227.304 2.395 0 40 BEAB Cc1cc(CN)c(C)n1Cc1ccncc1 34936152 MAINEAWAMRRUIA-UHFFFAOYSA-N 215.300 2.007 0 40 BEAB O=Cc1ccc(OCc2ccccc2)cn1 38540502 DBGGDAAQLLDHSS-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB in-vitro COc1cc(C(=O)OC(C)(C)C)ccc1N 39320510 CCWIQTOOCXIQME-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB Brc1cccc(Cn2cncn2)c1 40448041 DYDRIZFISHUHRZ-UHFFFAOYSA-N 238.088 2.089 0 40 BEAB CCCCCNC(=O)Nc1cc(C)on1 40474197 UUIQOFXXDWVMAF-UHFFFAOYSA-N 211.265 2.295 0 40 BEAB CN(CC1CCCCC1)C(=O)[C@@H]1CCCO1 40497915 VYDUBXDLCXUBBC-LBPRGKRZSA-N 225.332 2.204 0 40 BEAB Nc1ccnn1Cc1ccc(Cl)c(F)c1 43390088 DEDZKSIRADWAFU-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB in-vitro CC(C)[C@H](C)NC(=O)NCc1ccco1 48455328 XZVWPFRLCFSOIQ-VIFPVBQESA-N 210.277 2.123 0 40 BEAB FC(F)(F)c1cccc(OC[C@H]2CCCN2)n1 51866547 RKOOENUOSXBQFB-MRVPVSSYSA-N 246.232 2.231 0 40 BEAB CNC[C@H]1C[C@H]1c1ccc(OC)c(OC)c1 54588500 VCUMKLYDJBVZEY-MNOVXSKESA-N 221.300 2.027 0 40 BEAB Cc1ccc(S(N)(=O)=O)c(-c2ccccc2)c1 60274342 TWELKPYCOOKHED-UHFFFAOYSA-N 247.319 2.309 0 40 BEAB Cc1ccc(-c2noc([C@H]3CCNC3)n2)cc1 62119513 PHIDSEQXJPYQKW-NSHDSACASA-N 229.283 2.122 0 40 BEAB COC(=O)[C@H](CN1CCCC1)c1ccccc1 70453736 BKNASUWNTMRJRJ-CYBMUJFWSA-N 233.311 2.039 0 40 BEAB Cc1occc1COC(=O)C1(C)CCOCC1 71905089 YIFNWMSUHRUSJG-UHFFFAOYSA-N 238.283 2.448 0 40 BEAB CCCNc1ccc([C@@H]2CCCN2)cn1 72213176 BROUATNQNACHCI-NSHDSACASA-N 205.305 2.328 0 40 BEAB Cc1nc(N(C)C)ccc1C1=NCCCC1 72218751 YYWOPCYSPYRWDK-UHFFFAOYSA-N 217.316 2.429 0 40 BEAB CCCO[C@@H](C)c1ccc([C@@H](N)CO)cc1 72220201 DFXQALFMJDURLV-GWCFXTLKSA-N 223.316 2.166 0 40 BEAB CCOC(=O)c1cc(C2CCCC2)[nH]n1 72233324 KVDQYBGNOOJTEM-UHFFFAOYSA-N 208.261 2.244 0 40 BEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](C)C1 74684188 GTVMJMTYAKHXRT-JTQLQIEISA-N 249.358 2.218 0 40 BEAB O=C1COCc2cc(C(F)(F)F)ccc2N1 80388065 DYDPYROSAJUOED-UHFFFAOYSA-N 231.173 2.174 0 40 BEAB C[C@@H](C(=O)O)[C@H]1CCN(Cc2ccccc2)C1 82343105 HBRSSCLTCVYAAK-YPMHNXCESA-N 233.311 2.229 0 40 BEAB CN(C)[C@H](CNC(C1CC1)C1CC1)C1CC1 89313860 DYGRBAJPFWJWTB-CYBMUJFWSA-N 222.376 2.105 0 40 BEAB COc1ccc(-c2csc(N(C)C)n2)cc1N 95097242 YDAZOWVEDYOENC-UHFFFAOYSA-N 249.339 2.467 0 40 BEAB Cc1ccoc1C(=O)N1CC[C@@H]2O[C@@H](C)C[C@H]2C1 96070518 AEBXRYRESWCADG-SRVKXCTJSA-N 249.310 2.228 0 40 BEAB CCn1c2c(cc(Br)c1=O)CCC2 96510605 WFHZOBDFUVFUSG-UHFFFAOYSA-N 242.116 2.119 0 40 BEAB CC1(C)C=C(NC[C@H]2CCCO2)CC(=O)C1 105028165 LLXNVKOYNFZVQB-GFCCVEGCSA-N 223.316 2.028 0 40 BEAB C[C@H]1CNc2nn(-c3ccc(F)cc3)c(O)c2C1 110757609 AALXGJJEBGVGPT-MRVPVSSYSA-N 247.273 2.321 0 40 BEAB Cn1nc2c(c1O)[C@H](c1cccc(Cl)c1)CN2 110757748 NVPQWGPRAMECKW-VIFPVBQESA-N 249.701 2.337 0 40 BEAB Cc1cnc([C@@H]2CCN(Cc3cscn3)C2)[nH]1 205688542 APIZUUQHYNEIHX-SNVBAGLBSA-N 248.355 2.164 0 40 BEAB CC(=O)n1c(C)c(CO)c2ccccc21 216948631 NYNHOAZBRDNHBZ-UHFFFAOYSA-N 203.241 2.102 0 40 BEAB CC(C)(C)CSCC(=O)NCC(F)(F)F 225640840 FSKRVUJYMYGNLH-UHFFFAOYSA-N 243.294 2.444 0 40 BEAB CN1[C@H]2CC[C@@H](C[C@H]3CCCCN3)[C@H]1CC2 242543509 KCZUADBBDADOPR-RFQIPJPRSA-N 222.376 2.391 0 40 BEAB C[C@@H](NC(=O)OCc1ccccc1)[C@H]1CCCO1 306657160 JPIGWYXBTLZMED-DGCLKSJQSA-N 249.310 2.480 0 40 BEAB CCO[C@H](C)n1nc(C2CC2)cc1C=O 408715586 BXHNTEIZYGLMMH-MRVPVSSYSA-N 208.261 2.128 0 40 BEAB N=C1NN2[C@H]([CH]S[C@@H]2c2ccccc2)S1 409416297 JGDLJIVBRKBASC-DTWKUNHWSA-N 236.345 2.408 0 40 BEAB Cc1nc(C)c(-c2ccnc(N(C)C)c2)o1 904850385 WRXQVOZWCIMBOW-UHFFFAOYSA-N 217.272 2.419 0 40 BEAB Cc1ncn(-c2ccc(Cl)c(F)c2)n1 2362803619 QPJAIYUJFMOQIA-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB Cc1cc(=O)n(-c2ccccc2C)c(C)n1 1622756 QTIABAXHYMHAGN-UHFFFAOYSA-N 214.268 2.158 0 40 BEAB CC[C@@H](C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 4240275 CMRZYYUYDQRCEO-RKDXNWHRSA-N 245.319 2.401 0 40 BEAB O=C(/C=C/c1ccc(F)cc1)n1cccn1 4611874 XBXRRGZHQYXUNS-QPJJXVBHSA-N 216.215 2.376 0 40 BEAB COc1cc2c(cc1OC)[C@H](N)CCC2 5369750 DYZOFLWNJVIOHA-SNVBAGLBSA-N 207.273 2.040 0 40 BEAB Cc1[nH]c(=S)n(C[C@H]2CCCO2)c1C 6498438 FZABHEWHHBCRSU-SECBINFHSA-N 212.318 2.342 0 40 BEAB in-vitro c1ccc2c(c1)CCc1c-2n[nH]c1-c1nnco1 8706580 PBFHGUIUDKUYJS-UHFFFAOYSA-N 238.250 2.225 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)c1ccccn1 12525582 LMNSOVWAZKCKQE-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CN1CCO[C@@H](CCCc2ccccc2)C1 14959282 UUBKYYWHMDTBGE-AWEZNQCLSA-N 219.328 2.340 0 40 BEAB CCOC(=O)CCC(F)CCC(=O)OCC 19735876 PWWKGLGZUBWLQC-UHFFFAOYSA-N 234.267 2.011 0 40 BEAB COc1cccc(CNC2CCC(O)CC2)c1 19918471 SOBQCXQSCDNIHQ-UHFFFAOYSA-N 235.327 2.088 0 40 BEAB in-vitro OCc1cccc(OCC(F)(F)F)c1 20031712 VIVCPZPHCLORGC-UHFFFAOYSA-N 206.163 2.120 0 40 BEAB in-vitro Fc1cccc(CNCCN2CCCC2)c1 20126732 RFKHIYDPKWYXPW-UHFFFAOYSA-N 222.307 2.011 0 40 BEAB CC[C@@](C)(C(=O)OC)N1C[C@@H](C)C[C@@H](C)C1 22123489 IMWNBBNBQVEZCR-LOWVWBTDSA-N 227.348 2.306 0 40 BEAB C[C@@H](CN1CCCCC1)N1CCCCC1 22859151 CKFAMVRZYMQMFF-ZDUSSCGKSA-N 210.365 2.347 0 40 BEAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)C1CC1 25593040 BZEWEFKNPLIEEP-MRVPVSSYSA-N 229.283 2.091 0 40 BEAB CC(C)C(=O)Nc1ccccc1CN(C)C 31232933 RXIFHTUTPXQDGF-UHFFFAOYSA-N 220.316 2.343 0 40 BEAB O=C(c1ccoc1)N1CCOc2ccccc21 33168060 GRNQYNJDCJAGMX-UHFFFAOYSA-N 229.235 2.319 0 40 BEAB CN(C)Cc1ccc(C2CCNCC2)cc1 33487518 AMKYEHRQPKZCRS-UHFFFAOYSA-N 218.344 2.215 0 40 BEAB COc1ccc2cc([C@@H](C)NCCN)ccc2c1 37712599 PMNWHCPQOTYZHQ-LLVKDONJSA-N 244.338 2.458 0 40 BEAB N[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 38539946 YALCFCBAGHMZIK-SECBINFHSA-N 242.725 2.402 0 40 BEAB CCOC(=O)c1ccc(-c2cncnc2)s1 45028421 OKAUXOMOMSHUTP-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB O=C(O)c1cccn1-c1ncccc1Cl 47844123 YCBHRBIFQKGBGR-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro CNC(=O)CCSc1ccc(F)cc1 58059865 XIXNBWBYXBTPEB-UHFFFAOYSA-N 213.277 2.054 0 40 BEAB CC(C)(C)NCc1cccc(OCC(=O)O)c1 62717048 JOILWHULWKWZEH-UHFFFAOYSA-N 237.299 2.038 0 40 BEAB CN1CCC[C@H]1c1cccc2c1OCCO2 65623895 SMLBEMKPHRELMY-NSHDSACASA-N 219.284 2.225 0 40 BEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(C)no2)c1 69592322 AWCYJSSYZUXHEV-NEPJUHHUSA-N 248.330 2.227 0 40 BEAB O=C(O)c1cncn1Cc1cccc(Cl)c1 76683523 NYANUFPUSXRSHB-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CCCc1ncc(C(=O)O[C@@H]2CCOC2)s1 78948251 YJNGKQVLUIEZEY-MRVPVSSYSA-N 241.312 2.041 0 40 BEAB CC(C)(C)[C@H](O)[C@@H](C(=O)O)c1ccccc1 82290404 YDLFOECLRCJUCM-WDEREUQCSA-N 222.284 2.262 0 40 BEAB CCCNC[C@H]1CCCN2CCCC[C@H]12 85389428 ZFTMSBRKTZIYBZ-CHWSQXEVSA-N 210.365 2.251 0 40 BEAB CC[C@](C)(NC(=O)CCC(C)(C)C)C(=O)O 95424538 GZSVDMANDQEQNY-LBPRGKRZSA-N 229.320 2.182 0 40 BEAB Cc1nc(Cn2ccc(C3CC3)n2)oc1C 95438638 VQGMPWJOFHSNNU-UHFFFAOYSA-N 217.272 2.414 0 40 BEAB COc1cc(C2([C@H](C)O)CC2)cc(F)c1F 95739172 FPOWBMBBKWESSC-ZETCQYMHSA-N 228.238 2.386 0 40 BEAB CCCC[C@H](N)C(=O)OCc1ccccc1 95929142 VHHCAGBVYBIOCK-LBPRGKRZSA-N 221.300 2.247 0 40 BEAB Oc1cccc2c(Br)n[nH]c12 95930308 ACTLRSTWPNIZLA-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB CCNCc1cnn(CC2CC(C)C2)c1 96509124 JDSWZIFDHYXJIR-UHFFFAOYSA-N 207.321 2.039 0 40 BEAB CCOC(CN1CC[C@@H](C)[C@@H]1C)OCC 97161657 PWSCTTMEOITLFC-MNOVXSKESA-N 215.337 2.116 0 40 BEAB O=C1COc2c1ccc(Br)c2F 98210848 CDJGWJMVPZKFPN-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB CC1(C)COCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 104191163 SUYLLFBMQOUJEQ-GHMZBOCLSA-N 237.343 2.060 0 40 BEAB Cc1cc(C)c(S(=O)(=O)O)c(Cl)c1 144206727 YADYJFVFECKVFW-UHFFFAOYSA-N 220.677 2.204 0 40 BEAB CC(=O)Nc1ncc(Br)cc1Cl 199570711 HQRZUQOTJGAUGP-UHFFFAOYSA-N 249.495 2.456 0 40 BEAB CC(=O)NCc1ccc([C@H]2CCCCCN2)o1 217460990 IWFONKNXPHCYAZ-GFCCVEGCSA-N 236.315 2.120 0 40 BEAB CC(C)CO[C@H](Cc1ccc(F)cc1)C(=O)O 220776290 NCIDWPMDFLZMBH-GFCCVEGCSA-N 240.274 2.494 0 40 BEAB FC(F)(F)c1ccnc(N2CCCCO2)n1 225507058 RDYNTQYZGHIZMZ-UHFFFAOYSA-N 233.193 2.027 0 40 BEAB Brc1nc(C2CCNCC2)cs1 237978049 CXDUQAIVOSDMHM-UHFFFAOYSA-N 247.161 2.373 0 40 BEAB CCCN(c1cccc(OC)c1)[C@H](C)C(=O)O 260677522 HEPVETXALFYWQA-SNVBAGLBSA-N 237.299 2.385 0 40 BEAB CCCN1C(=O)N/C(=C/c2ccc(C)cc2)C1=O 409235189 OCODIMZAADSOAJ-FMIVXFBMSA-N 244.294 2.298 0 40 BEAB Clc1cc(Br)c2n[nH]cc2n1 514253161 WIJVXDQGEXCFBK-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB FC(F)(F)c1cc([C@H]2CCCO2)[nH]n1 1740818983 LAFNUGIZXYGZNS-ZCFIWIBFSA-N 206.167 2.280 0 40 BEAB COC(=O)c1oc2ccccc2c1NC(C)=O 59900 YMZIKMLJTFRLKS-UHFFFAOYSA-N 233.223 2.178 0 40 BEAB Cn1c(C(C)(C)C)[n+](C)c2ccccc21 160394 AEXNOUKIFXDDNT-UHFFFAOYSA-N 203.309 2.300 0 40 BEAB O=C(Nc1ccc(F)cc1)c1ccncc1 361712 WSJKQVNKRSGJES-UHFFFAOYSA-N 216.215 2.473 0 40 BEAB COc1ccc(-c2nnc(Cl)o2)cc1 384331 RJPGUWVAVNXPNW-UHFFFAOYSA-N 210.620 2.399 0 40 BEAB CCNc1nc2ccccc2nc1NCC 1642637 UYTGGRJPWFSBEV-UHFFFAOYSA-N 216.288 2.493 0 40 BEAB CCCCOC[C@H](O)COc1ccccc1 1656267 WBLXZPHICYCDGN-LBPRGKRZSA-N 224.300 2.243 0 40 BEAB in-man CC[C@H]1CCCCN1C(=O)c1cc(C)no1 6738060 ATWGAIQIIIRTOU-JTQLQIEISA-N 222.288 2.388 0 40 BEAB CC(=O)c1cc(C(=O)NC2CCCCC2)n(C)c1 12874036 IHUGKNHWNQTNTA-UHFFFAOYSA-N 248.326 2.290 0 40 BEAB O=C1CCCc2nc(-c3cccnc3)ncc21 19341280 WBOBZMATEMRFBH-UHFFFAOYSA-N 225.251 2.058 0 40 BEAB COCCN[C@H](C)c1ccc(F)cc1F 19881617 ZXVDIWKMIZVBDU-MRVPVSSYSA-N 215.243 2.262 0 40 BEAB O=C(O)c1ccc(OCc2ccncc2)cc1 20281078 BZNNDTCHJWVJGP-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro CCONC(=O)Cc1cccc2ccccc12 22874456 OUBPQHXPDHXZOH-UHFFFAOYSA-N 229.279 2.450 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1CN(C)C 24809721 JWAIKRXJJRYWQJ-CMPLNLGQSA-N 232.327 2.343 0 40 BEAB NC(=S)NCc1ccc(Cl)cc1Cl 30718793 FMSBTGCVHZJGEK-UHFFFAOYSA-N 235.139 2.327 0 40 BEAB in-vitro CC(C)(C)C(=O)Oc1ccc(C=O)cc1 31975738 MQMLDVBCIFRXET-UHFFFAOYSA-N 206.241 2.451 0 40 BEAB c1ccc(-c2ccc(N[C@@H]3CCOC3)nn2)cc1 32523828 XLDBWBRTTQQEEM-GFCCVEGCSA-N 241.294 2.344 0 40 BEAB CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12 32778277 NDIYSHXLPNJZIM-UHFFFAOYSA-N 232.283 2.418 0 40 BEAB CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 32918989 ZCAKVRDVEBTZMN-GFCCVEGCSA-N 219.284 2.194 0 40 BEAB CNc1nccc(-c2cccnc2Cl)n1 35246496 SPRHXGPRWSLRNY-UHFFFAOYSA-N 220.663 2.234 0 40 BEAB Cc1cc(F)cc2c(O)c(C(=O)O)cnc12 35731169 VFSSZLNICXHDGH-UHFFFAOYSA-N 221.187 2.086 0 40 BEAB in-vitro C[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1 36383200 OERBUQKWFDTHOF-WPRPVWTQSA-N 233.233 2.260 0 40 BEAB Cc1cc(N)ccc1N1C[C@H](C)O[C@@H](C)C1 36950049 MCSWCGYAZDDPED-QWRGUYRKSA-N 220.316 2.191 0 40 BEAB CCc1cc(C(=O)O)c2cnn(C(C)C)c2n1 37288896 XGDLLVOJNGWIQW-UHFFFAOYSA-N 233.271 2.273 0 40 BEAB O=C(O)c1ccc2c(c1)CCN2C(=O)CC1CC1 37455812 JVGZGGFPBFEUQE-UHFFFAOYSA-N 245.278 2.074 0 40 BEAB CC(C)(C)c1ccc(O)c(S(C)(=O)=O)c1 39274185 MYCYMXAOGFIAHO-UHFFFAOYSA-N 228.313 2.093 0 40 BEAB CCOC(=O)c1sc2nc(N)sc2c1C 39291892 YAIUQFYBZXKIOX-UHFFFAOYSA-N 242.325 2.425 0 40 BEAB C[C@H]1C[C@@H](Sc2nccn2C2CC2)C(=O)O1 40489851 UQKIMSPKGOXMOV-IONNQARKSA-N 238.312 2.014 0 40 BEAB Cc1ncsc1C(=O)N[C@@H](C)C(C)C 40530114 OLIVELTVKFTBRS-ZETCQYMHSA-N 212.318 2.226 0 40 BEAB CC(=O)c1ccc(OCC2CCNCC2)cc1 42775795 KTIWOSHPWHYYII-UHFFFAOYSA-N 233.311 2.268 0 40 BEAB CCCOc1ccc(/C=C\C(N)=O)cc1OCC 44263379 DGRXANYWWYIMLT-VURMDHGXSA-N 249.310 2.373 0 40 BEAB Cc1ncn(-c2ccc(C=O)cc2)c1C 51927216 YVFUEVFRJZNQTA-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB CCOC(=O)c1cc(C)cc(C)c1OC 57339510 LGKOUAILMPCJPE-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB Cc1[nH]c(=O)c(C(=O)O)cc1-c1ccccc1 62182309 WJXDFYJPIUSOMT-UHFFFAOYSA-N 229.235 2.049 0 40 BEAB in-vitro Cn1cccc1C(=O)N[C@@H]1CCCc2occc21 69351049 UYWOVXVJKMPZQJ-LLVKDONJSA-N 244.294 2.426 0 40 BEAB Cc1nc(Cl)cc(N[C@H](CO)CC(C)C)n1 69848803 DPHXCMGSUZBBSX-VIFPVBQESA-N 243.738 2.257 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1O 71372403 MAONMXZZIKVZBB-NXEZZACHSA-N 229.320 2.062 0 40 BEAB in-vitro CCOC(=O)c1cc(O)c2ccc(F)cc2n1 71405472 WVWQRDIDITZSKK-UHFFFAOYSA-N 235.214 2.256 0 40 BEAB CCN(CC)c1ccc([C@H](C)N)c(C)n1 72224309 KJWSHQFTXYPIRI-VIFPVBQESA-N 207.321 2.256 0 40 BEAB COC(=O)C1=C(C)c2cc(OC)c(OC)cc2C1 72226055 PKJCBYGSMRCSNT-UHFFFAOYSA-N 248.278 2.206 0 40 BEAB CC(C)N1CCC[C@@H](c2csc(N)n2)C1 72367739 JGUBKXRVTUYDRL-SECBINFHSA-N 225.361 2.313 0 40 BEAB C[C@H]1CN(Cc2cccc(O)c2)C[C@@H](C)O1 84827839 PHPCNJRMDITAOG-PHIMTYICSA-N 221.300 2.001 0 40 BEAB Nc1ncc(F)c(Oc2ccccc2F)n1 87842326 WHKQDSCNJAVTIF-UHFFFAOYSA-N 223.182 2.129 0 40 BEAB CC[C@@H](COC)NCCc1csc(C)n1 95419971 QBCBYLCWMWRIKO-JTQLQIEISA-N 228.361 2.009 0 40 BEAB COCCC1(C(=O)N[C@H](C)C(C)(C)C)CC1 95449672 PKRVFMGVLIJDCJ-SNVBAGLBSA-N 227.348 2.354 0 40 BEAB Cc1noc(C)c1CCN1CCCCC1 95975329 BRUSPYPZZUWGER-UHFFFAOYSA-N 208.305 2.320 0 40 BEAB C[C@@H](Cc1cccnc1)OC(=O)C[C@@H]1CCCO1 95987700 AUUKXDZIAHGXJB-AAEUAGOBSA-N 249.310 2.125 0 40 BEAB CCCN(Cc1ccco1)C[C@@H]1CCCNC1 96523666 WBKDXHIFLJPJEK-CYBMUJFWSA-N 236.359 2.491 0 40 BEAB C[C@@H]1CCCC[C@@H]1CNCC1(CO)CC1 97086585 FDMZTADUSKHIMW-VXGBXAGGSA-N 211.349 2.175 0 40 BEAB CSCCn1cc(NC(=O)C(C)(C)C)cn1 97378075 JWLRPNKYCBOPRJ-UHFFFAOYSA-N 241.360 2.231 0 40 BEAB COc1ccc2nccc(N3CCOCC3)c2c1 100676773 ALIDQTXHBOCVKO-UHFFFAOYSA-N 244.294 2.080 0 40 BEAB CCCCCN1CCN[C@H]2CCCC[C@@H]21 225711562 VUAWENVOQGLHJL-STQMWFEESA-N 210.365 2.393 0 40 BEAB Cc1cc(C(=O)c2ccccc2)nc(C)n1 239563083 UMWGZHFLXVNCGR-UHFFFAOYSA-N 212.252 2.324 0 40 BEAB c1cnc([C@H]2CCCN2Cc2cncs2)cn1 257311565 UKBGVGIYIXLNOI-GFCCVEGCSA-N 246.339 2.270 0 40 BEAB Cc1cc2ncc(Br)cc2nc1O 1537958124 LBZUNBDWRXNCEF-UHFFFAOYSA-N 239.072 2.406 0 40 BEAB Cc1ccncc1-c1cnc(NC2CC2)nc1 1888856667 SRIONTQNKUHDNW-UHFFFAOYSA-N 226.283 2.421 0 40 BEAB O=C(Nc1ccccc1)Nc1ncccc1O 1096671 MUTZXOUXSQXRGW-UHFFFAOYSA-N 229.239 2.431 0 40 BEAB CCOc1ccc(OCC)c(NC=O)c1 1684607 BOSWANFYNRFFAA-UHFFFAOYSA-N 209.245 2.052 0 40 BEAB Cc1cc2ccccc2n1CCC(=O)O 4414866 OJDOEXJZNZKRBK-UHFFFAOYSA-N 203.241 2.424 0 40 BEAB in-vitro CCCNC(=O)COc1ccccc1Cl 5713888 JNDUDKQIIFKKDR-UHFFFAOYSA-N 227.691 2.245 0 40 BEAB COc1ccc(NC(=O)CSC)c(OC)c1 7307081 ZHXYBQQVGOQCTJ-UHFFFAOYSA-N 241.312 2.005 0 40 BEAB CCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 8579250 QHIMSSNWTXCKGC-UHFFFAOYSA-N 247.250 2.015 0 40 BEAB Cc1ccc(CNC(=O)NC(C)C)cc1 12973119 GDFGFLHZVIWRGS-UHFFFAOYSA-N 206.289 2.203 0 40 BEAB CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccc1C 19512445 WLLALGBZTDZJBW-BXKDBHETSA-N 220.316 2.307 0 40 BEAB in-vitro COc1ccc(S[C@@H](C)C(=O)O)cc1 19687175 KGMRFOXHSDWDKC-ZETCQYMHSA-N 212.270 2.260 0 40 BEAB in-vitro COC(=O)/C=C/c1c(C)cccc1OC 20154492 XRADJIVNIGENLJ-BQYQJAHWSA-N 206.241 2.190 0 40 BEAB Nc1cc(Cl)ccc1N1CCSCC1 20256819 MZUQCNJZUIWBAJ-UHFFFAOYSA-N 228.748 2.475 0 40 BEAB in-vitro Nc1ccc(-n2ccnc2)cc1C(F)(F)F 21959228 OXCRZVJIMYTILT-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro CC[C@@H](C)C(=O)Nc1cccc(CN)c1 22177358 XCJGXWRVOSGDDO-SECBINFHSA-N 206.289 2.130 0 40 BEAB in-vitro Oc1cccc(F)c1I 26896238 XHWGAGHBXFURTC-UHFFFAOYSA-N 237.999 2.136 0 40 BEAB CCC(=O)Nc1ccc(-n2ccnc2)cc1 30608416 GEAVQABWXNCJED-UHFFFAOYSA-N 215.256 2.221 0 40 BEAB CC[C@@H](C)N[C@H](C)c1nnc2ccccn12 36968964 IHBFLTPESZBDKW-NXEZZACHSA-N 218.304 2.178 0 40 BEAB in-vitro Clc1cc(NCc2cccnc2)ncn1 42784035 DJWINMRNCRGELU-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB CCc1noc(CN2CCc3sccc3C2)n1 44897072 DRWAROWQRKUEMH-UHFFFAOYSA-N 249.339 2.252 0 40 BEAB CC(C)(C)[C@@H]1CCCC[C@H]1NS(C)(=O)=O 46801568 NPEKXVTWBDQQLV-NXEZZACHSA-N 233.377 2.141 0 40 BEAB NCCCNc1cccc(C(F)(F)F)c1 53712852 HUYFCKLROMLURG-UHFFFAOYSA-N 218.222 2.466 0 40 BEAB CCOC(=O)NC[C@](O)(c1ccccc1)C1CC1 70965715 SICNZGUXMNVRAX-AWEZNQCLSA-N 249.310 2.030 0 40 BEAB CCC(N)(CC)c1nc2c(c(=O)[nH]1)CCCCC2 71804035 AGWFTYPKOFGZHR-UHFFFAOYSA-N 249.358 2.013 0 40 BEAB Cc1cnc(C(=O)N(C)[C@H](C)c2ccco2)cn1 71867023 WYEAPGIPKGLAAJ-SNVBAGLBSA-N 245.282 2.211 0 40 BEAB Cc1cccnc1NCc1cn(C)nc1C 72226658 QJAZXTIVRZYKCD-UHFFFAOYSA-N 216.288 2.044 0 40 BEAB CN1C[C@H](c2ccccc2)C2(CCNCC2)C1 72389373 JTCAIIRJIBHROI-CQSZACIVSA-N 230.355 2.085 0 40 BEAB C/C=C/CCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C 73726562 FTRNHXYITFKIOM-BRAIEQGRSA-N 249.358 2.288 0 40 BEAB CCCCN(C(=O)c1ccc(C)[nH]c1=O)C1CC1 75119559 XHEZDRFZVLPLSG-UHFFFAOYSA-N 248.326 2.088 0 40 BEAB Fc1ccc(Cl)cc1OC[C@H]1CO1 75880998 JPBVGZHUDCYVEV-SSDOTTSWSA-N 202.612 2.257 0 40 BEAB CCOc1ccc(Cl)cc1CCO 83231055 FNPFFMFOAJOLPQ-UHFFFAOYSA-N 200.665 2.274 0 40 BEAB Cc1ncsc1C(=O)N1C[C@@H]2CC=CC[C@H]2C1 89565383 HBCWDHGFWLMXHF-QWRGUYRKSA-N 248.351 2.490 0 40 BEAB Clc1cc(Cl)nc(N2CCOCC2)c1 91365842 DEAXCAUYSPNKPN-UHFFFAOYSA-N 233.098 2.225 0 40 BEAB Cc1ccnc(N2C[C@H]3CC=CC[C@@H]3C2)n1 95403292 LUDGTJPRFHDHSF-VXGBXAGGSA-N 215.300 2.187 0 40 BEAB Cc1cc(C(=O)CSCC(=O)O)ccc1F 95634376 JOBGUPVNPIOUQT-UHFFFAOYSA-N 242.271 2.135 0 40 BEAB CCOC(=O)C(=O)c1ccc(OC(F)F)cc1 95634640 WGGDXZYBQGKLSX-UHFFFAOYSA-N 244.193 2.034 0 40 BEAB COC[C@@H](C)N(C)c1ncnc2sccc12 95951834 QCQGTOQHCHDZIX-MRVPVSSYSA-N 237.328 2.162 0 40 BEAB O=C(CO)N[C@H](CC1CCC1)c1ccccc1 96496664 KCTYEIHMPMYFGE-CYBMUJFWSA-N 233.311 2.026 0 40 BEAB C[C@@H]1CN(Cc2ccc(O)cc2)CCS1 97104753 NKJGLUDNEJRGNU-SNVBAGLBSA-N 223.341 2.330 0 40 BEAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccccc1)C2 100470513 WXYVEMXFBWGVFO-KBPBESRZSA-N 244.338 2.042 0 40 BEAB C1=CC[C@@H]([C@@H]2OC[C@H](CN3CCCC3)O2)CC1 101889250 DOIMBTOKESEEMG-HZSPNIEDSA-N 237.343 2.180 0 40 BEAB CC(C)Oc1cc(F)c(CO)c(F)c1 142693790 IXGNAPHWTAIISM-UHFFFAOYSA-N 202.200 2.244 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCO)C1 149646709 MCKPDOKMSMTHGK-VHSXEESVSA-N 229.320 2.062 0 40 BEAB Nc1ccc(C2(C(=O)N3CCCCC3)CC2)cc1 158770230 USPFIMPFYOTBOD-UHFFFAOYSA-N 244.338 2.313 0 40 BEAB Cc1ncc(-c2nnc(-c3ccco3)o2)cn1 216613373 HFRCVDZCZMIMSB-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)O 217037382 SRXIHLBTCDMUHL-FZMZJTMJSA-N 232.279 2.428 0 40 BEAB O=C(O)[C@H]1CCC2(C1)SCCCS2 217905308 PJKRPIWBXSBWNX-ZETCQYMHSA-N 218.343 2.438 0 40 BEAB CCOC(=N)c1ccc(N)c(Br)c1 228917705 BVJZMZNAEAYJAW-UHFFFAOYSA-N 243.104 2.393 0 40 BEAB CC[C@]1(C)C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 256054226 VMWKUNWKNWCOQY-NEPJUHHUSA-N 243.303 2.155 0 40 BEAB COCC(=O)N[C@H](C)Cc1cc2ccccc2o1 390826049 ALWZLKQVTDNSDA-SNVBAGLBSA-N 247.294 2.126 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCC[C@H]2O)C1 606301650 TUWRBBZCLANCBP-SNVBAGLBSA-N 241.331 2.158 0 40 BEAB O[C@@]1(C(F)(F)F)CCCc2cccnc21 716231742 PSEBVTDNBYLYKF-VIFPVBQESA-N 217.190 2.168 0 40 BEAB Cc1nc(C(C)C)sc1N1CCCNCC1 1888844469 QBODFOSXWLOUET-UHFFFAOYSA-N 239.388 2.375 0 40 BEAB CC(=O)Oc1ccc(C(=O)NCCC(C)C)cc1 30404 FOWKAGYPVSTIIB-UHFFFAOYSA-N 249.310 2.388 0 40 BEAB CCCC(=O)Oc1ccc(C(=O)OC)cc1 149522 IBQDIVVPYSCTQV-UHFFFAOYSA-N 222.240 2.179 0 40 BEAB biogenic CC(C)NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 167278 DURSMUSFOOJCSV-KGLIPLIRSA-N 237.343 2.297 0 40 BEAB CCC(CC)c1nnc(NC(=O)COC)s1 804709 WXUXOJZIHHAWME-UHFFFAOYSA-N 243.332 2.027 0 40 BEAB CC[C@@]1(c2ccccc2)S[C@@H](C)C(=O)NC1=O 1752243 JYTPRLZRIWGPBD-ZANVPECISA-N 249.335 2.070 0 40 BEAB COc1cc2c(cc1O)[C@H](O)CCCC2 2032451 FFQWICNPGKKCPH-SNVBAGLBSA-N 208.257 2.161 0 40 BEAB O=C1NN[C@@H](c2ccccc2)c2ccccc21 2048025 AUJMOIDYBYCZKW-ZDUSSCGKSA-N 224.263 2.024 0 40 BEAB CC[C@@H](C)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 2504848 CMRZYYUYDQRCEO-BDAKNGLRSA-N 245.319 2.401 0 40 BEAB CCC[C@H](C)N[C@H](C)C(=O)NC1CCCC1 3338037 HZNSQZSYXOESAW-WDEREUQCSA-N 226.364 2.212 0 40 BEAB O=C1C[C@@]2(c3ccccc3)CCCCC2=NN1 4758455 GSULRLDWYCGBFQ-CQSZACIVSA-N 228.295 2.374 0 40 BEAB C[C@@H](SC(=S)N1CCCCCC1)C(=O)O 4832263 IYNFJAREUQGZPT-MRVPVSSYSA-N 247.385 2.354 0 40 BEAB CCN(CC)C(=O)NCc1ccccc1 5194243 SNQCHPCXUKRNCU-UHFFFAOYSA-N 206.289 2.238 0 40 BEAB O=C(NCCc1cccnc1)Nc1ccccc1 12539531 YNCBGPBSZWXJOS-UHFFFAOYSA-N 241.294 2.446 0 40 BEAB CCCOC(=O)/C=C(/Cl)C(=O)OCCC 17107786 VTUCYQFUIWDWJL-BQYQJAHWSA-N 234.679 2.016 0 40 BEAB N[C@@H]1CCCC[C@@H]1Oc1ccccc1F 19269876 QBRPQUPDBWIVMU-PWSUYJOCSA-N 209.264 2.474 0 40 BEAB in-vitro COc1ccc([C@@H](O)c2ccc(N)cc2)cc1 19780079 JHZVAEWIMYRJRO-AWEZNQCLSA-N 229.279 2.359 0 40 BEAB COCCNCc1cc2ccccc2o1 20085560 XYLMEVHGHKCVHB-UHFFFAOYSA-N 205.257 2.169 0 40 BEAB O=C(O)[C@H]1CCN(Cc2ccc(Cl)cc2)C1 20357909 NRHVNQHBVQJPNQ-JTQLQIEISA-N 239.702 2.247 0 40 BEAB Nc1ccc(N2CCCC2=O)cc1C(F)(F)F 21955086 OAJMJFPSTOFBOZ-UHFFFAOYSA-N 244.216 2.414 0 40 BEAB COc1ccc(C)cc1NC(=O)C1CCOCC1 25133903 CHKJRNBUGYJXGK-UHFFFAOYSA-N 249.310 2.369 0 40 BEAB O=C(O)c1cc(-c2ccc(F)cc2F)no1 26515091 KSVDLUJUAIVOLU-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB CCC(CC)C(=O)NCc1c(C)nn(C)c1C 32611254 DSNNOTJDANYIQW-UHFFFAOYSA-N 237.347 2.089 0 40 BEAB Cc1n[nH]c(C)c1-c1cccc(C(=O)O)c1 33428498 JUMMUZIWYCEJRA-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB O[C@H]1CCCC[C@@H]1n1cc(Br)cn1 38054719 GJHKMCHQSPMGNB-IUCAKERBSA-N 245.120 2.122 0 40 BEAB Cc1ccc(C)c(-c2csc(CC(N)=O)n2)c1 40467853 KXXFXCDNCKHZQR-UHFFFAOYSA-N 246.335 2.455 0 40 BEAB CC(C)c1noc(C2(N)CCCCC2)n1 41032794 FWAODKJLHBKEAH-UHFFFAOYSA-N 209.293 2.311 0 40 BEAB CCOC(=O)c1ccc(OC)c(C)c1C 43503524 IZTQDIXDDBLLIC-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB CCOC(=O)c1sc2ccncc2c1N 44831949 FCUBMCXQOVJZFT-UHFFFAOYSA-N 222.269 2.055 0 40 BEAB in-vitro CN(Cc1ccncc1)C(=O)C[C@H]1C=CCC1 46044978 ZFCDCQOUSCEXNB-LBPRGKRZSA-N 230.311 2.396 0 40 BEAB CCNC(=O)c1cc2cc(OC)ccc2nc1C 48693771 SMJCDQMSAXDOJJ-UHFFFAOYSA-N 244.294 2.302 0 40 BEAB COC(=O)CCN1CC[C@H](c2ccccc2)C1 50266856 PJDQHLLMBMEADQ-ZDUSSCGKSA-N 233.311 2.039 0 40 BEAB C[C@@H](Cc1ccc(F)cc1F)C(=O)O 50885439 AIGQKQFFVKEHOL-LURJTMIESA-N 200.184 2.228 0 40 BEAB Cc1ccnc(SCC[C@H]2CCCCN2)n1 51332218 RMSRUMOGLNDJGX-LLVKDONJSA-N 237.372 2.409 0 40 BEAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C)o1 53366158 FVJKGWIZPAXWOU-ONGXEEELSA-N 221.300 2.424 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCOCC1 58230703 QVDCHSZTIPFJNY-ZYHUDNBSSA-N 225.332 2.108 0 40 BEAB CSCC(=O)NCCC1=CCCCC1 60781879 MZJHTJYIYHWSOH-UHFFFAOYSA-N 213.346 2.356 0 40 BEAB CCOCCOc1cc(C)c(N)cc1C 62997827 VFRQXZBVPCDBMW-UHFFFAOYSA-N 209.289 2.301 0 40 BEAB CCNC(=O)N1C[C@@H](C)Cc2ccccc21 75128076 BTMVOWVZBFEJEL-JTQLQIEISA-N 218.300 2.415 0 40 BEAB COc1ccc(C)cc1Nc1nc(C)cc(N)n1 75156683 FLWWXSARMCCDNX-UHFFFAOYSA-N 244.298 2.428 0 40 BEAB C[C@H]1CCC[C@H](C(=O)OCc2cnn(C)c2)C1 76871830 HSFNQUKCFDYQPY-JQWIXIFHSA-N 236.315 2.290 0 40 BEAB CCOC(=O)[C@H]1CCOc2ccccc21 77475971 CMKMUDNVLRUFKH-JTQLQIEISA-N 206.241 2.116 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC(=O)C[C@H]1C=CCC1 79110006 YVHDZSLHMGJAGE-OUCADQQQSA-N 237.343 2.010 0 40 BEAB O=C(CC1CC1)N1CCc2ccccc2C1 82268450 IAHFPURCPYTIEG-UHFFFAOYSA-N 215.296 2.371 0 40 BEAB NCCc1ccc(OCC2CCC2)cc1 83837805 LWUHQEHUZABVJP-UHFFFAOYSA-N 205.301 2.367 0 40 BEAB COc1ccc(Cn2cccc2CO)cc1 85588431 ADZIQPDMFVLAJG-UHFFFAOYSA-N 217.268 2.037 0 40 BEAB C[C@H]1C[C@@H](Sc2ccccc2O)C(=O)O1 89920148 GJQSZGMWFDYFGG-OIBJUYFYSA-N 224.281 2.188 0 40 BEAB CCOC(=O)C(=O)Sc1cccc(C)c1C 95731166 MXKLCKOKZMDRMC-UHFFFAOYSA-N 238.308 2.485 0 40 BEAB C[C@@H](NCCCOc1ccccc1)[C@@H]1CCOC1 95967191 AHNOHUDEUREWOF-ZIAGYGMSSA-N 249.354 2.470 0 40 BEAB Cc1ccc(CNc2cc(C)on2)nc1 95992258 IULGUIMZOQTDDP-UHFFFAOYSA-N 203.245 2.299 0 40 BEAB C[C@H](O)C(=O)NC1(Cc2ccccc2)CCCC1 97113272 RAUMGKQAWQJBKF-LBPRGKRZSA-N 247.338 2.039 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN1CCOCC1 97164467 DDVTUKKNNUWHBI-QWHCGFSZSA-N 209.333 2.311 0 40 BEAB O=C(O)c1ncc(OC(F)F)cc1Cl 98180030 OBWSTQFVHUFLIY-UHFFFAOYSA-N 223.562 2.035 0 40 BEAB OC1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 104186365 ZLLCWMLUVPYBOZ-JZAFDWRXSA-N 248.366 2.046 0 40 BEAB CC(C)NC(=S)Nc1cccc2cnncc12 107901286 CSSMDYUHZLRGEQ-UHFFFAOYSA-N 246.339 2.325 0 40 BEAB O=Cc1ccccc1Oc1ncccn1 147885216 QWSVZSZPDKEWNW-UHFFFAOYSA-N 200.197 2.081 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CN1CCC(O)CC1 191040285 DXDMRISQCGCOKA-TZMCWYRMSA-N 223.360 2.436 0 40 BEAB CCn1cc(OC(=O)c2cccs2)cn1 191997903 QTUURJIESWTROF-UHFFFAOYSA-N 222.269 2.184 0 40 BEAB COc1ccc(-c2nnc3n2CCCC3)cc1 192661140 GBPNFVHNEYKDKR-UHFFFAOYSA-N 229.283 2.290 0 40 BEAB Cc1ccc2cc(C)c(N(C)N)nc2c1 199550350 KCWRTUOVDQSRHQ-UHFFFAOYSA-N 201.273 2.162 0 40 BEAB O=C(O)c1ccc(CC2C[C@@H]3CC[C@H](C2)N3)cc1 205680648 SBZLPEOHUITAJO-QXMXGUDHSA-N 245.322 2.458 0 40 BEAB Cc1c(O)cc(C(=O)O)cc1Br 212761177 VPYSJQGETIIWSO-UHFFFAOYSA-N 231.045 2.161 0 40 BEAB CNCc1c(F)ccc(OC)c1Br 217596772 JPARFJMOWZRCMJ-UHFFFAOYSA-N 248.095 2.316 0 40 BEAB CC[C@@H](C(=O)O)N(CC)c1ccccc1OC 224996928 BNQYOZBKRHHKDN-JTQLQIEISA-N 237.299 2.385 0 40 BEAB CCn1cnc2cc(C(=O)OC)c(Cl)cc21 225727294 CUQVEANTIBYJAT-UHFFFAOYSA-N 238.674 2.496 0 40 BEAB COc1cc(Cl)c(C(=O)O)cc1NC(C)=O 225731649 WWCRQWVXXXTYDT-UHFFFAOYSA-N 243.646 2.005 0 40 BEAB Cc1cn(C)c([C@H]2CCCN2C2CCOCC2)n1 257217746 DAKDCPADMDIFSH-CYBMUJFWSA-N 249.358 2.044 0 40 BEAB CCn1nc(N)cc1COc1cccc(F)c1 257863850 CPBFIAUHGWLKSL-UHFFFAOYSA-N 235.262 2.203 0 40 BEAB CCc1nnc(N2CCc3ccsc3C2)n1C 572765607 XJLYUARPOZLZNX-UHFFFAOYSA-N 248.355 2.002 0 40 BEAB CSc1cccc(C(=O)N2C[C@H]3C[C@H]2CO3)c1 575607065 KCVBFEQONZLWPC-WDEREUQCSA-N 249.335 2.022 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@](F)(CO)CC1 953122121 DGZVNFLXPGHEHF-OTCDBFHCSA-N 247.310 2.154 0 40 BEAB CC[C@]1(C)OC(=O)N(Cc2ccco2)[C@]1(C)O 62833 DKQKKPIIGYHBSB-NWDGAFQWSA-N 239.271 2.109 0 40 BEAB CCC(=O)N1CCCn2c1nc1ccccc12 292901 ZNEHTISZFFFCGE-UHFFFAOYSA-N 229.283 2.183 0 40 BEAB Cc1ccc(OCC(=O)Nc2cc(C)on2)cc1 364954 FWJPNCNKTXUHCX-UHFFFAOYSA-N 246.266 2.309 0 40 BEAB CCO[C@@H](CN(C)C)C(Cl)(Cl)Cl 1557941 FZCUAQVZBBAPEK-LURJTMIESA-N 234.554 2.323 0 40 BEAB [O-][n+]1ccccc1[C@@H](O)CSc1ccccc1 1573680 DWJKPXUEFBGMBG-ZDUSSCGKSA-N 247.319 2.146 0 40 BEAB CCOP(=O)(OCC)[C@@H](N)C(C)C 1707652 UUSMBCSSWVSVGA-MRVPVSSYSA-N 209.226 2.193 0 40 BEAB Clc1ccc(OCCOC[C@@H]2CO2)cc1 2454845 OJQIRZPGAUHQII-LLVKDONJSA-N 228.675 2.134 0 40 BEAB in-vitro CC(=O)n1cc(-c2nc3ccccc3o2)cn1 3159016 KBNQARFNUZEIKY-UHFFFAOYSA-N 227.223 2.351 0 40 BEAB CN(C)CC(C)(C)CN[C@H]1C[C@H]2CC[C@@H]1C2 4011193 CZHRBWQKUXXMKV-XQQFMLRXSA-N 224.392 2.352 0 40 BEAB CC(=O)OC[C@@]1(C)COc2ccccc2S1 5378753 SCMKSNUQGOFWCO-LBPRGKRZSA-N 238.308 2.493 0 40 BEAB CCOc1ccccc1-c1cc(C(=O)O)n[nH]1 6848481 AEWKKBWNUCOEAA-UHFFFAOYSA-N 232.239 2.174 0 40 BEAB Cc1ccc(-c2cnc(CCN)o2)cc1 11587005 XZYMNYKIMZYTDS-UHFFFAOYSA-N 202.257 2.151 0 40 BEAB CC(C)CCNC(=S)NCc1ccco1 13821218 AGCSYXCUAAYZBG-UHFFFAOYSA-N 226.345 2.290 0 40 BEAB O[C@@]1(c2ccc(F)cc2)CCC[C@H]2CNC[C@@H]21 13997963 KADNKMBDWLQVRJ-LEWSCRJBSA-N 235.302 2.033 0 40 BEAB Cc1c(C(N)=O)oc2c1C(=N)CC(C)(C)C2 16778528 XMLUOTIMUMIVGT-UHFFFAOYSA-N 220.272 2.027 0 40 BEAB CCOC(=O)/C=C\c1ccccc1OC 17197584 ATAFSLBAINHGTN-HJWRWDBZSA-N 206.241 2.272 0 40 BEAB COCCNc1ccc(-c2ccc(F)cc2)nn1 20717376 LVKUDTLDAPORAM-UHFFFAOYSA-N 247.273 2.341 0 40 BEAB O=C(O)/C=C\c1c(F)ccc(F)c1F 33374094 OLYDUMMUGMYVHJ-RJRFIUFISA-N 202.131 2.202 0 40 BEAB COC(=O)c1ccc(-c2ccc(C)cc2)[nH]c1=O 34300594 IUYCAJFEIYAJEX-UHFFFAOYSA-N 243.262 2.137 0 40 BEAB NC(=S)Nc1ccccc1N1CCCCC1 34741665 JFXFQLTTXMZHBM-UHFFFAOYSA-N 235.356 2.332 0 40 BEAB Cc1ccc(-n2nc3ccccc3nc2=O)cc1 34925148 MOJXEVSPGVWYRH-UHFFFAOYSA-N 237.262 2.089 0 40 BEAB c1cc(-c2ccc3c(c2)OCCCO3)n[nH]1 36047724 NDWLRMUFBIDCLM-UHFFFAOYSA-N 216.240 2.238 0 40 BEAB Cc1nc2cc(F)cc(C(=O)O)c2nc1C 36379607 HRAZJYRYYFOCNQ-UHFFFAOYSA-N 220.203 2.084 0 40 BEAB in-vitro Cc1n[nH]cc1CNC(=O)Nc1ccccc1F 37991348 DWWHWWAGOPIGJQ-UHFFFAOYSA-N 248.261 2.179 0 40 BEAB CCOC(=O)c1coc2c1C(=O)C[C@@H](C)C2 38701094 VXHJLQZUUMVPPY-SSDOTTSWSA-N 222.240 2.221 0 40 BEAB COc1ccc(C(F)F)cc1C(=O)O 40449174 LKPOPZKPGMWGKC-UHFFFAOYSA-N 202.156 2.331 0 40 BEAB CCO[C@H](C)C(=O)N1CCC[C@@H](CC)C1 40534000 KQPNHULJUJXFBJ-GHMZBOCLSA-N 213.321 2.060 0 40 BEAB Fc1ccccc1-c1nc(C2CCNCC2)no1 41298914 NZQOLQGSVXUGIC-UHFFFAOYSA-N 247.273 2.343 0 40 BEAB O=C(Nc1ccn[nH]1)OCc1ccccc1 42413925 MPMXOEDZCABCNK-UHFFFAOYSA-N 217.228 2.158 0 40 BEAB Fc1cccc(N2CCCSCC2)n1 42445172 TUTAEVVBNYPNPH-UHFFFAOYSA-N 212.293 2.164 0 40 BEAB in-vitro O=C(O)/C=C/c1cc(F)c(F)c(F)c1F 44201193 ZWCJZKCEUJXHOD-OWOJBTEDSA-N 220.121 2.341 0 40 BEAB Cc1ccccc1CN1CCOC[C@@H]1C 46774425 GSPLNZGYCVYVPD-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB Cc1nc(-c2ccco2)ccc1C(=O)O 47844252 SYCIAVUQVWZODV-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro Cc1ccc([C@H](C)NC(=O)NC2CC2)o1 48844582 OUBNSLGWOHBRJA-QMMMGPOBSA-N 208.261 2.111 0 40 BEAB CNc1cc(CN(C)Cc2ccco2)ccn1 52720414 DYZGIDBOFUZBPT-UHFFFAOYSA-N 231.299 2.348 0 40 BEAB CC[C@H](C)N(C)C(=O)Cc1cccc(N)c1 52922391 HBMGJOMRCYQUPK-JTQLQIEISA-N 220.316 2.068 0 40 BEAB CSc1ncc(CNCc2ccco2)cn1 62717238 XRQLQZGOJOWAHV-UHFFFAOYSA-N 235.312 2.081 0 40 BEAB Fc1ccc(-c2nc(C3CCNCC3)n[nH]2)cc1 64875545 YPOFXKKWXUGGTP-UHFFFAOYSA-N 246.289 2.078 0 40 BEAB Cc1cccc2c1NC1(CCCC1)NC2=O 69351859 UHTIDEIXZJULKR-UHFFFAOYSA-N 216.284 2.421 0 40 BEAB CC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 69476397 HGJKZGGZDSJORL-SECBINFHSA-N 227.304 2.223 0 40 BEAB in-vitro Cc1cc([C@H]2CCCN2C(=O)c2ccc[nH]2)no1 69510604 SPNHLPRTDKKDLO-GFCCVEGCSA-N 245.282 2.288 0 40 BEAB O=C(O)[C@H]1CCCN(Cc2ccc(F)s2)C1 71792031 OSHBYUMQZAKDMY-QMMMGPOBSA-N 243.303 2.184 0 40 BEAB CCN1CCC[C@@H]1c1cccnc1NC 72212527 LNAQVJAURCUJIK-LLVKDONJSA-N 205.305 2.280 0 40 BEAB O=C(NCC[C@@H](O)c1cccs1)C1CCC1 77113068 LZEDSYSWQGNSMZ-SNVBAGLBSA-N 239.340 2.088 0 40 BEAB C[C@@H](Oc1ncccc1C(=O)O)C(F)(F)F 85421425 KHLUBIQGNSAIDB-RXMQYKEDSA-N 235.161 2.109 0 40 BEAB COC(=O)C12CC(CCN1Cc1ccccc1)C2 95742859 VZONIRHOBLKYJS-UHFFFAOYSA-N 245.322 2.214 0 40 BEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccncc2)C1(C)C 96414163 UKWSCCYCUSBBMX-VXGBXAGGSA-N 248.326 2.015 0 40 BEAB CC(=O)NC12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 100069804 SANVSQCVSVDXSG-ZSVAQUKISA-N 207.317 2.481 0 40 BEAB in-vitro C[C@]1(CCC(=O)O)[C@H]2CC[C@@]1(C)C(=O)C2 101320933 YMCGZMYNZAJAAY-UWJYBYFXSA-N 210.273 2.247 0 40 BEAB COC(=O)c1c(Br)cccc1C=O 146057412 DZGUEAGZHYBMJT-UHFFFAOYSA-N 243.056 2.048 0 40 BEAB CCOC(=O)c1cccc(O)c1Cl 199818016 BJRWARWQJAZJSJ-UHFFFAOYSA-N 200.621 2.222 0 40 BEAB CC[C@@H](C)n1nccc1CNC[C@@H]1CCCO1 256051102 HSCYJSXBRXJCHC-YPMHNXCESA-N 237.347 2.123 0 40 BEAB CC(C)n1c(S)nc2cccc(F)c2c1=O 1775968258 ASINKXFNLCWPRY-UHFFFAOYSA-N 238.287 2.405 0 40 BEAB CC(=O)Nc1c(F)cc(N)cc1Cl 152768 BRBJEVPAGDWZTL-UHFFFAOYSA-N 202.616 2.020 0 40 BEAB Cc1ccc(Nc2nnns2)c(C)c1 171873 TWSJVASQYSQZOP-UHFFFAOYSA-N 206.274 2.294 0 40 BEAB CC(C)CCNS(=O)(=O)c1ccccc1 362720 MHPUMJGHGCVYGF-UHFFFAOYSA-N 227.329 2.011 0 40 BEAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccn1 477659 YQTXMNCGPWCMHN-NSHDSACASA-N 242.278 2.488 0 40 BEAB COC(=O)CCN1CCCC[C@@H]1c1cccnc1 517625 LILGHMLCASYUAH-CYBMUJFWSA-N 248.326 2.172 0 40 BEAB biogenic O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccco1 581804 BJAKPGOJIDRMHT-AEJSXWLSSA-N 205.257 2.198 0 40 BEAB O[C@@H](c1ccccc1)[C@H](O)Cc1ccccc1 1589749 NCCYBEZNRYYHRY-CABCVRRESA-N 228.291 2.324 0 40 BEAB biogenic O=C(Nc1nnc(C2CC2)s1)c1ccco1 3552743 JHIZJFHSCGTTFR-UHFFFAOYSA-N 235.268 2.261 0 40 BEAB C[C@H]1CCCC2=C1[C@@H](O)c1cccc(N)c1[C@@H]2O 5392879 MCDCWSCFBGBCNF-UFTIBIJLSA-N 245.322 2.466 0 40 BEAB O=C(O)CCOc1ccc2c(c1)CCC2 11799525 GKFJCUQVJAVBCW-UHFFFAOYSA-N 206.241 2.029 0 40 BEAB Cc1cccc([C@H]2CCCN2CC(=O)O)c1 12397309 ALCVBOUDRXNVHF-GFCCVEGCSA-N 219.284 2.217 0 40 BEAB Cc1ccc(-c2nc(CCN)co2)cc1 12506110 CPQIPXOEJSZOSQ-UHFFFAOYSA-N 202.257 2.151 0 40 BEAB in-vitro Cc1ccccc1SCC(=O)N1CCC1 12973782 HVSIIDFEQAPFDG-UHFFFAOYSA-N 221.325 2.319 0 40 BEAB O=C(NCCc1cccc(F)c1)c1ccco1 12976869 RPQMQPHATPNVPJ-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB CC[C@H](C)NC(=O)Cc1cccc(OC)c1 13008574 NTHDDZUJEPQVCE-JTQLQIEISA-N 221.300 2.152 0 40 BEAB Cc1ccc(CNCCN2CCCC2)cc1 20126736 KZLUNGOQTPHFHT-UHFFFAOYSA-N 218.344 2.180 0 40 BEAB Cc1cnc(C(=O)N[C@H](C)c2cccs2)cn1 21359013 MPYYMUHXZXBKBC-SECBINFHSA-N 247.323 2.338 0 40 BEAB CSCC(=O)N[C@@H]1CCc2ccccc21 25398375 WXTZYVIXHUWMQW-LLVKDONJSA-N 221.325 2.153 0 40 BEAB CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C)c1 27530728 MOVSRPSDHAXDHY-SECBINFHSA-N 245.319 2.211 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 31257109 JABPLQKEBIBPDY-ZETCQYMHSA-N 234.255 2.106 0 40 BEAB CCN(CC)C(=O)[C@H]1COc2ccccc2C1 32784531 PFODEYDKGWMRBT-GFCCVEGCSA-N 233.311 2.106 0 40 BEAB CC(C)CN[C@H](C)c1nnc2ccccn12 35044276 SRKNIEPTDPKYKJ-SNVBAGLBSA-N 218.304 2.036 0 40 BEAB CC[C@H]1CCCCN1c1ncccc1CN 37082690 BKGAFVSADXOJRX-LBPRGKRZSA-N 219.332 2.309 0 40 BEAB CN(C)C(=O)COc1cc(Cl)ccc1Cl 40456745 CKODMGPFEJSZFS-UHFFFAOYSA-N 248.109 2.460 0 40 BEAB CC[C@H](C)[C@@H](N)CN(CC)Cc1ccncc1 42516908 RXTNZCKMPYFWTC-JSGCOSHPSA-N 235.375 2.277 0 40 BEAB Cc1ncsc1C(=O)NOCc1ccccc1 46575019 VUPXSULCOGKCQH-UHFFFAOYSA-N 248.307 2.313 0 40 BEAB CN(CCC1CCNCC1)C(=O)OC(C)(C)C 48259855 MZFOSWHOVPVFSL-UHFFFAOYSA-N 242.363 2.243 0 40 BEAB O=C(O)c1ccc(F)c(N2CCCC2)c1 49814414 XDAPQBAHLQHRKW-UHFFFAOYSA-N 209.220 2.124 0 40 BEAB CC(C)Cn1cc[nH]/c1=N\C(=O)c1cccs1 58230248 JHCHOCRYDFBTMS-UHFFFAOYSA-N 249.339 2.275 0 40 BEAB Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)no1 58307063 YPOSZVKSJYSVFG-VIFPVBQESA-N 224.304 2.490 0 40 BEAB CC(C)[C@@H](C)NC(=O)c1ccnc(NC2CC2)c1 58418906 CBHSMCHHXOTIDL-SNVBAGLBSA-N 247.342 2.430 0 40 BEAB CC(C)C[C@@H]1NC(=O)c2ccccc2N1 61714952 SDHMYLCDQYWQQE-NSHDSACASA-N 204.273 2.214 0 40 BEAB biogenic CCC[C@@](C)(NC(=O)[C@H](C)C(C)C)C(=O)O 69684965 XWRXDKMAQUKABW-BXKDBHETSA-N 229.320 2.038 0 40 BEAB Cc1ccsc1C(=O)N[C@@H](C)CCC(=O)O 69837757 BXPRZDGAKQDKDN-QMMMGPOBSA-N 241.312 2.040 0 40 BEAB CCO[C@@H]1CCCN(Cc2ccccn2)C1 71915719 QVJGVDQKZXUTAK-CYBMUJFWSA-N 220.316 2.083 0 40 BEAB CC(C)(O)c1cn(-c2cccc(Cl)c2)nn1 72160196 RJKSWSJVTOYHAR-UHFFFAOYSA-N 237.690 2.148 0 40 BEAB CC[C@H](N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208755 KLYQWOXEDGDKEN-QWRGUYRKSA-N 242.363 2.371 0 40 BEAB CCN1CCC[C@H]1c1ccc(OC)nc1 72211657 RJRYROVQFOXEHQ-NSHDSACASA-N 206.289 2.247 0 40 BEAB CC(C)c1ccc(-n2nnnc2Cl)cc1 72220712 WVAKARWGVQEHJA-UHFFFAOYSA-N 222.679 2.439 0 40 BEAB Cc1n[nH]c(C)c1CNc1ccccn1 72226477 WISVEXZKRMJITJ-UHFFFAOYSA-N 202.261 2.034 0 40 BEAB CN(Cc1cccc(Cl)c1)[C@@H]1CCOC1=O 89361505 KZZBFSSWMCQOGB-LLVKDONJSA-N 239.702 2.087 0 40 BEAB CCCn1cc(N[C@@H](C)CCOC)cn1 95991557 KGJGBVMALWBMSY-JTQLQIEISA-N 211.309 2.130 0 40 BEAB Cc1nc(N2CCCCCCC2)ncc1C(=O)O 96511727 YVWOXDBOXLWWIY-UHFFFAOYSA-N 249.314 2.254 0 40 BEAB CN(Cc1ccccn1)Cc1cncs1 97113795 XQFSCSSFYHUDON-UHFFFAOYSA-N 219.313 2.170 0 40 BEAB COc1ccc2c(c1)[C@]1(C)CC[C@@H](C2=O)C1=O 100693533 XIGDPSJUSUDMTG-HZMBPMFUSA-N 230.263 2.128 0 40 BEAB NCc1cc(Br)c(F)cc1F 117853760 UTWYOAUKPOMHCW-UHFFFAOYSA-N 222.032 2.186 0 40 BEAB CC1(C)C[C@@]2(C(=O)O)CC[C@@]1(C)[C@@H](O)C2 216577267 LEQOOBIITMGKPW-KPXOXKRLSA-N 212.289 2.038 0 40 BEAB CCCO[C@@H](Cc1ccccc1F)C(=O)O 225052848 VHSGXLMBSIBKJA-NSHDSACASA-N 226.247 2.248 0 40 BEAB Cn1ncc(Br)c1OCC1CCC1 256052017 LNYRGSZBWXBSOW-UHFFFAOYSA-N 245.120 2.362 0 40 BEAB FC1(F)CCC[C@H]1NCc1cc[nH]c1 306240208 HKOZDABTLYYBCP-SECBINFHSA-N 200.232 2.292 0 40 BEAB CCc1[nH]c2cccc(OC)c2c(=O)c1C 685938777 XPPMJUKEXBEJMR-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB CO[C@@H]1[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 1888843578 CABCSZQBHQYZIV-WDNDVIMCSA-N 217.312 2.153 0 40 BEAB c1cc2c(c(CC3=NCCN3)c1)CCCC2 2128 RSTAWBICYZRXME-UHFFFAOYSA-N 214.312 2.110 0 40 BEAB in-man CC(=O)O[C@H](Cn1cccn1)c1ccccc1 105195 FZBBPYRIYMDYDM-CYBMUJFWSA-N 230.267 2.188 0 40 BEAB CCNC(=O)Cc1c(F)cccc1Cl 367292 NVGFLJQKFNEXGF-UHFFFAOYSA-N 215.655 2.158 0 40 BEAB CCN(CC)CC(=O)Nc1c(C)ccc(N)c1C 1511761 QGGRMQFOEGNXNU-UHFFFAOYSA-N 249.358 2.166 0 40 BEAB in-vitro CCOC(=O)C(C)(C)C(=O)Nc1ccccc1 1600227 IGOWFHMKERRZNU-UHFFFAOYSA-N 235.283 2.214 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1OCc1ccccc1 1681276 FCQGKIBPYZALNB-RYUDHWBXSA-N 220.268 2.155 0 40 BEAB COc1ccccc1-c1nnc(NC(C)=O)s1 2336633 OUNURTKDWRFINH-UHFFFAOYSA-N 249.295 2.172 0 40 BEAB CCCCS[C@@H]1C[C@H](C)NC(=S)N1 2588197 BLQUFVLATCMVGG-JGVFFNPUSA-N 218.391 2.102 0 40 BEAB Cc1nc2cc3c(cc2c(C)c1C(=O)O)OCO3 3341759 FWYDDXQDQHZOCP-UHFFFAOYSA-N 245.234 2.279 0 40 BEAB O=c1oc2ccc(F)cc2cc1-c1csnn1 4483698 CLTMEJSIVINYKU-UHFFFAOYSA-N 248.238 2.451 0 40 BEAB CCC(=O)Nc1nonc1-c1ccc(C)cc1 5451856 BTBVSTBABOHDKT-UHFFFAOYSA-N 231.255 2.394 0 40 BEAB Cc1cccc(-n2nc3ccc(N)cc3n2)c1 5548635 ORMUWZSGLDZISO-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB NC(=O)CSc1cccc2ccccc12 6238033 RUTJEBMHOBGDQX-UHFFFAOYSA-N 217.293 2.417 0 40 BEAB O=C(O)CCc1ccc(O)c(Br)c1 11888702 XNAOWXULVKRRJW-UHFFFAOYSA-N 245.072 2.172 0 40 BEAB C[C@H](C(=O)O)N1CCC(Cc2ccccc2)CC1 11962362 RURDNKWWNOLVMF-GFCCVEGCSA-N 247.338 2.414 0 40 BEAB COCC(=O)Nc1ccc(N2CCCCC2)cc1 12527715 OZBIXCOKYBJNAH-UHFFFAOYSA-N 248.326 2.262 0 40 BEAB Cc1ccc([C@@H]2CNC[C@H]2c2csnn2)cc1 14000607 FWDPRNKPKUGOPA-NWDGAFQWSA-N 245.351 2.317 0 40 BEAB Cc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 17919569 MVQZCCWEAFWRJS-TXEJJXNPSA-N 233.311 2.244 0 40 BEAB CC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C 19505547 BMSVXURYDSJPDJ-LDYMZIIASA-N 217.268 2.484 0 40 BEAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1OC 19799113 RMDVYNKTMPJSLD-CYBMUJFWSA-N 223.316 2.472 0 40 BEAB Cc1c(N)cccc1NC(=O)C1CCC1 20157037 XZCAEUYEXHCYQM-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB CCCn1nccc1CNc1cn(CC)nc1C 20351025 NRXQLMJXNZKJNS-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CC(C)Cc1noc([C@@H]2CCCCN2)n1 21520773 OXTMARDYVKTESR-VIFPVBQESA-N 209.293 2.083 0 40 BEAB CC(C)NC(=O)CN(C)[C@@H]1CCc2ccccc21 29810651 KECXMRHOQPQATE-CQSZACIVSA-N 246.354 2.130 0 40 BEAB CCS(=O)(=O)c1ccccc1NC(C)C 35348469 ROLYNLKIGJWNQC-UHFFFAOYSA-N 227.329 2.301 0 40 BEAB in-vitro CCN(C1CCCCC1)[C@H]1CCCNC1 37246786 GSXXHJOFNCOJII-ZDUSSCGKSA-N 210.365 2.393 0 40 BEAB CC(C)CCNc1ccc(C(=O)O)cc1N 37930384 OZVVPFFNEXFZHU-UHFFFAOYSA-N 222.288 2.425 0 40 BEAB Cc1cnc(C(=O)N[C@H](C)c2ccc(C)o2)cn1 39975806 BWCRMCRJNFPOMD-SNVBAGLBSA-N 245.282 2.177 0 40 BEAB Cc1ccc(CCC(=O)NC(C)C)cc1 40476632 FPDYKZGJPSUGRR-UHFFFAOYSA-N 205.301 2.452 0 40 BEAB CCOC(=O)c1ccc(N2CCCC2)c(N)c1 41079691 HMKKNIXKPDYFBL-UHFFFAOYSA-N 234.299 2.046 0 40 BEAB CCN(CCCCCCN)Cc1ccncc1 42516894 CAINLNMJYWXCPA-UHFFFAOYSA-N 235.375 2.423 0 40 BEAB Cc1noc(C)c1C(=O)N[C@@H](C)Cc1ccco1 44913201 BFLFXERKWXLOHG-QMMMGPOBSA-N 248.282 2.245 0 40 BEAB CC(C)CSc1nnnn1Cc1ccco1 48406082 UEVPXQFJKVHART-UHFFFAOYSA-N 238.316 2.063 0 40 BEAB O=C1NCCC[C@@H]1c1cccc(Cl)c1 57496065 RVBIIAQUQRRGRW-SNVBAGLBSA-N 209.676 2.334 0 40 BEAB Cc1noc(CCNc2nc3ccccc3o2)n1 58427184 RXYFVZKCZORWQP-UHFFFAOYSA-N 244.254 2.174 0 40 BEAB CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 60007092 XLDQNKSCLODJJQ-RKDXNWHRSA-N 243.303 2.107 0 40 BEAB CCN(CC)CC(=O)N[C@@H](C)CCC(C)C 61757494 IDAXKZWZMLTBGU-LBPRGKRZSA-N 228.380 2.269 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@@H]2[C@H](C)O)c1 62713993 XIQGGSRGDTUMQB-ZEGGKSINSA-N 222.284 2.188 0 40 BEAB Cc1ccc(-c2ccc(C(N)=O)nc2)cc1 71787942 GVDPCCKPSYFZMT-UHFFFAOYSA-N 212.252 2.156 0 40 BEAB Cc1cc(C)n(C2CN(Cc3cscn3)C2)n1 71880620 AYCRLFRPFYJXES-UHFFFAOYSA-N 248.355 2.013 0 40 BEAB COC(=O)c1c[nH]cc1-c1ccccc1OC 72207381 UNAXQDNNJDMVPI-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB C[C@@H](N)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208704 UHURVYQOXPFTNJ-NXEZZACHSA-N 228.336 2.123 0 40 BEAB CCn1nc(C)c(CCC(=O)N2CCCC2)c1C 72240501 YCVSTIJCPRBTCN-UHFFFAOYSA-N 249.358 2.075 0 40 BEAB CN1CCC[C@@H](Cc2ccc(Cl)nn2)CC1 72343829 OLGMPPNIMUBFLS-SNVBAGLBSA-N 239.750 2.404 0 40 BEAB Cc1cc(C)cc(N(C)[C@@H](C)C(=O)O)c1 82259493 ZRWMEIZENPBGJQ-JTQLQIEISA-N 207.273 2.213 0 40 BEAB CCCC[C@H](CC)CNC(=O)N[C@@H](CC)CO 84742942 LUCJWJGLCCSFHO-RYUDHWBXSA-N 244.379 2.273 0 40 BEAB CCOC(=O)[C@H]1N=NC[C@@H]1c1ccc(OC)cc1 85389855 TWEQXAIFXJNBKL-NEPJUHHUSA-N 248.282 2.176 0 40 BEAB C[C@@H](N)c1cc(F)ccc1OCC(F)F 87111597 PKBRQABSWHZVLR-ZCFIWIBFSA-N 219.206 2.489 0 40 BEAB Brc1ccccc1COC[C@@H]1CO1 95096155 LKVBHMDASGYBJU-SECBINFHSA-N 243.100 2.365 0 40 BEAB CCCOc1c(F)cc(F)cc1CO 95739720 LKFFUGHDFYTXKL-UHFFFAOYSA-N 202.200 2.246 0 40 BEAB CCOc1ccccc1-c1nc(C)no1 95939870 ORSLFATZQYLUNA-UHFFFAOYSA-N 204.229 2.444 0 40 BEAB NC(=O)c1cnc(-c2ccccc2)nc1C(F)F 96529342 PJQIICCVZKHBLM-UHFFFAOYSA-N 249.220 2.180 0 40 BEAB c1cncc(CNc2nnc(-c3ccco3)o2)c1 97230095 PRQFVSFKRDNNML-UHFFFAOYSA-N 242.238 2.337 0 40 BEAB OCCC1(CN[C@H]2CCCSC2)CCC1 97370975 QTNWKZTXKUPKTG-NSHDSACASA-N 229.389 2.024 0 40 BEAB COc1ccccc1C(=O)CC(=O)C(F)(F)F 100316399 MEKQEULAECFIOH-UHFFFAOYSA-N 246.184 2.399 0 40 BEAB N/C(=C(\N)c1ccccc1)c1ccccc1 100368719 TXVWTOBHDDIASC-YPKPFQOOSA-N 210.280 2.430 0 40 BEAB C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccn1 102267402 RZMSCKRNXLDYMH-ZDEQEGDKSA-N 242.322 2.471 0 40 BEAB C[C@@H]1CCC[C@H](CS[C@H](C)C(N)=O)C1 108328157 IWXFFWPZXPAOCY-BBBLOLIVSA-N 215.362 2.420 0 40 BEAB COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 116471247 UQKHHHRILLHNMU-RNFRBKRXSA-N 212.195 2.241 0 40 BEAB CSc1ccc2ncc(C(=O)O)c(O)c2c1 139617106 BKDBRYWQDVAUPK-UHFFFAOYSA-N 235.264 2.361 0 40 BEAB NC1C[C@@H]2CC[C@@H](C1)C21SCCS1 217637059 ICZVEWGQBDTQPN-YUMQZZPRSA-N 215.387 2.310 0 40 BEAB Cc1nc(C2CC2)ncc1C(=O)N1CCCCC1 225791781 YCWYOTZRUISWBG-UHFFFAOYSA-N 245.326 2.289 0 40 BEAB CC(C)c1ccc([C@H]2CN(C)C[C@H]2N)cc1 242649266 RZAQKRLKXBQPIV-ZIAGYGMSSA-N 218.344 2.166 0 40 BEAB Cc1cccc(OC[C@@H]2CCNC(=O)CC2)c1 334937553 ZXLSJNXOMAUHSR-LBPRGKRZSA-N 233.311 2.290 0 40 BEAB OCc1ccc(C(F)(F)Br)nc1 584880363 VKEOZPOJWAGKFC-UHFFFAOYSA-N 238.031 2.018 0 40 BEAB CSc1nccc(N2C[C@@H]3CCC[C@H]3C2)n1 1889070479 YVAMKXDTUWEFJD-UWVGGRQHSA-N 235.356 2.435 0 40 BEAB NC(=O)/C=C/c1ccc(OC(F)(F)F)cc1 165653 JJVOFARCSZCHEV-ZZXKWVIFSA-N 231.173 2.084 0 40 BEAB C[C@@H](CC[C@@H](N)C(=O)O)CC(C)(C)C 1570986 LQPHHJWZDMPTML-DTWKUNHWSA-N 201.310 2.251 0 40 BEAB O=C1c2ccccc2[C@@H](O)N1c1ccccc1 4672976 ZLODOCHSFJATAJ-CYBMUJFWSA-N 225.247 2.338 0 40 BEAB COC(=O)c1cc2c(cc1O)CCCC2 4976402 YRGJVRHNWPDXMH-UHFFFAOYSA-N 206.241 2.058 0 40 BEAB O=C(NC1=NCCS1)c1cc2ccccc2[nH]1 9884534 ODQAOMGOIXDPMN-UHFFFAOYSA-N 245.307 2.001 0 40 BEAB O=C(Nc1ccccc1)NC1CCC(O)CC1 12865084 YSFCBGJWXIOABB-UHFFFAOYSA-N 234.299 2.112 0 40 BEAB CC[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 13948957 BJBFVXVGFMWRFF-SECBINFHSA-N 227.329 2.108 0 40 BEAB Fc1ccc(COC[C@H]2CCCNC2)cc1 14631114 KZQDFKLPSSMHRM-LBPRGKRZSA-N 223.291 2.342 0 40 BEAB Cc1cc(=O)oc2[nH]nc(-c3ccccc3)c12 18066690 KSUVRHQIDZXBBY-UHFFFAOYSA-N 226.235 2.492 0 40 BEAB COc1ccc(CN2CCN(C(C)C)CC2)cc1 19448007 MRVYTGCQDUEPCY-UHFFFAOYSA-N 248.370 2.221 0 40 BEAB CCCCC(=O)NCCCCCCC(=O)O 19519670 UCOGRJOTZKIRTB-UHFFFAOYSA-N 229.320 2.328 0 40 BEAB Cc1ccccc1C(=O)N1CCCC[C@H]1CCO 19681299 OFWWIBGSQZSIJG-ZDUSSCGKSA-N 247.338 2.372 0 40 BEAB Cc1cccc(-n2ncc3c(S)ncnc32)c1 19723894 FZMUBKNZHUMXCU-UHFFFAOYSA-N 242.307 2.413 0 40 BEAB CCOC(=O)c1cc(NC(C)=O)ccc1Cl 20051047 KKJRBKLTOACASV-UHFFFAOYSA-N 241.674 2.475 0 40 BEAB Nc1ncc(Cc2ccc(C(=O)O)cc2)s1 20596518 FQKYQEQAQULHMK-UHFFFAOYSA-N 234.280 2.014 0 40 BEAB O=C1c2ccccc2C(=O)N1OCc1ccco1 21999777 ROUSXZGKXRFOBH-UHFFFAOYSA-N 243.218 2.007 0 40 BEAB COC(=O)[C@@H](C(C)C)N1CCCC[C@@H]1C 22123322 LGVTXLWASYUXKR-WDEREUQCSA-N 213.321 2.058 0 40 BEAB COc1ccc2cc(C(N)=S)ccc2c1 22141095 SZNBNJFTZHUGPB-UHFFFAOYSA-N 217.293 2.483 0 40 BEAB in-vitro COC(=O)c1[nH]c2ccc(C)cc2c1C=O 22864162 JNSVXMJLMJBREX-UHFFFAOYSA-N 217.224 2.075 0 40 BEAB CC[C@H]1COC(=O)N1c1ccc(OC)cc1 26897101 ZGBFJCBZLMXRKA-VIFPVBQESA-N 221.256 2.430 0 40 BEAB CC[C@H](C)NC(=O)c1c[nH]c2ccccc2c1=O 32633329 ZXCAELPGTTZVHN-VIFPVBQESA-N 244.294 2.056 0 40 BEAB C=CC(=O)OC1CC(C)(C)NC(C)(C)C1 34236928 BUFCQVRLKYIQJP-UHFFFAOYSA-N 211.305 2.025 0 40 BEAB CCOC(=O)Nc1ccc(Cl)nc1 34550399 ZKJFDWOFTPBEQX-UHFFFAOYSA-N 200.625 2.303 0 40 BEAB COC(=O)c1ccccc1CC1CCNCC1 35571331 OHZVWXXHTMJPID-UHFFFAOYSA-N 233.311 2.015 0 40 BEAB in-vitro CCN(CC)C(=O)CSc1ccc(N)cc1 37182489 ATFVOODYRDRSKM-UHFFFAOYSA-N 238.356 2.229 0 40 BEAB Fc1cccc(F)c1COC[C@@H]1CCNC1 42773971 TUHREEQQBCTELA-SECBINFHSA-N 227.254 2.091 0 40 BEAB NC(=O)/C=C\c1ccc(N2CCCCC2)cc1 44262129 JPJZZTLOTYFOFN-TWGQIWQCSA-N 230.311 2.175 0 40 BEAB Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)s1 45445920 SPAMNDUEOYVIAW-BDAKNGLRSA-N 239.340 2.306 0 40 BEAB CCc1ccc(C(=O)N2CCSCC2)o1 49215154 WUBKGJJSYAWCNS-UHFFFAOYSA-N 225.313 2.031 0 40 BEAB COc1cc(NCc2ccccc2)ncn1 62710888 APFFJGSYBRIMRE-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB CCc1cccc2c3c(cnc12)C(=O)OCCO3 64874813 LWTCVVMROBCEMP-UHFFFAOYSA-N 243.262 2.346 0 40 BEAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc[nH]1 67333818 LANFVERRUQCIJX-DGCLKSJQSA-N 244.269 2.440 0 40 BEAB CC[C@@H](O)c1ccc(N(CC)CC)nc1 72225259 ZBOGBCFHZXQTNY-LLVKDONJSA-N 208.305 2.371 0 40 BEAB N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 72227331 AAZUWUNMNWDQID-KBPBESRZSA-N 238.290 2.102 0 40 BEAB C[C@@H](NC(=O)OCC(F)(F)F)C1CC1 82416871 QPSHGEXFPAVWAS-RXMQYKEDSA-N 211.183 2.073 0 40 BEAB in-vitro COc1c(C(=O)O)sc2c1CCCC2 84227934 NISAZBAHPFVIPA-UHFFFAOYSA-N 212.270 2.334 0 40 BEAB CCc1c(C(=O)O)sc(=S)n1C 85392091 ZWMZRHZKZMFRFO-UHFFFAOYSA-N 203.288 2.077 0 40 BEAB Clc1cnccc1OCC1CCNCC1 86840409 KTCSDFUTFILZNU-UHFFFAOYSA-N 226.707 2.113 0 40 BEAB CC(C)CNC(=O)C1=C(Cl)CCC1 89840230 LOQNBZWPOHFJOP-UHFFFAOYSA-N 201.697 2.435 0 40 BEAB C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC1CC1 95455489 JEAOYLBMACSRHH-VHSXEESVSA-N 242.363 2.430 0 40 BEAB O=C1Nc2c(Cl)cccc2C1(F)F 95774150 VBZKWFOJKHTOSV-UHFFFAOYSA-N 203.575 2.384 0 40 BEAB Cc1cccc(CC(=O)NCCc2ccoc2)c1 96096822 ZOPRZNQPVUSLGY-UHFFFAOYSA-N 243.306 2.489 0 40 BEAB OCCn1nccc1-c1cccc(Cl)c1 96527624 PEFAOFRFDBRYLH-UHFFFAOYSA-N 222.675 2.196 0 40 BEAB O=S1(=O)[C@@H]2C=CC=C[C@@H]1c1ccccc12 101036717 LXLBCNMDWBUZTO-VXGBXAGGSA-N 218.277 2.323 0 40 BEAB FC(F)CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 102694706 NIFRWZQFFKQRHA-SRVKXCTJSA-N 244.329 2.058 0 40 BEAB CC(C)CN(C(=O)CCN)C1CCCCC1 155778263 ODJXQLUCBYDGHA-UHFFFAOYSA-N 226.364 2.153 0 40 BEAB O=C(NC1CCCC1)N1[C@H]2C=CC[C@H]1CC2 206917864 QYRFNPKVJPPPFH-RYUDHWBXSA-N 220.316 2.432 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CO2 217991249 KCWTUTJWGBZQPM-JOYOIKCWSA-N 227.304 2.032 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC=CC[C@H]21 242718383 XLYHXOPCEVMQKC-MYJAWHEDSA-N 209.289 2.476 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]12CCC[C@@H](O)C2 606301398 ABXMAKMUBUVZOT-MFKMUULPSA-N 241.331 2.301 0 40 BEAB CSc1nccc(N2CCC(C)CC2)n1 1889070766 OSSYHSSLCLRKRV-UHFFFAOYSA-N 223.345 2.435 0 40 BEAB Nc1onc2cccc(C(F)(F)F)c12 2362803847 SQLXWJSXORTWEK-UHFFFAOYSA-N 202.135 2.429 0 40 BEAB Nc1cccc(C2=N[C@@H]3C=CC=C[C@H]3N=C2)c1 169287 NXWUUVBGDHHZDU-CHWSQXEVSA-N 223.279 2.006 0 40 BEAB CNc1cc2oc(=O)cc(C)c2cc1C 1609585 RIZOSFDXIXBLIP-UHFFFAOYSA-N 203.241 2.452 0 40 BEAB N[C@]1(C(=O)O)CCCC[C@H]1c1ccccc1 1702670 QAKNRGSEJPUFDI-WCQYABFASA-N 219.284 2.126 0 40 BEAB O[C@H]1CNCC[C@H]1c1cccc(C(F)(F)F)c1 3080603 GRVSNFYUBFPYMK-QWRGUYRKSA-N 245.244 2.143 0 40 BEAB Cc1ccsc1CN1CCCC[C@@H]1C(=O)O 3755739 ANXDNQWMFVVFPN-SNVBAGLBSA-N 239.340 2.496 0 40 BEAB CNC(=O)c1ccc(COc2ccccc2)o1 5424365 MVBVEKMQODICNT-UHFFFAOYSA-N 231.251 2.218 0 40 BEAB CC(=O)N[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 12847188 RFNVIMCTUQSGCO-JTQLQIEISA-N 248.326 2.273 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1F 12916150 RQAABULGQRVVDE-GXSJLCMTSA-N 221.275 2.406 0 40 BEAB CCCCCCSc1cc(=O)[nH]c(N)n1 18202178 RCHZYHUYECBOQM-UHFFFAOYSA-N 227.333 2.025 0 40 BEAB O=C(O)CO[C@H]1CCCc2ccccc21 19426943 BYFHZBLEBSOMPZ-NSHDSACASA-N 206.241 2.165 0 40 BEAB in-vitro COc1ccc2onc(C3CCNCC3)c2c1 19946236 VSTUTQWTJWSZPH-UHFFFAOYSA-N 232.283 2.303 0 40 BEAB COc1ccc(C(=O)OC(C)(C)C)cc1N 20155867 RTBLFLZAAXRJCC-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB Nc1ccccc1CS(=O)(=O)c1ccccc1 20580604 SYUUHJVWQMFSRO-UHFFFAOYSA-N 247.319 2.243 0 40 BEAB CCc1nc(N)sc1-c1nc(C(C)C)no1 22121393 GDSACFJDQDPRQU-UHFFFAOYSA-N 238.316 2.461 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)NC1CC1 32843674 YPWSYYFLXAFOSZ-SECBINFHSA-N 216.284 2.310 0 40 BEAB C[C@@H]1CCC[C@H](NC(=O)c2cnccn2)[C@@H]1C 33028630 FXQLTXZPVNTNIB-MXWKQRLJSA-N 233.315 2.031 0 40 BEAB CC(C)C(=O)c1ccc(N2CCOCC2)cc1 33464909 CWTBBPJZCKCMSD-UHFFFAOYSA-N 233.311 2.362 0 40 BEAB Brc1cnccc1N1CCCC1 34416449 MBBBWYVLXDPSHM-UHFFFAOYSA-N 227.105 2.444 0 40 BEAB Nc1cnn(-c2ccc(Br)cc2)c1 35728316 RXXVJVGEVMIYTK-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CON(C)C(=O)[C@H](C)Oc1cccc(C)c1C 36391307 JXGSPBRXIVQEIC-NSHDSACASA-N 237.299 2.091 0 40 BEAB CCCNS(=O)(=O)c1ccc(Cl)cc1C 37064505 NIBWMTXNEIKCOP-UHFFFAOYSA-N 247.747 2.337 0 40 BEAB CCCCNC[C@@H](C)C(=O)OC(C)(C)C 47219034 CDILYGCJJBFUQC-SNVBAGLBSA-N 215.337 2.354 0 40 BEAB CCO[C@H]1CCCN(C(=O)Nc2cccnc2)C1 49023683 BRIXHJFDJOSQOP-LBPRGKRZSA-N 249.314 2.114 0 40 BEAB C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]2C1 54962088 SLRCCWJSBJZJBV-KBXIAJHMSA-N 234.387 2.345 0 40 BEAB Cc1ccccc1C(=O)N(CC(=O)O)CC(C)C 57537576 XMTHLPQNRXFJTJ-UHFFFAOYSA-N 249.310 2.178 0 40 BEAB CC[C@@H](O)c1ccc(Br)nc1 72225033 HRCGHWKWZMLTCB-SSDOTTSWSA-N 216.078 2.288 0 40 BEAB C[C@@H](c1cc(F)ccc1F)N(C)C(N)=O 77631299 MYCJYFFGRGTRMU-LURJTMIESA-N 214.215 2.036 0 40 BEAB CN(C)C(=O)c1ccc(OC2CCC2)cc1 79451941 MXKVBULYYGADDK-UHFFFAOYSA-N 219.284 2.320 0 40 BEAB CNC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 80633060 MXOGPNHKTBIASV-MRVPVSSYSA-N 242.706 2.036 0 40 BEAB CSc1nc(Cl)c2c(n1)N(C1CC1)CC2 83348296 MVPQTCPJJQSUDK-UHFFFAOYSA-N 241.747 2.377 0 40 BEAB CCCCNC(=O)[C@H](C)N(C)CC(C)(C)C 84744501 JPJMHPZWXSHIPV-NSHDSACASA-N 228.380 2.269 0 40 BEAB Brc1ccc(OC2CC2)nc1 85395460 WFGHZOZHSRYNKT-UHFFFAOYSA-N 214.062 2.385 0 40 BEAB in-vitro O=C(c1ccco1)N1C[C@H]2CC=CC[C@H]2C1 89794337 WUAIMILCHGLLGK-PHIMTYICSA-N 217.268 2.318 0 40 BEAB CS[C@@H](C(=O)NCc1ccco1)C(C)C 95425874 YANIOGFCFYURBT-SNVBAGLBSA-N 227.329 2.283 0 40 BEAB CC(C)COc1ccc(NCc2cc[nH]n2)cn1 95430914 GQNRPACCQQAJDC-UHFFFAOYSA-N 246.314 2.452 0 40 BEAB COc1cccc2c1CCc1sc(N)nc1-2 96906405 RVRXGFWHCVTYRK-UHFFFAOYSA-N 232.308 2.500 0 40 BEAB NC(=O)NC1(Cc2ccccc2)CCCC1 97375930 FQMGLXFRFQVTII-UHFFFAOYSA-N 218.300 2.210 0 40 BEAB CC1(C)[C@@H]2CN(C(=O)c3ccoc3)C[C@H]21 102728477 KYQOOIQRIRKMNX-NXEZZACHSA-N 205.257 2.008 0 40 BEAB COc1ccc(C(=O)c2ccncc2N)cc1F 199711918 IFFUJMYCMHYESI-UHFFFAOYSA-N 246.241 2.043 0 40 BEAB Nc1cnccc1C(=O)c1ccc(F)cc1 199712182 JBTJJIDVQUXCBF-UHFFFAOYSA-N 216.215 2.034 0 40 BEAB Cc1c(F)cccc1N[C@H]1CCC[C@@H]1N 218882196 QKAYBOXPNVFHOI-JQWIXIFHSA-N 208.280 2.426 0 40 BEAB OC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCSC1 253370885 XONVDBHBIGNZGZ-AVGNSLFASA-N 243.416 2.413 0 40 BEAB CNCC1CCC(OC(F)(F)F)CC1 393663134 ZFLMBOAIGUWHFT-UHFFFAOYSA-N 211.227 2.301 0 40 BEAB Cc1nc(Cn2cnc3ccccc32)co1 573763617 ZERZDLJPSNTECC-UHFFFAOYSA-N 213.240 2.381 0 40 BEAB Cc1ccccc1CC(=O)N1C[C@H]2C[C@H]1CS2 575607452 NHTZOTBITSMDRB-QWHCGFSZSA-N 247.363 2.254 0 40 BEAB CC[C@H](CO)NC(=S)Nc1ccccc1C 141839 IBZQFPVECCBLOJ-SNVBAGLBSA-N 238.356 2.052 0 40 BEAB CC(=O)NC(=S)Nc1cc(C)ccc1C 1003709 TXDLNWRYAIFWHB-UHFFFAOYSA-N 222.313 2.136 0 40 BEAB CCN(CC)C(=O)c1c(C)nc2ccccn12 1403478 CIRAXTUXGVCESC-UHFFFAOYSA-N 231.299 2.125 0 40 BEAB COc1ccc2c3c(c(=O)oc2c1)CCC3 1801076 DTFKDQHTVIJYTF-UHFFFAOYSA-N 216.236 2.290 0 40 BEAB C1=NC[C@@H](c2ccc([C@@H]3CN=CC=N3)cc2)N=C1 3844848 NSNHRZYMHZIUON-KBPBESRZSA-N 238.294 2.079 0 40 BEAB biogenic C[C@@H]1CCc2cc(Br)ccc2N1N 4974997 WQAFGYUKYCQNTK-SSDOTTSWSA-N 241.132 2.464 0 40 BEAB c1ccn(-c2ccc3c(c2)OCCO3)c1 6277098 HMBOUQKESIRNCW-UHFFFAOYSA-N 201.225 2.249 0 40 BEAB CCCn1c(S)nnc1-c1ccccc1N 6493374 YISIOHWNMMXTNW-UHFFFAOYSA-N 234.328 2.226 0 40 BEAB CC[C@]1(CCC(C)C)SC(N)=NC1=O 8617690 SXCOJDOJAFHAPT-SNVBAGLBSA-N 214.334 2.160 0 40 BEAB O=C(NCCc1ccc(O)cc1)c1ccccc1 12343956 MUCNBPCTSRYLCB-UHFFFAOYSA-N 241.290 2.365 0 40 BEAB endogenous,in-man COc1ccc(CNC(=O)NC2CCCC2)cc1 12892075 RSJJEAMWSPVNTJ-UHFFFAOYSA-N 248.326 2.437 0 40 BEAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1 13319994 RJDRLSHRAYLXIA-MFKMUULPSA-N 249.310 2.051 0 40 BEAB CC(=O)c1cc2ccc(=O)oc2cc1C(C)=O 16321907 SVHDRHWULLNMQC-UHFFFAOYSA-N 230.219 2.198 0 40 BEAB O=C(CNCC1CC1)Nc1ccccc1Cl 20037589 NKGVEZWLWKDPPX-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB c1ccc2c(c1)CCCN2C[C@H]1CCCN1 20073706 VPDTYTXECHNYPG-CYBMUJFWSA-N 216.328 2.191 0 40 BEAB CC(=O)N[C@H](C(=O)O)c1cccc2ccccc12 33962270 KLRUNOLBCBCQSE-ZDUSSCGKSA-N 243.262 2.102 0 40 BEAB C/C=C/C(=O)OCC(Cl)(Cl)Cl 34722458 ALVLSYVLAJUAME-NSCUHMNNSA-N 217.479 2.476 0 40 BEAB CCOc1ccc(C2(CN)CCOCC2)cc1 34940530 JMXAZAXDWCNBRT-UHFFFAOYSA-N 235.327 2.092 0 40 BEAB in-vitro C=CC(=O)NCc1ccccc1OC(F)(F)F 36334542 VWZXIWZQVPCKPM-UHFFFAOYSA-N 245.200 2.387 0 40 BEAB CN[C@@H](C(=O)O)c1cccc(Cl)c1Cl 37180889 XUSJFRAYQKFOSU-MRVPVSSYSA-N 234.082 2.339 0 40 BEAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCN 37802978 MJRCLKQIVYDQFU-SNVBAGLBSA-N 238.306 2.084 0 40 BEAB CCOC(=O)c1cnc(-c2cccnc2)s1 40448331 XKMSDGBXVNMUPM-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB COCCNC(=O)CCc1ccccc1Cl 40459312 FAYRVFJUFGWBJN-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB CCOC(=O)c1ccc(N2CCCCC2)nc1 40538645 RPVQROCFAUZJSO-UHFFFAOYSA-N 234.299 2.249 0 40 BEAB CCOC(=O)C(=O)c1cc(F)c(Cl)c(F)c1 43504369 MHUURKCJNZCTCC-UHFFFAOYSA-N 248.612 2.364 0 40 BEAB CCOc1ncccc1NC(=O)N1CCCC1 48207369 UXSCQUNGKIOXHG-UHFFFAOYSA-N 235.287 2.108 0 40 BEAB CC(C)(C)NC(=N)NCc1ccccc1 52040909 UCZPOVXAYYMHDC-UHFFFAOYSA-N 205.305 2.099 0 40 BEAB O=C(O)c1nccnc1SCc1ccccc1 54553828 OMNDPRPCKFNBNP-UHFFFAOYSA-N 246.291 2.467 0 40 BEAB OCCc1ccc(NCc2cncs2)cc1 54788305 FDJUXPWHYKYTIG-UHFFFAOYSA-N 234.324 2.290 0 40 BEAB NCCCn1ncc2c(Cl)cccc21 57341415 XAAFPSHQWBLVKO-UHFFFAOYSA-N 209.680 2.039 0 40 BEAB O=C(NCc1ccccc1F)NCC1CC1 57536098 JHBAMNWUAQYKDP-UHFFFAOYSA-N 222.263 2.035 0 40 BEAB CCn1nc(C(F)F)c(C=O)c1Cl 61628970 DEZQQPKUJACKSM-UHFFFAOYSA-N 208.595 2.307 0 40 BEAB NNc1nccnc1Oc1ccccc1Cl 70451479 ZRGQVMPOFXNJGB-UHFFFAOYSA-N 236.662 2.208 0 40 BEAB CC(C)CC(=O)N1CCC[C@H]1c1cnccn1 72361282 LDZXQRGJEWNFRF-LBPRGKRZSA-N 233.315 2.186 0 40 BEAB COC(=O)c1c(F)ccc2cccnc12 75852232 BZHWTNUDKQFEGA-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB CC[C@H](C[C@H](C)CO)Nc1cncc(Cl)n1 76084090 JHMSHMTTZASCRA-DTWKUNHWSA-N 243.738 2.339 0 40 BEAB CN(C)C(=O)[C@@H]1SCCc2sccc21 79452004 GEKJSMFDYYDMCL-SECBINFHSA-N 227.354 2.167 0 40 BEAB O=C(O)c1nnc(-c2ccccc2F)s1 83321634 IUGYVLKDEQESRW-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB COc1cccc(C(=O)Nc2ccccc2O)n1 84382838 LXIMBKMLWYWRHZ-UHFFFAOYSA-N 244.250 2.048 0 40 BEAB Cc1cc(F)c(N)c2ccc(C=O)nc12 85399794 FZDGPOAZBNBCML-UHFFFAOYSA-N 204.204 2.077 0 40 BEAB O=C(O)C1(c2cccnc2)CC2(CCC2)C1 87617410 TWKLSSIIQVOEMG-UHFFFAOYSA-N 217.268 2.368 0 40 BEAB CC(C)[C@@H](N)c1nc2cccnc2n1C1CC1 88872454 BOSFLTKAFYEEFU-LLVKDONJSA-N 230.315 2.422 0 40 BEAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)NC1CC1 89827971 SIXZOAQDUXMOHH-AAEUAGOBSA-N 230.311 2.252 0 40 BEAB C[C@H]1CC[C@H](C(=O)N2CCCCCCC2)O1 89922812 BWYZGCWZGPBRDJ-NWDGAFQWSA-N 225.332 2.347 0 40 BEAB COC1(CN[C@H]2CCCC2(C)C)CCOCC1 90653338 QLKTZJWVRUZVGN-LBPRGKRZSA-N 241.375 2.350 0 40 BEAB O=C(O)c1cccc(-c2cncc(Cl)n2)c1 91302152 DLXPGGIBZPMKHR-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB CC[C@H](C(=O)O)C(=O)c1cc(F)c(F)cc1F 95079504 FECPKRJGQHBFFE-YFKPBYRVSA-N 246.184 2.397 0 40 BEAB COC(=O)C(=O)c1cccc(Cl)c1C 95729594 LRPUTQYQPJLFSH-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB c1csc(CN2CCC3(CC2)COC3)c1 96078153 CXSNAGJPJWBGEF-UHFFFAOYSA-N 223.341 2.361 0 40 BEAB CC[C@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97016582 IDBRGSVLGCFHIA-XDQVBPFNSA-N 223.360 2.482 0 40 BEAB CC[C@H](C)C(=O)NCCc1cccc(C(=O)O)c1 104266066 NIJKJYRKKGTJCR-JTQLQIEISA-N 249.310 2.090 0 40 BEAB CC[C@H]1CCCCCN1C(=O)C[C@H](N)C1CC1 125635137 SHSYXPMFGFNDMU-STQMWFEESA-N 238.375 2.295 0 40 BEAB CCOc1ccc(NC(=O)C(C)(C)OC)cc1 170966147 SIFZLYXXKSTGJP-UHFFFAOYSA-N 237.299 2.449 0 40 BEAB CCCCNCC1(COC2CCOCC2)CC1 217796831 LXNABXWYLMLBNI-UHFFFAOYSA-N 241.375 2.352 0 40 BEAB CCCO[C@H](Cc1ccc(F)cc1)C(=O)O 225055259 HGCBPZRBYHUMCU-LLVKDONJSA-N 226.247 2.248 0 40 BEAB CC(C)N1N[C@](C)(c2cccs2)NC1=S 225343401 VALHEWNXJYBDAW-SNVBAGLBSA-N 241.385 2.024 0 40 BEAB CC(C)=CC1=NN[C@H]2CC(C)(C)CC(=O)[C@@H]12 228921269 KABWVFXAWUNQFO-JQWIXIFHSA-N 220.316 2.286 0 40 BEAB COc1ccccc1-c1nc(CO)c(C)o1 409423551 SQEVKWRWCSOHMO-UHFFFAOYSA-N 219.240 2.151 0 40 BEAB CC(C)(NC(=O)c1cnco1)c1ccccc1F 647024543 YYNGAEMNLNONEA-UHFFFAOYSA-N 248.257 2.479 0 40 BEAB Cc1nocc1COc1ccc2c(c1)CNC2 905615061 PIMSRMVSYARSQJ-UHFFFAOYSA-N 230.267 2.165 0 40 BEAB OCc1c(OC(F)(F)F)ccc(F)c1F 1083811081 UVBDXDPDTKKBJY-UHFFFAOYSA-N 228.116 2.356 0 40 BEAB COC(=O)c1sc(Cl)c(Cl)c1N 1857778984 YIQGXQXDGLZPOK-UHFFFAOYSA-N 226.084 2.424 0 40 BEAB Cc1ccnc(NC(=O)c2ncc(F)cc2C)c1 1889104408 OMEKZQNXMNSBSV-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB Cc1cc(C)c(-c2ncn(C)n2)c(C)c1 2362801737 PJPATCXWRJAHTB-UHFFFAOYSA-N 201.273 2.407 0 40 BEAB CC(=O)Nc1c(C(=O)O)oc2ccccc12 266213 DQAIPQYBAJTEBA-UHFFFAOYSA-N 219.196 2.089 0 40 BEAB Cc1ccc(-n2[nH]c(=O)c3cccnc32)cc1 1397117 RVMYCAZASWLQEQ-UHFFFAOYSA-N 225.251 2.022 0 40 BEAB Oc1ccc(C2=CSC3=NCCN23)cc1 1704546 VHAXYBWGPIXDEA-UHFFFAOYSA-N 218.281 2.109 0 40 BEAB CO[C@@H](C(=O)O)c1ccc(Br)cc1 1715281 IIKGWGCSARLGNN-MRVPVSSYSA-N 245.072 2.221 0 40 BEAB CCOP(=O)(OCC)c1cccc(O)c1 2573152 NXNQMKQLDMKXGY-UHFFFAOYSA-N 230.200 2.284 0 40 BEAB biogenic O=C1CCCN1c1nc2ccccc2s1 6654410 IPVOAMZAIZLBIF-UHFFFAOYSA-N 218.281 2.423 0 40 BEAB in-vitro CC(=O)c1cnc(N2CCC[C@H](C)C2)nc1C 8731918 FOABNFIARBZDPR-VIFPVBQESA-N 233.315 2.224 0 40 BEAB CCn1cc(C=O)c2c(C(=O)OC)cccc21 11919631 XSVWQVXVTZDKHM-UHFFFAOYSA-N 231.251 2.260 0 40 BEAB in-vitro Cc1ccc(NC(=O)N[C@H](C)CO)cc1Cl 12977867 MRULZNDXFZPVKK-MRVPVSSYSA-N 242.706 2.151 0 40 BEAB CCc1ccc(O[C@H]2CCCNC2)cc1 14631775 ZGTUBYNKHIHLET-ZDUSSCGKSA-N 205.301 2.380 0 40 BEAB COc1cc2c(cc1OC)[C@@H](N)CCCC2 19727447 ZRFAAVVYTSTEQL-NSHDSACASA-N 221.300 2.430 0 40 BEAB Nc1ccc(NC(=O)C2CCC2)c(F)c1 20157278 FJQNMIMYCNGEIB-UHFFFAOYSA-N 208.236 2.147 0 40 BEAB Cc1csc(CNC(=O)c2occc2C)n1 22282304 UMIJCSOCCYDWHF-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB COC(=O)c1ccc(F)c(NC(=O)C(C)C)c1 26496808 PANBUGYRELJCJS-UHFFFAOYSA-N 239.246 2.207 0 40 BEAB COC(=O)/C=C(/C)COCc1ccccc1 26897700 QHMCFYFWVUBHQT-FLIBITNWSA-N 220.268 2.323 0 40 BEAB Cc1cccc2c1N[C@H](c1ccccn1)NC2=O 28923417 YKYCMVFBXDKOQT-ZDUSSCGKSA-N 239.278 2.244 0 40 BEAB O=C(O)[C@H]1CCCC[C@@]1(O)c1ccccc1 34116937 VCZPUGSOJXZKIP-DGCLKSJQSA-N 220.268 2.149 0 40 BEAB O=C(O)C1(c2ccc3c(c2)OCO3)CCCC1 34940511 JBUHPCVBAHVTCW-UHFFFAOYSA-N 234.251 2.312 0 40 BEAB Cc1nnc2n1NCC=C(c1ccccc1)S2 35287313 OABJTMSUMOKIKD-UHFFFAOYSA-N 244.323 2.277 0 40 BEAB Cc1ccc(C(=O)NCc2nc(C)cs2)cn1 37143013 WQCHBXFSVWHDRA-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB C[C@H]1CCCCN1CCNC1CCCC1 37482371 NXFBXHRKACHCMC-LBPRGKRZSA-N 210.365 2.393 0 40 BEAB C1CC[C@@H](c2noc(C3CCC3)n2)NC1 40443509 DSEVMBDJOHDLBY-VIFPVBQESA-N 207.277 2.152 0 40 BEAB Cc1cc(C)cc(CN2CCC[C@H](O)C2)c1 40465768 YQVZBSNLPDHPCT-AWEZNQCLSA-N 219.328 2.260 0 40 BEAB NC(=O)c1cc(N)ccc1Nc1ccccc1 41079720 QHAFZLYCDUDIHP-UHFFFAOYSA-N 227.267 2.111 0 40 BEAB Cc1ccc(-c2ccc3nnc(S)n3n2)cc1 41631084 AJAVAUCZHZLHPN-UHFFFAOYSA-N 242.307 2.388 0 40 BEAB CCOC(=O)[C@H](C)N(C)Cc1ccccc1 43638481 UVUIFQSYHWKBHE-NSHDSACASA-N 221.300 2.070 0 40 BEAB O[C@](CF)(c1ccccc1)C(F)(F)F 44076477 DTYFNASZPQOBNS-MRVPVSSYSA-N 208.154 2.406 0 40 BEAB O=C(O)/C=C/c1ccc2c(c1)CCCO2 49591288 XSYCEFCLOFFMHS-GQCTYLIASA-N 204.225 2.109 0 40 BEAB CN[C@H](CN)c1ccc(Cl)cc1Cl 50269855 ZNSDEAVRHBLAGK-SECBINFHSA-N 219.115 2.213 0 40 BEAB CC[C@H](NC(=O)[C@@H](N)C(C)C)c1ccccc1 51628312 SJKGDKJVMHLPIT-STQMWFEESA-N 234.343 2.237 0 40 BEAB COC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 59366358 LIBKGLXSYYLLBX-LRSDLPTKSA-N 210.273 2.056 0 40 BEAB CC(C)(C)C(=O)NC[C@H](C(=O)O)c1ccccc1 61608468 RVHMXWQEVCHZPF-NSHDSACASA-N 249.310 2.017 0 40 BEAB CN1CCc2cccc(Br)c2C1=O 71494622 AEJLEPMIWNHJSN-UHFFFAOYSA-N 240.100 2.077 0 40 BEAB CNc1cnnc2ccc(Br)cc12 72221085 GQNJTVNAAWOIHN-UHFFFAOYSA-N 238.088 2.434 0 40 BEAB Cc1cncc([C@@H]2CCCN2C(=O)C2CCC2)n1 72357198 ZERQBFAFDXIJKZ-ZDUSSCGKSA-N 245.326 2.249 0 40 BEAB CC[C@H](C(=O)c1ccccc1)S(=O)(=O)CC 81907132 HRWXRMPCBSRLQW-LLVKDONJSA-N 240.324 2.083 0 40 BEAB O=C(O)[C@@H]1CCC[C@H]1NC1CCCCC1 83988121 DCLIKAUTNCNGEL-GHMZBOCLSA-N 211.305 2.162 0 40 BEAB Cc1cc(C(N)=O)ccc1NCC1CCC1 87584537 DENGXCHWFHYCFC-UHFFFAOYSA-N 218.300 2.306 0 40 BEAB Brc1c[nH]c(-c2ccncc2)n1 90470074 PBFLENGJBLSSJO-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB OC1(CNc2ncc(Cl)cn2)CCCCC1 93537806 GTNAGMFWTYYHSZ-UHFFFAOYSA-N 241.722 2.237 0 40 BEAB C[C@@H]1C[C@@H](C(=O)OC2(C)CCC2)CCC1=O 95461538 KZHQJEHEUQINIJ-ZJUUUORDSA-N 224.300 2.478 0 40 BEAB Cc1cc(CS(=O)(=O)CCCC(C)C)no1 95464216 SBBZUNZTADQHDZ-UHFFFAOYSA-N 245.344 2.334 0 40 BEAB O=C(O)c1ncccc1SC(F)(F)F 95918503 OSELKZXPXNAZCH-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB Cc1cc(CS[C@H]2CCO[C@H]2C)no1 95974156 PUQZKTBAOXMEBJ-WPRPVWTQSA-N 213.302 2.394 0 40 BEAB Cc1nsc(N2C[C@H](C)S[C@H](C)C2)n1 98013799 CRVLPIOYCGVEOD-KNVOCYPGSA-N 229.374 2.177 0 40 BEAB CN[C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100262208 STEFEEAVJHCPMZ-HPCHECBXSA-N 223.360 2.316 0 40 BEAB Cc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)o1 119160286 UNGUCYBEACYRKC-GJZGRUSLSA-N 243.306 2.336 0 40 BEAB Cc1cc(NCc2cnn(C(C)C)c2C)nn1C 256055073 ZAHYFRZYPBSIHU-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB COCCc1nsc(N2CCCCCC2)n1 301505313 COCMMMIZOIHDKL-UHFFFAOYSA-N 241.360 2.107 0 40 BEAB Cn1c(OCC(F)F)nc2ccccc21 585650574 BNVYVRSJJOLPMO-UHFFFAOYSA-N 212.199 2.217 0 40 BEAB Cc1nc(N2C3CCC2CC3)c2ccncc2n1 1888890262 VRAZKTNOQWNAKI-UHFFFAOYSA-N 240.310 2.464 0 40 BEAB Cc1ncn(-c2cccc(Br)c2)n1 2362801426 HXTSJSMZWMLFNO-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB CSc1nncc(-c2ccc(F)cc2)n1 197695 PLFFPXGECLXPAY-UHFFFAOYSA-N 221.260 2.400 0 40 BEAB CC(=O)OCC1(N2CCCC2)CCCCC1 1621766 BFXLYWSMHYVPLJ-UHFFFAOYSA-N 225.332 2.348 0 40 BEAB CCCCc1ccc(NC(=O)C(=O)NCC)cc1 2343573 NBODTLZZMOUFIZ-UHFFFAOYSA-N 248.326 2.104 0 40 BEAB O=C(Cc1ccccc1F)Nc1cccnc1 6257828 ZJASNFLYZYXNRY-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB Cc1ccccc1CNn1c(C)n[nH]c1=S 7601252 XUWQIIKYRWJEQJ-UHFFFAOYSA-N 234.328 2.301 0 40 BEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@H]2C)c1 7801434 YRMMRZLPGIMWEW-MWLCHTKSSA-N 247.294 2.376 0 40 BEAB CCc1nnc(NC(=O)Cc2ccccc2)s1 9043302 PGVVRAWSXCVVPY-UHFFFAOYSA-N 247.323 2.282 0 40 BEAB C[C@H](O)CNc1ncnc2c1oc1ccccc12 10021233 JURQUWNGFMYGIO-QMMMGPOBSA-N 243.266 2.169 0 40 BEAB CCOc1ccccc1C[C@H](C)C(=O)O 11976547 PLXQLBYDAGQKCX-VIFPVBQESA-N 208.257 2.349 0 40 BEAB CC(C)NC(=O)c1cncn1-c1ccccc1 12544308 FLHNTSCZQXFGGP-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB CCCc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 12896245 FCAJUGBVJNATGI-NSHDSACASA-N 247.294 2.077 0 40 BEAB in-vitro CC(C)C(=O)N[C@@H]1CCc2ccccc21 12946906 AUUGTFHMADXWAJ-GFCCVEGCSA-N 203.285 2.446 0 40 BEAB Clc1ncccc1OC[C@H]1CCCNC1 14631304 XNKOAGXYRIXLOZ-VIFPVBQESA-N 226.707 2.113 0 40 BEAB C[C@H]1SC2=Nc3ccccc3CN2C1=O 16608218 YJKCTIYJWWNYND-SSDOTTSWSA-N 218.281 2.152 0 40 BEAB CNc1ncnc2c1cnn2-c1ccc(C)cc1 17052436 WRRHQOXDCKADBJ-UHFFFAOYSA-N 239.282 2.166 0 40 BEAB c1ccc2c(c1)CCN2C1[C@H]2CCC[C@@H]1CNC2 19375415 SRVWVZSGTDUPKO-MZBDJJRSSA-N 242.366 2.437 0 40 BEAB CCCCCNC(=O)c1cc(N)ccc1OC 20156002 VVZMUDQWWCVFPV-UHFFFAOYSA-N 236.315 2.197 0 40 BEAB Cc1nc(-c2ccccc2)ccc1C(N)=O 21989915 VCWBUMFUHLAWES-UHFFFAOYSA-N 212.252 2.156 0 40 BEAB O=C(NC1CC1)c1ccc(CN2CCCCC2)o1 28229681 PKGDONICUVGFAJ-UHFFFAOYSA-N 248.326 2.158 0 40 BEAB O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC=CCC1 29091225 SHPXJFHWYFMWKM-GFCCVEGCSA-N 248.370 2.086 0 40 BEAB CCCn1nccc1C(=O)N1CCCC[C@@H]1C 32611530 ZNWLCYGFHPCMSH-NSHDSACASA-N 235.331 2.308 0 40 BEAB O=C1OCC[C@H]1SCc1ccccc1 32666570 BUHIWFOKIGGYTL-SNVBAGLBSA-N 208.282 2.235 0 40 BEAB C[C@H](CCc1ccco1)NC(=O)NCC1CC1 32779706 CPCSJYGUYNHVAW-SNVBAGLBSA-N 236.315 2.310 0 40 BEAB COc1ccc(C(=O)O)c(Cl)c1C 34566066 YWGWQHLSYJBRCB-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB CCOC(=O)Nc1ccc(/C=C/C(=O)O)cc1 36882043 AQDAAWKHICJXHT-VMPITWQZSA-N 235.239 2.353 0 40 BEAB CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2 38343320 KAVQNCGGFFBHEO-FGWVZKOKSA-N 240.347 2.042 0 40 BEAB Brc1scc2c1OCCO2 39953818 LECGHFZOZHNNCP-UHFFFAOYSA-N 221.075 2.282 0 40 BEAB Cc1ccc(CN(C)[C@@H]2C[C@H](C)OC2=O)cc1 40023625 JGXXCINWJJLPKY-WCQYABFASA-N 233.311 2.131 0 40 BEAB C[C@@H]1CCN(c2ccc(C(=O)O)cc2)C1 40718588 TWILPNYGUYVPFD-SECBINFHSA-N 205.257 2.231 0 40 BEAB CCN(Cc1ccccc1)C(=O)C1CC1 46082247 XUHSMJCVLKOWJW-UHFFFAOYSA-N 203.285 2.445 0 40 BEAB O=C(NCCSC1CCCC1)C1CC1 46450158 JCOIRDSTMYFJLA-UHFFFAOYSA-N 213.346 2.188 0 40 BEAB Cc1ncsc1C(=O)N[C@H](C)c1cccnc1 46741419 NBXSTPHINPEGQG-MRVPVSSYSA-N 247.323 2.338 0 40 BEAB CN(Cc1ccco1)C(=O)NCc1ccoc1 47088532 XZVNSMQFKHUKPI-UHFFFAOYSA-N 234.255 2.214 0 40 BEAB Cc1cc(C)nc(SC[C@@H]2CCCNC2)n1 51608125 OSZWGFGPMDRMPB-LLVKDONJSA-N 237.372 2.185 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)CC[C@H]21 51943435 FAFPNFIAMGOSNB-MWLCHTKSSA-N 239.315 2.365 0 40 BEAB CO[C@H](C)C(=O)N1CCC[C@H]1C1CCCC1 56035456 VANPDXBSBXOEAL-PWSUYJOCSA-N 225.332 2.203 0 40 BEAB C[C@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 59868429 LGJNBRYQEIZFMK-WCQYABFASA-N 249.310 2.168 0 40 BEAB Cn1cc(NC(=S)NC2CCCCC2)cn1 60433925 UUFMTYKSVSOXGK-UHFFFAOYSA-N 238.360 2.039 0 40 BEAB N[C@H]1C[C@H](C(F)(F)F)Oc2ccccc21 66444946 CIXHTAFKIGIRDM-IONNQARKSA-N 217.190 2.400 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(Cl)nn1 68296148 ZZJOBCNIMHAKDP-UHFFFAOYSA-N 213.668 2.115 0 40 BEAB in-vitro Cc1cc(NCc2ccco2)nc2[nH]nc(N)c12 71282080 KPBIDWJRAXTUDL-UHFFFAOYSA-N 243.270 2.054 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cccnc1C 72211285 DFJPGEFORLHCPL-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB OCC1(c2cc(-c3ccccc3)on2)CC1 72220640 GRZBGXAMJGDILF-UHFFFAOYSA-N 215.252 2.366 0 40 BEAB CCOC(=O)c1cc(NC(=O)C2CC=CC2)c[nH]1 75258941 UDHVHVZRXVHTMY-UHFFFAOYSA-N 248.282 2.096 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)CCOc1ccccc1 78536736 ABSMQPPSBRUITQ-DGCLKSJQSA-N 233.311 2.180 0 40 BEAB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1=O 95090621 WTHLCGOZBTXTTE-RKDXNWHRSA-N 227.304 2.078 0 40 BEAB in-vitro COc1cccc(/C=C/CCN2CC[C@@H](O)C2)c1 95408325 BHFKXHBCISYPBC-JBQRSBCVSA-N 247.338 2.165 0 40 BEAB Cn1cccc1[C@H](O)c1cccc(F)c1 95727831 QRUWYTSROSPKNV-GFCCVEGCSA-N 205.232 2.246 0 40 BEAB CC(C)(C)c1nccc(N[C@@H]2C=C[C@H](CO)C2)n1 97011957 RWCFUVFOVYKDJF-WDEREUQCSA-N 247.342 2.123 0 40 BEAB Fc1ccc([C@H]2CNC[C@H]2c2cc[nH]n2)cc1 98089136 NVTPVMPVSIFJTR-VXGBXAGGSA-N 231.274 2.019 0 40 BEAB CCN(C)C(=O)[C@H](C)NC[C@@H](C)c1ccccc1 188492549 FBTPPHFJGRWIMV-OLZOCXBDSA-N 248.370 2.247 0 40 BEAB C[C@@H](CNCC1(C)OCCO1)c1ccccc1 194528024 OGXGMWYFSYEFFL-LBPRGKRZSA-N 235.327 2.143 0 40 BEAB c1ccc(CN2CCN[C@@H]3CCC[C@@H]32)cc1 225716073 OMWCMAVXTQXEHA-KGLIPLIRSA-N 216.328 2.013 0 40 BEAB COCCCNCc1ccc(CC(C)C)n1C 226020116 PZFOOAAUEWAZQX-UHFFFAOYSA-N 238.375 2.350 0 40 BEAB CC(C)C[C@@H](Sc1cnn(C)c1)C(=O)O 256050056 CMBHSHILZFFWBF-SECBINFHSA-N 228.317 2.012 0 40 BEAB O=C(O)c1c(O)ccc(Cl)c1Cl 307190103 WMDBBJGLXDJZRY-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB Cc1cnn(CCN(C)Cc2ccccc2)c1 341833950 ILKIMCNHXGZUGN-UHFFFAOYSA-N 229.327 2.324 0 40 BEAB FC(F)(F)COc1ccc(C2CC2)nn1 585651120 AFYJBUAKWNEOMP-UHFFFAOYSA-N 218.178 2.295 0 40 BEAB Cn1nncc1-c1cscc1C(F)F 906195388 JAWYDTMVYHMVCZ-UHFFFAOYSA-N 215.228 2.481 0 40 BEAB CCCCOC(=S)SCCCO 2166654 SCEZBCFMLKRIIS-UHFFFAOYSA-N 208.348 2.204 0 40 BEAB Cc1occc(=O)c1OCC(=O)c1ccccc1 3128580 FBZYNGAGCSLDGM-UHFFFAOYSA-N 244.246 2.210 0 40 BEAB CCCCC(=O)Nc1nnc(-c2ccccn2)o1 4264954 YHFPRVNXOKRGIC-UHFFFAOYSA-N 246.270 2.260 0 40 BEAB CC(=N)C1=C(O)C(=O)N(C)[C@@H]1c1ccccc1 6024800 LVAOPHKPJUBHPA-LLVKDONJSA-N 230.267 2.051 0 40 BEAB biogenic Cn1cc(/C=C/C(=O)NCC2CCCCC2)cn1 9478867 SZRNTFJBEUSAMD-BQYQJAHWSA-N 247.342 2.130 0 40 BEAB Cc1ccc2c(c1)C(=O)CC1(CCNCC1)O2 11849197 ZXJOTYBVPLUTPS-UHFFFAOYSA-N 231.295 2.082 0 40 BEAB in-vitro Cn1nc(C2CC2)cc1CSCCC(=O)O 12398837 PVHPTTJLIRBJED-UHFFFAOYSA-N 240.328 2.005 0 40 BEAB CCC(C)(C)NC(=O)c1cc(C(C)=O)cn1C 12886370 HNMKPXNKYQZGMA-UHFFFAOYSA-N 236.315 2.146 0 40 BEAB CNC(=O)[C@@H](C)Sc1ccc(C)cc1 12909815 AWIDIFRURSAVSO-SECBINFHSA-N 209.314 2.222 0 40 BEAB Cc1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 13608603 BOVSVURLKFJOIB-CQSZACIVSA-N 247.338 2.223 0 40 BEAB CCOC(=O)c1nnc(CCc2ccccc2)o1 14988031 AULSQVDXJLAZKE-UHFFFAOYSA-N 246.266 2.032 0 40 BEAB CNC(=S)N1CCC[C@@H]2CCCC[C@H]21 16189321 LHMJIHHBJYOSAL-VHSXEESVSA-N 212.362 2.145 0 40 BEAB CN(Cc1cnn(C)c1)Cc1ccccc1F 16971548 BAYIRZSSEZSZMG-UHFFFAOYSA-N 233.290 2.191 0 40 BEAB OC1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 18068950 ZLLCWMLUVPYBOZ-WVJSVOLVSA-N 248.366 2.046 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1 19840611 SZFJLDUWPWRMKN-VHSXEESVSA-N 228.336 2.042 0 40 BEAB in-vitro CN[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 20283642 ZBQMTJZQSAUXMK-NXEZZACHSA-N 232.110 2.171 0 40 BEAB in-vitro O=C(O)c1ccc(C(=O)O)c(C(F)(F)F)c1 34247040 VILUXUCAKGZKCA-UHFFFAOYSA-N 234.129 2.102 0 40 BEAB Cc1nc(NC(=O)C2CCOCC2)sc1C 36391294 AHGROSWTZNIGSG-UHFFFAOYSA-N 240.328 2.125 0 40 BEAB CCOC(=O)CCOCc1ccccc1 36671017 LVOWOUOVYMJIQJ-UHFFFAOYSA-N 208.257 2.156 0 40 BEAB in-vitro Cc1cc([C@H](C)NCC(=O)NC(C)C)c(C)o1 36781654 XNSJLYSHDIJLJO-JTQLQIEISA-N 238.331 2.072 0 40 BEAB CC(C)(C)OC(=O)N1CC(=O)Nc2ccccc21 38919258 RNENMGSJRWQVLJ-UHFFFAOYSA-N 248.282 2.380 0 40 BEAB CC(C)CCNC(=O)CC[C@@H]1CCCO1 40505979 BIORZQFZNBNGIP-NSHDSACASA-N 213.321 2.108 0 40 BEAB CCn1ncc(C(=O)O)c1-c1ccccc1 42188438 LRHONBYCCYYORC-UHFFFAOYSA-N 216.240 2.268 0 40 BEAB in-vitro COC(=O)C[C@H](N)c1ccc(Cl)c(F)c1 43388700 RBFNBHWANRSGPG-VIFPVBQESA-N 231.654 2.042 0 40 BEAB COCC(=O)c1cc(C)c(OC)c(C)c1 43504818 BBZHYOOHVSPGTA-UHFFFAOYSA-N 208.257 2.141 0 40 BEAB O=C(CCCn1cccc1)Nc1nccs1 49031008 PWVQPMPEKDLDCL-UHFFFAOYSA-N 235.312 2.364 0 40 BEAB NC(=O)[C@@H](NC[C@@H]1CC=CCC1)c1ccccc1 49283082 JFKHXPUEBHNNOM-OCCSQVGLSA-N 244.338 2.159 0 40 BEAB CC[C@@H](OC)C(=O)Nc1cc(C)ccc1F 58046383 OZRIZCMZCKCPCR-LLVKDONJSA-N 225.263 2.498 0 40 BEAB COC[C@@H](C)NC(=O)Nc1cc(F)ccc1C 58282840 SIFHBGDUXKAHAB-SECBINFHSA-N 240.278 2.291 0 40 BEAB Cc1nc2cc(CN)ccc2n1C1CC1 62213984 VIJGVXICSQVKTC-UHFFFAOYSA-N 201.273 2.138 0 40 BEAB COC(=O)c1c(F)ccc(C=O)c1Cl 66325696 ZXXAAKPHNLHRRL-UHFFFAOYSA-N 216.595 2.078 0 40 BEAB NCC[C@@H]1CCCN(C2CCCCC2)C1 69626487 KAVWBYRANWAVMU-LBPRGKRZSA-N 210.365 2.380 0 40 BEAB NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 70461526 XJJWAVHPIYRHNV-UHFFFAOYSA-N 237.262 2.329 0 40 BEAB CCOC(=O)C[C@@H](c1ccccc1)N(C)C 70824033 LJVHNFLIHXPAAY-LBPRGKRZSA-N 221.300 2.243 0 40 BEAB CCC(=O)NCC(C)(C)N1CCC[C@H](CC)C1 72275258 UFCNTMWBVZEERP-LBPRGKRZSA-N 240.391 2.413 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)[nH]n1 72381465 ZURYBJFEGATKDM-MRVPVSSYSA-N 247.220 2.112 0 40 BEAB O=C(Nc1cncc(F)c1)c1ccco1 82356052 SFZALGCGSYCNSI-UHFFFAOYSA-N 206.176 2.066 0 40 BEAB CCOc1ccc(OC2(C(=O)O)CC2)cc1 85392353 WKKZAPMNHNKECE-UHFFFAOYSA-N 222.240 2.081 0 40 BEAB O=C(O)CCN1CCC[C@@H]1c1ccccc1 89828088 IGNBYRDHFRGTPA-GFCCVEGCSA-N 219.284 2.298 0 40 BEAB COC(=O)CCCn1nnc2cc(C)c(C)cc21 94993280 NUTHKNZBJCSVIC-UHFFFAOYSA-N 247.298 2.001 0 40 BEAB Nc1ccc(CCN2CCC(F)(F)C2)cc1 95644332 BJBXLZKNHLSBAJ-UHFFFAOYSA-N 226.270 2.152 0 40 BEAB CONC(=O)/C=C(\C)c1ccccc1Cl 96292630 ZCMMZLKFMQNNGX-BQYQJAHWSA-N 225.675 2.421 0 40 BEAB CCCc1ccc(Cn2ccc(N)n2)cc1 96524103 BXNIVXHTIVJQBS-UHFFFAOYSA-N 215.300 2.466 0 40 BEAB C[C@H](N[C@](C)(CO)C1CC1)c1ccco1 97045732 IEXVTNOINUVLHD-JOYOIKCWSA-N 209.289 2.091 0 40 BEAB CC[C@@H]1COCCN1C(=O)C1[C@H]2CCCC[C@H]12 102702915 LIUIAWRXCLZXMO-WOPDTQHZSA-N 237.343 2.060 0 40 BEAB O=C(O)[C@@H]1CC[C@H](C2CCCCC2)NC1 107470189 NXAYXNDUQHLYJA-GHMZBOCLSA-N 211.305 2.020 0 40 BEAB Cc1cc(C)n(C[C@H](C)CNC2CCC2)n1 134675884 KIHGWYBLRVURQH-SNVBAGLBSA-N 221.348 2.278 0 40 BEAB O=C(O)[C@H]1Cc2ssc(=S)c2C1 217899565 PKMRJSNGGOPYHZ-GSVOUGTGSA-N 218.324 2.338 0 40 BEAB O=C(O)Cc1c(F)cc(F)cc1Cl 238669915 PIYBLCCTOWFNES-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB COc1ccccc1[C@@H]1CNCCN1CC1CC1 257224376 FBOOTGMUNYRVRI-AWEZNQCLSA-N 246.354 2.052 0 40 BEAB Cn1nccc1[C@@H]1CCCCN1C(=O)C1CCC1 281373429 UIDNYSZUTIGBRB-ZDUSSCGKSA-N 247.342 2.274 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1CF 294153721 RRQCLMVUYWZSAP-MNOVXSKESA-N 211.280 2.303 0 40 BEAB CC(C)(C)OC(=O)C12CCCC(CO)(C1)C2 400555497 BCSOAVKZVJQFSH-UHFFFAOYSA-N 226.316 2.271 0 40 BEAB CCOc1ccc2[nH]cc(C)c(=O)c2c1 605700021 QQUOIWUDZRSBGY-UHFFFAOYSA-N 203.241 2.235 0 40 BEAB CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 606289693 LTDAANNGNROGHI-KOLCDFICSA-N 241.331 2.469 0 40 BEAB FC(F)(F)c1cc(NCC2CC2)ncn1 618254197 NUUISZJSOZIAID-UHFFFAOYSA-N 217.194 2.317 0 40 BEAB CC(C)CN(C)c1cc(O)nc2cccnc12 663453833 XNDLGCCDRDKDRE-UHFFFAOYSA-N 231.299 2.428 0 40 BEAB COC(=O)C1(c2cc(C)cc(C)c2)CC(=O)C1 685936994 HFFUUYAFALERSO-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB CSc1ncc(C)c(N2CCCC2)n1 1888844298 RRNZIMQWEPAKAI-UHFFFAOYSA-N 209.318 2.107 0 40 BEAB CC(=O)Nc1nc2cc(C)c(C)cc2[nH]1 96379 PPNFSQZQTMXUFA-UHFFFAOYSA-N 203.245 2.138 0 40 BEAB C[C@H]1CN(C=O)c2ccccc2-[n+]2ccsc21 384203 CBLBELQLEJAKOA-JTQLQIEISA-N 245.327 2.105 0 40 BEAB COC(=O)NCCc1c[nH]c2ccc(OC)cc12 519625 QFSLYFUBWMDPPP-UHFFFAOYSA-N 248.282 2.075 0 40 BEAB biogenic CCOC(=O)[C@@H](C)OC(=O)c1ccc(C)cc1 1613313 QYKVWRCALWZFLV-SNVBAGLBSA-N 236.267 2.103 0 40 BEAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)O 2539653 UJNOLBSYLSYIBM-IRCOFANPSA-N 228.332 2.371 0 40 BEAB OCCCCc1ccc(CCCCO)cc1 3132903 PFNAUBZCUROTHN-UHFFFAOYSA-N 222.328 2.317 0 40 BEAB O=C(O)[C@H]1CCCCN1Cc1ccccc1F 3754793 ZFWBRKWMVFIPDB-GFCCVEGCSA-N 237.274 2.265 0 40 BEAB C[C@@H]1CC(C)(C)N[C@@H]([C@@H]2CCC=CO2)O1 4803877 WEKSFFIEUWLTHJ-OUAUKWLOSA-N 211.305 2.182 0 40 BEAB O=C(O)c1ccc2c(c1)[C@H](O)c1ccccc1-2 5047770 XYGBMUJGVYGUBI-CYBMUJFWSA-N 226.231 2.447 0 40 BEAB O=c1sc2ccccc2n1C[C@@H]1CS1 5396971 DICUZNMOOWBTLR-SSDOTTSWSA-N 223.322 2.178 0 40 BEAB COc1cc2c(cc1O)[C@@H](O)CCCC2 6403770 FFQWICNPGKKCPH-JTQLQIEISA-N 208.257 2.161 0 40 BEAB CCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C 8344783 TWBIHXKBKQFLMN-UHFFFAOYSA-N 223.272 2.401 0 40 BEAB O=C(NC1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 12986340 MZUUXSKTFSBGDT-FOSCPWQOSA-N 249.354 2.441 0 40 BEAB COc1cccc2[nH]cc(CC(C)=O)c12 20269427 MJQQULLLIRFJLB-UHFFFAOYSA-N 203.241 2.308 0 40 BEAB CN(C)C(=O)c1cc(-c2ccccc2F)on1 30034087 BQAWRHFLNGXIKZ-UHFFFAOYSA-N 234.230 2.183 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H](C)n2ccnc2)C1 32719841 SMVYFMQBXXEXOV-FRRDWIJNSA-N 249.358 2.339 0 40 BEAB CC(C)c1ccc([C@@]2(C)CC(=O)NC2=O)cc1 36929050 QYDFHSLIPPLNND-CQSZACIVSA-N 231.295 2.114 0 40 BEAB in-vitro CCN(CC)c1cccc(O[C@@H]2CCNC2)c1 42775607 WBFMSHGHMANPPU-CQSZACIVSA-N 234.343 2.274 0 40 BEAB CCN[C@H](c1ccccc1)[C@H]1CCOC1 48624497 XUEJOCIXALVVRQ-QWHCGFSZSA-N 205.301 2.374 0 40 BEAB O[C@H]1CCCC[C@H]1Nc1ncnc2ccsc12 52007387 AMTKSFGJUZBUDW-SCZZXKLOSA-N 249.339 2.407 0 40 BEAB CC[C@H](C)c1noc([C@H]2CCCCN2)n1 57340797 VRWPVXKKPDTGPK-DTWKUNHWSA-N 209.293 2.398 0 40 BEAB CC(C)(C)OC(=O)N1CCC(F)CC1 71257524 DJLUMPJNBNIWSM-UHFFFAOYSA-N 203.257 2.355 0 40 BEAB in-vitro c1cc(NC2CC2)ncc1[C@@H]1CCCN1 72213760 IRQXRYADAAELTH-NSHDSACASA-N 203.289 2.080 0 40 BEAB CSc1ncccc1[C@H]1CCCN1C=O 72216929 VSIJLIQFIHRVHE-SNVBAGLBSA-N 222.313 2.097 0 40 BEAB c1ccc([C@@H]2CCCN(c3cnccn3)C2)nc1 72357092 JVZWBGRLHKZKDD-GFCCVEGCSA-N 240.310 2.256 0 40 BEAB Cc1nc2nccc(Br)c2[nH]1 76935897 JZIYBRWKMGEKFO-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CCC(=O)Nc1cncc(Br)c1 82350984 LCVFJAPOTXJYHG-UHFFFAOYSA-N 229.077 2.193 0 40 BEAB CC(=O)c1ccc(N2CCCC2)c(N)c1 82532138 BPCLNKJBAMBHQM-UHFFFAOYSA-N 204.273 2.072 0 40 BEAB NC(=S)c1ccc(F)cc1Br 83360531 JIMPQBDFPLAETL-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB CC(C)(C)OC(=O)NCc1cc(N)ccc1F 84250608 YZEYXVMJBDHOQY-UHFFFAOYSA-N 240.278 2.433 0 40 BEAB N[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 84551432 WPXZCEZLJCPGTK-LLVKDONJSA-N 242.725 2.402 0 40 BEAB CC1CC(CN)([C@@H](O)c2ccccc2)C1 85396231 HLZCBYZEUIZRQS-YDGIUTOCSA-N 205.301 2.095 0 40 BEAB Cc1cccc(C(=O)CC2OCCO2)c1C 85652253 GVHSGGZHVUCEAC-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1nccs1)C1CC1 89920456 CDPJTLQMFOROOW-FKTZTGRPSA-N 236.340 2.366 0 40 BEAB CC1CCC(N[C@H]2CCC[C@H]2CO)CC1 89922667 ZLDSKRPHSHTWKG-MVKMKZAISA-N 211.349 2.316 0 40 BEAB Brc1cncc(-c2ncco2)c1 90411144 GOAIPNFWVDIVCD-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB Cc1ccc(OC(F)(F)F)cc1CO 91252035 NIZSWVZPENQEME-UHFFFAOYSA-N 206.163 2.386 0 40 BEAB Cc1ccccc1[C@H](NCCO)C(C)C 91265623 HXQAWUCRQQRIIM-CYBMUJFWSA-N 207.317 2.274 0 40 BEAB c1cc([C@H]2CCCNC2)n(C2CCCC2)n1 95093749 AYVJLFQDWMKHNO-NSHDSACASA-N 219.332 2.465 0 40 BEAB CCC1(CC)[C@@H](N(C)C(C)=O)C[C@H]1OC 95423387 OVCBAGNIFOUREM-WDEREUQCSA-N 213.321 2.058 0 40 BEAB N[C@H](c1cccnc1Br)C1CC1 95682563 VMEPWHBKQFRJKX-QMMMGPOBSA-N 227.105 2.254 0 40 BEAB O[C@H](CCC1OCCCO1)c1cccs1 95728570 LKBATYZIZXUFQY-SECBINFHSA-N 228.313 2.325 0 40 BEAB CC(C)COc1cc(CO)cc(F)c1F 95739708 SMBVQAKGNBFKPW-UHFFFAOYSA-N 216.227 2.492 0 40 BEAB CCc1nc(OC)ccc1Br 95761468 GWLSRJOABGHOOR-UHFFFAOYSA-N 216.078 2.415 0 40 BEAB CCN1CC[C@]12CCN(CCc1ccccc1)C2 96075908 ZQOAVMWMIOCHFC-INIZCTEOSA-N 244.382 2.399 0 40 BEAB C[C@@H]1C[C@@H](C)c2ccc(OCC(=O)O)cc2N1 217612881 KBNHGSBSGMCWGC-RKDXNWHRSA-N 235.283 2.458 0 40 BEAB Cc1cc(NCCN)c2cc(F)ccc2n1 222686892 NIQWCHZKILTREC-UHFFFAOYSA-N 219.263 2.053 0 40 BEAB O=C(O)c1cc(C(F)(F)F)c(F)cc1O 238630351 MAOVXBLKXFDYGQ-UHFFFAOYSA-N 224.109 2.248 0 40 BEAB CCn1cc(CNc2cc(C3CC3)nn2C)cn1 256051885 KWZYXJWFHXYZEM-UHFFFAOYSA-N 245.330 2.126 0 40 BEAB CNC(=O)c1ccc(-c2csc(C)n2)cc1 336170006 JIFWHLDKRVXLLL-UHFFFAOYSA-N 232.308 2.478 0 40 BEAB N#Cc1cnccc1Oc1ccc(C(=O)O)cc1 399024596 IQWJDFDJVIJXLY-UHFFFAOYSA-N 240.218 2.444 0 40 BEAB CC(C)(C)OC(=O)C1CCC2(CC1)CO2 521398943 RETJLOIXVGBOIJ-UHFFFAOYSA-N 212.289 2.287 0 40 BEAB CCc1nccn1CC1CN(c2nccs2)C1 2086882909 ALMOQHSHGSCWKI-UHFFFAOYSA-N 248.355 2.038 0 40 BEAB CC(=O)N1N=C2CCCC[C@@H]2[C@@H]1C(C)C 238678 PUAQGLLTOYVTSQ-JQWIXIFHSA-N 208.305 2.419 0 40 BEAB CC(C)C(=O)OCC[C@H](C)OC(=O)C(C)C 1583992 LAMCKTKYVYSYRX-JTQLQIEISA-N 230.304 2.163 0 40 BEAB CCCN(CC1CC1)Cn1ncn(C)c1=S 3258071 KWROCWBDCNLQQZ-UHFFFAOYSA-N 240.376 2.031 0 40 BEAB O=C1NC(c2ccccc2)=N/C1=C\c1ccco1 4653603 UKRXBEYPBBEKBK-XFXZXTDPSA-N 238.246 2.197 0 40 BEAB COC(=O)C(=C(C)C)[S@](=O)c1ccccc1 5460217 PLIXTMQJPJQWCV-INIZCTEOSA-N 238.308 2.261 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)CC12OCC(O)CO2 6031075 GECFTYLLVUKXOY-IGJPJIBNSA-N 228.332 2.183 0 40 BEAB endogenous,in-man CNC(=O)CSc1cc(C)ccc1C 12927453 UOLYVYSADZMMRT-UHFFFAOYSA-N 209.314 2.142 0 40 BEAB Nc1cccc(Cl)c1OC[C@@H]1CCCO1 14629216 LEFOYQWVEPKGCG-QMMMGPOBSA-N 227.691 2.480 0 40 BEAB COc1cnc(C(=O)Nc2ccccc2)cc1O 16968401 NXBQTXFLZGAWDP-UHFFFAOYSA-N 244.250 2.048 0 40 BEAB CC[C@@H](C(=O)N1CCC(N)CC1)c1ccccc1 19402569 BIJWTMSEBYWEAD-CQSZACIVSA-N 246.354 2.130 0 40 BEAB in-vitro CC(C)Cn1c(CN)nc2ccccc21 19734173 PGHUMDTVWDGGRA-UHFFFAOYSA-N 203.289 2.151 0 40 BEAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)O 21953708 DDTXFURAOJJXQX-UHFFFAOYSA-N 248.257 2.255 0 40 BEAB CCC(=O)c1ccc(OCCC(=O)O)cc1 22148785 JZAFFXNUPACUTQ-UHFFFAOYSA-N 222.240 2.133 0 40 BEAB Cc1cc(NC(=O)CNc2ccc(F)cc2)on1 24223929 KOEDNADOBUZGDH-UHFFFAOYSA-N 249.245 2.173 0 40 BEAB Fc1ccccc1-c1nnc([C@@H]2CCCNC2)o1 32102798 SOMLLHTWKDKVKX-SECBINFHSA-N 247.273 2.343 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cccnc1OC 32755112 XJQFFKRGGQZTPL-NSHDSACASA-N 248.326 2.495 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCc2ccccc2C1 32975424 UPIKJVYTQDOKCW-GXFFZTMASA-N 215.296 2.227 0 40 BEAB O=C(O)CCc1csc(-c2ccncc2)n1 33465118 FJYVYCQIIKHALW-UHFFFAOYSA-N 234.280 2.222 0 40 BEAB NC[C@H](CCO)c1ccc(Cl)c(Cl)c1 33962123 LGIGCDLFWQIHLQ-QMMMGPOBSA-N 234.126 2.418 0 40 BEAB Cc1cncc(C(=O)N2CCC[C@@H]2C)c1 34116345 SFSGFYFLNUMYBX-JTQLQIEISA-N 204.273 2.015 0 40 BEAB Cc1cc(C(=O)O)c(C)n1C1CCOCC1 36308342 QRNGMKSVMXQJJD-UHFFFAOYSA-N 223.272 2.155 0 40 BEAB in-vitro O=c1ccnc(-c2cccc(C(F)(F)F)c2)[nH]1 36882084 LZFFMRSTLMMQPT-UHFFFAOYSA-N 240.184 2.456 0 40 BEAB CN[C@H](CO)c1c(Cl)cccc1Cl 38121200 YPXNWLRSDRZHBJ-MRVPVSSYSA-N 220.099 2.246 0 40 BEAB CN(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 39325939 JGMMNOYMEULLTJ-LLVKDONJSA-N 242.363 2.195 0 40 BEAB COC[C@H](C)NC(=O)/C=C/c1cccc(C)c1 40161023 MBFQFDNIHYBWHT-GUOLPTJISA-N 233.311 2.159 0 40 BEAB O=C(O)[C@@H](CN1CCCCC1)c1ccccc1 41260793 BNMBKKRLDZILKN-ZDUSSCGKSA-N 233.311 2.341 0 40 BEAB CC(C)CNC(=O)c1csc(-n2cccc2)n1 44448347 KGGDTIVPBRCHDB-UHFFFAOYSA-N 249.339 2.320 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 48056629 BBMPPFABSXELKV-GXFFZTMASA-N 241.331 2.016 0 40 BEAB CCc1n[nH]c(-c2ccc(OC)c(OC)c2)n1 48630653 ABAJSHZNBHLREF-UHFFFAOYSA-N 233.271 2.051 0 40 BEAB FC(F)Oc1ccc([C@H]2CCNC2)cc1 50267055 YKEWXCSUGXAEBD-VIFPVBQESA-N 213.227 2.365 0 40 BEAB S=C(NC1CC1)N[C@@H]1C[C@H]1c1ccccc1 63175154 CWOPSMMWFMVWTI-NWDGAFQWSA-N 232.352 2.169 0 40 BEAB CC(C)OCCN1CCC(c2ccn[nH]2)CC1 65479666 MYUYNUYBNSCDCZ-UHFFFAOYSA-N 237.347 2.014 0 40 BEAB COc1ccc([C@@H](O)[C@@H]2CCCCCN2)cc1 70193629 MZVOWTORNJFDSP-UONOGXRCSA-N 235.327 2.261 0 40 BEAB Cc1ccc([C@H](N)C(=O)O)c2ccccc12 72196220 LIJRJVOMQPVFMT-LBPRGKRZSA-N 215.252 2.233 0 40 BEAB CN1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213763 MGBUQNKEGUXJQF-GFCCVEGCSA-N 217.316 2.423 0 40 BEAB C1=C(c2nc3ccccc3o2)CCNC1 72260270 HZFMMTSHDVYHRG-UHFFFAOYSA-N 200.241 2.205 0 40 BEAB Nc1nn(-c2cccc(Cl)c2)nc1Cl 89261957 OHYQVCOVQFTTNC-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB CCc1n[nH]c(NCc2ccncc2)c1C 89280093 UTMJXCUAUUQIIE-UHFFFAOYSA-N 216.288 2.288 0 40 BEAB COc1ccncc1NCc1nc(C)cs1 95430862 ONPYUOFEMPTFTJ-UHFFFAOYSA-N 235.312 2.467 0 40 BEAB COC(=O)CCC(=O)c1ccc(C)s1 95729493 MCJOECNOUKIFNV-UHFFFAOYSA-N 212.270 2.192 0 40 BEAB Cc1cc(NC(=O)CC[C@@H]2CCCO2)sn1 96449156 VGMLQBOCSUBXCC-VIFPVBQESA-N 240.328 2.349 0 40 BEAB CCCn1cc(CNc2cc(C)on2)cn1 96495317 RHOHFJXYBYAZFN-UHFFFAOYSA-N 220.276 2.202 0 40 BEAB CC[C@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1 97047198 DYIZHOFSGISING-ZIAGYGMSSA-N 247.338 2.067 0 40 BEAB O=C(OC[C@H]1CCOC1)C1=CCCCCC1 97164077 AWIFFHQGTHSVDO-NSHDSACASA-N 224.300 2.457 0 40 BEAB O=C1[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@H]3[C@@H]1[C@@H]5C(Cl)(Cl)[C@@H]24 102942829 LOPCDUAQBZDNKR-ZVBYGJKFSA-N 229.106 2.117 0 40 BEAB CO[C@@H](C(=O)O)c1ccc2occc2c1 107199162 VABYUELQWVZEKH-SNVBAGLBSA-N 206.197 2.205 0 40 BEAB C[C@H](O)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 131711910 NJXCCGHKHZEURI-SRRSOLGSSA-N 211.349 2.172 0 40 BEAB O=C(O)C[C@H]1CC(=O)c2ccc(Cl)cc21 199554960 BTWMDBGRJAYOEG-ZCFIWIBFSA-N 224.643 2.485 0 40 BEAB Cc1cnc(F)c(C(=O)C(F)(F)F)c1 199741883 JZAIKDJCFVJPTL-UHFFFAOYSA-N 207.126 2.274 0 40 BEAB COC(=O)c1cc(Cl)c2nccnc2c1 217718933 ZZFRCVUHEMKBFH-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB CO[C@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225081204 MGUKLGKTDPFVIS-SNVBAGLBSA-N 228.675 2.291 0 40 BEAB CC(C)OC(=O)c1cc(N)ccc1NC1CC1 225455723 DHHKSTOFKLEJBI-UHFFFAOYSA-N 234.299 2.408 0 40 BEAB Cc1cc(N)cc2nc(-c3ccc[n+](C)c3)oc12 226778110 JMWFHRSHPURGII-UHFFFAOYSA-N 240.286 2.210 0 40 BEAB COc1ccc(C)c(Br)n1 238361465 FORSMPIAYBQWBN-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB CCN(Cc1ncnn1C)[C@@H]1CCCC[C@H]1C 249389364 QNBPOLPSAUQBNX-VXGBXAGGSA-N 236.363 2.216 0 40 BEAB CSc1nnc(COc2ccccc2)o1 408621467 MLOFFOVCBCLJBY-UHFFFAOYSA-N 222.269 2.371 0 40 BEAB COc1nc2c(F)cccc2cc1C(=O)O 527420447 JGRGYLIOUGNXAH-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB CO[C@H]1CCN(Cc2ccnc3ccccc23)C1 536668073 XXLOQKOJJZBNSJ-ZDUSSCGKSA-N 242.322 2.456 0 40 BEAB Cc1cccc(C(=O)Nc2nccc(C)n2)c1 363101 IEOKHOIYSTURGD-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB CC(=O)C[C@@H](C(=O)O)c1c[nH]c2ccccc12 518057 BKIUZZPRRUFEPJ-SNVBAGLBSA-N 231.251 2.315 0 40 BEAB biogenic O=C1Nc2ncnc(Cl)c2Cc2ccccc21 1852054 HMYYBDZQZVNGKQ-UHFFFAOYSA-N 245.669 2.287 0 40 BEAB Cc1c/c(=N\N)c2c(Cl)ccc(C)c2[nH]1 2564408 CZTFLMZEENYGNI-UHFFFAOYSA-N 221.691 2.213 0 40 BEAB O=C1Oc2ccccc2[C@]2(O)[C@@H]1[C@H]1CCCC[C@H]12 4114249 RQWNVDAJWFMNDY-VWFLFCASSA-N 244.290 2.229 0 40 BEAB Oc1c(-c2ccccc2)sc2nccc[n+]12 4996300 XTPQISKRYQWPHE-UHFFFAOYSA-O 229.284 2.254 0 40 BEAB CC1(C)C[C@@]23[C@H]4COC(=O)[C@@H]2CC[C@@H]1[C@@H]3CC4=O 5430540 BBIDMUQZCCGABN-ZWTNMXRYSA-N 248.322 2.191 0 40 BEAB CC[C@H]1CCCCN1c1ccc(N)cn1 11568757 IUMXSODXNVPVLC-NSHDSACASA-N 205.305 2.433 0 40 BEAB O=C(O)CN1CCC[C@@H]1C1CCCCC1 12398647 VPAULUYZUDTELY-LLVKDONJSA-N 211.305 2.116 0 40 BEAB Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 12505635 ZZBFIMROWBQANF-UHFFFAOYSA-N 246.289 2.393 0 40 BEAB CCCNC(=O)c1ccc2c(c1)CCC2 12940381 MQLCAUBKNUDSJI-UHFFFAOYSA-N 203.285 2.315 0 40 BEAB C[C@@H](CCCCC[C@H]1C=CC(=O)O1)[C@@H](C)O 14490836 AEPMKZIOUKHDOO-TUAOUCFPSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro CC[C@@H](C)C(=O)c1c(O)cc(O)c(C)c1O 14593822 XGJQNJPFHJCFDN-ZCFIWIBFSA-N 224.256 2.341 0 40 BEAB biogenic Clc1ncccc1OC[C@@H]1CCCNC1 14631302 XNKOAGXYRIXLOZ-SECBINFHSA-N 226.707 2.113 0 40 BEAB CC(=O)NC1CCC(C(F)(F)F)CC1 17000050 GJBIEGQZZPKFQR-UHFFFAOYSA-N 209.211 2.244 0 40 BEAB CCN(C(=O)[C@@H]1CCCCN1)C1CCCCC1 19516637 SIBPDJGGDYDFBX-ZDUSSCGKSA-N 238.375 2.310 0 40 BEAB COc1ccc(C(=O)N2CCCC[C@H]2C)c(O)c1 19837067 OACHEMOEZZSLOW-SNVBAGLBSA-N 249.310 2.415 0 40 BEAB COC[C@@H](C)N[C@@H]1CCc2ccccc21 19904697 KSJZQTRNAXEHLG-ZWNOBZJWSA-N 205.301 2.298 0 40 BEAB COC(=O)Cc1ccc(OC)c(Cl)c1 20134246 LJMHFESNTLDPNK-UHFFFAOYSA-N 214.648 2.064 0 40 BEAB C[C@H]1CCCCN1CC[C@@H]1CCCCN1 20180472 MFXXXBLYRBZJGN-STQMWFEESA-N 210.365 2.393 0 40 BEAB O=C(Nc1cccc2cn[nH]c12)C1CCC1 25713061 XQBCDQKGOCMVKB-UHFFFAOYSA-N 215.256 2.302 0 40 BEAB NC(=O)[C@H](c1ccccc1)N1CCCCCC1 26160325 HVTQWFVIFXGMEQ-ZDUSSCGKSA-N 232.327 2.089 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C)o1 33024044 HSLOQPQVCFLQIG-KCJUWKMLSA-N 207.273 2.202 0 40 BEAB CCc1ccc(C(=O)NCc2ccco2)o1 36393903 NDJQIZQEPJXYHG-UHFFFAOYSA-N 219.240 2.365 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)cn1 36397205 DWXIXFLDPYVDTF-NSHDSACASA-N 244.294 2.344 0 40 BEAB O=C(C[C@@H]1C=CCC1)NCc1ccco1 40465272 AMAGZYZORFFDSF-SNVBAGLBSA-N 205.257 2.252 0 40 BEAB C[C@](O)(c1ccc(O)cc1)C(F)(F)F 43368153 WNKAWMMGLNHYRT-QMMMGPOBSA-N 206.163 2.162 0 40 BEAB in-vitro FC(F)(F)[C@@H]1CC[C@@H](C(F)(F)F)N1 47845113 FZRPBFXDCLGOOC-IMJSIDKUSA-N 207.117 2.232 0 40 BEAB COC(=O)[C@H](C)SCc1ccccc1 47874039 IBJSJDJXJTUZBY-VIFPVBQESA-N 210.298 2.481 0 40 BEAB CSCC(=O)c1[nH]c(C)c(C(C)=O)c1C 47895707 LISAKXSGNVQKOL-UHFFFAOYSA-N 225.313 2.380 0 40 BEAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(O)c1 49545430 QPAMSFAGDIGEJV-SNVBAGLBSA-N 243.266 2.249 0 40 BEAB Cc1c(C(=O)N2CCCCCCC2)cnn1C 54610428 FPZPKGBWELDUJZ-UHFFFAOYSA-N 235.331 2.135 0 40 BEAB COc1cccc(CCCNC(=O)C(C)C)c1 66436422 GRQMJHQICPDYJO-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CNCC[C@H]2C)c1C 71412516 BXPMLCHPRUILLL-RISCZKNCSA-N 246.354 2.031 0 40 BEAB CCOC(=O)c1nnc([C@@H](C)CC)s1 72206866 LXTVPGALBBXMHK-LURJTMIESA-N 214.290 2.228 0 40 BEAB CCCC(=O)OCC(F)(F)C(F)F 72265737 IBQNYGIRAZKFHM-UHFFFAOYSA-N 202.147 2.230 0 40 BEAB CC(C)c1nn(C)c(C(=O)O)c1Br 72324027 KAYGVAOJLCKAEQ-UHFFFAOYSA-N 247.092 2.004 0 40 BEAB NCc1ccc([C@@H](O)c2cccs2)s1 75468606 JMPVNIPMSRUIQG-JTQLQIEISA-N 225.338 2.350 0 40 BEAB C[C@H](c1cc(F)ccc1F)N(C)CC(=O)O 82249580 RPNWETGVFDFBSQ-SSDOTTSWSA-N 229.226 2.042 0 40 BEAB c1ccc(CN2CC[C@@H]3CNCC[C@@H]3C2)cc1 83328876 HMEQPPDSBRYYKW-HUUCEWRRSA-N 230.355 2.118 0 40 BEAB in-vitro Fc1cccc(F)c1OCCC1OCCCO1 89064035 VBPGCLSJQHQLDK-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nc1 95448444 ZTECGFYZKXSCBM-PWSUYJOCSA-N 246.310 2.334 0 40 BEAB CCCC[C@@H](CC)CN1CCNC[C@H]1C 134850841 CTEYDSHQPCHLCV-CHWSQXEVSA-N 212.381 2.497 0 40 BEAB O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]21 145565577 PTJMSNXGHGOXPN-RYUDHWBXSA-N 217.268 2.417 0 40 BEAB CC1=NN(C(=S)c2ccccc2)[C@](C)(O)[C@H]1C 150199948 INXJHTGIABOSIG-TVQRCGJNSA-N 248.351 2.398 0 40 BEAB CN(CCc1ccccn1)Cc1ccc(O)cc1 195575963 PZPSPAZDSADACX-UHFFFAOYSA-N 242.322 2.462 0 40 BEAB CCOc1ccc2nccc(NCCCN)c2c1 222681587 WAZKXPYZQVNODR-UHFFFAOYSA-N 245.326 2.394 0 40 BEAB Cc1cc(NCc2cccs2)n(C)n1 237758168 PZHXALJHSGRJGF-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB Cc1cn(C)nc1NCc1cccs1 256052262 MPPJQJZXSAKMGM-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB CCOC(=O)c1cccc(C(=O)C(F)F)c1 309461557 RATLYMJGEBOBLL-UHFFFAOYSA-N 228.194 2.311 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](CO)C[C@@H]21 953119705 DJGRWWPSKGQVAE-AXFHLTTASA-N 241.331 2.014 0 40 BEAB CC(C)c1nccn1-c1nccn2nccc12 1565522278 FRMLEJKCUTZEKM-UHFFFAOYSA-N 227.271 2.038 0 40 BEAB O=C(O)[C@H](Sc1ncccn1)c1ccccc1 128057 YOENNECCQWXNRA-SNVBAGLBSA-N 246.291 2.395 0 40 BEAB Cc1cc(C)c(C)c(OC(=O)N2CCOCC2)c1 152074 VJJJVHDORAPSRY-UHFFFAOYSA-N 249.310 2.443 0 40 BEAB O=C(NC[C@H](O)c1ccccc1)c1cccs1 152706 SODWLFGVFNKBBJ-NSHDSACASA-N 247.319 2.212 0 40 BEAB CCOC(=O)N1CCC[C@H]1c1cccnc1 159608 NESBODWIJLONJA-NSHDSACASA-N 220.272 2.375 0 40 BEAB biogenic,in-vitro CCCC(=O)Nc1nnc(-c2cccnc2)s1 377554 VXUUSNIUMWDGKE-UHFFFAOYSA-N 248.311 2.339 0 40 BEAB COc1ccccc1C(=O)NCc1ccncc1 550033 WBAFEJVGFIXKFD-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB C[C@@H](NC(=S)N(C)C)c1ccccc1 1410950 LHHDYYXEQTZEMF-SECBINFHSA-N 208.330 2.184 0 40 BEAB O=C1CCC[C@@H]2COc3ccc(O)c1c32 1617863 ZVQWOUKRMWTTAE-SSDOTTSWSA-N 204.225 2.235 0 40 BEAB CCOC(=O)[C@H](O)c1ccc(C(C)C)cc1 1683600 JVNUHPNUJLOTPY-GFCCVEGCSA-N 222.284 2.407 0 40 BEAB CCOP(=O)(OCC)N1[C@@H](C)[C@@H]1C 1870257 SUZAKHPLQPCLTL-YUMQZZPRSA-N 207.210 2.260 0 40 BEAB O=C(NCCc1ccccc1)c1ccccn1 3334151 RJIWORZDUGBXNH-UHFFFAOYSA-N 226.279 2.054 0 40 BEAB CC(C)c1ccc(N2C(=O)[C@H](C)NC2=S)cc1 4206694 IJXWITBMUVNKRK-VIFPVBQESA-N 248.351 2.420 0 40 BEAB in-vitro C1CC[C@H]2[C@@H](NC3=NCCO3)CCC[C@H]2C1 5189997 ARGKDOYQHZOQEK-UTUOFQBUSA-N 222.332 2.321 0 40 BEAB C[C@H]1CN(c2c(N)cccc2Cl)C[C@@H](C)N1 8702459 QCAINOAXOOQETG-DTORHVGOSA-N 239.750 2.109 0 40 BEAB Cc1ccc(CNC(=O)n2ccnc2)cc1F 12481346 PXNUYZKLYMTYSC-UHFFFAOYSA-N 233.246 2.089 0 40 BEAB CCCNC(=O)c1cnn(-c2ccccc2)c1 12861901 SLYWAMWALCWMMU-UHFFFAOYSA-N 229.283 2.012 0 40 BEAB O=C(c1ccc(Cl)cc1O)N1CCCC1 12904517 USPPAGQZBDVLAU-UHFFFAOYSA-N 225.675 2.282 0 40 BEAB Cc1ccc(N[C@H]2C[C@H](C)NC(S)=N2)cc1 13686462 DTYOZCJJILFVHX-GXSJLCMTSA-N 235.356 2.401 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1 16603976 CFKIOTBWINBACY-VHSXEESVSA-N 239.340 2.354 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 19259948 ZDRALVAQVOKKAX-SSDOTTSWSA-N 210.252 2.393 0 40 BEAB CC[C@@H](C)NCc1ccc(OC)c(O)c1 19881880 QRSHSNRBDHBUGQ-SECBINFHSA-N 209.289 2.289 0 40 BEAB COC(=O)c1ccc(O)c2ccccc12 21984020 IVAXJJJTBDVHEA-UHFFFAOYSA-N 202.209 2.332 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1cccnc1 24332674 UHLYJDKZGDKANU-JTQLQIEISA-N 202.257 2.376 0 40 BEAB CCc1c(-c2ccc(OC)c(OC)c2)n[nH]c1N 26511419 LMFHKAISKBKJMN-UHFFFAOYSA-N 247.298 2.239 0 40 BEAB C[C@H]1CCCCN1C(=O)CCc1cccnc1 32747827 DVQLDHPAZCPTPC-LBPRGKRZSA-N 232.327 2.415 0 40 BEAB CCOC(=O)Cc1c[nH]c2ccc(F)cc12 35086852 FYNLEVUFIFSEEW-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB O=C(O)c1ccc2c(c1)ncn2CC(F)(F)F 35207775 OYZMCALQEGWLIN-UHFFFAOYSA-N 244.172 2.297 0 40 BEAB COc1ccc(C[C@H](C)NC2CC2)cc1 35647596 JJYLABKQLVGIPX-JTQLQIEISA-N 205.301 2.378 0 40 BEAB C[C@H](CC(=O)O)N1CCCc2ccccc21 35752081 IJMJLAWKVGWSMG-SNVBAGLBSA-N 219.284 2.302 0 40 BEAB in-vitro Cc1oc(-c2ccccc2F)nc1C(=O)O 39200909 ZNRMZNOYTOYDBR-UHFFFAOYSA-N 221.187 2.487 0 40 BEAB in-vitro O=C(CC1CCCC1)NCCc1cccnc1 40490440 RMIXGGUIFQLKHO-UHFFFAOYSA-N 232.327 2.321 0 40 BEAB O=C(NC1(c2ccc(F)cc2)CC1)C1CC1 41571224 VACWYWLKUGSICX-UHFFFAOYSA-N 219.259 2.341 0 40 BEAB CC[C@H](C)C(=O)NCc1ccc(F)cc1 55276259 JHIXCTOJMBCALG-VIFPVBQESA-N 209.264 2.488 0 40 BEAB CNC(=O)C1(c2ccc(Cl)cc2)CC1 58244923 OMRUAAUIXDGNFK-UHFFFAOYSA-N 209.676 2.118 0 40 BEAB CC[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1 69493086 ZPCYUQCSVNTKTK-GJZGRUSLSA-N 248.370 2.058 0 40 BEAB O=C(CC[C@H]1CCCN1)Nc1ccccc1 72208141 ZFRPSSIORAVKLI-LLVKDONJSA-N 218.300 2.157 0 40 BEAB c1cnc(N2CCCCC2)c([C@H]2CCCN2)c1 72216085 BDZBZRAHCMIYOY-CYBMUJFWSA-N 231.343 2.496 0 40 BEAB CCOc1ccc2ncc(CO)cc2c1 72226650 CYEQCVIIALEQDW-UHFFFAOYSA-N 203.241 2.126 0 40 BEAB Cc1cc(Br)c2c(c1)CC(=O)N2 77989777 ZVTQQHRJVQKHPE-UHFFFAOYSA-N 226.073 2.252 0 40 BEAB C[C@H]1CCCN(c2cc(C3CC3)nc(N)n2)C1 78404613 LEUPOUHAXVHUFO-VIFPVBQESA-N 232.331 2.173 0 40 BEAB N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 79776717 YIWYYJSTUDOPBR-SECBINFHSA-N 249.264 2.102 0 40 BEAB CCCC[C@@H](CC)CNC(=O)N[C@@H](CC)CO 84742940 LUCJWJGLCCSFHO-NEPJUHHUSA-N 244.379 2.273 0 40 BEAB Cc1ncsc1CCS(=O)(=O)CC(C)C 86165834 KINQXNNFMORXRU-UHFFFAOYSA-N 247.385 2.065 0 40 BEAB CCc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 89289685 GPYOOMOIOONBGH-GHMZBOCLSA-N 238.356 2.241 0 40 BEAB Cc1ccc(CC(=O)N[C@H](C)C2CC2)cc1O 89434075 WNQKTPVMDAXQDD-SNVBAGLBSA-N 233.311 2.158 0 40 BEAB CCOC(=O)c1ccc(-n2ccccc2=O)cc1 90470736 CKDQOLXPJHYYJB-UHFFFAOYSA-N 243.262 2.014 0 40 BEAB NCc1cncc(SC(F)(F)F)c1 91252769 AQTHILZTMBVMSK-UHFFFAOYSA-N 208.208 2.152 0 40 BEAB Cc1ccnc(N2C[C@H]3CC=CC[C@H]3C2)n1 95403291 LUDGTJPRFHDHSF-TXEJJXNPSA-N 215.300 2.187 0 40 BEAB Cc1cccc(Oc2nn(C)cc2N)c1 95836618 NKBIIVVRNTWAOY-UHFFFAOYSA-N 203.245 2.103 0 40 BEAB Cc1cc(C(=O)N2CC3(CCCCC3)C2)no1 96003916 JRYSSAIPGKSMJW-UHFFFAOYSA-N 234.299 2.389 0 40 BEAB O=C(O)c1csc(/C=C/c2cccnc2)n1 96403895 JDPGQAZMJDWMSL-ONEGZZNKSA-N 232.264 2.407 0 40 BEAB CCn1cc(C(=O)OC2(C3CC3)CC2)cn1 96459788 XOQLZRNEHRWQBZ-UHFFFAOYSA-N 220.272 2.002 0 40 BEAB O=c1[nH]cc(Br)c2ccc(F)cc12 96835775 AEKGMZZJCXAEJY-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB in-vitro O=C1NCCC[C@H]1Cc1ccc(Cl)cc1 97054257 QVDRQHFCYJKQPG-JTQLQIEISA-N 223.703 2.409 0 40 BEAB in-vitro CN(C)C(=O)c1cccc(OC(F)(F)F)c1 104285800 JHYNZPVDPGBRAZ-UHFFFAOYSA-N 233.189 2.287 0 40 BEAB CNC(=O)CSCc1ccc(Cl)c(F)c1 190868372 GJARHJFMBNGYPC-UHFFFAOYSA-N 247.722 2.458 0 40 BEAB Cc1c(-c2cccc(N)c2)nc2ncccn12 217504463 SXYFGKSDEZKXQX-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB CC(C)CNCc1cccc2c1CCN2C 217518225 FWSIBYXSOSPIPY-UHFFFAOYSA-N 218.344 2.425 0 40 BEAB N[C@@H]1CCCC[C@@H]1NCCc1ccccc1 218853281 MDLZPTBFVRHYHS-KGLIPLIRSA-N 218.344 2.089 0 40 BEAB N[C@@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 218884915 SGLYJMFKFVWGQM-GHMZBOCLSA-N 212.243 2.257 0 40 BEAB Cc1nc(C(C)C)ncc1C(=O)N1CCCC1 222573240 XRHADIDUPHLPLJ-UHFFFAOYSA-N 233.315 2.144 0 40 BEAB CCCO[C@@H](Cc1cccc(C)c1)C(=O)O 225019139 LCFRTCZJRODJKG-LBPRGKRZSA-N 222.284 2.417 0 40 BEAB C[C@@H](Cn1ncc(Cl)c1C(F)F)C(=O)O 408715269 AJVPCUXZMTUEOQ-BYPYZUCNSA-N 238.621 2.195 0 40 BEAB COc1ccc2c(c1)[C@@H]1ON=C[C@H]1CC2 408721913 BIJUKCPADWBNRC-BXKDBHETSA-N 203.241 2.315 0 40 BEAB Cc1ccncc1-c1cc2cn[nH]c2cn1 498050493 FXBVYFIBJIVLHT-UHFFFAOYSA-N 210.240 2.328 0 40 BEAB c1ccc2sc(O[C@H]3CCOC3)nc2c1 585655193 WJBVIEBXLMJGSW-QMMMGPOBSA-N 221.281 2.464 0 40 BEAB Cc1cc(CC(N)=O)cc(C)c1OC(C)C 685937770 QDQKEUWRZULNGY-UHFFFAOYSA-N 221.300 2.118 0 40 BEAB Cc1ccc(OC[C@]2(O)CCN(C(C)C)C2)cc1 1615192266 NNQDJZZPNZPFFH-HNNXBMFYSA-N 249.354 2.219 0 40 BEAB CSc1nc(C)cc(OC(F)F)n1 67541 HGJRGQWMXBGPDK-UHFFFAOYSA-N 206.217 2.108 0 40 BEAB O=c1[nH]c2cc(Cl)cc(Cl)c2[nH]1 306676 IQVUIJYEKLITAF-UHFFFAOYSA-N 203.028 2.163 0 40 BEAB COCC(=O)Nc1cccc(Cl)c1C 361764 YMYOSZKKLWFPFZ-UHFFFAOYSA-N 213.664 2.233 0 40 BEAB ClC(Cl)(Cl)C1OCCCO1 368980 IWOSRLINTKNKTP-UHFFFAOYSA-N 205.468 2.120 0 40 BEAB CCOc1c(OC)ccc(C(C)=O)c1O 1594120 MULBCKXSYFUDDR-UHFFFAOYSA-N 210.229 2.002 0 40 BEAB Oc1cccc(-c2ccc(O)cc2O)c1 2507906 HYFWTVWZCZMWEZ-UHFFFAOYSA-N 202.209 2.470 0 40 BEAB C[C@@H]1CN2c3ccccc3C(C)(C)[C@@]2(C)NC1=O 5912329 AEHJWSHZRUZMLG-BMIGLBTASA-N 244.338 2.266 0 40 BEAB biogenic C/C=C/C=C/C(=O)Nc1ccc(OC)nc1 6252765 CXJQDNPDQJGKLL-VNKDHWASSA-N 218.256 2.161 0 40 BEAB Cc1ccc(Nc2ncc(C=O)cn2)cc1 8702931 AJFUBBQVCXUYTD-UHFFFAOYSA-N 213.240 2.341 0 40 BEAB O=C(CCc1ccccc1)Nc1ncccc1O 9694425 SENFLNKMXCHBNG-UHFFFAOYSA-N 242.278 2.359 0 40 BEAB CC(C)NC(=O)N1CCc2ccccc2C1 17115061 PFGACPZFOYBJLA-UHFFFAOYSA-N 218.300 2.163 0 40 BEAB Cc1ccnc(N/C=C/c2cccc[n+]2[O-])c1 17429428 VYAAPVXSCNPLCW-SOFGYWHQSA-N 227.267 2.106 0 40 BEAB CN(C)c1ccc(Nc2ncccc2N)cc1 20317773 QAVIXBSTPWGHHU-UHFFFAOYSA-N 228.299 2.473 0 40 BEAB Cc1c(C=O)c(C)n(C[C@H]2CCCO2)c1C 22122453 RTCIMGGSQZVQNQ-GFCCVEGCSA-N 221.300 2.405 0 40 BEAB CC(C)=CC(=O)Nc1nnc(C2CC2)s1 22896481 JBBZIUCNPOQEMX-UHFFFAOYSA-N 223.301 2.320 0 40 BEAB C[C@@H](C(=O)N[C@H](C)c1cccs1)n1cccn1 28428749 BVERBSAYYGAHSN-ZJUUUORDSA-N 249.339 2.383 0 40 BEAB Cc1cc(NC(=O)NC2CCCC2)no1 31050603 HQFFIFAOOYFHAB-UHFFFAOYSA-N 209.249 2.047 0 40 BEAB CC(=O)NCCCNCc1cc2ccccc2o1 32776915 DZAHFROTZDLFJQ-UHFFFAOYSA-N 246.310 2.049 0 40 BEAB CCCC(=O)N1CCO[C@H](c2ccccc2)C1 36076014 MDPDTDCSFSZNRK-ZDUSSCGKSA-N 233.311 2.387 0 40 BEAB Cn1ccnc1CNc1ccc(F)c(F)c1F 36804562 PCRSPGAFWMSDJI-UHFFFAOYSA-N 241.216 2.450 0 40 BEAB CCN(CC)[C@@H](Cc1ccccc1)C(=O)O 37361258 OIJSDANCPHWBIZ-LBPRGKRZSA-N 221.300 2.024 0 40 BEAB Nc1nccn1Cc1ccccc1Cl 37483165 SEEGGIGSOUKHRQ-UHFFFAOYSA-N 207.664 2.167 0 40 BEAB in-vitro Nc1cc(F)ccc1-c1n[nH]c(C2CC2)n1 41058759 YRWDODWUCJPMKV-UHFFFAOYSA-N 218.235 2.070 0 40 BEAB COc1ccc(-c2ccccc2)cc1C(N)=O 57339954 QLRROIDAOAVZON-UHFFFAOYSA-N 227.263 2.461 0 40 BEAB CNCC1CCN(C(=O)Nc2ccccc2)CC1 63159694 ORIPTGMYEXGGGW-UHFFFAOYSA-N 247.342 2.150 0 40 BEAB in-vitro CCC[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C 69550894 BSMXBPUTGXWAGA-MRVPVSSYSA-N 231.292 2.107 0 40 BEAB CC[C@@]12OCCN1C[C@H](c1ccccc1)O2 71788893 JOPJKJFVMPDVNI-OLZOCXBDSA-N 219.284 2.154 0 40 BEAB CC[C@@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208742 BVFMHTQWUQVZBV-GHMZBOCLSA-N 243.347 2.404 0 40 BEAB Cc1cc(-c2cc(O)nnc2-c2ccco2)on1 72397738 HSKUBSIFKOMWTJ-UHFFFAOYSA-N 243.222 2.406 0 40 BEAB COc1cc(CC(=O)Nn2cccc2)ccc1C 75107537 AHFYHPPIGFXAHD-UHFFFAOYSA-N 244.294 2.118 0 40 BEAB CC(C)OCCC(=O)N[C@@H]1CCCC[C@@H]1C 78416569 QBYKYFLKDCEVOF-NWDGAFQWSA-N 227.348 2.496 0 40 BEAB CC[C@@H](NC)c1cccc(OC)c1OC 84388797 QZSCKQPPFMOERW-SNVBAGLBSA-N 209.289 2.374 0 40 BEAB C[C@H](Cc1ccoc1)NC(=O)C1CCC1 84835972 OWLBXGGJVQVTAH-SECBINFHSA-N 207.273 2.127 0 40 BEAB CCCS(=O)(=O)N1CCC2(CCCCC2)C1 95402907 USIWRJNMUCREMA-UHFFFAOYSA-N 245.388 2.382 0 40 BEAB O=C(O)/C=C\C(=O)c1ccc(Cl)c(F)c1 95727015 ZOANWALVJKGSLN-ARJAWSKDSA-N 228.606 2.303 0 40 BEAB Fc1ccc(F)c(OCCC2OCCO2)c1 95733884 JCAXGDHHIOSSKL-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB CCc1cc(NC(=O)c2ccco2)nc(C)n1 96425637 IGCRPANCFSEZNI-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB C[C@H](O)c1cc(Br)ccc1N 107995771 RTIGSRQGUBHYLG-YFKPBYRVSA-N 216.078 2.085 0 40 BEAB CC1=NN(C(=S)c2ccccc2)[C@@](C)(O)[C@@H]1C 150199288 INXJHTGIABOSIG-RNCFNFMXSA-N 248.351 2.398 0 40 BEAB c1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1 225716187 IWLZDWNEKXPOPY-OLZOCXBDSA-N 202.301 2.017 0 40 BEAB CCOP(=O)(CCCC(N)=S)OCC 228942861 AKAIOYARIOTWHN-UHFFFAOYSA-N 239.277 2.319 0 40 BEAB COc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 575358415 MIXHDOMUXBRDOD-UHFFFAOYSA-N 236.267 2.220 0 40 BEAB C[C@H]1Cc2c(ccc(Br)c2N)O1 642882568 NGOJDORORFSNDJ-YFKPBYRVSA-N 228.089 2.355 0 40 BEAB CN1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 725327800 OUPOBONEBFRSPF-HUUCEWRRSA-N 230.355 2.213 0 40 BEAB CC(C)(C)c1ccc(C[C](N)C(=O)O)cc1 1560408644 GJTOXGLQQZULOM-UHFFFAOYSA-N 220.292 2.102 0 40 BEAB Cc1ccnc(NC(=O)c2ncnc(C)c2C)c1 1888843797 UCGDNRNJXFKDPQ-UHFFFAOYSA-N 242.282 2.049 0 40 BEAB COC(=O)N1CCN(c2cccc(C)c2C)CC1 46859 WIPQOZQLBAGHFR-UHFFFAOYSA-N 248.326 2.192 0 40 BEAB Nc1ncncc1-c1ccccc1Cl 392349 ADTRWRAHTJEMCT-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB N[C@H]1Nc2ccc(Br)cc2S1 406416 VSXKTDHBBAKHAR-ZETCQYMHSA-N 231.118 2.209 0 40 BEAB COc1ccc2c(c1)sc1ncnc(N)c12 1556796 YAWSODLTFKFTIW-UHFFFAOYSA-N 231.280 2.435 0 40 BEAB Nc1ccc2c(c1)S(=O)(=O)c1ccccc1-2 1599265 RHWPUKCISLOMRK-UHFFFAOYSA-N 231.276 2.082 0 40 BEAB Nc1nc(Nc2ccccc2)sc1O 1637034 KKVRKETVMLKTEF-UHFFFAOYSA-N 207.258 2.175 0 40 BEAB CCCOc1ccc([C@H]2CNC(=O)C2)cc1 2285678 GTWLTAZTPPGDPL-LLVKDONJSA-N 219.284 2.079 0 40 BEAB CO[C@@H](CN)c1cccc(C(F)(F)F)c1 3634180 FTABFGUDULLKPD-VIFPVBQESA-N 219.206 2.352 0 40 BEAB Cc1ccc(-c2nnc3nc(O)cc(C)n23)cc1 4626152 KAWBEIYLOUOVGR-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB Cc1ccccc1OC[C@H](O)CN1CCCCC1 5023391 BVEROKWZMYREBD-CQSZACIVSA-N 249.354 2.221 0 40 BEAB O=C1O[C@H]([C@@H]2CCCCC2=O)C(Cl)=C1Cl 5223948 BVTPNHNQOIOZQK-MLUIRONXSA-N 249.093 2.360 0 40 BEAB CCOCCCNC(=S)Nc1ccccc1 5332733 SIHCTUVPVOJJHO-UHFFFAOYSA-N 238.356 2.400 0 40 BEAB NCc1ccc(-c2ccc(CN)cc2)cc1 5763419 RHUSPSRLFVISPM-UHFFFAOYSA-N 212.296 2.271 0 40 BEAB Cc1cccc(NC(=S)NC(C)C)n1 7143387 GHKQJMMHIDYHQG-UHFFFAOYSA-N 209.318 2.085 0 40 BEAB Cc1c(-c2ccccc2)[nH]c(=S)[nH]c1=O 16853151 DOBCLHOWEVRVDL-UHFFFAOYSA-N 218.281 2.408 0 40 BEAB in-vitro Cc1ccc(S(=O)(=O)[C@H]2C3C[C@@H]4C2[C@@H]4C3)cc1 16924072 WZMYWJSCBABHMM-UVLFAJMESA-N 248.347 2.423 0 40 BEAB C[C@@H](NCc1cnn(C)c1)c1ccccc1 20074906 IEHVEXJDCHERQV-LLVKDONJSA-N 215.300 2.271 0 40 BEAB Fc1ccc(CNCCN2CCCC2)cc1 20126719 ARXCKHJSJGMVHC-UHFFFAOYSA-N 222.307 2.011 0 40 BEAB COCCCN[C@@H](C)c1ccc(OC)cc1 20142419 UBQYJRPRGPVPOF-NSHDSACASA-N 223.316 2.382 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(N)c(C)c1 20195089 UZIZWARRXCEWFQ-SECBINFHSA-N 206.289 2.106 0 40 BEAB in-vitro COc1ccc([C@@H]2C[C@@H]2[C@@H](C)O)cc1OC 20392379 ASXMOCXJDQURGK-IEBDPFPHSA-N 222.284 2.188 0 40 BEAB Clc1ccc(Cc2nnn[nH]2)cc1Cl 20521731 MVQKYNNNQDIQBR-UHFFFAOYSA-N 229.070 2.097 0 40 BEAB in-vitro O=C(O)C(=O)Cc1ccc(Cl)c(Cl)c1 22166698 VXGFACIYULBZRD-UHFFFAOYSA-N 233.050 2.190 0 40 BEAB in-vitro Cc1ccccc1-c1cc(C(=O)O)n(C)n1 26420204 VINZRIOXUAXYCB-UHFFFAOYSA-N 216.240 2.094 0 40 BEAB Nc1cc(-c2ccc(C(=O)O)s2)ccn1 26459316 VHPZTXSIIWUTKK-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB CCCC(=O)Nc1nc(C)c2c(n1)CCCC2 32765266 KISFZEHRCSFXMF-UHFFFAOYSA-N 233.315 2.402 0 40 BEAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CC=CCC1 32845122 IWEHXKKMCRZEBO-KGLIPLIRSA-N 245.322 2.193 0 40 BEAB O=C([C@H]1Cc2ccccc2S1)N1CCCC1 32876653 WUZUZBOLYMKPLF-GFCCVEGCSA-N 233.336 2.326 0 40 BEAB COc1cccc2c1SC[C@@H](C(=O)O)C2 34275089 UCLKKLUJRBIKDA-QMMMGPOBSA-N 224.281 2.044 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H](CCCO)C1 34434473 DIQOZPGKFVICKN-NSHDSACASA-N 243.347 2.406 0 40 BEAB Cc1cccnc1-c1ccc(C(=O)O)o1 34924647 VRJWFMDPDCGAHV-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB O=c1cc[nH]c2c(OC(F)(F)F)cccc12 35731117 AMUUZJLMLDZNCV-UHFFFAOYSA-N 229.157 2.427 0 40 BEAB in-vitro CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 38975267 IPIFRTPPBPQDNK-UHFFFAOYSA-N 219.196 2.089 0 40 BEAB CN(C)c1ccc(C(=O)O)cc1Br 39951870 YPVWDZMDHLAJGZ-UHFFFAOYSA-N 244.088 2.213 0 40 BEAB Nc1ccccc1-c1n[nH]c(-c2cccnc2)n1 40175752 DPZTZDYPMHFYOB-UHFFFAOYSA-N 237.266 2.116 0 40 BEAB Cc1ccccc1-c1ocnc1C(=O)O 41211472 QBZXTGZRBDICHY-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB CN(C)[C@@H](CCN)c1cccc(Cl)c1 41226729 WKEJSKGEBMEZJS-NSHDSACASA-N 212.724 2.292 0 40 BEAB COc1ccc(NC(=O)N2CCC[C@@H](C)C2)cn1 48019134 UFSDEIVXOMZYCM-SNVBAGLBSA-N 249.314 2.354 0 40 BEAB COC[C@@](C)(O)Cc1ccc(Cl)cc1 53173336 LGHMBXWUNLZKNS-NSHDSACASA-N 214.692 2.280 0 40 BEAB in-vitro C[C@H]1CC(C)(C)CC2(C1)OC(=O)CC(=O)O2 59488094 HOAMIFUYEAGIJS-QMMMGPOBSA-N 226.272 2.019 0 40 BEAB CCCCNCc1cnc(SCC)nc1 62717285 QANPVUUMTMJHPR-UHFFFAOYSA-N 225.361 2.478 0 40 BEAB CCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 65529155 XKNZWVPDSSQZHN-ZDUSSCGKSA-N 247.342 2.292 0 40 BEAB CN(C(=O)c1cc[nH]c1)c1ccc(F)cc1 68290092 AGHUMGSBHSEFDK-UHFFFAOYSA-N 218.231 2.430 0 40 BEAB CN(C[C@H]1CCCN1)C(=O)OCc1ccccc1 79437740 BOXRBTATHOAKGB-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB COC(=O)c1ccc2cc(C=O)oc2c1 82380780 MVYHJMVFXMCOJP-UHFFFAOYSA-N 204.181 2.032 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1cc(C2CCC2)nn1C 89921933 OIAWQAVYYZVPQJ-PSASIEDQSA-N 233.315 2.282 0 40 BEAB CC[C@H](C)COC(=O)CN(C)[C@@H]1CCSC1 95452640 YFJHOBSOVNLHLM-WDEREUQCSA-N 245.388 2.013 0 40 BEAB CSCCOc1ccccc1-c1nc[nH]n1 97378065 PBDOFTAVOKXTIF-UHFFFAOYSA-N 235.312 2.214 0 40 BEAB C/N=c1/scc(-c2ccccc2)n1C 101922586 LWDHTVXEUMSTHI-VAWYXSNFSA-N 204.298 2.284 0 40 BEAB C/N=c1/scc(-c2ccccc2F)n1C 105777420 VEEIOHFPMKGRDX-ACCUITESSA-N 222.288 2.423 0 40 BEAB CCCCc1ccc(N(C)C(=O)CCN)cc1 107290041 SSHPFIACQNYQND-UHFFFAOYSA-N 234.343 2.341 0 40 BEAB COc1cccc(-n2cnc(C)c2C)c1 225793350 POPRPYKGMLIRAC-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB CN1[C@H]2CC[C@@H](C[C@@H]3CCCCN3)[C@H]1CC2 242543510 KCZUADBBDADOPR-XDQVBPFNSA-N 222.376 2.391 0 40 BEAB CC(C)Oc1ncc(Cl)cc1CO 642814658 PQSYZRXQHRHPLD-UHFFFAOYSA-N 201.653 2.015 0 40 BEAB CCOC(=O)c1cc2cc(OC)ccc2n1C 356684 WOVFRLDOPMHGEK-UHFFFAOYSA-N 233.267 2.364 0 40 BEAB CC(=O)[C@@H]1C(=O)[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O 506593 IOWYFQZIOCASML-WDMOLILDSA-N 234.295 2.096 0 40 BEAB CCOC(=O)[C@H](C)CC(=O)c1ccccc1 1684889 BOHBYJCFZWBXOZ-SNVBAGLBSA-N 220.268 2.459 0 40 BEAB CC[C@@H](C)OC(=O)[C@H](O)c1ccccc1 1693711 HFSGWDZFNVDYJK-MWLCHTKSSA-N 208.257 2.062 0 40 BEAB OCc1c(F)cc(Br)c(F)c1F 2243329 CJGOKVYRNUALRJ-UHFFFAOYSA-N 241.006 2.359 0 40 BEAB biogenic CC(C)c1ccc(CCNCCC(=O)O)cc1 3375324 PRMSMRZQCJKZBU-UHFFFAOYSA-N 235.327 2.417 0 40 BEAB CCOc1ccc(CC(=O)O)cc1Cl 3750729 NJJMHUPOCHBTJK-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB in-vitro O=C(O)/C=C/C1=Cc2ccccc2OC1 4218626 WYQKZHBKUXLNAR-AATRIKPKSA-N 202.209 2.103 0 40 BEAB CCCN(CCC(=O)O)C(=O)OC(C)(C)C 5066704 ZBYMPZLHNAZXLC-UHFFFAOYSA-N 231.292 2.108 0 40 BEAB C[C@H](C(=O)Nc1ccccc1)N1CCCCC1 6559649 CMQADFZEKVVEKX-GFCCVEGCSA-N 232.327 2.500 0 40 BEAB CCCCCC[C@@H](C(C)=O)C(=O)OC 6655807 HBVHDPSYAJZFEF-JTQLQIEISA-N 200.278 2.335 0 40 BEAB in-vitro Cn1c(CCC(=O)O)nc2cc(Cl)ccc21 12428068 DCKIVTPNGMSVGF-UHFFFAOYSA-N 238.674 2.244 0 40 BEAB in-vitro CCOc1ccc(OC[C@H]2CCCNC2)cc1 14631252 GXAYXYOWCPRUAQ-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB Nc1cccc(-c2nc(-c3cccnc3)no2)c1 19771943 NLDUIBYQNUWQSZ-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB c1csc(-c2noc([C@H]3CCCNC3)n2)c1 20000116 MKQUKQFTPMPZJE-QMMMGPOBSA-N 235.312 2.265 0 40 BEAB CC(=O)c1ccc(NC(=O)NC(C)C)cc1 20209503 TYNBENCIDTUZFW-UHFFFAOYSA-N 220.272 2.419 0 40 BEAB in-vitro CCNC(=O)c1oc2ccccc2c1C 32667918 XJOXPIPWKTUDTC-UHFFFAOYSA-N 203.241 2.491 0 40 BEAB COc1ccc(C(=O)N(C)C2CCCC2)c(O)c1 32845236 JHHXBWFCMUWFHN-UHFFFAOYSA-N 249.310 2.415 0 40 BEAB Oc1cccc(-c2noc([C@H]3CCCO3)n2)c1 34956241 YMKQTBBXJASVGX-SNVBAGLBSA-N 232.239 2.294 0 40 BEAB in-vitro CCCC[C@H](CC)C(=O)OC[C@H](C)O 38615294 RCYYLBZELJCFBT-UWVGGRQHSA-N 202.294 2.127 0 40 BEAB Cn1c(C(=O)NC2CC2)cc2ccc(F)cc21 40789092 NKOGTTQLJRCTEA-UHFFFAOYSA-N 232.258 2.210 0 40 BEAB Cc1ccccc1CCNC(=O)C1CC1 45600775 BMDKESMVGYJJCF-UHFFFAOYSA-N 203.285 2.064 0 40 BEAB C[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 46125183 LSPJAKHEBSBMQL-VXGBXAGGSA-N 225.332 2.347 0 40 BEAB CC(C)Oc1cccc(CN2CCC(O)CC2)c1 51590129 MHSXBGARZDZHAY-UHFFFAOYSA-N 249.354 2.431 0 40 BEAB COC[C@H](C)Nc1ccc(NC(C)=O)cc1 53171933 JISGFIKAYVBDIV-VIFPVBQESA-N 222.288 2.092 0 40 BEAB COc1ccc([C@](C)(O)C2CC2)cc1F 55261547 HIKOGITUKLWDRY-GFCCVEGCSA-N 210.248 2.452 0 40 BEAB CCC(=O)NCc1ccc(CN2CCCC2)cc1 61226443 JASFSFGWJXDJFF-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB CC[C@H](N)c1nccn1Cc1ccccc1 71790785 RBKIHBPQBBAGMX-LBPRGKRZSA-N 215.300 2.341 0 40 BEAB in-vitro CCCCS[C@H](C)C(=O)N[C@@H](C)CCCO 79095196 YWEXSDCGVKLIMP-WDEREUQCSA-N 247.404 2.185 0 40 BEAB Brc1ccc([C@@H]2CCN2)cc1 83967871 KJWNZTPBMDNIPA-VIFPVBQESA-N 212.090 2.484 0 40 BEAB in-vitro C[C@@H](CO)CSCC[C@@H]1CCCCN1C 85138446 OKGDEYDRIZZEBX-RYUDHWBXSA-N 231.405 2.222 0 40 BEAB O=Cc1ccc(COCC(F)(F)F)o1 85391965 DNULHWHPWNJXBI-UHFFFAOYSA-N 208.135 2.171 0 40 BEAB Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N 89261925 BLJFOPYTOMQYEB-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB CC[C@H](N)COc1ccc(C(F)(F)F)cn1 95094792 APYDUEDMZBEOBF-QMMMGPOBSA-N 234.221 2.217 0 40 BEAB COc1ncncc1NC(=O)Nc1ccccc1 95416176 HKIMDGMHHGTBJW-UHFFFAOYSA-N 244.254 2.129 0 40 BEAB Fc1cc(OCCC2OCCO2)cc(F)c1F 95733898 UWOBKZZISCHKFU-UHFFFAOYSA-N 248.200 2.246 0 40 BEAB N[C@H](CCc1ccccc1C(F)(F)F)C(=O)O 95749154 BCXGVVUDFMBXEM-SECBINFHSA-N 247.216 2.050 0 40 BEAB Cc1nnc(CSCC2CCOCC2)o1 96467863 HNGCFEGFYYVCPN-UHFFFAOYSA-N 228.317 2.038 0 40 BEAB O=C1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@H]1C2 100003167 PDLKQXJZJXLNBA-MEWQQHAOSA-N 208.301 2.297 0 40 BEAB biogenic CCC1=NN(c2ccc(F)cc2)C(=O)C1 100407000 LTGDWGXZKAEZIR-UHFFFAOYSA-N 206.220 2.328 0 40 BEAB Br/C=C\I 105296592 UTDMSJMYYBXEPR-UPHRSURJSA-N 232.846 2.288 0 40 BEAB CO[C@@H]1CCN(c2nc3ccccc3nc2C)C1 170540827 CINUGSCSOUWREN-LLVKDONJSA-N 243.310 2.163 0 40 BEAB NC[C@@H]1C[C@@]12CCCN(Cc1ccccc1)C2 216594403 LEMUKCPOVGHJHT-LSDHHAIUSA-N 230.355 2.247 0 40 BEAB CCc1ccc(C=O)n1C[C@@H]1CCCO1 225302052 AXGTVHHPFYFKGM-LBPRGKRZSA-N 207.273 2.042 0 40 BEAB Nc1ccnc(C(F)(F)F)c1Br 306945679 AONLLLWXAWNGRE-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB O=C(Nc1nccs1)C1CC(F)(F)C1 336233097 SHFWRTKOJDKDKJ-UHFFFAOYSA-N 218.228 2.127 0 40 BEAB CC(C)Oc1ccc(F)c2c1CCNC2 536953942 IKRUFHQPBCDNBI-UHFFFAOYSA-N 209.264 2.259 0 40 BEAB CSc1ncc(Br)c2cncn12 1083812466 FINBWKDKYDQUBH-UHFFFAOYSA-N 244.117 2.214 0 40 BEAB Cc1ccc2ncccc2c1NC(N)=S 1394252 OHWXJLDCVVZZIW-UHFFFAOYSA-N 217.297 2.199 0 40 BEAB CCC[C@@]1(C)NCCO[C@@]1(O)c1ccccc1 1622227 OUPZQTOWDCRSCT-KGLIPLIRSA-N 235.327 2.010 0 40 BEAB O=C(Nc1ncccn1)Oc1ccccc1 1656231 WJHUPBKJLWZEAM-UHFFFAOYSA-N 215.212 2.088 0 40 BEAB CCCNC(=O)Nc1ccccc1C(=O)OC 3135987 UDEHHHGGBNKAJK-UHFFFAOYSA-N 236.271 2.005 0 40 BEAB Cc1noc(C)c1C(=O)NCCc1ccccc1 4106767 NJWYDVJFMDXSBP-UHFFFAOYSA-N 244.294 2.264 0 40 BEAB OCCN(C1CCCCC1)[C@@H]1C=CCC1 4410882 BPDQIAHMBNSGOD-CYBMUJFWSA-N 209.333 2.332 0 40 BEAB COC(=O)[C@@H](C)CNC1CCCCCCC1 6086952 DHZIMSCBFKTLAA-NSHDSACASA-N 227.348 2.498 0 40 BEAB COCc1n[nH]c(N)c1-c1ccc(Cl)cc1 8701288 RUOLMSGFFDAALU-UHFFFAOYSA-N 237.690 2.459 0 40 BEAB in-vitro CC(=O)c1cccc(-n2cccc2C=O)c1 8701924 DGWLINDLXCXUCI-UHFFFAOYSA-N 213.236 2.492 0 40 BEAB Cc1c(N)cc(-c2nc3ncccc3o2)cc1N 8703368 LJUCAVQASPMBMO-UHFFFAOYSA-N 240.266 2.363 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)C(C)C)n1C 25316885 GOMDTIXKXZNBJM-JTQLQIEISA-N 208.305 2.108 0 40 BEAB CC(C)(C)c1cc(NC(=O)c2cnccn2)no1 28225467 QOLWYUXDSSWBMU-UHFFFAOYSA-N 246.270 2.014 0 40 BEAB Cc1cc(Cl)n2nc(-c3ccco3)nc2n1 32643092 GVQSFUZWSOGEEU-UHFFFAOYSA-N 234.646 2.346 0 40 BEAB CC(C)(C)NCC(=O)Nc1cc(F)cc(F)c1 32855972 LAIMSMPIXDBGSJ-UHFFFAOYSA-N 242.269 2.291 0 40 BEAB O=C(NCC1CC1)c1cccc(Cl)c1 32909791 MNPPWWBSJOTWDN-UHFFFAOYSA-N 209.676 2.480 0 40 BEAB C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1 34304647 LTNNUMKAWAGPIS-RKDXNWHRSA-N 243.303 2.107 0 40 BEAB in-vitro Cc1cc(C)c2c(N)c(C(N)=S)sc2n1 36138884 XQQLJOBYYVUTHU-UHFFFAOYSA-N 237.353 2.130 0 40 BEAB CCc1ccc(C2=NO[C@@](C)(C(=O)O)C2)cc1 38276665 PLPUQGBFYDWOHI-CYBMUJFWSA-N 233.267 2.217 0 40 BEAB OC[C@@H]1CCCN1c1ccnc2ccccc12 42434582 FXZBIAVQMTZVKH-NSHDSACASA-N 228.295 2.196 0 40 BEAB COc1ccc(-c2cccnc2)cc1N 47216630 HBXIIOCOQXRVLM-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB C1=CC[C@H](CNCCCn2ccnc2)CC1 49947049 PNJMXWRDRVOQKU-ZDUSSCGKSA-N 219.332 2.219 0 40 BEAB COc1ccc([C@@H]2CCCN2C(C)=O)c(OC)c1 52955873 ZLTQVLFROICHMF-ZDUSSCGKSA-N 249.310 2.387 0 40 BEAB Cc1nn(C)c2c(NC(C)C)nc(C3CC3)nc12 57355994 CBAZEFOONGPQPD-UHFFFAOYSA-N 245.330 2.369 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 58316188 BWXWKPUOCPJFPR-LLVKDONJSA-N 247.338 2.330 0 40 BEAB COC(=O)c1nnc2ccccc2c1Cl 59299347 PMXSNEURQGNVGW-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB in-vitro CC[C@@H](C)NCc1cccc(OCC(=O)O)c1 62717069 WWNAQUXBGJKVLR-SNVBAGLBSA-N 237.299 2.038 0 40 BEAB CC(C)OCC(=O)N1CCC[C@H]1c1ccccn1 68117906 WIOJUMAILOTBCU-ZDUSSCGKSA-N 248.326 2.170 0 40 BEAB CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OC 68708501 JJTVJYIRQKTDEE-UTUOFQBUSA-N 227.348 2.496 0 40 BEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)C1CC1 75107292 UQNKCDKXVOEEEW-NSHDSACASA-N 244.338 2.264 0 40 BEAB C[C@H](NCC(C)(C)C)[C@@H](C)n1cccn1 75606798 XNTPMMQBVJNHSQ-WDEREUQCSA-N 209.337 2.468 0 40 BEAB Cc1nc(Cl)cc(NC[C@@]2(C)CCOC2)n1 79089907 SZPCDOTVSUEDCR-LLVKDONJSA-N 241.722 2.277 0 40 BEAB CCN(c1ccccc1F)[C@H](C)C(=O)O 82259677 NLHYGGKNGMXDQH-MRVPVSSYSA-N 211.236 2.125 0 40 BEAB O=C(CC1CC1)NCc1ccc(F)cc1 82268431 MBKCLZWSLBKXJB-UHFFFAOYSA-N 207.248 2.242 0 40 BEAB CC[C@@H](C)[C@H](CO)Nc1ncccc1F 84487539 CXGLKRWJIIHZHE-SCZZXKLOSA-N 212.268 2.040 0 40 BEAB N=C(N)Cc1ncc(C(F)(F)F)cc1Cl 91695930 WHVIQPZTAMGFRV-UHFFFAOYSA-N 237.612 2.232 0 40 BEAB in-vitro Nc1nc2c(cc1C(=O)c1ccccc1)CCC2 95098414 VOTXBFSKARYFOP-UHFFFAOYSA-N 238.290 2.384 0 40 BEAB C[C@@H](O)C1(c2cccc(N(C)C)c2)CC1 95739152 NVBAQDJNZQJTBP-SNVBAGLBSA-N 205.301 2.165 0 40 BEAB C[C@@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@@H]2N1 96510249 VDOFOLSTKIOEDA-XRNSZHNASA-N 217.316 2.203 0 40 BEAB c1nc(N2CCC[C@H]3CCC[C@H]32)c2cn[nH]c2n1 108088575 NWOUTFYLCNZFMF-MWLCHTKSSA-N 243.314 2.122 0 40 BEAB C[C@@H]1C[C@@H](CO)CCN1C(=O)OC(C)(C)C 141980185 LXOVPEAYTWFSBI-ZJUUUORDSA-N 229.320 2.014 0 40 BEAB CO[C@H](Cc1c(C)cc(C)cc1C)C(=O)O 221632769 XMPILNUWMWXWGK-GFCCVEGCSA-N 222.284 2.254 0 40 BEAB c1ccc([C@@H]2COC3(CCNCC3)C2)cc1 238098711 GNVPYMIJYSFKIB-ZDUSSCGKSA-N 217.312 2.313 0 40 BEAB Cc1cnn(C)c1NCc1ccccc1C(=O)O 256054224 VMVYDENLBNMTEV-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB c1ccc(Nc2cncc([C@H]3CCCN3)n2)nc1 257281152 ONWDVYKWRPVFAU-SNVBAGLBSA-N 241.298 2.040 0 40 BEAB CCc1ncnc(Oc2cccnc2)c1F 301947932 YJMVXVQLQVRTMN-UHFFFAOYSA-N 219.219 2.365 0 40 BEAB CNC[C@H]1CC[C@@H](OC(F)(F)F)CC1 953032269 ZFLMBOAIGUWHFT-OCAPTIKFSA-N 211.227 2.301 0 40 BEAB Clc1ncc(Br)c2nccn12 1848351286 ZIEPMURXMHFKFQ-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB N=c1cc(-c2cc3ccccc3cn2)[nH][nH]1 1857794189 MEKMLXBFDUOLSB-UHFFFAOYSA-N 210.240 2.037 0 40 BEAB CCc1cc(C(=O)O)c2ccccc2n1 1720855 NURFUWUIIYWPKW-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB C/C=C/C(=O)OCC(=O)Nc1cccc(C)c1 3389952 DDOPWULHIXTFDI-HWKANZROSA-N 233.267 2.053 0 40 BEAB C[C@@H]1[C@H]2C[C@H]([C@H](CN(C)C)C2=O)C1(C)C 4361031 IORDCIHONMRMKU-CHWFTXMASA-N 209.333 2.045 0 40 BEAB CCCCc1nnc(NC(=O)CC)s1 4725694 YDTBZURELBELNV-UHFFFAOYSA-N 213.306 2.229 0 40 BEAB OC[C@]12CC=CC[C@H]1[C@@H]1CC=CC[C@@H]1O2 4896165 ABOOKWDZMHACDA-ZDEQEGDKSA-N 206.285 2.049 0 40 BEAB O=C(c1ccccn1)c1ccccc1F 6095240 NXJUUEIQHLXBPZ-UHFFFAOYSA-N 201.200 2.452 0 40 BEAB COC(=O)c1cccc(-c2ccc(C(=O)O)o2)c1 6792953 VQHMVSOPNCHNBW-UHFFFAOYSA-N 246.218 2.431 0 40 BEAB O=C(Cc1cccc(F)c1)Nc1ccccn1 12526958 ZLBHLENFJBHWFL-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB Cc1ccc(NCC(=O)NC2CC2)cc1Cl 12949965 DMXCSBIBZXFKDH-UHFFFAOYSA-N 238.718 2.339 0 40 BEAB CCn1nccc1C(=O)Nc1ccc(F)cc1 13699182 RJLYCMWXQMSUOH-UHFFFAOYSA-N 233.246 2.294 0 40 BEAB O=C(Cc1ccccc1F)N1CCCCC1 16603691 QSIKSKBYXFDUIR-UHFFFAOYSA-N 221.275 2.381 0 40 BEAB O=C(O)/C=C(\CCC1CCCCC1)C(=O)O 17285421 QTBWCJKDRVFXFZ-CSKARUKUSA-N 226.272 2.443 0 40 BEAB CCN(C1CCCCC1)C1CCNCC1 19506015 IYWZOOZGPFPPFU-UHFFFAOYSA-N 210.365 2.393 0 40 BEAB COc1ccc(N)cc1C(=O)N1CCCC[C@@H]1C 20156012 AKOKOHSRDJXDGL-JTQLQIEISA-N 248.326 2.292 0 40 BEAB COC(=O)[C@H](CN)Cc1cccc2ccccc12 20579469 VTFPNHSFUHPJJT-ZDUSSCGKSA-N 243.306 2.130 0 40 BEAB in-vitro Cc1csc(CNC(=O)c2ccoc2C)n1 22282301 WXFLGGGYTVEHFX-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Cc1ccc2c(NC(=O)c3ccco3)noc2n1 23128141 YHLFSMITYJTDAT-UHFFFAOYSA-N 243.222 2.377 0 40 BEAB COc1ccc(-c2csc3nc(N)nn23)cc1 31891256 LRTDOMNTSPYIQR-UHFFFAOYSA-N 246.295 2.049 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2C1 32975420 UPIKJVYTQDOKCW-MFKMUULPSA-N 215.296 2.227 0 40 BEAB Cc1ccc(C)c(-c2cc(N)n(C)n2)c1 34976177 OKQFIMMLUXGOSK-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB Cc1n[nH]c(NCc2ccccc2C)n1 35684098 HRECEDPQNKFIFX-UHFFFAOYSA-N 202.261 2.034 0 40 BEAB CCN(C(C)=O)c1cccc(C(C)=O)c1 36373005 UDHSUNANTLODHO-UHFFFAOYSA-N 205.257 2.262 0 40 BEAB in-vitro O=C(O)c1cccc(NCC(F)(F)F)c1 40354863 HIHJPZDKCNGWGQ-UHFFFAOYSA-N 219.162 2.359 0 40 BEAB CC(=O)Nc1ccc(OC[C@@H]2CCCNC2)cc1 42782847 ZUJJMKSCLGMWHT-GFCCVEGCSA-N 248.326 2.023 0 40 BEAB NCc1coc(-c2ccccc2Cl)n1 57495607 SHQLPAIDPJDJDD-UHFFFAOYSA-N 208.648 2.454 0 40 BEAB CO[C@H](C)CC(=O)Nc1cc(C(C)(C)C)n[nH]1 58330927 HNBGIPHKLUNZIG-MRVPVSSYSA-N 239.319 2.071 0 40 BEAB COc1ccc(OC)c(NC(=O)c2ccc[nH]2)c1 71846815 JTMSZHGWRJGQBN-UHFFFAOYSA-N 246.266 2.284 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc(=S)[nH]c1 72216994 STXABURSUDLSFQ-SNVBAGLBSA-N 222.313 2.428 0 40 BEAB Cc1cc([C@H](C)O)cnc1N1CCCCC1 72222458 ABOMIMOFIDMXDL-NSHDSACASA-N 220.316 2.434 0 40 BEAB COc1ccc([C@H](N)c2ccccc2)c(C)n1 72224029 CCOYMWWETDIYPC-CQSZACIVSA-N 228.295 2.447 0 40 BEAB CC(C)(C)c1cn2c(n1)[C@@H](CN)CCC2 72226606 XDRYWVURGYHVCE-SECBINFHSA-N 207.321 2.017 0 40 BEAB Cc1nc(-c2ccc(F)cc2)cc(C2CNC2)n1 72384543 SWNJQWKIPLZVMC-UHFFFAOYSA-N 243.285 2.278 0 40 BEAB C[C@]1(c2ccccc2Cl)COC(=O)N1 72417688 QASNVYBRJSULCW-SNVBAGLBSA-N 211.648 2.295 0 40 BEAB Cc1ccc(C(=O)NC2CCCCCC2)c(=O)[nH]1 75118131 FRUZVRKXKRDNKH-UHFFFAOYSA-N 248.326 2.136 0 40 BEAB COc1sc(C(=O)O)c(OC)c1Cl 82290690 TWHVONSPCWAOHQ-UHFFFAOYSA-N 222.649 2.117 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCNCC12CCC2 82327552 AHIGUTRJWDFHRW-SNVBAGLBSA-N 240.347 2.043 0 40 BEAB COc1ccccc1CC1(CN)CCC1 83570265 VVIBZVFGGJCAFH-UHFFFAOYSA-N 205.301 2.367 0 40 BEAB Fc1cccnc1N[C@@H]1CCN2CCC[C@@H]2C1 94594097 MYKWGZDNBPEZGV-GHMZBOCLSA-N 235.306 2.259 0 40 BEAB FC(F)Oc1ccnc(Br)c1 95704942 WTLCKEHRGDZTGC-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB CCCOc1c(F)cc(CCO)cc1F 95732028 HOAFDOKGMGFRQB-UHFFFAOYSA-N 216.227 2.288 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](F)C1 95933013 BBJACCZSJXCXSE-SFYZADRCSA-N 203.257 2.402 0 40 BEAB in-vitro Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)C(C)C 95956567 HQYRWSSQIAMWTK-RKDXNWHRSA-N 237.347 2.291 0 40 BEAB CO[C@H]1C[C@@H]2c3ccccc3[C@@H]1C(C)=[N+]2C 104137618 IUNKJZBVWKZYJV-RDBSUJKOSA-N 216.304 2.347 0 40 BEAB Cc1cc(O)c(-c2csc(C)n2)c(=O)o1 200235044 PYNDDARYDOXMBC-UHFFFAOYSA-N 223.253 2.086 0 40 BEAB CCNC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225357567 UAGNGVAWLACERI-UHFFFAOYSA-N 249.310 2.234 0 40 BEAB Cn1ncc2c1NCC[C@@H]2c1ccccc1 225814649 KICQIGMRMMBQJE-LLVKDONJSA-N 213.284 2.368 0 40 BEAB CN1CCN(c2ccc(-n3cccc3)cc2)CC1 226245510 BKMOAZGNMYOLNX-UHFFFAOYSA-N 241.338 2.229 0 40 BEAB CC(C)(C)OC(=O)[C@@]1(N)C[C@@H]1c1ccccc1 253179816 BWHFMXFCBHHMIA-BXUZGUMPSA-N 233.311 2.213 0 40 BEAB CCN(C(=O)[C@H]1CC1(F)F)c1cccnc1 336240726 AKMLBEWVMYGDEB-SECBINFHSA-N 226.226 2.090 0 40 BEAB CCn1cc(-c2ccc(C)cc2OC)nn1 871890202 SAYYGXJHWQIQFK-UHFFFAOYSA-N 217.272 2.282 0 40 BEAB COC(=O)OCC(C)(C)C(F)(F)F 1083809085 BHZAXNYKLKFHRS-UHFFFAOYSA-N 200.156 2.358 0 40 BEAB COC(=O)c1cnc2cc(F)ccc2c1 1857790395 HNSMDDGWSITLBO-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB C=C(c1ccccc1)[n+]1cccc(C(=O)O)c1 244045 WMSMDLGNNYNNOP-UHFFFAOYSA-O 226.255 2.191 0 40 BEAB Fc1cccc(CNC[C@H]2CCCO2)c1 378570 MDGSARSDWZUDQI-GFCCVEGCSA-N 209.264 2.094 0 40 BEAB in-vitro COc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1 1623018 WKGLTBFKXDKKGA-WDEREUQCSA-N 248.278 2.379 0 40 BEAB O=C1c2ccccc2-c2ccccc2N[C@H]1O 1723094 APPZBVZHLIDLCS-AWEZNQCLSA-N 225.247 2.280 0 40 BEAB O=C(CN1CCCCC1)c1ccc(F)cc1 4899047 VAAXKNBMIRDXMN-UHFFFAOYSA-N 221.275 2.494 0 40 BEAB CCNC(=O)COc1ccccc1C(C)(C)C 5456354 FBKBSXATGZCURV-UHFFFAOYSA-N 235.327 2.499 0 40 BEAB C[C@H]1[C@H](c2ccccc2)OCCN1C(=N)S 6481761 PXHKIOCZVKFUEC-GXSJLCMTSA-N 236.340 2.313 0 40 BEAB O=C(NCc1ccc(F)cc1)c1ccc(O)cc1 6787443 QMHPNGHNRMNQDG-UHFFFAOYSA-N 245.253 2.461 0 40 BEAB CC(C)CC(=O)NCC1(N(C)C)CCCCC1 8673966 AJQJOZHUIZAWBK-UHFFFAOYSA-N 240.391 2.413 0 40 BEAB O=C(Cn1ccnc1)Nc1ccc(Cl)cc1 10809330 UKWDOOLMTJKKAJ-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Cc1ccc(O)c(C(=O)Nc2nccs2)c1 12941493 NHEPOTNPGXFUSE-UHFFFAOYSA-N 234.280 2.409 0 40 BEAB Cc1nnc(NC(=O)C[C@@H]2C=CCC2)s1 14633465 BJTQSFUABGKDBB-MRVPVSSYSA-N 223.301 2.141 0 40 BEAB CC[n+]1c(C)cc(C)n1-c1ccccc1 15962300 GPPZTDBSAJQTTN-UHFFFAOYSA-N 201.293 2.402 0 40 BEAB COCCOc1cccc(F)c1C(C)=O 19871391 IPRCBBQWTRWQNI-UHFFFAOYSA-N 212.220 2.054 0 40 BEAB in-vitro COC(=O)[C@@H](N)c1ccc2ccccc2c1 20169373 OWSZMZAENZHDLB-LBPRGKRZSA-N 215.252 2.013 0 40 BEAB biogenic O=C(O)COc1ccccc1C(F)(F)F 20283250 NRFIBTALDRVYLS-UHFFFAOYSA-N 220.146 2.169 0 40 BEAB in-vitro CCc1nc2sc(C)c(C)c2c(=O)[nH]1 20346130 JIBQGAQQFJRRKH-UHFFFAOYSA-N 208.286 2.164 0 40 BEAB Clc1ccc2c(-n3ccnc3)ncnc2c1 23184943 SUTOEIDKAOYJTG-UHFFFAOYSA-N 230.658 2.469 0 40 BEAB Cc1ccc([C@H]2CSc3nnc(C)n3N2)cc1 27028423 CGSHDWRROKFWMV-LLVKDONJSA-N 246.339 2.285 0 40 BEAB Fc1cccc(-c2nnc(CN3CCCC3)o2)c1 30824900 KNEDPKQSGCJWGU-UHFFFAOYSA-N 247.273 2.472 0 40 BEAB CC(C)CC[C@H](C)n1cnc2nccnc2c1=O 32500739 SWSDUQOUBTVYNP-JTQLQIEISA-N 246.314 2.184 0 40 BEAB O=C(c1ccccc1)[C@H]1CCC[C@H]1C(=O)O 34265400 SPRHBCOBGFZPAI-WDEREUQCSA-N 218.252 2.370 0 40 BEAB in-vitro CN[C@@H](CN1CCCCC1)c1ccccc1 34317069 WDWBJLRLEYGMMU-AWEZNQCLSA-N 218.344 2.433 0 40 BEAB COCC(=O)c1cc(Br)ccc1F 36180163 WXXNAEKSYSOKAO-UHFFFAOYSA-N 247.063 2.417 0 40 BEAB c1nc(NC[C@H]2CCCO2)c2ccsc2n1 36803813 QZBLPCZDYPWHTO-MRVPVSSYSA-N 235.312 2.282 0 40 BEAB Cc1ccccc1[C@@H](CN)N1CCCCC1 38827601 VLNKNMJEGZNBOP-CQSZACIVSA-N 218.344 2.481 0 40 BEAB COc1cc(N)c(F)cc1Br 39619094 JGQVADKRUVUCGR-UHFFFAOYSA-N 220.041 2.179 0 40 BEAB c1ccc2c(c1)CCN2CC[C@H]1CCCNC1 42783382 QFLPGXCIQLJLLH-CYBMUJFWSA-N 230.355 2.439 0 40 BEAB COc1cccc(C(=O)c2ccccc2)n1 45028712 YXSONXKRSOCOKX-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB O=C(O)[C@H]1CCN(c2ccnc3ccccc23)C1 62132859 MSFJZDPDKNIDET-JTQLQIEISA-N 242.278 2.146 0 40 BEAB CC[C@H](Cc1cccc(OC)c1OC)C(=O)O 62711206 XXKRUVSFCPQMIG-SECBINFHSA-N 238.283 2.357 0 40 BEAB CCO[C@H](CNC)c1ccc(OC)cc1OC 62711557 JFZXLCWIVCZRQV-CYBMUJFWSA-N 239.315 2.001 0 40 BEAB CCO[C@@H](C)C(=O)NCCSC(C)(C)C 66736722 HNJPOQYCQHIWPT-VIFPVBQESA-N 233.377 2.059 0 40 BEAB CCC(CC)C(=O)N[C@H]1CCN(C(C)C)C1 69811685 WZORVCGEVKVABZ-LBPRGKRZSA-N 226.364 2.022 0 40 BEAB Cc1cc(Br)ncc1[C@H](C)O 72222953 JHDDOEDOHBCUDX-LURJTMIESA-N 216.078 2.206 0 40 BEAB CNC(=O)N[C@@H](C)c1c(F)cccc1Cl 81478429 OAEHBJJGHUDDNM-LURJTMIESA-N 230.670 2.469 0 40 BEAB COc1oc(=O)c2ccccc2c1Cl 85390151 RXRSDOQYNZVGSR-UHFFFAOYSA-N 210.616 2.455 0 40 BEAB CCOC(=O)c1[nH]ccc1-c1cccnc1 86206540 OIKAGMFHAIVGAS-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB O[C@H]1CCC[C@@H]1CNc1cnc2ccccc2n1 89167356 QBPBPYDTDATWNA-MFKMUULPSA-N 243.310 2.203 0 40 BEAB COc1ccc([C@@H](O)c2cccn2C)cc1OC 95727745 UKMVKKMMPIMLMC-CQSZACIVSA-N 247.294 2.124 0 40 BEAB CCOC(=O)C(=O)Sc1cc(F)ccc1C 95731169 JDKUIKDNGKKKRA-UHFFFAOYSA-N 242.271 2.316 0 40 BEAB N[C@H](c1cc(Cl)ccn1)C(F)(F)F 95761372 DHJAKRJDZPEGQU-ZCFIWIBFSA-N 210.586 2.297 0 40 BEAB O=C(O)[C@@H]1CCC[C@H]1NCc1ccc(F)cc1 95919632 XBDRUHSCAZBDLY-VXGBXAGGSA-N 237.274 2.169 0 40 BEAB CC[C@@H](O)CN[C@@H](C)c1c(F)cccc1OC 95985415 SFMDTOMLNWCFDU-VHSXEESVSA-N 241.306 2.256 0 40 BEAB Cn1cc(-c2cc(Cl)nc(CC3CC3)n2)cn1 96524153 IRIQJGRYYAAUOC-UHFFFAOYSA-N 248.717 2.483 0 40 BEAB O=C(c1ccoc1)N1Cc2ccccc2C1 105979013 AQOPXOUASLFEQB-UHFFFAOYSA-N 213.236 2.436 0 40 BEAB CC(=O)c1c(N)sc2c1C[C@H]1CC[C@H]2N1C 108310967 JVVYEWFPMWXSTB-VXNVDRBHSA-N 236.340 2.224 0 40 BEAB Cc1nc2cc(S(C)(=O)=O)ccc2s1 143702289 VXEAHJGQRXYCTH-UHFFFAOYSA-N 227.310 2.008 0 40 BEAB OCc1cncc(OCc2ccccc2)c1 201298019 SAOGVYSSIRYSAK-UHFFFAOYSA-N 215.252 2.153 0 40 BEAB Cc1nn(C(C)C)cc1CNc1cn(C)nc1C 256054354 VZAUNFIZMXBBDN-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB c1sc([C@H]2C[C@H]3CNC[C@H]3O2)nc1C1CC1 306130641 JMDIOZGNMKBAGE-JMJZKYOTSA-N 236.340 2.070 0 40 BEAB Cn1nnc2c(Br)cc(Cl)cc21 725343308 BSZJCUSMYUFRFW-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB Cc1csc(NC(=O)c2ncnc(C)c2C)n1 1888844046 SHUVNUCLCUPMAO-UHFFFAOYSA-N 248.311 2.111 0 40 BEAB Nc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1 32841 XPIRXVHKXUKITM-VOTSOKGWSA-N 245.307 2.115 0 40 BEAB Cc1cc(Cl)n(C[C@H](O)C(C)(C)C)n1 159836 KVKMLCOOTHLZHI-QMMMGPOBSA-N 216.712 2.252 0 40 BEAB CNc1nc(Cl)nc(-c2ccccc2)n1 2039060 PIFHNYKEBUKOMB-UHFFFAOYSA-N 220.663 2.234 0 40 BEAB N#CNNc1ncc(C(F)(F)F)cc1Cl 3133230 YBCRWYLLNHLCJE-UHFFFAOYSA-N 236.584 2.151 0 40 BEAB COc1cccc([C@@H]2CCCN2)c1OC 3732287 OEHUXEOLUCUQPE-JTQLQIEISA-N 207.273 2.128 0 40 BEAB COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[C@@H]1O 4720848 JZGHKVCLIIIGNI-RDBSUJKOSA-N 248.322 2.494 0 40 BEAB Cc1cc(NC(=O)Nc2ccccc2)n[nH]1 6412803 VPOCNDSERUWTIZ-UHFFFAOYSA-N 216.244 2.362 0 40 BEAB CO[C@H](C(=O)O)c1cccc(Cl)c1 6483173 MBAJSMKLHBYGHS-QMMMGPOBSA-N 200.621 2.112 0 40 BEAB COc1ccc(-c2nc3c(s2)CNCC3)cc1 9134203 GEQMHENQJVGRPN-UHFFFAOYSA-N 246.335 2.464 0 40 BEAB Cc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 12851155 OXTLOGJRHJQASL-LLVKDONJSA-N 234.299 2.248 0 40 BEAB CCC(=O)NCc1nc2ccccc2s1 13012707 GXZOBBXXERNIBQ-UHFFFAOYSA-N 220.297 2.323 0 40 BEAB in-vitro Cc1cncn1CC(=O)c1ccccc1 13281792 IXNPPUZMZUWSEV-UHFFFAOYSA-N 200.241 2.074 0 40 BEAB Cc1cc(F)ccc1O[C@H]1CCCNC1 14631861 ISAZERLJHRRHKE-NSHDSACASA-N 209.264 2.265 0 40 BEAB CCCOc1ccc(/C=C\[N+](=O)[O-])cc1N 17315305 YAQVIRWIUOLCPD-WAYWQWQTSA-N 222.244 2.305 0 40 BEAB c1ccc2oc(CN3CCOCC3)cc2c1 19913026 FTAVYUNYWZEZIV-UHFFFAOYSA-N 217.268 2.265 0 40 BEAB OCCCNc1ccc(-c2ccc(F)cc2)nn1 20723024 VHYYPWBLTMLNNS-UHFFFAOYSA-N 247.273 2.077 0 40 BEAB COc1ccccc1Oc1ncccc1CN 22175077 SQFKZCZDBUNVHC-UHFFFAOYSA-N 230.267 2.341 0 40 BEAB CCCc1nn(-c2ccccn2)c(N)c1CC 26512235 YKTJTRSGYIKRFZ-UHFFFAOYSA-N 230.315 2.364 0 40 BEAB CCn1cc(CNC(=O)CCC2CCCC2)cn1 27918739 BIGMMHDHDPEZDR-UHFFFAOYSA-N 249.358 2.490 0 40 BEAB O=C(NCCCn1cccn1)Nc1ccccc1 28579425 UFAGEWSTHDTCGM-UHFFFAOYSA-N 244.298 2.095 0 40 BEAB COC(=O)CCc1c[nH]c2cc([N+](=O)[O-])ccc12 32220387 HAYZKCNXBKZWLK-UHFFFAOYSA-N 248.238 2.182 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCO 34216116 FVBGFZNFXUIHNC-IJLUTSLNSA-N 200.322 2.456 0 40 BEAB COc1cncc(-c2ccc(C(=O)O)o2)c1 34924659 JSWGSUOULQJBJX-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB Cc1csc(S[C@@H]2C[C@H](C)OC2=O)n1 40462980 WESVSHWUCCCNND-NKWVEPMBSA-N 229.326 2.248 0 40 BEAB Cc1cc(C)cc(CN2CCC[C@@H](O)C2)c1 40465770 YQVZBSNLPDHPCT-CQSZACIVSA-N 219.328 2.260 0 40 BEAB Cc1ncsc1C(=O)N[C@H](C)c1ccccn1 40529653 KSYKYNNJQMEOSC-MRVPVSSYSA-N 247.323 2.338 0 40 BEAB CC(C)(C)CC(=O)NCCCCN1CCCC1 42383351 NYIKAXXEAMVXKR-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 52635500 CCXLWFJUQCBFAC-AVGNSLFASA-N 240.391 2.125 0 40 BEAB O=C1C[C@@H]2CC[C@H](C1)N2Cc1cccs1 54603210 PCADUFLDCLIHFR-AOOOYVTPSA-N 221.325 2.444 0 40 BEAB c1cc(CCN(C[C@H]2CCOC2)C2CC2)ccn1 58341849 PVTNCDTZBOULBA-CQSZACIVSA-N 246.354 2.125 0 40 BEAB CCc1ccc2ncc3c(O)n[nH]c3c2c1 64873730 QILNKDTYENOUGZ-UHFFFAOYSA-N 213.240 2.379 0 40 BEAB CCCN1CC[C@@H](CNc2ccccn2)C1 65487809 RVXZWQLWNHNJPN-LBPRGKRZSA-N 219.332 2.225 0 40 BEAB Cc1cccn(Cc2ccccc2F)c1=O 69814528 ZKJUGZMVKIGRAO-UHFFFAOYSA-N 217.243 2.344 0 40 BEAB Fc1cc(Br)cc2c1CNCC2 70652873 PYEHFROKBCYAIV-UHFFFAOYSA-N 230.080 2.234 0 40 BEAB in-vitro Cc1cc(NCc2ncccc2C)nc(C)n1 71344461 ZSVSXEOJGARPIC-UHFFFAOYSA-N 228.299 2.409 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cccnc1Cl 72211492 KGNPVMYFWBACQB-SNVBAGLBSA-N 224.691 2.418 0 40 BEAB COC(=O)c1cc(C=O)c(Cl)s1 75605290 LMIFEQDKMZKZJT-UHFFFAOYSA-N 204.634 2.001 0 40 BEAB CCCCN(C)c1ncnc2[nH]ccc12 82359087 LZJVOETVILZDGX-UHFFFAOYSA-N 204.277 2.194 0 40 BEAB CCCN(CC(=O)O)[C@@H]1CCc2ccccc2C1 83662684 HJQQZBLRSBBBIR-CQSZACIVSA-N 247.338 2.341 0 40 BEAB CC(C)(O)CSCCNC[C@@H]1CC=CCC1 95434027 HDTJSYAYFMTGSB-GFCCVEGCSA-N 243.416 2.436 0 40 BEAB Cc1nnc(CN(C)CCC2CCCC2)n1C 96424626 ZYRJIEPEPBATKT-UHFFFAOYSA-N 236.363 2.136 0 40 BEAB O=c1c2ccsc2ccn1C[C@H]1CCOC1 96500041 IXNGUNYYTSHCRL-SECBINFHSA-N 235.308 2.100 0 40 BEAB C[C@@H](O)[C@H]1CCCN(Cc2ccsc2)C1 97162224 JDUAPMVTYRTUMM-PWSUYJOCSA-N 225.357 2.341 0 40 BEAB CC(C)=CC/C=C1\CC[C@H]2C(=O)NC(=O)[C@H]2C1 100244564 XPGHNXMVHVOVHW-SRXIBPRUSA-N 233.311 2.342 0 40 BEAB Cc1ccccc1NC(=O)N1[C@@H]2CC[C@@H]1COC2 101467145 KZPBNRTZXKJCJT-VXGBXAGGSA-N 246.310 2.390 0 40 BEAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 102059029 MOABDNRPQYWPMS-SRVKXCTJSA-N 207.317 2.435 0 40 BEAB O=C1CCN(C2(c3ccccc3)CC2)CC1 144617760 QUYYJXOIVVJUAU-UHFFFAOYSA-N 215.296 2.341 0 40 BEAB Cc1ccc2c(c1)[C@H]1CCC[C@@H]3NCCN2[C@H]31 169619884 GMKHTMHRPNKUFI-ZLDLUXBVSA-N 228.339 2.423 0 40 BEAB CCn1cc(Cc2ccc(C)cc2)nc1N 199550272 LBMLUFFVFGVJSU-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB Cc1cc(F)cc(Br)c1C(=N)N 199752426 GRKHWIPHOWXMKI-UHFFFAOYSA-N 231.068 2.181 0 40 BEAB CC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 200984253 MJWHJIAKRSSNCK-CYBMUJFWSA-N 249.310 2.434 0 40 BEAB O=C(NCC[C@H](O)c1ccsc1)C1CCC1 217524124 REEQHXDVPBHZIN-NSHDSACASA-N 239.340 2.088 0 40 BEAB O=C1CCC[C@H]2NC[C@H](c3ccccc3)[C@@H]12 219772982 IYBQIESBEUYFKD-YRGRVCCFSA-N 215.296 2.111 0 40 BEAB CC(C)CNc1ccc(C(=O)NC(C)C)cc1N 225407186 CLFDZXHTOQGBFU-UHFFFAOYSA-N 249.358 2.475 0 40 BEAB Cc1cncc(Cn2cnc(C(C)C)n2)c1 664108273 XSVVXFDVEFAHCZ-UHFFFAOYSA-N 216.288 2.153 0 40 BEAB Cc1ccc(F)cc1NC(=O)c1ccno1 1888879218 OSJCLRHALRJQNY-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB CC(C)C=C1N[C@@H](c2ccccc2)OC1=O 2049250031 GFCWYYFWAQGXPR-GFCCVEGCSA-N 217.268 2.372 0 40 BEAB CC(C)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O 80112 QVTRQASQYBGQIK-GFCCVEGCSA-N 246.310 2.153 0 40 BEAB Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O 1577209 LYWNNXMNOSKLHY-UHFFFAOYSA-N 230.285 2.071 0 40 BEAB CCOc1ccccc1C(=O)NC(C)C 1599173 TZBLZLGJLHFAFH-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB O=C(CNC1CCCC1)c1cccc(O)c1 1742398 FKIIGWVTLHPUSP-UHFFFAOYSA-N 219.284 2.107 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc(Cl)cc1 2800922 TZOFBJFVVRELPS-MRVPVSSYSA-N 227.691 2.105 0 40 BEAB Cn1ccnc1SC(=O)c1ccc(F)cc1 5613300 ZWTPYKWNGCQJKR-UHFFFAOYSA-N 236.271 2.492 0 40 BEAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)cc1 6922965 WYQVMNNOJHPEAF-RYUDHWBXSA-N 234.299 2.030 0 40 BEAB CCCOc1ccc(C(=O)NC)cc1OCC 9974021 DCZYCRUOONMWNM-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB Cc1nc2nc(C)c(-c3cccs3)c(N)n2n1 13638073 AJQCUGQFRYFBKC-UHFFFAOYSA-N 245.311 2.052 0 40 BEAB O=C(Nc1ccc2[nH]ncc2c1)c1ccncc1 13736823 ODKCDXHJWUVFEF-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCc1ccc(CNn2cn[nH]c2=S)cc1 17744255 FYOFHBSZNKEIJJ-UHFFFAOYSA-N 234.328 2.247 0 40 BEAB CC(C)CC(=O)Nc1ccc(N)cc1F 20157250 PJXOMDLWNQHUFR-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB CCC(=O)CC(=O)c1cccc(OC)c1 20375599 WYCXFMMTPRPVDF-UHFFFAOYSA-N 206.241 2.247 0 40 BEAB C[C@@H](N)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 20594532 VTBIATVXDXCNEC-OASPWFOLSA-N 204.317 2.203 0 40 BEAB CC(C)[C@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 23056268 HQYBVHOAOLSZRR-VIFPVBQESA-N 247.298 2.444 0 40 BEAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2CCCO2)o1 27852448 PGNUEFAODSLBII-KPYDUXRZSA-N 249.310 2.285 0 40 BEAB Cc1cc(C)n(CCCNC(=O)C2CCCC2)n1 28573264 JFFOGOCVWFDOBH-UHFFFAOYSA-N 249.358 2.196 0 40 BEAB CC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 30835647 ILFOVOGNBJSZLG-ZDUSSCGKSA-N 235.283 2.203 0 40 BEAB CC(C)(CC(=O)O)CC(=O)OC(C)(C)C 34615002 VZGKSQFJNXGNHH-UHFFFAOYSA-N 216.277 2.219 0 40 BEAB Brc1ccoc1C1OCCCO1 38953553 CUSTUVHFBFGKEP-UHFFFAOYSA-N 233.061 2.478 0 40 BEAB COC[C@H](C)Nc1cc(F)cc(F)c1 53172316 UUUVVLUBYNPWTI-ZETCQYMHSA-N 201.216 2.412 0 40 BEAB CCCCN(C)C(=O)c1ccc2c(c1)OCCO2 57026485 SOIHDDNAFCSJRT-UHFFFAOYSA-N 249.310 2.330 0 40 BEAB COC[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 58283588 RKKDJOJSSLBGMY-SRVKXCTJSA-N 239.359 2.376 0 40 BEAB CCOC(=O)CCOc1cccc(F)c1F 62610850 RNBLQJBWBATYMB-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB CCCCCNC(=O)NCc1c(C)n[nH]c1C 65536734 IMKDSWLZYUBIAA-UHFFFAOYSA-N 238.335 2.016 0 40 BEAB Cc1ccccc1Cn1cc(C)c(N)n1 69606282 BAJSSBBBNCUZFY-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB CNc1cc(C[C@@H]2CCCN(C(C)C)C2)ncn1 72356988 ANCBIONJYYCODZ-LBPRGKRZSA-N 248.374 2.181 0 40 BEAB CN1CCC[C@@H](Cc2cncc(Cl)n2)C1 72363346 ROHMWWWYKSJYLU-VIFPVBQESA-N 225.723 2.014 0 40 BEAB Cc1cccc(C)c1C(=O)N1CCCOCC1 74725459 VSJXPNOKYQLCQO-UHFFFAOYSA-N 233.311 2.166 0 40 BEAB C[C@H](CCC(=O)O)C(=O)c1ccccc1 75613023 CVWMDGKRYGCFTF-SECBINFHSA-N 206.241 2.370 0 40 BEAB CC[C@H](C[C@@H](C)CO)Nc1cncc(Cl)n1 76084081 JHMSHMTTZASCRA-RKDXNWHRSA-N 243.738 2.339 0 40 BEAB Cc1cc(O)cc(C)c1NC(=O)[C@H]1CCCCN1 77293611 PNGZGTQKSFXTPA-GFCCVEGCSA-N 248.326 2.090 0 40 BEAB in-vitro CC(C)c1nnc(Cn2cc(Cl)cn2)o1 77957382 ACURRBMLMNYMJK-UHFFFAOYSA-N 226.667 2.091 0 40 BEAB CC(C)[C@@H]1CN(C[C@@H]2CCOC2)CCS1 89802139 HYDNABAJSAZKHF-RYUDHWBXSA-N 229.389 2.096 0 40 BEAB BrC1=NO[C@H]2CCCC[C@H]12 95098330 FRMLJVTYXPWPDG-WDSKDSINSA-N 204.067 2.284 0 40 BEAB CCC[C@](C)(CO)NC[C@@H]1CC=CCC1 95434021 ORQCYYXHMFCLTB-CHWSQXEVSA-N 211.349 2.483 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(CCC2=O)C1 95707258 WHJLPRVITSVHFJ-ZDUSSCGKSA-N 239.315 2.367 0 40 BEAB C[C@H](NC(=O)C1CC=CC1)C(C)(C)CN(C)C 96449606 VNLAYUPASZOZTK-NSHDSACASA-N 238.375 2.045 0 40 BEAB CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(=O)O)o1 97020129 CULVGIKEFCRFHK-YUMQZZPRSA-N 239.271 2.142 0 40 BEAB CC[C@H](N[C@@H]1CCCSC1)[C@@H]1CCCO1 97370932 FEFHHZAYJPCWCB-WOPDTQHZSA-N 229.389 2.429 0 40 BEAB CCNC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 98013996 QRVPOMSSPMEJKM-WCQYABFASA-N 248.326 2.178 0 40 BEAB O=C1CCC[C@H]2c3cc(F)ccc3N[C@H]12 100021637 IHIIJLANCVFABM-UFBFGSQYSA-N 205.232 2.456 0 40 BEAB CC1(C)[C@]2(C)CC[C@]1(CC(=O)O)CC2=O 103611278 OOKLLGFRJXQVEU-VXGBXAGGSA-N 210.273 2.247 0 40 BEAB c1ccc(-c2nccn2Cc2cccnc2)nc1 108663224 WZXGUWHQODGEQE-UHFFFAOYSA-N 236.278 2.388 0 40 BEAB COc1cc(C(=O)COC(C)=O)ccc1Cl 196496137 QDDNEUKSOGYSJV-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CCO[C@@H](Cc1ccc(C)c(C)c1)C(=O)O 225035277 MFIMMTPDGWQOOZ-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB CO[C@H]1[C@H]2CC[C@H]1N(c1cccc(F)c1)C2 247986796 ZHMMSAGNFRKOQN-BIMULSAOSA-N 221.275 2.439 0 40 BEAB CCCn1cc(NCc2cnn(CC)c2)c(C)n1 256051251 IKGYFRYVXGCSID-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCc1[nH]c2cc(OC)ccc2c(=O)c1C 685938330 HUVCVWQAUALVHB-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB c1cnc([C@H]2CCCN2CC2CCOCC2)cn1 1202590759 JYYWZICLHXMAHP-CQSZACIVSA-N 247.342 2.040 0 40 BEAB CP(C)(=O)c1cc(N)ccc1Br 1772796524 LASBNAVMZLDAEM-UHFFFAOYSA-N 248.060 2.279 0 40 BEAB CO[C@@H](CCSC)CNC(=O)C1CCCC1 1850042606 HQAXMJXCPWUAFH-NSHDSACASA-N 245.388 2.061 0 40 BEAB Cc1ccc(OCC(=O)N2CCCC2)cc1C 780051 DZPLHRJSSNLLMN-UHFFFAOYSA-N 233.311 2.305 0 40 BEAB NCCc1ccc(N2CCCCC2)cc1 3602538 HTKAXRQMCRKDSV-UHFFFAOYSA-N 204.317 2.178 0 40 BEAB Cc1ccccc1NCN1C(=O)CSC1=O 3880741 RPQLSYMAQRHCBC-UHFFFAOYSA-N 236.296 2.060 0 40 BEAB Cc1ccc(N)cc1NC(=O)CN1CCCCC1 4170859 IQWGRCZHOQKEGQ-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB c1ccc2c(c1)C[C@@H](CN1CCCCC1)O2 4713688 ZYVNJOJLNKFXGE-ZDUSSCGKSA-N 217.312 2.476 0 40 BEAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(C)c1 7610193 SXFAYERKVJFERF-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB Cc1ccc(C2=N[C@H]3C=NN=C3S2)cc1 17957934 XSTVVCVONLYQME-VIFPVBQESA-N 215.281 2.255 0 40 BEAB CCCCn1ncc(Br)c1C(=O)O 20313836 CQDXJVSGOSYWRJ-UHFFFAOYSA-N 247.092 2.144 0 40 BEAB Nc1cccnc1N1CCc2ccccc21 20353335 ZCQRTPZZCMCRDX-UHFFFAOYSA-N 211.268 2.358 0 40 BEAB O=C1C[C@H](c2ccccc2C(F)(F)F)CN1 22005471 PTHNELFHDXCEGD-ZETCQYMHSA-N 229.201 2.309 0 40 BEAB CC(=O)c1c[nH]c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 25713173 YSCCLECAUBVEPF-AOOOYVTPSA-N 248.326 2.335 0 40 BEAB CCOC(=O)c1[nH]c2cccc(F)c2c1N 26898335 QIMWUTMSCVHQFK-UHFFFAOYSA-N 222.219 2.066 0 40 BEAB C[C@@H](NC(=O)Nc1ccccc1)[C@@H]1CCCO1 32779592 ORVMNWRTDGUJFL-PWSUYJOCSA-N 234.299 2.376 0 40 BEAB O=C1c2ccccc2C(=O)N1O[C@@H]1C=CCCC1 34092495 QXFTXVXMRKJENL-SNVBAGLBSA-N 243.262 2.323 0 40 BEAB c1cc(-n2ccnc2)cc(-n2ccnc2)c1 34484985 GDWGYEKGZJOUHE-UHFFFAOYSA-N 210.240 2.058 0 40 BEAB COC(=O)[C@H](C)CN[C@@H](C)c1ccccc1 34591102 KIJCPIKSICZNKI-MNOVXSKESA-N 221.300 2.146 0 40 BEAB Nc1cccc(-c2noc(C(F)(F)F)n2)c1 35697202 FEPMSRYYFXNOOH-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB in-vitro COc1cccc([C@H]2C[C@@H]2[C@H](C)N)c1OC 36922592 NRMIRCUHNDPXEF-JMJZKYOTSA-N 221.300 2.155 0 40 BEAB CC(C)(C)c1cnc(C2CCNCC2)o1 40543232 GEFFUXRYLHOACO-UHFFFAOYSA-N 208.305 2.439 0 40 BEAB O=C(O)[C@@H](O)c1cc(Cl)cc(Cl)c1 40734163 MIEFWJKVKNYRRC-ZETCQYMHSA-N 221.039 2.111 0 40 BEAB in-vitro OCCc1cccc(OC(F)(F)C(F)F)c1 44381773 ORNXBCOLXKQUPF-UHFFFAOYSA-N 238.180 2.458 0 40 BEAB CN(CCOc1ccccc1F)C(=O)C1CC1 44874059 HYHMDIDHHZDHOM-UHFFFAOYSA-N 237.274 2.073 0 40 BEAB CCC(=O)Nc1ccc2nc(N)sc2c1 59349857 OYLMBEKVWFKEBL-UHFFFAOYSA-N 221.285 2.227 0 40 BEAB FC(F)(F)c1ccc(C[C@H]2CNCCO2)cc1 71559590 MQDHOZCYVUDXDY-NSHDSACASA-N 245.244 2.236 0 40 BEAB CC(C)(C(=O)Nc1cn[nH]c1)c1ccc(F)cc1 72254934 XPAASUYDWGABSO-UHFFFAOYSA-N 247.273 2.465 0 40 BEAB Nc1ccccc1[C@@H]1NC(=O)c2ccccc2O1 72397393 ZULQHFVCMQWLJO-CQSZACIVSA-N 240.262 2.090 0 40 BEAB NC(=O)c1ccc(-c2cc(N)ccc2Cl)o1 73640436 DBEMUDLOHBPAAZ-UHFFFAOYSA-N 236.658 2.281 0 40 BEAB CC(C)(C)C(=O)N1CCN=Cc2cc(N)ccc21 73642175 IXLHRXCMLYOKTR-UHFFFAOYSA-N 245.326 2.080 0 40 BEAB Cc1nn(-c2ccc(Cl)cc2Cl)nc1N 89261795 PHORYUQSNKUMLX-UHFFFAOYSA-N 243.097 2.465 0 40 BEAB CCCn1c(C)nnc1COC(=O)C=C(C)C 95447831 VKBMCQINWVDWSE-UHFFFAOYSA-N 237.303 2.006 0 40 BEAB CC(C)COc1ccc(F)cc1CCO 95731999 IKXAGOGIAFAZHP-UHFFFAOYSA-N 212.264 2.395 0 40 BEAB CC[C@H](C(=O)c1cccc(C)c1)S(C)(=O)=O 96518054 UVVCMHIOCOCLCJ-LLVKDONJSA-N 240.324 2.001 0 40 BEAB Cc1cccc(N2CCC(n3cccn3)CC2)n1 97096610 VTJUIWFBZDPMHK-UHFFFAOYSA-N 242.326 2.428 0 40 BEAB O=C(c1ccc2[nH]ccc2c1)N1CCSCC1 98009536 IPSDKTKIBYNHQP-UHFFFAOYSA-N 246.335 2.357 0 40 BEAB C[C@@H]1CCc2cccc3c(O)cc(=O)n1c23 100631078 RIBPAGAFDHWHFK-MRVPVSSYSA-N 215.252 2.214 0 40 BEAB COc1cccc([C@H](O)CN(C)[C@H](C)C2CC2)c1 106832146 ZHXXABMMPPDLDB-IAQYHMDHSA-N 249.354 2.459 0 40 BEAB CCN(CC)[C@@H](Cc1ccccc1F)C(=O)O 107843706 NONKRDSRGIDNLL-LBPRGKRZSA-N 239.290 2.163 0 40 BEAB CCn1cc(C=O)c2ccc(C(=O)OC)cc21 114959916 QIBQCLSEIBGUGH-UHFFFAOYSA-N 231.251 2.260 0 40 BEAB CCOC(=O)Cc1c[nH]c2cccc(OC)c12 182336912 JHUNUOOWAUAGQO-UHFFFAOYSA-N 233.267 2.282 0 40 BEAB CC(C)(C)OC(=O)N1CCC(O)(C2CC2)CC1 242437330 BZHWMQXQXBKNQS-UHFFFAOYSA-N 241.331 2.158 0 40 BEAB NC[C@@H](C[C@@H](N)c1ccccc1)C(F)(F)F 256051005 HIWLTYLVNHJCAY-NXEZZACHSA-N 232.249 2.214 0 40 BEAB c1cc(N2CCC[C@H](c3nccs3)C2)ncn1 257278388 OCBFGOJYBGZPHY-JTQLQIEISA-N 246.339 2.317 0 40 BEAB COC(=O)c1cc(-c2ccc(C)s2)on1 260592735 IJWMEWYPOHBNIB-UHFFFAOYSA-N 223.253 2.498 0 40 BEAB C[C@@H](O)CCN1Cc2ccccc2C(F)(F)C1 649388299 PUDZSNDMYLBDHC-SNVBAGLBSA-N 241.281 2.365 0 40 BEAB CCn1ncnc1-c1ccc2c(c1)C[C@H](C)O2 864534587 CYLXWJNNUHKTBQ-VIFPVBQESA-N 229.283 2.288 0 40 BEAB OCc1c(S)cccc1Br 1772714666 FWYPMKMGZQRSDX-UHFFFAOYSA-N 219.103 2.230 0 40 BEAB Cc1cccc(Cl)c1NC1=NCCO1 1623482 KLPYCRGYJMWSFW-UHFFFAOYSA-N 210.664 2.447 0 40 BEAB C[C@H](CC(=O)O)Cc1ccc2c(c1)OCO2 1670459 QCIUIFDTJVPNHU-QMMMGPOBSA-N 222.240 2.069 0 40 BEAB Sc1nnnn1-c1ccc(Cl)c(Cl)c1 2583817 CAFFRONNGPFZKV-UHFFFAOYSA-N 247.110 2.258 0 40 BEAB CCCCCNS(=O)(=O)Cc1ccccc1 4672340 MQNOUHABCACPEI-UHFFFAOYSA-N 241.356 2.296 0 40 BEAB CCOCCC(=O)Nc1cc(F)cc(F)c1 4834747 SWTBNSJDEHZCPW-UHFFFAOYSA-N 229.226 2.330 0 40 BEAB Nc1ccccc1CNC(=O)NC1CCCCC1 5589412 NZLHFIJQQHOTBF-UHFFFAOYSA-N 247.342 2.401 0 40 BEAB C[C@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)N1 8701192 XMCZSVZCOOYCDS-IUCAKERBSA-N 239.750 2.109 0 40 BEAB COc1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 8848128 HVBCOPCCBOWVPA-CYBMUJFWSA-N 248.278 2.364 0 40 BEAB COc1cccc(-c2ccc3c(N)n[nH]c3n2)c1 11757322 ZDVYYWFAYZPXRT-UHFFFAOYSA-N 240.266 2.216 0 40 BEAB O=C(O)c1cccc(OCC(F)F)c1 12395158 VNUDXYRBOOGWJL-UHFFFAOYSA-N 202.156 2.029 0 40 BEAB OC[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 13568177 KRIDCXMQJUMNJH-LBPRGKRZSA-N 244.338 2.372 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)s1 16603972 CFKIOTBWINBACY-UWVGGRQHSA-N 239.340 2.354 0 40 BEAB c1ccc(OCCOCC2CCNCC2)cc1 19503938 FRNAXBAQVFJIIK-UHFFFAOYSA-N 235.327 2.082 0 40 BEAB Nc1ccc(-c2nc3cnccc3o2)cc1 20158674 XLCQTFFDEWTZDP-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB O=C(Nc1cccnc1)NC1CCCC1 24535652 ZEHKBVVHWSLSFE-UHFFFAOYSA-N 205.261 2.146 0 40 BEAB COc1ccc(C)cc1CN(C)C(=O)N(C)C 32860268 OLIOHGRHLCBHBW-UHFFFAOYSA-N 236.315 2.117 0 40 BEAB Cc1cccc(C(=O)N[C@@H](C)Cc2ccco2)n1 33209410 KATVJXMYPROLEC-NSHDSACASA-N 244.294 2.344 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)c1ccccc1 34799541 SKQYQIMZWAEHGC-MRVWCRGKSA-N 247.338 2.415 0 40 BEAB CC(C)[C@@H](C)N[C@@H](C)c1nnc2ccccn12 36968999 NEFNANGNQCAHHR-MNOVXSKESA-N 232.331 2.424 0 40 BEAB CCC[C@H](O)Cc1ccc2c(c1)OCO2 37628113 VDWJJCCIJUYMRH-JTQLQIEISA-N 208.257 2.119 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCCCC1=O 38674361 JKQHPVNJIQJWGV-VIFPVBQESA-N 227.304 2.413 0 40 BEAB in-vitro Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1C 40415094 KTUNYMWLYJTJJQ-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB CC1CCN(C(=O)CSC(F)(F)F)CC1 40513837 GHVVDRYXLJFHEI-UHFFFAOYSA-N 241.278 2.498 0 40 BEAB COC(=O)c1ccc(N2CCCCCC2)c(N)c1 41079916 JZWQTDDIBCHGFC-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB CN(Cc1cccs1)c1ncnc2[nH]ncc12 41121166 XJAVBWSRMIMTMH-UHFFFAOYSA-N 245.311 2.051 0 40 BEAB O=C(O)C1(c2ccccc2Cl)CCOCC1 44269654 GFRLHYDLHJNYMU-UHFFFAOYSA-N 240.686 2.473 0 40 BEAB in-vitro O=C1NCCc2c1ccc(Cl)c2Cl 47844244 SBVHUZPHJVYZAN-UHFFFAOYSA-N 216.067 2.279 0 40 BEAB in-vitro CCCS(=O)(=O)N[C@@H](C)c1ccc(C)s1 48959767 BYNUAGBPHNCTGZ-VIFPVBQESA-N 247.385 2.447 0 40 BEAB Cc1c(Br)cc(C(=O)O)c(O)c1C 57339452 FCKMDHUCFWTDSV-UHFFFAOYSA-N 245.072 2.470 0 40 BEAB CN(C)CC(C)(C)CN[C@@H]1CCCSC1 61570868 OMWVPYKKXRQPQP-LLVKDONJSA-N 230.421 2.059 0 40 BEAB CC(C)OC(=O)c1ccc(CN2CCCC2)o1 62718784 FOLYPSGRHFILBN-UHFFFAOYSA-N 237.299 2.441 0 40 BEAB O=C(O)c1cn2c3c(cccc13)CCC2 64033447 MRXVBECVIDBEOS-UHFFFAOYSA-N 201.225 2.286 0 40 BEAB O=C(C1CCC1)N1CCCc2ncccc21 69416305 MHYBLKZXBLITRJ-UHFFFAOYSA-N 216.284 2.161 0 40 BEAB Cc1cnn(CCNC/C=C/c2ccccc2)c1 69981508 TZRDNEIUAQPCBW-VMPITWQZSA-N 241.338 2.495 0 40 BEAB COC(=O)c1c[nH]cc1-c1cccc(OC)c1 72207378 XXMVGAZRLNPNJI-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB Cc1nc(N(C)Cc2ccccc2)ccc1CN 72224433 WJSYZGGMBHDUJF-UHFFFAOYSA-N 241.338 2.485 0 40 BEAB CCNC(=O)c1nnsc1-c1ccc(C)cc1 72240048 KIIVVILLDBLXBO-UHFFFAOYSA-N 247.323 2.263 0 40 BEAB O=C(O)CCn1c(=S)[nH]c2ccccc21 73636083 YVHAVWLNPPSAOG-UHFFFAOYSA-N 222.269 2.174 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCN(C)c2ccc(F)cc21 81074418 UBFVARLRHWGQHG-GXSJLCMTSA-N 248.301 2.265 0 40 BEAB O=C(O)C(F)(F)c1nc2ccccc2s1 90225772 DGJHHJIQYJOCRB-UHFFFAOYSA-N 229.207 2.473 0 40 BEAB Clc1nc(N2CCOCC2)nc2ccccc12 95215242 UWAUCVLFWGAOGM-UHFFFAOYSA-N 249.701 2.120 0 40 BEAB COc1ccccc1-c1nc([C@@H](N)C(C)C)n[nH]1 95534762 KMQBTGFOKOAMAJ-NSHDSACASA-N 246.314 2.136 0 40 BEAB COc1ccn2ncc(Br)c2c1 95642862 UBMXVPNXJBIJQI-UHFFFAOYSA-N 227.061 2.105 0 40 BEAB CNc1nc(Br)c(C)s1 95830056 XZFFHJBLPYZMAX-UHFFFAOYSA-N 207.096 2.256 0 40 BEAB CNC(=S)N(C1CC1)[C@H](C)c1ccccn1 95955786 LHDPSKJDMUBCFD-SECBINFHSA-N 235.356 2.111 0 40 BEAB O=C(NCC(F)(F)F)Nc1ccc(O)cc1 97094735 SOAMKGBPVVAPOD-UHFFFAOYSA-N 234.177 2.076 0 40 BEAB C[C@H](NCC1OCCO1)[C@@H](C)c1ccccc1 97110053 DVXLKOJXWAFTKD-NEPJUHHUSA-N 235.327 2.141 0 40 BEAB C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CC2)C1 97138448 LJHHOJBZZCGGLP-YGRLFVJLSA-N 239.359 2.090 0 40 BEAB CC(C)c1ccc(OCC(N)=O)c(Cl)c1 216908289 HGZMITZPMDCRBN-UHFFFAOYSA-N 227.691 2.328 0 40 BEAB CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(C)C(=O)[C@H]12 245229384 WMCIENSNBKBGKV-LWWSYDQCSA-N 247.338 2.230 0 40 BEAB Cc1ccc(CN2CCOC(C)(C)[C@@H]2C)cn1 334406503 HXWOQNJKTWWROS-LBPRGKRZSA-N 234.343 2.389 0 40 BEAB CCCn1ncc(Br)c1COC 408717308 YETOKEAALBTKAN-UHFFFAOYSA-N 233.109 2.202 0 40 BEAB CC(=O)n1ccc(NC(=O)OC(C)(C)C)c1 1857794234 IABYDTZHJGLRJD-UHFFFAOYSA-N 224.260 2.495 0 40 BEAB CC(C)(C)OC(=O)NCCc1cccnc1 1433121 USVPFSNESMWFKV-UHFFFAOYSA-N 222.288 2.149 0 40 BEAB N=C(N)c1cccc(C(F)(F)F)c1F 1443066 IMUYMHPRCIDKOK-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB CCOC(=O)C(C)(/C=C/C(C)C)C(=O)OCC 1600406 ACWSITKGBGYMAF-CMDGGOBGSA-N 242.315 2.331 0 40 BEAB COc1cc(NCCCN)c2ncccc2c1 1683350 HXYREIXFCQCQAD-UHFFFAOYSA-N 231.299 2.004 0 40 BEAB C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccccc1 2510510 PUVALBABJRFOQO-NEPJUHHUSA-N 217.312 2.486 0 40 BEAB CC[C@H](C)NC(=O)COc1cccc(C(C)=O)c1 2659230 QXKGSBBBBLUGBA-JTQLQIEISA-N 249.310 2.183 0 40 BEAB Fc1ccc(Nc2ncnc3[nH]cnc23)cc1F 2719601 BJPBSWVXEOTBEI-UHFFFAOYSA-N 247.208 2.375 0 40 BEAB CCCOC(=O)c1ccc2nc(N)sc2c1 3881162 HINRBHITGZVSRN-UHFFFAOYSA-N 236.296 2.445 0 40 BEAB CN(C)C[C@H]1CCCc2ccccc2C1=O 5207928 KXZUEKMRAUIUJL-GFCCVEGCSA-N 217.312 2.383 0 40 BEAB O=Cc1cccc(OC[C@@H]2CCCO2)c1 6677483 RFEIFSQBYWKHQP-LBPRGKRZSA-N 206.241 2.057 0 40 BEAB COC(=O)c1ccc(-c2ccccc2)[nH]1 6751489 GLGJCZQHYJZQMC-UHFFFAOYSA-N 201.225 2.468 0 40 BEAB in-vitro O=C(N[C@@H]1CCCc2occc21)c1ccncc1 12874336 ZGGHFTYPFIEUPY-GFCCVEGCSA-N 242.278 2.482 0 40 BEAB NC(=O)C1(c2ccc(Cl)cc2)CCC1 12926314 CEMNTPZYNUZZPF-UHFFFAOYSA-N 209.676 2.247 0 40 BEAB O=C(CN1CCCC1)Nc1ccc2c(c1)CCC2 12977883 KIQZZJSJAWMGKI-UHFFFAOYSA-N 244.338 2.210 0 40 BEAB CN1CCN(c2cccc(Cl)c2)CC1 13470054 BGVQAXHXGFPYTQ-UHFFFAOYSA-N 210.708 2.092 0 40 BEAB CCN(C(=O)C1CCNCC1)C1CCCCC1 19412418 XIYKRDKJSUVKOQ-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB O=C(O)Cc1ccc(OCc2ccncc2)cc1 19843608 LXWPGMRTGJBDEN-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB in-vitro CCN1CCN(c2ccc(C(C)=O)cc2)CC1 19871146 UCINQQCVDYBSCO-UHFFFAOYSA-N 232.327 2.031 0 40 BEAB COC(=O)/C=C/c1ccc(C)cc1OC 20154470 GLTPFTABPZAJTQ-VOTSOKGWSA-N 206.241 2.190 0 40 BEAB Cc1ccc(-c2nc(CC(=O)O)cs2)o1 20282935 YDVDHYNCXQZRMG-UHFFFAOYSA-N 223.253 2.339 0 40 BEAB in-vitro CCOc1ccc(C2(C(=O)O)CC2)cc1 20429472 QKVQTZMPPVPNOK-UHFFFAOYSA-N 206.241 2.202 0 40 BEAB in-vitro N[C@@H]1CCc2cccc(Br)c2C1 22129859 YNXLDZYAFGPNHL-MRVPVSSYSA-N 226.117 2.265 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)c1ccoc1C 28227944 NZRKZPWMHGSWCK-UHFFFAOYSA-N 233.271 2.191 0 40 BEAB C[C@H]1C[C@H](C)CN(CC(=O)c2ccc[nH]2)C1 28659707 BPSLVWHOKAHHSA-QWRGUYRKSA-N 220.316 2.175 0 40 BEAB O=C(O)CCc1cncc2ccccc12 35569644 GBMVAUNCJGWEQJ-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB in-vitro CCONC(=O)c1sc(C(C)C)nc1C 40093850 RJWVLQMHUYYXEH-UHFFFAOYSA-N 228.317 2.256 0 40 BEAB Cc1ccc(CNC(=O)Nc2cn[nH]c2)s1 45677514 JMFMIPDQLSKJJF-UHFFFAOYSA-N 236.300 2.101 0 40 BEAB COc1ncccc1NC(=O)c1ccc(C)nc1 47553719 CQMNPEONDRKOGJ-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1cc(NC(=O)OCC(F)(F)F)on1 47844075 BWZHUIIXDSEQLE-UHFFFAOYSA-N 224.138 2.094 0 40 BEAB in-vitro CCCCNC(=O)c1c(F)cccc1F 55529613 PCPVDEOYJAPRHL-UHFFFAOYSA-N 213.227 2.495 0 40 BEAB CCOc1ccc(CNCCCN(C)C)cc1 57362365 SLPVNMDJHFRRFN-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB COc1ccc(CNc2nccc(C)n2)cc1 61858839 TWLPGMHHLMIZTE-UHFFFAOYSA-N 229.283 2.406 0 40 BEAB CC[C@@H](O)CCc1nc2ccccc2[nH]1 62702319 CIEVPQWGLBBGNI-SECBINFHSA-N 204.273 2.266 0 40 BEAB CCc1cccc(C)c1NC(=O)NCCCO 65564824 UAEBGJCEZYZUQP-UHFFFAOYSA-N 236.315 2.061 0 40 BEAB CCOC(=O)CC(=O)c1cc(C)cc(C)c1 71976799 PRURSOXTMNELQI-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB CCCOc1cc(C(=O)O)nn1-c1ccccc1 72209293 HTVUEVCYSRFUMV-UHFFFAOYSA-N 246.266 2.359 0 40 BEAB NC(=O)Nc1cccc(Br)c1F 75903286 LJWRVCBMWKTPDD-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB COc1ccc(C(=O)OCC(F)F)c(OC)c1 78442239 FRCVKPOQRDMBDP-UHFFFAOYSA-N 246.209 2.126 0 40 BEAB COC(=O)c1sc(C)cc1OC(F)F 79350275 NHVAATRJDQHMEL-UHFFFAOYSA-N 222.212 2.445 0 40 BEAB Cc1cc(C)n(CC2(O)CCCCC2)n1 83586052 CNMBNEPIUAUAAW-UHFFFAOYSA-N 208.305 2.195 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@@H]2CCCN[C@H]2C)c1 91496546 URYYTKGBFRLNNV-GXTWGEPZSA-N 246.354 2.174 0 40 BEAB COc1cc(F)c(C(=O)OC(C)C)cc1OC 95414146 LFCNXSYNNHSQGY-UHFFFAOYSA-N 242.246 2.408 0 40 BEAB COC(=O)c1sc(OC)c(Cl)c1OC 96510972 RRSBTHKFHKSKMD-UHFFFAOYSA-N 236.676 2.205 0 40 BEAB CN(C)c1cccc(NC(=O)CC(F)(F)F)n1 97081971 INEJWRIRFFZHTM-UHFFFAOYSA-N 247.220 2.039 0 40 BEAB CS(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 98013687 OJJCRFNACDVFMR-SNVBAGLBSA-N 245.731 2.046 0 40 BEAB Cc1ccc(F)c2c1ncc1c(=O)o[nH]c12 100889384 NLZVOSNDPIXEPG-UHFFFAOYSA-N 218.187 2.117 0 40 BEAB C=C(OCC)c1nc(Cl)ncc1F 143696648 XLQBGHCEOGXTKN-UHFFFAOYSA-N 202.616 2.276 0 40 BEAB c1cc([C@H]2CCCN2C2CCCC2)[nH]n1 205701322 WFLZJWBFVGUTPQ-GFCCVEGCSA-N 205.305 2.489 0 40 BEAB CO[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225081160 MGUKLGKTDPFVIS-JTQLQIEISA-N 228.675 2.291 0 40 BEAB Cc1cnn(CCCC(=O)O)c1C(F)(F)F 238855482 SAOVAOPHQIRIGC-UHFFFAOYSA-N 236.193 2.075 0 40 BEAB Cc1cn(C(C)C)nc1NCc1cn(C)nc1C 256054895 YFQJCVJLOJGBIN-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Clc1ccc2c(c1)[C@]1(CC2)COCCN1 306145528 HTBJMLQEJQRECZ-LBPRGKRZSA-N 223.703 2.101 0 40 BEAB CCOC(=O)c1cc2ccc(O)nc2s1 575444825 UMIGJKFVTOZTPE-UHFFFAOYSA-N 223.253 2.179 0 40 BEAB CSc1cccc(NC(=O)c2cnccn2)c1 69713 KETPCTZRTHXHHJ-UHFFFAOYSA-N 245.307 2.451 0 40 BEAB OCCCC[C@H]1CO[C@H](Cc2ccccc2)O1 1677470 HBJMOXNNASYHFM-KBPBESRZSA-N 236.311 2.133 0 40 BEAB CCOC(=O)[C@@H](CCN(C)C)c1ccccc1 2046339 FHHDBEYDICPUQH-ZDUSSCGKSA-N 235.327 2.285 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(OC)cc(OC)c1 2736247 VOSLSQFQTWAFOL-SECBINFHSA-N 237.299 2.232 0 40 BEAB COc1ccc([C@H](C)N)cc1Br 3705502 ODYLWSUKSYAEEN-LURJTMIESA-N 230.105 2.477 0 40 BEAB in-vitro CN(C)c1ccc(-n2cccc2CO)cc1 8701681 LRJPHCQLXUQNDD-UHFFFAOYSA-N 216.284 2.036 0 40 BEAB Cc1ccc(NC(=O)COc2cc(C)on2)cc1 13018811 YOGFXWSTTMVZHQ-UHFFFAOYSA-N 246.266 2.309 0 40 BEAB O=C([C@H]1OCCc2ccccc21)N1CCCCC1 16857418 KQXOERSNNFSOLI-AWEZNQCLSA-N 245.322 2.313 0 40 BEAB O=C(NCCc1ccccc1F)c1ccncc1 18826169 LVGRWFHCMPFYPO-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 19874700 JYAZWZSSQVPWDK-UHFFFAOYSA-N 230.311 2.348 0 40 BEAB COc1ccc(S[C@H](C)C(=O)N(C)C)cc1 20112510 CUJWHTHCNIZHIJ-SECBINFHSA-N 239.340 2.264 0 40 BEAB Cc1cc(C(=O)O)c2cnn(CC(C)C)c2n1 20314177 PVSGVEFUSVYBHC-UHFFFAOYSA-N 233.271 2.094 0 40 BEAB O=C(CCc1ccsc1)Nc1nncs1 21214515 RFNHPFIQQDFMBK-UHFFFAOYSA-N 239.325 2.171 0 40 BEAB Cc1occc1C(=O)NCc1ccc(C)n1C 23575370 CLXYJIGTKVVATC-UHFFFAOYSA-N 232.283 2.165 0 40 BEAB O=C(CNC1=NCCCCC1)c1ccccc1 26506779 UUVGFUQIWGXIMX-UHFFFAOYSA-N 230.311 2.431 0 40 BEAB CC(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1 31549769 CDEYEUOEVUUAPO-UHFFFAOYSA-N 247.273 2.150 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(C)=O)c1 32013589 MOYSPIFFPCNUDW-GHMZBOCLSA-N 220.268 2.396 0 40 BEAB O=C(O)[C@@H]1CCCC[C@]1(O)c1ccccc1 34407915 VCZPUGSOJXZKIP-AAEUAGOBSA-N 220.268 2.149 0 40 BEAB O=C(O)[C@@H]1CS[C@@H](c2ccc(Cl)s2)N1 36906844 IKBXTCUEVOKTDZ-FFWSUHOLSA-N 249.744 2.190 0 40 BEAB in-vitro CC[C@@H](O)Cc1ccc(OC)c(OC)c1 37658245 MFEONCBASHYJNT-SNVBAGLBSA-N 210.273 2.017 0 40 BEAB Cc1cc(-c2noc([C@H](C)N)n2)ccc1F 37734550 ISRCMEDVZCVWKO-ZETCQYMHSA-N 221.235 2.204 0 40 BEAB in-vitro Clc1cc(OCC[C@@H]2CCCCN2)ncn1 42774099 RCAVWJYZDOKXGK-VIFPVBQESA-N 241.722 2.041 0 40 BEAB O=C(O)C[C@H]1COc2ccc(Cl)cc2C1=O 45921832 OLUUTPGWSBFJNQ-LURJTMIESA-N 240.642 2.006 0 40 BEAB CNC[C@@H](OC(C)C)c1ccccc1OC 50483696 NIGQRCNLDIYZPL-CYBMUJFWSA-N 223.316 2.381 0 40 BEAB Cc1cccc(C[C@H](C(=O)O)N2CCCC2)c1C 57536425 UPXAGRMPUYQQIH-CQSZACIVSA-N 247.338 2.395 0 40 BEAB OCCc1c[nH]c2c(Br)cccc12 60246384 DRKJEMJEVFDISC-UHFFFAOYSA-N 240.100 2.465 0 40 BEAB Cc1ccccc1[C@H]1NC(=O)c2cccnc2N1 65606876 CLDKDMSNTHNRHP-CYBMUJFWSA-N 239.278 2.244 0 40 BEAB C[C@H](NCc1ccncc1)[C@@H](C)n1cccn1 69372729 CSIALOJBZURQKV-NWDGAFQWSA-N 230.315 2.017 0 40 BEAB NC[C@H]1CCCCN1CCc1ccsc1 69764951 QTAZYVFVJVAXCV-GFCCVEGCSA-N 224.373 2.104 0 40 BEAB CCCC(=O)NC1CCN(C(C)(C)C)CC1 70262989 ZQPWQVORLHAGGT-UHFFFAOYSA-N 226.364 2.166 0 40 BEAB C[C@@H](C(=O)N(C1CCCC1)C1CC1)n1ccnc1 71886419 UVLFBGJGAHSWNT-NSHDSACASA-N 247.342 2.378 0 40 BEAB Cc1nc(CN2CCC(C(F)(F)F)CC2)no1 75969314 YYQIZWBZPFGQOU-UHFFFAOYSA-N 249.236 2.152 0 40 BEAB CC(C)(C)C(=O)NCC[C@@H](O)c1cccs1 77113095 CYJFSXBCWJRYAK-SECBINFHSA-N 241.356 2.334 0 40 BEAB COC(=O)c1cccc2cnc(C)cc12 82769772 YBVZAXUFVAFLFF-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB CCC[C@@](C)(CO)NCc1scnc1C 83469621 JQVLFRXSFKECPW-NSHDSACASA-N 228.361 2.092 0 40 BEAB NCC(=O)c1c(Cl)cccc1Cl 83553815 UKWYMZRPDVWPQO-UHFFFAOYSA-N 204.056 2.135 0 40 BEAB COC[C@@H](Oc1ccc(Cl)cc1C)C(=O)O 84556602 KWSBLWJEYJZDMO-SNVBAGLBSA-N 244.674 2.127 0 40 BEAB CC(C)(O)c1c(Cl)cccc1C(=O)O 96171682 JPFNUCKTIDHJNK-UHFFFAOYSA-N 214.648 2.266 0 40 BEAB COC(=O)Cc1ccc(O)c(C(C)(C)C)c1 96298952 PVPVBGMNWKNMMX-UHFFFAOYSA-N 222.284 2.405 0 40 BEAB O=C(O)c1cc2c(nc1Br)CCC2 96987732 WDJPNWHCPKVXQA-UHFFFAOYSA-N 242.072 2.031 0 40 BEAB CCOC(CN1CCSC(C)(C)C1)OCC 97161659 XRFVZFXXUFBIAL-UHFFFAOYSA-N 247.404 2.213 0 40 BEAB CC(C)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100625248 ZUYPESQMYNAILG-SOUVJXGZSA-N 234.387 2.225 0 40 BEAB CN1CCC[C@H](CN(C)Cc2ccccc2)C1 104094818 OUOCECDKBRCIDM-HNNXBMFYSA-N 232.371 2.460 0 40 BEAB CC[C@H](C)COC(=O)CN(C)[C@H]1CCSC1 108151054 YFJHOBSOVNLHLM-QWRGUYRKSA-N 245.388 2.013 0 40 BEAB COC(=O)Cc1cc(C)cc(Br)c1 140322696 VLCDRPDNINRLNQ-UHFFFAOYSA-N 243.100 2.473 0 40 BEAB COCCCC[S@@](=O)c1ccoc1C 189645352 GCTZRLVNFHXXKN-CQSZACIVSA-N 216.302 2.122 0 40 BEAB CC(=O)c1ccc([C@H]2CCNC(=O)C2)cc1F 199776620 LKWNJUZJVARHAO-JTQLQIEISA-N 235.258 2.022 0 40 BEAB CCCCOCc1ccnn1CC(F)F 408717118 VXYJVRUVFQMBAR-UHFFFAOYSA-N 218.247 2.465 0 40 BEAB FC1(F)CC(COc2ccc3nccn3n2)C1 585651046 JMKKJDTXBXYIJJ-UHFFFAOYSA-N 239.225 2.153 0 40 BEAB CC(C)(COC(=O)n1ccnc1)C(F)(F)F 1083812501 LBSBRMDJLMZKSO-UHFFFAOYSA-N 236.193 2.456 0 40 BEAB Cc1nsc(O[C@@H]2CCC[C@H]2F)n1 1776008923 BYNWIAITONEEHZ-RNFRBKRXSA-N 202.254 2.116 0 40 BEAB Cc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(C)o1 999811 LPMCJOCJENMJSX-IUCAKERBSA-N 237.299 2.146 0 40 BEAB CCN(CC)CCc1c(C)[nH]c(C=O)c1C 3670012 IOOVBPORPKMXNC-UHFFFAOYSA-N 222.332 2.328 0 40 BEAB NC(=S)c1ccc(NC(=O)c2ccco2)cc1 4207286 RXMLGSFGWMVUMC-UHFFFAOYSA-N 246.291 2.166 0 40 BEAB CC(=O)N[C@H](C(=O)Nc1cccc(C)c1)C(C)C 5704010 GSLXXUCVJCSWIZ-ZDUSSCGKSA-N 248.326 2.094 0 40 BEAB Cc1ccc(NC(=O)CN2CCCCC2)c(N)c1 8703609 POIWRTITYZXTQU-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB CCOc1ccccc1O[C@H](CC)C(=O)O 8729619 GFOGXNDKJDRDAD-SECBINFHSA-N 224.256 2.327 0 40 BEAB CC(C)N1CCC(CNC(=O)C(C)(C)C)CC1 12442754 LCDIUSYCJUMBKU-UHFFFAOYSA-N 240.391 2.269 0 40 BEAB Cc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1 13957350 XVWPHZIYGPVPFQ-UHFFFAOYSA-N 248.307 2.037 0 40 BEAB Fc1ccc(O[C@@H]2CCCNC2)c(F)c1 14631814 RUQZKIRDTVNUJB-SECBINFHSA-N 213.227 2.096 0 40 BEAB COCCN[C@@H](C)CCc1ccccc1 19881266 RDQVEHGTKYJLBS-LBPRGKRZSA-N 207.317 2.244 0 40 BEAB Cc1cc(C)n(-c2ccccc2C=O)n1 20079215 YIEGYLBFGSWHFQ-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB Cn1ccc(NC(=O)c2ccc(Cl)s2)n1 22475686 KCBWRCJAOOLIMK-UHFFFAOYSA-N 241.703 2.387 0 40 BEAB CCn1ccc(NC(=O)CC(C)(C)C)n1 27930060 HEICBFVIFPLDTE-UHFFFAOYSA-N 209.293 2.278 0 40 BEAB Cc1c(C(=O)O)sc2[nH]cnc(=S)c12 31933498 OBXBUTPDWFATHD-UHFFFAOYSA-N 226.282 2.361 0 40 BEAB in-vitro CC(C)CCCN[C@@H](C(N)=O)c1ccccc1 32808973 RQEJDCRBRNRNGL-CYBMUJFWSA-N 234.343 2.239 0 40 BEAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(O)c1 33028969 ROFVSPPLKSBBHZ-IUCAKERBSA-N 205.257 2.295 0 40 BEAB O=C(c1ccc2ccccc2c1)N1CC[C@@H](O)C1 34458204 JMHCOFQIZVBMIV-CQSZACIVSA-N 241.290 2.047 0 40 BEAB CN(Cc1ccccc1)C[C@H](O)C(F)(F)F 36379999 IVHKQRVWSJYCTF-JTQLQIEISA-N 233.233 2.042 0 40 BEAB CC[C@@H](C)n1nc(-c2ccco2)ccc1=O 38790730 ITMPFQOTJJZQMK-SECBINFHSA-N 218.256 2.474 0 40 BEAB CC(C)CCC(=O)NCc1ccnc(N(C)C)c1 40512552 KWYSSWNDNSCMSD-UHFFFAOYSA-N 249.358 2.200 0 40 BEAB Cc1ccc(NC(=O)N[C@@H](C)CO)c(Cl)c1 40525659 HRIIATCDUWWTOT-QMMMGPOBSA-N 242.706 2.151 0 40 BEAB COC(=O)c1cc(N)ccc1N1CCC(C)CC1 41079687 OYZZMYFJXRFHCZ-UHFFFAOYSA-N 248.326 2.292 0 40 BEAB CCCN(CCC1CCNCC1)CC1CC1 42491178 OATQFTYTIGMRDN-UHFFFAOYSA-N 224.392 2.498 0 40 BEAB CN(CC1CCOCC1)c1ccccc1CN 42783819 SYSRONORTHHTOC-UHFFFAOYSA-N 234.343 2.008 0 40 BEAB CCNC(=O)CCc1ccc(Cl)cc1 53664625 QUBMJLSIOMGBSP-UHFFFAOYSA-N 211.692 2.409 0 40 BEAB Nc1nccc(-c2ccccc2)c1C(=O)O 60031868 HEDHGRROKDRUNL-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB COC(=O)c1ccc(-c2ccc(O)cn2)cc1F 65356039 AYUIYMPIHUEEKV-UHFFFAOYSA-N 247.225 2.380 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cncc(C)c1 72211375 HOWRTJULYPOHOO-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB Cc1nc(N2CCCCC2)ccc1C=O 72224533 SPNGPJJFFVSAME-UHFFFAOYSA-N 204.273 2.193 0 40 BEAB CN1CCCC[C@H]1c1ccc(-n2ccnc2)nc1 72386560 RGXXBCYZOKBQQT-ZDUSSCGKSA-N 242.326 2.424 0 40 BEAB CC(=O)[C@H]1C[C@@H](c2cccc(F)c2)OC1=O 77333133 CFOCFKDZKICAPN-MNOVXSKESA-N 222.215 2.019 0 40 BEAB CC(C)[C@H](C)N(C(=O)Nc1cn[nH]c1)C1CC1 78991749 RHSIJSFERFTTOA-VIFPVBQESA-N 236.319 2.451 0 40 BEAB CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1 79437573 UXCMOYRSKKQIHL-UHFFFAOYSA-N 242.363 2.384 0 40 BEAB NNCc1ccc(Oc2ccccc2)cc1 82073897 DTXHVZRQKYCONL-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB O=C(O)[C@H]1CCc2nc(C3CC3)sc2C1 84422188 KGUNURZYWZLCCK-ZETCQYMHSA-N 223.297 2.210 0 40 BEAB C[C@H](c1ncc(C(C)(C)C)o1)S(C)(=O)=O 85226066 FYYJWDWVIMJHJS-SSDOTTSWSA-N 231.317 2.078 0 40 BEAB Cc1ccc([C@H](C)NC(=O)c2cc[nH]n2)cc1F 88235035 SYOPHKSLRHRPMB-VIFPVBQESA-N 247.273 2.348 0 40 BEAB CC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C 89336445 ZIVSWQWCHSQXEC-STQMWFEESA-N 227.348 2.496 0 40 BEAB O=C(c1ccccn1)N1C[C@@H]2CC=CC[C@H]2C1 89878916 BMLDGTMWPQYVEM-RYUDHWBXSA-N 228.295 2.120 0 40 BEAB NC1(c2ccc(C(F)(F)F)cn2)CC1 91691820 YYCVEHOBBYFBIN-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB CC1(C)OC(=O)c2c(ccc(Cl)c2O)O1 95836909 UQWQSRKHSRBXDQ-UHFFFAOYSA-N 228.631 2.331 0 40 BEAB CC(=O)Nc1cc(Br)cnc1C 95930028 RVTYXFKKBCBRPZ-UHFFFAOYSA-N 229.077 2.111 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@H](CO)C(C)C 95994467 JVOOQDFIEFYGPZ-GFCCVEGCSA-N 235.327 2.050 0 40 BEAB O=C(Nc1ccccc1)N1Cc2cncnc2C1 96366500 ZJMJCGQBIGLQHF-UHFFFAOYSA-N 240.266 2.024 0 40 BEAB CNC(=O)CSC[C@H](C)c1ccccc1 96496220 ZZWSFJUIYYTLEG-JTQLQIEISA-N 223.341 2.269 0 40 BEAB CC(C)CC1(C(=O)N2CCC(N)CC2)CCC1 97019365 XTRFXVULYSECRI-UHFFFAOYSA-N 238.375 2.153 0 40 BEAB CC[C@H](C)[C@@H](CO)NC[C@H]1CC=CCC1 97020836 NSRYYTIJSMXDDB-RWMBFGLXSA-N 211.349 2.339 0 40 BEAB CCc1cnccc1C(=O)OC[C@]1(C)CCCO1 97374830 IIGNKHCYBHDIDZ-AWEZNQCLSA-N 249.310 2.370 0 40 BEAB FC(F)(F)Cn1ccnc1CNc1ccon1 97379563 FOTXVAXLUXSQDJ-UHFFFAOYSA-N 246.192 2.046 0 40 BEAB CNC(=O)c1ccc(-c2ccccc2)n1C 98013511 HYQREEIUACGNCU-UHFFFAOYSA-N 214.268 2.052 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@@H](C(C)C)CC[C@H]1C 103210864 QEDHJKYYYBPRDH-JLLWLGSASA-N 226.316 2.437 0 40 BEAB CC(C)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 196369376 ZUYPESQMYNAILG-RRFJBIMHSA-N 234.387 2.225 0 40 BEAB CCOc1ccc(C(=O)c2ccncc2N)cc1 199712109 LSAFCYNZOOMUIT-UHFFFAOYSA-N 242.278 2.294 0 40 BEAB CCNC(=O)c1cc(N)ccc1N[C@H](C)CC 225454021 LAAJMGKOJNOITF-SECBINFHSA-N 235.331 2.229 0 40 BEAB COc1ccc([C@H](O)c2ccccc2)cc1N 226292534 UYRFMGXBVGZBBF-CQSZACIVSA-N 229.279 2.359 0 40 BEAB CCCn1nc(C)cc1CNCCCOCC 256052208 MIUZGMIZUSKPJQ-UHFFFAOYSA-N 239.363 2.118 0 40 BEAB O=C(O)c1nn(CCC(F)(F)F)cc1Cl 408715645 CDOLNTSTECBLMY-UHFFFAOYSA-N 242.584 2.187 0 40 BEAB OC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 536952014 ANZAULJOYFYKLZ-WCBMZHEXSA-N 232.201 2.161 0 40 BEAB Cc1cc(C)c2c(c1)CC[C@@H]2NC[C@@H](C)O 655680510 NJDUAEICUSZFQR-YPMHNXCESA-N 219.328 2.261 0 40 BEAB OC1CCN(c2ccc(C(F)(F)F)nc2)CC1 891494221 ABNUSQWNLZLNJQ-UHFFFAOYSA-N 246.232 2.062 0 40 BEAB COCc1cc(-c2ccc(=O)n(C)c2)cs1 904814137 SHNFWEKZNCLCFK-UHFFFAOYSA-N 235.308 2.260 0 40 BEAB C[C@@H](F)COB(OC[C@@H](C)F)OC[C@@H](C)F 1083813043 YBWOBBPSKNMYOD-IWSPIJDZSA-N 242.046 2.095 0 40 BEAB Cc1ncc(NC(=O)c2ncnc(C)c2C)s1 1888843987 KPPLRGYDQSZWHJ-UHFFFAOYSA-N 248.311 2.111 0 40 BEAB CCOc1ccccc1OC[C@H](C)CNC 347613 VECVBXNLLYNSTL-LLVKDONJSA-N 223.316 2.320 0 40 BEAB OCCCC[C@@H]1CO[C@H](Cc2ccccc2)O1 1677468 HBJMOXNNASYHFM-KGLIPLIRSA-N 236.311 2.133 0 40 BEAB COCCOc1ccc(O)c(Br)c1 2527151 DAQDBWKQGYANFW-UHFFFAOYSA-N 247.088 2.180 0 40 BEAB O=C(c1ccc(F)cc1)c1ccc(O)cc1O 2574368 ZAPDKBIMAJSFOM-UHFFFAOYSA-N 232.210 2.468 0 40 BEAB COc1ccc(/C=C2/N=C3CCCN3C2=O)cc1 3394398 AGFPJOAOTBMRDC-FMIVXFBMSA-N 242.278 2.071 0 40 BEAB CCCCSc1nnc(NC(C)=O)s1 4670961 AEMJHXBLCSKFGY-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB CCN1C(=O)S/C(=C/c2cccnc2)C1=O 6325835 PSAOODPODZLTHD-RMKNXTFCSA-N 234.280 2.138 0 40 BEAB CCCSc1ncc(Cl)c(C(=O)O)n1 7262860 ASIUSORZKWXQHW-UHFFFAOYSA-N 232.692 2.330 0 40 BEAB CC[C@H](C)c1ccc(NC(=O)CCN)cc1 8732969 JQTJZRMPOKVXNA-JTQLQIEISA-N 220.316 2.487 0 40 BEAB C[C@@H](Sc1ccccc1)C(=O)N1CCC1 12914195 QTMPPWMLGUPUJP-SNVBAGLBSA-N 221.325 2.400 0 40 BEAB O=C(O)CCC(=O)n1ccc2ccccc21 13531118 MVWDZPQGNZUCGB-UHFFFAOYSA-N 217.224 2.146 0 40 BEAB CCc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 14240829 UGCHXFBKCHAKGG-UHFFFAOYSA-N 242.278 2.190 0 40 BEAB CC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1 15022048 QTRLCDJCCBXKQC-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB C[C@@](N)(C(=O)O)c1ccc(Cl)cc1Cl 19517906 KPFULSXQLOVBSQ-VIFPVBQESA-N 234.082 2.252 0 40 BEAB CC[C@H](c1ccc(F)cc1)N1CCNCC1 20264353 PBWGKTIIMAHBGI-CYBMUJFWSA-N 222.307 2.182 0 40 BEAB in-vitro CCc1noc(-c2ccnc(Cl)c2)n1 22120461 CUDXONLENQOMFY-UHFFFAOYSA-N 209.636 2.347 0 40 BEAB Cn1cnc(-c2ccc(Cl)cc2)cc1=O 22605031 WOJYFDKDPMUXEB-UHFFFAOYSA-N 220.659 2.101 0 40 BEAB CC(C)c1nnc2sc(C(F)(F)F)nn12 24614215 AWZPGCKLVPYOKU-UHFFFAOYSA-N 236.222 2.328 0 40 BEAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C 24643108 VPBVORKCYARTNH-UHFFFAOYSA-N 234.274 2.246 0 40 BEAB CC(C)(C)NC(=O)c1cc(F)ccc1F 28210742 GBXUNQWHLTWKOY-UHFFFAOYSA-N 213.227 2.493 0 40 BEAB Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)nc1 30514879 JUZMVQJVBWXCSS-UHFFFAOYSA-N 242.282 2.243 0 40 BEAB CC(C)N(Cc1cccc(Cl)c1)C(=O)CN 32090445 GXOJGUAOHASDBQ-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB COc1cc(O)cc(Br)c1OC 32301972 KOUSUSBFSYVBFK-UHFFFAOYSA-N 233.061 2.172 0 40 BEAB Cc1ncccc1Oc1ccc(N)cn1 34502001 VNTXBOJIESFBJS-UHFFFAOYSA-N 201.229 2.160 0 40 BEAB CC[C@@H](C)N(CCC(=O)O)C(=O)OC(C)(C)C 34929461 BGBJMNJGSIVYKJ-SECBINFHSA-N 245.319 2.497 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCC[C@H](C)C1 36128003 KXYNBVINDFDWQW-QWRGUYRKSA-N 213.321 2.060 0 40 BEAB CC1=NN=C(C)C1[C@H](N)c1ccccc1 36624825 HPERHSNHKQWJBY-GFCCVEGCSA-N 201.273 2.153 0 40 BEAB CN(Cc1ccsc1)C(=O)c1ccccn1 40464693 JHXHGACSFFZIHT-UHFFFAOYSA-N 232.308 2.415 0 40 BEAB CCO[C@@H](C)C(=O)N1CCC[C@@H](CC)C1 40534004 KQPNHULJUJXFBJ-WDEREUQCSA-N 213.321 2.060 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1c1ncnc2[nH]ncc12 41120982 OAYJNOHVKAHTJM-RKDXNWHRSA-N 231.303 2.120 0 40 BEAB Cc1ccc(CN(CC(=O)O)C2CC2)cc1C 42325692 YEBIGLDDRGQWHE-UHFFFAOYSA-N 233.311 2.352 0 40 BEAB COc1ccccc1OCC[C@@H]1CCCNC1 42772389 DENCIVHMBLBKIL-LBPRGKRZSA-N 235.327 2.464 0 40 BEAB C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H](O)CCC[C@@]12C 44021061 FUBPRYXDIHQLGH-FHUSYTEZSA-N 212.333 2.192 0 40 BEAB NCCCc1cccc(OC(F)F)c1 44279809 CUIRZTARBACCOV-UHFFFAOYSA-N 201.216 2.179 0 40 BEAB NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 47843827 STTNIAOMTGSCFK-QMMMGPOBSA-N 239.624 2.049 0 40 BEAB in-vitro O=C(O)CC[C@@H]1CCCCN1C(=O)CC1CC1 50921775 MEDHYEVUYYRZIR-NSHDSACASA-N 239.315 2.032 0 40 BEAB CN[C@H]1CCCN(Cc2cccc(F)c2)C1 53201451 FDQRRBLFTPFTGQ-ZDUSSCGKSA-N 222.307 2.010 0 40 BEAB CCOc1ccc(CCN2CCC[C@@H](N)C2)cc1 57956538 KCHCSZLLVFRWAA-CQSZACIVSA-N 248.370 2.051 0 40 BEAB CCC(=O)Nc1ccc(NC(=O)N(C)C)cc1C 58065409 LKJRBZWEDHCGRI-UHFFFAOYSA-N 249.314 2.437 0 40 BEAB O=C(Nc1ccc2c(c1)CNCC2)c1ccoc1 69052582 TXFUGWCEDWKVGF-UHFFFAOYSA-N 242.278 2.178 0 40 BEAB CNc1ccc(OC)c(Br)c1 71519552 BZYHQRMBFOGPCJ-UHFFFAOYSA-N 216.078 2.499 0 40 BEAB CC(C)(C)[C@H](C(=O)O)c1ccc(N)cc1 71606971 OSZOLZPMHFHZQD-JTQLQIEISA-N 207.273 2.483 0 40 BEAB CSCc1nnc(S[C@H](C)C(C)=O)o1 71843829 YXXCGTDVAWTGNI-ZCFIWIBFSA-N 232.330 2.002 0 40 BEAB CC[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208940 SANULBZYDGLPCY-UWVGGRQHSA-N 231.336 2.307 0 40 BEAB Cc1cc([C@H]2CCCN2CC(C)C)c[nH]c1=O 72217962 BHGSUFHXYHMOHZ-CYBMUJFWSA-N 234.343 2.476 0 40 BEAB CCOC(=O)COc1ccc(Cl)cc1F 75880760 WNCDGBPCXGMWLM-UHFFFAOYSA-N 232.638 2.421 0 40 BEAB C/C=C/C=C/C(=O)Nc1cc(CCC)[nH]n1 78914619 QYXFOMJWWMPMRA-QFXXITGJSA-N 219.288 2.433 0 40 BEAB CCOc1cccc(COC(=O)c2ccoc2)n1 84810963 LWIBSEZAQXESHT-UHFFFAOYSA-N 247.250 2.430 0 40 BEAB C[C@@H](Cc1ccoc1)NC(=O)C(C)(C)C 84827289 NLNAPPPLXBDJQE-VIFPVBQESA-N 209.289 2.373 0 40 BEAB C[C@H]1CC[C@@H](C)N(c2cc(Cl)nc(N)n2)C1 85696306 KYPFPKVBRCSIMQ-JGVFFNPUSA-N 240.738 2.337 0 40 BEAB Cc1cc(Cn2ncc(Cl)c2C)no1 89605066 LZVTVZAWBKMEGC-UHFFFAOYSA-N 211.652 2.190 0 40 BEAB O=c1ccnc(/C=C/c2ccc(F)cc2F)[nH]1 89769554 VINARUFOTPEPQA-DUXPYHPUSA-N 234.205 2.219 0 40 BEAB Fc1cccc(Cl)c1COC[C@H]1CO1 95096182 BBGALFCNCLGYRI-ZETCQYMHSA-N 216.639 2.395 0 40 BEAB COC(=O)CC1(NCCC(C)C)CCC1 95995970 HAIIWPHIQBYENO-UHFFFAOYSA-N 213.321 2.108 0 40 BEAB CSc1ccc(OCCn2cncn2)cc1 96428918 ZMQXPXORJXIGMQ-UHFFFAOYSA-N 235.312 2.079 0 40 BEAB c1ccc([C@H]2OCC[C@@H]2NCc2cc[nH]n2)cc1 96447526 AAIIWHXSXTVDNQ-UONOGXRCSA-N 243.310 2.030 0 40 BEAB CCc1noc([C@@H](C)Nc2cnn(CC)c2)n1 97139940 BDOIKVSINVPELC-MRVPVSSYSA-N 235.291 2.022 0 40 BEAB S=c1nc2nc3ccccc3c-2[nH][nH]1 100535948 ZALSCYONNRBWQT-UHFFFAOYSA-N 202.242 2.120 0 40 BEAB CCOC[C@H](C)OC(=O)c1cccc(F)c1 190787674 PEENUBPVOIGVFX-VIFPVBQESA-N 226.247 2.408 0 40 BEAB c1ccc(-c2cnc(Cn3ccnn3)s2)cc1 195568139 UXEWIAPWYDKVIP-UHFFFAOYSA-N 242.307 2.450 0 40 BEAB C[C@H]1CNCC[C@@]1(O)Cc1ccccc1Cl 229558846 XNNGSDYBPFDYAJ-GXFFZTMASA-N 239.746 2.243 0 40 BEAB C[C@H](N)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 242688571 VTBIATVXDXCNEC-BIMULSAOSA-N 204.317 2.203 0 40 BEAB Cc1nc([C@H]2CCN(C)C2)c2sccn12 257327374 XBBYBNKRGXZTQM-VIFPVBQESA-N 221.329 2.123 0 40 BEAB COC(=O)c1ccc2cnc(C(F)(F)F)n2c1 260395826 OOXOSMHUNGWKLQ-UHFFFAOYSA-N 244.172 2.140 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](O)CC[C@H]21 1083104372 PDQMRWNTTPSWKZ-AXFHLTTASA-N 241.331 2.157 0 40 BEAB O=C(NCc1ccc(F)cc1)c1ccc[nH]1 1404025 ISDNXPQCMNXNMI-UHFFFAOYSA-N 218.231 2.084 0 40 BEAB O=C1CC[C@H]2c3ccccc3C(=O)[C@H]2C1 1644708 YPLQPADQPYWZNG-JQWIXIFHSA-N 200.237 2.336 0 40 BEAB COc1cc(/C=C/C(=O)O)cc(Cl)c1O 1747223 JPBRRRVTXWVBIF-NSCUHMNNSA-N 228.631 2.152 0 40 BEAB CCCCOC(=O)Nc1nnc(CC)s1 1770703 XLEVBHFFCGVREH-UHFFFAOYSA-N 229.305 2.449 0 40 BEAB COc1ccc2c(c1)NC(=O)[C@]2(C)SC 1869955 SFVZIVXOLLXLNA-LLVKDONJSA-N 223.297 2.226 0 40 BEAB CCOC(=O)CCC(=O)c1ccc(F)cc1F 2378967 BETJGRNOWLCZIM-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CCOc1c(/C=C/C(=O)O)cccc1OC 2385220 FXNNIQRXQQHHLV-BQYQJAHWSA-N 222.240 2.192 0 40 BEAB COCCCNC(=O)c1cc2ccccc2o1 3420049 GARHXHFHJXVEGR-UHFFFAOYSA-N 233.267 2.199 0 40 BEAB Oc1cccc(O)c1Cc1c(O)cccc1O 3843496 FQIQHGPPOGJBOP-UHFFFAOYSA-N 232.235 2.100 0 40 BEAB biogenic CC1(C)CN(Cc2ccccc2)C[C@@H]1C(=O)O 4203355 YLHKSZFLQXTQKA-GFCCVEGCSA-N 233.311 2.229 0 40 BEAB O=C1Nc2ccccc2C12Nc1ccccc1N2 5177232 WOQKEPRJUBDJAS-UHFFFAOYSA-N 237.262 2.329 0 40 BEAB Cc1cc(C)n(C(=S)NCc2ccccc2)n1 5697914 NEKKISRSQLLIID-UHFFFAOYSA-N 245.351 2.423 0 40 BEAB CCOC(=O)NC(=S)Nc1ccsc1 5828314 VRRVLBAVVXOTIO-UHFFFAOYSA-N 230.314 2.191 0 40 BEAB Cc1nn(CC(C)C)c(Cl)c1C=O 6652635 UOVSFOKWXPOGJC-UHFFFAOYSA-N 200.669 2.313 0 40 BEAB in-vitro Cc1ccc(C)c(NC(=O)c2cnn(C)c2)c1 7068982 HGPDWMITKMRWSR-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB COC(=O)CC(=O)CSc1ccc(C)cc1 15424429 IQKKNBXYQSAUQC-UHFFFAOYSA-N 238.308 2.219 0 40 BEAB Cc1ccc(O[C@H](C)C(=O)Nc2ccon2)cc1 16973167 GNLROFZFUYMNRI-SNVBAGLBSA-N 246.266 2.389 0 40 BEAB CC(=O)CC(=O)Nc1ccc(C)c(F)c1 19410256 IVTGLADPDUNMET-UHFFFAOYSA-N 209.220 2.052 0 40 BEAB in-vitro Cn1ccnc1SCc1cccc(C(=O)O)c1 19485330 VHYNJMKIKLDOAF-UHFFFAOYSA-N 248.307 2.411 0 40 BEAB in-vitro CCC[C@@H](C(=O)O)N1C[C@H](C)C[C@@H](C)C1 22122663 WEUHQCHOHUHRTR-MXWKQRLJSA-N 213.321 2.218 0 40 BEAB FC(F)(F)c1ccccc1CC1CNC1 22159012 XSKYCFKNAZOGIJ-UHFFFAOYSA-N 215.218 2.467 0 40 BEAB in-vitro COc1cccc(C2(CN)CCCC2)c1 33487085 BGSIHODNNABVJG-UHFFFAOYSA-N 205.301 2.466 0 40 BEAB in-vitro CCOC(=O)[C@H](C)Nc1ccc(C)cc1 36437338 HCJFOQZMXYHOSU-JTQLQIEISA-N 207.273 2.359 0 40 BEAB OC[C@@H](NC1CCCC1)c1ccccc1 38122857 QMCURKWAYUNBAV-CYBMUJFWSA-N 205.301 2.252 0 40 BEAB COc1ccc([C@@]2(C)NC(=O)[C@H](C)S2)cc1 39377189 XTAYNBMLZNSPDT-UFBFGSQYSA-N 237.324 2.119 0 40 BEAB O=C(C[C@H]1C=CCC1)NCc1ccccn1 40465305 KHPZWSBCFFODIB-NSHDSACASA-N 216.284 2.054 0 40 BEAB C[C@H]1CCC[C@@H](C)N1c1ncnc2[nH]ncc12 41120977 OAYJNOHVKAHTJM-DTORHVGOSA-N 231.303 2.120 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2cc(F)ccc12 42898799 BVGFMLFFJGZOBL-UHFFFAOYSA-N 235.214 2.053 0 40 BEAB C1=C2CCCN[C@@H]2[C@H]2C[C@@H]1[C@@H]1CCCCN1C2 44075104 SKOLRLSBMUGVOY-QPSCCSFWSA-N 232.371 2.169 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)Nc1cccnc1 48448093 KUWVSACWAMUYNT-SNVBAGLBSA-N 245.282 2.427 0 40 BEAB Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1 54187176 ZZLASVXJBCPLBM-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB Cc1nc2ccccc2nc1NCCCN(C)C 55373254 LPPZBFPRRMYISE-UHFFFAOYSA-N 244.342 2.302 0 40 BEAB CC(C)OC(=O)[C@H](C)NC(=O)C1CCCCC1 60598005 LYGDYPMGPREPQR-JTQLQIEISA-N 241.331 2.023 0 40 BEAB Cc1cccn(CCOc2ccccc2)c1=O 69741070 QSSYJBRRAFYVQV-UHFFFAOYSA-N 229.279 2.236 0 40 BEAB CCCn1cc(CNCc2ccco2)cn1 73739572 WIYMUTIYNFCZRG-UHFFFAOYSA-N 219.288 2.176 0 40 BEAB Cc1ccn2cc(Br)nc2c1 79047826 OTIXMZGEWSLSEJ-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB COc1cccc(CNc2ccccn2)n1 83348234 NJFGWSWSODHBKC-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB C[C@H]1CN(Cc2cccc(O)c2)C[C@H](C)O1 84827841 PHPCNJRMDITAOG-QWRGUYRKSA-N 221.300 2.001 0 40 BEAB O=c1c2c(cnn1C1CCCCC1)CCCN2 95098016 BZIKHBTYMWDDBX-UHFFFAOYSA-N 233.315 2.107 0 40 BEAB C[C@H]1CN(C(=O)C2CC=CC2)C[C@@H](C)S1 95403636 RWPJHEBNVIFJPX-AOOOYVTPSA-N 225.357 2.305 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nc1 95448442 ZTECGFYZKXSCBM-JQWIXIFHSA-N 246.310 2.334 0 40 BEAB CCCOc1cc(C(=O)O)cc(F)c1F 95732439 UZDHWTYWTZESNW-UHFFFAOYSA-N 216.183 2.452 0 40 BEAB COC(=O)c1ncccc1SC(F)(F)F 96308571 NZWGIICVWNAURG-UHFFFAOYSA-N 237.202 2.480 0 40 BEAB CCOCCCC(=O)NCCc1ccc(C)cc1 96407584 RQEQBWSLVTUYFI-UHFFFAOYSA-N 249.354 2.470 0 40 BEAB CO[C@H](C)CCOC(=O)c1ccc(Cl)cn1 96442874 ZQJNYPUOAHHGLV-MRVPVSSYSA-N 243.690 2.317 0 40 BEAB CCCc1ccc(C(=O)NCCCC(=O)O)cc1 98128505 XUILLAJDNCJWIA-UHFFFAOYSA-N 249.310 2.234 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@]1(O)C[C@@H]2CC[C@@H]1C2 101154097 HWEQFXDONYYPNJ-PBOSXPJTSA-N 246.306 2.406 0 40 BEAB CCCC(=O)N1CCCC[C@H]1c1noc(C)n1 205699248 ACTNWBIFQUBOHB-JTQLQIEISA-N 237.303 2.232 0 40 BEAB CC(C)Oc1nn(C)c2cc(C(=O)O)ccc12 225772049 QVEQCNVDNPFJKY-UHFFFAOYSA-N 234.255 2.059 0 40 BEAB COc1cccc(CNC(=O)C(C)(C)C)c1C=O 261828188 FCKNXLLBJQVCMW-UHFFFAOYSA-N 249.310 2.170 0 40 BEAB Cc1ccnc(NC(=O)c2ncc(C)cc2F)c1 1889104448 ZYSCCHKGXQOWJL-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB FC(F)(F)/C=C(/N1CC1)C(F)(F)F 1667846 QQGRDTNRUFEFME-ONEGZZNKSA-N 205.101 2.311 0 40 BEAB CCCC(=O)[C@@H](CCN(C)C)c1ccccn1 1675591 SOSGINVUTGVQHI-LBPRGKRZSA-N 234.343 2.486 0 40 BEAB C[C@H](Cc1ccc(Cl)cc1)OC(N)=O 1676953 LYBZFTSSSXEHFJ-SSDOTTSWSA-N 213.664 2.366 0 40 BEAB CCOc1ccc(C(C)=O)c(O)c1OCC 1678798 XRHVEAYKYLGKOD-UHFFFAOYSA-N 224.256 2.392 0 40 BEAB O=C(O)C[C@H](Cc1ccccc1Cl)C(=O)O 2046395 FTJBLTIWNBZCRC-QMMMGPOBSA-N 242.658 2.058 0 40 BEAB in-vitro Nc1nc2ccc(OC(F)F)cc2s1 2536946 PUXOOQNLQPZQFB-UHFFFAOYSA-N 216.212 2.480 0 40 BEAB COP(=O)(OC)[C@@](C)(O)c1ccc(F)cc1 2570507 HDHFAHHYMOOBLK-SNVBAGLBSA-N 248.190 2.477 0 40 BEAB CC(C)C(=O)Nc1nnc(-c2cccs2)o1 4330392 KRUAHYBPTPLLKE-UHFFFAOYSA-N 237.284 2.393 0 40 BEAB Cc1c(-c2nc3ccccc3[nH]2)cnn1C 6412604 AADZJKRQQGSLMB-UHFFFAOYSA-N 212.256 2.272 0 40 BEAB COc1ccc(CNC(=O)c2ccccc2)cn1 11004887 ZYAKJYAZWQTLAA-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB COc1ccc([C@@H](N)c2ccccn2)cc1 11737333 YDPKXALAYGLYAZ-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB COc1ccnc(N2CCc3sccc3C2)n1 14141409 PKOMZHCUPUKAIP-UHFFFAOYSA-N 247.323 2.109 0 40 BEAB C[C@H]1CCCN(Cc2cccc(CN)c2)C1 15042369 UKIVFVFEUQUYJF-LBPRGKRZSA-N 218.344 2.377 0 40 BEAB O=C(c1cccs1)N1CCCC[C@H]1CCO 16430496 LCOWRBPTTAOZCG-JTQLQIEISA-N 239.340 2.125 0 40 BEAB CCCCCCSCCOCCO 16638379 RZRAIUMCYHFWCL-UHFFFAOYSA-N 206.351 2.309 0 40 BEAB CCCCCO/C=C\CN1CCOCC1 16891954 DLGWOOVMZICLKI-YHYXMXQVSA-N 213.321 2.039 0 40 BEAB Cc1ccc(CN[C@H]2CN3CCC2CC3)cc1 19946091 OIYGXGBFINQGKQ-HNNXBMFYSA-N 230.355 2.179 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2cc(C)nnc2O)cc1 20198600 CDGVOBHZKISAMX-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB Cc1cc(=O)[nH]n1-c1ccccc1Cl 22116033 UBOPSJSSBVFSCL-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB in-vitro Cc1cc(Br)c2c(c1)C(=O)CO2 35652489 WHRFNPSFAATWGJ-UHFFFAOYSA-N 227.057 2.333 0 40 BEAB in-vitro CC(C)(C)N1CCC(NCc2cccnc2)CC1 37786336 HRMJAUIEAJNOGK-UHFFFAOYSA-N 247.386 2.434 0 40 BEAB CC(C)CNc1ccc(C(=O)O)cc1N 37930165 FETIMEUMDKEHQU-UHFFFAOYSA-N 208.261 2.035 0 40 BEAB Nc1cccc(-c2nc(C=O)cs2)c1 38540380 WUNYYDGWNXLCCC-UHFFFAOYSA-N 204.254 2.205 0 40 BEAB CC(C)(C)OC(=O)NCCCCCCCO 38589470 YJHJMTNYNBJHIZ-UHFFFAOYSA-N 231.336 2.454 0 40 BEAB CSc1ccc(C(=O)O)c2c1OC(F)(F)O2 38591698 MLMQURLBVZTHNC-UHFFFAOYSA-N 248.206 2.428 0 40 BEAB COc1cccc(-c2nc(CN)c(C)o2)c1 39321177 PTXXLSPKRQLIGU-UHFFFAOYSA-N 218.256 2.117 0 40 BEAB Cn1nnnc1SCc1ccc(Cl)s1 39587517 MERYGEHYQMJTRQ-UHFFFAOYSA-N 246.748 2.217 0 40 BEAB Cc1csc(NC(=O)CCOCC(C)C)n1 40093403 RKTFKUUKZZGPLG-UHFFFAOYSA-N 242.344 2.453 0 40 BEAB O=C(NCCc1ccccc1)C1CCC1 40457534 FCFHIPNPVWTZPD-UHFFFAOYSA-N 203.285 2.145 0 40 BEAB CC(C)(C)C1CCC(O)(C(=O)O)CC1 40733712 QFCMVDPOBNXRGN-UHFFFAOYSA-N 200.278 2.038 0 40 BEAB CNC[C@H]1C[C@@H]1c1cc(OC)cc(OC)c1 54588819 LQSNQLIZJGAFQO-ZWNOBZJWSA-N 221.300 2.027 0 40 BEAB CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58342434 XYXPDHMUPJSMRW-NXEZZACHSA-N 209.676 2.190 0 40 BEAB CC(C)(C)CC(C)(C)NCc1cnc(N)nc1 62717387 MVVHUWVPIOATKZ-UHFFFAOYSA-N 236.363 2.363 0 40 BEAB OC1(Cc2cc(F)ccc2F)CCOCC1 63076874 UPSVZYOBOYFYNE-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB Nc1ccn(Cc2cccc(Cl)c2F)n1 67799528 XZJSASQANHNDDM-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB CCOC(=O)c1nc(-c2cccs2)oc1N 82164702 REJVAPPTRPVTHU-UHFFFAOYSA-N 238.268 2.162 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2N)C1 82327525 GQBQSJMZBRDDAB-ZWNOBZJWSA-N 240.347 2.125 0 40 BEAB C[C@@H](N)c1ccc(N2CCCOC2=O)cc1 83684235 BPBBHFHPMGPTKW-SECBINFHSA-N 220.272 2.053 0 40 BEAB in-vitro Cc1cc(C(=O)O[C@@H](C)Cn2cccn2)c(C)o1 83795874 PSJALWTVTDGDHH-JTQLQIEISA-N 248.282 2.338 0 40 BEAB C[C@@H](CN)Cc1ccc(OC(F)F)cc1 89263506 LYUHRGLMCOWUGA-MRVPVSSYSA-N 215.243 2.425 0 40 BEAB Cc1cccc(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1 89688903 PUWURADQWLBNBL-STQMWFEESA-N 242.322 2.428 0 40 BEAB CCOC(=O)CCc1ccc2cn[nH]c2c1 90471153 OTWCIBKWQJPFBC-UHFFFAOYSA-N 218.256 2.059 0 40 BEAB CC(C)[C@H](NC[C@]1(O)CCOC1)c1ccccc1 91405803 BDSOMIHMGCWCSD-LSDHHAIUSA-N 249.354 2.125 0 40 BEAB N[C@@H](c1ccc2c(c1)OCC2)C(F)(F)F 95096676 YPGPNAQISRPUQH-VIFPVBQESA-N 217.190 2.184 0 40 BEAB C[C@@H](SC[C@@H](O)CO)c1ccccc1Cl 95407562 CBFZXGWCUUALQN-BDAKNGLRSA-N 246.759 2.487 0 40 BEAB COC(=O)C(=O)c1cccc(C(C)C)c1 95729546 FQFKBACOONMAHP-UHFFFAOYSA-N 206.241 2.166 0 40 BEAB C[C@@H]1CC[C@@H](NCCO)c2ccccc21 96033279 WISRJPYWVVFHGZ-ZWNOBZJWSA-N 205.301 2.207 0 40 BEAB COC(=O)c1cc(OC(F)F)cs1 96511059 XLGSCPIROYKQDX-UHFFFAOYSA-N 208.185 2.136 0 40 BEAB CCOc1cc(C=O)c(F)c(F)c1C 98210770 NGLCRQJYUYNBTK-UHFFFAOYSA-N 200.184 2.484 0 40 BEAB CC(C)CCN1C(=O)[C@@H](N)c2ccccc21 100474253 HVKCLARFLHOYSW-LBPRGKRZSA-N 218.300 2.079 0 40 BEAB O[C@@H]1c2ccccc2[C@@H](O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104054605 LYMXOOHQUGPBHH-WRGAAFTDSA-N 228.291 2.205 0 40 BEAB Clc1cccc(CN2C[C@@H]3C[C@H](CN3)C2)c1 107529547 IAUZUBKPXYWTIJ-YPMHNXCESA-N 236.746 2.134 0 40 BEAB C[C@H](CO)C(=O)c1ccc(Br)cc1 137238693 UTMGDHAXCSHOQZ-SSDOTTSWSA-N 243.100 2.260 0 40 BEAB Oc1c(F)cccc1OCC(F)(F)F 169795928 KAUUQZUGQUZQIY-UHFFFAOYSA-N 210.126 2.472 0 40 BEAB CCOC(=O)[C@H]1CCC[C@@H]2O[C@@H](C)[C@@H](C)[C@@H]21 225760124 CRSCRJHTAPGPGQ-WTPMCQDGSA-N 226.316 2.389 0 40 BEAB Cc1cnn(C)c1CNc1cn(C(C)C)nc1C 256052821 OUVXMSSDODFFII-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CC[C@H](N)C(=O)N(C)Cc1cc2ccccc2o1 490922693 CWOXBDPYXZRQRR-LBPRGKRZSA-N 246.310 2.129 0 40 BEAB Fc1cccc(-n2cc(C3CC3)nn2)c1F 585362088 GSCXVPOUFICMSM-UHFFFAOYSA-N 221.210 2.423 0 40 BEAB FC(F)(F)c1cc(N2CCCC2)ncn1 697471472 HJJQAXBXBIUOMU-UHFFFAOYSA-N 217.194 2.096 0 40 BEAB c1ccn2cc(COC3CCC3)nc2c1 1222889201 ILLVAUKKMGNMNU-UHFFFAOYSA-N 202.257 2.403 0 40 BEAB Cc1cccc(NC(=O)Nc2nncs2)c1 137615 RLXDXZWQXWPHOT-UHFFFAOYSA-N 234.284 2.491 0 40 BEAB O=C(Cc1ccccc1F)NCc1ccco1 1054498 LVWFCCLWMOYFFY-UHFFFAOYSA-N 233.242 2.278 0 40 BEAB CCOc1ccc(NC(=O)C(F)(F)F)c(O)c1 1713224 PLQKYNCCEJMEKJ-UHFFFAOYSA-N 249.188 2.292 0 40 BEAB Cc1ccc(C(=O)CCC(=O)O)cc1C 1766311 UXIHUHNPOHTZAQ-UHFFFAOYSA-N 206.241 2.351 0 40 BEAB in-vitro Oc1ccc([C@@H](O)c2ccccc2O)cc1 2048191 CFZGVQKYFOXIBL-CYBMUJFWSA-N 216.236 2.180 0 40 BEAB Cc1cccc(OC[C@@H](O)CN2CCCC2)c1C 4305040 UEFLXXJLXWYCDH-AWEZNQCLSA-N 249.354 2.139 0 40 BEAB CNC(=O)c1nc(-c2ccccc2)oc1C 5015665 LRWLLNLOTOGQOV-UHFFFAOYSA-N 216.240 2.010 0 40 BEAB CCOC(=O)[C@H](C)[C@@](C)(O)c1ccccc1 5064361 PZTFVWFFIAHVSA-GXFFZTMASA-N 222.284 2.093 0 40 BEAB COC(=O)c1cccnc1Sc1ccccn1 8717100 HNEDGIRTGXCNSZ-UHFFFAOYSA-N 246.291 2.414 0 40 BEAB CC(C)CCC(=O)Nc1cccc(C(N)=O)c1 10277267 CQILLQYZUCMIJJ-UHFFFAOYSA-N 234.299 2.160 0 40 BEAB CCC[C@H]1NC(=O)N(Cc2ccccc2C)C1=O 10907802 MRAJSWBBQLZMOU-GFCCVEGCSA-N 246.310 2.216 0 40 BEAB CC(C)c1cccc2cc(C(=O)O)c(=O)[nH]c12 11956263 KPHMBPWTQGMBGK-UHFFFAOYSA-N 231.251 2.350 0 40 BEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 12931336 KAIOSRQHKAAEBN-SKDRFNHKSA-N 237.274 2.182 0 40 BEAB O=c1nc(/C=C/c2ccccn2)[nH]c2ccccc12 13123017 QDWRWTXJVHLZQC-CMDGGOBGSA-N 249.273 2.489 0 40 BEAB biogenic c1ccc2c(c1)CCN(C[C@@H]1CCCNC1)C2 19488921 BLKZEYSCTIRNNY-CYBMUJFWSA-N 230.355 2.044 0 40 BEAB CC(=O)NCc1nc(-c2ccccc2)oc1C 21634487 VQEHNTOREBTPBC-UHFFFAOYSA-N 230.267 2.286 0 40 BEAB COCCNC(=O)c1occc1-c1ccccc1 22618528 NLGMJWWRBPYZKK-UHFFFAOYSA-N 245.278 2.323 0 40 BEAB Cc1occc1C(=O)n1cccc/c1=N\C(C)C 22698424 UQLMHIAFNKLIOJ-FYWRMAATSA-N 244.294 2.387 0 40 BEAB Cc1cc2nc(Br)ccc2nc1N 26420130 UKFLBOFHBHHBIG-UHFFFAOYSA-N 238.088 2.283 0 40 BEAB CCn1ccc(NC(=O)Cc2ccccc2)n1 27929716 OURWAUDDJDAABI-UHFFFAOYSA-N 229.283 2.084 0 40 BEAB COc1ccc(SCN2CCOCC2)cc1 31637874 YRPQCDHPXRDKEF-UHFFFAOYSA-N 239.340 2.077 0 40 BEAB CN(C)c1ccccc1NC(=O)C1CCOCC1 31918420 XSRNDRPVZKQMCL-UHFFFAOYSA-N 248.326 2.118 0 40 BEAB OCc1csc(-c2ccc(F)cc2)n1 32012117 QTKNJWCGPSLBSS-UHFFFAOYSA-N 209.245 2.442 0 40 BEAB COC(C)(C)[C@H](C(=O)O)c1ccccc1 35572372 WIJIRZQPVVFTMY-JTQLQIEISA-N 208.257 2.280 0 40 BEAB CCCC[C@@H](CC)C(=O)N[C@H](C)CC(=O)O 37457878 SGJOUOAHSOFHTD-NXEZZACHSA-N 229.320 2.182 0 40 BEAB CCc1ccccc1NC(=O)N1CCC[C@@H](O)C1 43403187 GECKMMYCQUTJHU-GFCCVEGCSA-N 248.326 2.238 0 40 BEAB C[C@@H](NC(=O)Nc1cccnc1)c1cccnc1 48234277 NQRDIUYJZVLDLM-SNVBAGLBSA-N 242.282 2.359 0 40 BEAB Fc1ccc(CNc2ncccn2)c(F)c1 50197796 HEPRNHSWNFYQSB-UHFFFAOYSA-N 221.210 2.367 0 40 BEAB O=C(C1CCCCCC1)N1CCC[C@@H](CO)C1 53715344 UIFKZXKABWILKK-GFCCVEGCSA-N 239.359 2.188 0 40 BEAB CC[C@@H](O)Cc1cc(OC)ccc1OC 58002623 IVXXKJHTGUFCNK-SNVBAGLBSA-N 210.273 2.017 0 40 BEAB CNC(=O)c1cnc(/C=C/c2cccnc2)s1 65589869 CCGRYSVRLJIRBA-SNAWJCMRSA-N 245.307 2.068 0 40 BEAB CCOc1ccc(C)cc1CNCCOC 71407426 DKVCCYAUXLOGOV-UHFFFAOYSA-N 223.316 2.130 0 40 BEAB CCSc1ccc([C@H]2CCCN2C=O)cn1 72217109 WCFQLZMRHOTXCL-LLVKDONJSA-N 236.340 2.487 0 40 BEAB CC(C)N1CCCC[C@H](C2CCNCC2)C1=O 72343504 VRYLWURBECVNDK-CYBMUJFWSA-N 238.375 2.023 0 40 BEAB CCc1nc(N)nc(Cl)c1Br 74942527 SVTZSKWCDVDEQB-UHFFFAOYSA-N 236.500 2.037 0 40 BEAB CCCN(CC(=O)O)c1ccccc1F 76585292 QIBBIRZTUJANFT-UHFFFAOYSA-N 211.236 2.127 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 83896434 IQWZTPDZYDOMTF-ZDUSSCGKSA-N 232.327 2.466 0 40 BEAB CCCC1(CNC(=O)[C@@H](C)OC)CCC1 84740545 OUDIYOULXWPCHA-SNVBAGLBSA-N 213.321 2.108 0 40 BEAB O=C1C[C@@H](COCc2ccccc2)[C@H]1F 88241601 GDIUNGXHYQVOQB-CMPLNLGQSA-N 208.232 2.130 0 40 BEAB Cc1nc2n(n1)[C@H](c1ccccc1)C[C@H](C)N2 95471670 DJVKJKTUBCAKLX-CABZTGNLSA-N 228.299 2.380 0 40 BEAB O=C(O)[C@H]1CCC[C@H]1NCc1ccc(F)cc1 95919630 XBDRUHSCAZBDLY-NWDGAFQWSA-N 237.274 2.169 0 40 BEAB O=C(NC[C@@H]1CCCS1)c1ccccc1 95965007 LAQUMPWQPAYSHT-NSHDSACASA-N 221.325 2.312 0 40 BEAB C[C@H]1C[C@@H]1CN(C)CCc1nccs1 97105599 BSEGEYZFKXXRSQ-VHSXEESVSA-N 210.346 2.273 0 40 BEAB C[C@H](NCc1ccco1)C(=O)OC1CCCC1 97212814 IWKIKRZGNNNNJG-JTQLQIEISA-N 237.299 2.244 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CC(=O)O)C2 100730306 HGHBHQVHVZOHIY-RWEMILLDSA-N 240.299 2.219 0 40 BEAB COc1ccccc1[C@@H]1OC(=N)C(O)=C1O 104239660 OMDYIJSSUNLXHH-JTQLQIEISA-N 221.212 2.071 0 40 BEAB C[C@@H]1CCC[C@H](CC(=O)NCCCC(=O)O)C1 195541417 OGFVKKRSNMCBTB-MNOVXSKESA-N 241.331 2.184 0 40 BEAB COCCCN(C)C(=O)N1CCCCC[C@@H]1C 195576863 WIWRHXVTARSHTK-LBPRGKRZSA-N 242.363 2.339 0 40 BEAB CCC(=O)NC[C@H](CO)CC1CCCCC1 195580163 RXPFXCXHGNORLV-GFCCVEGCSA-N 227.348 2.092 0 40 BEAB COc1c(N)ccc2c1C=CC(C)(C)O2 205121380 MRLOUBCRQSZMNT-UHFFFAOYSA-N 205.257 2.462 0 40 BEAB c1cc([C@H]2CCCCN2C2CCOCC2)[nH]n1 205701076 FKZSPYBZLWPCSO-CYBMUJFWSA-N 235.331 2.116 0 40 BEAB CCO[C@H](Cc1cccc(C)c1C)C(=O)O 225024211 GNQZOIWXBPUOOZ-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB c1ccc(CCN2CCN[C@@H]3CCCC[C@@H]32)cc1 225711845 WBKROPMTWHKBDJ-CVEARBPZSA-N 244.382 2.446 0 40 BEAB CC(=O)CCOC(C(F)(F)F)C(F)(F)F 226022621 GWJHNFOMHOTOSI-UHFFFAOYSA-N 238.127 2.475 0 40 BEAB COCCc1ccc(C(=O)OC)n1CC(C)C 226030362 AJCSCINHFSJORE-UHFFFAOYSA-N 239.315 2.120 0 40 BEAB CN1[C@H]2CC[C@H]1c1cc(C(=O)O)sc1C2 242437282 BWFDNMWCTJTXQV-XPUUQOCRSA-N 223.297 2.138 0 40 BEAB OCc1c(F)cc(OCC(F)F)cc1F 584595783 SQUSCOPOLNXLQB-UHFFFAOYSA-N 224.153 2.101 0 40 BEAB O=C(O)CCc1ccnc2ccccc12 1657405 IWJZVWBVDNIJIL-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB in-vitro Oc1ccc([C@H](O)c2ccccc2O)cc1 1669757 CFZGVQKYFOXIBL-ZDUSSCGKSA-N 216.236 2.180 0 40 BEAB Cc1cc(C)c2c(NN)cc(C)nc2c1 2564407 AXNFALYOSQOVKL-UHFFFAOYSA-N 201.273 2.446 0 40 BEAB CC(C)(C)c1ccc(CNS(C)(=O)=O)cc1 5293233 QXOZJDMGTCSLPA-UHFFFAOYSA-N 241.356 2.033 0 40 BEAB CCNC(=S)Nc1nnc(CC(C)C)s1 5375128 HLEMPUJJHFQEAF-UHFFFAOYSA-N 244.389 2.043 0 40 BEAB C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](C)CN1 5722264 FKYVJLAHWSGDPJ-WZRBSPASSA-N 233.311 2.230 0 40 BEAB Cc1ccsc1C(=O)Nc1ccn(C)n1 12881182 KSNSLKUPPZRCHW-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB Cn1ccc(NC(=O)Cc2ccc(Cl)cc2)n1 14903636 BNFAKHPPVXAUAC-UHFFFAOYSA-N 249.701 2.255 0 40 BEAB CCOc1nc(C(F)(F)F)c(C(=O)O)s1 15443613 KSDCEAAVFJOFHJ-UHFFFAOYSA-N 241.190 2.259 0 40 BEAB Nc1nc(S)c(-c2ccccc2)c(S)n1 16989916 NXMBGQAPXCODBE-UHFFFAOYSA-N 235.337 2.303 0 40 BEAB COc1ccc(Cn2cccc2C(=O)O)cc1 19802953 GILZAXLQPXPWKN-UHFFFAOYSA-N 231.251 2.243 0 40 BEAB NC(=O)Nc1ccc(F)cc1Br 20430672 PKBPCEYFPXAMNE-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB COc1ccc(Nc2ncccn2)cc1OC 21643152 RADONZFDHJOBTO-UHFFFAOYSA-N 231.255 2.237 0 40 BEAB C[C@@H](N)c1ccc(NC(=O)c2ccncc2)cc1 22213332 YLHOUXJZKHQYTC-SNVBAGLBSA-N 241.294 2.354 0 40 BEAB CC(=O)c1ccccc1NCc1nc(C)no1 24661977 BREKGJYTBVKUHA-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CCCc1n[nH]c(SCc2ccccn2)n1 31196861 HXIBKXIYGZCTDP-UHFFFAOYSA-N 234.328 2.445 0 40 BEAB COc1ccc(OC)c([C@H]2CCCN2C(C)=O)c1 32819173 HUKPYMQSFICYEX-CYBMUJFWSA-N 249.310 2.387 0 40 BEAB C[C@H](C(=O)O)c1ccc2c(c1)OCCCO2 36160963 FTXKYBBUQHWDKU-QMMMGPOBSA-N 222.240 2.036 0 40 BEAB Cc1c(C=O)c(C)c(C=O)c(C)c1C=O 36372994 IBNLLMKGXOOWHH-UHFFFAOYSA-N 204.225 2.049 0 40 BEAB O=C1COc2ccc(OC(F)(F)F)cc21 36533742 QMLMFMUNQFRPSE-UHFFFAOYSA-N 218.130 2.160 0 40 BEAB Cc1cccc(-n2cc(C=O)cn2)c1C 40449012 KYHWLAJFWISYCA-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB Cc1cc(OC(F)(F)F)ccc1CN 44249917 HKUMMRQOULQYKN-UHFFFAOYSA-N 205.179 2.352 0 40 BEAB CN[C@@H](CN)c1c(Cl)cccc1Cl 50269914 ZAECCYQEMWHUQD-QMMMGPOBSA-N 219.115 2.213 0 40 BEAB CC(C)CC(=O)N[C@@H]1COc2ccccc2C1 53043337 FSYWSPNTAZZCET-LBPRGKRZSA-N 233.311 2.152 0 40 BEAB N=C(N)COc1cccc(Cl)c1Cl 55368325 QCUOSZDWAPHJOJ-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB C[C@@H](SCc1ccccc1)C(=O)N(C)C 61112428 OPWJUJCMHQLAMI-SNVBAGLBSA-N 223.341 2.397 0 40 BEAB Cc1nc(C(=O)C(F)(F)F)c2ccccn12 68575442 TXPTYBILHJJZGF-UHFFFAOYSA-N 228.173 2.388 0 40 BEAB in-vitro CC[C@](C)(CO)NCc1cccc(F)c1F 70710338 MIPQPNVWFWOLHT-GFCCVEGCSA-N 229.270 2.215 0 40 BEAB c1ccc([C@H]2C[C@@H]2CN2CCCNCC2)cc1 71477098 KJWVAYDVQDFQKH-HUUCEWRRSA-N 230.355 2.085 0 40 BEAB c1cnc(NC2CC2)c(C2=NCCC2)c1 72213699 PMUZTZOAQHPNFP-UHFFFAOYSA-N 201.273 2.239 0 40 BEAB COC(=O)c1ccc(-c2cccc(OC)c2)[nH]1 72226044 HTFGFDPFFMUQEG-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB C[C@](O)(C(=O)O)c1nc(-c2ccccc2)cs1 75866799 BMGHAVURJDEUPE-GFCCVEGCSA-N 249.291 2.102 0 40 BEAB CCCNCc1ccc(Br)nc1 83356459 VBTWLUWGPCDDQD-UHFFFAOYSA-N 229.121 2.344 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCc1cc(F)ccc1F 84686911 GYWCRMAOCIDPNC-GMSGAONNSA-N 225.238 2.237 0 40 BEAB CCO[C@H](C)c1noc([C@@H]2CCCOC2)n1 89984971 BQHWIFQXCJDEAA-RKDXNWHRSA-N 226.276 2.061 0 40 BEAB NC(=O)c1ccc(Cl)cc1OC(F)(F)F 91252289 MTYIZCXOBKSDPF-UHFFFAOYSA-N 239.580 2.338 0 40 BEAB CCc1noc(C)c1Cn1ccc(C)n1 97021485 ONVCGJKKLHRQQB-UHFFFAOYSA-N 205.261 2.099 0 40 BEAB O=C(C1=CCCC1)N1CCO[C@@H]2CCCC[C@H]21 98019368 ZOWLLORORZDOLK-CHWSQXEVSA-N 235.327 2.267 0 40 BEAB C[Si](C)(C)c1cc(C(=O)O)nc(Cl)c1F 195943210 COLNMQCFYZOZGR-UHFFFAOYSA-N 247.729 2.118 0 40 BEAB Fc1ccc(CN2CCN[C@H]3CCC[C@H]32)cc1 218842529 LBRLCNDADHUNML-UONOGXRCSA-N 234.318 2.152 0 40 BEAB CCCc1nc(-c2ccc(OC)c(N)c2)no1 225176134 NPAWQASZCNUFJZ-UHFFFAOYSA-N 233.271 2.280 0 40 BEAB C[C@@H]1Nc2ccccc2[C@H](C)[C@H]1C(=O)O 242648382 QVQNTCOQTCPKLU-DKCNOQQISA-N 205.257 2.305 0 40 BEAB CC(C)COCc1ccnn1CCF 408715253 AFJIZWCCUFULEX-UHFFFAOYSA-N 200.257 2.025 0 40 BEAB Cc1nnc(NC[C@@]2(C)CC2(F)F)s1 664401796 VZWTXTXAPUDCLR-SSDOTTSWSA-N 219.260 2.304 0 40 BEAB Nc1ccc(Sc2ccccn2)nc1 132758 XWNFGZLXUDSFQX-UHFFFAOYSA-N 203.270 2.210 0 40 BEAB in-vitro C[n+]1cc2ccccc2cc1CC(=S)S 1561357 LDMZESDRVXLSRD-UHFFFAOYSA-O 234.369 2.464 0 40 BEAB CCCCN(CCCC)CC1OCCO1 1734077 ZXOKTEZNWMLANU-UHFFFAOYSA-N 215.337 2.262 0 40 BEAB CCCn1nnc2sc3c(c2c1=O)CCCC3 1892783 PCBGMBZBKSAABK-UHFFFAOYSA-N 249.339 2.142 0 40 BEAB COc1cc(SC)c(OC)cc1C[C@@H](C)N 3652062 COBYBOVXXDQRAU-MRVPVSSYSA-N 241.356 2.315 0 40 BEAB COC(=O)CCC(=O)Nc1cccc(C)c1C 5508761 NXYTXHSGGMNOBV-UHFFFAOYSA-N 235.283 2.195 0 40 BEAB Cc1ccc(NC(=O)CN2CCCC2)c(C)c1 7786176 ZLBWEBIRVCLDJE-UHFFFAOYSA-N 232.327 2.338 0 40 BEAB CCCc1c(O)[nH]c2ccccc2c1=O 8763147 CKETYLIKMVJPGC-UHFFFAOYSA-N 203.241 2.186 0 40 BEAB CC[C@H]1CCCCN1C(=O)CCn1ccnc1 13135750 LVYIHIWNCGZDGT-LBPRGKRZSA-N 235.331 2.064 0 40 BEAB NCCC1CCN(Cc2ccccc2F)CC1 15423978 QNRNXZJYACSHKD-UHFFFAOYSA-N 236.334 2.387 0 40 BEAB Cc1nc2cc3nc(Cl)[nH]c3cc2[nH]1 16249014 HZCHAYOWVGIMNY-UHFFFAOYSA-N 206.636 2.401 0 40 BEAB CC(C)CC(=O)Nc1ccc(F)c(N)c1 20157390 GFBSQEZIAQMQKQ-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB CN1[C@H]2CC[C@@H]1CC(Oc1ccccc1N)C2 20351886 PTJMOVQHNOPZQW-FOSCPWQOSA-N 232.327 2.273 0 40 BEAB O=C(O)c1conc1-c1ccc(F)cc1 20440856 XXDHPFKMYSLBDJ-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB CC(C)NC(=O)c1ccc(-n2ccnc2)cc1 29402207 OEDGONSJYVKYBH-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB CCNCc1cccc(OC(F)F)c1 34816344 ATTPDULVXKHPLQ-UHFFFAOYSA-N 201.216 2.398 0 40 BEAB Cc1ccc(C(=O)Nc2cn[nH]c2)s1 35237528 IEPNKMSWQZOHPJ-UHFFFAOYSA-N 207.258 2.032 0 40 BEAB COC(=O)/C=C/c1cc2cc(OC)ccc2[nH]1 38976601 YNAQUUBSQGHUEK-ZZXKWVIFSA-N 231.251 2.363 0 40 BEAB C[C@@H](O)CNCc1csc(-c2ccccc2)n1 40464602 MBZABVRXUNSAQJ-SNVBAGLBSA-N 248.351 2.281 0 40 BEAB CCOCCCNC(=O)c1ccccc1C 41590862 BWEUTTNDMVODIG-UHFFFAOYSA-N 221.300 2.151 0 40 BEAB CSCC[C@H](NCC1CCCCC1)C(=O)O 41689776 UDFHQLDCTCWQQC-NSHDSACASA-N 245.388 2.363 0 40 BEAB Cc1cccnc1NC(=O)N[C@H](C)[C@H]1CCCO1 46974233 NWUAMSWXXBPYIS-GHMZBOCLSA-N 249.314 2.079 0 40 BEAB Cc1nc(CN2c3ccccc3C[C@@H]2C)no1 51087616 UNBUBMGTWCNPGD-VIFPVBQESA-N 229.283 2.329 0 40 BEAB CN(C)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 57881285 OMJRNDKPIQLFGT-CYBMUJFWSA-N 247.342 2.245 0 40 BEAB CCCC(=O)N(C)CCOc1ccccc1 58031277 DBAOMHIDAPOLBE-UHFFFAOYSA-N 221.300 2.324 0 40 BEAB O=C(CSc1ccc(F)cc1F)NC1CC1 60994825 ILKPQFKHWQUFIO-UHFFFAOYSA-N 243.278 2.336 0 40 BEAB N[C@H](c1ccc(F)cc1)C1CCOCC1 61671343 YLPBABRLRUVRGD-GFCCVEGCSA-N 209.264 2.252 0 40 BEAB CC(C)[C@H](C)C(=O)NCc1cccc(C(=O)O)c1 70122260 NLFZMTUIFBFEFX-JTQLQIEISA-N 249.310 2.293 0 40 BEAB O=CN1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213810 ZUGBSDUQVKWXNU-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB COC(=O)c1ccc(N2CCCCC2)nc1C 72224536 UHIXSCPKNJADHH-UHFFFAOYSA-N 234.299 2.167 0 40 BEAB Cc1ccc(-c2[nH]c(=O)sc2C(=O)O)cc1 76780642 XUFHAAIHOCJMKE-UHFFFAOYSA-N 235.264 2.110 0 40 BEAB CN(CCO)C(=O)Nc1cccc2c1CCCC2 78800764 UJINLMXPHIOYQU-UHFFFAOYSA-N 248.326 2.021 0 40 BEAB CCOc1ncc(Cl)c(N)c1Cl 79007108 IQZKYGOQXSNZPR-UHFFFAOYSA-N 207.060 2.369 0 40 BEAB O=c1cc(Cn2ccnc2)c2cc(F)ccc2o1 85399431 SDULOSWPXNYMHQ-UHFFFAOYSA-N 244.225 2.177 0 40 BEAB O=C(c1ncco1)c1cc(F)ccc1F 85651168 QHQQYEKFJXLLIA-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB C[C@H](O)[C@@H]1CCCN(CCc2ccccc2)C1 89927845 NSYYHZYMLTXWKM-DZGCQCFKSA-N 233.355 2.322 0 40 BEAB CCCc1nn(Cc2ccc(C)cc2)c(=O)o1 89960543 OXYXBLGCDZCPRK-UHFFFAOYSA-N 232.283 2.146 0 40 BEAB c1cc([C@@H]2CCCNC2)n(C2CCCC2)n1 95093748 AYVJLFQDWMKHNO-LLVKDONJSA-N 219.332 2.465 0 40 BEAB Brc1ccccc1[C@@H]1COCCN1 95692866 QXECBXQGHZBTIT-JTQLQIEISA-N 242.116 2.110 0 40 BEAB CC(C)=CC(=O)N(CC(=O)O)C1CCCCC1 97018099 BZDXFFMZCMATPW-UHFFFAOYSA-N 239.315 2.199 0 40 BEAB C1=C2CCCN[C@@H]2[C@H]2C[C@H]1[C@@H]1CCCCN1C2 100150596 SKOLRLSBMUGVOY-AJNGGQMLSA-N 232.371 2.169 0 40 BEAB biogenic,in-vitro CCC(O)(CC)c1ncc(Br)cn1 145783467 QWOCFZZADNCZAT-UHFFFAOYSA-N 245.120 2.247 0 40 BEAB CC(C)(C)CCSCC(=O)NC1CC1 187555058 ZBJUMNDQYINUST-UHFFFAOYSA-N 215.362 2.434 0 40 BEAB COC(=O)[C@H](OCc1ccccc1)C(F)(F)F 196190688 YASINZQQUKRMSN-VIFPVBQESA-N 248.200 2.307 0 40 BEAB Cc1cn[nH]c1[C@@]1(C)CN(C2CCCC2)CCO1 205673899 QKHUTFHOKRHHRE-CQSZACIVSA-N 249.358 2.208 0 40 BEAB CCO[C@H](Cc1ccc(C)cc1)C(=O)O 220066697 NDLVBZXESQLLFL-LLVKDONJSA-N 208.257 2.027 0 40 BEAB Oc1cccnc1NC(=S)NC1CCCC1 224034268 HCZJAVXWKNTZIQ-UHFFFAOYSA-N 237.328 2.016 0 40 BEAB CC1(C)COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 245339440 SUYLLFBMQOUJEQ-GDNZZTSVSA-N 237.343 2.060 0 40 BEAB CC(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147951 KDGSEVNLIDXORU-CYBMUJFWSA-N 245.278 2.116 0 40 BEAB CC[C@@H](NC)C(=O)N1CC(C)(C)c2ccccc21 662499054 YJCYKQFGEZOXFY-GFCCVEGCSA-N 246.354 2.309 0 40 BEAB CCO/C=C\C(O)(C(F)(F)F)C(F)(F)F 953019063 AXBLDKCTPBGTTO-ARJAWSKDSA-N 238.127 2.392 0 40 BEAB Cc1ccc(-c2csc(NC(=O)CO)n2)cc1 48949 XNKIWICKJVGWED-UHFFFAOYSA-N 248.307 2.049 0 40 BEAB COc1ccc(C2(C)OCCCO2)cc1 1696870 ICFOBGWTCNBOEH-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB O=CNc1cccc(OC(F)(F)C(F)F)c1 2571069 VNAACZFHBIRGFE-UHFFFAOYSA-N 237.152 2.492 0 40 BEAB CC1CCN(c2nc(Cl)nc(Cl)n2)CC1 5416774 VDKWHSHJIFOLKY-UHFFFAOYSA-N 247.129 2.415 0 40 BEAB COc1ccc2c(c1)CC[C@@H]1C=NO[C@H]21 5551376 YRSNLDZQPNYKPW-SKDRFNHKSA-N 203.241 2.315 0 40 BEAB CCC1CCC(NC(=O)[C@H]2CCCO2)CC1 16606042 WPNCXOMNLMPIFI-HTAVTVPLSA-N 225.332 2.250 0 40 BEAB CCCN1CNC(=S)N(C2CCCCC2)C1 17194010 VURBTPNLHSYBQW-UHFFFAOYSA-N 241.404 2.136 0 40 BEAB C/C=C\C(=O)O[C@H](C)CCOC(=O)/C=C/C 17377367 ZTVGGPBXWHCVLE-XCXMJLNFSA-N 226.272 2.004 0 40 BEAB CN(C[C@H]1CCCCN1)C1CCCCC1 19434679 UMYLTPCKYCKKNA-GFCCVEGCSA-N 210.365 2.393 0 40 BEAB Cc1cc(Cl)c(C=O)c(=O)n1C(C)C 19945098 MUZVPXJBHWZERQ-UHFFFAOYSA-N 213.664 2.204 0 40 BEAB Fc1ccc(CNCCN2CCCC2)c(F)c1 20126724 OOZXOBGALXBKPQ-UHFFFAOYSA-N 240.297 2.150 0 40 BEAB NCc1ccnc(Oc2ccccc2F)c1 22210826 AAEIPMVEMPNDNA-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro Cc1ccc(C(=O)N[C@H](C)c2ccncc2)n1C 27407027 ODGSEGCNSHZZNA-LLVKDONJSA-N 243.310 2.220 0 40 BEAB O=C(NCCc1ccco1)NCc1ccccc1 32797256 NBTIWGJJSNYXNH-UHFFFAOYSA-N 244.294 2.322 0 40 BEAB CCCNC(=O)c1c[nH]c2ccccc12 35134643 BPKMYADCNZBWEH-UHFFFAOYSA-N 202.257 2.308 0 40 BEAB CCCNS(=O)(=O)c1cc(Cl)ccc1C 37023791 LIXNQIUNTUYONU-UHFFFAOYSA-N 247.747 2.337 0 40 BEAB COC(=O)C[C@@H](C)CC(=O)c1ccccc1 38339461 ALNDZUCXUVJBGY-JTQLQIEISA-N 220.268 2.459 0 40 BEAB C[C@H](NC(=O)C[C@H]1C=CCC1)[C@H]1CCCO1 40509093 FNTBMUSIRMAWMP-SDDRHHMPSA-N 223.316 2.026 0 40 BEAB CCCc1ccccc1NC(=O)N[C@@H](C)CO 40526922 VJKCQHZJXZGTOZ-JTQLQIEISA-N 236.315 2.141 0 40 BEAB Cc1csc(-c2nc3ccccc3[nH]c2=O)n1 40556412 LQNIFAGRKVHBOV-UHFFFAOYSA-N 243.291 2.355 0 40 BEAB O=C(O)[C@H](OC1CCOCC1)c1ccccc1 40991525 BDHACESTUPCZAC-GFCCVEGCSA-N 236.267 2.008 0 40 BEAB Fc1ccc(OC[C@@H]2CCCN2)c(F)c1 41226807 XXWTXXMYEVSWJN-VIFPVBQESA-N 213.227 2.096 0 40 BEAB Clc1cncc(NCc2ccncc2)n1 42784043 RUYVFPKDYKVUPP-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB in-vitro COc1ccc2c(c1)[C@H](O)C[C@@H](C(F)(F)F)O2 43464917 JFPBLFLXPAOFAF-SCZZXKLOSA-N 248.200 2.442 0 40 BEAB C[C@@H](NC[C@@H]1CCCN(C)C1)c1ccccn1 44535409 BCQHUTMQYWHWAV-OLZOCXBDSA-N 233.359 2.074 0 40 BEAB c1cc(Cc2ccc(-n3cnnc3)cc2)ccn1 45958375 OCKSCOCAPCJXDO-UHFFFAOYSA-N 236.278 2.253 0 40 BEAB Cc1ccccc1OCCC(=O)NC(C)C 46346294 AYZJFPVPPYAQHV-UHFFFAOYSA-N 221.300 2.289 0 40 BEAB Cc1ccc(C(=O)CCC(=O)N(C)C)s1 47339948 XGLMKRMBNRCKPT-UHFFFAOYSA-N 225.313 2.108 0 40 BEAB O=C(OCC(F)(F)F)N1CCCCC1 47843910 VWSSKHWULVBDEU-UHFFFAOYSA-N 211.183 2.171 0 40 BEAB C[C@@H](O)CN(C)c1nc2ccccc2s1 49776509 QJPBEAZYMPLOBM-MRVPVSSYSA-N 222.313 2.113 0 40 BEAB COc1ccc(CNC(=O)[C@@H]2CC=CCC2)cn1 54484437 DLDOZCRRUMSTBS-GFCCVEGCSA-N 246.310 2.063 0 40 BEAB COc1ccc(OC)c([C@@](C)(O)C2CC2)c1 55234351 PDONEVNGIYCOIJ-ZDUSSCGKSA-N 222.284 2.321 0 40 BEAB CC(C)Oc1ccc(CC[C@@H](C)NC(=N)N)cc1 58380083 FJLQIPPCNXTUMU-LLVKDONJSA-N 249.358 2.278 0 40 BEAB CCSc1nc(=O)cc(O)n1-c1ccccc1 59095868 MLYNOSGTCYXWHB-UHFFFAOYSA-N 248.307 2.050 0 40 BEAB CC(C)CC1(CC(C)C)CC(=O)NC1=O 64875630 NGUYBFCXHBZCNP-UHFFFAOYSA-N 211.305 2.112 0 40 BEAB CCOCCN(CCOC)Cc1ccccc1 71809468 MAUOWRRFKIJCNU-UHFFFAOYSA-N 237.343 2.172 0 40 BEAB CCOC(=O)c1cn[nH]c1Cc1cccs1 71980832 RKPTWWYITCJNAD-UHFFFAOYSA-N 236.296 2.239 0 40 BEAB CC(C)Oc1ncccc1[C@@H]1CCCN1 72211941 XCFLCPBMSUBXAH-NSHDSACASA-N 206.289 2.293 0 40 BEAB CCN(CC)c1ccc([C@@H]2CCCN2C=O)cn1 72212823 AJVIUQVCTMHTHY-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccccc2)o1 72227357 UNDJYBILXHRWCS-OLZOCXBDSA-N 242.278 2.003 0 40 BEAB CCNC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 75107895 CDFANPZPBBXYIG-VWYCJHECSA-N 210.321 2.369 0 40 BEAB O=Cc1c(F)ccc(Br)c1O 75926717 DAWSNYZORFNMGT-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB Cc1ccc(NC(=O)c2cccnn2)cc1C 82322766 JERGHPHQTPKOFA-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB COC(=O)C1(Oc2cccc(C)c2)CC1 85393116 XAWLUMOVVDJWIZ-UHFFFAOYSA-N 206.241 2.079 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)O1 85394763 WJCJCSBZEIWYTB-SCZZXKLOSA-N 240.642 2.029 0 40 BEAB Cn1ccc(C(=O)Cc2ccc(F)cc2F)n1 87413661 ZOYLVENYCQBIQA-UHFFFAOYSA-N 236.221 2.124 0 40 BEAB CC1(c2nc3c(c(=O)[nH]2)CCCCC3)CC1 87548752 BZVDGZPVTHGKAJ-UHFFFAOYSA-N 218.300 2.090 0 40 BEAB CC(C)c1ccc(N(C)S(C)(=O)=O)cc1 89893412 AYCMZWIPOCDBMN-UHFFFAOYSA-N 227.329 2.206 0 40 BEAB OCc1ccc(C(F)(F)F)nc1C1CC1 90727966 SHPNOLJYPRAALF-UHFFFAOYSA-N 217.190 2.470 0 40 BEAB CC(C)C(=O)N1c2ccccc2[C@@H]2CNCC[C@H]21 96157345 XNQMDFBAIYVBRB-GXTWGEPZSA-N 244.338 2.135 0 40 BEAB CCOc1ccc(NCC(C)C)c(C(N)=O)c1 96453629 NHHABJAAXKBAJE-UHFFFAOYSA-N 236.315 2.252 0 40 BEAB CC(C)(C)OCCN1CCCSCC1 96485551 QVOBIFAASQITAG-UHFFFAOYSA-N 217.378 2.240 0 40 BEAB COC(=O)COC(=O)c1ccc(C(C)C)s1 96503011 DBEDFBFDWWVRLA-UHFFFAOYSA-N 242.296 2.201 0 40 BEAB Nc1cnn(CCC(F)(F)C(F)(F)F)c1 96509092 XELLXEPOHPURHQ-UHFFFAOYSA-N 229.152 2.053 0 40 BEAB COC(=O)c1sc(Cl)cc1OC 96510894 LXUUJYCERAHOTH-UHFFFAOYSA-N 206.650 2.197 0 40 BEAB CC(=O)C1[C@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2C3C(C)=O 101037325 WAFUAESYRJBJEJ-KOFFWFPRSA-N 242.318 2.261 0 40 BEAB Cc1ccc(N(C)[C@@H](C)C(=O)O)cc1C 148078534 XHISHYIZCCONSD-JTQLQIEISA-N 207.273 2.213 0 40 BEAB CCn1nccc1CN1CCc2ccccc21 180546312 UJZIPHFULCNGHH-UHFFFAOYSA-N 227.311 2.466 0 40 BEAB CC1(C)CCN(Cc2ccccc2)C[C@H]1O 205465833 BJFLAIAWQVLNTQ-CYBMUJFWSA-N 219.328 2.279 0 40 BEAB CC(C)c1ccc([C@H]2CN(C)C[C@@H]2CO)cc1 217671738 OLZNQGPPDNVRMI-HUUCEWRRSA-N 233.355 2.448 0 40 BEAB O=S(=O)(c1cccnc1Cl)C(F)(F)F 252497474 QIYOJLLXGLPIGZ-UHFFFAOYSA-N 245.609 2.029 0 40 BEAB CC(=O)c1ccc(-c2ccccn2)nc1O 253536461 RPDQQKWEGQUNQP-UHFFFAOYSA-N 214.224 2.052 0 40 BEAB O=C1Nc2ccc(-c3cccc(O)c3)cc2C1=O 254286866 KRXYYOLXPCCJKA-UHFFFAOYSA-N 239.230 2.194 0 40 BEAB COCn1cc(NCc2ccc(F)s2)cn1 256053314 QYMNPLYRIRKXFB-UHFFFAOYSA-N 241.291 2.300 0 40 BEAB CC(=O)Oc1ccccc1C(=O)C(F)F 308797498 ILOIYKZAZMNVDH-UHFFFAOYSA-N 214.167 2.060 0 40 BEAB N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 536948756 VFRUKJZCIJIQFD-UJNFCWOMSA-N 224.101 2.046 0 40 BEAB Fc1cnc2ccc(Br)cn12 585163913 CGIFYHLZGFMDGB-UHFFFAOYSA-N 215.025 2.236 0 40 BEAB CC(C)CN1CCn2c(nnc2C(C)(C)C)C1 662244498 HDPJFISCLNHLIQ-UHFFFAOYSA-N 236.363 2.047 0 40 BEAB NC(=O)C[C@H](Cc1ccccc1)c1ccco1 489822 KXCPZNDCHCRVAZ-LBPRGKRZSA-N 229.279 2.481 0 40 BEAB biogenic NC[C@@H](O)c1ccc(OCc2ccccc2)cc1 1614711 YZOUUVUNKGUDSK-OAHLLOKOSA-N 243.306 2.258 0 40 BEAB in-vitro O=C(OCC[C@@H]1CCCCN1)c1ccccc1 1997811 CSPRDNCAADKCLW-ZDUSSCGKSA-N 233.311 2.376 0 40 BEAB Cn1c2ccccc2n2nc(-c3ccco3)nc12 2488664 CXSXSLBIDVWLLA-UHFFFAOYSA-N 238.250 2.481 0 40 BEAB Cc1ccc(C(=O)Nc2cnn(C)c2C)cc1 2796268 RRNIGBSRXZUSBG-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB C(=C\c1nc2ncccn2n1)\c1ccccc1 5574635 JRGAGMBPEBIZGY-FPLPWBNLSA-N 222.251 2.295 0 40 BEAB O=C(Nc1nc2ccccc2[nH]1)c1cccnc1 5942356 HRGOZHCVIKORDV-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCc1n[nH]c(=S)n1NCc1ccccc1 8339399 VTPBBYVMYQWNNI-UHFFFAOYSA-N 234.328 2.247 0 40 BEAB CCOc1ccc(-n2cccc2)cc1N 8702382 KKKPEMKVJZUDHF-UHFFFAOYSA-N 202.257 2.458 0 40 BEAB CC(C)NC(=O)CNc1cccc(Cl)c1 9155219 YHHSYFGBIOYNLZ-UHFFFAOYSA-N 226.707 2.277 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1 12913954 MHOFJBIBOVGCAB-JQWIXIFHSA-N 218.300 2.390 0 40 BEAB Cc1cccc(NC(=S)NCc2ccco2)n1 13574066 DTMHRJCHFFJPMM-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB O=C(NCc1cccnc1)c1ccc(Cl)nc1 17168852 ZDDWIOPNYGWTQL-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB O=C(O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O 19702692 XAEDXOYCNKFXGA-UHFFFAOYSA-N 249.653 2.394 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccccc2N)C1 20155698 NWTNMVYWIPVCNY-VXGBXAGGSA-N 246.354 2.316 0 40 BEAB CN(C)CC[C@@H](N)c1ccc(Cl)cc1 20273985 BHCWWKIOLOCHRY-LLVKDONJSA-N 212.724 2.292 0 40 BEAB CN(C(=O)c1ccccn1)C1CCCCC1 32666394 KUJSPMASIRQMAC-UHFFFAOYSA-N 218.300 2.486 0 40 BEAB C[C@H](NC(=O)NC1CC1)c1ccccc1 32843682 DVVBIUIDGYUPGM-VIFPVBQESA-N 204.273 2.209 0 40 BEAB NC(=O)c1c(Cl)cccc1C(F)(F)F 38529622 JUAICIUGQMFFPO-UHFFFAOYSA-N 223.581 2.458 0 40 BEAB Cc1cc(NC(=O)c2ccsc2)n(C)n1 40481255 OIMBIUNWNCCZGB-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB CC(C)(C)c1cc(N)c2oc(=O)[nH]c2c1 41568848 VOPUDFMUSKQOGI-UHFFFAOYSA-N 206.245 2.001 0 40 BEAB Cc1ccc(-c2c[nH]nc2N2CCOCC2)cc1 44857644 NJQKIKMWGAKXEJ-UHFFFAOYSA-N 243.310 2.222 0 40 BEAB CC[C@H](SC)C(=O)Nc1cc(C)on1 44973221 WFGDCBPHGQVEIK-ZETCQYMHSA-N 214.290 2.063 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)OCCCO2 57529487 JKRMHVLPJAVGAR-SNVBAGLBSA-N 249.310 2.376 0 40 BEAB Cc1c(Cl)cccc1C[C@H](C(=O)O)N(C)C 57533801 XFVDQEXLBLINRN-LLVKDONJSA-N 241.718 2.206 0 40 BEAB CC(C)C(=O)NC[C@@H](CC(=O)O)c1ccccc1 62702190 XWKFLAFKGXGJBM-GFCCVEGCSA-N 249.310 2.017 0 40 BEAB OC(=C\C1=NCCN1)/C=C/c1ccccc1 62716120 JUKDUGMMRRAZIY-PBDTWZTKSA-N 214.268 2.143 0 40 BEAB COc1ccc([C@H]2[C@@H](CN)CCCN2C)cc1 68592362 KCCPEDRPGGXQRU-OCCSQVGLSA-N 234.343 2.037 0 40 BEAB in-vitro COc1ccccc1[C@@H]1CCCN1C(C)=O 68814482 DGDYNAFMGIRUOS-LBPRGKRZSA-N 219.284 2.379 0 40 BEAB CC(C)(C)CC(=O)NC[C@@H](O)Cc1ccccc1 70639127 RYDJJJWAKWEXNY-ZDUSSCGKSA-N 249.354 2.142 0 40 BEAB c1ccc(CN2CCC[C@H](c3ccn[nH]3)C2)nc1 72187691 OKLKRMMFDLHIAK-LBPRGKRZSA-N 242.326 2.184 0 40 BEAB CCN1CCC[C@@H](c2n[nH]c3ncccc23)C1 72350738 XGVCVIVWTFWOGF-SNVBAGLBSA-N 230.315 2.157 0 40 BEAB Cn1cc2ccc(F)c(Br)c2n1 75842662 GAPGITHMNBBPRY-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB C[C@@H](C(=O)O)[C@@H]1CCN(Cc2ccccc2)C1 82343103 HBRSSCLTCVYAAK-DGCLKSJQSA-N 233.311 2.229 0 40 BEAB NCc1c(F)ccc(Br)c1F 83351661 AAUGNHMFXXDXRZ-UHFFFAOYSA-N 222.032 2.186 0 40 BEAB CC(C)COc1cccc(NC(N)=S)c1 85389803 KJCYHJWAESBHMX-UHFFFAOYSA-N 224.329 2.377 0 40 BEAB CCn1c(C(=O)OC)c(C=O)c2ccccc21 89203444 GAPYSTXOVWTJRN-UHFFFAOYSA-N 231.251 2.260 0 40 BEAB C[C@H]1CN(Cc2ccc(O)cc2)CCS1 97104754 NKJGLUDNEJRGNU-JTQLQIEISA-N 223.341 2.330 0 40 BEAB CC1(C)[N+]([O-])=CC(c2ccccc2)=[N+]([O-])C1(C)C 100709534 ZRCIUCJSFWRXTL-UHFFFAOYSA-N 246.310 2.138 0 40 BEAB CC(=O)c1c(O)c2cccc3c2n(c1=O)[C@H](C)C3 101407167 RDFVCFGNKZADIN-SSDOTTSWSA-N 243.262 2.027 0 40 BEAB Cc1ccc(C(=O)/N=c2/sccn2C)cc1C 102498837 JGWXWJYCBSZHRO-BUHFOSPRSA-N 246.335 2.445 0 40 BEAB Cc1ccc(Cc2ccc(CO)[nH]2)cc1 226030050 YHKBNLYSWICHEA-UHFFFAOYSA-N 201.269 2.406 0 40 BEAB COP(=O)(OC)[C@H](O)[C@@H]1CC=CCC1 238360941 JWPDKPCAOFVQNW-BDAKNGLRSA-N 220.205 2.147 0 40 BEAB Nc1cc(-c2cccc(-n3ccnc3)c2)no1 258504762 SDDLORALGYGLAI-UHFFFAOYSA-N 226.239 2.110 0 40 BEAB CCOC(=O)c1nc2cccc(OC)c2s1 309171554 PGXWRPXZHYFYAL-UHFFFAOYSA-N 237.280 2.482 0 40 BEAB C/C=C/C(=O)N1CCC[C@H](Oc2ccncc2)C1 575612762 MNABXDZYVRJAHD-OHVSUOQFSA-N 246.310 2.028 0 40 BEAB COC(=O)c1cc(O)cc(Br)c1C 575713065 TXYJFNFWFPLQJI-UHFFFAOYSA-N 245.072 2.250 0 40 BEAB Cc1ccccc1OCC(=O)NCC(C)C 130068 KXBQMVOVMSAVHT-UHFFFAOYSA-N 221.300 2.146 0 40 BEAB C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1 405546 QFLATZNEOVQJFV-UHFFFAOYSA-O 210.260 2.054 0 40 BEAB COc1ccc2ccccc2c1S(=O)O 1398678 LTYLMVLQAQBDRK-UHFFFAOYSA-N 222.265 2.429 0 40 BEAB CC(C)(C)OC(=O)NCC1(O)CCCCC1 1436231 YPBYCEVRJJLTDN-UHFFFAOYSA-N 229.320 2.206 0 40 BEAB COc1cccc(C)c1[C@H](O)C[C@@H]1CCCN1 1569339 MNGMPKYYSAWCQH-NWDGAFQWSA-N 235.327 2.179 0 40 BEAB O[C@](c1ccccc1)(C1CCNCC1)C1CC1 2027622 XLLQNRJIPLGCJP-HNNXBMFYSA-N 231.339 2.284 0 40 BEAB CCn1nccc1CNC(=O)c1ccc(C)cc1 2796435 YKGGMMAVKADYJK-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB O=C(Nc1ccccc1Cl)c1cc[n+]([O-])cc1 3218871 GUQFXEDFHKDXSV-UHFFFAOYSA-N 248.669 2.226 0 40 BEAB CC(C)Cc1nc2ccccc2c(=O)o1 4499618 XOUWWFRIWFBPGA-UHFFFAOYSA-N 203.241 2.387 0 40 BEAB CC(C)(C)[C@]1(O)COc2ccccc2O1 4566057 VPANZLLRKNSFHJ-LBPRGKRZSA-N 208.257 2.193 0 40 BEAB CC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 6880280 BVHXANRJPBOUBU-SECBINFHSA-N 231.251 2.302 0 40 BEAB CC(C)Cn1c(S)nnc1-c1cccnc1 9304602 BEAXAUSOJOBNBN-UHFFFAOYSA-N 234.328 2.285 0 40 BEAB Cc1cc(=O)[nH]c2c1cnn2[C@H](C)C1CC1 12505320 CQPZGBQVMVGDQG-MRVPVSSYSA-N 217.272 2.004 0 40 BEAB CONC(=O)c1cc(Cl)ccc1Cl 12823212 YGKPJQAYKBAHED-UHFFFAOYSA-N 220.055 2.285 0 40 BEAB O=C(CSc1ccccc1F)N1CCC1 12937529 OLJJYQBZGVCPNN-UHFFFAOYSA-N 225.288 2.150 0 40 BEAB Cc1ccc(NC(=O)CN(C)C(=O)C(C)C)cc1 13011540 MJIRWTSVQYYEMD-UHFFFAOYSA-N 248.326 2.048 0 40 BEAB CC(=O)N[C@H](C(=O)Nc1ccc(C)cc1)C(C)C 13016021 NMXNEMDWFHKYBE-ZDUSSCGKSA-N 248.326 2.094 0 40 BEAB O=C(O)c1cc(Cl)ccc1NC(=O)C1CC1 13188168 LNPYASOMKWFQOX-UHFFFAOYSA-N 239.658 2.387 0 40 BEAB Cc1ccc(-c2ccc3nnc(C)n3n2)cc1 15826207 VZFLMNLAAODARJ-UHFFFAOYSA-N 224.267 2.408 0 40 BEAB COc1ccc(OC)c(CCCCO)c1 19728717 VFJIIJPQYPKBHP-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB CCC[C@@H](C)NC(=O)c1cnc(C)nc1C 19937107 YARGHWGTCUWXND-MRVPVSSYSA-N 221.304 2.012 0 40 BEAB Cc1c(NCc2ccccc2)cnn1C 20350378 ZOQAOGRMYRKQKL-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB COC(=O)[C@@H]1CC(=S)N(Cc2ccccc2)C1 20358012 GNDZSDHDZGZERP-LLVKDONJSA-N 249.335 2.009 0 40 BEAB CC[C@H](C)c1nc(Cl)n(-c2ncccn2)n1 22125471 JFZKTSFNMPECTG-ZETCQYMHSA-N 237.694 2.224 0 40 BEAB O=C(Nc1cc(F)ccc1C(=O)O)c1ccoc1 22175642 FQCVFLREJNHLLH-UHFFFAOYSA-N 249.197 2.369 0 40 BEAB c1ccc2[nH]c(-n3nnc4ccccc43)nc2c1 26472867 FFVJJTCKVFXBLJ-UHFFFAOYSA-N 235.250 2.297 0 40 BEAB COCc1noc(N)c1-c1ccc(F)cc1 26512596 SJGWZJDBZJUUAE-UHFFFAOYSA-N 222.219 2.209 0 40 BEAB CCn1cc(NC(=O)c2cc(Cl)c[nH]2)cn1 27920214 JTAVILJEOJIHRL-UHFFFAOYSA-N 238.678 2.137 0 40 BEAB O=C(/C=C/c1cccnc1)NC1CCCC1 30860854 NRKHUOLHXIAQMX-BQYQJAHWSA-N 216.284 2.154 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)c1cc(C2CC2)[nH]n1 32786936 JVLPXJACSMQBGV-QMMMGPOBSA-N 233.315 2.158 0 40 BEAB C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCO1 32787637 RBNVSMQLTNSFOS-UTUOFQBUSA-N 225.332 2.203 0 40 BEAB O[C@@H](c1ccc2c(c1)OCO2)c1ccco1 34109073 MGUNGYMZVRXYGF-LBPRGKRZSA-N 218.208 2.090 0 40 BEAB CNCc1cc(-c2cccc(OC)c2)no1 35655523 PARFINZMBSJRMJ-UHFFFAOYSA-N 218.256 2.070 0 40 BEAB O=c1cc[nH]c2c(Br)cc(F)cc12 35731151 BZXSITKAJRDRIN-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB CCN(CC)[C@@](C)(C(=O)O)c1cccc(F)c1 37361057 OKBZOISZQCHBFQ-CYBMUJFWSA-N 239.290 2.467 0 40 BEAB COC(=O)c1cccc(OC)c1Cl 38435029 ALVQTYWDDKJEBE-UHFFFAOYSA-N 200.621 2.135 0 40 BEAB CC(=O)N1CCc2cccc(Cl)c2C1 39310395 MATYZNMRPBYULY-UHFFFAOYSA-N 209.676 2.245 0 40 BEAB COc1cccc(C2(CC(=O)O)CC2)c1 41214549 UNCNHIVJXHJOIT-UHFFFAOYSA-N 206.241 2.202 0 40 BEAB OCCNc1c2c(nc3ccccc13)CCC2 41473019 GCCUENIZXMNYKP-UHFFFAOYSA-N 228.295 2.128 0 40 BEAB COCc1noc(-c2cccc3[nH]ccc23)n1 45894882 PAUXDNABNVYKMP-UHFFFAOYSA-N 229.239 2.364 0 40 BEAB CC(C)CNC(=O)CCOc1ccccc1F 48090042 GAJLBBMWRYZYHB-UHFFFAOYSA-N 239.290 2.367 0 40 BEAB CNC(=O)c1ccc(Br)cc1C 48190568 NFMDVDVBIHOWTE-UHFFFAOYSA-N 228.089 2.117 0 40 BEAB in-vitro CCOc1ccccc1[C@H](C)N[C@H](C)C(=O)O 49354296 JWIDPYZBSDOXSI-VHSXEESVSA-N 237.299 2.209 0 40 BEAB FC(F)Oc1ccc(Br)nc1 59613264 PYKSHJJKXWPSHM-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB in-vitro NCCCn1ncc2ccc(Cl)cc21 62711063 IHVXDOMZZMRTFX-UHFFFAOYSA-N 209.680 2.039 0 40 BEAB Cc1ccc(-c2nc(C3CCNCC3)n[nH]2)cc1 64875526 WFNZPJTZMZQLRS-UHFFFAOYSA-N 242.326 2.247 0 40 BEAB Cc1cc(Br)c(F)c(CO)c1 75925971 ABZHOJSLEZVRGF-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB CCNC(=O)N(C1CC1)[C@H](C)c1ccccn1 78933028 VWXABLTYOFEGDK-SNVBAGLBSA-N 233.315 2.337 0 40 BEAB CCCNC(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1 81574673 KCYFXQCUXXEMER-IUODEOHRSA-N 246.354 2.206 0 40 BEAB O=C(C1CCC1)N1CCOc2ccccc2C1 82353464 UEJWLIGPQFCEBW-UHFFFAOYSA-N 231.295 2.208 0 40 BEAB CCn1nc(C)cc1-c1ccc(C(=O)O)o1 85392442 LHLJNLLAPRSQBK-UHFFFAOYSA-N 220.228 2.170 0 40 BEAB c1ccc([C@H]2OCC[C@@H]2CN[C@@H]2CCOC2)cc1 88734915 CNICOWSPQZUUAS-RBSFLKMASA-N 247.338 2.143 0 40 BEAB Cc1ccc([C@H](O)c2ccc3c(c2)OCO3)o1 95727188 LQRWDHXVEQAIKO-CYBMUJFWSA-N 232.235 2.398 0 40 BEAB FC(F)(F)Sc1cncc(S)n1 96308624 FKKYXLYSVQOWSQ-UHFFFAOYSA-N 212.221 2.377 0 40 BEAB Cc1cccc2c1c([C@@H]1C[C@H]1N)cn2C 96509622 SBJWMBMJRQIITF-GXSJLCMTSA-N 200.285 2.301 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@H](CO)C1 191061023 YLGDVAQFCQCMOB-IHRRRGAJSA-N 223.360 2.293 0 40 BEAB Cc1c(F)cccc1N[C@@H]1CCC[C@H]1N 218882271 QKAYBOXPNVFHOI-ZYHUDNBSSA-N 208.280 2.426 0 40 BEAB CCn1ccc(CNc2cnn(CC)c2C)n1 256051392 IZIISYXFPOWMRY-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB O=C(O)C[C@H](CC(=O)c1ccc[nH]1)C(F)(F)F 256052589 NXXXGCHVPSSGSE-LURJTMIESA-N 249.188 2.241 0 40 BEAB CCn1nc(C(=O)Nc2cccc(C)c2)cc1N 408715240 AAYWIZVQNLEVAX-UHFFFAOYSA-N 244.298 2.046 0 40 BEAB c1cc2c(cc1[C@@H]1CCNCCS1)OCO2 618254164 KXKOJZBNHTUXRD-LBPRGKRZSA-N 237.324 2.183 0 40 BEAB CCCC(C)(C)C(=O)N1CCC2(CCN2)CC1 653165524 QNTJZVWZTAOEFY-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB c1ccc2c(c1)CCN(CC1CCNCC1)C2 4105 GUFTZAHBWSLXTM-UHFFFAOYSA-N 230.355 2.044 0 40 BEAB in-vitro Cc1ccn(C(=S)Nc2ccccc2)n1 115228 PFSVMBJGYWTABG-UHFFFAOYSA-N 217.297 2.437 0 40 BEAB COC(=O)c1ccccc1SCC(C)=O 161367 LXFGVTCWUZZPHD-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB Cc1cccc(C(=O)Nc2nnc(C)s2)c1 795796 OLBVOQDDJPPYPC-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=c1ccnc(SCc2cccc(F)c2)[nH]1 984111 FFZATPGRRFYYNG-UHFFFAOYSA-N 236.271 2.201 0 40 BEAB Cc1ccc(C)c([C@H](C)NC2=NCCO2)c1 2016943 BQZYSCMFDMDYNC-NSHDSACASA-N 218.300 2.340 0 40 BEAB CCOC(CNc1ccccc1)OCC 2510113 DHGUGEBXVGPRRD-UHFFFAOYSA-N 209.289 2.498 0 40 BEAB in-vitro O=S1(=O)Nc2ccccc2N1c1ccccc1 2524433 CAHZUOHVZCJZES-UHFFFAOYSA-N 246.291 2.495 0 40 BEAB Cc1sc2ncn3c(C)nnc3c2c1C 3267086 HTCPGZWIKPAMQF-UHFFFAOYSA-N 218.285 2.264 0 40 BEAB CCCCOC(=O)[C@@H]1COc2ccccc2O1 3290328 JDJZCBAJNHKBDS-LBPRGKRZSA-N 236.267 2.170 0 40 BEAB CCN[C@H](Cc1ccccc1)[C@@H]1CCCO1 4626713 DOFCLOLKFGSRTG-KGLIPLIRSA-N 219.328 2.386 0 40 BEAB in-man O=C(NC1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1 4908000 WYWOKTMOHGMQKP-PBWFPOADSA-N 244.338 2.090 0 40 BEAB O=C(Nc1ccncc1)c1noc2c1CCCC2 6403078 YZNPTEOEUOXGHQ-UHFFFAOYSA-N 243.266 2.201 0 40 BEAB O=S(=O)(NC1CCCC1)c1ccccc1F 7375626 VXBKPHKWEWRZBB-UHFFFAOYSA-N 243.303 2.047 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1cc(F)cc(F)c1 10021319 YGAOJDIAWNHGJP-ZETCQYMHSA-N 249.282 2.042 0 40 BEAB CCOC(=O)N1Cc2cc3ncccc3nc2C1 13213194 ZFRKGTBFCQTINT-UHFFFAOYSA-N 243.266 2.102 0 40 BEAB c1cncc([C@H]2NCCc3ccccc32)c1 19624618 PQUCZQQPRMLVLB-CQSZACIVSA-N 210.280 2.317 0 40 BEAB COc1ccc(CCNc2ccc(N)cn2)cc1 19961579 SZKNXOLFZWLYKY-UHFFFAOYSA-N 243.310 2.327 0 40 BEAB CC(=O)Nc1nc2c(s1)CCCCC2 21138218 CLXJBPBHHVGPMA-UHFFFAOYSA-N 210.302 2.370 0 40 BEAB C/C=C\C=C1\C=Cc2c(C(=O)OC)coc(=O)c21 31298172 RFUJEBHESHKXKW-YSXYLNKBSA-N 244.246 2.413 0 40 BEAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C 32752779 OHACVRCQXUWRTQ-UHFFFAOYSA-N 244.294 2.281 0 40 BEAB C[C@@H](N(C)C(=O)[C@@H]1CCCO1)C(C)(C)C 32788073 UOAHSSYILILMGF-ZJUUUORDSA-N 213.321 2.058 0 40 BEAB O=C(O)C12CC(c3ccc([N+](=O)[O-])cc3)(C1)C2 34117529 SUUIDKBFVRORLW-UHFFFAOYSA-N 233.223 2.101 0 40 BEAB CCOCCNc1ncnc2ccccc12 37715779 XTERMGBMYJBRJN-UHFFFAOYSA-N 217.272 2.078 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1NCc2ccccc21 39619932 PWIAGLNSTFLOOB-LLVKDONJSA-N 219.284 2.173 0 40 BEAB COCc1cccc(CNC(=O)CC(C)C)c1 40108428 JRNLNYOZKQWNGS-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB CCOc1ccc(-c2cc(CN)no2)cc1 40175383 RKYDMGAVBBXGRS-UHFFFAOYSA-N 218.256 2.199 0 40 BEAB Cc1cc(C)n(CCCNC(=O)C(C)(C)C)n1 40460767 QGHRBTROGHGRAR-UHFFFAOYSA-N 237.347 2.052 0 40 BEAB c1csc(CNc2ncnc3[nH]ncc23)c1 41123942 HAVMNUHLMCCZJR-UHFFFAOYSA-N 231.284 2.027 0 40 BEAB Cc1cc(NC(=O)Nc2ccncc2)no1 48954420 XSYDYBSLLIUQKA-UHFFFAOYSA-N 218.216 2.022 0 40 BEAB O=C(/C=C/c1ccccn1)NC(C1CC1)C1CC1 49221084 DTKVJSSUWHCFON-CMDGGOBGSA-N 242.322 2.400 0 40 BEAB CCc1ccccc1C(=O)CCC(=O)OC 52201675 FUZHKEMNKYYREQ-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB CC[C@H](O)Cc1cc(OC)ccc1OC 58002622 IVXXKJHTGUFCNK-JTQLQIEISA-N 210.273 2.017 0 40 BEAB CCN(CCN)Cc1ccc(SC)cc1 60054865 YJCUFGBSVBGHHX-UHFFFAOYSA-N 224.373 2.189 0 40 BEAB CC(C)S(=O)(=O)NC1CCCCCC1 70227799 ZESRNTJWOCETPR-UHFFFAOYSA-N 219.350 2.037 0 40 BEAB CCCCN(CC)C(=O)c1ccc2[nH]nnc2c1 71794574 DHNNNRZZJHZNPX-UHFFFAOYSA-N 246.314 2.220 0 40 BEAB COc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 80992901 QCFNIMQVJGKILK-CYBMUJFWSA-N 248.326 2.166 0 40 BEAB CC(C)CNc1ccc2nccnc2n1 82285437 QYNJYEDFFHBJFJ-UHFFFAOYSA-N 202.261 2.093 0 40 BEAB O=C1Nc2ccccc2N[C@@H]2CCC[C@H]12 82381670 YKYJANXYUWECMC-DTWKUNHWSA-N 202.257 2.219 0 40 BEAB N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 82826986 YPAVREJLUGPBDD-LLVKDONJSA-N 249.264 2.487 0 40 BEAB CCn1c([C@H](N)C(C)C)nc2cnccc21 84132487 GNRYAGHBJKSRMY-LLVKDONJSA-N 218.304 2.107 0 40 BEAB CC[C@@]1(O)CCN(Cc2ccccc2)C1 84369187 KYCYYTIPNGMWBT-CYBMUJFWSA-N 205.301 2.033 0 40 BEAB CC[C@](C)(O)CNC(=O)c1ccc(C)cc1F 94239562 STJDNTTXSNOXEL-ZDUSSCGKSA-N 239.290 2.025 0 40 BEAB FC(F)(F)c1cccc(OCC2OCCO2)c1 95733786 UXYUGCLGNSDGTG-UHFFFAOYSA-N 248.200 2.457 0 40 BEAB COc1cc(OC(F)(F)F)ccc1O 96304634 NEBBFLBBLLBVTB-UHFFFAOYSA-N 208.135 2.299 0 40 BEAB CCN(CCNC(=O)OC(C)(C)C)CC(C)C 97014757 VKCBCXBLWDFCIX-UHFFFAOYSA-N 244.379 2.489 0 40 BEAB CC[C@H](C)Nc1ccc(N2CCN(C)CC2)nc1 97037922 LYQRRSDCVUDALL-LBPRGKRZSA-N 248.374 2.044 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CNCCCn1ccnn1 97098877 DKALXIQHFOUXMQ-UONOGXRCSA-N 248.374 2.250 0 40 BEAB O=C(O)[C@@]1(C(F)(F)F)C[C@@H]2C=C[C@@H]1C2 103548789 IVQQRSCSISNRNA-ATRFCDNQSA-N 206.163 2.216 0 40 BEAB CCCCCN1C[C@@H]2C[C@H](CN[C@H]2C)C1 103710948 NRFXECJVXVXGFW-XQQFMLRXSA-N 210.365 2.106 0 40 BEAB COC(=O)c1sc(-c2ccccc2)nc1O 142476187 SEMROMMAINODMM-UHFFFAOYSA-N 235.264 2.302 0 40 BEAB NN[C@H](c1ccccc1)C(F)(F)C(F)(F)F 199538317 HJDISEBPMPWKGG-SSDOTTSWSA-N 240.175 2.389 0 40 BEAB CC(C)(OC(=O)n1ccnc1)C(F)(F)F 200309421 ROBFQGPOPSWVSY-UHFFFAOYSA-N 222.166 2.209 0 40 BEAB CC(C)O[C@@H](Cc1ccccc1F)C(=O)O 220490091 JKRRQNRFWNVNLH-NSHDSACASA-N 226.247 2.246 0 40 BEAB CC(C)(CN)N1CCCC[C@@H]1c1cccnc1 242495591 GKKSBTARADZFRW-CYBMUJFWSA-N 233.359 2.346 0 40 BEAB CC(C)(C)[C@H](O)COc1cccc(N)c1 256049652 AUKRJKRWORFBEH-LLVKDONJSA-N 209.289 2.055 0 40 BEAB Cc1ncccc1[C@@](C)(O)C(F)(F)F 256054426 WEZUNGUGTKHZET-MRVPVSSYSA-N 205.179 2.160 0 40 BEAB CCC[C@@H]1O[P@@](N)(=O)OC[C@@H]1CC 301054473 SQVIKHLRXOQWRH-UPFKWVMWSA-N 207.210 2.295 0 40 BEAB C[C@@H](NC(=O)C1CC1)c1nc2ccccc2[nH]1 552017 BNYUDMQYRNZQDS-MRVPVSSYSA-N 229.283 2.150 0 40 BEAB COC(OC)[C@@H](O)[C@H](C)CCC=C(C)C 1677796 KQXVQXGQCFOXHD-MNOVXSKESA-N 216.321 2.349 0 40 BEAB CN1c2ccccc2[C@@]2(C)CC(=O)O[C@@]12C 5173738 RPVZXOABUDPAMG-CHWSQXEVSA-N 217.268 2.057 0 40 BEAB O=C(O)c1cc(O)nc2ccc(Cl)cc12 5483246 AMYRRFUUZGORKF-UHFFFAOYSA-N 223.615 2.292 0 40 BEAB in-vitro Cc1cc(C(=O)N[C@H](C)c2ccccc2)on1 6738074 DOSQCCRQFRIHGZ-SNVBAGLBSA-N 230.267 2.474 0 40 BEAB NCc1ccc(COCC(F)(F)F)cc1 12505109 LTPONFIJNZHHJO-UHFFFAOYSA-N 219.206 2.224 0 40 BEAB in-vitro COC(=O)c1cccc(NC(=O)C2CCC2)c1 12976370 XFYYTNFFHUWJBK-UHFFFAOYSA-N 233.267 2.212 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1 13939016 UTOWMFMGBMRCDI-ZETCQYMHSA-N 249.282 2.042 0 40 BEAB CCC[C@@H](Oc1cccc(OC)c1)C(=O)O 15418135 USORPMCOQZGBRR-LLVKDONJSA-N 224.256 2.327 0 40 BEAB Cc1ccc(Cc2cc(=O)[nH]c(=S)[nH]2)cc1 17040584 UPBWGKSZFHAGPE-UHFFFAOYSA-N 232.308 2.332 0 40 BEAB O=c1[nH]c(=S)[nH]cc1OCc1ccccc1 18085982 XYJYTCCZTNWCRR-UHFFFAOYSA-N 234.280 2.011 0 40 BEAB in-vitro O=C(O)CCc1ccccc1OC(F)F 19802846 XRIPXSSYNOTFNW-UHFFFAOYSA-N 216.183 2.305 0 40 BEAB NC(=O)c1sc2c(N)cccc2c1Cl 20160104 ILFHBPLCQIYCPV-UHFFFAOYSA-N 226.688 2.236 0 40 BEAB CCC(CC)NCc1nnc2ccccn12 20185457 LPTNHFLCUYHJRE-UHFFFAOYSA-N 218.304 2.008 0 40 BEAB Nc1ccccc1-c1nc(C2CC2)no1 21017471 VWZAQYCQCYQYNB-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB in-vitro COC(=O)c1c(N)ccc(C)c1Br 22006396 SBCITSMTYQMGIN-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB O=C(NC1CC1)c1ccc2cc[nH]c2c1 32487996 SEAJIQKFINOEJT-UHFFFAOYSA-N 200.241 2.060 0 40 BEAB O=C(O)CCCCCOC(=O)c1ccccc1 34498647 ZMHVTFSCBAAXEW-UHFFFAOYSA-N 236.267 2.488 0 40 BEAB COC(=O)c1cc2ccc(N)cc2s1 34581882 XIUHYFQAAXIVBY-UHFFFAOYSA-N 207.254 2.270 0 40 BEAB C[C@H](Cc1cccs1)NC(=O)C1CC1 36392293 ZTNQZDVTISVNKZ-MRVPVSSYSA-N 209.314 2.205 0 40 BEAB Nc1ccnn1-c1ccc(Br)cc1 37245393 NDYDXWBWGGKTCD-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB CCN[C@H]1CCN(C(=O)OCc2ccccc2)C1 38418565 PAQAPNMIMNVLJD-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB COc1ccc(CNC(=O)CC(F)(F)F)cc1 43069942 NHHJQXCCKCXDHU-UHFFFAOYSA-N 247.216 2.264 0 40 BEAB CCN(Cc1ccc(C(N)=O)cc1)CC(C)C 46064925 KVGDUAJTIAZUIT-UHFFFAOYSA-N 234.343 2.263 0 40 BEAB CCOC(=O)c1cc(Cl)cnc1F 47202706 LBTWDGIYZVPNNN-UHFFFAOYSA-N 203.600 2.051 0 40 BEAB in-vitro Cc1nc(N)cc(Nc2ccccc2)n1 49467246 KABBFDPYWKIONC-UHFFFAOYSA-N 200.245 2.111 0 40 BEAB Cc1ccc(C(=O)N(C)Cc2cccnc2)cn1 55276484 XRBYPKJEWIJVAP-UHFFFAOYSA-N 241.294 2.057 0 40 BEAB Cc1nc(-c2cc(C(=O)O)co2)cs1 57218468 RIRGICPHIMIPQF-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB in-vitro CCO[C@@H](CNC)c1cc(OC)ccc1OC 62711544 MQULZARVIPALLP-ZDUSSCGKSA-N 239.315 2.001 0 40 BEAB C[C@@H]1C[C@@H](N)CN(Cc2ccccc2)[C@@H]1C 68593184 NVIRYIHNKWLTFW-YRGRVCCFSA-N 218.344 2.244 0 40 BEAB CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccccc1 69493084 ZPCYUQCSVNTKTK-HUUCEWRRSA-N 248.370 2.058 0 40 BEAB C[C@](C(=O)O)(c1cccs1)N1CCCC1 70453225 WVTPVDNRXHFRSE-LLVKDONJSA-N 225.313 2.144 0 40 BEAB COc1ccc(-c2cc(N)ccn2)cc1 72191771 QJMIYFPLCWCXQB-UHFFFAOYSA-N 200.241 2.339 0 40 BEAB CCCn1cc(CNc2ccccn2)cn1 72226474 XDGOHXIAWDCBTJ-UHFFFAOYSA-N 216.288 2.300 0 40 BEAB C1CCC(CN2CCn3c(nnc3C3CC3)C2)C1 72268388 BSSIANSSDLAHSD-UHFFFAOYSA-N 246.358 2.161 0 40 BEAB COc1cc(N)ccc1OCC1CCC1 83837899 YGDIQFXXQCGPTB-UHFFFAOYSA-N 207.273 2.456 0 40 BEAB CCCN(CCC)CCSC[C@H](C)CO 96010435 OIGBNZZLMQQDSA-GFCCVEGCSA-N 233.421 2.470 0 40 BEAB O=C(O[C@H]1C=CCC1)c1ccn2cncc2c1 96500269 HVZFNIRBHTZBIB-LBPRGKRZSA-N 228.251 2.210 0 40 BEAB CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)O)o1 97020126 CULVGIKEFCRFHK-JGVFFNPUSA-N 239.271 2.142 0 40 BEAB OC1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 100464453 ACJRQBSQRDKBHB-KBPBESRZSA-N 231.339 2.279 0 40 BEAB in-vitro NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H]3[C@@H]3[C@@H]2[C@@H]13 101046534 LSSIKEHYDUXQLY-ZMIZWEQZSA-N 225.291 2.252 0 40 BEAB Cc1cccc(CNC(=O)c2coc(C)n2)c1 186878134 ZCUKOCPSORKRBB-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB Cc1cc(CSC[C@H](O)C(F)(F)F)no1 191098745 HPSFBAFTSRZPMD-ZETCQYMHSA-N 241.234 2.139 0 40 BEAB C[C@@H](C1CC1)n1cc2c(n1)C[C@@H]1CC[C@@H]2N1 216546493 VDOFOLSTKIOEDA-PEXQALLHSA-N 217.316 2.203 0 40 BEAB C[C@@H](SCC(C)(C)C)C(=O)N(C)C 225640758 DFNKJUQTBPCTTI-MRVPVSSYSA-N 203.351 2.242 0 40 BEAB c1cc([C@@H]2CCCCN2CC2CCOCC2)n[nH]1 257290696 QDZIVYFOCCMNDA-AWEZNQCLSA-N 249.358 2.363 0 40 BEAB CC(C)(O)Cn1c(N)nc2ccc(Cl)cc21 675081832 OSXIVUKUZDTAPI-UHFFFAOYSA-N 239.706 2.043 0 40 BEAB CSc1cc(N)c(N)cc1Br 888088144 UVQLXOIPSPNDSX-UHFFFAOYSA-N 233.134 2.335 0 40 BEAB c1nnc(CN2CCCC23CCC3)s1 1354710910 BILUTJFFPLUBLH-UHFFFAOYSA-N 209.318 2.057 0 40 BEAB Cc1cc(=O)n(-c2ccc(F)c(Cl)c2)[nH]1 316587 AFXYVJMUGCUDEY-UHFFFAOYSA-N 226.638 2.267 0 40 BEAB CCOC(=O)c1c(C)csc1NC(C)=O 478267 ZHBROGDSPSWMPO-UHFFFAOYSA-N 227.285 2.192 0 40 BEAB O=C1CC[C@@H]2c3ccccc3C(=O)[C@H]2C1 1644710 YPLQPADQPYWZNG-PWSUYJOCSA-N 200.237 2.336 0 40 BEAB COc1cc(C(C)=O)ccc1Oc1cnccn1 3415687 JKBSUBQSPMHTQN-UHFFFAOYSA-N 244.250 2.480 0 40 BEAB Cc1ccc(C)c(S[C@@H](C)C(N)=O)c1 3499246 QKTMMDKRXKNHSN-VIFPVBQESA-N 209.314 2.269 0 40 BEAB COc1ccc2c(c1)CCc1c[nH]nc1-2 4002386 YUWNNFSRQHLLLG-UHFFFAOYSA-N 200.241 2.184 0 40 BEAB C/C(NCCc1ccccc1)=C1/CCOC1=O 4771402 DDGZHQCGFGOVJG-ACCUITESSA-N 231.295 2.040 0 40 BEAB CCOP(=O)(CC1OCCCO1)OCC 5663158 FUGGTGAAEQGATH-UHFFFAOYSA-N 238.220 2.016 0 40 BEAB CCCc1nnc2sc(-c3ccco3)nn12 6719519 BEYNVURUARSMGU-UHFFFAOYSA-N 234.284 2.398 0 40 BEAB COc1c(C)cc(-c2cc(C(=O)O)n[nH]2)cc1C 6849002 SKPBEHUHVBALDU-UHFFFAOYSA-N 246.266 2.400 0 40 BEAB O=c1ccnc(Nc2ccc(Cl)cc2)[nH]1 8613703 MEUBCTJJRTXLLI-UHFFFAOYSA-N 221.647 2.167 0 40 BEAB COC(=O)c1cccc(-n2cccc2C=O)c1 8701945 ZEDIMIWDNJGXIL-UHFFFAOYSA-N 229.235 2.076 0 40 BEAB in-vitro Cc1cc(-c2nn3c(C(C)C)nnc3s2)[nH]n1 15109542 UVQMKQBGJQVISM-UHFFFAOYSA-N 248.315 2.008 0 40 BEAB Cc1cc(C)n(-c2ccc(C(=O)O)cc2F)n1 20080228 BWDANXPJRCVMOB-UHFFFAOYSA-N 234.230 2.326 0 40 BEAB in-vitro Cc1ccc(NC(=O)c2ccncc2)c(N)c1 20344221 KENWCTRWCCUEKA-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cn1ccnc1[C@@H](O)c1ccc(Cl)cc1 22115151 RTEQGPTVSNWJNT-JTQLQIEISA-N 222.675 2.155 0 40 BEAB CC1(C)[C@@H](C(N)=O)[C@@H]1C=C(Cl)Cl 27989618 LGLPSKCJXYYLMZ-UJURSFKZSA-N 208.088 2.063 0 40 BEAB CC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 32010171 PELHIDUSZKOBNI-OLZOCXBDSA-N 203.285 2.445 0 40 BEAB COc1ncccc1CNc1cc(C)nc(C)n1 32779278 AHEIKEISNFURQT-UHFFFAOYSA-N 244.298 2.109 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(O)c1 33028972 ROFVSPPLKSBBHZ-DTWKUNHWSA-N 205.257 2.295 0 40 BEAB C[C@@H](NS(C)(=O)=O)c1ccc2ccccc2c1 33911377 SQONEYZPUOJMIJ-SNVBAGLBSA-N 249.335 2.450 0 40 BEAB O=C1c2ccccc2C(=O)N1O[C@H]1C=CCCC1 34092494 QXFTXVXMRKJENL-JTQLQIEISA-N 243.262 2.323 0 40 BEAB CC(C)[C@]12C=CC=CC1=NC=C2CCO 36377994 NQZYLESITKLIBQ-ZDUSSCGKSA-N 203.285 2.476 0 40 BEAB CCOC(=O)[C@H](CC)NCc1ccccc1 37952734 IZWBJQAUJRUHLC-LBPRGKRZSA-N 221.300 2.118 0 40 BEAB CC(C)OCCCNC(=O)Nc1ccccn1 43061802 YGTRUGGQHCTVHU-UHFFFAOYSA-N 237.303 2.018 0 40 BEAB COc1ccc(C)cc1Nc1cc(C)nc(N)n1 49468268 INVGKMHKYGJNRZ-UHFFFAOYSA-N 244.298 2.428 0 40 BEAB CCC[C@@H](C)C(=O)Nc1ccc(OC)nc1 49909417 VAQFFWKXCSKGGB-SECBINFHSA-N 222.288 2.465 0 40 BEAB O=C(O)c1ccc(OC2CCOCC2)c(F)c1 54553655 VUIVEVYWYVDVSW-UHFFFAOYSA-N 240.230 2.082 0 40 BEAB CNC[C@@H]1C[C@@H]1c1cc(OC)cc(OC)c1 54588817 LQSNQLIZJGAFQO-GXFFZTMASA-N 221.300 2.027 0 40 BEAB CCn1c(-c2nccnc2N)nc2ccccc21 63215943 XCQQUURKPJILPQ-UHFFFAOYSA-N 239.282 2.095 0 40 BEAB COc1ccc(N(C)C(=O)C[C@H]2C=CCC2)cn1 65741156 SQOCPHHKGGPEDE-NSHDSACASA-N 246.310 2.409 0 40 BEAB C[C@@H]1CN(Cc2c(F)cccc2Cl)CCN1 71556751 HDQPNNKJJLNBEJ-SECBINFHSA-N 242.725 2.273 0 40 BEAB N[C@H]1CCc2c([nH]c3ccc(F)cc23)C1 74205431 UATQZSAVSKJWPR-QMMMGPOBSA-N 204.248 2.123 0 40 BEAB O=C(c1ccc[nH]1)N1CCC[C@H]1c1cccnc1 78568214 XCKNDTXXBCXNRG-ZDUSSCGKSA-N 241.294 2.387 0 40 BEAB C[C@H]1CCN(C(N)=O)[C@@H]1c1cccc(F)c1 81674360 PLCNIXHLUKKDQB-KWQFWETISA-N 222.263 2.287 0 40 BEAB O=c1c2c(cnn1C1CCCCC1)NCCC2 95098004 XTRVFMIPDLGCRE-UHFFFAOYSA-N 233.315 2.107 0 40 BEAB CNC(=O)C(C)(C)CNC1CCCCCCC1 95462765 AWMVYFPMSUGHPK-UHFFFAOYSA-N 240.391 2.461 0 40 BEAB CCc1sc(Cl)nc1C(=O)OC 95643195 INNRHBUYGJHSGL-UHFFFAOYSA-N 205.666 2.146 0 40 BEAB Cc1ccoc1C(=O)N1CC[C@H]2O[C@@H](C)C[C@H]2C1 96066464 AEBXRYRESWCADG-SDDRHHMPSA-N 249.310 2.228 0 40 BEAB O=C(O)[C@H]1CCc2ccccc2N1CC1CC1 96510396 SKGHRIZPRKMFMF-CYBMUJFWSA-N 231.295 2.302 0 40 BEAB CCNC[C@H]1CC[C@H](CC(=O)OCC)CC1 100184472 LXJAWXNHIKYGQN-TXEJJXNPSA-N 227.348 2.356 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCSCC1 103270094 IEWKTUUCEPZJCM-SDDRHHMPSA-N 239.384 2.388 0 40 BEAB COc1c(C)cc(C(=O)O)cc1Cl 107190216 KJSJNKWUQVKXKC-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB O=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CNC2 107261767 JQCUGXFFWMSVLO-UWVGGRQHSA-N 248.301 2.010 0 40 BEAB C#CCNc1nc(Cl)ncc1C(F)(F)F 144397192 DUHDFYWGZLGUMK-UHFFFAOYSA-N 235.596 2.194 0 40 BEAB CCn1c(C)c(C=O)c2cc(O)ccc21 217769023 KATWYJAUSDFXEG-UHFFFAOYSA-N 203.241 2.488 0 40 BEAB C[C@H](N[C@@H]1CCC[C@@H]1N)c1ccccc1 218886523 VJNYIIHZUKMQSU-WCFLWFBJSA-N 204.317 2.217 0 40 BEAB N=C(N)Cc1ccc(C(F)(F)F)cc1F 228969087 RYIJQMLVQSZHSF-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB COc1cccc(CNc2nn(C)cc2C)c1 256053430 RLVDEJUAAYMMHY-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CC(C)(C)OC(=O)N1C=C(F)C(O)=CC1 521825368 OSMLOYALBWGHDP-UHFFFAOYSA-N 215.224 2.490 0 40 BEAB Cc1cccc(OCC2CCOCC2)n1 546179539 WAIRDHQGMPQKKN-UHFFFAOYSA-N 207.273 2.195 0 40 BEAB COc1nc(C)cc(N[C@H](C)c2ncc(C)o2)n1 680626172 UEVJWMOMAJIPPD-SECBINFHSA-N 248.286 2.263 0 40 BEAB O[C@H](CCNc1ncc(F)cn1)c1ccccc1 746703269 YKOOZDWIAIVZRI-GFCCVEGCSA-N 247.273 2.151 0 40 BEAB Cc1nc(C)c(CO[C@@H]2CCOC2)s1 1888847490 KCLIKNXVOGULPW-SECBINFHSA-N 213.302 2.065 0 40 BEAB COC(=O)[C@H](CC(C)=O)c1c[nH]c2ccccc12 50873 KNAGWGRXAMMVKN-LLVKDONJSA-N 245.278 2.404 0 40 BEAB biogenic CC1(C)CC(NCc2cccnc2)CC(C)(C)N1 798146 XOAGOZCLOXAUSV-UHFFFAOYSA-N 247.386 2.480 0 40 BEAB CC1(C)[C@H](CC(=O)O)CCC[C@@H]1CC(=O)O 1689112 MKHBBZDYDZDXPP-DTORHVGOSA-N 228.288 2.378 0 40 BEAB in-vitro CCCCCCOC(=O)O[C@@H](C)C(=O)OC 1698693 UATKRHGOBTZXKC-VIFPVBQESA-N 232.276 2.281 0 40 BEAB CCO[P@]1(=O)OC(C)(C)C[C@@]1(C)O 2007422 GTQYAZQCUFLOCL-SDBXPKJASA-N 208.194 2.123 0 40 BEAB CCN(CC)Cc1c(N)c2ccccc2oc1=O 3850678 NZBSJUAJWQXGPM-UHFFFAOYSA-N 246.310 2.217 0 40 BEAB biogenic COC(=O)/C=C/c1ccc2c(c1)CCC2=O 3866591 KWCGXIXJBWJJJK-XVNBXDOJSA-N 216.236 2.002 0 40 BEAB O=C1N=NC(=S)N1Cc1ccccc1 4721627 ZGLVLRJSFJHQLE-UHFFFAOYSA-N 205.242 2.359 0 40 BEAB O=C(O)Cn1c2c(c3ccccc31)CCC2 4992681 GVLJHJVOVQMKLI-UHFFFAOYSA-N 215.252 2.215 0 40 BEAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)C)c1 8051250 UNVOSJQEWKMKOK-NSHDSACASA-N 221.300 2.159 0 40 BEAB O=C(C[C@H](O)c1ccncc1)c1ccccc1O 8617763 JIBFZVZYHKPKKW-ZDUSSCGKSA-N 243.262 2.094 0 40 BEAB Cc1cccc(N2[C@H](C)CNC[C@H]2C)c1C 11632627 HZBPUJQEOWGYGS-VXGBXAGGSA-N 218.344 2.490 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)cc1 12979449 VBUJCSMOXICNDW-JOYOIKCWSA-N 221.275 2.440 0 40 BEAB CC(=O)CCSc1nnc(-c2ccc[nH]2)o1 18363738 RJZMIOQCLXVPEA-UHFFFAOYSA-N 237.284 2.136 0 40 BEAB Cc1ccc(-c2nnsc2C(=O)O)cc1 22124019 XNIHZVABIIDMFE-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB O=C(O)c1cccc(OCc2cccnc2)c1 22170843 MOEOUPZPWRMGFV-UHFFFAOYSA-N 229.235 2.359 0 40 BEAB in-vitro C[C@@H](c1ccccc1)N1CCCNCC1 22465947 AXRZFZYEBYREDU-LBPRGKRZSA-N 204.317 2.043 0 40 BEAB O=c1ccc(-c2ccc(C(F)(F)F)cc2)n[nH]1 26420412 YEBBWXGZJQAPLH-UHFFFAOYSA-N 240.184 2.456 0 40 BEAB CCN(CC)c1ccc(C(=O)COC(C)=O)cc1 35086935 FVJJTBMRQLWBQG-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB CNC(=O)c1cc(Br)cn1C(C)C 36858137 BCPUJHJBLSMIPF-UHFFFAOYSA-N 245.120 2.191 0 40 BEAB C[C@@H]1C[C@@H](Sc2nccn2C2CC2)C(=O)O1 40489850 UQKIMSPKGOXMOV-VXNVDRBHSA-N 238.312 2.014 0 40 BEAB Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 41045911 WLUQKEUGNJBYRE-MRVPVSSYSA-N 227.691 2.338 0 40 BEAB COc1c(O)cc(F)cc1Br 42750087 MAQVYNOUTGTGOD-UHFFFAOYSA-N 221.025 2.302 0 40 BEAB in-vitro O=C(O)c1cnn(-c2nc3ccccc3s2)c1 43299382 GPDXAFQTIUVEEW-UHFFFAOYSA-N 245.263 2.180 0 40 BEAB C[C@@H](C(=O)O)[C@H](N)c1ccc(Cl)cc1 44396306 AXYXMBPSIPRCSF-MUWHJKNJSA-N 213.664 2.061 0 40 BEAB Cc1ccc(F)c(NCc2ncc[nH]2)c1 49714792 PKPACCHOAGSAPZ-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB CCCNC(=O)[C@H](C)Sc1nc(C)c(C)o1 58760708 HBHAUOODULNNAI-VIFPVBQESA-N 242.344 2.298 0 40 BEAB Nc1nc(Cl)c(Br)s1 59849167 LUUVFXGAESZXIO-UHFFFAOYSA-N 213.487 2.141 0 40 BEAB CCN1C(=O)N(c2ccccc2)C(=O)C1(C)C 61151763 OYXOJWDXXRJZRX-UHFFFAOYSA-N 232.283 2.254 0 40 BEAB Cc1csc2c(O)nc(Cl)nc12 66055042 PIGZFACYQCNGHF-UHFFFAOYSA-N 200.650 2.359 0 40 BEAB C[C@H]1C[C@@H]1NC(=O)c1ccc(OCC2CC2)nc1 72094945 GPFOJYWBQSDTJK-CABZTGNLSA-N 246.310 2.009 0 40 BEAB Cc1ccnc([C@H]2CCCCN2C=O)c1 72211218 CMZAWGUNQYCVOT-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB Cc1nc([C@H]2CCCCN2C(=O)C2CCC2)no1 72381799 IPVCUFHHBSTFGF-LLVKDONJSA-N 249.314 2.232 0 40 BEAB CC(C)(C)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 76022338 ZZVMUOBSQJRUNO-GHMZBOCLSA-N 207.317 2.457 0 40 BEAB COc1ccc(OC)c(C2([C@H](C)O)CC2)c1 84420464 MQVGEELVCJPFEA-VIFPVBQESA-N 222.284 2.116 0 40 BEAB c1csc(-c2nc(-c3cnccn3)no2)c1 84512243 JKBSNIXUKWSMRN-UHFFFAOYSA-N 230.252 2.255 0 40 BEAB O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccsc1 85333354 ZNUAXQOWGPQKAG-KGLIPLIRSA-N 245.347 2.496 0 40 BEAB CCc1ccc([C@H](C)NCCc2nc(C)no2)o1 89518421 HEQUJWHRVHFUGS-VIFPVBQESA-N 249.314 2.427 0 40 BEAB c1cn(-c2ccc(NCc3cc[nH]n3)cc2)cn1 89793154 UCHFGZOUDUVFFU-UHFFFAOYSA-N 239.282 2.208 0 40 BEAB C[C@@H](NCc1nnc2n1CCCCC2)C1(C)CC1 95419397 ZJVMIKAMNHTRJN-LLVKDONJSA-N 248.374 2.283 0 40 BEAB N[C@@H]1CCCC[C@H]1NCc1ccccc1 95775690 LATNVBUKYCPGPI-CHWSQXEVSA-N 204.317 2.046 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3cccnc3)C[C@H]2O1 96062535 HJBJNYMZAUZJMZ-FPMFFAJLSA-N 232.327 2.081 0 40 BEAB COCCSCc1ccsc1C(=O)OC 96465977 HKAGOFZTDMIHET-UHFFFAOYSA-N 246.353 2.414 0 40 BEAB C[C@H]1C[C@@H](NCCC[S@](C)=O)CC[C@H]1C 97146617 QIUFNXKGQNULCG-OXJKWZBOSA-N 231.405 2.169 0 40 BEAB CC1=CCC[C@@H](C)[C@H]1CN1CC[C@@H](O)C1 191046598 FOLWJPWTGNESSN-UPJWGTAASA-N 209.333 2.045 0 40 BEAB CCCC[C@H](C)C(=O)N1CC(C(C)(C)O)C1 225736456 WQVSPWGKOBIQSE-JTQLQIEISA-N 227.348 2.042 0 40 BEAB C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1O 253396649 BBHRTIFJOOBMSJ-NOZJJQNGSA-N 241.281 2.168 0 40 BEAB c1cncc(-c2ccc(C3CNC3)cc2)c1 382531674 ANBIKIGLSCIMDY-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB O=C(C1CC1)N1CC[C@H](c2cccs2)C1 827907427 WVVDOLWCUKEYLX-JTQLQIEISA-N 221.325 2.474 0 40 BEAB Cc1cccc(C(=O)O[C@@H]2CCCN(C)C2)c1 535708 YARMLGABVFENDX-CYBMUJFWSA-N 233.311 2.246 0 40 BEAB [O-][n+]1ccccc1SC1=COCCC1 1443680 YZOYLSSBAQLSSS-UHFFFAOYSA-N 209.270 2.064 0 40 BEAB COC(OC)[C@H](O)[C@H](C)CCC=C(C)C 1677798 KQXVQXGQCFOXHD-GHMZBOCLSA-N 216.321 2.349 0 40 BEAB CC(C)(O)[C@@](C)(O)c1ccc(Cl)cc1 2041240 HTYIXCKSEQQCJO-NSHDSACASA-N 214.692 2.318 0 40 BEAB in-man CCN(CC)C(=O)c1c(OC)cccc1OC 3193155 SIFNQRPEWNVAJE-UHFFFAOYSA-N 237.299 2.186 0 40 BEAB O=C(O)[C@H]1[C@H]2C=C3CCc4cccc(c43)[C@@H]12 4532622 SFWSQHBBVROHCX-UHTWSYAYSA-N 212.248 2.444 0 40 BEAB Cc1c(C=O)cnn1Cc1ccccc1 4552582 RXFUVCOXOVBENJ-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB in-vitro CCn1c(-c2nn(C)cc2Cl)n[nH]c1=S 6519996 COKQJJWRZPSSLN-UHFFFAOYSA-N 243.723 2.014 0 40 BEAB N=C(NO)c1cccc(C(F)(F)F)c1F 6862813 MBRYJYWDJZBQKJ-UHFFFAOYSA-N 222.141 2.149 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 12906103 LVMKFVMSABFWRQ-MRVPVSSYSA-N 248.282 2.002 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 13019329 ZTPCUNRIPJRXME-ZWNOBZJWSA-N 242.322 2.483 0 40 BEAB CCCNC(=O)c1cccc2ncccc12 14264623 WXVWXQBNTMLUOK-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB c1cnc(SCc2ccncc2)nc1 16546075 WFFIXZNLHHUGAV-UHFFFAOYSA-N 203.270 2.164 0 40 BEAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1 19288568 KOEIVZDNPNYLIH-VIFPVBQESA-N 213.712 2.278 0 40 BEAB Cc1ccc(NC(=O)c2ccncc2)cc1N 19427145 MVDLFTNAFBNWGH-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cn1cc(CNCc2ccc(Cl)cc2)cn1 20209908 ABBTVAABEMTFDY-UHFFFAOYSA-N 235.718 2.363 0 40 BEAB in-vitro Cc1cc(Br)ccc1NCC(=O)O 20376387 VLQCUVXTNBDRRF-UHFFFAOYSA-N 244.088 2.254 0 40 BEAB COc1cccc(CN[C@H]2CCCC[C@@H]2O)c1 21998201 KITNMKPUMWTLPQ-KBPBESRZSA-N 235.327 2.088 0 40 BEAB O=C(Nc1ncccc1O)c1ccc(Cl)o1 22276393 OULRESAJVZGNRK-UHFFFAOYSA-N 238.630 2.286 0 40 BEAB Nc1cnn(-c2ccccc2)c1C(F)(F)F 33359137 JKUJRUFZOBDQMP-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro NC[C@H](N)c1ccc(OCc2ccccc2)cc1 35677083 NWFCYTZWYNFJAU-HNNXBMFYSA-N 242.322 2.224 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2ccc(C)c(C)c21 36720809 JIFGQIIVIYHKJH-UHFFFAOYSA-N 245.278 2.336 0 40 BEAB CCC[C@H](N)CN1CCc2ccccc2C1 36873556 RNWQPGKHRUODNT-AWEZNQCLSA-N 218.344 2.172 0 40 BEAB COC(=O)c1ccccc1NCc1cccnc1 36891402 VXNNDQUODQPVGP-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB C[C@H](N)[C@H](c1ccccc1)N1CCCC1 38338638 CNACIQJCVBJSFL-WCQYABFASA-N 204.317 2.171 0 40 BEAB C[C@H]1CCCCN1C(=O)c1ccnc(N(C)C)c1 40088443 MOVMAPLYZGGFCV-NSHDSACASA-N 247.342 2.162 0 40 BEAB c1ccc2sc(N[C@@H]3CCCNC3)nc2c1 40434213 RFCWVOGYAWHRIK-SECBINFHSA-N 233.340 2.460 0 40 BEAB CCCc1n[nH]c(-c2cccc(N(C)C)c2)n1 41161017 ZDFIYVGQXRGDDY-UHFFFAOYSA-N 230.315 2.490 0 40 BEAB CN(C)[C@@H](CO)c1ccc(Br)cc1 41289836 OIJVEXUHXYKDPI-JTQLQIEISA-N 244.132 2.044 0 40 BEAB CN(C)[C@H](CO)c1ccc(Br)cc1 41289838 OIJVEXUHXYKDPI-SNVBAGLBSA-N 244.132 2.044 0 40 BEAB Cc1nc2ccccc2n1C[C@H]1CCCCN1 43494156 XXIKFPWBJCKTQX-GFCCVEGCSA-N 229.327 2.487 0 40 BEAB CCCS(=O)(=O)Nc1cc(C)ccc1C 45929242 BDFSSHOWLQGHAF-UHFFFAOYSA-N 227.329 2.455 0 40 BEAB O[C@H](c1ccc(F)c(F)c1)c1ccccn1 55237204 FAIHCJRBCWCDOH-GFCCVEGCSA-N 221.206 2.442 0 40 BEAB CCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 57464771 ZODXDINLKXMRFF-GARJFASQSA-N 233.377 2.141 0 40 BEAB CS[C@H]1CCN(C(=O)OC(C)(C)C)C1 64034365 RFFVIHRYBTXYFL-QMMMGPOBSA-N 217.334 2.359 0 40 BEAB CC(C)C[C@](C)(N)CNC(=O)OC(C)(C)C 68591682 BUGRYVLNFRVTKG-LBPRGKRZSA-N 230.352 2.275 0 40 BEAB in-vitro O=C(NCc1cccc(F)c1)c1ccco1 70250810 SBZASVKGMUYQHH-UHFFFAOYSA-N 219.215 2.349 0 40 BEAB CCOC(=O)C1CCN(c2ccncc2C)CC1 70489848 NFBWHBFQYFIHIE-UHFFFAOYSA-N 248.326 2.170 0 40 BEAB in-vitro Nc1sc(-c2ccncc2)cc1C(=O)O 72207299 ZTCBEQREBSKZPR-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB Cc1cc(CNC2CSC2)ccc1F 75135841 KLKTUENLSVCVQI-UHFFFAOYSA-N 211.305 2.339 0 40 BEAB Cc1nc2cc(C(=O)O)c(Cl)cc2[nH]1 82373899 UZVSJERANHGMNG-UHFFFAOYSA-N 210.620 2.223 0 40 BEAB COC(=O)[C@@]1(C)O[C@@]1(C)c1ccc(C)s1 85657906 KYRMNCDKAOXDCD-WDEREUQCSA-N 226.297 2.234 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCCN[C@@H]2C)cc1C 91496244 POKZXIDCWSUYOX-TZMCWYRMSA-N 246.354 2.174 0 40 BEAB COCCSCc1cnn(-c2ccccc2)n1 95404314 TXAKUNSJVQAYIC-UHFFFAOYSA-N 249.339 2.147 0 40 BEAB COc1ccc(-c2nc([C@@H](N)C(C)C)n[nH]2)cc1 95534704 BUMDASOMVPGRGW-NSHDSACASA-N 246.314 2.136 0 40 BEAB CC(C)(O)Cc1cc(F)c(F)c(F)c1 95729073 IUQNIUBPNKQWBR-UHFFFAOYSA-N 204.191 2.417 0 40 BEAB COC(=O)CCCC(=O)c1cccc(F)c1 95729475 RXPMNCMTUDOWTL-UHFFFAOYSA-N 224.231 2.352 0 40 BEAB CCOC(=O)Cc1ccnc(Cl)c1C 95763961 KCWTZOKIHZDDBV-UHFFFAOYSA-N 213.664 2.149 0 40 BEAB COC(C)(C)C(=O)Nc1ccc(O)c(Cl)c1 96004001 XPOVHAJXXJSXSG-UHFFFAOYSA-N 243.690 2.409 0 40 BEAB COc1cc2c(cc1/C=C/C(=O)O)CCC2 96288858 VURUNEWQQXUTQI-AATRIKPKSA-N 218.252 2.282 0 40 BEAB CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 98009143 QKLHITRRUYLHSF-UHFFFAOYSA-N 241.356 2.380 0 40 BEAB C[C@@]12CCCC[C@](C)(CC1)S2(=O)=O 101036700 SJBAUIMWJAJXOX-NXEZZACHSA-N 202.319 2.286 0 40 BEAB CCOC(=O)[C@@H](CC)SC[C@H]1CCN(C)C1 194542873 ULEQCGSQZDXPRV-WDEREUQCSA-N 245.388 2.013 0 40 BEAB N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 199548542 ZXBLFXOIZZZBHD-LLVKDONJSA-N 244.260 2.152 0 40 BEAB in-vitro CO[C@@H](Cc1ccc(Cl)cc1C)C(=O)O 225075715 ODHUJADCWRNHEB-JTQLQIEISA-N 228.675 2.291 0 40 BEAB O=C(C1CC(F)(F)C1)N1CCCCCC1 336349493 DJFGQFSXCMTKJI-UHFFFAOYSA-N 217.259 2.434 0 40 BEAB COCC(=O)NCc1ccc(-c2ccoc2)cc1 390830652 MLORLJNQMQMFCR-UHFFFAOYSA-N 245.278 2.209 0 40 BEAB Oc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 1565520695 GWTRENHHQKWRBS-RYUDHWBXSA-N 208.257 2.075 0 40 BEAB Cc1nnc2n1N=C(c1ccc(F)cc1)CS2 93568 NLRRVVSMTCYRPX-UHFFFAOYSA-N 248.286 2.084 0 40 BEAB CNC(=O)Nc1cccc(-c2ccnc(C)n2)c1 96471 AEADJOBCASCCHA-UHFFFAOYSA-N 242.282 2.203 0 40 BEAB CC(C)Sc1nnc(-c2ccccc2)n1N 1393167 OBNPFNIABZIFCB-UHFFFAOYSA-N 234.328 2.159 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1NC(=O)C(C)(C)C 1575937 PAGXYRNLMYESJF-NXEZZACHSA-N 212.337 2.327 0 40 BEAB CCN(CC)c1cc(Cl)c2nonc2c1N 2324051 GIVHJKBAXPVFGA-UHFFFAOYSA-N 240.694 2.305 0 40 BEAB CC(=O)N1C[C@@H](C)C(=S)Nc2ccccc21 4127469 SEKLLXUEKZGXLL-MRVPVSSYSA-N 234.324 2.429 0 40 BEAB O=C(NCCc1ccccn1)c1ccccc1 4185264 POIFKAIWAMHITC-UHFFFAOYSA-N 226.279 2.054 0 40 BEAB O=C(O)c1ccc2c(c1)nc1ccccn12 4622495 TUXUHJDICRXWMC-UHFFFAOYSA-N 212.208 2.186 0 40 BEAB CC(=O)Oc1ccc2c3c1CCCN3CCC2 4830490 BQVOHHIOCPSIHO-UHFFFAOYSA-N 231.295 2.311 0 40 BEAB Cc1ccc(C)c(C2=NN(C)C(=O)CC2)c1 5542421 SUIQCSBHLGBQEM-UHFFFAOYSA-N 216.284 2.260 0 40 BEAB C[C@@]1(C(=O)N2CCCC2)CC1(Cl)Cl 6268526 WHCVBXWCWCPIOV-QMMMGPOBSA-N 222.115 2.193 0 40 BEAB COc1ccc([C@@H](C)NC(=O)C2CC2)cc1F 7076296 SYGXWJBLZQSADD-MRVPVSSYSA-N 237.274 2.422 0 40 BEAB COc1ccccc1[C@@H]1CC(=O)c2cn[nH]c2C1 8021455 KPFSAIVYJYMCTJ-VIFPVBQESA-N 242.278 2.331 0 40 BEAB CC(C)CCSc1ncnc2[nH]cnc12 8581279 ZPMSQEDAXZBAEI-UHFFFAOYSA-N 222.317 2.491 0 40 BEAB CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)O 8624942 ZNJFBWYDHIGLCU-FCVPOFOPSA-N 210.273 2.413 0 40 BEAB in-vitro CCN(CC)C(=O)c1cc(N)ccc1Cl 8732444 WSTFKVURCLYFNU-UHFFFAOYSA-N 226.707 2.404 0 40 BEAB NC(=O)CNc1ccccc1Oc1ccccc1 9218676 YZDQVVCNNJDVBC-UHFFFAOYSA-N 242.278 2.376 0 40 BEAB Nc1cncc(-c2nc3ccccc3o2)c1 10010677 JOGKEHQTKWQOJF-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB Cc1cccc(C(=O)NCCCN2CCCC2)c1 13668476 BYYMPOHSEYAJQW-UHFFFAOYSA-N 246.354 2.211 0 40 BEAB CCNC(=O)Nc1c(F)cccc1F 19075100 ROEZRFNFBCPZJD-UHFFFAOYSA-N 200.188 2.106 0 40 BEAB NCc1ccc(OCc2ccccn2)cc1 20352293 MOGOVNPLJXJTQM-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB COc1cc(CNc2cc(C)n(C)n2)ccc1O 20352803 SSQOHRCQJKCIHF-UHFFFAOYSA-N 247.298 2.055 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)N)c1 20594411 SCBRMCDRXPTYCI-BZHVJNSISA-N 221.300 2.155 0 40 BEAB Cc1ccc([C@@H](CN)N2C[C@H](C)O[C@H](C)C2)cc1 22166922 JIDRSRYRCNYOIG-VNHYZAJKSA-N 248.370 2.104 0 40 BEAB NCc1ccc(Oc2cccc(F)c2)nc1 22212839 VQTISCPGKVTBMU-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro O=C(NCC[C@H]1CCCO1)NCc1ccccc1 25236733 UMBDXVFHHGEBAV-CYBMUJFWSA-N 248.326 2.055 0 40 BEAB COc1ncccc1C(=O)N1CCCC[C@@H]1C 32759729 YAVCBVZMLWMBPQ-JTQLQIEISA-N 234.299 2.105 0 40 BEAB COC(=O)CCNc1cc(C)cc(C)c1 36671228 ICOXSIZSRIIRLY-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB CCOc1noc(C)c1Br 39099454 WYGNIHJIFAZCBL-UHFFFAOYSA-N 206.039 2.144 0 40 BEAB in-vitro COc1cc(C(F)(F)F)nc(OC)c1OC 47218610 JSKJTIPQHPCLRX-UHFFFAOYSA-N 237.177 2.126 0 40 BEAB Clc1cccc(CN[C@@H]2CCCNC2)c1 53148128 JBIRPGGQBQODJX-GFCCVEGCSA-N 224.735 2.182 0 40 BEAB COc1cc(OC)c(/C=C/C(=O)O)cc1Cl 62702152 MWSUQWNEZUXNNT-ONEGZZNKSA-N 242.658 2.455 0 40 BEAB CCOCCn1c(C(C)=O)nc2ccccc21 62702325 AXLICJBBPBOXPF-UHFFFAOYSA-N 232.283 2.275 0 40 BEAB CC[C@]1(C(=O)OC(C)(C)C)CCCNC1 62870909 LVSWDCOLFFGHDR-LBPRGKRZSA-N 213.321 2.108 0 40 BEAB C[C@H]1CCCN(c2cnnc(O)c2Cl)CC1 68824666 WYYHMDDOKYHVOD-QMMMGPOBSA-N 241.722 2.462 0 40 BEAB Nc1cccc(Nc2ccc(C(=O)O)cn2)c1 70453849 MTJXUTPBDZKAMA-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB CN(C(=O)OC(C)(C)C)c1ccc(C(=N)N)cc1 70660399 UIDMYNUWNJIMRT-UHFFFAOYSA-N 249.314 2.342 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@@]12CCC[C@@](N)(CC1)C2 71373360 TWFKLLUSAMSECF-OLZOCXBDSA-N 240.347 2.315 0 40 BEAB C[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208737 MFZDEMSNUTXFJE-VHSXEESVSA-N 229.320 2.014 0 40 BEAB CCOc1ccc([C@H]2CCCN2C(C)=O)cn1 72211773 CUGNKSWRMGGDHI-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB Cc1nnc2ccc(N3CCCCCCC3)nn12 77291465 WXZWPPSOQMANTP-UHFFFAOYSA-N 245.330 2.203 0 40 BEAB C[C@@]1(c2ccccc2)CCCN(CCCO)C1 79097552 DMEMVZFCBVMKEF-OAHLLOKOSA-N 233.355 2.423 0 40 BEAB CC[C@@H](c1ccccc1)N(C(=O)CN)C1CC1 79421176 LQPYDHWFVPEZDN-ZDUSSCGKSA-N 232.327 2.087 0 40 BEAB C[C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 82319265 HUFAIJPLJDLZBQ-VHSXEESVSA-N 213.346 2.141 0 40 BEAB CCOc1nc(Cl)nn1Cc1ccccc1 85343310 MUVINLISPPQKSL-UHFFFAOYSA-N 237.690 2.379 0 40 BEAB Cc1ccc2c(C(=O)O)ccnc2c1F 85400018 YZJROMHIOXARPI-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB O=C1C[C@H](COCc2ccccc2)[C@H]1F 88241603 GDIUNGXHYQVOQB-ZYHUDNBSSA-N 208.232 2.130 0 40 BEAB CCc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 89289684 GPYOOMOIOONBGH-MNOVXSKESA-N 238.356 2.241 0 40 BEAB CCOCC(=O)Nc1cccc(Cl)c1O 95431062 PTDABZFVWPXJCY-UHFFFAOYSA-N 229.663 2.021 0 40 BEAB N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 95636553 CIEHRJIQZOVKEV-MRVPVSSYSA-N 239.624 2.351 0 40 BEAB O=C(O)c1ccc(CSc2ncc[nH]2)cc1 96551669 LPZZBISPFVBRNL-UHFFFAOYSA-N 234.280 2.400 0 40 BEAB Cc1cc(CO)c(Br)cc1F 228963102 VWVJHPZADDEYIM-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB Cc1nc(Nc2ncc(O)[nH]2)nc2ccccc12 408990821 WRAROTYOUWBTIR-UHFFFAOYSA-N 241.254 2.111 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2c(F)cccc12 669369581 AYIRRXZLDUHMIO-UHFFFAOYSA-N 235.214 2.053 0 40 BEAB Clc1cnn(CCc2ccns2)c1 877877227 TVGOJVXULKPAJA-UHFFFAOYSA-N 213.693 2.236 0 40 BEAB COc1cc(C(=O)O)cc(C)c1/C=C/[C@@H](C)O 1534679518 WXRCGZDELRTFHW-XNPJLODASA-N 236.267 2.096 0 40 BEAB COc1ccc2nccc(-n3ccnc3)c2c1 1775965790 HRYNSXSUBJXQCZ-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB CCOC(=O)[C@@H](CC)[C@H](O)c1ccccc1 1095278 MCJORAPHPVJYNZ-NWDGAFQWSA-N 222.284 2.309 0 40 BEAB in-vitro CCCCCC[C@H]1OC[C@@H](COC)O1 1602680 NTOFFMMZFVBZAY-MNOVXSKESA-N 202.294 2.345 0 40 BEAB Cc1cc2c(cc1C)[C@@H](O)CCC(=O)N2 1612119 MMIMUICEPXCEFI-NSHDSACASA-N 205.257 2.069 0 40 BEAB CCCC[C@@H](CC)[C@H]1N[C@H](C(=O)O)CS1 5575029 ZKYLUEMFTTZGJI-UTLUCORTSA-N 231.361 2.319 0 40 BEAB CCNC(=O)c1cccc(NC(=O)C(C)C)c1 6205726 JZOAJVDJPBTIOO-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB CCCNC(=O)/C=C/c1c(OC)cccc1OC 6430234 YRCHDBUDFXGJRE-CMDGGOBGSA-N 249.310 2.243 0 40 BEAB C[C@@H]1CCCN(c2cc(C(=O)O)ccn2)C1 6677885 OPDQXUZZPJEEHW-SECBINFHSA-N 220.272 2.016 0 40 BEAB in-vitro CSc1nc(Cl)cc(N2C[C@@H]2C)n1 8617022 YKPQZUGMTPVEJY-XHBICQFHSA-N 215.709 2.060 0 40 BEAB CCOC(=O)c1ccc(OC(=O)CC)cc1 12358962 DSCWRAMNTSSYQS-UHFFFAOYSA-N 222.240 2.179 0 40 BEAB CCOC(=O)c1cc(CC)nc2onc(C)c12 12399104 CIDNJWQOJHLSPX-UHFFFAOYSA-N 234.255 2.270 0 40 BEAB Cc1ccnc(NC(=O)c2csc(C)c2)n1 16971555 LPWUSMCEUFZONQ-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=C(C[C@H]1C=CCC1)N=c1[nH]c2ccccc2[nH]1 17304193 PBCQOZAJGSVUSI-JTQLQIEISA-N 241.294 2.280 0 40 BEAB CC(C)c1ccc(-n2cc(C(=O)O)nn2)cc1 20216579 KUVAYENHFRJVGV-UHFFFAOYSA-N 231.255 2.089 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N(C)c1ccccc1 25594366 HMCAXFQRMRKLSW-UHFFFAOYSA-N 243.310 2.314 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)n(C)n2)cc1C 26420228 JRJNMHXLWSFKSA-UHFFFAOYSA-N 230.267 2.402 0 40 BEAB Cc1ccc(C(=O)NC2CCCC2)n1C 26537677 USMLETYIJBVHMK-UHFFFAOYSA-N 206.289 2.006 0 40 BEAB C[C@@H](CCc1ccco1)NC(=O)NCC1CC1 32779705 CPCSJYGUYNHVAW-JTQLQIEISA-N 236.315 2.310 0 40 BEAB O=Cc1nc(C(F)(F)F)n2ccccc12 35576568 NPDFHEMHDVZYRA-UHFFFAOYSA-N 214.146 2.166 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCC[C@H](C)C1 35655764 MGVMHLJMIWYJRP-JQWIXIFHSA-N 213.321 2.060 0 40 BEAB CC(C)NC(=O)CN[C@H](C)C1CCCCC1 37262770 SHLMBVXOABEALY-LLVKDONJSA-N 226.364 2.069 0 40 BEAB O=C(O)[C@]1(Cc2ccco2)C[C@@H]2C=C[C@H]1C2 38339279 UXWRUXNPZXHIIV-NRUUGDAUSA-N 218.252 2.489 0 40 BEAB N[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 38539948 YALCFCBAGHMZIK-VIFPVBQESA-N 242.725 2.402 0 40 BEAB O=C(O)c1ccc(-c2cc(Cl)ncn2)cc1 38580440 YFHIQJVGQCYBON-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB COC(=O)CCc1ccc(O)c(Cl)c1 39368559 YWJSKUFRUWDAMN-UHFFFAOYSA-N 214.648 2.151 0 40 BEAB Cc1oc(-c2cccs2)nc1C(=O)N(C)C 40534084 KDXYQGBEEXKBQB-UHFFFAOYSA-N 236.296 2.413 0 40 BEAB COc1ccc2c(=O)c(Cl)coc2c1 41431275 ZYHYJVPQJXNZAK-UHFFFAOYSA-N 210.616 2.455 0 40 BEAB COCCCNC(=O)Nc1c(F)cccc1F 43265954 JBLHFTZLXWQKAQ-UHFFFAOYSA-N 244.241 2.123 0 40 BEAB OCC1CCN(Cc2ccccc2F)CC1 46090746 UFWVYJGISXZSRH-UHFFFAOYSA-N 223.291 2.030 0 40 BEAB CC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 64554720 DUHCXFUXSHPGEW-SSDOTTSWSA-N 225.675 2.474 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccccn2)c1 69899400 DKKVRUQSHZZPOY-CHWSQXEVSA-N 244.342 2.326 0 40 BEAB COc1ccc(Cl)c2ccc(N)nc12 70060507 LBZMYSHUZROWGP-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB in-vitro CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 72381437 QEVPEZHUROEIBA-SNVBAGLBSA-N 224.329 2.177 0 40 BEAB Cc1ccc2nc3c(c(O)c2c1)C[C@H](N)CC3 76065628 SPFXOANXWHEVLM-SECBINFHSA-N 228.295 2.065 0 40 BEAB CC(C)N(CC(=O)O)Cc1cnc(Cl)s1 79422225 FLCRDIKCUGMZEE-UHFFFAOYSA-N 248.735 2.092 0 40 BEAB O=C1C[C@H](c2ccccc2Br)CN1 83134684 MBGRERPJWBLZCP-ZETCQYMHSA-N 240.100 2.053 0 40 BEAB COc1ccc2ccc(C(C)=O)nc2c1 83283726 ZPMDMHQFWGTXSY-UHFFFAOYSA-N 201.225 2.446 0 40 BEAB NC(=S)c1ccc(Br)c(F)c1 83360536 NOHRKUWJPFMYDC-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB COC(=O)c1c(C(=O)O)coc1-c1ccccc1 85385830 UBZPGKRHQHZMHT-UHFFFAOYSA-N 246.218 2.431 0 40 BEAB Clc1nc2nc(Br)ccc2[nH]1 95215345 BNIZMXNWASRUGU-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB CC(C)COc1ccccc1Cn1cncn1 96417372 CJGQYEGCUHJMFU-UHFFFAOYSA-N 231.299 2.361 0 40 BEAB CC[C@H](CC(=O)NCCC(=O)O)c1ccccc1 97017584 ADROPJHACIRZQL-LLVKDONJSA-N 249.310 2.161 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccnc(N(C)C)c1 97086654 AUYAPFSVQYSWFZ-IZZDOVSWSA-N 247.342 2.120 0 40 BEAB O=C(Nc1ncc(Cl)s1)[C@@H]1CCCOC1 98016458 BAEAUCIGGIJJNI-ZCFIWIBFSA-N 246.719 2.162 0 40 BEAB CC1(C)C[C@@]23CC(=O)C[C@H]2[C@H]1CC[C@@H]3C(=O)O 108227063 RBEOLCQUJOIXDY-NJBDSQKTSA-N 236.311 2.493 0 40 BEAB biogenic,in-vitro NN[C@@H]1CCCC[C@H]1Cc1ccccc1 199539279 UFIXVJLXVFSSHV-QWHCGFSZSA-N 204.317 2.251 0 40 BEAB CCn1cc(Cc2ccc(F)cc2)nc1N 199550255 VTXRGNDXTKBLJQ-UHFFFAOYSA-N 219.263 2.215 0 40 BEAB Cc1cnc([C@@H]2CCCN2C(=O)C(C)(C)C)[nH]1 205695606 WOXYTGIZCIGEEP-JTQLQIEISA-N 235.331 2.428 0 40 BEAB Nc1cncc(CN2CCc3ccccc3C2)c1 217731022 GYEPHDFKCSSNRH-UHFFFAOYSA-N 239.322 2.222 0 40 BEAB Cc1cc(Br)nc2sc(N)nc12 238475310 IMYNJTVLUPKOJG-UHFFFAOYSA-N 244.117 2.344 0 40 BEAB S=C1S[C@@H]2CCC[C@H]2N1C[C@H]1CCCO1 245482631 WPFBZHYIGYZWGW-OPRDCNLKSA-N 243.397 2.420 0 40 BEAB OCc1cnc(C(F)(F)F)c(Cl)c1 306657222 MLKJKBVHIRPWAU-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB CCOCc1nn(C(F)F)cc1Cl 408715214 GEEORFNJNJZPDO-UHFFFAOYSA-N 210.611 2.468 0 40 BEAB Cn1c(SCc2ccccc2)nccc1=O 1569488 VJDWEIYSHROTRB-UHFFFAOYSA-N 232.308 2.073 0 40 BEAB O=C(n1cncn1)C12CC3CC(CC(C3)C1)C2 4725844 JLDUFOPHEYKRNO-UHFFFAOYSA-N 231.299 2.135 0 40 BEAB COP(=O)(OC)N1C[C@@H]1c1ccccc1 4963502 SBSQBYQBFWTYSX-NFJWQWPMSA-N 227.200 2.444 0 40 BEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 5415911 IBSOYLYNWMVOEX-NSHDSACASA-N 241.356 2.318 0 40 BEAB O=C(O)c1cccc2c1-c1ccccc1[C@@H]2O 5542256 KPCFAKDCVIBJCB-ZDUSSCGKSA-N 226.231 2.447 0 40 BEAB CCc1[nH]c(-c2ccccc2)c(C)[n+]1[O-] 5910936 IZUQQJNIXHQYEW-UHFFFAOYSA-N 202.257 2.186 0 40 BEAB CCc1c(C)[nH]n(-c2ccc(C)cc2)c1=O 6604037 DYPKIQSLYQAFRW-UHFFFAOYSA-N 216.284 2.345 0 40 BEAB O=C(O)Cc1nc2cc(Cl)ccc2o1 6889277 FMJXTVZFTGWXSL-UHFFFAOYSA-N 211.604 2.108 0 40 BEAB Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)o1 7745912 HPWUGFCUPRHDAM-UHFFFAOYSA-N 247.250 2.264 0 40 BEAB CC(C)(CNc1ccccc1F)C(=O)O 8730701 OUAJEBZLFVNCCJ-UHFFFAOYSA-N 211.236 2.348 0 40 BEAB CCCCCNC(=O)c1ccc(OC)c(N)c1 19388186 HENWNAFGHYVWSA-UHFFFAOYSA-N 236.315 2.197 0 40 BEAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)O 19411000 DTOPCFJHOIYCNF-JTQLQIEISA-N 230.210 2.453 0 40 BEAB in-vitro CCN1CCC[C@H]1Cn1c(C)cc(C=O)c1C 19514876 BPXZUWKZDAPQMP-AWEZNQCLSA-N 234.343 2.402 0 40 BEAB in-vitro Nc1cccc(NS(=O)(=O)c2ccccc2)c1 22145186 RUYQFOIEMVGGQT-UHFFFAOYSA-N 248.307 2.070 0 40 BEAB in-vivo Cn1cc(CNC(=O)CCC2CCCC2)cn1 27929093 FUZIBSKCUPFZEM-UHFFFAOYSA-N 235.331 2.007 0 40 BEAB CCc1n[nH]c(SCc2c(C)noc2C)n1 28473488 KEYGVTZCMKITIZ-UHFFFAOYSA-N 238.316 2.264 0 40 BEAB CCN(C(=O)c1cnccn1)C1CCCCC1 32902887 VMPGRUASTWSDPY-UHFFFAOYSA-N 233.315 2.271 0 40 BEAB CCN(CC)C(=O)CSc1nc(C)cs1 33603091 YCBYAKVLWUUORF-UHFFFAOYSA-N 244.385 2.412 0 40 BEAB Cc1ccc(C)c(C(=O)Nc2cn[nH]c2)c1 35237580 OHVVBGKKFWSXEQ-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB Cc1c(-c2cc(F)ccc2F)nn(C)c1N 36938068 VKHCEBPJBLAAFM-UHFFFAOYSA-N 223.226 2.256 0 40 BEAB O=C(NC[C@H]1CCCCN1)OCc1ccccc1 39951990 BHVZGRBXEXJUCP-CYBMUJFWSA-N 248.326 2.055 0 40 BEAB Cc1nc(CNCc2c(C)n[nH]c2C)cs1 40447615 PBZCXSGEBOGCOT-UHFFFAOYSA-N 236.344 2.081 0 40 BEAB Cc1cccc(Nc2ccc(N)cc2C(N)=O)c1 41082259 JKWCJGJLRNGXOG-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB COc1ccc([C@@H]2C[C@H]2CC(=O)O)cc1 41214539 KBRGKJHCWDGEIX-ONGXEEELSA-N 206.241 2.273 0 40 BEAB CC(C)(C)c1ccc(CCN2CCNCC2)cc1 41298435 KYWJYOGGFLIZOQ-UHFFFAOYSA-N 246.398 2.432 0 40 BEAB CC(C)COc1cccc(CC(=O)O)c1 42417259 FHYDGAOWKXCFHT-UHFFFAOYSA-N 208.257 2.349 0 40 BEAB in-vitro CCN(CC)C(=O)Cc1cccc(OC)c1 44866950 KKLDHNMAEPTSCR-UHFFFAOYSA-N 221.300 2.106 0 40 BEAB CN(CCO)Cc1cccc(C(F)(F)F)c1 49633513 QSMGYVXDLXOVBO-UHFFFAOYSA-N 233.233 2.130 0 40 BEAB CC(C)c1nc(CN2CCOC[C@@H]2C)cs1 51687523 CQUJYUGXKDPVGA-JTQLQIEISA-N 240.372 2.487 0 40 BEAB NC[C@@H](CC(=O)N1CCCCC1)c1ccccc1 57535799 ADVPMOGQHPMFOD-CQSZACIVSA-N 246.354 2.132 0 40 BEAB CCN(C[C@@H](C)C(=O)O)C(=O)c1cccc(C)c1 61214964 MIMQERIVTOQJPG-LLVKDONJSA-N 249.310 2.178 0 40 BEAB C[C@@H](O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 62713841 NOLYNJCKOXZVCZ-OASPWFOLSA-N 205.301 2.237 0 40 BEAB CNCc1c(F)cccc1Br 67801446 ARXBGWZIMPUEOZ-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB CCn1c(Cn2ccnc2)nc2c(F)cccc21 69596360 SKJKNBSJUPAVDF-UHFFFAOYSA-N 244.273 2.440 0 40 BEAB in-vitro CCN1CCC[C@H]1c1cccnc1OC 72211713 CSSGRURCIRLJAR-NSHDSACASA-N 206.289 2.247 0 40 BEAB CCN(C)c1ccc([C@H]2CCCN2C)cn1 72212702 DDVYMRYEYLAUOR-GFCCVEGCSA-N 219.332 2.304 0 40 BEAB c1cnc(NC2CCC2)c([C@@H]2CCCN2)c1 72213880 RIUKDRKFJDMNEM-LBPRGKRZSA-N 217.316 2.471 0 40 BEAB COc1ccc([C@H]2CCCN2C(C)=O)c(C)n1 72218070 XKVKQDYQQFUSLB-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB Cc1cccc(NC(=O)C2CCN(C)CC2)c1 74713308 MZGADSCYWAWUSO-UHFFFAOYSA-N 232.327 2.275 0 40 BEAB CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 75772272 WSABCMHCIKCUJB-CHWSQXEVSA-N 232.371 2.362 0 40 BEAB in-vitro Cc1nsc(N2CCc3ccccc3CC2)n1 78265214 ZBJWZVNBLKHPBC-UHFFFAOYSA-N 245.351 2.452 0 40 BEAB C[C@H](c1ccc(F)cc1)N(CC(=O)O)C1CC1 79421362 IHLAEDMZDKJXBW-SECBINFHSA-N 237.274 2.436 0 40 BEAB CC(C)(C)[C@@H](O)[C@@H](C(=O)O)c1ccccc1 82290406 YDLFOECLRCJUCM-QWRGUYRKSA-N 222.284 2.262 0 40 BEAB O=C1C[C@@H](c2ccc(Br)cc2)N1 84128145 YSIKXVRYGIZALB-QMMMGPOBSA-N 226.073 2.010 0 40 BEAB in-vitro C[C@@H]1CNCCN1c1cccc2cnccc12 86177103 BDNZUHNXMWLNHX-LLVKDONJSA-N 227.311 2.033 0 40 BEAB in-vitro Oc1ccc2c(C(F)(F)F)n[nH]c2c1 89196001 OIYLLLWTWWLANQ-UHFFFAOYSA-N 202.135 2.287 0 40 BEAB Cc1cnc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cn1 89702225 RAXNGXYFVSWNKJ-AAEUAGOBSA-N 245.326 2.190 0 40 BEAB CCc1nsc(N[C@H]2CCCC[C@H]2CO)n1 92656456 FZLSSYWMGPCOOM-IUCAKERBSA-N 241.360 2.064 0 40 BEAB COc1ccc(C)cc1[C@@H](O)c1cccn1C 95727840 PWOLSSUCRVKYSA-CQSZACIVSA-N 231.295 2.424 0 40 BEAB CS[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 96119991 DURLHEPLJGOUBM-SGUJLRQBSA-N 237.324 2.257 0 40 BEAB CC(=O)Nc1cccc(-c2ccco2)n1 96190798 HOMMHFWTSGPHEO-UHFFFAOYSA-N 202.213 2.300 0 40 BEAB Cc1occc1S[C@H]1CCCCNC1=O 131439798 XUHMABKOWZVLPM-JTQLQIEISA-N 225.313 2.349 0 40 BEAB CC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)C(C)=O 140500429 DISCLSGXBAXBTJ-IINYFYTJSA-N 249.310 2.158 0 40 BEAB in-vitro O=C(Nc1cccnc1)N1C[C@H]2CCC[C@H]2C1 150820631 ZFDOAFOHXIHZBF-PHIMTYICSA-N 231.299 2.345 0 40 BEAB c1ccc2c(c1)ncn2C[C@@H]1CCOC1 168527678 GXIRPYOMAURXFS-JTQLQIEISA-N 202.257 2.073 0 40 BEAB CCCC[C@@H]1CCC[C@@H]1N[C@@H]1CCN(C)C1=O 191831635 IJFMWDPLKNRNAQ-FRRDWIJNSA-N 238.375 2.166 0 40 BEAB CCc1cc(N2CCCC2=O)ccc1C=O 199759545 MDCLUOZRMACKIH-UHFFFAOYSA-N 217.268 2.188 0 40 BEAB O=C(O)[C@H]1C[C@H](C2CC2)Nc2ccccc21 213142310 USHCLYXJZNMIEP-CMPLNLGQSA-N 217.268 2.449 0 40 BEAB COc1ccc(C)c2c(NCCCN)ccnc12 222682612 XSUZSKDXOGCQAO-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB Cc1ccc2cc(CCC(=O)O)cnc2c1N 256051374 IXCIWVIAQDHNSI-UHFFFAOYSA-N 230.267 2.143 0 40 BEAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2C)S1 260774959 OJCJSJJNJMHORN-KKZNHRDASA-N 233.340 2.318 0 40 BEAB C[C@H]1COCCC12CN(C(=O)OC(C)(C)C)C2 575440765 BKWLHOFYHKJSBI-JTQLQIEISA-N 241.331 2.280 0 40 BEAB CCc1cc(CO)c2ccc(OC)cc2n1 685937612 UANRHAFHRAAUIZ-UHFFFAOYSA-N 217.268 2.298 0 40 BEAB COc1ccc(CC(=O)N2CCCCC2)cc1 585155 DFSLSKYRJSACJI-UHFFFAOYSA-N 233.311 2.250 0 40 BEAB C[C@](C(=O)O)(c1ccccc1)C1(O)CCCC1 1593067 CBGJVRRVEACAJP-CYBMUJFWSA-N 234.295 2.334 0 40 BEAB Cc1ccc(C)c(C[C@@H](O)CNCC(C)C)c1 1676679 BAOQPSLEFOGGTO-OAHLLOKOSA-N 235.371 2.452 0 40 BEAB CCn1cc(CNCc2ccc(F)cc2)cn1 2536067 QGSUOHMTKJCOIX-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB CCCCNC(=O)c1ccc(OC(C)=O)cc1 5419819 VSWRDTRYMKHFOB-UHFFFAOYSA-N 235.283 2.142 0 40 BEAB C[C@H]1CCC[C@H](NC(=S)NC2CC2)[C@@H]1C 7526487 FKBYCYJTJOSXCB-NGZCFLSTSA-N 226.389 2.438 0 40 BEAB CN(C(=O)Cc1ccc(F)cc1)c1ccccn1 9644362 UOGQZIWNEDVFJB-UHFFFAOYSA-N 244.269 2.426 0 40 BEAB CCCNC(=O)NCc1ccc(C)cc1 10218951 USPHFLUUANMVLS-UHFFFAOYSA-N 206.289 2.204 0 40 BEAB O=C(O)c1cccc(OCCN2CCCCC2)c1 11892751 NYOVKCSFMUODAF-UHFFFAOYSA-N 249.310 2.250 0 40 BEAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)cn1 12527903 VHGKLCISBJLUCJ-SNVBAGLBSA-N 232.283 2.385 0 40 BEAB Cc1cc(C)nc(NC(=S)NC2CC2)c1 13837835 PDCIXVZPIXMCFQ-UHFFFAOYSA-N 221.329 2.147 0 40 BEAB Cc1ccc([C@@H](N)CN2CCCC2)cc1 19257809 GCQBSMRUMWJULF-ZDUSSCGKSA-N 204.317 2.091 0 40 BEAB C[C@H]1CCCCN1CCCNCc1cccn1C 20360527 ZXNLKLBYQFBZQB-AWEZNQCLSA-N 249.402 2.379 0 40 BEAB NC[C@H](Cc1c(Cl)cccc1Cl)C(=O)O 26895690 UZNQIOVTVNYAHN-LURJTMIESA-N 248.109 2.195 0 40 BEAB CC[C@H](C)C(=O)NCCc1cn2ccccc2n1 28509098 FFQNVWVVVYDCPS-NSHDSACASA-N 245.326 2.039 0 40 BEAB COc1ncccc1C(=O)N1CCCC[C@H]1C 32759732 YAVCBVZMLWMBPQ-SNVBAGLBSA-N 234.299 2.105 0 40 BEAB CNCCCc1cc(-c2ccccc2)n(C)n1 36379584 HAONVJDXQAVWNV-UHFFFAOYSA-N 229.327 2.239 0 40 BEAB in-vitro c1ccc2c(c1)ncn2CC1CCNCC1 36657668 QYSKIWPKKCCIEZ-UHFFFAOYSA-N 215.300 2.036 0 40 BEAB in-vitro O=C(O)CN(Cc1cccnc1)c1ccccc1 37595471 ZISJGPWJGIDDGX-UHFFFAOYSA-N 242.278 2.173 0 40 BEAB in-vitro Cc1noc(C)c1CSc1nccn1C 40013430 DVUNXYPPBPKMAF-UHFFFAOYSA-N 223.301 2.317 0 40 BEAB COC(=O)c1cc(N)ccc1NC(C)(C)C 41046090 IGTWNWJDHYYFGG-UHFFFAOYSA-N 222.288 2.266 0 40 BEAB COCC(=O)c1ccc(Cl)c(F)c1 43504739 KXNVDQPVFIMODI-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB CC[C@](C)(O)c1ccc(OC)cc1OC 55232461 MIVRTUCJLPQVCV-LBPRGKRZSA-N 210.273 2.321 0 40 BEAB CCCc1cc(N[C@H](C)C2CC2)n2ncnc2n1 64905069 YIRFOIPMASTBMR-SECBINFHSA-N 245.330 2.287 0 40 BEAB CCN1CCCN(CCOc2ccccc2)CC1 69587421 GMLPSLMEQSECRI-UHFFFAOYSA-N 248.370 2.093 0 40 BEAB COc1cc(OC)cc(-c2cc(O)on2)c1 71976552 CCIJZJSQZJHZMP-UHFFFAOYSA-N 221.212 2.064 0 40 BEAB CNc1ccc([C@H]2CCCCN2C=O)c(C)n1 72219133 BYMMPJAQMVAYSY-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB O=C(O)[C@H]1C[C@H](C2CCCCC2)CCN1 74148211 HRHIKSLSMMWSSH-GHMZBOCLSA-N 211.305 2.020 0 40 BEAB Cc1nccc(NCc2sc(C)nc2C)n1 78380978 BIQTUOHCFNTPPW-UHFFFAOYSA-N 234.328 2.470 0 40 BEAB O=C(CC1CCCCC1)CC1OCCO1 85652297 GMJATKLDACSMFP-UHFFFAOYSA-N 212.289 2.289 0 40 BEAB CO[C@@H](C)C(=O)N1CCc2c(Cl)cccc21 89420196 ZILSDKQDOSKIDG-QMMMGPOBSA-N 239.702 2.264 0 40 BEAB Fc1ccc(CN2CCOC[C@H]2C2CC2)cc1 90009249 UCDXJQNDMFHMOS-AWEZNQCLSA-N 235.302 2.437 0 40 BEAB CCSCCN1CCO[C@H](C(C)C)C1 95465900 VYGPNRPKAGSKJK-NSHDSACASA-N 217.378 2.096 0 40 BEAB Brc1cc(OC2CC2)ccn1 95709737 WFEUNZKZNJJOAY-UHFFFAOYSA-N 214.062 2.385 0 40 BEAB in-vitro Oc1c(Br)ccnc1Cl 95761880 GSTXIVKHTAOHBJ-UHFFFAOYSA-N 208.442 2.203 0 40 BEAB CSCCCNC(=O)Nc1ccncc1C 95981992 OMEYJWOYZYMORN-UHFFFAOYSA-N 239.344 2.265 0 40 BEAB Cc1cc(NC(=O)Nc2cccnn2)ccc1O 97104787 YZFBKLSIHFVZDW-UHFFFAOYSA-N 244.254 2.135 0 40 BEAB CC[C@@H](c1ccc(OC)cc1)N(C)CCO 97212871 QFASJXCCQIBJQO-ZDUSSCGKSA-N 223.316 2.070 0 40 BEAB CN[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 100276334 IHQIWSDHRQUUHL-GXTWGEPZSA-N 218.344 2.116 0 40 BEAB in-vitro CCC(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O 192055468 DXSPGCGMUWFQCX-WFASDCNBSA-N 249.354 2.142 0 40 BEAB O=C(O)[C@@H]1CNc2cc(C(F)(F)F)ccc2C1 217608304 CSTIDYUOSKZPRE-ZETCQYMHSA-N 245.200 2.374 0 40 BEAB c1ccn(-n2c(C3CC3)nnc2C2CC2)c1 225150771 YOKSZNVXHJYXKX-UHFFFAOYSA-N 214.272 2.146 0 40 BEAB CC(=O)c1ccc(-c2ccccc2F)[nH]c1=O 225815630 PWFQPIFHOQYIDU-UHFFFAOYSA-N 231.226 2.384 0 40 BEAB O=C(C[C@H]1C=CCCC1)N1CC(CF)C1 335215170 IZOOLVPQFFKHKS-JTQLQIEISA-N 211.280 2.161 0 40 BEAB CC[C@@H](F)COC(=O)C[C@@H](CN)CC(C)C 521396587 XJWUVNQWOQUBDD-WDEREUQCSA-N 233.327 2.289 0 40 BEAB c1nc(C2CC2)oc1Cn1nnc2c1CCCC2 641726777 RFTJYHQCJLUWEU-UHFFFAOYSA-N 244.298 2.071 0 40 BEAB CCOP(=O)(Cc1ncccn1)OCC 1857794021 VZEDJYBHLYBXBY-UHFFFAOYSA-N 230.204 2.243 0 40 BEAB C[C@@H](Sc1ncnc2ccccc12)C(=O)O 34090 UMMDOUOBKCUKSN-SSDOTTSWSA-N 234.280 2.195 0 40 BEAB Cc1cccc(N(C)C(=O)c2snnc2C)c1 385552 QYIJJWWBQSGELB-UHFFFAOYSA-N 247.323 2.432 0 40 BEAB CCN1C(=O)CN2c3ccccc3C(C)(C)[C@@]12C 518763 QDAYJNWCMIZKFJ-HNNXBMFYSA-N 244.338 2.363 0 40 BEAB biogenic NCCN1CCCCCc2ccccc21 1637013 OCMVPNDICGOECH-UHFFFAOYSA-N 204.317 2.178 0 40 BEAB CN1CCCC[C@@H]1[C@H](O)c1ccccc1 1667106 JGAYLCZXGQAXQC-CHWSQXEVSA-N 205.301 2.204 0 40 BEAB biogenic CC(=O)Nc1nnc(-c2cc(C)ccc2C)o1 5169636 PWJBHGLSQGMJAY-UHFFFAOYSA-N 231.255 2.312 0 40 BEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C1CC1 5854126 RTSIQJJFQYKWGG-VIFPVBQESA-N 244.294 2.160 0 40 BEAB CCCCC[C@H](C)NC(=O)[C@@H]1CCCO1 6042510 HUOJFXFCPQZHQO-QWRGUYRKSA-N 213.321 2.250 0 40 BEAB CN(CCO)C(=O)Nc1cccc2ccccc12 6625337 YIVZCLLDOSYUKS-UHFFFAOYSA-N 244.294 2.296 0 40 BEAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCCC1 8142251 IEVDVJOATOZZCW-SNVBAGLBSA-N 236.290 2.249 0 40 BEAB Cc1ccc(N2C(=N)SCC2=O)cc1C 9879663 LEKRSGTUMQYRRI-UHFFFAOYSA-N 220.297 2.318 0 40 BEAB CCN1C(=O)/C(=C/Nc2ccccc2)OC1=S 12341376 NLLWAHKMYYCRHF-NTMALXAHSA-N 248.307 2.104 0 40 BEAB C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 12978822 IOQQRVCYVKASMZ-SMDDNHRTSA-N 245.322 2.249 0 40 BEAB O=C1c2ccccc2CC[C@@H]1[C@H]1CCCN1 19375176 HDNRBVRWENYZLC-CHWSQXEVSA-N 215.296 2.184 0 40 BEAB COc1ccc(SCCC(=O)O)cc1OC 19686269 HVWIZKGQLSYPCB-UHFFFAOYSA-N 242.296 2.271 0 40 BEAB CN1CCC(CNCCc2ccccc2)CC1 19735507 ZWYATTJEXIADSK-UHFFFAOYSA-N 232.371 2.161 0 40 BEAB in-vitro CCCC(=O)Nc1ccccc1C(=O)NC1CC1 24448360 QRSDAHQIVQIMHQ-UHFFFAOYSA-N 246.310 2.317 0 40 BEAB O=C(Nc1ccon1)[C@@H]1C[C@H]1c1ccccc1 28226097 OKPSZZHRDPVFOW-WDEREUQCSA-N 228.251 2.417 0 40 BEAB COc1cccc(C(=O)N(C)C2CCCC2)c1O 32845234 HAQJPTDNPFKHJG-UHFFFAOYSA-N 249.310 2.415 0 40 BEAB CNC1CCN(Cc2cccc(F)c2)CC1 37242289 NTSSFQBKYXOOFD-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB CC(=O)c1cccc(NC(=O)NCC2CC2)c1 40525776 RRAJUBVJCDLQJV-UHFFFAOYSA-N 232.283 2.421 0 40 BEAB NCCc1ccc(O[C@H]2CCCCO2)cc1 44371787 IKOLRHUUOFOGAM-ZDUSSCGKSA-N 221.300 2.093 0 40 BEAB COCCNc1cnnc2ccc(Cl)cc12 46087292 CCOYODDDVSRFRR-UHFFFAOYSA-N 237.690 2.342 0 40 BEAB CC(=O)NCCCSc1nc2ccccc2[nH]1 49064816 UVZGYLPXTUHROU-UHFFFAOYSA-N 249.339 2.181 0 40 BEAB CSCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 67503982 CKDTVPGSUBOLAQ-VXGBXAGGSA-N 235.352 2.412 0 40 BEAB CSc1ccccc1NC(=O)[C@@H]1CCOC1 69314393 KFFUTUZGHZJQOY-SECBINFHSA-N 237.324 2.384 0 40 BEAB CC(C)C(=O)N[C@H]1CCCc2occc21 69373368 JADBAAHMWJCFBW-JTQLQIEISA-N 207.273 2.429 0 40 BEAB CC(C)CN(C/C=C/c1ccccc1)CC(N)=O 69452488 SIWZIXFTDGFXLR-RMKNXTFCSA-N 246.354 2.143 0 40 BEAB Nc1c(Cl)ccc(Br)c1O 71789983 NCBNXOBDCGPHCX-UHFFFAOYSA-N 222.469 2.390 0 40 BEAB in-vitro CN(C(=O)COC1CCCC1)c1ccccn1 71914726 BWJTXCCZYKAZHR-UHFFFAOYSA-N 234.299 2.004 0 40 BEAB CC(=O)N1CCC[C@H]1c1ncccc1C 72211125 ACUNXKVDBAQEGG-NSHDSACASA-N 204.273 2.073 0 40 BEAB COc1cc(C)c([C@H]2CCCN2C)cn1 72218002 XYSUJOPFMVEKHG-LLVKDONJSA-N 206.289 2.165 0 40 BEAB C[C@@H](N)c1ccc(N2CCCCCC2)nc1 72225475 LYGULMRXVXTWAJ-LLVKDONJSA-N 219.332 2.482 0 40 BEAB C[C@@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1 77257508 AEPMKZIOUKHDOO-IJLUTSLNSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro C[C@H](NCc1ccc(CO)o1)c1cccc(O)c1 81574810 MWRKCUBKKSAMRF-JTQLQIEISA-N 247.294 2.328 0 40 BEAB O=C(O)c1cc(Cl)cc(Br)n1 82330952 JVVWGSKTCYSGPA-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB CC(C)OCCCNCc1cccc2cn[nH]c12 83998021 SFWJJTZSQODMIQ-UHFFFAOYSA-N 247.342 2.468 0 40 BEAB CN(CC(=O)O)Cc1ccccc1C1CC1 87015662 NZVIDBJPDIAHLI-UHFFFAOYSA-N 219.284 2.080 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCN(C)Cc2ccccc21 89920450 VSPNQOVMEANQFU-DGCLKSJQSA-N 244.338 2.121 0 40 BEAB CC[C@@H](COc1ccccc1)N[C@H]1CCOC1 96477666 JYQVRWQRDMISPY-STQMWFEESA-N 235.327 2.223 0 40 BEAB Cc1cccc(C(C)(C)NCC(=O)NC(C)C)c1 96491930 HFAUPCNAWPBPQF-UHFFFAOYSA-N 248.370 2.344 0 40 BEAB N[C@H]1CCN(Cc2cc(Cl)ccc2F)C1 96523491 CMLICXZTWSTRQQ-JTQLQIEISA-N 228.698 2.012 0 40 BEAB N[C@@H]1CCCN(CC2(c3ccccc3)CC2)C1 96523551 DFNMHQPGVJYFLL-CQSZACIVSA-N 230.355 2.141 0 40 BEAB OC[C@H]1CCCCC[C@@H]1N[C@@H]1CCCSC1 97371009 XONVDBHBIGNZGZ-UPJWGTAASA-N 243.416 2.413 0 40 BEAB CCOC[C@H](C)Nc1ccc(-n2ccnn2)cc1 97371324 SIJAYNFWHRUPGC-NSHDSACASA-N 246.314 2.104 0 40 BEAB Cc1c(-c2ccccc2)[n+](=O)c2c(n1O)CCC2 100518155 ULXWIQUJDHVJOJ-UHFFFAOYSA-N 243.286 2.104 0 40 BEAB O=C1CCCC[C@H]1C(=O)CC(F)(F)F 115018097 SFOZPJBOPXYQMA-ZCFIWIBFSA-N 208.179 2.267 0 40 BEAB CCOC[C@@H](C)OC(=O)c1cccc(F)c1 190731033 PEENUBPVOIGVFX-SECBINFHSA-N 226.247 2.408 0 40 BEAB Cc1nc(CN[C@@H](C)CCn2cccn2)oc1C 195573543 KEHMRIUZZTZFDJ-JTQLQIEISA-N 248.330 2.056 0 40 BEAB CCC(=O)NC[C@@H](CO)CC1CCCCC1 195580162 RXPFXCXHGNORLV-LBPRGKRZSA-N 227.348 2.092 0 40 BEAB Cc1ccccc1-c1nc(N)n(C)c1C 199560078 WDMMCRYSQZNGAX-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB O=C(O)c1cccc(-c2nc3ccccc3[nH]2)n1 213826729 FNXKXUOZDZFCAX-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB Cc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1 218843921 JFPBLLFPDFWWMS-ZIAGYGMSSA-N 216.328 2.326 0 40 BEAB CCNc1ccc(C(=O)OC(C)C)cc1N 225405288 SWCKXZDGRDXAFX-UHFFFAOYSA-N 222.288 2.266 0 40 BEAB NC(=O)c1ccc(Cl)c(-n2cccc2)c1 226244783 YUOHOYOCMWDDKK-UHFFFAOYSA-N 220.659 2.230 0 40 BEAB Cc1nn(CC(F)F)cc1Br 408716113 JANGOIWNRMYKDQ-UHFFFAOYSA-N 225.036 2.219 0 40 BEAB CC(C)Oc1cc(F)c(CO)cc1F 725239893 BUAULTFOLGVLSA-UHFFFAOYSA-N 202.200 2.244 0 40 BEAB c1ccc(OCc2cn3cccnc3n2)cc1 79718 DYNJOBXXJMOYBG-UHFFFAOYSA-N 225.251 2.308 0 40 BEAB O=C(Nc1ccc2nsnc2c1)C(F)(F)F 204467 KTGVAMYSEVKNDM-UHFFFAOYSA-N 247.201 2.192 0 40 BEAB Cc1c(Cl)c(C(=O)NC2CCCC2)nn1C 355993 USTPVKORFUWDSF-UHFFFAOYSA-N 241.722 2.054 0 40 BEAB CCOC(=O)[C@@H](C)OCc1ccccc1 399627 YECFQHZUGDYXTN-SNVBAGLBSA-N 208.257 2.155 0 40 BEAB in-vitro CC(C)CCN1C(=S)S[C@H](NO)C1(C)C 1272598 LBEPUIODXHRRTC-QMMMGPOBSA-N 248.417 2.450 0 40 BEAB C[C@H](Oc1ccccc1)c1ccnc2ncnn12 1393348 FNIGKRUEDGCZJM-JTQLQIEISA-N 240.266 2.264 0 40 BEAB COc1ccc([C@@H]2OC[C@@H](C)O2)cc1OC 1676999 RTGAEOYQOMUCLS-PRHODGIISA-N 224.256 2.138 0 40 BEAB CCCC[C@@]1(CC)S[C@@H](CC)C(=O)NC1=O 1751842 XTKVQQVNYFVKHI-JOYOIKCWSA-N 243.372 2.494 0 40 BEAB CCOCC(=O)Nc1ccc(C)cc1C 2069475 MTCFVSYYTKQIIB-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB Cc1cc(-c2nnc(-c3ccccc3)o2)n(C)n1 2806286 LFRMFRGRKCMMOO-UHFFFAOYSA-N 240.266 2.446 0 40 BEAB CCOc1ccc(SCC(=O)O)cc1 3356969 UEWLGUBBIVUMRG-UHFFFAOYSA-N 212.270 2.262 0 40 BEAB in-vitro O=C(O)CN1CCC(c2ccc(F)cc2)CC1 4203021 NHGUAYDBIZABID-UHFFFAOYSA-N 237.274 2.090 0 40 BEAB CCOc1ccc(-c2nnc(S)[nH]2)cc1 4282394 QSZIYNKGEUXAHS-UHFFFAOYSA-N 221.285 2.159 0 40 BEAB C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1 6468163 GEYOICCKNWSVAB-KGLIPLIRSA-N 249.354 2.301 0 40 BEAB CCN1C(=O)CCc2cc(NC(=O)OC)ccc21 8736275 OSFSYYLUTJBTAJ-UHFFFAOYSA-N 248.282 2.164 0 40 BEAB Cc1nonc1NC(=O)c1ccccc1Cl 8915136 SGNWHTGZFWLBIL-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB CC(C)C(=O)NCCCc1ccc(N(C)C)cc1 11693658 RDWOMRLUJDCOHF-UHFFFAOYSA-N 248.370 2.457 0 40 BEAB CCCOCCOc1ccc(C)cc1N 14629586 CPQGFTFIDALXBR-UHFFFAOYSA-N 209.289 2.383 0 40 BEAB Cc1cc(C)c(C)c(O[C@@H]2CCNC2)c1 14632134 KGIUAQLBDYDCMJ-GFCCVEGCSA-N 205.301 2.353 0 40 BEAB CCSCN1CCN(CSCC)CC1 19366401 HGCZVPFWCYGHCO-UHFFFAOYSA-N 234.434 2.025 0 40 BEAB Nc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 19510807 QQDOAENFCVMKSC-UHFFFAOYSA-N 217.316 2.460 0 40 BEAB CC(C)(C)NCc1nc2ccccc2[nH]1 22122032 HXUGYLXGETWCLX-UHFFFAOYSA-N 203.289 2.451 0 40 BEAB Cc1nc(C(F)(F)F)ccc1C(=O)NC1CC1 24564774 GQUNBVYODCXTDY-UHFFFAOYSA-N 244.216 2.301 0 40 BEAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc[nH]c1=O 31384918 NXORIIFNRQVBQN-ZYHUDNBSSA-N 248.326 2.026 0 40 BEAB COc1ccc(O)c(C(=O)N(C)C2CCCC2)c1 32901617 LKYMHHXWANBIMP-UHFFFAOYSA-N 249.310 2.415 0 40 BEAB N#CNc1c(Cl)ccc2nsnc12 34154903 BPGDXFFKSUUPBE-UHFFFAOYSA-N 210.649 2.238 0 40 BEAB in-vitro O=C(O)[C@@H]1C[C@H]1C(=O)c1ccc(Cl)cc1 34214952 NHXPAMGWDIVOJR-RKDXNWHRSA-N 224.643 2.243 0 40 BEAB CC(C)C[C@H](N)C(=O)N(C)C1CCCCC1 35220405 ZKJJZCRFXGTUOE-LBPRGKRZSA-N 226.364 2.151 0 40 BEAB in-vitro O=C1Cc2cc(C(=O)c3ccccc3)ccc2N1 37359071 DZNAJEDQDMDIEL-UHFFFAOYSA-N 237.258 2.412 0 40 BEAB N[C@H]1CCCN(c2ccnc3ccccc23)C1 41721466 BTTMZGGQBKPHGA-NSHDSACASA-N 227.311 2.162 0 40 BEAB CCCC(=O)Nc1nc(C(C)=O)cs1 41907135 LGVHAQHHFUTYLK-UHFFFAOYSA-N 212.274 2.084 0 40 BEAB C[C@@H](NCCn1cccn1)c1ccccc1F 42538753 ZOPZWCZZPNENGS-LLVKDONJSA-N 233.290 2.373 0 40 BEAB CN(Cc1cccc(F)c1)[C@@H]1CCCNC1 43501381 KZDLUXFYCLSDKJ-CYBMUJFWSA-N 222.307 2.010 0 40 BEAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(N)=O 44865893 ZINOFRNCTLSRTQ-VIFPVBQESA-N 221.300 2.237 0 40 BEAB Cc1oc(-c2ccccc2F)nc1CC(=O)O 49632720 SAQNRUGKDHDBBC-UHFFFAOYSA-N 235.214 2.416 0 40 BEAB CNCc1cc(-c2cccc(Cl)c2)[nH]n1 50478958 XPZVZUFOJMTWNF-UHFFFAOYSA-N 221.691 2.450 0 40 BEAB O=c1cc(O)c2c(C3CC3)csc2[nH]1 57315555 WNVFVRYSMDTPKT-UHFFFAOYSA-N 207.254 2.173 0 40 BEAB CCCNc1ncc(CNCC(C)C)cn1 62717692 CVMBEOZERSKVSQ-UHFFFAOYSA-N 222.336 2.044 0 40 BEAB O=C(O)COc1ccc2ccccc2c1O 65742962 LXSWIXILIIQGNV-UHFFFAOYSA-N 218.208 2.009 0 40 BEAB in-vitro OC[C@@H](c1ccc(F)c(F)c1)N1CCCCC1 70453251 JPGONXUVIJCZQD-ZDUSSCGKSA-N 241.281 2.484 0 40 BEAB CC(C)N1CCCC[C@H]1c1ccnc(N(C)C)n1 72382233 QXRXUEHEKFPRPW-ZDUSSCGKSA-N 248.374 2.478 0 40 BEAB CC(C)(C)C(=O)Nc1nc2c(s1)COCC2 75442716 UDRMTGCIZAPXGI-UHFFFAOYSA-N 240.328 2.200 0 40 BEAB CC[C@H](C)OC(=O)C[C@@H](CN)CC(C)C 83862707 OZAWAMOSDIREHB-QWRGUYRKSA-N 215.337 2.339 0 40 BEAB NC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 84946843 VDEFUSNRDGBFBF-ZDUSSCGKSA-N 240.297 2.278 0 40 BEAB Cc1ccc([C@@H](O)C2(CN)CC(C)C2)s1 85395947 UHOQGWATBWHJQM-BYIYDRLASA-N 225.357 2.465 0 40 BEAB CC(C)CC(C)(C)CNC(=O)N1CCOCC1 89802383 SAPPABJCEDEXCW-UHFFFAOYSA-N 242.363 2.101 0 40 BEAB Cc1noc(-c2ccc(Br)cn2)n1 90549672 CTNBHHKFCAFNSS-UHFFFAOYSA-N 240.060 2.203 0 40 BEAB CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2N 91675870 MUWURQCFDBXINK-IXBNRNDTSA-N 240.347 2.027 0 40 BEAB OCCN(CC1CC1)c1cccc(F)c1 95978894 MUINKTYHKUANDX-UHFFFAOYSA-N 209.264 2.034 0 40 BEAB COc1ccsc1C(=O)OCCSC 96443033 GKNGOWNLUNTGJU-UHFFFAOYSA-N 232.326 2.277 0 40 BEAB CN[C@H]1CCN(C[C@H](C)Cc2ccccc2)C1 97165795 HEGQPHRJUUZQNJ-HIFRSBDPSA-N 232.371 2.159 0 40 BEAB CN1CCCN=C1/C=C\c1cccs1 100299039 YSAUAVHXTIETRK-WAYWQWQTSA-N 206.314 2.495 0 40 BEAB fda CCc1cccc2c1ncc1c(=O)o[nH]c12 100889352 DPHHESGKPFDXAP-UHFFFAOYSA-N 214.224 2.232 0 40 BEAB O[C@@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 169686042 KEVUJQHBGRUWPR-FVCCEPFGSA-N 209.333 2.022 0 40 BEAB O=c1cc(Cl)[nH]c(C2CCCCC2)n1 207474042 NMRSRQMROLIQLI-UHFFFAOYSA-N 212.680 2.471 0 40 BEAB CCCOC1=CC(=O)N(c2ccc(OC)cc2)C1 227163628 RBRWCPDFWMKCDU-UHFFFAOYSA-N 247.294 2.352 0 40 BEAB CCOC(=O)[C@H]1CCN[C@@H]1c1ccc(F)cc1 257197973 OVVYFUJXQSDWMI-NWDGAFQWSA-N 237.274 2.039 0 40 BEAB COC(=O)c1cnc(O)c2scc(C)c12 953051635 QDELQIOIJCKOFZ-UHFFFAOYSA-N 223.253 2.097 0 40 BEAB CC(C)(C)OC(=O)N[C](C(=O)O)C(C)(C)C 1560406679 MWAVROHZVWSAOP-UHFFFAOYSA-N 230.284 2.174 0 40 BEAB O=C(c1ccccc1)C1C[C@H]2COC[C@@H](C1)C2=O 1772715206 WXDZTXFDBQIBQH-YHWZYXNKSA-N 244.290 2.111 0 40 BEAB COC(=O)c1cc2c([nH]1)C(F)(F)CCC2 1857793358 CFKFQOYZYJEFIV-UHFFFAOYSA-N 215.199 2.229 0 40 BEAB Cc1ccc(C)n1CCCn1ccnc1 165715 RVTJEACYMMLUDZ-UHFFFAOYSA-N 203.289 2.392 0 40 BEAB CC1(C)CNc2nnc(-c3ccccc3)n2C1 1101896 HPZHAADRAJQYDC-UHFFFAOYSA-N 228.299 2.397 0 40 BEAB COC(=O)COc1cccc2ccccc12 2039103 LDPICKNRMIPLLJ-UHFFFAOYSA-N 216.236 2.392 0 40 BEAB CCCCCC[C@@H](C)n1[nH]c(=O)cc1N 2411116 PNQUBAGJEIBGHU-SECBINFHSA-N 211.309 2.290 0 40 BEAB CC[C@@H](C)NCC(=O)Nc1cccc(C)c1 3270630 XRHQVVUGMMWYGW-LLVKDONJSA-N 220.316 2.322 0 40 BEAB c1ccc(Cc2n[nH]c(-c3cccnc3)n2)cc1 3382838 JBULHMQUIXZGAO-UHFFFAOYSA-N 236.278 2.458 0 40 BEAB CC(=O)N1CCN=C1SCc1ccc(C)cc1 4120344 GAKNAGVJORYTSD-UHFFFAOYSA-N 248.351 2.446 0 40 BEAB O[C@H]1CCCC[C@H]1CNCc1ccccc1 4262559 YJLQAIUYPBPBBG-KBPBESRZSA-N 219.328 2.327 0 40 BEAB CN(C)CCCNC/C=C/c1ccccc1 5267074 FACUYLWXOKZJLN-UXBLZVDNSA-N 218.344 2.241 0 40 BEAB CC(=O)[C@H](C[n+]1ccccc1)c1ccccc1 5883726 LMKHOPSGBATRQV-HNNXBMFYSA-N 226.299 2.347 0 40 BEAB Cc1cccc(Cl)c1NC(N)=S 6491138 BXWQWESKSRZQAY-UHFFFAOYSA-N 200.694 2.304 0 40 BEAB O=c1nc(-c2ccc(Cl)cc2Cl)[nH][nH]1 6511404 DIIBFIJJXULZQZ-UHFFFAOYSA-N 230.054 2.072 0 40 BEAB O=C(NCc1ccc(F)cc1)C1CCC1 8719455 IKBXDZOMUHWKNB-UHFFFAOYSA-N 207.248 2.242 0 40 BEAB Cc1ccc2c(Cn3ccnc3)cc(=O)oc2c1 10809541 JRRYTVPDQCQONO-UHFFFAOYSA-N 240.262 2.346 0 40 BEAB Cc1nn(C)cc1C(=O)N[C@@H](C)c1ccccc1 12015616 KRBJTFWUUDJQLP-JTQLQIEISA-N 243.310 2.220 0 40 BEAB Nc1nnc(-c2ccccc2Br)o1 12375701 LNDBYEJRHXWCOG-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB O=C(O)CN1CCC[C@@H]1c1cccc(F)c1 12397275 VTRGGNSEKSTOIE-LLVKDONJSA-N 223.247 2.047 0 40 BEAB CN1CCCN=C1/C=C\c1cccc(O)c1 13513607 VRYKTHBAWRESFI-SREVYHEPSA-N 216.284 2.139 0 40 BEAB CNC(=S)Nc1cccc(Cl)c1 13786863 ZPPUBEIFCAXVKJ-UHFFFAOYSA-N 200.694 2.256 0 40 BEAB CCc1ccc([C@H](C(=O)O)N2CCCC2)cc1 16872933 SMKPOOKSKDOPST-CYBMUJFWSA-N 233.311 2.471 0 40 BEAB Cc1cc(C)c2nc(CCCO)[nH]c2c1 26462276 KEEHMLJDCNEJKF-UHFFFAOYSA-N 204.273 2.105 0 40 BEAB COc1ncccc1CNC(=O)c1ccsc1 31320465 IJXASYXNXQSTIA-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB O=C(Nc1cn[nH]c1)c1cc(Cl)ccc1F 32828008 SZZRMIMXDFSVQG-UHFFFAOYSA-N 239.637 2.455 0 40 BEAB COC(=O)c1ccc2[nH]cc(CN(C)C)c2c1 39150668 KSWIFIALOGPLMM-UHFFFAOYSA-N 232.283 2.016 0 40 BEAB COC(=O)c1cc(N)ccc1N1CCCCCC1 41079920 PVZGZYYDHBOVFM-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB CN(C)C(=O)Nc1nc(-c2cccnc2)cs1 41566370 VZNBLVDICWMQOK-UHFFFAOYSA-N 248.311 2.299 0 40 BEAB CC(C)c1nc(CN2CCC[C@H](O)C2)cs1 48331252 MJXRFYYYFALTTB-NSHDSACASA-N 240.372 2.223 0 40 BEAB COC(=O)CCC(=O)c1ccc(F)cc1C 50568926 DUDZFGFLVWLPCH-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB CCCC[C@@H](CC)C(=O)N1CCNC[C@@H]1C 54369951 UZXUDMYHJNOLBS-NWDGAFQWSA-N 226.364 2.023 0 40 BEAB CSCC[C@H](N)c1nc(-c2ccco2)no1 54444957 RZHBWVJCJXDDOZ-ZETCQYMHSA-N 239.300 2.083 0 40 BEAB COc1ccc([C@H](O)c2ccccn2)cc1F 55262821 CZVOARFVBCSBSK-ZDUSSCGKSA-N 233.242 2.311 0 40 BEAB Nc1cc(-c2ccccc2)cc(C(=O)O)c1O 57339832 FNJSAYWTLIANOH-UHFFFAOYSA-N 229.235 2.340 0 40 BEAB COC(=O)C1(NC(=O)CC(C)C)CCCCC1 58264879 FMYBATRHRCOHMK-UHFFFAOYSA-N 241.331 2.025 0 40 BEAB Cc1ccc2c(c1)[C@H]1CCC[C@H]3NCCN2[C@@H]31 64038112 GMKHTMHRPNKUFI-UXIGCNINSA-N 228.339 2.423 0 40 BEAB CCOc1ccccc1-c1cnc(N)nc1 65419492 QTLMRGZAFTUFKG-UHFFFAOYSA-N 215.256 2.125 0 40 BEAB CCC(C)(C)C(=O)Nc1ccc(C)c(C(N)=O)c1 66440794 RWLQXMWOLWYEGL-UHFFFAOYSA-N 248.326 2.469 0 40 BEAB Cc1cc(C(F)(F)F)nc(C2CCNCC2)n1 71396377 IJOZGFDECJIXQO-UHFFFAOYSA-N 245.248 2.271 0 40 BEAB CC(=O)N[C@]1([C@H]2C=CCCC2)C=COCC1 72194100 CVVYCUUQSLWFTJ-QWHCGFSZSA-N 221.300 2.152 0 40 BEAB CN[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 72207698 LMCCXEPTKNFYKP-JTQLQIEISA-N 242.363 2.241 0 40 BEAB CCN1CC[C@H](c2cc3cccnc3[nH]2)C1 72361095 IHFWMDLQHPJENV-NSHDSACASA-N 215.300 2.372 0 40 BEAB CS(=O)(=O)N1CCCCC[C@H]1c1ccco1 76855278 STBBIODEDOGHAR-JTQLQIEISA-N 243.328 2.156 0 40 BEAB [O-][n+]1cc(C(F)(F)F)ccc1Br 76981562 LFQDPJNHUHLMTM-UHFFFAOYSA-N 241.994 2.101 0 40 BEAB Cc1cc(C[C@@H](C)N)n(-c2ccccc2)n1 82163840 NTRLVKNGJYRHQI-SNVBAGLBSA-N 215.300 2.070 0 40 BEAB OCc1cnc(CCc2ccccc2)s1 83943085 JEZILXVEVPNABC-UHFFFAOYSA-N 219.309 2.421 0 40 BEAB O=C(O)C1CC(Cc2ccccc2F)C1 83986975 RGTDWSGPQXCMEV-UHFFFAOYSA-N 208.232 2.479 0 40 BEAB O=C(O)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 90411037 ZHANYEUIYWYSAW-JTQLQIEISA-N 242.278 2.266 0 40 BEAB CC1(C)CCC[C@@H]1NCc1ccc(C(N)=O)cc1 94265982 JSILWHRYCSJIIN-ZDUSSCGKSA-N 246.354 2.454 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(CNc2ccccc2)n1 95534733 QMYCTJZEJVQECS-GFCCVEGCSA-N 245.330 2.073 0 40 BEAB OCC1(Oc2ccc(Br)cc2)CC1 96511785 MSPMNGJQAMWMCO-UHFFFAOYSA-N 243.100 2.353 0 40 BEAB CCOC[C@H](C)Nc1ccc([S@](C)=O)cc1 97371332 UYUHMSZIWBOKLC-MGPLVRAMSA-N 241.356 2.261 0 40 BEAB CNC(=O)c1cc2cc(C)c(C)cc2o1 98013867 XFXXUHLCIQAJQA-UHFFFAOYSA-N 203.241 2.409 0 40 BEAB COc1ccc([C@H]2C=C(C)Nc3nncn32)cc1 102435565 IUQIPGUGGFPSAQ-GFCCVEGCSA-N 242.282 2.205 0 40 BEAB Cc1cc(C(=O)[C@H]2CCCC2=O)c(C)o1 105748093 JZDAGQVMPUQGLL-VIFPVBQESA-N 206.241 2.448 0 40 BEAB COCCNC(=O)c1cc2cccc(C)c2o1 139437372 ZYHDDMSDGWEPFV-UHFFFAOYSA-N 233.267 2.117 0 40 BEAB COC(=O)Cc1c[nH]c2c(C)cccc12 157924972 RFPRDMVIHONZHK-UHFFFAOYSA-N 203.241 2.192 0 40 BEAB CCN(Cc1cc[nH]n1)c1ccccc1 191459806 PSROCOKHAMADJB-UHFFFAOYSA-N 201.273 2.436 0 40 BEAB CCCC(=O)N1CCC(c2ccnc(C)n2)CC1 205700136 HRJRJTIOCBFBBR-UHFFFAOYSA-N 247.342 2.291 0 40 BEAB CS[C@H]1CCN(C(=O)c2ccccc2)C1 211091625 XHYXVKWIMCGBFI-NSHDSACASA-N 221.325 2.264 0 40 BEAB c1ccc(COCCCNC2CSC2)cc1 306999026 ZCLZYJUVUYGJLT-UHFFFAOYSA-N 237.368 2.298 0 40 BEAB CC(C)(C)NC(=O)[C@@H]1CCN(CC2CCC2)C1 1889084171 RSSPHMPUJQNZJL-GFCCVEGCSA-N 238.375 2.023 0 40 BEAB O=C(Cc1ccccc1)Nc1cccnc1 889044 NYGIAKBYRXFSEN-UHFFFAOYSA-N 212.252 2.263 0 40 BEAB O=S(=O)(O)Cc1cccc2ccccc12 1641137 AKBIVIMPMQGECH-UHFFFAOYSA-N 222.265 2.228 0 40 BEAB CCCOC(=O)CCCC(=O)OCCC 1694748 IXAVSISAEGUDSL-UHFFFAOYSA-N 216.277 2.063 0 40 BEAB Cn1nnc2sc(-c3ccccc3)cc2c1=O 1785053 YWGNIQBACVXOFE-UHFFFAOYSA-N 243.291 2.057 0 40 BEAB CNCC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 2834525 QUKHPESKBXBATR-IBQNZTRDSA-N 221.344 2.381 0 40 BEAB CCC1(CC)NC(=O)N(Cc2ccccc2)C1=O 4308289 KBIRLWGLAPABBZ-UHFFFAOYSA-N 246.310 2.297 0 40 BEAB O=c1oc2ccccc2cc1-c1csnn1 4548230 KKPLQMFYEOTBEP-UHFFFAOYSA-N 230.248 2.312 0 40 BEAB CCn1/c(=N\N=O)sc2ccccc21 5105445 JNINLGOLQGICPU-MDZDMXLPSA-N 207.258 2.305 0 40 BEAB Cc1nc(CC(=O)NC2CCCC2)cs1 6767549 ZNGVCKXAVOBAIP-UHFFFAOYSA-N 224.329 2.053 0 40 BEAB O=C(NCc1ccc(F)cc1)c1ccccc1O 7345745 WADVWWCQYOTSLI-UHFFFAOYSA-N 245.253 2.461 0 40 BEAB CC(=O)C12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 8075007 MKSYFGOQROAZCW-ASZHBFLOSA-N 222.284 2.247 0 40 BEAB in-vitro CCCCn1ccnc1[C@H](O)C(F)(F)F 8132975 XZIZSQIAXRVGKW-ZETCQYMHSA-N 222.210 2.279 0 40 BEAB N[C@H]1CCCc2cc(Cl)ccc2[C@H]1O 8699465 VVEBJLSVIQAOJM-WDEREUQCSA-N 211.692 2.037 0 40 BEAB NCCCn1ccc(-c2ccc(F)cc2)n1 12357749 XSWNBLAPSFWEFF-UHFFFAOYSA-N 219.263 2.038 0 40 BEAB O=C1NC(=O)/C(=C/c2ccc(F)cc2F)S1 12485021 NQPOASFVPDVMMW-BAQGIRSFSA-N 241.218 2.289 0 40 BEAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)c(C)c1 12971380 ICNWKIZOJRUILK-LDYMZIIASA-N 247.294 2.376 0 40 BEAB O=C(NCCc1ccsc1)c1ccco1 13698227 FZBRJDDAFFEAGE-UHFFFAOYSA-N 221.281 2.314 0 40 BEAB COC(=O)c1cccn1-c1ccccc1 14684346 VNHNIQMRHXILOY-UHFFFAOYSA-N 201.225 2.264 0 40 BEAB CCc1ccc([C@@H](C(=O)O)N2CCCC2)cc1 16872934 SMKPOOKSKDOPST-ZDUSSCGKSA-N 233.311 2.471 0 40 BEAB Cc1ccccc1NCc1nnc(C)n1C 35696050 WKRZMKLGTLWPHQ-UHFFFAOYSA-N 216.288 2.044 0 40 BEAB Fc1ccccc1CO[C@@H]1CCCNC1 36034214 ZKHPALXDIDQTKU-LLVKDONJSA-N 209.264 2.094 0 40 BEAB COC(=O)c1ccccc1NCc1ccccn1 36891355 ZDSSMOFQNIHBTJ-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2 38343321 HWPHWBRCRWNTLX-ZACCUICWSA-N 240.347 2.184 0 40 BEAB O=C1NCCN1c1ccc(C(F)(F)F)cc1 39170464 USFKQMYFUUPKMV-UHFFFAOYSA-N 230.189 2.235 0 40 BEAB Cc1csc(CNC(=O)CSC(C)C)n1 40498761 BJVAZCWNMORQGL-UHFFFAOYSA-N 244.385 2.209 0 40 BEAB COc1ccccc1-c1cc(N)nc(C)n1 44119491 FZVWTUQNNQRYHM-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB O=C(O)c1c(F)cc(OC(F)F)cc1F 47203227 UYFODXZGBHYHBR-UHFFFAOYSA-N 224.109 2.264 0 40 BEAB in-vitro O=C(NCCc1cccc(F)c1)c1cccnc1 57553752 KXJZYUFKKOTWSL-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB Cc1ccccc1NC(=O)NC[C@@](C)(O)C1CC1 62021804 QBLDGIGMNXXHJB-CQSZACIVSA-N 248.326 2.278 0 40 BEAB CC(C)CCN1CCN(c2nccs2)CC1 65491312 VIIOUBZNMTXKBH-UHFFFAOYSA-N 239.388 2.311 0 40 BEAB CCOC(=O)c1cc(Br)ncc1C 71256037 SWGVZPFXMAEVQF-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB CC[C@H](NC)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207648 WWMPDIOQYHCOOR-QWRGUYRKSA-N 242.363 2.384 0 40 BEAB C[C@@H](CC(=O)Nc1ccccc1)[C@@H]1CCCN1 72208204 VFKXYTDTXIIOOX-AAEUAGOBSA-N 232.327 2.403 0 40 BEAB CCOC(=O)c1c(C)n[nH]c1-c1ccco1 72220731 GHDWIWIWOWFCHD-UHFFFAOYSA-N 220.228 2.155 0 40 BEAB Cc1c[nH]nc1C1CN(C2CCCC2)C1 72381174 GLSRDNAICPGIQW-UHFFFAOYSA-N 205.305 2.060 0 40 BEAB CN1CCC(CC(=O)N(C)c2ccccc2)CC1 74920984 WVQDTRVDIGRAFN-UHFFFAOYSA-N 246.354 2.381 0 40 BEAB OC1(c2ccc(Cl)cc2F)CCNCC1 87263465 HCSVWMUCAVUIPA-UHFFFAOYSA-N 229.682 2.050 0 40 BEAB C[C@H]1CN(Cc2ccon2)C[C@H](C)S1 89937104 NLYZUGFAXNYEPE-IUCAKERBSA-N 212.318 2.000 0 40 BEAB CC(C)CCC(=O)N[C@@H]1CCCc2cn[nH]c21 95423934 SGAWEDOGIHACOC-LLVKDONJSA-N 235.331 2.340 0 40 BEAB c1ccc(CNc2nnc3ccccn23)cc1 95464189 MQHZNELAIOSCII-UHFFFAOYSA-N 224.267 2.341 0 40 BEAB O[C@H](CCC1OCCCO1)c1ccc(F)cc1 95728536 MMXJIQIREGZAQU-GFCCVEGCSA-N 240.274 2.402 0 40 BEAB Cc1cc(CN2CC[C@H]3[C@H]2CCN3C)oc1C 96184263 UFIIQDCIMMNMSQ-UONOGXRCSA-N 234.343 2.175 0 40 BEAB O[C@@]1(CN2CCCC2)CSCc2ccccc21 96190447 KWPUKAAGSAAEPR-AWEZNQCLSA-N 249.379 2.217 0 40 BEAB CCCN1CCc2ncnc(C3CC3)c2CC1 96255117 XLHUOGREMKSUGX-UHFFFAOYSA-N 231.343 2.165 0 40 BEAB O=C(O)C1CCC(OC(F)(F)F)CC1 96395128 QGMWMYHMLLIPMI-UHFFFAOYSA-N 212.167 2.166 0 40 BEAB CC[C@H]1CCCCCN1CCCS(C)(=O)=O 96417469 IVHRVRWSAMVBAN-LBPRGKRZSA-N 247.404 2.076 0 40 BEAB CCOc1cccc(CS[C@@H](C)[C@@H](C)O)n1 96501858 RTIVVQCNMHZMME-ZJUUUORDSA-N 241.356 2.483 0 40 BEAB C[C@@H](N)CN(Cc1ccco1)C1CCCC1 96523889 XJPCBTIADHGJKE-LLVKDONJSA-N 222.332 2.371 0 40 BEAB CCc1noc(C[S@@](=O)CC2CCCC2)n1 97033786 VGKIUPZHPFLFRM-MRXNPFEDSA-N 242.344 2.071 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@H](C)N)c(OC)c1 108019117 RRLUYITYNNJRHP-UWJYBYFXSA-N 221.300 2.155 0 40 BEAB CCN(C)C(=O)[C@@H](C)NC[C@@H](C)c1ccccc1 188492535 FBTPPHFJGRWIMV-CHWSQXEVSA-N 248.370 2.247 0 40 BEAB C[C@H]1CCC[C@@H](CC(=O)NCCCC(=O)O)C1 195541414 OGFVKKRSNMCBTB-WDEREUQCSA-N 241.331 2.184 0 40 BEAB CS(=O)(=O)C[C@@H](C(=N)S)C1CCCCC1 217761154 QQRMRBFPOMEXCB-SECBINFHSA-N 249.401 2.135 0 40 BEAB CNc1ccc(Br)nc1C 228799958 SNPGDBPNYOTLNF-UHFFFAOYSA-N 201.067 2.194 0 40 BEAB O=C(c1onc2ccccc12)N1CCC(F)CC1 1558118289 MDOKHOANUBRBGJ-UHFFFAOYSA-N 248.257 2.402 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)CCC(=O)O 145099 CNNZRPLACXFIHZ-UHFFFAOYSA-N 241.674 2.452 0 40 BEAB O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1 187724 FIIZCXABWYGMAX-VIFPVBQESA-N 249.163 2.201 0 40 BEAB Cc1cccc(C(=O)n2ccc(C)n2)c1 504479 VNYQXFXYOQNZEW-UHFFFAOYSA-N 200.241 2.188 0 40 BEAB CCCc1ccc(C(=O)N2CCOCC2)cc1 1052280 ZNGXKGQSVNTAOI-UHFFFAOYSA-N 233.311 2.112 0 40 BEAB CN1CCC[C@@](C(=O)O)(c2ccccc2)CC1 1593286 RJTBKADDKPPZOZ-AWEZNQCLSA-N 233.311 2.125 0 40 BEAB COC(=O)[C@@H](Cc1ccccc1Cl)C(C)=O 4242338 MJVOECDQEZFFKP-JTQLQIEISA-N 240.686 2.261 0 40 BEAB COc1ccc(CC(=O)Nc2ccncc2)cc1 5335325 AFMGJWOROBPOSM-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB CCN(CC)CCNC(=O)c1ccc(C)cc1 5453439 QQESVQXBPBHHBD-UHFFFAOYSA-N 234.343 2.067 0 40 BEAB Cc1cc(C(=O)Nc2ccccc2F)on1 8941418 MWCFTYXDDDFALV-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB Cc1ccc(C)c(C(=O)[C@H]2CCCN2)c1 11630652 SPWWHVFQUNQHMW-GFCCVEGCSA-N 203.285 2.238 0 40 BEAB O=C(NC1CC1)c1ncoc1-c1ccc(F)cc1 19336505 SBRGAFZASWEXNN-UHFFFAOYSA-N 246.241 2.373 0 40 BEAB COC(=O)c1ccccc1-c1ccc(C(=O)O)o1 26479958 JDHNSZICDDHTFV-UHFFFAOYSA-N 246.218 2.431 0 40 BEAB COc1cccc2[nH]cc(CN(C)C)c12 32199540 UTDGDGFOENJMAA-UHFFFAOYSA-N 204.273 2.238 0 40 BEAB in-vitro Cc1ccc(-c2nc(C(=O)O)cs2)o1 32627514 YPGXXQWBQAXFNE-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB in-vitro C[C@H]1CN(Cc2ccccc2)C[C@@H](C)O1 32668106 LLKJAIKKDGIIJW-TXEJJXNPSA-N 205.301 2.296 0 40 BEAB CCN(C(=O)[C@H]1CCCO1)c1ccc(F)cc1 32738379 CKCYNGDOCRTEIC-GFCCVEGCSA-N 237.274 2.358 0 40 BEAB Cc1n[nH]cc1CNCCCc1ccccc1 35273990 GWWJLRLYDBULCC-UHFFFAOYSA-N 229.327 2.441 0 40 BEAB CN(C)C(=O)Cc1ccc(-n2cccc2)cc1 36393854 GJIXYDIOQJSQAC-UHFFFAOYSA-N 228.295 2.108 0 40 BEAB COc1cccc(-c2noc(Cl)n2)c1 37926779 SCMNELHOIBQQMD-UHFFFAOYSA-N 210.620 2.399 0 40 BEAB O=C(C[C@@H]1CCCN1)Nc1ccc(F)cc1F 42165676 LKWFFOYLEIHXJA-VIFPVBQESA-N 240.253 2.045 0 40 BEAB Cc1ccc(F)c(N2CCC[C@H](N)C2)c1 43470502 KWRYAKLAVSLUNX-JTQLQIEISA-N 208.280 2.062 0 40 BEAB in-vitro COCCCCN[C@H](C)c1cccnc1 44655510 CUNWIAUSRJQWTR-LLVKDONJSA-N 208.305 2.159 0 40 BEAB COc1cc(Br)nc2[nH]ccc12 44712599 IBYKNTWAHIGLFS-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB COC(=O)CN(Cc1ccc(C)cc1)C1CC1 45837906 JLDFQVXZSABGLK-UHFFFAOYSA-N 233.311 2.132 0 40 BEAB CC[C@H](C)NC(=O)Cc1ccccc1F 46463995 NTUYIRKVIRVWHP-VIFPVBQESA-N 209.264 2.283 0 40 BEAB Cc1cccc(-n2ncc(C=O)c2C)c1 48218271 QBSNHZSFFLRLEJ-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 48303284 UVRNQJDKNCDCDY-UHFFFAOYSA-N 223.703 2.460 0 40 BEAB O[C@@H]1CCCN(Cc2cccc3cccnc23)C1 48332840 ONEJUSKITDRDJT-CQSZACIVSA-N 242.322 2.192 0 40 BEAB CC[C@@H](C)c1noc([C@@H]2CCCCN2)n1 57340790 VRWPVXKKPDTGPK-BDAKNGLRSA-N 209.293 2.398 0 40 BEAB Cc1nc2cc(C(=O)N(C)C3CC3)ccc2n1C 58401269 AQOFFWHUFGLZEY-UHFFFAOYSA-N 243.310 2.116 0 40 BEAB c1ccc2nc(Nc3cn[nH]c3)cnc2c1 58406831 DTFDMPGGFGZAHC-UHFFFAOYSA-N 211.228 2.097 0 40 BEAB O=C(Nc1cc[nH]n1)[C@H]1C[C@H]1c1ccccc1 68440517 FYKXVAXNLRZOPO-QWRGUYRKSA-N 227.267 2.152 0 40 BEAB Cc1n[nH]c(NC(=O)Cc2cccc(F)c2)c1C 68992798 CQHHUQLDMWVPBR-UHFFFAOYSA-N 247.273 2.347 0 40 BEAB CC(C)OCCC(=O)N[C@H]1CCCC[C@H]1C 78416547 QBYKYFLKDCEVOF-NEPJUHHUSA-N 227.348 2.496 0 40 BEAB Cc1ccccc1-n1nc(N)c(C(F)(F)F)n1 89263494 GVKFHCLRBXCUHR-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB O=C(c1ccccn1)N1C[C@H]2CC=CC[C@H]2C1 89878914 BMLDGTMWPQYVEM-TXEJJXNPSA-N 228.295 2.120 0 40 BEAB O=C(OCCC[C@@H]1CCCO1)c1cscn1 97113173 OPLLDFBKHYOVEQ-VIFPVBQESA-N 241.312 2.259 0 40 BEAB COc1ccc([C@H]2CCC(=O)CC2=O)cc1OC 101704683 ASYTWWXTCSYMME-LLVKDONJSA-N 248.278 2.110 0 40 BEAB CCc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)o1 136828657 CCDWWHCZIYLKSA-NEPJUHHUSA-N 237.343 2.435 0 40 BEAB Cc1cccc2cc(C(=O)N3CCOCC3)oc12 139451689 FZQFUCVQWRSAAO-UHFFFAOYSA-N 245.278 2.214 0 40 BEAB CC(=O)Nc1cc(C)c(O)c(Br)c1 216738503 IHSHZPBQFZHITH-UHFFFAOYSA-N 244.088 2.422 0 40 BEAB COc1cccc(N[C@@H]2CCCC[C@@H]2N)c1 218858169 INOKVFDNRAAAPG-QWHCGFSZSA-N 220.316 2.377 0 40 BEAB CCCO[C@@H](Cc1ccccc1OC)C(=O)O 225098139 DHNYSOLTPVONNT-LBPRGKRZSA-N 238.283 2.118 0 40 BEAB O[C@@H](c1ncccc1Cl)C(F)(F)F 257198324 YZQTYULXUULZJC-LURJTMIESA-N 211.570 2.331 0 40 BEAB CCCc1cc(C(=O)N2CCC2(C)C)cc(O)n1 933299815 KPZLLQISMHRUQS-UHFFFAOYSA-N 248.326 2.364 0 40 BEAB Cc1cc2c(cc1Br)C(=O)NCC2 1775937812 ONAVPOABSXHSQC-UHFFFAOYSA-N 240.100 2.043 0 40 BEAB Cc1cncc2c(=O)n(-c3ccccc3)n(C)c12 1668602 AWIXPNHCBPNIGW-UHFFFAOYSA-N 239.278 2.033 0 40 BEAB COC(=O)CCC(=O)c1ccc2c(c1)CCC2 1855742 DPLXGTDPNMHXSC-UHFFFAOYSA-N 232.279 2.311 0 40 BEAB Cc1ccc(C)c(OCc2nnc(S)[nH]2)c1 3886772 DILNEKSYUKIWGV-UHFFFAOYSA-N 235.312 2.289 0 40 BEAB CCc1nccn1C(=O)NC1CCCCC1 6160399 SCIYTZHLUNQUEX-UHFFFAOYSA-N 221.304 2.336 0 40 BEAB CC(C)NC(=S)Nc1ccc2ncncc2c1 6358341 NULXVBSJTHKHBL-UHFFFAOYSA-N 246.339 2.325 0 40 BEAB CC1=Cc2ccccc2[C@H]1N[C@H](C)C(=O)O 8730582 MTKZXMLVZXNZJB-SKDRFNHKSA-N 217.268 2.207 0 40 BEAB c1ccc(CCNCc2ccco2)nc1 19916473 YWXVVNIDMJBPNK-UHFFFAOYSA-N 202.257 2.007 0 40 BEAB in-vitro CCOc1ccc(C(=O)OCC2CC2)cc1N 20155644 DIDQXKJMUQMUCV-UHFFFAOYSA-N 235.283 2.234 0 40 BEAB CC[C@H](C)NC(=O)c1sc(C)nc1C 21783991 BEEQVCPXJBUVSD-LURJTMIESA-N 212.318 2.288 0 40 BEAB CC(C)[C@H](NC(=O)CCC1CCCC1)C(=O)O 22211947 HVSXCIAKZVKELS-LBPRGKRZSA-N 241.331 2.182 0 40 BEAB CC1(C)C[C@@H](CNCc2cccnc2)CCO1 27666622 RESBHYVTSSHCPY-LBPRGKRZSA-N 234.343 2.376 0 40 BEAB CCn1nccc1CNC(=O)c1ccc(C)s1 28219531 VXICRRSSUPKZIJ-UHFFFAOYSA-N 249.339 2.203 0 40 BEAB C/C=C\C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 31903322 JNPAFAUEFHWJTA-XICOKMJESA-N 244.294 2.184 0 40 BEAB CN(C(=O)c1ccccn1)c1ccccc1 32133055 BUBUXKKHGVQAGY-UHFFFAOYSA-N 212.252 2.358 0 40 BEAB CCN(CC)[C@@H](CN)c1ccc(OC)cc1 32497017 XSGLRLYBPQGKSM-ZDUSSCGKSA-N 222.332 2.037 0 40 BEAB COC(=O)c1sc(SC)cc1OC 34563680 SJQIJNIIRLGYSQ-UHFFFAOYSA-N 218.299 2.265 0 40 BEAB O=C(c1cc(C2CC2)[nH]n1)N1CCCCCC1 36394805 YITIOPWWVGDYHN-UHFFFAOYSA-N 233.315 2.303 0 40 BEAB c1ccc(Cc2noc(CNCC3CC3)n2)cc1 36884510 FCIYCSKLGVHTTB-UHFFFAOYSA-N 243.310 2.160 0 40 BEAB C[C@](C(=O)O)(c1ccccc1)N1CCCC1 37359863 HIWHOHZULRSJMB-CYBMUJFWSA-N 219.284 2.082 0 40 BEAB biogenic,in-vitro CN(C)Cc1ccc(N)cc1Br 37460457 INGODICKVNXHMM-UHFFFAOYSA-N 229.121 2.093 0 40 BEAB in-vitro Cc1nc2ccccc2n1[C@H]1CCC[C@H]1O 37489910 BMHILEJFLIAHKZ-QWHCGFSZSA-N 216.284 2.431 0 40 BEAB Oc1ccc(SCc2nnnn2C2CC2)cc1 38000101 UVTWVHZNBKLRFD-UHFFFAOYSA-N 248.311 2.006 0 40 BEAB Nc1nc(Sc2ccccc2)ns1 40541936 UHIVUPYOCJTORR-UHFFFAOYSA-N 209.299 2.272 0 40 BEAB in-vitro COc1cccc(C(=O)c2ccccn2)c1OC 43210498 YCARGEZAUQNYPC-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB CCOC(=O)C(=O)c1cc(C)c(F)c(C)c1 43504448 MYQNHGKWJJMZHB-UHFFFAOYSA-N 224.231 2.188 0 40 BEAB O=CO[C@@H]1C[C@H]2CC(Br)=C[C@@H]1C2 45028169 BKXXZONWDXIKFB-BKPPORCPSA-N 231.089 2.237 0 40 BEAB CC(C)c1ccc(CN2C[C@@H](CN)CC2=O)cc1 70493325 RRXDDBICOJKRSD-CYBMUJFWSA-N 246.354 2.117 0 40 BEAB NNc1ccc(SC2CCCCC2)nn1 71289442 WFOGFXOVEHQZRX-UHFFFAOYSA-N 224.333 2.187 0 40 BEAB C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C 72208906 NGIVTSQPSSMURS-IUCAKERBSA-N 231.336 2.307 0 40 BEAB CC[C@H](N)[C@H](NC(=O)OC(C)(C)C)C(C)C 72208942 ITYCDWJGFHHPIF-VHSXEESVSA-N 230.352 2.273 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ncccc1C 72211165 JFKULILQGJIIPR-LBPRGKRZSA-N 218.300 2.464 0 40 BEAB COc1ccc([C@@H](N)c2ccccc2)cn1 72225053 YIABPMUKUGXYDM-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB CS[C@H]1CCC[C@@H]1N(C)Cc1ccno1 72896477 QDLCEWFDBKAZHQ-QWRGUYRKSA-N 226.345 2.391 0 40 BEAB C[C@@](O)(c1cccc(N)c1)C(F)(F)F 75846233 MMXMXXTVUOQSJY-MRVPVSSYSA-N 205.179 2.039 0 40 BEAB O[C@@H]1Cc2ccccc2[C@@H]1NCc1cccs1 83374464 VXRCVOULUBFHKG-KGLIPLIRSA-N 245.347 2.496 0 40 BEAB COc1ccc(OC)c(CNc2cc[nH]n2)c1 83925578 VLYCANYFZAFUQF-UHFFFAOYSA-N 233.271 2.039 0 40 BEAB COc1ccnc(CN(C)[C@@H]2CCSC2)c1 89937768 RHTZEWDDALXLFZ-LLVKDONJSA-N 238.356 2.028 0 40 BEAB CC(C)C[C@H](C)N[C@@H](C)CC(=O)NC(C)C 95423364 BCTUEEDKFRXWMY-RYUDHWBXSA-N 228.380 2.314 0 40 BEAB CCc1nc2n(n1)CCC[C@H]2NC1CCCC1 95423701 JEQOPTBNPYRFHZ-LLVKDONJSA-N 234.347 2.208 0 40 BEAB Cn1c(/C=C/C(=O)O)nc2ccc(Cl)cc21 95618979 VIHMWYJUWGMDGV-SNAWJCMRSA-N 236.658 2.325 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]2(CCOC2)C1 95937759 YDANAFGLZRTKPX-CYBMUJFWSA-N 241.331 2.424 0 40 BEAB Cc1nc(CN(CCCCO)C2CC2)cs1 96421145 IACVAFQENOWRTN-UHFFFAOYSA-N 240.372 2.188 0 40 BEAB COC(=O)[C@H](CC(C)(C)C)Sc1ncc[nH]1 96500988 BBFPGKPQEAKXGE-QMMMGPOBSA-N 242.344 2.480 0 40 BEAB O[C@@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 195575400 BWPFKUINQLEOGW-RKDXNWHRSA-N 244.241 2.008 0 40 BEAB NC[C@@H]1C[C@]12CCCN(Cc1ccccc1)C2 216594442 LEMUKCPOVGHJHT-GJZGRUSLSA-N 230.355 2.247 0 40 BEAB CCCOc1c(C(=O)O)ccn2cccc12 217657611 VNYPFUKNQHUTDX-UHFFFAOYSA-N 219.240 2.426 0 40 BEAB CO[C@@H](Cc1c(C)cc(C)cc1C)C(=O)O 221632716 XMPILNUWMWXWGK-LBPRGKRZSA-N 222.284 2.254 0 40 BEAB C[C@@]12CC[C@@H]3C[C@]1(N=[N+]=[N-])N([N+](=O)[O-])C[C@]32C 245241355 BNEFYAACHREMPQ-IMSYWVGJSA-N 237.263 2.327 0 40 BEAB CC1(C)C[C@H](O)CN(C(=O)OC(C)(C)C)C1 575441351 FFWSNKPDUUDKOO-VIFPVBQESA-N 229.320 2.014 0 40 BEAB COC(=O)C1(c2cccc(C)c2C)CC(=O)C1 685937112 JIGJVRBETHCWKJ-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB CCc1nnc(NC(=O)C=C(C)C)s1 1356271 GWCVTXRGOWISCA-UHFFFAOYSA-N 211.290 2.005 0 40 BEAB Sc1nnnn1-c1cccc2ccccc12 1603225 QUFRGNOIJAGRFY-UHFFFAOYSA-N 228.280 2.104 0 40 BEAB in-vitro Cc1cccc(C(=O)OCC(=O)NC(C)(C)C)c1 3442824 SXAFUOMBOSRBLS-UHFFFAOYSA-N 249.310 2.067 0 40 BEAB CNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 3562628 KCVNWRRVKOISKD-UHFFFAOYSA-N 246.310 2.175 0 40 BEAB Nc1nnc(Cc2cccc(Cl)c2)s1 3716243 JYCFJJIHQAFOMS-UHFFFAOYSA-N 225.704 2.365 0 40 BEAB in-vitro Cc1ccc(CN2CCCC[C@H]2C(=O)O)s1 3755725 QFMYAXNGNWJVBF-NSHDSACASA-N 239.340 2.496 0 40 BEAB Oc1ccc2ccc(O)c3[nH]cnc1c23 3844584 UQCXZXIMIRKBJR-UHFFFAOYSA-N 200.197 2.127 0 40 BEAB CC(C)CO[C@@H]1C(=O)CCC[C@H]1CCC(=O)O 4181826 IGZDTIAVSQHVMM-GWCFXTLKSA-N 242.315 2.262 0 40 BEAB CCOC(=O)Cc1csc(-c2ccccn2)n1 5010992 UJBZSOBEPDZRPC-UHFFFAOYSA-N 248.307 2.311 0 40 BEAB [O-][n+]1ccc(-c2cccc(Cl)n2)cc1 5580463 BYYSDWBIBQPDCC-UHFFFAOYSA-N 206.632 2.035 0 40 BEAB CN(Cc1ccccc1)c1ncccc1C(=O)O 11987232 ZQBZSTSUGRAXRW-UHFFFAOYSA-N 242.278 2.416 0 40 BEAB O=C(c1ccncc1)N1CCc2sccc2C1 12215402 ROPJPOVVYGFUNR-UHFFFAOYSA-N 244.319 2.342 0 40 BEAB CCn1nc(C)cc1C(=O)NCc1ccccc1 13699957 VBHSHGDRVSLDHO-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB CCCCNC(=O)c1ccc(Cl)cc1N 19278848 BCGDKUKKIRUNFB-UHFFFAOYSA-N 226.707 2.452 0 40 BEAB COc1ccc(N)cc1NC(=O)C1CCC1 21965059 VBZFUNPPQXGESH-UHFFFAOYSA-N 220.272 2.016 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@]12OC[C@H](CO)O2 21989125 ZBJCYZPANVLBRK-MROQNXINSA-N 228.332 2.183 0 40 BEAB CC(C)(C)OC(=O)NCCn1cccc1 26422559 KWGROYBBFCGZMV-UHFFFAOYSA-N 210.277 2.013 0 40 BEAB COc1ncccc1CNC(=O)[C@@H]1CC=CCC1 31319155 IZUXIVPXDDHUQM-LLVKDONJSA-N 246.310 2.063 0 40 BEAB N[C@H]1CCN(c2cccc3ccccc23)C1 33427025 ZPQSEBQJGIBLJP-LBPRGKRZSA-N 212.296 2.377 0 40 BEAB CC[C@@H](N)[C@@H](O)c1c(F)cccc1Cl 36779411 FMPJLTYAWDWGDH-PSASIEDQSA-N 217.671 2.250 0 40 BEAB in-vitro Clc1ncnc2[nH]c3c(c12)CCCC3 39149433 SFKNMBDVWLKVID-UHFFFAOYSA-N 207.664 2.490 0 40 BEAB Cc1cccc(CNC(=O)NCC2CC2)c1 45038807 MPEQLSVVOUUTRC-UHFFFAOYSA-N 218.300 2.204 0 40 BEAB CCOCc1ccc(CNC(=O)CC)cc1 45848722 BRRKCJKQOQAITD-UHFFFAOYSA-N 221.300 2.249 0 40 BEAB CCC(C)(C)NC(=O)c1ccc(C(=O)OC)cc1 46539148 FCKKRKJOBKIJQG-UHFFFAOYSA-N 249.310 2.392 0 40 BEAB CON(C)C(=O)Cc1cccc2ccccc12 47219240 FQZQSOJLFJCYGB-UHFFFAOYSA-N 229.279 2.402 0 40 BEAB O=C(NCCc1ccc(Cl)s1)NC1CC1 47719398 MRZBKVRMESDIBI-UHFFFAOYSA-N 244.747 2.406 0 40 BEAB O=C(CSc1ccccc1)NCC(F)(F)F 49535681 ILEYMEDFKBILNS-UHFFFAOYSA-N 249.257 2.457 0 40 BEAB CCOC(=O)[C@@H](O)c1ccc(Cl)c(F)c1 50976380 ZNSRYRUHAPLUPG-VIFPVBQESA-N 232.638 2.076 0 40 BEAB in-vitro Cc1cc(C)nc(SC[C@@H]2CCCCN2)n1 51608120 HOLDKGVIFZRYQS-NSHDSACASA-N 237.372 2.328 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 58393757 WHYVVYQRRWBCCY-MFKMUULPSA-N 230.311 2.229 0 40 BEAB O=C(O)[C@@H]1COc2ccc(Br)cc21 59540956 YWYNFOBRXXTNHA-SSDOTTSWSA-N 243.056 2.010 0 40 BEAB CCCN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C 65462773 JATCQMNAJOMXKN-CMPLNLGQSA-N 232.327 2.264 0 40 BEAB CCN(C)Cc1ccc(OC)c(OC)c1 70980236 JDHGMQPUWGJOGN-UHFFFAOYSA-N 209.289 2.156 0 40 BEAB CC(=O)Nc1ccc2c(c1)C1CCN2CC1 71404361 DAUZARYYBNFERY-UHFFFAOYSA-N 216.284 2.342 0 40 BEAB COCCCSc1ncc2ccccn12 71918006 PKVDLWGPZCRSAZ-UHFFFAOYSA-N 222.313 2.463 0 40 BEAB CCCCOC(=O)[C@H](C)Sc1nccn1C 71922105 FYYGXHKRTJRLKL-VIFPVBQESA-N 242.344 2.244 0 40 BEAB Cc1cc(N)ncc1C(=O)c1ccccc1 72223078 LDYSSFBDUPWWKK-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB Cc1ncccc1C(=O)OC[C@H]1CCCCO1 78797105 WWWSTDHVRYEETP-LLVKDONJSA-N 235.283 2.116 0 40 BEAB Clc1ccc(-c2nc(-c3cnccn3)no2)o1 84509785 VBIFENMIMPVDOP-UHFFFAOYSA-N 248.629 2.440 0 40 BEAB CC[C@@H](C(=O)Nc1cccc(F)c1)N(C)C 84718771 NOZZBOYFLIREOX-NSHDSACASA-N 224.279 2.104 0 40 BEAB Cc1cc2c(c(=O)[nH]1)[C@@H](CC(C)C)CC(=O)O2 85878967 JCLLXRPREWBASL-VIFPVBQESA-N 235.283 2.122 0 40 BEAB biogenic CC(=O)N[C@H](C)Cc1ccc(C)cc1C 95394132 ZOTMDMYEQFVJQU-LLVKDONJSA-N 205.301 2.371 0 40 BEAB C[C@@H](NC[C@H](C1CC1)N(C)C)C(C)(C)C 95420557 MHYOZZSVDXYXMW-ZYHUDNBSSA-N 212.381 2.351 0 40 BEAB CCO[C@H](CC)C(=O)Nc1ccccc1O 95442659 CQZHACWJVSTDBM-LLVKDONJSA-N 223.272 2.146 0 40 BEAB CCO[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 95949256 LDLJGTHFAHPHCW-JTQLQIEISA-N 235.283 2.253 0 40 BEAB CC/C=C(\C)C(=O)Nc1cccc(NC(N)=O)c1 96298152 AYGPMVWHBSFGAP-WEVVVXLNSA-N 247.298 2.472 0 40 BEAB C[C@@]1(CO)CCC[C@H]1Nc1cccc(F)n1 96427229 RILYTQYABVNSCC-SKDRFNHKSA-N 224.279 2.184 0 40 BEAB COC(=O)c1cnc2c(OC)cccc2c1 118282804 XBECGVTYRLAIEO-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB CCCCNC(=O)C1(c2ccc(N)cc2)CC1 125956365 LYSQWHNZUZRABK-UHFFFAOYSA-N 232.327 2.217 0 40 BEAB C[C@H]1CC[C@H](NC[C@@]2(O)CCSC2)[C@@H](C)C1 195560720 UOVYKBYSDHCBEG-CYDGBPFRSA-N 243.416 2.269 0 40 BEAB Cc1c(F)cccc1C(=O)c1ccncc1N 199711899 CXJVHURIOSSPTM-UHFFFAOYSA-N 230.242 2.342 0 40 BEAB COc1c(Br)ccc2[nH]cnc12 205847265 WXEGSZOXVYWAQV-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB CCc1nsc(SCc2ncccn2)n1 225624308 IILMVYBVWUDBMD-UHFFFAOYSA-N 238.341 2.183 0 40 BEAB Cc1c(Cl)cccc1N=c1ccc(C#N)n[nH]1 397050383 SNLJKAJBWXMRCR-UHFFFAOYSA-N 244.685 2.476 0 40 BEAB CC[C@@H](C)n1ncc(Cl)c1C(=O)OC 408716819 RIPWFCUAXDUTSW-ZCFIWIBFSA-N 216.668 2.294 0 40 BEAB O=c1c(Cl)nccn1C1CCCCC1 409423096 OQURDOVWXYYQFN-UHFFFAOYSA-N 212.680 2.402 0 40 BEAB COc1cnc2ccc(F)cc2c1C(=O)O 675052042 VRPHSGLZPRKONC-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB CNc1ncc(-c2cc(C)co2)nc1C 906175881 CIPUFVMJBQLZST-UHFFFAOYSA-N 203.245 2.395 0 40 BEAB O=C(NC1CCCC1)c1ncnc2c1CCCC2 1888834708 KDNHBHGDBMAFLM-UHFFFAOYSA-N 245.326 2.028 0 40 BEAB c1cncc(-c2noc(-c3ccncc3)n2)c1 426184 GHDCSGSHVOUHBL-UHFFFAOYSA-N 224.223 2.194 0 40 BEAB CC(=O)NCCC(=O)Oc1c(C)ccc(C)c1C 3374223 IATBXDUYFZTFSJ-UHFFFAOYSA-N 249.310 2.043 0 40 BEAB CC[C@@H]1CCCCN1c1ccc(N)cn1 11568756 IUMXSODXNVPVLC-LLVKDONJSA-N 205.305 2.433 0 40 BEAB CC(C)CN(CCCC(=O)O)CC(C)C 11864748 RQVGQNMRDVDDOU-UHFFFAOYSA-N 215.337 2.465 0 40 BEAB COc1ccc(Cl)cc1-n1cnnc1S 16972640 ZNYJQSTZSPNJRW-UHFFFAOYSA-N 241.703 2.218 0 40 BEAB CC[C@H](C)NCc1ccc(O)c(OC)c1 19881844 GAWZWSLGHXRVHE-VIFPVBQESA-N 209.289 2.289 0 40 BEAB CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 29278419 DUALXAWNGLRRCV-UHFFFAOYSA-N 215.256 2.425 0 40 BEAB Cc1nn(-c2ccncc2)c(Cl)c1C=O 35779506 WUPNHWOSFJFFNO-UHFFFAOYSA-N 221.647 2.042 0 40 BEAB Nc1c(Cl)ncnc1Nc1ccccc1 39235240 BGIJOHFJMJTUHK-UHFFFAOYSA-N 220.663 2.456 0 40 BEAB O=C(CC(F)(F)F)NCCc1ccccc1F 40496687 UIHAMZXGPIJLBQ-UHFFFAOYSA-N 249.207 2.437 0 40 BEAB Cc1ccc(C(=O)O)cc1OC(F)F 42238283 JMFLMTHEUHPHGJ-UHFFFAOYSA-N 202.156 2.295 0 40 BEAB COCC(=O)c1ccc(Cl)cc1OC 43504741 AAEIOZNKLMGZIE-UHFFFAOYSA-N 214.648 2.178 0 40 BEAB CCCS(=O)(=O)Oc1ccc(Cl)cc1 45929283 GHDWEKWPLCXJEV-UHFFFAOYSA-N 234.704 2.459 0 40 BEAB C[C@@H](NC(=O)c1cnns1)c1ccccc1 47409724 RBZILIKTJFWPFE-MRVPVSSYSA-N 233.296 2.029 0 40 BEAB O=C(CSC(F)(F)F)NCC1CCC1 48181123 XFTRSFOXCJQBEU-UHFFFAOYSA-N 227.251 2.156 0 40 BEAB CCOc1ccc([C@H]2CCC(=O)O2)cc1 49813416 IAHFNRGDXBBKDQ-LLVKDONJSA-N 206.241 2.463 0 40 BEAB COc1ccc(CNc2cccnn2)cc1 52815876 SYGBTJVMKCBAQE-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB Fc1cc(F)cc(OC[C@H]2CCCN2)c1 54933126 REAWYCNUKZQGIX-SNVBAGLBSA-N 213.227 2.096 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCCN1CCCCCC1 57288878 JHKGLUMAXBHWOZ-OLZOCXBDSA-N 238.375 2.025 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 58264749 KMEOZQHYWHCJLU-ZYHUDNBSSA-N 245.326 2.276 0 40 BEAB C[C@H](CCc1ccccc1)N[C@H]1CCOC1 70964729 JOOZSNTXHDGLDA-OCCSQVGLSA-N 219.328 2.386 0 40 BEAB O=Cc1ccc(N2CCc3ccccc3C2)nc1 72225758 IQACMSZVUSINMI-UHFFFAOYSA-N 238.290 2.457 0 40 BEAB CC(C)(C)OC(=O)c1sccc1CN 72266201 WJGCUJNNRITMKZ-UHFFFAOYSA-N 213.302 2.162 0 40 BEAB C[C@H](O)c1ccc([C@H]2CCCNC2)cc1 75905353 SICFBBWCTCWIKC-GWCFXTLKSA-N 205.301 2.207 0 40 BEAB CC(C)Cn1c(C=O)ccc1Cn1ccnc1 78404640 ACXOBRUCJAKHGL-UHFFFAOYSA-N 231.299 2.201 0 40 BEAB CC(C)N(CC(=O)O)Cc1ccc(Cl)nc1 79430914 NFBLGVDLWGUDJN-UHFFFAOYSA-N 242.706 2.030 0 40 BEAB CSc1ccc(F)c(C(=O)O)c1F 90413672 CYFIPPYTMKMXGP-UHFFFAOYSA-N 204.197 2.385 0 40 BEAB COCCC(C)(C)CNC(=O)NC1CC=CC1 97115828 ABWMGKGOQMJBSD-UHFFFAOYSA-N 240.347 2.067 0 40 BEAB COC[C@@H](C)Nc1cccc(-c2noc(C)n2)c1 97162435 UTRXUJOGZRORMT-SECBINFHSA-N 247.298 2.492 0 40 BEAB NN[C@@H](c1ccncc1)c1ccc(Cl)cc1 161808933 CLQYCIOMBCTWAA-GFCCVEGCSA-N 233.702 2.288 0 40 BEAB CC(C)(C)N(C(=O)O)C1CC2(CCNCC2)C1 215639041 OBYIMJBNSUMRTP-UHFFFAOYSA-N 240.347 2.297 0 40 BEAB c1nc(C2CCC2)cc(N2C[C@H]3C[C@H]2CS3)n1 585149279 FLSPOTAJIKKVHW-WDEREUQCSA-N 247.367 2.438 0 40 BEAB c1cc(O[C@H]2CCSC2)nc(C2CC2)n1 585651545 FDNWZHFAPRCQBG-VIFPVBQESA-N 222.313 2.238 0 40 BEAB CC1(CC(=O)N2CC3(C2)CC(F)(F)C3)CC1 683250109 VRXVCVLBNCKFAY-UHFFFAOYSA-N 229.270 2.434 0 40 BEAB FC[C@H]1CCN(c2cc(C3CC3)ncn2)C1 882839426 QRUWOPQNGYHZKK-SECBINFHSA-N 221.279 2.150 0 40 BEAB CNC(=O)Sc1ccc(C)c(N(C)C)c1 1716718 NQXJJBLMHNQDRI-UHFFFAOYSA-N 224.329 2.493 0 40 BEAB CCC(=O)Nc1cccc(OC(=O)N(C)C)c1 1756359 QWNDYCWYSZWAKM-UHFFFAOYSA-N 236.271 2.096 0 40 BEAB ClC1(Cl)[C@H]2[C@H]1CCCC21OCCO1 1766089 ANGZSUYAEODLHM-RQJHMYQMSA-N 223.099 2.333 0 40 BEAB CCCCC(=O)Nc1nnc(CC)s1 2030192 BAYWWYRIOMKGSA-UHFFFAOYSA-N 213.306 2.229 0 40 BEAB CCOC(=O)c1cc(C(F)(F)F)ccc1N 2576319 PUFWHBHFUZPDGG-UHFFFAOYSA-N 233.189 2.464 0 40 BEAB O=C(O)C(CCC1CCC=CCC1)C(=O)O 4921496 DMKGSUKGASURCX-UHFFFAOYSA-N 226.272 2.298 0 40 BEAB C/C(=C\c1ccccc1)C(=O)NCCCN(C)C 6261723 DNOYTOYVNCRHHO-OUKQBFOZSA-N 246.354 2.158 0 40 BEAB CC(C)c1n[nH]c(SC[C@H]2CCCO2)n1 6782167 FXXCECMXBPMFNO-MRVPVSSYSA-N 227.333 2.199 0 40 BEAB C[C@@H](c1ccccc1)N1CCC(N)CC1 11729500 PFQXDUKLHMLEHY-NSHDSACASA-N 204.317 2.171 0 40 BEAB in-vitro COc1ccc(C(=O)Nc2ccncc2)c(F)c1 12528568 HHUWYUACAAUMAB-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CNCc1cc(-c2ccc(OC)cc2)no1 12778398 MVACDWSLSFIGER-UHFFFAOYSA-N 218.256 2.070 0 40 BEAB in-vitro Cc1cccc(CNC(=O)c2ccncc2)c1 12990037 IKVBFPDSGJXZJO-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB CC(C)NC(=S)NCCCc1ccccc1 13817424 VCQVWPWNCQDXSJ-UHFFFAOYSA-N 236.384 2.492 0 40 BEAB CCOC(=O)Cc1c[nH]c2ccc(OC)cc12 14455598 BKLVSUXXCBDUBQ-UHFFFAOYSA-N 233.267 2.282 0 40 BEAB CCOC(=O)[C@@H](C)C(=O)c1cccs1 15781677 AXWZJOZJORQOKU-ZETCQYMHSA-N 212.270 2.130 0 40 BEAB in-vitro O=C(c1cc(-c2ccccc2)[nH]n1)N1CCCC1 17356469 QJBRXSIASUKMRJ-UHFFFAOYSA-N 241.294 2.313 0 40 BEAB Cc1ccc(-c2noc([C@H](C)N)n2)cc1F 21808527 LHEXBYBMDYIUJD-ZETCQYMHSA-N 221.235 2.204 0 40 BEAB in-vitro C[C@@H]1C(=O)NCCc2ccc(Cl)cc21 22011742 GWMXBSJNHZORGS-ZETCQYMHSA-N 209.676 2.116 0 40 BEAB in-vitro O=C(Nc1cccc(F)c1)c1n[nH]cc1Cl 28226361 UHQXJHXFSLMRRE-UHFFFAOYSA-N 239.637 2.455 0 40 BEAB CC(C)Sc1nc2sccc2c(=O)n1C 29356638 IHBPNTFUYROJGM-UHFFFAOYSA-N 240.353 2.496 0 40 BEAB O=Cc1cc(Cl)c(=O)n(Cc2ccccc2)c1 29753700 HQWQYLKUXAWNRR-UHFFFAOYSA-N 247.681 2.363 0 40 BEAB COc1ccc([C@H](CN)N2CCC(C)CC2)cc1 32522374 GQYRFJTWOUTTBI-HNNXBMFYSA-N 248.370 2.427 0 40 BEAB CCCn1nccc1C(=O)N1CCCC[C@H]1C 32611531 ZNWLCYGFHPCMSH-LLVKDONJSA-N 235.331 2.308 0 40 BEAB C[C@H](CO)Nc1ncnc2c1oc1ccccc12 32809701 YDRQWQWOOYKRQR-MRVPVSSYSA-N 243.266 2.169 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(F)c1 33000208 FXFOWOCDQSUHIW-JOYOIKCWSA-N 221.275 2.440 0 40 BEAB Nc1cc(CCCc2cccs2)no1 34939713 YKPXHDZGGCTGBA-UHFFFAOYSA-N 208.286 2.494 0 40 BEAB in-vitro CC(C)C(=O)NC[C@H](c1cccs1)N(C)C 36079474 ODGRSLRAMVVFDE-SNVBAGLBSA-N 240.372 2.123 0 40 BEAB Cc1ccc(C)c(CN2CCC[C@H](O)C2)c1 38539879 AUMYBFXUKLHVBL-AWEZNQCLSA-N 219.328 2.260 0 40 BEAB CN(C)c1nc(-c2ccc(N)cc2)cs1 40176481 DIQKKCVWFKETQV-UHFFFAOYSA-N 219.313 2.458 0 40 BEAB Cc1ccccc1COC[C@@H]1CCNC1 42771877 YWGKARSLELFUKA-GFCCVEGCSA-N 205.301 2.121 0 40 BEAB Cc1ccsc1CNC(=O)[C@@H](C)n1cccn1 45536672 CCPVDMOSTXWBJG-SNVBAGLBSA-N 249.339 2.130 0 40 BEAB Cc1cc(SCCO)cc2sc(N)nc12 45946611 KNJZWPRDYWMQEV-UHFFFAOYSA-N 240.353 2.271 0 40 BEAB FC(F)(F)c1cnc(Br)nc1 47212289 FEAGCADVLQYESC-UHFFFAOYSA-N 226.983 2.258 0 40 BEAB Cc1ccc(CCCC(=O)Nc2nc[nH]n2)cc1 48345745 MMQPLFYEDJDXSH-UHFFFAOYSA-N 244.298 2.075 0 40 BEAB COCCN1CCC[C@H]1c1cccc(OC)c1 54978924 SKEHVARUNOKKRZ-AWEZNQCLSA-N 235.327 2.479 0 40 BEAB CC(C)Cn1ccnc1NC(=O)c1ccco1 58230268 GFGMNEYITDMFRW-UHFFFAOYSA-N 233.271 2.384 0 40 BEAB OCCCc1ccc(OC(F)F)cc1 62720281 WSTHTKTWNBKLBF-UHFFFAOYSA-N 202.200 2.213 0 40 BEAB CCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 71728035 YJZHWAHHDUWLBR-LLVKDONJSA-N 249.310 2.146 0 40 BEAB CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1 71908044 YKLZPNIUYQIPBG-OLZOCXBDSA-N 239.359 2.450 0 40 BEAB O=C(O)/C=C/c1ccnc2ccc(F)cc12 72206437 RBVZBYBJRUNMID-DAFODLJHSA-N 217.199 2.472 0 40 BEAB O=C(O)C[C@H](c1ccccc1)[C@@H]1CCCNC1 72208311 RVDWLXJKVABGBV-CHWSQXEVSA-N 233.311 2.245 0 40 BEAB Cc1nc(N(C)C)ccc1[C@@H]1CCCN1C 72218725 SJPGJTJUEQWKSO-LBPRGKRZSA-N 219.332 2.223 0 40 BEAB CNc1ncc([C@H]2CCCCN2C=O)cc1C 72219013 LAARERSOFVETOS-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB CC[C@@H](N)c1cnc(NC2CC2)c(C)c1 72222775 PTKIRIPYJGANNQ-LLVKDONJSA-N 205.305 2.374 0 40 BEAB COc1cccc(C(=O)NCC(C)(C)C)c1 75909886 PAROHZMQDPOESB-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB Cc1ccc(F)c(N)c1Br 75915339 ZQJFDFVJQTVXFA-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB in-vitro CO[C@H](C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 78974512 FOHTXAJZYGDIFL-IJLUTSLNSA-N 235.327 2.330 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CCNC2)C1 83339334 DVXNFYCGXYZJDI-ZWNOBZJWSA-N 240.347 2.043 0 40 BEAB C[C@H](CC(=O)N1CCCC1)n1cccc1 89894515 YDNPXXPRWRAUSL-LLVKDONJSA-N 206.289 2.062 0 40 BEAB NCc1ccc(C(=O)c2cccs2)s1 90397610 ZLKQQCOUYVGBHE-UHFFFAOYSA-N 223.322 2.499 0 40 BEAB Cc1cncc(C(=O)Nc2cc(O)cc(F)c2)c1 95450285 CAEYRQJKRZVDJQ-UHFFFAOYSA-N 246.241 2.487 0 40 BEAB COC(=O)c1ccc(Cn2ccnc2C)c(F)c1 95990945 CEQSIZNGKYHTDT-UHFFFAOYSA-N 248.257 2.166 0 40 BEAB c1ccc(-c2nc([C@@H]3COCCN3)cs2)cc1 96218003 POWSRGMOUDDVFR-NSHDSACASA-N 246.335 2.471 0 40 BEAB C[C@@H]1CCCC[C@H]1CNCC1(CO)CC1 97086587 FDMZTADUSKHIMW-NEPJUHHUSA-N 211.349 2.175 0 40 BEAB COc1ccc2ccn(CCSC)c(=O)c2c1 97378072 DKNJYHDIFRSSCD-UHFFFAOYSA-N 249.335 2.373 0 40 BEAB FC(F)(F)C1(Br)CCOCC1 97439033 DBITXXMILYFCBV-UHFFFAOYSA-N 233.027 2.493 0 40 BEAB CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 100392399 XQJMXPAEFMWDOZ-BTTYYORXSA-N 245.322 2.469 0 40 BEAB biogenic,in-vitro Cc1ccccc1CN[C@H]1CC[C@H](N)CC1 100809528 SYCBVMAJHVHPLJ-OKILXGFUSA-N 218.344 2.355 0 40 BEAB COc1cccc(OC)c1-c1cc(C(=O)O)no1 107039936 ZYYFAXSRERVOOC-UHFFFAOYSA-N 249.222 2.057 0 40 BEAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1 136199665 KMBYZBYRJLMRAY-ZDEQEGDKSA-N 243.306 2.017 0 40 BEAB O=C1CCN[C@H](c2ccc(Cl)cc2Cl)N1 209611913 CGGFDMBHRDTJDC-JTQLQIEISA-N 245.109 2.102 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1cncc(Cl)c1 252483218 DXKABCCNKZTURV-LDYMZIIASA-N 226.707 2.175 0 40 BEAB O[C@H](c1ncccc1Cl)C(F)(F)F 257198325 YZQTYULXUULZJC-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB Nc1cc2cccnc2nc1C(F)(F)F 718967261 GLUVQOARJSGDIE-UHFFFAOYSA-N 213.162 2.231 0 40 BEAB Cc1cnn(-c2nc3ccccc3nc2C)c1 1775965778 HGRAEKPKBSHDJN-UHFFFAOYSA-N 224.267 2.432 0 40 BEAB COC(=O)CCc1[nH]c2ccccc2c1C=O 54913 PLPUQTBXPLLKSE-UHFFFAOYSA-N 231.251 2.086 0 40 BEAB CCN1C(=O)[C@](F)(CC)C(=O)c2ccccc21 344059 SKAVWCIZFKTYDC-ZDUSSCGKSA-N 235.258 2.354 0 40 BEAB CCSc1cnnc(O)c1SCC 385720 SQGVATRNLHWTNM-UHFFFAOYSA-N 216.331 2.406 0 40 BEAB O=C(Oc1ccccn1)c1cccc(F)c1 523403 FTSJAWMKWNKTDT-UHFFFAOYSA-N 217.199 2.440 0 40 BEAB CC(C)NC(=O)CSc1ccccc1 577916 LPUKQJDBTKYJRA-UHFFFAOYSA-N 209.314 2.303 0 40 BEAB O=C1NC(=O)/C(=C/c2ccsc2)S1 1204551 YIBJLSACWOVLEB-UTCJRWHESA-N 211.267 2.072 0 40 BEAB S=C(NC[C@H]1CCCO1)c1ccccc1 1443670 RWKCPHHZFDLSDN-LLVKDONJSA-N 221.325 2.131 0 40 BEAB CCCCCCC(=O)O[C@H](C)C(=O)OC 1628043 AMUQUFKUEZMRHI-SECBINFHSA-N 216.277 2.062 0 40 BEAB CCOc1ccc(NC(=O)CN2CCCC2)cc1 2033239 FVXMWBRIWOBFMQ-UHFFFAOYSA-N 248.326 2.120 0 40 BEAB O[C@H](c1ccccc1)C1(O)CCCCC1 2044401 IHBQQMPFWYZRPM-GFCCVEGCSA-N 206.285 2.415 0 40 BEAB COc1ccc(/C=C/C(=O)O)c(C)c1C 2504921 NLBZFUNXIYHKBV-FNORWQNLSA-N 206.241 2.410 0 40 BEAB COc1cc(Cl)cc(C(=O)O)c1OC 3172899 LRURKYFKJPEOMX-UHFFFAOYSA-N 216.620 2.055 0 40 BEAB C[n+]1ccccc1/C=C\c1ccc(O)cc1 4567017 WLHKMTNVCBYKQU-UHFFFAOYSA-O 212.272 2.387 0 40 BEAB Cc1cccc2c1NC(=O)[C@@H]1[C@@H](C)CC(=O)O[C@@H]21 5943102 NONFWADWZXFNGC-KDDOJWQBSA-N 245.278 2.187 0 40 BEAB COc1ccccc1-c1oncc1C(=O)O 8700114 ZNHBVBDXZHGKMW-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB in-vitro O=C(NCc1ccccc1)NCc1ccco1 9253631 OQYFUSINRCJTAJ-UHFFFAOYSA-N 230.267 2.279 0 40 BEAB CCCCC[C@@H](CC)NC(=O)CCC(=O)O 11949042 FJCZZFYTGDGHLO-SNVBAGLBSA-N 229.320 2.326 0 40 BEAB Cc1ccc(OCCN2CCCCC2)c(N)c1 13992564 PNSVCPXGNCLPAA-UHFFFAOYSA-N 234.343 2.442 0 40 BEAB O=c1cc(C2CCCCC2)[nH]c(=S)[nH]1 17418510 RONPYGBTCPNBSA-UHFFFAOYSA-N 210.302 2.480 0 40 BEAB CCCN1C(=O)COc2ccc(Cl)cc21 19992314 IRDFLLUBPFPKTP-UHFFFAOYSA-N 225.675 2.475 0 40 BEAB CC[C@@H](C)[C@@H](C)NCc1nnc2ccccn12 20185716 BCVCKJNRIKGFEY-GHMZBOCLSA-N 232.331 2.254 0 40 BEAB C[C@@H](NC(=O)CC(C)(C)C)c1cnn(C)c1 27919787 AEXDJYZSZKSYNW-SECBINFHSA-N 223.320 2.034 0 40 BEAB O=C(N[C@@H]1CCCc2occc21)c1ccccn1 32771116 SFNKKBGDOVZMRI-LLVKDONJSA-N 242.278 2.482 0 40 BEAB Cc1cccc(Cl)c1N1CCNCC1 34331671 LLRASTFXRZBMKP-UHFFFAOYSA-N 210.708 2.058 0 40 BEAB Cc1ccc([C@H](O)CNC(=O)C2CCCC2)cc1 36397310 FKQAKABHILEWAL-CQSZACIVSA-N 247.338 2.335 0 40 BEAB O=C(OCC[C@H]1CCCNC1)C1CCCC1 42769366 YHKFPVKPYRMXJY-LLVKDONJSA-N 225.332 2.110 0 40 BEAB c1ccc(SC[C@@H]2CCCCN2)nc1 43495250 KFMVFUSCFOGXFW-JTQLQIEISA-N 208.330 2.316 0 40 BEAB Cc1nn(-c2cc(=S)[nH]cn2)c2c1CCC2 45918653 NCNLNVWCJOGPCL-UHFFFAOYSA-N 232.312 2.122 0 40 BEAB COc1ccc(NC(=O)NC2CC2)cc1F 48450998 RNTWVQIYUYHMBB-UHFFFAOYSA-N 224.235 2.118 0 40 BEAB OCc1nccc(C(F)(F)F)c1Cl 52507814 UZGLGJAXMRKALC-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB O=C(NCC(F)(F)F)Oc1ccccc1 70237662 BAFCHDGEGUNIRS-UHFFFAOYSA-N 219.162 2.337 0 40 BEAB O=Cc1ccc(C(=O)O)c2ccccc12 71256873 INKOQGZWHUTYIW-UHFFFAOYSA-N 200.193 2.351 0 40 BEAB CCC[C@H]1CCCC[C@@H]1NC(=O)COC 71796115 GEFMBXWDCJMAFY-QWRGUYRKSA-N 213.321 2.108 0 40 BEAB Cc1nccc([C@H]2CCCN(CC3CC3)C2)n1 72350798 SEOHCZWTMQGHPF-ZDUSSCGKSA-N 231.343 2.374 0 40 BEAB CN[C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 79437583 SSLOSKCKBZUWFU-GHMZBOCLSA-N 242.363 2.384 0 40 BEAB CCO[C@H]1C[C@@H](N(C)C(C)=O)C12CCCC2 84800824 YBYWZUVNRBPVRD-NEPJUHHUSA-N 225.332 2.203 0 40 BEAB COc1ccc(C=O)c(F)c1Br 89157180 JZZFGKYKWIWFGN-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB O=C(C1=CCCCO1)N1CCc2ccccc21 89861243 RRLSPDUGXJZCMF-UHFFFAOYSA-N 229.279 2.270 0 40 BEAB N[C@@H](c1ccncc1)c1cc(F)ccc1F 90225635 ULCQZXRSMQHROF-LBPRGKRZSA-N 220.222 2.408 0 40 BEAB CC(=O)Nc1ccc(C)c2c1CCCN2 95347520 RYRDUZSMONMBBE-UHFFFAOYSA-N 204.273 2.312 0 40 BEAB in-vitro Cc1ccc([C@H](C)NCc2nnnn2C(C)C)o1 96502744 DYGSMQNASQYATI-JTQLQIEISA-N 249.318 2.006 0 40 BEAB CCCc1nnc(NCc2csc(C)n2)o1 97231685 OSEZBPSKULYVCN-UHFFFAOYSA-N 238.316 2.399 0 40 BEAB Nc1nccn1-c1ccc(Br)cc1 98213877 DSBRUGGTVTUPFU-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB COc1ccccc1CN[C@H]1CC[C@H](N)CC1 100809899 SWNOUKRYLVKYDK-BETUJISGSA-N 234.343 2.055 0 40 BEAB CC[C@@H]1C(=O)N(c2cccc(C(=O)O)c2)N=C1C 103515943 YFTUMRAQSVSEGP-NSHDSACASA-N 246.266 2.134 0 40 BEAB C[C@H]1[C@H](C)[C@@H]2[C@H]3[C@H]4[C@H]5[C@@]6(C[C@@H](O)C=C[C@@]526)[C@@H]1[C@@H]43 104286502 VVDJHGYLWXVZIO-DWWXYTTMSA-N 228.335 2.317 0 40 BEAB CN(CCc1ccccn1)C[C@@H]1CCC=CO1 194628718 VJSMOQFDLNJEKV-AWEZNQCLSA-N 232.327 2.249 0 40 BEAB C[C@H](NN)c1ccc(C(F)(F)F)c(F)c1 199536473 ZPSZLWBRNDDDFW-YFKPBYRVSA-N 222.185 2.369 0 40 BEAB N[C@@H](C(=O)O)c1c(F)ccc(Cl)c1Cl 199809162 BYZDJCVTQYXVHJ-SSDOTTSWSA-N 238.045 2.217 0 40 BEAB COc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2N)cc1 218886802 GFXBIRRVJPEUAA-DDTOSNHZSA-N 234.343 2.226 0 40 BEAB C[C@]1(C(=O)O)Cc2ccc(Cl)cc2O1 260311327 ZIQJOEYXMOHUEH-SNVBAGLBSA-N 212.632 2.118 0 40 BEAB Cc1cc[nH]c1C(=O)N1CCC=C(F)C1 281276313 LOTAEEDAZGNOEM-UHFFFAOYSA-N 208.236 2.022 0 40 BEAB CC(C)[C@H]1N(Cc2cncnc2)CC1(C)C 294078931 YXBWVTSVXBCLHS-GFCCVEGCSA-N 219.332 2.343 0 40 BEAB CC[C@H](C)Oc1ccc(/C=C\C(N)=O)cc1OC 361634174 BERAFTVDDKKLHM-ZEBCKKTISA-N 249.310 2.371 0 40 BEAB c1cnc(Oc2ccc3nc[nH]c3c2)nc1 575424360 ZPORZXJMGXNBEG-UHFFFAOYSA-N 212.212 2.145 0 40 BEAB COC(=O)c1[nH]c2cc(F)ccc2c1F 1857793640 OMFCIGUGAXNELU-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB Nc1ccccc1NC(=O)c1ccco1 873912 QRUHQJYJVRLJEN-UHFFFAOYSA-N 202.213 2.114 0 40 BEAB O=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)F 1509115 RNQNAVNYZPAYBC-UHFFFAOYSA-N 247.260 2.490 0 40 BEAB O=C1CCCc2cc3c(nc21)C(=O)CCC3 1611226 ORHFDTKYDADECA-UHFFFAOYSA-N 215.252 2.120 0 40 BEAB CCO/C=C1/N=C(Cc2ccccc2)OC1=O 1612483 KDXYERQLMHLLJT-PKNBQFBNSA-N 231.251 2.062 0 40 BEAB C[C@H]1CC[C@H](n2cnc3c(Cl)ncnc32)O1 1694519 QPUVEEMQGWMVIY-NKWVEPMBSA-N 238.678 2.177 0 40 BEAB CC(=O)[C@]1(C)OC(c2ccccc2)=NC1=S 1718067 UHVUNNZGAVUMKD-LBPRGKRZSA-N 233.292 2.139 0 40 BEAB C[C@H](O)C1(O)c2ccccc2-c2ccccc21 1720932 XXVILNBKWHOHHC-JTQLQIEISA-N 226.275 2.284 0 40 BEAB Nc1c2c(nc3ccccc13)CCCC2=O 2476618 JUSJJSHTMCPMOX-UHFFFAOYSA-N 212.252 2.336 0 40 BEAB in-vitro CCc1nnsc1C(=O)Nc1ccccc1 8060259 WIXLJGQAYZZTFN-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB C[C@@H](C(=O)O)N1CCC(Cc2ccccc2)CC1 11962364 RURDNKWWNOLVMF-LBPRGKRZSA-N 247.338 2.414 0 40 BEAB O=C(COc1cccc(F)c1)NC1CCCC1 12905688 ZXQYTNIUCKSPQD-UHFFFAOYSA-N 237.274 2.263 0 40 BEAB O=C(CCc1ccccc1F)N1CCCC1 12975027 HQLXLOZQGXQECR-UHFFFAOYSA-N 221.275 2.381 0 40 BEAB Cc1ccc(/C=C2\SC(=N)NC2=O)cc1 16905051 VMIJJMVEQOFALP-TWGQIWQCSA-N 218.281 2.134 0 40 BEAB Nc1nnc(Cc2ccc3ccccc3c2)o1 19390697 NXDLPMQTRAVDLA-UHFFFAOYSA-N 225.251 2.396 0 40 BEAB in-vitro O=C(c1ccc2c(c1)OCCO2)C1CCC1 19725790 WIAVULASXZPKIN-UHFFFAOYSA-N 218.252 2.441 0 40 BEAB CC[C@@H](C)Oc1ccc(CN)cc1OC 20217255 TWIHOADTIAPKTM-SECBINFHSA-N 209.289 2.331 0 40 BEAB CCONC(=O)c1cccc2c(C)c(C)[nH]c12 24663660 VWHFFNYLMYOARH-UHFFFAOYSA-N 232.283 2.466 0 40 BEAB O=C(Nc1ccnn1Cc1cccs1)C1CC1 32987943 BBNNUOCDQIRPPE-UHFFFAOYSA-N 247.323 2.341 0 40 BEAB C[C@@](O)(C(=O)OCc1ccccc1)C(F)(F)F 36421758 ZIXXABZSYXRCJO-SNVBAGLBSA-N 248.200 2.043 0 40 BEAB Cc1cc(C)c(NC(=O)c2cn[nH]c2N)c(C)c1 36939439 GERFPLDLJLFSOI-UHFFFAOYSA-N 244.298 2.169 0 40 BEAB Clc1nc2c(Cl)ncnc2s1 39698237 HIETVCLWXWMCSD-UHFFFAOYSA-N 206.057 2.393 0 40 BEAB CCc1cc(OC2CNC2)ccc1Cl 42769719 JXQRYTJYGHJKSH-UHFFFAOYSA-N 211.692 2.253 0 40 BEAB CCc1nc2ccc(C(=O)OC)cc2o1 42784447 ZXTHAWXDCNDYFT-UHFFFAOYSA-N 205.213 2.177 0 40 BEAB CC[C@@H]1CCCN(Cc2nc(C)no2)C1 48057943 SMMVVYORKSKCJJ-SNVBAGLBSA-N 209.293 2.000 0 40 BEAB O=C(Nc1n[nH]c2ccccc12)c1cccnc1 55351321 USYDIQQURHEDOA-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB Cc1cc(Br)cc2[nH]c(=O)oc12 62152898 VARQARLDHMGBSN-UHFFFAOYSA-N 228.045 2.192 0 40 BEAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C=O 72218713 POAFCQZQHFLNSM-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB Cc1cncnc1C1CCN(CC2CC2)CC1 72350810 MVTWTTBHRBESRS-UHFFFAOYSA-N 231.343 2.374 0 40 BEAB Cc1nc(N)cc([C@@H]2CCN2C2CCCCC2)n1 72387469 FCRFAHAOBQUKQG-ZDUSSCGKSA-N 246.358 2.447 0 40 BEAB NCCOC1CCC(NCc2ccccc2)CC1 79390689 QIJBSNSSFNULOW-UHFFFAOYSA-N 248.370 2.063 0 40 BEAB Cc1cc(Cl)nc([C@@H]2CCCOC2)n1 82580549 MGYKBBLANQYASV-MRVPVSSYSA-N 212.680 2.332 0 40 BEAB O=C(O)CCCc1cc(F)c(F)c(O)c1F 91692221 UCXQYZXFLUGSBW-UHFFFAOYSA-N 234.173 2.217 0 40 BEAB O=Cc1ccccc1COC[C@H]1CCCO1 95738661 PTFQTNRQYRMCPP-CYBMUJFWSA-N 220.268 2.195 0 40 BEAB C[C@H](S[C@H](C)CO)c1nc(C2CC2)no1 96430371 ZWRLOUUJVWGEAB-RQJHMYQMSA-N 228.317 2.122 0 40 BEAB CCCCOCC(=O)Nc1c(O)cccc1F 96436580 DEGCHIWWLURWIU-UHFFFAOYSA-N 241.262 2.287 0 40 BEAB CN(C)C(=O)c1cc(N)cc2ccccc12 96524030 RWJJVKABRRDBPK-UHFFFAOYSA-N 214.268 2.124 0 40 BEAB CO[C@H]1CCCCC[C@@H]1NC(=O)C(C)(C)C 98018995 MOGVSUMPPDKTOI-QWRGUYRKSA-N 227.348 2.496 0 40 BEAB COc1ccc(Br)c2cncnc12 98181689 CCIJNDWDLAJOLK-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB CCCN(c1ccccc1)[C@@H](C)C(=O)O 166288375 ORMVNTQVUJYMFW-JTQLQIEISA-N 207.273 2.376 0 40 BEAB C/C(=C\c1ccccc1)CN[C@@H](C)C(=O)N(C)C 192713607 SOIFOWIDMOCGBC-XSNHNAGMSA-N 246.354 2.156 0 40 BEAB CC(=O)c1ccc([C@@H]2CCNC(=O)C2)cc1C 199776817 PLIJKZIEHZOIMT-GFCCVEGCSA-N 231.295 2.191 0 40 BEAB CO[C@@H](Cc1cccc2ccccc12)C(=O)O 201661735 KMOQVSHARSIVDW-ZDUSSCGKSA-N 230.263 2.482 0 40 BEAB C[C@]1(c2cncc(Br)c2)CO1 217527578 JGBVRRRATNRAOR-MRVPVSSYSA-N 214.062 2.090 0 40 BEAB CCOc1ccccc1N1CCN[C@H]2CCC[C@H]21 218845824 ILMRDPMGWTWVDY-QWHCGFSZSA-N 246.354 2.416 0 40 BEAB CCCCC(=O)N1CC[C@H](SC)C1 225614312 ZHYFERAKWCPOCA-VIFPVBQESA-N 201.335 2.141 0 40 BEAB Cc1ccc2c(c1)OC1(CCN(C)CC1)CC2=O 225816275 ZIXWFHDUNAKURC-UHFFFAOYSA-N 245.322 2.425 0 40 BEAB Cc1cnn(C)c1NCc1ccnn1CC(C)C 256054808 XWINXRJABSUAHU-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB CC(=O)[C@H]1CCN(c2cnc3ccccc3n2)C1 390826468 MASKKZQOOMCUDM-NSHDSACASA-N 241.294 2.045 0 40 BEAB COC(=O)c1cc(OC)cc(OC)c1C(F)F 575629385 UOIGSNRGLRHTCD-UHFFFAOYSA-N 246.209 2.428 0 40 BEAB F[C@H]1CCC[C@@H]1Nc1ncc(Cl)cn1 585386132 SVYKAMAZQYWQEG-YUMQZZPRSA-N 215.659 2.433 0 40 BEAB COC(=O)[C@H](N)c1ccc(C)c(C(F)(F)F)c1 1536085345 NYNIWUMUPNAFTK-SECBINFHSA-N 247.216 2.187 0 40 BEAB CCC[C@]1(C)NC(=O)c2ccccc2O1 50622 WKIAUWGQCZGVMH-GFCCVEGCSA-N 205.257 2.325 0 40 BEAB O=c1[nH]cnc2sc3ccccc3c12 1514576 UELJJSQADCDBMU-UHFFFAOYSA-N 202.238 2.138 0 40 BEAB in-vitro CCCCCC[C@@H]1OC[C@H](COC(C)=O)O1 1672408 QNPVAETYSCEUQX-NWDGAFQWSA-N 230.304 2.261 0 40 BEAB ClC1(Cl)[C@H]2CCCC3(OCCO3)[C@H]21 1766094 ANGZSUYAEODLHM-BQBZGAKWSA-N 223.099 2.333 0 40 BEAB O=C(O)CCC(=O)c1cc(F)c(F)c(F)c1 2378687 KPDWQVIJKURPCD-UHFFFAOYSA-N 232.157 2.151 0 40 BEAB O=C(Cc1cccc(F)c1)C(F)(F)F 2517998 KODHAZYEAJMZCZ-UHFFFAOYSA-N 206.138 2.500 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)O 3846440 MZKZHXRZHFXJPH-VYUIOLGVSA-N 224.300 2.493 0 40 BEAB biogenic CCOC(=O)c1cc(=O)c2cccc(C)c2[nH]1 5479674 JOSLIOLRRAVHGW-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB Cc1cc(C)c(/C=C2/NC(=O)N(C)C2=O)c(C)c1 8333237 DKUNYBYCOXRHSP-KPKJPENVSA-N 244.294 2.134 0 40 BEAB CC(C)CCSc1ncc(C=O)cn1 8730891 SRZIXWFUKSBHLK-UHFFFAOYSA-N 210.302 2.427 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(OC)nc1 12537897 URKZJDXDWQXZPM-MRVPVSSYSA-N 208.261 2.075 0 40 BEAB Cc1ccc(CNC(=O)c2cccnc2)cc1F 12868750 SEDWJGKAOHWSBA-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB O=c1c2ccccc2c(O)nn1-c1ccccc1 18039854 DHORJGJIZSYQQV-UHFFFAOYSA-N 238.246 2.091 0 40 BEAB CCCn1c([C@H](C)N)nc2ccccc21 19734259 NFKKKXLICUUHHD-VIFPVBQESA-N 203.289 2.466 0 40 BEAB COc1cccc(-c2nc(CN)cs2)c1 20438871 SERJPGQOSJQHHC-UHFFFAOYSA-N 220.297 2.277 0 40 BEAB in-vitro Cc1cccc(NC(=O)CCn2cccc2)n1 21016397 NVHFQDBYDCKYAF-UHFFFAOYSA-N 229.283 2.220 0 40 BEAB Nc1cc(NC(=O)c2cccnc2)ccc1F 21964015 SQYVBUMIGGFVOX-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCc1c(COC)nn(Cc2ccccc2)c1N 26512177 JODGBVKVVDLKOE-UHFFFAOYSA-N 245.326 2.222 0 40 BEAB c1cn(Cc2ccc(-c3cncnc3)cc2)cn1 29131227 WCJRWPHNXJZMKF-UHFFFAOYSA-N 236.278 2.388 0 40 BEAB CCO[C@@H]1OCN(C(C)C)CC1(C)C 31720522 FXIWHWUVKUEVRJ-SNVBAGLBSA-N 201.310 2.073 0 40 BEAB O=C(Nc1ccn(-c2ccccc2)n1)C1CC1 36392517 WOYFXZQJMRHWJJ-UHFFFAOYSA-N 227.267 2.221 0 40 BEAB CCN(C1CCCCC1)[C@@H]1CCCNC1 37246784 GSXXHJOFNCOJII-CYBMUJFWSA-N 210.365 2.393 0 40 BEAB O=C(NCC(F)(F)F)c1ccccc1F 37485835 VMJAZQDJFQYYBT-UHFFFAOYSA-N 221.153 2.118 0 40 BEAB O=C(CSc1ccccc1F)NC1CC1 43463593 QMQAJLRNQVJSGP-UHFFFAOYSA-N 225.288 2.196 0 40 BEAB COCCOc1ccc(N)cc1Br 43597616 LTGHWSDWKNFALE-UHFFFAOYSA-N 246.104 2.057 0 40 BEAB CCOC(=O)c1ccnc(C(F)(F)F)c1 47202980 DDCHYZRDWLPNRF-UHFFFAOYSA-N 219.162 2.277 0 40 BEAB CCOCCNCc1ccc(F)cc1C 50569343 FTOFEBZGTKSPEP-UHFFFAOYSA-N 211.280 2.260 0 40 BEAB CCS(=O)(=O)N(Cc1ccccc1)C(C)C 57466035 DKRGPRRJLCZCKB-UHFFFAOYSA-N 241.356 2.247 0 40 BEAB OCC(CO)Cc1ccc(Cl)c(Cl)c1 57524824 NSKUKSNGSSOKIK-UHFFFAOYSA-N 235.110 2.137 0 40 BEAB CO[C@@H](CN)c1ccccc1C(F)(F)F 62711435 OQLNATQLVWUMTQ-VIFPVBQESA-N 219.206 2.352 0 40 BEAB COC(=O)c1ccnc(OCc2ccccc2)c1 64005274 WMOAZKXUKZFGFZ-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB Cc1cc(COC(=O)[C@@H]2C[C@@H]2c2ccco2)on1 64583782 WMTUWMBEHGCGAV-WDEREUQCSA-N 247.250 2.423 0 40 BEAB CCN(CC)c1ccc(C(=O)N[C@@H]2C[C@H]2C)cn1 72094592 WBZZJFMIJREPNF-ZYHUDNBSSA-N 247.342 2.066 0 40 BEAB CSc1ccc([C@H]2CCCN2C=O)cn1 72216869 CJWBSZRSVBRRNM-SNVBAGLBSA-N 222.313 2.097 0 40 BEAB NC(=O)Nc1ccc(Br)c(F)c1 72296498 QTGFWBSBTWFYQR-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB Cc1ccc(NC(=O)C2(CC(=O)O)CC2)cc1 77365578 SPJJWKVEHKTPBL-UHFFFAOYSA-N 233.267 2.188 0 40 BEAB CC(C)N(CCN)Cc1nccc2ccccc12 79422054 YNCLBEYPBREQTH-UHFFFAOYSA-N 243.354 2.404 0 40 BEAB CCOc1ccc(/C=C/C(=O)O)cc1C 82593658 VYVAIGBPUJFOQQ-FNORWQNLSA-N 206.241 2.492 0 40 BEAB in-vitro CCC[C@H](C(=O)NC[C@@H](C)CO)c1ccccc1 84740463 AKHXAOLGUIZODA-OCCSQVGLSA-N 249.354 2.315 0 40 BEAB CN1CC[C@@H](Sc2cccs2)C1=O 89375060 VOZQZUGIQMQAQR-SSDOTTSWSA-N 213.327 2.071 0 40 BEAB COC(=O)c1cc(N)c(C)c(OCC2CC2)c1 95095518 CZDANNNJADKCPI-UHFFFAOYSA-N 235.283 2.153 0 40 BEAB CCCc1nnc(N(C)C2CCC2)s1 95418470 CBCNMPFHBFATPQ-UHFFFAOYSA-N 211.334 2.479 0 40 BEAB CCOC(=O)N1c2ccccc2[C@@H]2CNCC[C@H]21 96157350 ZNIPMYCKODECLL-WCQYABFASA-N 246.310 2.109 0 40 BEAB C[C@]1(CO)CCC[C@@H]1Nc1ccccn1 98013795 DOBSILVWMKGTTF-CMPLNLGQSA-N 206.289 2.045 0 40 BEAB Brc1cccc([C@@]23CNC[C@H]2C3)c1 103642755 SGZGYHORYYBOLQ-MWLCHTKSSA-N 238.128 2.310 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 128169006 AULAXUOXHOEPKW-WDEREUQCSA-N 208.232 2.492 0 40 BEAB c1cnc2cc(C3CCOCC3)[nH]c2c1 141521101 ZKUXZGITKUDQLP-UHFFFAOYSA-N 202.257 2.457 0 40 BEAB NC(=O)CCc1c(Cl)cccc1Cl 148695703 CGBGNTNSPJJSJQ-UHFFFAOYSA-N 218.083 2.411 0 40 BEAB O=c1cn[nH]c2c(Cl)c(Cl)ccc12 149706657 PJGASYOVELOPJH-UHFFFAOYSA-N 215.039 2.230 0 40 BEAB CCOCC(=O)Nc1cccc(C)c1C(C)=O 157821177 AEMUFOQVPJNTEY-UHFFFAOYSA-N 235.283 2.173 0 40 BEAB Nc1nc(-c2cccs2)ccc1C(=O)O 225009763 PZDGEZFWTHHBBH-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB CC[C@H](C)[C@@H](C)NC[C@H]1CCCN1CC 238857070 XZUSPJIKFBSHMU-YNEHKIRRSA-N 212.381 2.495 0 40 BEAB c1ccc2c(c1)CN1CCO[C@@H]1c1cccn1-2 260746695 PYYNTGBLLXXTRP-CQSZACIVSA-N 226.279 2.322 0 40 BEAB C[C@@H](N)CCc1ccc(-c2ccnn2C)cc1 521398630 VMCDQPAGVBWZPY-LLVKDONJSA-N 229.327 2.367 0 40 BEAB Fc1cccc2c1N(Cc1cn[nH]c1)CC2 685470582 PMDLXTFNCOVPMR-UHFFFAOYSA-N 217.247 2.112 0 40 BEAB OCc1ccccc1CNCc1ccccc1 54755 LRHGUVTYQKKKBU-UHFFFAOYSA-N 227.307 2.469 0 40 BEAB in-vitro O[C@H](c1ccncc1)C(Cl)(Cl)Cl 494996 ILMARCBLNBUSEP-ZCFIWIBFSA-N 226.490 2.485 0 40 BEAB CC(=O)N1C[C@]23C=C[C@H](C[C@H]2CC12CCCC2)O3 1321577 QLOISECRUXBCQN-GZBFAFLISA-N 247.338 2.265 0 40 BEAB biogenic CC[C@@]1(c2ccccc2)SC(=O)NC1=O 1705162 QOJYOMSCSGVRHT-NSHDSACASA-N 221.281 2.275 0 40 BEAB C[C@H]1C[C@@](O)(c2ccccc2)[C@H](C)CN1C 3901851 CTKBMLDLEZVLNP-DYEKYZERSA-N 219.328 2.234 0 40 BEAB Cn1cccc1CNCc1ccc2c(c1)OCO2 4488545 SWHFYFXRJJVBSX-UHFFFAOYSA-N 244.294 2.044 0 40 BEAB Cc1ccccc1NC(=O)c1snnc1C 4584515 NTMXOGPLFDVHPG-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@H]1CCCC[C@@H]1O 4720846 OYCGDTUIPZFBRJ-AVGNSLFASA-N 234.295 2.406 0 40 BEAB Cc1nn([C@H](C)C(=O)O)c(C(F)F)c1Cl 6254031 OMZWOWHJMSBSSD-SCSAIBSYSA-N 238.621 2.428 0 40 BEAB OCc1nc2c(Cl)cc(Cl)cc2[nH]1 6447878 JWBQHCHZXZHMPC-UHFFFAOYSA-N 217.055 2.362 0 40 BEAB NC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 7770379 WAAWNDGGFOERAC-NSHDSACASA-N 244.294 2.080 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1C 9994860 PXKUHZIIJKUWDC-SNVBAGLBSA-N 248.326 2.157 0 40 BEAB CC[C@@H](Cc1ccc(OC)cc1)C(=O)O 11976783 QUTIPRONARPHBI-JTQLQIEISA-N 208.257 2.349 0 40 BEAB O=C1C[C@@H]2CC[C@H](C1)N2c1ccccc1 16999632 PCEVDKVFKSUXFX-TXEJJXNPSA-N 201.269 2.387 0 40 BEAB in-vitro C1CC[C@H](OCCO[C@@H]2CCCCO2)OC1 17378920 YUAPGYIENVWPIK-TXEJJXNPSA-N 230.304 2.073 0 40 BEAB Brc1ccccc1CC1CNC1 19441313 VHFZIHZIYYFWGZ-UHFFFAOYSA-N 226.117 2.211 0 40 BEAB NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20136317 RLKKDOYDGJQVLP-VQHVLOKHSA-N 213.236 2.445 0 40 BEAB O=C(O)c1ccc(-c2nnc3ccccn23)cc1 20267997 IRPTYFOUXKDUMB-UHFFFAOYSA-N 239.234 2.095 0 40 BEAB CCCn1nccc1NC(=O)c1ccoc1 31769965 XWCGNRAQUXWBLS-UHFFFAOYSA-N 219.244 2.138 0 40 BEAB COC(=O)COc1ccc2ccccc2c1C=O 32500966 NTWWJEFLSLTBJV-UHFFFAOYSA-N 244.246 2.204 0 40 BEAB O=C(NCCc1cccc(Cl)c1)NC1CC1 32843668 JDGULBIJDGQKCU-UHFFFAOYSA-N 238.718 2.344 0 40 BEAB N[C@H]1C[C@@H]1c1ccc(Br)s1 37381253 YOZWARUYCJJUCK-WHFBIAKZSA-N 218.119 2.325 0 40 BEAB CC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 41172933 JTZGRTJSUZPGLD-GFCCVEGCSA-N 239.702 2.260 0 40 BEAB Cc1ccccc1[C@H]([C@@H](C)N)n1cccn1 43037656 KYEWWOWOXMVEHG-YPMHNXCESA-N 215.300 2.128 0 40 BEAB Cc1ncsc1C(=O)N[C@@H](C)c1ccncc1 44939233 RYYBIJXHSFMXNA-QMMMGPOBSA-N 247.323 2.338 0 40 BEAB Nc1ncccc1C(=O)Nc1ccc(F)cc1 50212556 NNJWMOVZCZNVNS-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCN(CCCO)Cc1ccc(F)c(F)c1 52131555 XJFRAKXRTJAWBF-UHFFFAOYSA-N 229.270 2.169 0 40 BEAB OCCc1ccc(Br)c(F)c1 59024645 VPBFEQYMFNWDLC-UHFFFAOYSA-N 219.053 2.123 0 40 BEAB Cc1cccc(Nc2nc(CC(=O)O)cs2)n1 61957859 LMCGYFZNTMIEQB-UHFFFAOYSA-N 249.295 2.217 0 40 BEAB CC(C)(C)SCCNC(=O)c1cccnc1 66739119 IGKBOTPDBXMGCK-UHFFFAOYSA-N 238.356 2.343 0 40 BEAB C[C@H](c1ccncc1)N1CCOC(C)(C)C1 69972199 XCVDRSAPFBKKSD-LLVKDONJSA-N 220.316 2.253 0 40 BEAB Clc1ccc2c(c1)N[C@@H]1CCNC[C@@H]21 71484570 WYZHKRBFEWYMLL-VHSXEESVSA-N 208.692 2.211 0 40 BEAB CC(C)(C)CNC(=O)c1ccc2c(c1)OCO2 71823392 XQOUFYHFKYDHHI-UHFFFAOYSA-N 235.283 2.191 0 40 BEAB c1cn(Cc2nc(-c3ccsc3)no2)cn1 71890243 UCNVNJVZNQSOSL-UHFFFAOYSA-N 232.268 2.043 0 40 BEAB CCO[C@@H]1C[C@@H](NC(=O)C2CCC2)C1(C)C 71915420 FMXVPPBHMPIQLY-GHMZBOCLSA-N 225.332 2.106 0 40 BEAB CCN1CCCC[C@@H]1c1cccnc1O 72212322 VGGLQOOUGCRAMY-LLVKDONJSA-N 206.289 2.334 0 40 BEAB CC(C)CNc1ccc([C@@H]2CCCN2C=O)cn1 72213301 NFVMETQPFHSRNE-ZDUSSCGKSA-N 247.342 2.443 0 40 BEAB COc1cccc(OC)c1[C@@H]1CCCN1C(C)=O 72221414 KDAPPPWXQQUBTD-NSHDSACASA-N 249.310 2.387 0 40 BEAB Cc1nnc(N2CCc3ccccc3CC2)s1 77225143 XWWHJPYJYAKDQW-UHFFFAOYSA-N 245.351 2.452 0 40 BEAB COc1cc(OC)c(CCCO)cc1Cl 85393408 WNLQOOFLMVCFFY-UHFFFAOYSA-N 230.691 2.282 0 40 BEAB CNC(=O)c1ncoc1-c1ccccc1Cl 89391695 GBQXSEDDAYAFEP-UHFFFAOYSA-N 236.658 2.355 0 40 BEAB C[C@@H](O)CN[C@H](C)Cc1ccc(Cl)cc1 91261343 WTMYRZFEAKUNDJ-NXEZZACHSA-N 227.735 2.241 0 40 BEAB C[C@@H](c1ccccn1)N1CCN2CCCC[C@@H]2C1 94267497 NMLKDZGLZPPQMY-UONOGXRCSA-N 245.370 2.313 0 40 BEAB O=C(O)/C=C\C(=O)c1ccc(F)c(Cl)c1 95727010 SNMLTQYNKDEHHW-ARJAWSKDSA-N 228.606 2.303 0 40 BEAB CC1CCN(CC2(N)CCCCC2)CC1 96463828 SGWXTVZGKKBMPN-UHFFFAOYSA-N 210.365 2.380 0 40 BEAB CC[C@@H](O)CN[C@H](CC)c1c(C)noc1C 97111148 XNXMDSWRPCKSAC-GHMZBOCLSA-N 226.320 2.103 0 40 BEAB CN1CC[C@H](SCc2ccccc2)C1=O 98010239 DJQAMUIWDNETMN-NSHDSACASA-N 221.325 2.151 0 40 BEAB C[C@@H](NC(=O)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100212960 XUKIOVWVGJVCDC-IQIPOGNMSA-N 207.317 2.337 0 40 BEAB C[C@H]1[C@@H](C)[C@@]2(C)NC(=O)[C@@]3(C)[C@@]1(C)[C@]32C 104276658 VLAQZFRGUKAXMA-DQYLABDYSA-N 207.317 2.193 0 40 BEAB CCN(C)C(=O)[C@H](C)NC[C@H](C)c1ccccc1 188492582 FBTPPHFJGRWIMV-STQMWFEESA-N 248.370 2.247 0 40 BEAB C[C@@H](CCN(C)C[C@@H](C)O)c1ccccc1 194630497 AKXCCFVLJCTBRE-QWHCGFSZSA-N 221.344 2.493 0 40 BEAB CCC(=O)NCCCN1c2ccccc2C[C@@H]1C 223271620 RDPCCSHGJJUCRM-LBPRGKRZSA-N 246.354 2.354 0 40 BEAB CCn1nc(C)cc1CNC(=O)c1cccs1 226745555 XVFNYYXDGSOPCA-UHFFFAOYSA-N 249.339 2.203 0 40 BEAB Fc1cccnc1OCc1cccnc1 585654196 OYLKNTALLQHPPQ-UHFFFAOYSA-N 204.204 2.195 0 40 BEAB CCc1ccc([C@H]2N[C@H](C(=O)O)CS2)s1 205123 BFIUXTYFWMAWJJ-CBAPKCEASA-N 243.353 2.099 0 40 BEAB NC(=O)[C@@H](CCN1CCCCC1)c1ccccc1 1700029 HASMTRUBBJZEGO-AWEZNQCLSA-N 246.354 2.132 0 40 BEAB CCCOc1ccc(CNC(=N)N)cc1Cl 2257487 KSFFKYHRZSEUIS-UHFFFAOYSA-N 241.722 2.112 0 40 BEAB Clc1ccc([C@H]2NCCc3nc[nH]c32)cc1 2456031 VIYSCMWHBOQBRJ-LLVKDONJSA-N 233.702 2.298 0 40 BEAB biogenic CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 3311601 WCCPIOHQLXWABJ-UHFFFAOYSA-N 240.353 2.464 0 40 BEAB Cc1ccc(C)c(NC(=O)c2ccc(=O)[nH]c2)c1 3334945 KXZXHCZLZUSWMH-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB COc1ccc2ccccc2c1CNC[C@H](C)O 4695078 HSAXPYYRFTWYPS-NSHDSACASA-N 245.322 2.319 0 40 BEAB CCc1ccc(C(=O)CCC(=O)O)s1 4998672 CQZPZVGEZHGESA-UHFFFAOYSA-N 212.270 2.358 0 40 BEAB in-vitro CCCC[C@H](CC)CO[C@H]1CCS(=O)(=O)C1 5193509 QVNCMGGYBIYJIG-RYUDHWBXSA-N 248.388 2.407 0 40 BEAB CC(=O)c1ccc(Cl)cc1OCC(=O)O 5817141 PZWRMRSMUNXYCJ-UHFFFAOYSA-N 228.631 2.006 0 40 BEAB COc1ccccc1OC[C@H]1CCCNC1 6677693 CUBQELKGTSQSIR-NSHDSACASA-N 221.300 2.074 0 40 BEAB in-vitro C[C@H]1C[C@@H](C)CN(C[C@@H](O)COC(C)(C)C)C1 12289076 ZBIFCFISTMMDTM-FRRDWIJNSA-N 243.391 2.140 0 40 BEAB COc1ccc(-c2ncc(CC(=O)O)s2)cc1 12396960 VNQJSQJJUBFDEU-UHFFFAOYSA-N 249.291 2.446 0 40 BEAB O=C(Nc1ccc2c(c1)OCO2)c1ccoc1 12852530 BVGMJASMOURUEC-UHFFFAOYSA-N 231.207 2.261 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2occc21 12925542 RCFKXNULFSPASJ-FBIMIBRVSA-N 219.284 2.429 0 40 BEAB CCCCNCC(=O)Nc1ccccc1C 20044379 YUAZJLDAZSRLEG-UHFFFAOYSA-N 220.316 2.323 0 40 BEAB O=C(NCC1(c2ccccc2)CC1)[C@H]1CCCO1 21047679 FGMRKVWUPHMIKE-CYBMUJFWSA-N 245.322 2.013 0 40 BEAB CCn1ncc(C(=O)NCc2ccccc2)c1C 28576596 PVMKKBMUXOSMDN-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB CCN(CC)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 29507361 BSURLOATGSTVSU-UHFFFAOYSA-N 248.326 2.324 0 40 BEAB CC[C@@](C(=O)OC)(c1ccccc1)N(C)C 33506436 FFMPNRLNKDYDJN-ZDUSSCGKSA-N 221.300 2.027 0 40 BEAB CCc1ccccc1NC(=O)NCCCN(C)C 33630048 RYUVAMGQCOTXMJ-UHFFFAOYSA-N 249.358 2.322 0 40 BEAB COC(=O)C[C@@H](C)NCc1ccccc1Cl 35748000 XHOUUANGUVMOFH-SECBINFHSA-N 241.718 2.381 0 40 BEAB COc1ccccc1[C@H](N)c1noc(C2CC2)n1 36764087 VRFCIKMILFCJFH-NSHDSACASA-N 245.282 2.004 0 40 BEAB Cc1cc([C@@H](C)NCC(=O)NC(C)C)c(C)o1 36781653 XNSJLYSHDIJLJO-SNVBAGLBSA-N 238.331 2.072 0 40 BEAB O[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 40460800 GTULZLWTOQSNHQ-NSHDSACASA-N 243.709 2.436 0 40 BEAB CS[C@H](C)C(=O)NCCc1ccsc1 40525098 JMIJZCAOKCIOHA-MRVPVSSYSA-N 229.370 2.158 0 40 BEAB Cc1ccccc1NC(=O)NCCn1ccnc1 40525331 GDXOQNIMZAEBQX-UHFFFAOYSA-N 244.298 2.013 0 40 BEAB Cc1ccc(NC(=O)N[C@H](C)CO)c(Cl)c1 40525661 HRIIATCDUWWTOT-MRVPVSSYSA-N 242.706 2.151 0 40 BEAB O=C(c1cccc(C2OCCO2)c1)C1CC1 43212600 FGOZIZUKMHNYOX-UHFFFAOYSA-N 218.252 2.325 0 40 BEAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(N)=O 44865897 ZINOFRNCTLSRTQ-SECBINFHSA-N 221.300 2.237 0 40 BEAB Cc1ccc(CN2CCOC[C@H]2C)cc1 46774120 UXOJAKGZFGFVPC-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 48310812 DGHFZUPKMHENII-UHFFFAOYSA-N 245.238 2.023 0 40 BEAB CNc1cc(C)nc(N2CCCCCC2)n1 50848604 SQAOPUMAXOTGGD-UHFFFAOYSA-N 220.320 2.207 0 40 BEAB Cc1ncn(Cc2cccc(N)c2)c1C 51925948 QHEZDUTXXFYXIL-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB in-vitro CCOC(=O)CC(=O)c1sccc1C 69636017 RPOKHNGHPOPWNJ-UHFFFAOYSA-N 212.270 2.192 0 40 BEAB CC(C)[C@H](c1ccccc1)N(C)S(C)(=O)=O 69703256 YJAAJKNMOMKPTN-GFCCVEGCSA-N 241.356 2.275 0 40 BEAB CCOC(=O)Cc1noc(-c2ccc(C)cc2)n1 71873592 STRXWDLXLATVKC-UHFFFAOYSA-N 246.266 2.151 0 40 BEAB Cc1ccc([C@@]2(O)CCN(C(C)C)C2)cc1 72350983 JUJZLDNIHSPBFX-CQSZACIVSA-N 219.328 2.297 0 40 BEAB CC(C)(C)[C@H](O)CCNC(=O)[C@H]1CC=CCC1 75170574 ONCJMTMBEOKBKK-NWDGAFQWSA-N 239.359 2.256 0 40 BEAB CC[C@@H](O)[C@H]1CCCCN1Cc1ccccn1 76325333 KYZZETHYMGFHOY-ZIAGYGMSSA-N 234.343 2.207 0 40 BEAB Cc1ccc(C(N)=S)cc1Br 83357113 WVSSFWPLIXHUBF-UHFFFAOYSA-N 230.130 2.392 0 40 BEAB COc1cc(C)c(Br)cc1CN 83825938 NOXVPQUXGHASPG-UHFFFAOYSA-N 230.105 2.225 0 40 BEAB CS/C=C/C(=O)OCc1ccccn1 83990446 VNZXONBEVLDJAY-FNORWQNLSA-N 209.270 2.002 0 40 BEAB COC(=O)Nc1ccoc1C(F)(F)F 85388672 JLXJQUZFIKZVJG-UHFFFAOYSA-N 209.123 2.477 0 40 BEAB C[C@@H]1CN(C(=O)C2CCC2)C[C@@H](C)S1 89937061 HNPMPRCBBDFCIN-RKDXNWHRSA-N 213.346 2.139 0 40 BEAB C[C@H](SCC1CCCC1)C(=O)N(C)C 95940642 MPSRVWUDLSSVGE-VIFPVBQESA-N 215.362 2.387 0 40 BEAB C1CCC(N2CC[C@]3(CCOC3)C2)CC1 96051072 PLCFTPNVCNILNX-ZDUSSCGKSA-N 209.333 2.432 0 40 BEAB CN(C)C[C@@H]1CCC[C@@H]2CN(CC3CC3)C[C@@H]21 96081875 FYYCJQSQEQRLOU-RRFJBIMHSA-N 236.403 2.306 0 40 BEAB Cc1nccc(NC(=O)NCC(F)F)c1Cl 97163459 QHGPQAHWLJWDBB-UHFFFAOYSA-N 249.648 2.430 0 40 BEAB CCc1nnc(NCc2csc(C)n2)s1 97231814 HLOKAQZYZTWHKY-UHFFFAOYSA-N 240.357 2.478 0 40 BEAB Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)nc1 97372745 NVTBGSGMYWQJSJ-GHMZBOCLSA-N 249.314 2.031 0 40 BEAB CC[C@@]12C[C@@H]3C[C@@](O)(C1)C[C@@](C(=O)O)(C3)C2 100158696 OWTGEISDJULWJQ-FTYKPCCVSA-N 224.300 2.183 0 40 BEAB Cc1ccccc1CN(C)[C@@H]1C[C@@H](C)OC1=O 107569417 UTEPJJPZARQIRX-DGCLKSJQSA-N 233.311 2.131 0 40 BEAB C[C@@H](O)CN[C@H](C)C(C)(C)c1ccc(F)cc1 170077906 AHIOWPRZCABDKA-GHMZBOCLSA-N 239.334 2.462 0 40 BEAB CCCCNCc1cn(C)nc1C(F)(F)F 256050287 DMSTZTSSMNEKBW-UHFFFAOYSA-N 235.253 2.329 0 40 BEAB Cn1ccc2ccc(-c3cc(N)[nH]n3)cc21 258049288 MCOPDSBPFIMQKA-UHFFFAOYSA-N 212.256 2.151 0 40 BEAB CC(C)[C@@H]1N(Cc2cncnc2)CC1(C)C 294078934 YXBWVTSVXBCLHS-LBPRGKRZSA-N 219.332 2.343 0 40 BEAB O=C(OCc1ccccc1)C1CC2(CCC2=O)C1 307649111 FWKJNOHCQIVKGH-UHFFFAOYSA-N 244.290 2.489 0 40 BEAB Cc1ncnc(C(=O)N(C)C2CCCCC2)c1C 1888834140 BZHMPJJEBPJHMO-UHFFFAOYSA-N 247.342 2.498 0 40 BEAB O=C(NCc1ccccn1)c1ccccc1 142416 JHBTVPLZRMXZKD-UHFFFAOYSA-N 212.252 2.012 0 40 BEAB CC(C)(C)c1cc2c(=O)[nH]cnc2s1 2541414 VXRZEVXONXRPQE-UHFFFAOYSA-N 208.286 2.282 0 40 BEAB CC(=O)N1CCN=C1SCc1cccc(C)c1 4120172 CSBFBUJVGKVXGL-UHFFFAOYSA-N 248.351 2.446 0 40 BEAB CC[C@H](C)NC(=O)COc1ccccc1C 5468527 DOMJGBAMPRIMHZ-NSHDSACASA-N 221.300 2.289 0 40 BEAB CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 9577113 XAXTVUANKNAAHP-UHFFFAOYSA-N 220.247 2.176 0 40 BEAB Nc1ccc2c(c1)NC(=O)[C@H](c1ccccc1)O2 19951699 HJPDVYPUQVMOGQ-ZDUSSCGKSA-N 240.262 2.341 0 40 BEAB CC(C)(C)C(=O)NCc1ccccc1F 21269855 AOSGHSFJOIGDEP-UHFFFAOYSA-N 209.264 2.488 0 40 BEAB C[C@H]1CCCCN1C(=O)c1ccc(CN)cc1 21951676 KYVNPYQJIIQSGK-NSHDSACASA-N 232.327 2.160 0 40 BEAB NCc1ccc(NC(=O)c2ccccc2O)cc1 21955665 HJXDCJDHQUQKKW-UHFFFAOYSA-N 242.278 2.103 0 40 BEAB CC[C@H](C)[C@@H]1N=C(O)N(C2CCCCC2)C1=O 28117257 GTKOHXKZTJRLKJ-ONGXEEELSA-N 238.331 2.490 0 40 BEAB COCCCNC(=O)c1cc(C)cc(C)c1 33023967 FKBSPIXHHJGNOM-UHFFFAOYSA-N 221.300 2.070 0 40 BEAB Nc1ccccc1-c1n[nH]c(-c2ccco2)n1 34181837 KGGBVMKYESRXGL-UHFFFAOYSA-N 226.239 2.314 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@@H](C)CC 35066899 ZOKXIFXOULCJPE-SAUXFKQKSA-N 225.332 2.032 0 40 BEAB biogenic,in-vitro O=C(O)[C@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 37380679 HRUXUHQNXUDJEP-NEPJUHHUSA-N 228.251 2.060 0 40 BEAB COc1cc(C)c(Br)cc1N 39109754 CQTXKFAOECJJFM-UHFFFAOYSA-N 216.078 2.348 0 40 BEAB in-vitro COCC(=O)N[C@@H](C)c1ccc(Cl)cc1 40459798 FMLWJGRHNGEWOI-QMMMGPOBSA-N 227.691 2.164 0 40 BEAB COc1cccc(CNCc2cncs2)c1 54788128 RFONUHJYDDHLSD-UHFFFAOYSA-N 234.324 2.442 0 40 BEAB CC(C)(Oc1cc(F)cc(F)c1)C(=O)O 54933575 MEOZVFLTMAEYFF-UHFFFAOYSA-N 216.183 2.207 0 40 BEAB CCC(C)(C)NCc1cnc(N2CCCC2)nc1 62717826 YCEIFVLDQPTFTE-UHFFFAOYSA-N 248.374 2.355 0 40 BEAB Cc1cc(F)cc2c3c(cnc12)C(=O)OCCO3 64874775 POTWLLVEKPRIAD-UHFFFAOYSA-N 247.225 2.232 0 40 BEAB COCCN(Cc1c(C)noc1C)CC(C)C 65575410 OPRADACXFGXNFE-UHFFFAOYSA-N 240.347 2.396 0 40 BEAB CCc1nc(C)ccc1OC(=O)N(C)C 66323394 UDIURTQGMAYNCV-UHFFFAOYSA-N 208.261 2.013 0 40 BEAB C[C@@H]1CNCCN1Cc1ccc(F)c(Cl)c1 67800293 YAAQPLCLWDUYON-SECBINFHSA-N 242.725 2.273 0 40 BEAB CC[C@@H](O)c1ccc(NC2CC2)nc1C 72224855 ITWCEAPQDNUDDV-LLVKDONJSA-N 206.289 2.408 0 40 BEAB C[C@H](NCC(C)(C)C)[C@H](C)n1cccn1 75606804 XNTPMMQBVJNHSQ-QWRGUYRKSA-N 209.337 2.468 0 40 BEAB c1cc(OC[C@@H]2CCOC2)cc(-n2ccnc2)c1 78990678 VCNARCVJXBFPKL-GFCCVEGCSA-N 244.294 2.288 0 40 BEAB CC(=O)Nc1cccc(-c2nccn2C)c1 82735665 DNXJCZRHMKTOLA-UHFFFAOYSA-N 215.256 2.046 0 40 BEAB CC(C)[C@H](O)CNC(=O)c1ccc(Cl)cc1 95418200 VEGZTCDFUSXLNZ-LLVKDONJSA-N 241.718 2.087 0 40 BEAB CCOc1c(F)cc(F)cc1[C@@H](C)O 95739430 QIQZBLOJWNKZPU-ZCFIWIBFSA-N 202.200 2.417 0 40 BEAB C[C@@H](SCC1CCCC1)C(=O)N(C)C 95940643 MPSRVWUDLSSVGE-SECBINFHSA-N 215.362 2.387 0 40 BEAB CCc1nn(C)cc1CN(C)C[C@@H](C)CC 95986582 IGWLSKDVFZDZBP-NSHDSACASA-N 223.364 2.460 0 40 BEAB CCOc1cccc2[nH]cc(CCN)c12 96300572 NLMRLIGDEXAIMG-UHFFFAOYSA-N 204.273 2.068 0 40 BEAB CSCCOC(=O)c1cccc2cn[nH]c12 96443020 BSXVEKOXQQPIHZ-UHFFFAOYSA-N 236.296 2.083 0 40 BEAB CC(C)c1nccn1[C@@H]1CCCN(C[C@@H]2CO2)C1 96510525 DZALLZYRMODTAK-CHWSQXEVSA-N 249.358 2.042 0 40 BEAB CCn1c(C(F)F)nc2c(Cl)ncnc21 96511304 CZRXJWUUKBREQH-UHFFFAOYSA-N 232.621 2.437 0 40 BEAB Cc1ccn(Cc2cccc3c2OCCO3)n1 97021483 JEIAPZPCBTVOKQ-UHFFFAOYSA-N 230.267 2.011 0 40 BEAB CCCCCN1CC(=O)N[C@@H]1c1cccc(O)c1 97052959 ZPJOFKALHIQIHH-AWEZNQCLSA-N 248.326 2.013 0 40 BEAB Cc1nnc(S[C@H]2C(=O)[C@H]3CC[C@H]2C3)s1 100970806 NHZCQMGMHKJAIC-ACLDMZEESA-N 240.353 2.306 0 40 BEAB CCCO[C@H](Cc1ccccc1)C(=O)O 148941234 JNVSNCYKZKYJFM-LLVKDONJSA-N 208.257 2.109 0 40 BEAB O=Cc1cc(C(F)(F)F)cc(C=O)c1O 197160750 CTRYVVDGUDKJRD-UHFFFAOYSA-N 218.130 2.036 0 40 BEAB Cc1cnc([C@H]2CCN(Cc3cscn3)C2)[nH]1 205688555 APIZUUQHYNEIHX-JTQLQIEISA-N 248.355 2.164 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21CCC(=O)O1 245239888 NAQMCLGSTRGHTN-WQHBLYJGSA-N 222.284 2.087 0 40 BEAB CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@@H]2CCC[C@@H]12 257207268 BHAUROYPVZRNLF-UMSGYPCISA-N 225.332 2.105 0 40 BEAB O=C(NC1CCC(F)(F)CC1)c1cccnc1 335714013 ZPGGZAIYEUBBQO-UHFFFAOYSA-N 240.253 2.389 0 40 BEAB Cc1nc([C@]2(C)CCCN(C)C2)cc2cncn12 585261105 LLGNLBKMUKLEPT-CQSZACIVSA-N 244.342 2.021 0 40 BEAB CCn1nccc1-c1cc(OC)ns1 649433569 ZQYZDIKLDUZTJC-UHFFFAOYSA-N 209.274 2.035 0 40 BEAB Cc1ncnc(N2C[C@H]3CC[C@H]2C3)c1C 1776001576 TZKBSRMRAADGTC-QWRGUYRKSA-N 203.289 2.082 0 40 BEAB CC(=O)c1cc(C(C)=O)n2ccccc12 1666640 BINQFWQYTCAARG-UHFFFAOYSA-N 201.225 2.345 0 40 BEAB CCc1cc(=O)[nH]c(Nc2ccc(F)cc2)n1 5183583 VSUNMUDKFAGITM-UHFFFAOYSA-N 233.246 2.215 0 40 BEAB CCCC[C@H](CC)COCCCNCC(=O)O 5784508 BBWWSPMTKCMZLY-LBPRGKRZSA-N 245.363 2.284 0 40 BEAB CCCNC(=S)Nc1cccc(C(=O)O)c1 6246216 YQUVWZCEMYDDBR-UHFFFAOYSA-N 238.312 2.081 0 40 BEAB CNc1ccccc1C(=O)Nc1cccnc1 6247611 IDQWZANCFHKCGF-UHFFFAOYSA-N 227.267 2.376 0 40 BEAB CC(C)(C)c1ccc(C(=O)NCCCO)cc1 12019935 WJRFDIXCWYYYDI-UHFFFAOYSA-N 235.327 2.096 0 40 BEAB Cc1ccc2nc(NCCN)c(C)cc2c1 13998658 LXOQYPNKYCSPDK-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB CC(C)NC(=O)c1cc(Cl)ccc1O 19837106 TZWCTMXUYQLVSW-UHFFFAOYSA-N 213.664 2.184 0 40 BEAB O=C(O)CCCc1cc(F)ccc1F 20217140 YOAQSNJATYPYII-UHFFFAOYSA-N 200.184 2.372 0 40 BEAB in-vitro Nc1ccc(OCCN2CCCC2)c(Cl)c1 20351969 ZLPPXBYGAJAUJR-UHFFFAOYSA-N 240.734 2.397 0 40 BEAB CS(=O)(=O)Oc1ccc2ccccc2c1 28051534 MTJASVATBFDNLJ-UHFFFAOYSA-N 222.265 2.178 0 40 BEAB COc1ccccc1C/C(C)=C/C(=O)O 37734979 DXFINYUXSFQEHS-CMDGGOBGSA-N 206.241 2.269 0 40 BEAB in-vitro CNC[C@@H](c1ccccc1)N1CCCCC1 39957457 OTALFDMWEXVUBN-AWEZNQCLSA-N 218.344 2.433 0 40 BEAB CN(Cc1ccc(Cl)cc1)C(=O)C(C)(C)N 42372736 RJHONEMIJQJCOP-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB NCCNc1cc(C(F)(F)F)cc(Cl)n1 43224361 ASNYYUICEFPJMV-UHFFFAOYSA-N 239.628 2.124 0 40 BEAB COC(=O)C[C@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 45071941 WHYSLOGCGQAEHL-VYUIOLGVSA-N 224.300 2.191 0 40 BEAB CC(C)CC(=O)N(C[C@@H]1CCOC1)C1CC1 46936762 LHNIWHAMUDYGPT-NSHDSACASA-N 225.332 2.060 0 40 BEAB CC(C)(C)C(=O)Nc1cccc2nccn12 52507864 XEOXYTKPMAYCAX-UHFFFAOYSA-N 217.272 2.319 0 40 BEAB Cc1cc(N2CCC(N(C)C)CC2)ccc1N 57579610 VNYGOIFYZLEYRC-UHFFFAOYSA-N 233.359 2.108 0 40 BEAB CC(C)CN1CCCN(c2nccs2)CC1 60099570 BRJULCNHZRPQDO-UHFFFAOYSA-N 239.388 2.311 0 40 BEAB CCCNC(=O)NCCSC1CCCC1 60938410 YNFXRPWJUJEIHX-UHFFFAOYSA-N 230.377 2.371 0 40 BEAB O=C(O)C(=O)c1ccc(F)c2ccccc12 69900625 MLTAECGPFCISGB-UHFFFAOYSA-N 218.183 2.246 0 40 BEAB CC(C)N1CCC[C@H](c2ccncn2)C1 72348450 GJQVBCIGTGUMFV-NSHDSACASA-N 205.305 2.064 0 40 BEAB CNc1cc(OC)ccc1Br 83869165 NWKFUVSHHBOWOT-UHFFFAOYSA-N 216.078 2.499 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1NC1CCCCC1 83988119 DCLIKAUTNCNGEL-QWRGUYRKSA-N 211.305 2.162 0 40 BEAB Cc1ccc([C@@H](O)C2(CN)CC(C)C2)cc1 85396031 XKTXEBKSAMKSPG-HRDQMINSSA-N 219.328 2.403 0 40 BEAB Cc1ccoc1CNC[C@H]1CCCn2ccnc21 89701981 OBQKZZXBTFCPNC-GFCCVEGCSA-N 245.326 2.452 0 40 BEAB CCN(CC)CCN[C@H]1CCC[C@H](C)C1 97050800 GKBWQQSWLKFEGV-STQMWFEESA-N 212.381 2.497 0 40 BEAB CC[C@H]1CCCCCN1C(=O)C[C@@H](N)C1CC1 125635605 SHSYXPMFGFNDMU-QWHCGFSZSA-N 238.375 2.295 0 40 BEAB CCOC(=O)c1ccc(OCC)nc1Cl 165890452 LZAQWUCWIAUKKA-UHFFFAOYSA-N 229.663 2.310 0 40 BEAB CC(=O)OC/C=C(\C)CC[C@@H]1NC1(C)C 169799763 CQDDPUCJKMDJFL-DJYGCBNOSA-N 211.305 2.026 0 40 BEAB COc1ccc([Si](C)(C)C)c(OC)c1 196299930 KNPQLVDPBJMVBH-UHFFFAOYSA-N 210.349 2.249 0 40 BEAB Cc1ccn2cc(-c3ccc(N)cc3)nc2n1 206580078 KLQCXQKNKXHJQF-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB CC(C)CO[C@@H](Cc1ccc(F)cc1)C(=O)O 220776233 NCIDWPMDFLZMBH-LBPRGKRZSA-N 240.274 2.494 0 40 BEAB O=C(O)C[C@@H](CC(=O)c1ccc[nH]1)C(F)(F)F 256052590 NXXXGCHVPSSGSE-ZCFIWIBFSA-N 249.188 2.241 0 40 BEAB FC1(F)CNCCCN(Cc2ccccc2)C1 1535538955 NYWNXZFRTILXHX-UHFFFAOYSA-N 240.297 2.117 0 40 BEAB C[C@@H]1C[C@@H](O)CC(C)(C)[C@@H]1C/C=C/C(=O)O 2332243372 MVHJGXZXOMOQBQ-RXIJRAFESA-N 226.316 2.451 0 40 BEAB COC(=O)Nc1cc(Cl)ccc1C=O 2362797580 KRTXVCUMHRFOMW-UHFFFAOYSA-N 213.620 2.331 0 40 BEAB O=S1c2ccccc2S(=O)c2ccccc21 400085 CEJYDWOCESGOJP-UHFFFAOYSA-N 248.328 2.333 0 40 BEAB COC(=O)C1=CN(C)[C@H](c2ccccc2)C=C1 1584457 WMCFQZRDOISIHD-ZDUSSCGKSA-N 229.279 2.286 0 40 BEAB COc1cccc([C@@]2(O)CCCC[C@@H]2CN)c1 2525854 QNPPIKMBCJUUTG-OCCSQVGLSA-N 235.327 2.032 0 40 BEAB biogenic,in-man CCC(=O)c1cc(OC)c(OC)c(OC)c1 3640823 FNFSOYGIQWSIEX-UHFFFAOYSA-N 224.256 2.305 0 40 BEAB biogenic CCN1C(=O)S/C(=C/c2ccco2)C1=O 5215137 PKFTWQOZAYHSSM-SOFGYWHQSA-N 223.253 2.336 0 40 BEAB Cc1cccc(C[C@@H](O)c2ccc(C=O)cc2)n1 5579683 FDRZXZLLXDEEJC-OAHLLOKOSA-N 241.290 2.479 0 40 BEAB O=C(O)CSc1cc(-c2ccccc2)ncn1 11768885 XBWZIQUVDKYKJX-UHFFFAOYSA-N 246.291 2.320 0 40 BEAB C[C@H](CN)Oc1ccccc1Br 11946518 OVUQVGJSOPILOW-SSDOTTSWSA-N 230.105 2.175 0 40 BEAB in-vitro Cc1cc(C=O)c(C)n1NC(=O)c1cccs1 13633515 JTQGTTFIEFZMGE-UHFFFAOYSA-N 248.307 2.363 0 40 BEAB O=C(O)c1ncoc1-c1cc(F)cc(F)c1 16158325 ATNKCUFWAHMBGS-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB CC1CCN(C[C@H](N)c2ccccc2)CC1 19821176 VOGOMHDDDFSBNE-AWEZNQCLSA-N 218.344 2.418 0 40 BEAB O=C1C[C@@H](c2ccc(F)c(F)c2)c2c[nH]nc2N1 20720764 PLLPEHQBRILBPU-ZETCQYMHSA-N 249.220 2.162 0 40 BEAB CCOC(=O)c1ccc(N)c(C(F)(F)F)c1 21304786 VWPNIUJAKBOMJD-UHFFFAOYSA-N 233.189 2.464 0 40 BEAB O=C(Nc1ccsc1C(=O)O)c1ccncc1 22150889 MQJQQTDTQYSZMN-UHFFFAOYSA-N 248.263 2.094 0 40 BEAB CCn1cc(C(=O)c2ccccc2)c(C)n1 26545754 UVPBZHUSJZYLJQ-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB CC(C)CNC[C@H](O)c1ccc(F)cc1 32012528 LNMKBIJDLWBVCZ-LBPRGKRZSA-N 211.280 2.105 0 40 BEAB O=C(CNC1CC1)Nc1ccc(F)c(Cl)c1 37386646 UZVGOVXEECSCMK-UHFFFAOYSA-N 242.681 2.170 0 40 BEAB CCn1c(C)cc(=O)c2c(OC)ccc(OC)c21 40164124 UGCCPVHQSVZTNU-UHFFFAOYSA-N 247.294 2.347 0 40 BEAB CC(C)=CC(=O)N[C@@H](C)Cc1ccco1 40510213 VYTKLTREMINQFC-JTQLQIEISA-N 207.273 2.293 0 40 BEAB N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 41030230 QVHOCLHCFGAPHJ-SECBINFHSA-N 245.248 2.028 0 40 BEAB Cc1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1 41528835 CQGINLNMDXMWPX-UHFFFAOYSA-N 243.310 2.265 0 40 BEAB COCCNC(=O)C1(c2cc(C)cc(C)c2)CC1 48167456 AQMSUWSNQJYXQQ-UHFFFAOYSA-N 247.338 2.098 0 40 BEAB CC(C)CC(=O)N[C@H]1COc2ccccc2C1 53043334 FSYWSPNTAZZCET-GFCCVEGCSA-N 233.311 2.152 0 40 BEAB CCO[C@H](C)C(=O)NCc1ccc(C)s1 58424139 DCHXWPRWXGEPSM-SECBINFHSA-N 227.329 2.098 0 40 BEAB CC(C)(C)C(=O)N1CCNC[C@H]1c1ccccc1 62622151 ZZEYQXKGPHDUOA-ZDUSSCGKSA-N 246.354 2.206 0 40 BEAB CC1(C)C(=O)Nc2ncc(Br)cc21 66338947 OBRVKOXWMFKRCE-UHFFFAOYSA-N 241.088 2.074 0 40 BEAB in-vitro CN(Cc1ccco1)C(=O)c1cc(C2CC2)on1 69350404 JUSGUDILQQHQJX-UHFFFAOYSA-N 246.266 2.417 0 40 BEAB COC(=O)CC(=O)c1c(C)[nH]c2ccccc12 71535141 PHLQRSQTSKZNIH-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@H]21 72210184 URXTVALAEXFDQW-WDEREUQCSA-N 240.347 2.138 0 40 BEAB CCN(CC)c1ccc([C@@H](C)O)c(C)n1 72224302 VNHXGGOIBVCLLQ-SNVBAGLBSA-N 208.305 2.290 0 40 BEAB CC[C@@H](N)c1ccc(N2CCCCC2)nc1 72225456 MGFJYVJXWZPMDV-GFCCVEGCSA-N 219.332 2.482 0 40 BEAB Cc1cc(C)n(Cc2ccc3c(c2)OCCO3)n1 75145336 JBLOGDMMAFBOFQ-UHFFFAOYSA-N 244.294 2.319 0 40 BEAB CSCC[C@](C)(O)CNC(=O)CC(C)(C)C 75157388 WEWWUFZFLLCNIN-LBPRGKRZSA-N 247.404 2.043 0 40 BEAB CC1CCC(N[C@H]2CCC[C@@H]2CO)CC1 89922663 ZLDSKRPHSHTWKG-KPFVRQRISA-N 211.349 2.316 0 40 BEAB CC1(C)CC(=O)Nc2ccc(C(=O)O)cc21 95094121 BEKPDYOODZOGOK-UHFFFAOYSA-N 219.240 2.005 0 40 BEAB CC[C@H](C)C(=O)O[C@@H]1CCCC[C@@H]1C(=O)OC 95456191 YVMWODHBBXEVIM-GARJFASQSA-N 242.315 2.308 0 40 BEAB C[C@@H](C[C@@H](O)c1cccs1)Nc1ncccn1 95973068 BOMTZTYGZXMGKJ-VHSXEESVSA-N 249.339 2.462 0 40 BEAB Cc1cccc(COC[C@@]23CCC[C@@H]2CNC3)n1 96109301 MJRRCRNFHHXCHT-HIFRSBDPSA-N 246.354 2.296 0 40 BEAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC 96125665 DXTBLEGYEIFCHI-AWEZNQCLSA-N 247.338 2.469 0 40 BEAB CCC(=O)NC[C@@H](OC)c1cccc(F)c1 96387882 RNIJNYQYYQSATE-LLVKDONJSA-N 225.263 2.039 0 40 BEAB O=C1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1C2 100003173 PDLKQXJZJXLNBA-SBFPOUOMSA-N 208.301 2.297 0 40 BEAB biogenic COc1ccc(C)cc1C(=O)CC(C)=O 101835711 HPXPZDBDYRZEIQ-UHFFFAOYSA-N 206.241 2.165 0 40 BEAB CC[C@@H]1CCCCCN1C(=O)C[C@H](N)C1CC1 125634925 SHSYXPMFGFNDMU-OLZOCXBDSA-N 238.375 2.295 0 40 BEAB Cc1cc([C@H](C)NN)ccc1Br 161794892 JDNYDHWZRSREPJ-ZETCQYMHSA-N 229.121 2.282 0 40 BEAB Cn1ccnc1C[S@@](=O)CC1CCCCC1 177068357 YUGSHMCNBYJBJH-INIZCTEOSA-N 240.372 2.249 0 40 BEAB Clc1ccc2c(c1)nc1n2CCOC1 197097576 AGHHKTFHRRGNCM-UHFFFAOYSA-N 208.648 2.220 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H]1CCCC(=O)C1 213151625 PLEPMTDRDKDDFD-VIFPVBQESA-N 227.304 2.365 0 40 BEAB C[C@@H]1O[C@@H](CCN)C[C@H]1Cc1ccccc1 252550348 SKEWEKXQTREGSI-YUTCNCBUSA-N 219.328 2.372 0 40 BEAB C[C@H](Cn1cncn1)N[C@@H]1CC[C@@H](C)[C@H](C)C1 252586972 UVRGJFLYRFVXHE-FDYHWXHSSA-N 236.363 2.081 0 40 BEAB Cc1cc(NCc2ccccc2C(=O)O)n(C)n1 256053040 PTCCBMMPJUREPQ-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB Cc1nn(C)c(C(F)F)c1Br 408716720 QFEUGKWECWFOHD-UHFFFAOYSA-N 225.036 2.429 0 40 BEAB CC1(C)C[C@@H](NCC2(O)CCC2)CCS1 905665113 VCDYUSHXFHIWLC-JTQLQIEISA-N 229.389 2.165 0 40 BEAB COc1cc(Br)c2nsnc2c1 1575064 BEJDDXJNTUNHSO-UHFFFAOYSA-N 245.101 2.462 0 40 BEAB CCCCOC(=O)OC(C)(C)C(=O)OCC 1599258 JFOFXNFJQWNBDP-UHFFFAOYSA-N 232.276 2.281 0 40 BEAB CC(=O)N1CCc2[nH]c3ccccc3c2CC1 1628887 YURQUERVVOOJLO-UHFFFAOYSA-N 228.295 2.115 0 40 BEAB C[C@@]1(c2ccccc2)OC[C@H](CCCCO)O1 1672093 LIJFPWAVKWEJMI-UONOGXRCSA-N 236.311 2.437 0 40 BEAB O=COCCCOCCCOc1ccccc1 1874328 KNNIGWIJHNPUMS-UHFFFAOYSA-N 238.283 2.035 0 40 BEAB CN(C)c1cccc(C(=O)C(F)(F)F)c1 3650531 ZMHBSXYQECXIJY-UHFFFAOYSA-N 217.190 2.498 0 40 BEAB CCc1ccc(CN[C@@H](CC)CO)cc1 5908660 YXLLTTFIVZPEAW-ZDUSSCGKSA-N 207.317 2.110 0 40 BEAB CC(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 6262796 SHXBKNHCKTUWOF-SNVBAGLBSA-N 249.310 2.291 0 40 BEAB COc1ccc2occ(CC(=O)O)c2c1 8028749 QJECPZMQFHRYGC-UHFFFAOYSA-N 206.197 2.069 0 40 BEAB CCc1cc(=O)[nH]c(Nc2ccc(C)cc2)n1 11903433 FITAYIRWVOCEJS-UHFFFAOYSA-N 229.283 2.384 0 40 BEAB O=c1[nH]c2ccccc2cc1CNC1CCC1 13998859 KDIJVLHLWGBKIR-UHFFFAOYSA-N 228.295 2.170 0 40 BEAB Cc1nccn1-c1c(N)cccc1Cl 15019563 JMCHLSXHJKSEEK-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB in-vitro Cc1c(NC(=O)CCc2ccccc2)cnn1C 28575033 ZFMRSZHNLFQNHF-UHFFFAOYSA-N 243.310 2.300 0 40 BEAB OC[C@@H](Cc1ccccc1)NCc1ccccc1 31561934 LHXDBXYWIPUULZ-MRXNPFEDSA-N 241.334 2.380 0 40 BEAB Nc1ncccc1-c1csc(C(=O)O)c1 34924668 UEUNCUMIOHTEFD-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB CC[C@H](C)C(=O)NCc1ccc(COC)cc1 36394039 YYDDPWLTIBEVTD-NSHDSACASA-N 235.327 2.495 0 40 BEAB Cc1ccc(S(=O)(=O)Oc2ccccn2)cc1 36489583 YXCSPMRGMHOTBN-UHFFFAOYSA-N 249.291 2.158 0 40 BEAB COc1cccc(C(F)(F)F)c1CN 38529853 CPYXGRVUWLCIHG-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB Cc1oc(-c2cccc(F)c2)nc1CN 39320605 OCOVDKRFDYLLQX-UHFFFAOYSA-N 206.220 2.248 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCCC[C@H]1C 40521059 PLLGXJQJNLAPSY-VXGBXAGGSA-N 227.348 2.449 0 40 BEAB Nc1cc(N)nc(SC2CCCCC2)n1 41023802 CSCJRGMABADGJR-UHFFFAOYSA-N 224.333 2.066 0 40 BEAB COC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C 41424143 KVWROTRFKNMNCH-JQWIXIFHSA-N 235.283 2.215 0 40 BEAB Cc1nnc(CN(C)[C@@H]2CCc3ccccc32)o1 42635216 GQKARBBIRIGEHD-CYBMUJFWSA-N 243.310 2.497 0 40 BEAB O=C(Nc1c(F)cccc1F)c1cnccn1 44866581 FQAJXAOZQPKXCO-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB C[C@H](NCC1CCOCC1)c1cccnc1 52172084 KEMVYXUYOIIOCA-NSHDSACASA-N 220.316 2.159 0 40 BEAB Cc1cc(Br)c(C)c(C(=O)O)c1O 57339497 SJDSYTZLIYIJBG-UHFFFAOYSA-N 245.072 2.470 0 40 BEAB CSc1nnnn1-c1cccc(C)c1C 60594816 CLVRKDZSFHLOPJ-UHFFFAOYSA-N 220.301 2.001 0 40 BEAB O=C(O)c1cc2cc(F)c(F)c(F)c2[nH]1 62706304 IRUXZNNSALVGTR-UHFFFAOYSA-N 215.130 2.283 0 40 BEAB CC(=O)CN1CCCc2ccccc2C1 62944962 SITUTRLKYBOHMK-UHFFFAOYSA-N 203.285 2.024 0 40 BEAB in-vitro CCN1Cc2cc(Cl)ccc2O[C@H](C)C1=O 64542472 IKFCYGMDWHDCJO-MRVPVSSYSA-N 239.702 2.469 0 40 BEAB CC(C)(O)CCc1ccc(C(=O)O)cc1 72207365 DVCVEZSFPNWRSF-UHFFFAOYSA-N 208.257 2.088 0 40 BEAB CCCN1CCC[C@@H]1c1ccc(N)nc1 72212363 VHEOZDFBESXITP-LLVKDONJSA-N 205.305 2.211 0 40 BEAB Cc1cc(C)nc([C@H]2CCCCN2C)n1 72356855 XLMJHFOBLSRECE-LLVKDONJSA-N 205.305 2.250 0 40 BEAB c1cnc(Nc2cccc([C@H]3CCCN3)n2)nc1 72376493 FJKZICSNLVSHPH-SNVBAGLBSA-N 241.298 2.040 0 40 BEAB N[C@H]1CCCc2n[nH]c(-c3ccccc3)c21 72415318 LRVFYKYPMWPIJC-JTQLQIEISA-N 213.284 2.413 0 40 BEAB N=C(N)SCCCCCCCCCO 77285225 DMZFZQHNHHNORG-UHFFFAOYSA-N 218.366 2.336 0 40 BEAB in-vitro COc1cc(OC)cc([C@@H]2CCN(C(C)=O)C2)c1 81639872 WNWYOFKYXILIED-LLVKDONJSA-N 249.310 2.040 0 40 BEAB CC1CC(C(=O)N2CCS[C@H](C)[C@@H]2C)C1 84766864 IJDTUOJQTXCTLD-LIZLNQBYSA-N 227.373 2.385 0 40 BEAB C[C@@]1(c2ccc(Cl)cc2)CNC(=O)C1 85133596 CXMBMJSSMWCTCP-NSHDSACASA-N 209.676 2.118 0 40 BEAB COC(=O)C1(Oc2ccc(C)cc2)CC1 85393122 JUPAGMFCSJBNRB-UHFFFAOYSA-N 206.241 2.079 0 40 BEAB FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1 90557581 DEYSRYSDNZTANC-LLVKDONJSA-N 244.260 2.023 0 40 BEAB CC(C)c1nc(Cl)c2nccnc2n1 95097282 GNVZJGAYXBOLSE-UHFFFAOYSA-N 208.652 2.197 0 40 BEAB COC(=O)c1scc(Cl)c1OC 96510942 URCUXAQASIUQLU-UHFFFAOYSA-N 206.650 2.197 0 40 BEAB CC1(C)C[C@]2(C(=O)O)CC[C@@]1(C)C(=O)C2 96527987 PUQLHGDQHCQSQZ-RYUDHWBXSA-N 210.273 2.247 0 40 BEAB CN1CCN(C(=O)C2CCC2)c2ccc(F)cc21 98014053 STOJSKYGZVUKMH-UHFFFAOYSA-N 248.301 2.409 0 40 BEAB N[C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 100806669 VPQBIPSVFUOWAI-PHIMTYICSA-N 248.301 2.051 0 40 BEAB COC(=O)[C@H](c1ccc(F)cc1)N1CCCC1 101543018 GQHXTRDCXKZACJ-LBPRGKRZSA-N 237.274 2.136 0 40 BEAB CSC(C)(C)CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102707265 SQSOSDVBJIFKSI-GARJFASQSA-N 239.384 2.456 0 40 BEAB COC(=O)C[C@@]12CC[C@](C)([C@@H](O)C1)C2(C)C 103708297 QSMUFBCONLGVEU-ZWKOPEQDSA-N 226.316 2.127 0 40 BEAB C[C@H]1[C@@H](C)[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@@H](O)C=C[C@]56[C@H]1[C@@H]43 104286500 VVDJHGYLWXVZIO-CPJOVIMFSA-N 228.335 2.317 0 40 BEAB CCn1cc(CNc2cnn(C(C)C)c2)cn1 157383829 ULIUVTKEZMTHMJ-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB C[C@H]1CC(C)(C)C[C@H]1NCCCn1ccnn1 192391716 FAELYVBMFLIDES-NWDGAFQWSA-N 236.363 2.083 0 40 BEAB CCn1nccc1CN(C)[C@@H](C)c1cccnc1 195561942 CQUWDNPIDPDENL-LBPRGKRZSA-N 244.342 2.491 0 40 BEAB CCc1nc2cc(C(=O)NC3CC3)ccc2n1C 225895855 ZVUXMBYOSXJZSS-UHFFFAOYSA-N 243.310 2.028 0 40 BEAB O=S(=O)(c1cnccc1Cl)C(F)(F)F 242701447 WEELLDCLASZPSV-UHFFFAOYSA-N 245.609 2.029 0 40 BEAB CCn1cc(NCc2ccccc2C(=O)O)cn1 256053547 RWPGCDMMPVDHHJ-UHFFFAOYSA-N 245.282 2.213 0 40 BEAB Cc1cn[nH]c1[C@H]1CCN(Cc2cccn2C)C1 257319722 VTUMQGKUWMGYLH-LBPRGKRZSA-N 244.342 2.046 0 40 BEAB CCO[C@@H](C)n1nc(C(F)(F)F)cc1C=O 408715693 CNJNAFJOWDGHKU-LURJTMIESA-N 236.193 2.269 0 40 BEAB N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 536952972 MWASXFZJZJQKRB-IVZWLZJFSA-N 224.101 2.046 0 40 BEAB CCCCn1ccc(Cl)c(C=O)c1=O 575423117 KNMIQTDHJNCGEO-UHFFFAOYSA-N 213.664 2.114 0 40 BEAB CC1=C2C=C[C](Br)C=C2CN1 1560405382 UBDQOZVOZOJOIP-UHFFFAOYSA-N 211.082 2.287 0 40 BEAB CCc1cc(=NC2CCC2)[nH]c(C2CC2)n1 2086856771 LVJRKCMYVBZRMV-UHFFFAOYSA-N 217.316 2.303 0 40 BEAB Cc1ccc(-c2nc(NC(=O)CO)cs2)cc1 342427 NLOMIRCCXVKHRW-UHFFFAOYSA-N 248.307 2.049 0 40 BEAB CCOc1cc2c(cc1C=O)O[C@H](C)C2 3882879 BRNLPMZGFLCURP-MRVPVSSYSA-N 206.241 2.221 0 40 BEAB in-vitro COc1ccccc1-c1csc(NN)n1 4294001 STFMGWJTFANYEM-UHFFFAOYSA-N 221.285 2.104 0 40 BEAB COc1cccc(-c2cnc(NC(C)=O)n2C)c1 4678708 QSDJXYIQJFMYDO-UHFFFAOYSA-N 245.282 2.054 0 40 BEAB CC[C@H](C)C(=O)Nc1nc(C)cc(C)n1 5665608 HXGZGRXLJLWUTE-ZETCQYMHSA-N 207.277 2.078 0 40 BEAB CCOc1cc(CCC(=O)O)ccc1OC 11885676 XOHHVCSPHJILQB-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB Cc1nc(-c2ccco2)nc(S)c1C(=O)O 12505744 KWHJYRNULLJIKY-UHFFFAOYSA-N 236.252 2.032 0 40 BEAB COc1ccc(NC(=O)[C@H]2CC=CCC2)cn1 12527902 VHGKLCISBJLUCJ-JTQLQIEISA-N 232.283 2.385 0 40 BEAB CC(C)C(=O)N[C@H]1CCc2ccccc21 12946910 AUUGTFHMADXWAJ-LBPRGKRZSA-N 203.285 2.446 0 40 BEAB Cc1ccc2c(c1CO)[C@@](C)(CO)CC2(C)C 13378862 UQQKKLVKVVJDEX-OAHLLOKOSA-N 234.339 2.419 0 40 BEAB biogenic,in-vitro Cc1ccc(O)c(-c2csc(N)n2)c1 19772401 JMLQQWPWAGJCEQ-UHFFFAOYSA-N 206.270 2.406 0 40 BEAB OCCCOc1ccccc1Br 19786138 VCPDWUFXIQUZSV-UHFFFAOYSA-N 231.089 2.210 0 40 BEAB in-vitro Cc1nccn1-c1ccc([C@@H](C)N)cc1 19872910 WPLSPYJGWHJRPP-SECBINFHSA-N 201.273 2.200 0 40 BEAB in-vitro O=C(c1cccnc1)N1CCc2sccc2C1 21626769 CTWLFOAVAVLWFH-UHFFFAOYSA-N 244.319 2.342 0 40 BEAB CCCC(=O)OC/C=C\COC(=O)CCC 21986285 OGJKSGMVEHGEKF-WAYWQWQTSA-N 228.288 2.229 0 40 BEAB O=C(CCC(=O)N1CCCC1)c1ccccc1 32218375 YTNHDSKQOYLWEY-UHFFFAOYSA-N 231.295 2.272 0 40 BEAB Nc1n[nH]c2nc(C3CC3)c(Cl)cc12 32911363 GQCSDBLOEWYZNU-UHFFFAOYSA-N 208.652 2.071 0 40 BEAB NNc1cc(NCc2ccc(Cl)cc2)ncn1 32951418 LIJZTTCHHFYJJP-UHFFFAOYSA-N 249.705 2.028 0 40 BEAB O=C(O)/C=C\c1cc(F)c(F)c(F)c1 33374097 PHIWFMZBVZFEQJ-UPHRSURJSA-N 202.131 2.202 0 40 BEAB C[C@@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 36076064 VTVURPHBXUKYSE-SECBINFHSA-N 239.702 2.201 0 40 BEAB Cc1cc(Cl)ccc1O[C@H]1CCNC1 36142114 XRUFQYARQASCJY-JTQLQIEISA-N 211.692 2.389 0 40 BEAB CCOc1ccc(-c2cnc(C(=O)O)o2)cc1 36162826 KNFRAZSPYNKVBV-UHFFFAOYSA-N 233.223 2.439 0 40 BEAB O=C(CC[C@@H]1CCCO1)N1CCCCCC1 40073300 WXUQTYBQRBNJEN-LBPRGKRZSA-N 225.332 2.348 0 40 BEAB Cc1ccc(CN2CCC(CN)CC2)c(C)c1 44511863 BRMWKHCKEFNREB-UHFFFAOYSA-N 232.371 2.474 0 40 BEAB COC(=O)c1ccc(NC(=O)N2CCCC2)cc1 48008085 VKMJQTQNQRRMGV-UHFFFAOYSA-N 248.282 2.101 0 40 BEAB CC[C@@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O 48400485 QXRXWILZKJCKDB-NEPJUHHUSA-N 247.294 2.071 0 40 BEAB COc1ccc(CNC2CCC(N)CC2)cc1 51693535 PLYSNGIYXAKMAZ-UHFFFAOYSA-N 234.343 2.055 0 40 BEAB C[C@@H]1C[C@@H]1NCc1cc2ccccc2nc1O 52272068 BVQQDSVKWBOVNH-RNCFNFMXSA-N 228.295 2.438 0 40 BEAB CCS(=O)(=O)NCc1cccc2ccccc12 63764409 JEEJPHWOIJWDAX-UHFFFAOYSA-N 249.335 2.279 0 40 BEAB c1csc(CCN2CCc3cncnc3C2)c1 69738433 QRGVWMYTEAGSPP-UHFFFAOYSA-N 245.351 2.139 0 40 BEAB CCN1CCC[C@@H]1c1c(C)nn(C)c1C 71876695 RGPXRSJFVSJAPT-LLVKDONJSA-N 207.321 2.194 0 40 BEAB Cc1nccc([C@@H]2CCCCN2C(=O)C(C)C)n1 72383243 AWXLHUHERBSMTK-ZDUSSCGKSA-N 247.342 2.495 0 40 BEAB Nc1nc(Cl)c(Cl)c(N2CCCCC2)n1 78582735 MVTANYJOOAVQJK-UHFFFAOYSA-N 247.129 2.356 0 40 BEAB COC(=O)c1cc(C)ccc1-c1ncccn1 82046811 CLMWIPNRUDBNEW-UHFFFAOYSA-N 228.251 2.239 0 40 BEAB c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)nc1 84610049 AANHORXFQWBTRE-UONOGXRCSA-N 232.327 2.225 0 40 BEAB O=C(CC1(O)CCCCC1)N1CCCCC1 89818196 NCOXUDXYANTFKX-UHFFFAOYSA-N 225.332 2.084 0 40 BEAB OCC1(CNC2CCCCCCC2)CC1 89818939 UQIXEZFNFMJOOB-UHFFFAOYSA-N 211.349 2.461 0 40 BEAB CC1CCC(N[C@@H]2CCC[C@@H]2CO)CC1 89922662 ZLDSKRPHSHTWKG-POOIEITISA-N 211.349 2.316 0 40 BEAB Cc1nn(C)c(C)c1OC(=O)OC(C)(C)C 92255374 QYKNNKYZXWNOBK-UHFFFAOYSA-N 226.276 2.351 0 40 BEAB CSC[C@H](C)OC(=O)c1cncc(C)c1 95426606 KJNINRSOYTWXRZ-VIFPVBQESA-N 225.313 2.298 0 40 BEAB CCn1ccnc1SCC[C@@H]1CCCN1C 95975921 DOVLOBDTHMDFSR-NSHDSACASA-N 239.388 2.479 0 40 BEAB N#CN(CCCO)c1ccc(F)c(Cl)c1 96436660 OEQAPWLVJZSAQK-UHFFFAOYSA-N 228.654 2.149 0 40 BEAB C[C@H](Cc1ccc(F)cc1)N1CCC[C@@H]1CN 97102810 CJTHVAHMTXTEJG-BXUZGUMPSA-N 236.334 2.180 0 40 BEAB COc1ccc(CC2(CN)CCC2)cc1 98214095 RNNQPUSZSNFXJL-UHFFFAOYSA-N 205.301 2.367 0 40 BEAB COC(=O)Cc1c[nH]c2cc(C)ccc12 101965452 QQKKAJLJPXGMDF-UHFFFAOYSA-N 203.241 2.192 0 40 BEAB Cc1ccc(N[C@H]2CCC[C@@H]2N)c(F)c1 218884529 BWUPPTTVUKAZBA-JQWIXIFHSA-N 208.280 2.426 0 40 BEAB S=C(c1cccnc1)N1CCCCC1 225278926 AFHYFWJTSOIEBL-UHFFFAOYSA-N 206.314 2.243 0 40 BEAB N[C@@H](c1cnc2c(c1)CCCC2)C1CC1 242718346 XKSOMGULYBKXJJ-CYBMUJFWSA-N 202.301 2.370 0 40 BEAB CCCn1nccc1CNc1nn(CC)cc1C 256053069 PVRIWNGVLRMELT-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB O=C(O)[C@@H](NCc1ccccc1)C12CC(F)(C1)C2 258830769 HWTDFVYDHVQYQO-LMWSTFAQSA-N 249.285 2.122 0 40 BEAB COC(=O)c1ccc(C2(N)CC2)c(Cl)c1 260025390 NMLRMMSUBIJWDN-UHFFFAOYSA-N 225.675 2.074 0 40 BEAB CCn1nccc1-c1cc(C=O)cc2c1OCO2 521399165 GXSFMLMXIXEAHZ-UHFFFAOYSA-N 244.250 2.111 0 40 BEAB COc1ccc(N(C#N)C[C@H]2CCCOC2)cc1 530315521 NTFRSSRPLZEPFV-GFCCVEGCSA-N 246.310 2.409 0 40 BEAB O=Cc1cc(F)ccc1Oc1ncccn1 575424211 XIZLOKXGJFWZER-UHFFFAOYSA-N 218.187 2.221 0 40 BEAB CN(c1cc(C(F)(F)F)ccn1)[C@H]1CC[C@H]1O 585298016 NTPJQBNFAUGXIT-DTWKUNHWSA-N 246.232 2.060 0 40 BEAB O=c1c2cc(C3CC3)nn2ccn1CC1CCC1 1775995129 DAIVUBSIEYIIGU-UHFFFAOYSA-N 243.310 2.174 0 40 BEAB Cc1cccc(NC(=S)NC(=O)C2CC2)c1 359123 USMAMDKJSMYYBV-UHFFFAOYSA-N 234.324 2.218 0 40 BEAB COc1ccc2oc(C(C)=O)c(N)c2c1 380830 YVUNBCMFXGUQJJ-UHFFFAOYSA-N 205.213 2.226 0 40 BEAB O=C(O)/C=C/c1coc2cc(F)ccc2c1=O 546346 RIALBBDQHHCQAJ-DAFODLJHSA-N 234.182 2.030 0 40 BEAB Fc1cccc2ncn(C3CCNCC3)c12 2577373 VQARRGFTUSZELJ-UHFFFAOYSA-N 219.263 2.100 0 40 BEAB CCCNC(=O)C(F)(F)Oc1ccc(F)cc1 3117021 IIBWJTGYLXOFFH-UHFFFAOYSA-N 247.216 2.324 0 40 BEAB Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)no1 4030922 IYJKHTMDTYUZEX-AEJSXWLSSA-N 220.272 2.358 0 40 BEAB O=C(O)/C=C\c1c(F)c(F)c(F)c(F)c1F 4481119 IUUKDBLGVZISGW-UPHRSURJSA-N 238.111 2.480 0 40 BEAB O=C(Nc1ccccc1Cl)[C@H]1CCCO1 5771524 UNNZPGJQMWZMHC-SNVBAGLBSA-N 225.675 2.458 0 40 BEAB CCn1c(=S)[nH]c2c(C)cccc2c1=O 7044340 XQRSBQLSNLHHNK-UHFFFAOYSA-N 220.297 2.387 0 40 BEAB CN(C)c1nc(-c2ccc(O)cc2O)cs1 9256717 FHMHDRYRERNMRE-UHFFFAOYSA-N 236.296 2.287 0 40 BEAB COc1ccc(CNC(=O)C2CCCCC2)cn1 10990462 HEENIXDEXNJOFW-UHFFFAOYSA-N 248.326 2.287 0 40 BEAB NCCc1cc(Br)ccc1F 19385187 QMGYXKZLUJETTB-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB in-vitro COc1cccc(CN[C@H]2CCCC[C@H]2O)c1 21998208 KITNMKPUMWTLPQ-UONOGXRCSA-N 235.327 2.088 0 40 BEAB NC(=S)Nc1ccc(Cc2ccncc2)cc1 31935640 KMOUZFRVNIRZRT-UHFFFAOYSA-N 243.335 2.328 0 40 BEAB O=C(O)Cc1ccc2cc(O)ccc2c1 33604885 YNECZMXVHIGGSP-UHFFFAOYSA-N 202.209 2.173 0 40 BEAB in-vitro O=C(O)[C@@H]1C[C@H]1c1nc2ccccc2s1 34926279 QENQUKIOSLLIGG-RNFRBKRXSA-N 219.265 2.484 0 40 BEAB CCC[C@H](N)C(=O)N[C@H](C)c1cccs1 36873288 MCLCBTCMINUICY-BDAKNGLRSA-N 226.345 2.053 0 40 BEAB CN[C@@](C)(C(=O)O)c1cccc(C(F)(F)F)c1 37180653 NOPHVSHTMRSVIF-SNVBAGLBSA-N 247.216 2.225 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCCCC1 40007865 RDHQNZHPEKEPFR-CHWSQXEVSA-N 238.375 2.262 0 40 BEAB COC[C@H](C)NCc1cc(C)ccc1C 42209273 RUJGTBFRADPMPE-LBPRGKRZSA-N 207.317 2.428 0 40 BEAB C[C@H](C(=O)O)n1ccnc1-c1ccccc1 44353374 JQCIZZBJPBAXOQ-SECBINFHSA-N 216.240 2.196 0 40 BEAB in-vitro Nc1c(N2CCCC2)cccc1N1CCCC1 57218469 LEYUOSZXXOFUDI-UHFFFAOYSA-N 231.343 2.469 0 40 BEAB in-vitro CCOC(=O)c1cc(O)ccc1Br 71257051 BJWKSJXBOQFQEU-UHFFFAOYSA-N 245.072 2.331 0 40 BEAB COc1cccc(-c2cc(O)on2)c1OC 71976649 UCFQMYYEJWSZRF-UHFFFAOYSA-N 221.212 2.064 0 40 BEAB Cc1ccc(N2CC[C@@H](O)C2)cc1Cl 72206462 JIBOXLFDVGCGKP-SNVBAGLBSA-N 211.692 2.219 0 40 BEAB Cc1cc(N(C)C)ncc1C1=NCCCC1 72218691 VNUOXAQWYMUPEM-UHFFFAOYSA-N 217.316 2.429 0 40 BEAB c1ccc([C@H]2CCCN(c3ncccn3)C2)nc1 72357244 LIKKMGYBJDJMKY-LBPRGKRZSA-N 240.310 2.256 0 40 BEAB OCc1ccc(F)c(Br)c1F 75925974 VRPCOBYSNDSKIJ-UHFFFAOYSA-N 223.016 2.220 0 40 BEAB CCOC(=O)C(F)(F)c1ccc(N)c(C)c1 77051519 QYZUSPHUSPLLEH-UHFFFAOYSA-N 229.226 2.232 0 40 BEAB CC(C)C[C@@H](CO)Nc1cccc(F)n1 78661353 LUINXYVQUTXEND-VIFPVBQESA-N 212.268 2.040 0 40 BEAB Cc1ccc(-c2noc(C=O)n2)cc1C 89262071 APEXZLPMAMTAGR-UHFFFAOYSA-N 202.213 2.166 0 40 BEAB CCC[C@@H](C(=O)N1CC[C@@H](CCO)C1)C(C)C 95979547 IBKNEGULTHTECG-QWHCGFSZSA-N 241.375 2.290 0 40 BEAB CCCn1cc(N[C@H](C)CCOC)cn1 95991558 KGJGBVMALWBMSY-SNVBAGLBSA-N 211.309 2.130 0 40 BEAB CCOC(=O)[C@H]1C[C@H](C(F)(F)F)CCC1=O 96509635 WUFBIEFFUPMRDQ-RQJHMYQMSA-N 238.205 2.097 0 40 BEAB COCCOc1c(Cl)csc1C(=O)O 96510955 UQDPMEDQAJPSTB-UHFFFAOYSA-N 236.676 2.125 0 40 BEAB C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccncc1 97096323 OKEIJSBULLVRDS-DGCLKSJQSA-N 247.342 2.188 0 40 BEAB NC(=O)C1[C@H]2CCC[C@H]1C2c1ccccc1 100093104 MPCWVJUCAGFELW-ZSVAQUKISA-N 215.296 2.302 0 40 BEAB Cc1ccc(NC2=CS(=O)(=O)CC2)cc1 100441287 UVAKEUVIRJBNOE-UHFFFAOYSA-N 223.297 2.067 0 40 BEAB in-vitro C[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2)C[C@@H]1C 129766673 QNBVJVUNGNGMDR-MBNYWOFBSA-N 246.354 2.191 0 40 BEAB O=C1NCC[C@H]1Cc1ccc(Cl)cc1 139259539 CJWQGCUNKQPNBU-VIFPVBQESA-N 209.676 2.019 0 40 BEAB FC(F)c1cnc(Br)cn1 214941523 GJVYCYDKPAJZCO-UHFFFAOYSA-N 208.993 2.177 0 40 BEAB Cn1c(CNC2CC2)ccc1Cc1ccco1 226021429 JRZRSMWIYHNUCX-UHFFFAOYSA-N 230.311 2.461 0 40 BEAB Nc1cc(F)c(C=O)c(C(F)(F)F)c1 306389650 RZZAKDYSMQTXEP-UHFFFAOYSA-N 207.126 2.239 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@@H](N)C2 307290077 ZVJHYQSIDJVEIE-MFKMUULPSA-N 240.347 2.267 0 40 BEAB CC(C)(C)NC(=O)c1ccc2cnncc2c1 408980433 WPAPJCBGNBXPSG-UHFFFAOYSA-N 229.283 2.158 0 40 BEAB Cc1n[nH]cc1-c1ccc2c(c1)CN(C)C(=O)N2 534675022 DRILWWHTHUWCOF-UHFFFAOYSA-N 242.282 2.362 0 40 BEAB OCc1c(F)ccc(F)c1C(F)(F)F 575696004 TYBUWMGRLHOWEW-UHFFFAOYSA-N 212.117 2.476 0 40 BEAB O=S(=O)(NCC12CCC(CC1)C2)C1CCC1 882018715 DLVZKSZAXCXZKY-UHFFFAOYSA-N 243.372 2.039 0 40 BEAB O=C(Nc1ccccc1O)c1ccco1 233274 FXJSAZHLFUMQLC-UHFFFAOYSA-N 203.197 2.238 0 40 BEAB CC(C)CNC(=O)c1cc2ccccc2oc1=O 341401 BKVFDOZWDVAMFZ-UHFFFAOYSA-N 245.278 2.179 0 40 BEAB in-vivo Nc1ccc(C2(C(=O)O)CCCC2)cc1 1513056 YIQOEBGLMQXPHZ-UHFFFAOYSA-N 205.257 2.165 0 40 BEAB in-vitro CC(=O)N[C@H]1CCCC[C@@H]1C1CCC(N)CC1 1579180 OVPICLNSCJKJLW-PQAZSJQKSA-N 238.375 2.199 0 40 BEAB CCc1ccc(OCCO)c(Cl)c1 1596137 VBTZQKUDPUUIEE-UHFFFAOYSA-N 200.665 2.274 0 40 BEAB CC(C)C(=O)[C@@H](CCN(C)C)c1ccccn1 1675592 PNLVBCYMNFQAOQ-LBPRGKRZSA-N 234.343 2.342 0 40 BEAB CCOC(=O)COc1ccc(C)cc1C 3108114 BFQNVMOPPFUZPF-UHFFFAOYSA-N 208.257 2.245 0 40 BEAB Cc1cc(C(C)(C)C)ccc1OCC(N)=O 3183785 MCUAKQXVLAQRNY-UHFFFAOYSA-N 221.300 2.157 0 40 BEAB COc1ccc([C@@H](O)[C@H](O)c2ccccc2)cc1 3852409 JDBJGKZPEUFETH-HUUCEWRRSA-N 244.290 2.462 0 40 BEAB biogenic CCOCCCN[C@H](C)c1ccncc1 4537813 HVOUWNQPTJHLOW-LLVKDONJSA-N 208.305 2.159 0 40 BEAB Cc1ccc(NC(=O)c2cnn(C)c2)cc1C 7915315 GLJWGAJINGUXFI-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CSc1ccccc1N[C@H](C)C(=O)O 8702711 YDKLITVILJYYGR-SSDOTTSWSA-N 211.286 2.294 0 40 BEAB COc1cccc([C@H]2C[C@@H]2C(C)=O)c1OC 20594339 GAECBCABHWULGJ-GHMZBOCLSA-N 220.268 2.396 0 40 BEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CO 21953190 KGJYFPMLDRHLEK-UHFFFAOYSA-N 240.665 2.466 0 40 BEAB C1=CC2=CC=C[C@@H](CC3=NCCN3)[C@@H]2C=C1 21983093 ZJSGEQUSOJAXBX-QWHCGFSZSA-N 212.296 2.233 0 40 BEAB COc1ccc(-n2nnc3ccccc32)cc1 32222058 DPYAUWPYQFZPKV-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB Cc1cc(N2CCNCC2)c2cccc(F)c2n1 32500257 GDPUUBORBRJEPM-UHFFFAOYSA-N 245.301 2.092 0 40 BEAB COc1ncccc1C(=O)Nc1cccc(F)c1 32755160 FZAMMTSCIWVYCW-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CC[C@H]1c2ccsc2CCN1C(=O)COC 32781329 UMDSHPPGSXCPRG-JTQLQIEISA-N 239.340 2.230 0 40 BEAB O=Cc1ccc(I)s1 33505826 YMOXKONMCDJXOD-UHFFFAOYSA-N 238.049 2.165 0 40 BEAB CC(=O)C(C)(C)C(=O)OCc1ccccc1 34102140 JAWBEXQPAJTVNM-UHFFFAOYSA-N 220.268 2.345 0 40 BEAB C=CC(=O)NCCCCOCc1ccccc1 34113814 STECCKXPOOOXFB-UHFFFAOYSA-N 233.311 2.286 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](CN)C1CCCCC1 34781618 VNULYAAMWXJKNO-NSHDSACASA-N 242.363 2.419 0 40 BEAB COC(=O)C[C@@H](C)NCc1ccc(Cl)cc1 35748672 QKDWILGTHSGXOG-SECBINFHSA-N 241.718 2.381 0 40 BEAB Clc1ccc2nccc(N3CCNCC3)c2c1 40175317 VZRDBLFATANAIO-UHFFFAOYSA-N 247.729 2.298 0 40 BEAB in-vitro C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccccc1 40490080 BKKOFXVZUIRYJE-JTQLQIEISA-N 239.340 2.106 0 40 BEAB Cc1cc(Br)cnc1N(C)C 42783618 VWIQEXZPUGUNLV-UHFFFAOYSA-N 215.094 2.219 0 40 BEAB COCc1ccc(CNC(=O)C2CCC2)cc1 46293629 OWEOGXYHUCXIPI-UHFFFAOYSA-N 233.311 2.249 0 40 BEAB Nc1cc(Cc2ccccc2)c(O)c(C(=O)O)c1 57352740 BSCSXPAMPFATPI-UHFFFAOYSA-N 243.262 2.263 0 40 BEAB N=C(N)COc1cc(Cl)cc(Cl)c1 57616942 QSTJDJPGHYYIHJ-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB O=[N+]([O-])/C=C/c1ccc(N2CCCC2)o1 59138414 XJKNLLMHSLEIKV-VMPITWQZSA-N 208.217 2.127 0 40 BEAB Cc1ccc(-c2nnc(N)o2)cc1Cl 63021626 ZUARRAXFAUCWGV-UHFFFAOYSA-N 209.636 2.281 0 40 BEAB Cc1cc2c(F)ccc(C)c2nc1NN 63118995 HRTLBIBKMPDBFI-UHFFFAOYSA-N 205.236 2.276 0 40 BEAB CCOC(=O)c1ccc([C@H](N)C(F)(F)F)cc1 72190809 DQNXCZFKVCZAMA-VIFPVBQESA-N 247.216 2.425 0 40 BEAB CCC(=O)NCCCn1ncc2ccc(C)cc21 72239516 BVZUOUXPSJVYGS-UHFFFAOYSA-N 245.326 2.261 0 40 BEAB Cc1cc(NC(=O)NCc2cccnc2)ccn1 74753391 BJUWOHRUWRBZTB-UHFFFAOYSA-N 242.282 2.107 0 40 BEAB CCC[C@@H](C)NC(=O)NCc1ccn(C)c1 75092510 DUNSLSPEJNMMNX-SNVBAGLBSA-N 223.320 2.013 0 40 BEAB COC(=O)c1sc(-c2ccccc2)nc1N 82300639 LFMBGUXTCMPIQO-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB Cc1cnc(N2CCC(C)CC2)c(N)c1 82532455 PWWXOSFWYNYNFH-UHFFFAOYSA-N 205.305 2.209 0 40 BEAB C[C@@H](C(=O)O)N1CCc2ccc(Cl)cc2C1 82791313 XJUWWICONBBZQF-QMMMGPOBSA-N 239.702 2.171 0 40 BEAB O=C1Cc2c(Cl)ccc(Cl)c2N1 84199210 LVXWMUMMJRHVPF-UHFFFAOYSA-N 202.040 2.488 0 40 BEAB in-vitro CC(=O)Oc1ccccc1C(=O)C(F)(F)F 91677900 ZDSJPINRUMZWHZ-UHFFFAOYSA-N 232.157 2.357 0 40 BEAB CCn1cc(C(=O)OCc2cc(C)oc2C)cn1 95416868 VYMNQJJTCLJOKG-UHFFFAOYSA-N 248.282 2.470 0 40 BEAB CC1(C)C[C@H](N[C@H]2CCC[C@@H]2CO)C(C)(C)O1 95423277 ZVKJHZJZELUAOA-WOPDTQHZSA-N 241.375 2.083 0 40 BEAB O=C(O)c1cc2occc2n1C[C@@H]1CCCO1 96516211 LJTSIDLMBBOAQT-QMMMGPOBSA-N 235.239 2.112 0 40 BEAB CCC[C@](C)(NC(=O)/C=C/C(C)(C)C)C(=O)O 97017860 AIXZFYVWZLZFTF-XOVSCCBYSA-N 241.331 2.348 0 40 BEAB Cn1ccc(CNc2nnc(C(C)(C)C)o2)c1 97375451 IVWPBVJOQYEEFD-UHFFFAOYSA-N 234.303 2.318 0 40 BEAB C[C@@H](Cc1cccc(C(F)(F)F)c1)NN 161783272 RTQTZMZVIXHHHX-ZETCQYMHSA-N 218.222 2.100 0 40 BEAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)C 225500325 ZAZCMXYJHXKLSZ-NSHDSACASA-N 247.338 2.421 0 40 BEAB Cc1ccc([C@](C)(O)C(F)(F)F)cn1 256055139 ZITPLJMUYMKRRE-QMMMGPOBSA-N 205.179 2.160 0 40 BEAB FC1(F)CC(COc2ncnc3c2CCC3)C1 585652619 QBENXLJXXKKPPB-UHFFFAOYSA-N 240.253 2.389 0 40 BEAB O=C(c1c(F)cccc1F)N1CCSCC1 140252 TWWOFABCYQCWRY-UHFFFAOYSA-N 243.278 2.154 0 40 BEAB O=C(O)c1cnc(Br)c(Cl)c1 334404 GWVTXYPCKUNVIZ-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB COc1ccc2occ(NC(C)=O)c2c1 862735 WEDVSMIOACMFDU-UHFFFAOYSA-N 205.213 2.400 0 40 BEAB CCOC(=O)c1cccc(=O)c2c(C)[nH]c(C)c12 1422508 MOTGTQFBXGHRIH-UHFFFAOYSA-N 245.278 2.322 0 40 BEAB O=C(O)CCCCSCCCCC(=O)O 1661158 ACAYZXFEFNEADF-UHFFFAOYSA-N 234.317 2.229 0 40 BEAB CN(C)CCC(CCN(C)C)c1ccccn1 1675599 BWRISRGTJAMMGB-UHFFFAOYSA-N 235.375 2.069 0 40 BEAB COCC[C@H]1OC[C@H](c2ccccc2)O1 1689183 MJEPAQAXQVRGOY-NEPJUHHUSA-N 208.257 2.137 0 40 BEAB Clc1cccc2c(N3CC3)cnnc12 1695550 HSYBZYZPJOZBTC-UHFFFAOYSA-N 205.648 2.103 0 40 BEAB CCOC(=O)Nc1c[nH]c2c(C)cccc2c1=O 4904684 UVEHETSYJMJRAH-UHFFFAOYSA-N 246.266 2.405 0 40 BEAB Cc1cc2[nH]c(C(=O)O)c(C=O)c2s1 5016792 UIXMSKWGNJIRTA-UHFFFAOYSA-N 209.226 2.049 0 40 BEAB in-vitro O=C(NCc1ccccn1)c1cccnc1Cl 5395298 FODJCEYCDFPECI-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB CO[C@H](C(=O)O)c1ccc(Br)cc1 5606572 IIKGWGCSARLGNN-QMMMGPOBSA-N 245.072 2.221 0 40 BEAB COc1ccccc1CC(=O)NCCC(C)C 5632828 FEFFUSNTSZFBAV-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB COC(=O)[C@H](C)n1c(C)csc1=S 6491829 YCIZLNJNFXTTJQ-LURJTMIESA-N 217.315 2.322 0 40 BEAB CC(=O)c1ccc(OC(=O)c2cc(C)on2)cc1 7655862 YNDYAQMWEUALQG-UHFFFAOYSA-N 245.234 2.405 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccc(C(=O)NC)cc1 8033681 WABAAULGWPVYTQ-VNKDHWASSA-N 244.294 2.117 0 40 BEAB CCCNC(=O)N[C@@H]1CCc2ccccc21 12897023 YBDQHCQSUONJNH-GFCCVEGCSA-N 218.300 2.383 0 40 BEAB CCCOCCOc1ccc(N)cc1C 14630491 RSQWZRUFURBFKC-UHFFFAOYSA-N 209.289 2.383 0 40 BEAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1 15446207 GRBUTWWFTFQSMF-SECBINFHSA-N 210.708 2.138 0 40 BEAB C[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1 24045788 OSEXSQZPYFPVBH-LLVKDONJSA-N 232.327 2.160 0 40 BEAB NS(=O)(=O)c1cccc2cccc(Cl)c12 26481363 OIUXSCGLVHLXMG-UHFFFAOYSA-N 241.699 2.141 0 40 BEAB COc1ccc([C@@H]2C[C@H]2C(C)=O)cc1OC 31829286 WFCJJPNRPWWNHK-QWRGUYRKSA-N 220.268 2.396 0 40 BEAB O=C(O)C12CCC(Br)(CC1)C2 34329637 DKZHMCMRZOJEHS-UHFFFAOYSA-N 219.078 2.169 0 40 BEAB COc1ccc(C)cc1CNC[C@H]1CCCO1 35161740 IZIWMECMESLAIK-CYBMUJFWSA-N 235.327 2.272 0 40 BEAB Cc1nc2ccccc2n1[C@@H](C)CC(=O)O 35741153 OKIXBZKGCOTSCO-QMMMGPOBSA-N 218.256 2.380 0 40 BEAB O[C@@H]1CCN(Cc2c(F)cccc2Cl)C1 38539028 JJSYMSMQHJJVSO-MRVPVSSYSA-N 229.682 2.046 0 40 BEAB CCCN(CC(=O)NC1CC1)Cc1ccccc1 40460420 BVBIUQWKYOGPON-UHFFFAOYSA-N 246.354 2.177 0 40 BEAB Cc1nn(C)c(C)c1CNC(=O)c1cccs1 41536004 QAWWROGEGOLXJU-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB COCCNC(=O)Nc1cc(Cl)ccc1F 43528335 QHYVLMXDJSXNDT-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB C[C@@H](O)[C@H]1CCCCN1Cc1ccccc1 69563257 GABUHJHKJGAPEA-TZMCWYRMSA-N 219.328 2.422 0 40 BEAB COCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 70245123 JHUMVLCDESMHEX-LLVKDONJSA-N 247.338 2.389 0 40 BEAB C[C@](CN)(c1cccs1)N1CCCC1 70453216 MFDGROLEJWSDAG-NSHDSACASA-N 210.346 2.018 0 40 BEAB CC[C@@H]1CN(Cc2ccno2)CCS1 72862050 RCUKMHFUOTYNNU-SNVBAGLBSA-N 212.318 2.002 0 40 BEAB O[C@@H](C[C@@H]1CCCCCN1)c1ccco1 75110614 LXUYRRUCGIREKG-QWRGUYRKSA-N 209.289 2.235 0 40 BEAB Cn1cc(-c2noc(Cc3cccs3)n2)cn1 78774285 QZDVFXRWOBPTFE-UHFFFAOYSA-N 246.295 2.122 0 40 BEAB Cc1ccc([C@H](C(=O)O)C2CCNCC2)cc1 82343110 ZWRRFURYYQEANN-ZDUSSCGKSA-N 233.311 2.163 0 40 BEAB NCc1cn(-c2ccc(F)c(Cl)c2)cn1 82540315 LRRVLHBXLJXYKK-UHFFFAOYSA-N 225.654 2.124 0 40 BEAB CCN(C)C(=O)Nc1cc(OC)ccc1F 88406380 QCNOBSGXIZGIIG-UHFFFAOYSA-N 226.251 2.318 0 40 BEAB CCN1CCC(CC2CCNCC2)CC1 95635379 RPFLUCYXXVLGBZ-UHFFFAOYSA-N 210.365 2.108 0 40 BEAB in-vitro Cn1cccc1[C@@H](O)c1ccc(F)c(F)c1 95727725 MPKKAVHGYRWYAU-LBPRGKRZSA-N 223.222 2.385 0 40 BEAB COc1cccnc1NCc1ccccn1 95978142 LSIHKCRMVZINQZ-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB COC[C@@H](C)Nc1ncnc2ccc(F)cc12 96453174 SJRTUFONTCVWMT-MRVPVSSYSA-N 235.262 2.216 0 40 BEAB Cc1ccc([C@@H]2OC(=N)C(O)=C2O)cc1 104239650 YZCADHGHZDWTOR-JTQLQIEISA-N 205.213 2.371 0 40 BEAB Cn1nc(OCC(F)(F)F)c2cc(N)ccc21 225770938 BSHOYIJUWJKAAP-UHFFFAOYSA-N 245.204 2.097 0 40 BEAB CC(=O)Nc1cc(Cl)c2nc(N)sc2c1 226308723 ZBZRNDJRJPGCKO-UHFFFAOYSA-N 241.703 2.490 0 40 BEAB O=C(c1ccncc1Br)C1CC1 252508165 XEWIQMOHSYFDAU-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB FCCn1ccc(CNCc2cccs2)n1 256050517 FILKSTKJJUKTMX-UHFFFAOYSA-N 239.319 2.204 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCc2cnoc2C1 575425862 YVXORRMSSSVGRM-SECBINFHSA-N 238.287 2.057 0 40 BEAB Cc1cccc(Nc2nccn3nccc23)n1 952964850 PPBSUDFCJOEHQX-UHFFFAOYSA-N 225.255 2.176 0 40 BEAB CSc1nc(C)cc(N2CC[C@H](CF)C2)n1 2086918788 DYGRBOWDLMVQGE-SECBINFHSA-N 241.335 2.303 0 40 BEAB O=C(CCc1ccccc1O)NCc1ccco1 342022 KAPKCJOJQYJVBZ-UHFFFAOYSA-N 245.278 2.234 0 40 BEAB CC(C)N(C(=O)c1cccnc1)C(C)C 394119 RHBRDTJXGNWOGY-UHFFFAOYSA-N 206.289 2.341 0 40 BEAB Cc1ccc(NC(=O)Cn2nc(C)cc2C)cc1 411807 VFTASNNRFPYDCQ-UHFFFAOYSA-N 243.310 2.447 0 40 BEAB COC(=O)[C@H](C)Oc1ccc(C)c(C)c1 1456866 VQMNXJAGDIIVIN-JTQLQIEISA-N 208.257 2.244 0 40 BEAB CCN1C(=O)/C(=C\c2ccccc2)N=C1C 1697695 OLIRXPPJQLDAPE-FMIVXFBMSA-N 214.268 2.308 0 40 BEAB CCOC(=O)[C@H](C)c1ccc(OC)cc1 1760582 GGWHMTMLIFDQOU-SECBINFHSA-N 208.257 2.362 0 40 BEAB CCOc1ccc(CCCC(=O)O)cc1 3046056 KIXYFWHNYCMRDM-UHFFFAOYSA-N 208.257 2.493 0 40 BEAB in-vitro O=C(O)C(=O)N(c1ccccc1)c1ccccc1 4532834 ICGPMBQSXZEPSW-UHFFFAOYSA-N 241.246 2.436 0 40 BEAB CCOP(=O)(OCC)[C@]1(C)CCC(=O)O1 5462841 DVACCKZPWJXNJS-SECBINFHSA-N 236.204 2.306 0 40 BEAB O=C1Nc2ncccc2O[C@H]1c1ccccc1 6750271 WCRBATJQPYIJHF-NSHDSACASA-N 226.235 2.154 0 40 BEAB CC(=O)[C@H](C)Sc1nc(C)nc2c1CCC2 12016885 SMHQUZUIJHWASL-QMMMGPOBSA-N 236.340 2.343 0 40 BEAB Nc1ccc(OCCN2CCCCC2)c(F)c1 14630637 GXKQERCLTFQFAM-UHFFFAOYSA-N 238.306 2.273 0 40 BEAB COCCN[C@@H](C)c1ccc(F)c(F)c1 19881613 ZNJHJUNMNLDFBW-QMMMGPOBSA-N 215.243 2.262 0 40 BEAB CCn1cc(CNCc2ccco2)c(C)n1 20351216 CSRZNRHCUZEJDA-UHFFFAOYSA-N 219.288 2.094 0 40 BEAB COc1ccc([C@H]2C[C@@H]2C(C)=O)c(OC)c1 20392302 XSDYVJPZXXGBHN-VXGBXAGGSA-N 220.268 2.396 0 40 BEAB O=C1C[C@@H](c2ccccc2C(F)(F)F)CN1 22005475 PTHNELFHDXCEGD-SSDOTTSWSA-N 229.201 2.309 0 40 BEAB COC[C@@H](N)c1cccc(C(F)(F)F)c1 23066178 BJJLLHRPTHUESQ-SECBINFHSA-N 219.206 2.352 0 40 BEAB in-vitro Fc1ccccc1CN1CCN2CCC[C@@H]2C1 23249543 ZMYXTWZSFMKFOV-CYBMUJFWSA-N 234.318 2.106 0 40 BEAB c1ccc2cc(CN3C[C@@H]4C[C@H]3CN4)ccc2c1 23292231 MUILKDXYEHGAER-HOTGVXAUSA-N 238.334 2.386 0 40 BEAB CCOC(=O)c1cn(C)cc1C(F)(F)F 32911372 VGVLPDQUSSTVGL-UHFFFAOYSA-N 221.178 2.221 0 40 BEAB Cn1c2ccccc2n2c(C(F)(F)F)nnc12 33373852 JJXTVKUCHJJCAV-UHFFFAOYSA-N 240.188 2.240 0 40 BEAB C/C(C(=O)O)=C(\C)C(=O)N[C@@H](C)c1ccccc1 33420917 VRGHGJHVODNOLL-JUDLJHIGSA-N 247.294 2.285 0 40 BEAB O=C(c1ccc(Cl)cc1)[C@H]1C[C@H]1C(=O)O 34214953 NHXPAMGWDIVOJR-DTWKUNHWSA-N 224.643 2.243 0 40 BEAB COC(=O)[C@](C)(N)c1ccc(Cl)c(Cl)c1 37459717 BYWKSTSGBJNLMJ-SNVBAGLBSA-N 248.109 2.340 0 40 BEAB biogenic,in-vitro O=C(COCc1ccccc1)Nc1cccnc1 40162100 VWMQGZZYVOZXSN-UHFFFAOYSA-N 242.278 2.237 0 40 BEAB CSc1nnnn1-c1ccc(C)cc1C 40456778 IANVZLVRMJSJPK-UHFFFAOYSA-N 220.301 2.001 0 40 BEAB CCc1ccc([C@H]2CN(C(C)=O)CCO2)cc1 41380449 JQQXORVDLAIKEZ-CQSZACIVSA-N 233.311 2.169 0 40 BEAB CN(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 47572592 GADNSEAYXLKYEV-UHFFFAOYSA-N 247.323 2.237 0 40 BEAB COc1ccc(C(=O)O)c(OCC2CC2)c1 48604819 FZYUINAKIFCAOL-UHFFFAOYSA-N 222.240 2.182 0 40 BEAB in-vitro CSCC(=O)N(C)Cc1ccccc1 50123447 XXJLEGYDCYFWLS-UHFFFAOYSA-N 209.314 2.008 0 40 BEAB O[C@H]1CCCC[C@@H]1N1Cc2ccccc2C1 50911827 SYBQYINEYVTRKR-KBPBESRZSA-N 217.312 2.306 0 40 BEAB CC(C)OC(=O)c1ccc2sc(N)nc2c1 57353848 YJPNZLVVDAEQTR-UHFFFAOYSA-N 236.296 2.444 0 40 BEAB Cn1cc(C(F)(F)F)cc(Cl)c1=O 57960555 YVNPFRDUUGSWRV-UHFFFAOYSA-N 211.570 2.058 0 40 BEAB O=C(O)c1[nH]ccc1-c1ccc([N+](=O)[O-])cc1 59637626 BQCHVYDUTQKMCF-UHFFFAOYSA-N 232.195 2.288 0 40 BEAB CCc1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2 72206884 WQLOYRZISLKGOB-UHFFFAOYSA-N 249.314 2.290 0 40 BEAB CC[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C 72208938 SANULBZYDGLPCY-VHSXEESVSA-N 231.336 2.307 0 40 BEAB COC(=O)n1cc(C=O)c2ccccc21 75603016 XHYLAFJBJCEOII-UHFFFAOYSA-N 203.197 2.068 0 40 BEAB Clc1ccn2c(Br)cnc2n1 82343854 FYWFJPNRYNRXPJ-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CC(C)c1nc(CCNC(=O)C2CC2)cs1 84630988 WQZFTFFQEHBDOD-UHFFFAOYSA-N 238.356 2.335 0 40 BEAB Cc1ccc(N[C@@H]2CCC[C@H](C(=O)O)C2)nc1 90676117 GNNGXKMWFKSETA-WDEREUQCSA-N 234.299 2.445 0 40 BEAB CC(C)N(C[C@H](C)O)C(=O)C1CCCCC1 95432289 ZXEHIIMRNADFIM-NSHDSACASA-N 227.348 2.185 0 40 BEAB Cc1nccc(C(=O)N(C)[C@H](C)CC(C)C)n1 95953125 BGTOAWIMOTYRRK-SNVBAGLBSA-N 235.331 2.292 0 40 BEAB OC[C@H]1CCC[C@H]1Nc1nc2ccccc2[nH]1 95977450 WNWDHPOQAAXGTN-NXEZZACHSA-N 231.299 2.136 0 40 BEAB C1CCC(CN2CC[C@@]23CCCNC3)C1 96050966 NUMRPODUOKMLBI-CYBMUJFWSA-N 208.349 2.005 0 40 BEAB c1ccc(C[C@@H]2NCC[C@H]2OCC2CC2)cc1 96261316 GXJCMOGWNQVPJH-LSDHHAIUSA-N 231.339 2.386 0 40 BEAB Cc1ccc(F)c(OCC(=O)c2cnn(C)c2)c1 96480815 IGGNGXPDUWTMEL-UHFFFAOYSA-N 248.257 2.129 0 40 BEAB CC(=O)O[C@@H]1[C@H]2SC[C@@H]3CC[C@@H]4C[C@@H]1[C@H]4[C@H]23 101043002 BONMBFVZKGKDFQ-QLHLUDRRSA-N 238.352 2.326 0 40 BEAB CCCC(=O)N[C@@H]1[C@H]2[C@@H]3C[C@H]4[C@H]5C[C@H]([C@@H]42)[C@]1(C)[C@H]53 104122369 PBKXDKBOHVPXKQ-RCHNPUFXSA-N 245.366 2.439 0 40 BEAB Cc1cc(N)c(C)c(Br)c1O 148172887 YDKWHCLUFOBYCO-UHFFFAOYSA-N 216.078 2.354 0 40 BEAB Cn1cnnc1CSCCC(C)(C)C 187510730 LQONUFAZEUAVEY-UHFFFAOYSA-N 213.350 2.485 0 40 BEAB CCNCC[C@H](CCO)c1ccccc1 217799397 MZDAUXSVJZKTDF-CYBMUJFWSA-N 207.317 2.152 0 40 BEAB CCOC(=O)c1sc(C)nc1OCC 218269716 VJFQUCBANHLRHO-UHFFFAOYSA-N 215.274 2.027 0 40 BEAB N[C@H]1CCCC[C@@H]1NCCc1ccccc1 218853360 MDLZPTBFVRHYHS-KBPBESRZSA-N 218.344 2.089 0 40 BEAB Cc1cc(F)ccc1N[C@H]1CCC[C@@H]1N 218881878 HLUPJSZLMCWPKH-JQWIXIFHSA-N 208.280 2.426 0 40 BEAB COc1cc(Br)n2cncc2c1 238456355 WVADXPZNIGIRML-UHFFFAOYSA-N 227.061 2.105 0 40 BEAB O=C(/C=C/c1ccco1)NCCCc1cnoc1 252480070 BUBJRDSGKYHGTL-AATRIKPKSA-N 246.266 2.030 0 40 BEAB CC(C)(N)c1cc(C(F)(F)F)ccn1 259368774 QJWPXEHMLMTEIV-UHFFFAOYSA-N 204.195 2.294 0 40 BEAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)NC(C)(C)C 585319535 FCIXIMOAOAMSCG-ZACCUICWSA-N 240.347 2.136 0 40 BEAB O=C(c1ncccn1)N1CCCc2ccccc21 735873360 KTPOJWFBNKQEHV-UHFFFAOYSA-N 239.278 2.070 0 40 BEAB CCCN(C)c1ccnc2ncccc12 872432198 VTKVRPRXAANBRW-UHFFFAOYSA-N 201.273 2.476 0 40 BEAB C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCO 953119858 VAYGHFNJQFTZJD-WDEREUQCSA-N 243.347 2.262 0 40 BEAB C[C@H](F)COB(OC[C@H](C)F)OC[C@@H](C)F 1083813044 YBWOBBPSKNMYOD-XHNCKOQMSA-N 242.046 2.095 0 40 BEAB CCCCCC[C@@H](O)[C@@H](C)CC(=O)NC 1857787644 YNOBDTRTSUIOMS-WDEREUQCSA-N 215.337 2.090 0 40 BEAB COC(=O)c1[nH]c2c(F)cccc2c1F 1857793413 BWCGHXJXZFYJOD-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB C[C@H](O)/C=C/c1ccc2ccccc2[n+]1C 47470 IUWUOTAPBHIDDL-DJYGCBNOSA-N 214.288 2.058 0 40 BEAB O=C(O)c1ccc(N2CCCCC2)cc1O 1608678 PLIPRDHVGDXKGC-UHFFFAOYSA-N 221.256 2.081 0 40 BEAB COc1ccc([C@@H](O)P(=O)(OC)OC)cc1 1676188 CZWPPMLDIAGXJH-JTQLQIEISA-N 246.199 2.172 0 40 BEAB CCOP(=O)(OCC)N1[C@H](C)[C@H]1C 1870259 SUZAKHPLQPCLTL-HTQZYQBOSA-N 207.210 2.260 0 40 BEAB Brc1ccccc1-n1cnnc1 2492279 LABLTPAPWLKQHB-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB CCC(CC)C(=O)Nc1ccc(C(N)=O)cc1 2774381 YDPIJUALBUJUOA-UHFFFAOYSA-N 234.299 2.160 0 40 BEAB O[C@H]1CNCC[C@@H]1c1cccc(C(F)(F)F)c1 3080602 GRVSNFYUBFPYMK-MNOVXSKESA-N 245.244 2.143 0 40 BEAB COC[C@@H](C)NC(=S)Nc1ccc(F)cc1 3274174 PLGIOLNDDGAAQN-MRVPVSSYSA-N 242.319 2.147 0 40 BEAB N=C(N)Cc1ccccc1C(F)(F)F 5066805 HTNUTJNKQPSODI-UHFFFAOYSA-N 202.179 2.184 0 40 BEAB in-vitro O=C1NC(=O)/C(=C/C=C/c2ccco2)S1 5477699 XKFYQGRJEQOFAV-ZWGQKFFPSA-N 221.237 2.160 0 40 BEAB CN(C)C(=O)Nc1ccc(O)c(Cl)c1 5957291 LCKMGLYSTXRASG-UHFFFAOYSA-N 214.652 2.139 0 40 BEAB Cc1ccc(NC(=O)NC[C@H](C)O)cc1Cl 6071237 RBKPCJJEFJPCTB-QMMMGPOBSA-N 242.706 2.151 0 40 BEAB CCOCCCNC(=O)c1ccc(C)cc1 6464168 KYDCFERRQCHCDN-UHFFFAOYSA-N 221.300 2.151 0 40 BEAB CCN(CC)C(=O)c1n[nH]c2ccccc12 12525534 CFASWLWXVQNNOX-UHFFFAOYSA-N 217.272 2.045 0 40 BEAB CC(C)NC(=S)Nc1ccc(Cl)cn1 13837971 NESIZYNLHVDFJQ-UHFFFAOYSA-N 229.736 2.430 0 40 BEAB Nc1cccc(OCC(=O)Nc2ccccc2)c1 19267448 UKKALNOCJIYBPA-UHFFFAOYSA-N 242.278 2.286 0 40 BEAB CC(C)(C)Sc1ccc(C(=N)N)cn1 19870347 NXVRNYNUYPIJQK-UHFFFAOYSA-N 209.318 2.256 0 40 BEAB in-vitro Nc1cc(N2CCCC2=O)ccc1Cl 21948252 HBHRGBJNYKUBGG-UHFFFAOYSA-N 210.664 2.049 0 40 BEAB in-vitro CCn1nccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 28575770 HIXPLQJMNKWAHQ-PHIMTYICSA-N 235.331 2.021 0 40 BEAB Cc1cc(N)nc(SCC(=O)C(C)(C)C)n1 31745556 GRPPKFKQCYTQGB-UHFFFAOYSA-N 239.344 2.075 0 40 BEAB COc1cccc2c1OC(C)(C)CC2=O 34068719 XPVAFZFSGRBVBN-UHFFFAOYSA-N 206.241 2.439 0 40 BEAB in-vitro COc1ccc([C@H]2C[C@@H]2[C@H](C)O)c(OC)c1 34702403 CULABQLGBWDNOG-XXILOJSOSA-N 222.284 2.188 0 40 BEAB COc1ncc(Br)c2ncccc12 35069463 UUDZGUZMINUMOY-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB CN(C)[C@H](CNC(=O)C(C)(C)C)c1ccco1 36078753 RSJWSBCWRQNZAV-SNVBAGLBSA-N 238.331 2.045 0 40 BEAB CCCCc1nc(C)c(CC(=O)O)s1 36221011 BKFQAYYXBLAQIM-UHFFFAOYSA-N 213.302 2.421 0 40 BEAB CC(C)C(=O)N(C)Cc1cccc(F)c1 36391910 CPSJZOAVKSWBGM-UHFFFAOYSA-N 209.264 2.440 0 40 BEAB Cc1n[nH]cc1CN[C@@H](C)Cc1ccco1 36994139 CUMNIKUSHNLWCL-VIFPVBQESA-N 219.288 2.032 0 40 BEAB CC(C)c1nccn1-c1cncc(Cl)n1 37066130 BVZFIUFUONGKFZ-UHFFFAOYSA-N 222.679 2.439 0 40 BEAB N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 37242163 QNJREWJCDASCTQ-QMMMGPOBSA-N 246.232 2.123 0 40 BEAB in-vitro C=CC(=O)N1CCC[C@H]1Cc1ccccc1 37829642 ACJDVVYODFZAAA-ZDUSSCGKSA-N 215.296 2.406 0 40 BEAB COC(=N)c1ccc(Br)cc1 37927984 HLEWKZFDAZECQR-UHFFFAOYSA-N 214.062 2.421 0 40 BEAB Cc1n[nH]cc1CNC[C@H]1CC=CCC1 37989231 VNPQHEZBRCPVKI-NSHDSACASA-N 205.305 2.164 0 40 BEAB c1ccc(-n2cc(-c3cn[nH]c3)cn2)cc1 39946613 OCSPSWTXSMEULF-UHFFFAOYSA-N 210.240 2.262 0 40 BEAB in-vitro CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 40506066 KATJHCVHUSMQPX-LBPRGKRZSA-N 225.332 2.204 0 40 BEAB CC[C@@H](c1cccs1)N1C(=O)C=CC1=O 49530969 JHFLTNOQQHFZSK-QMMMGPOBSA-N 221.281 2.124 0 40 BEAB COc1ccc(NC(=O)/C=C(\C)C2CC2)cn1 54860685 UDBHZGXRRYLQQW-VQHVLOKHSA-N 232.283 2.385 0 40 BEAB CC[C@H](OC)[C@H](NCc1ccccc1)C(C)=O 64219544 LQQHPKCCORAZML-UONOGXRCSA-N 235.327 2.159 0 40 BEAB Cc1nnc(C(Cl)(Cl)Cl)o1 68589905 DOQORJAFSVBZPF-UHFFFAOYSA-N 201.440 2.205 0 40 BEAB in-vitro Cc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1 69350171 KGJOHNSXOZOXDX-AWEZNQCLSA-N 246.354 2.048 0 40 BEAB Cc1cc([C@H]2CCCN2C)cnc1S 72218246 XNYOUKMMXOSSOY-SNVBAGLBSA-N 208.330 2.445 0 40 BEAB NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 72406712 XHMBCMXTJYWXHQ-RKDXNWHRSA-N 229.201 2.294 0 40 BEAB C[C@H](CNc1ccccn1)CC1(C)OCCO1 84637156 PVLKLSQOSBMMBF-NSHDSACASA-N 236.315 2.283 0 40 BEAB O=C(c1cscn1)N1C[C@H]2CCCC[C@@H]2C1 89764754 XBUZOZRFQBSRQR-NXEZZACHSA-N 236.340 2.405 0 40 BEAB C[C@@H](CC(=O)N1CCCCC1)n1cccc1 89894516 SIPMUTIUARHAIC-LBPRGKRZSA-N 220.316 2.452 0 40 BEAB COC(=O)c1cc(C2CC2)cnc1Cl 91351930 LYQIYWXYYOFZHD-UHFFFAOYSA-N 211.648 2.399 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC[C@H]1CC=CCC1 95434055 QXBYIUQPTPHDFP-BFHYXJOUSA-N 223.360 2.483 0 40 BEAB Cc1cccc(Oc2nn(C)cc2N)c1C 95836622 ICXILLHOJSHWLD-UHFFFAOYSA-N 217.272 2.411 0 40 BEAB COc1ccc2oc(CN[C@@H]3CCOC3)cc2c1 95978132 NUJIOZRODJPWEZ-LLVKDONJSA-N 247.294 2.320 0 40 BEAB O=Cc1cc2c(Br)cncc2[nH]1 96306845 RTJBKIWAYTZRDU-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB CCN1CC[C@@H](C(=O)O)c2ccccc21 96515734 ZULZHVINQXBEFF-SNVBAGLBSA-N 205.257 2.085 0 40 BEAB Cc1nn(C(C)(C)C)c(=O)n1C1CCCC1 97115035 AULNUIXLDBFAGR-UHFFFAOYSA-N 223.320 2.223 0 40 BEAB C[C@H](NC(=O)Nc1ccncn1)c1cccs1 194087114 LVFHVKOCFQDSMT-QMMMGPOBSA-N 248.311 2.421 0 40 BEAB O=C(O)[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 217037477 MLFMKEHMBCKEPZ-JOYOIKCWSA-N 238.670 2.465 0 40 BEAB COc1ccc(CN2CCN[C@H]3CCC[C@@H]32)cc1 225715707 PUTBBWFXENCFPK-GJZGRUSLSA-N 246.354 2.022 0 40 BEAB CC(=O)c1ccc(-c2cccc(F)c2)[nH]c1=O 225815520 ROSLNGFJGJQKTR-UHFFFAOYSA-N 231.226 2.384 0 40 BEAB CCOC(=O)c1cnc2c(Cl)cccn12 228915775 GEKUVXRPBHXCEA-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB FCCn1cc(CNCc2cccs2)cn1 256051482 JIDZWSGWGPUMRW-UHFFFAOYSA-N 239.319 2.204 0 40 BEAB COC(=O)c1c(F)cc2[nH]ccc2c1F 260286189 WHPYQCJUUNZAAE-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB Cc1c(C=O)c(Br)nn1C(C)C 408717485 CHRDPOOQQNRHKX-UHFFFAOYSA-N 231.093 2.347 0 40 BEAB Nc1cnc(OC(F)F)c2ccccc12 642887091 LDWMECNPCGUMLN-UHFFFAOYSA-N 210.183 2.418 0 40 BEAB CC(C)c1cccc(C(=O)NCCC(=O)O)c1 659119559 CBEIKMBFJQWFST-UHFFFAOYSA-N 235.283 2.015 0 40 BEAB CC(C)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 1615192288 OYXVUGZMYALLFS-GJZGRUSLSA-N 233.355 2.463 0 40 BEAB Cc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1 173061 AIVMGHCZMXTOIM-UHFFFAOYSA-N 239.278 2.331 0 40 BEAB COc1cccc(NC(=O)c2cnoc2C)c1 385180 LEFVGRUCCGIGMO-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB CCOC(=O)c1ccc(-c2cc(C)no2)[nH]1 387417 SVDRCCNWQAEOFZ-UHFFFAOYSA-N 220.228 2.155 0 40 BEAB CC(=O)O[C@@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2 1459286 HZJHUAKXMXQRMD-SOUVJXGZSA-N 245.322 2.037 0 40 BEAB N[C@H](Cc1ccc2ccccc2c1Cl)C(=O)O 1563356 PONNGHZRDCRUDO-LLVKDONJSA-N 249.697 2.448 0 40 BEAB COC(=O)Cc1c(C(C)=O)[nH]c2ccccc12 1714867 XONQDPORXQHZDH-UHFFFAOYSA-N 231.251 2.086 0 40 BEAB OCCCN[C@H](c1ccccc1)c1ccncc1 2382737 CWVFBNDARBEEFR-OAHLLOKOSA-N 242.322 2.143 0 40 BEAB CCC(CC)(NC(=O)OC(C)(C)C)C(=O)O 2389739 BYPQXUYSPTXBGE-UHFFFAOYSA-N 231.292 2.155 0 40 BEAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(N)=O 3469412 MFESCQZYBZCNLS-RXMQYKEDSA-N 234.082 2.246 0 40 BEAB Cc1ccc(CN2CCCC[C@H]2C(=O)O)cc1 3755319 OXDQBBXNNBILKU-ZDUSSCGKSA-N 233.311 2.434 0 40 BEAB O=C1CCCCCCCCC(=O)OCCO1 4015272 XFQHIELVPOKJIM-UHFFFAOYSA-N 228.288 2.207 0 40 BEAB CCCCCNC(=O)C(=O)Nc1ccc(C)cc1 5183961 SILPCOVLEYVWAK-UHFFFAOYSA-N 248.326 2.240 0 40 BEAB COc1ccccc1CC(=O)Nc1ccccn1 5335718 LYXKJCUHMJEFPW-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB CCc1ccc(S(=O)(=O)NCC(C)C)cc1 8447645 BXWYBSZNSQLBHN-UHFFFAOYSA-N 241.356 2.183 0 40 BEAB C[C@H](N)c1nc2ccccc2n1C(F)F 9738311 IIYRQEHOCIXDBN-LURJTMIESA-N 211.215 2.451 0 40 BEAB in-vitro CCN(CC)CC[C@@H](N)c1ccccc1 12357655 KSAIKFIIHCKXGT-CYBMUJFWSA-N 206.333 2.418 0 40 BEAB CC(C)NC(=S)Nc1ccc(N(C)C)cc1 13798800 FRKUTOFHEICFPU-UHFFFAOYSA-N 237.372 2.447 0 40 BEAB Cc1cccc(C)c1OC1CCNCC1 19504257 GIMDUKQMEPRHGE-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB in-vitro COc1ccc(N)cc1C(=O)N1CCC[C@@H](C)C1 20156016 YXNQBGAXGSMDAS-SNVBAGLBSA-N 248.326 2.150 0 40 BEAB CCC[C@H](C)CNCc1nnc2ccccn12 20185698 HVGPLWDEQRCVLL-NSHDSACASA-N 232.331 2.255 0 40 BEAB O=c1[nH]cnc(-c2ccccc2)c1Cl 25492688 GFFFUYKKESBZBJ-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB COc1ccc(NC(=O)CCC(C)C)cn1 27332090 DAMVGBCEPBDKHP-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB O=C(CCc1ccsc1)N1CCCC1 32721988 PFLZDJGOVORXGW-UHFFFAOYSA-N 209.314 2.303 0 40 BEAB CC[C@H](C)NC(=O)c1cn2c(C)cccc2n1 32873705 MGVODWSFIFOTDT-VIFPVBQESA-N 231.299 2.171 0 40 BEAB COc1ccc(O)c(C(=O)N2CCCCCC2)c1 32901342 DYLMKTPSMPDGCG-UHFFFAOYSA-N 249.310 2.417 0 40 BEAB C[C@@H](NC1CCCC1)c1nnc2ccccn12 35044248 XEDZJBKFMCTCPC-SNVBAGLBSA-N 230.315 2.323 0 40 BEAB NC(=S)c1ccc(Br)s1 36379600 DOMRYJIHWFBLBO-UHFFFAOYSA-N 222.132 2.145 0 40 BEAB in-vitro COc1ncccc1CNCc1ccccc1 37408054 JHVKWONZFVJUSU-UHFFFAOYSA-N 228.295 2.380 0 40 BEAB CC(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 37695102 MQZMQRPCNLHVND-UONOGXRCSA-N 249.310 2.327 0 40 BEAB Cc1ccc(N)c(C(=O)C(F)(F)F)c1 39055288 ATASQYGAUFQEEY-UHFFFAOYSA-N 203.163 2.322 0 40 BEAB CC(C)(C)OC(=O)Nc1ccc(N)nc1 39093445 JRGFHNRLNOKTEP-UHFFFAOYSA-N 209.249 2.011 0 40 BEAB C[C@@H](CO)[C@H]1CC[C@@H]2[C@H](O)CCC[C@@]21C 39118710 FUBPRYXDIHQLGH-ZOLYEBIHSA-N 212.333 2.192 0 40 BEAB COc1cccc(Cc2csc(N)n2)c1 41233999 YPORUQRPXPDBTO-UHFFFAOYSA-N 220.297 2.325 0 40 BEAB Cc1n[nH]c(-c2ccc(N)cc2Cl)n1 42417704 RHQWCQAZOXBOJJ-UHFFFAOYSA-N 208.652 2.016 0 40 BEAB in-vitro Cn1nc(C(F)(F)F)c2c1CCCC2 43463619 IRLJDHZZLLJTBR-UHFFFAOYSA-N 204.195 2.318 0 40 BEAB Cc1cc(C(=O)NC(C)C)nn1C(C)(C)C 44815735 KBRIKUYVGDDLRY-UHFFFAOYSA-N 223.320 2.085 0 40 BEAB CCOc1ccc2[nH]c(=O)cc(C)c2c1 45805628 IRJSBBPGUTUZLK-UHFFFAOYSA-N 203.241 2.235 0 40 BEAB CSc1nc2c(oc3ccccc32)c(=O)[nH]1 45918776 BGTDRUVYDOEVQF-UHFFFAOYSA-N 232.264 2.391 0 40 BEAB CCN(CC)Cc1nnc(C(C)(C)C)o1 46837954 FAMALBWTRBSOKK-UHFFFAOYSA-N 211.309 2.209 0 40 BEAB COCc1nc(-c2ccc(O)cc2O)cs1 49079315 YYPHUDJSCBPJAO-UHFFFAOYSA-N 237.280 2.368 0 40 BEAB Cc1cc(O)c(C(=O)O)c(C)c1Cl 52064474 DZXMXDWGXXSFSR-UHFFFAOYSA-N 200.621 2.361 0 40 BEAB CSCC[n+]1c(N)sc2ccccc21 61968163 QXKLGQHXJYYLRO-UHFFFAOYSA-O 225.362 2.134 0 40 BEAB CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2 65576435 KTRZLEMHGMXRAO-UHFFFAOYSA-N 247.298 2.103 0 40 BEAB Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)no1 69461068 HJPQRCRRMBMPCX-LLVKDONJSA-N 222.288 2.244 0 40 BEAB CC(=O)N[C@H](c1ccccc1)c1ccncc1 69463189 OMXIOAJKTUUBBI-CQSZACIVSA-N 226.279 2.307 0 40 BEAB CC(C)(N)c1ccc(C(F)(F)F)nc1 72194635 TYJYXZPYQLKPNY-UHFFFAOYSA-N 204.195 2.294 0 40 BEAB Cc1cn(-c2ccc(N)cc2F)c(C)n1 82655966 NODRTLLNLVEDFK-UHFFFAOYSA-N 205.236 2.210 0 40 BEAB NCc1ccc(C(=O)c2ccccc2)s1 90397616 HPXQVCUZDIIDSQ-UHFFFAOYSA-N 217.293 2.438 0 40 BEAB CC(C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 95452815 KZAXCDPWVPKTLY-NSHDSACASA-N 236.319 2.055 0 40 BEAB CCC[C@@H](C)CC(=O)OCc1cnns1 95461478 QHJNEBRHHGLIFP-MRVPVSSYSA-N 228.317 2.408 0 40 BEAB CN(C)c1cc(O)ccc1Br 95711817 OVRSKSJATHDPBH-UHFFFAOYSA-N 216.078 2.221 0 40 BEAB O=C(c1ccccc1Cl)N1CCCO1 97083465 DBDMCIOBQSRFGI-UHFFFAOYSA-N 211.648 2.118 0 40 BEAB C[C@@H](NC(=O)C1CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100212966 XUKIOVWVGJVCDC-CNVPUSNMSA-N 207.317 2.337 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CC(=O)O 100362742 HBQRMLMRLPXAGZ-LWINAJNOSA-N 210.273 2.103 0 40 BEAB O=C(O)[C@H]1CC[C@H](C2CCCCC2)NC1 107470186 NXAYXNDUQHLYJA-WDEREUQCSA-N 211.305 2.020 0 40 BEAB CC(C)OC(=O)OCC(F)(F)C(F)F 169795750 OVIKCIBOASSNLJ-UHFFFAOYSA-N 218.146 2.448 0 40 BEAB NCC[C@@H]1CCCc2c1ncn2CC1CC1 217783620 YRBSJIYCBZJFBO-NSHDSACASA-N 219.332 2.062 0 40 BEAB CCC[C@H](C)Nc1ccc(N)cc1C(=O)NC 225492388 UXAZTBQAHJREKH-VIFPVBQESA-N 235.331 2.229 0 40 BEAB C[C@H](N)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 242688572 VTBIATVXDXCNEC-XDTLVQLUSA-N 204.317 2.203 0 40 BEAB Cc1c(NCc2cccc(O)c2)cnn1CCF 256050769 GKYZJYBGUKAOAH-UHFFFAOYSA-N 249.289 2.479 0 40 BEAB Cc1ccncc1[C@](C)(O)C(F)(F)F 256054162 VEBBRGHYDOUWIA-QMMMGPOBSA-N 205.179 2.160 0 40 BEAB CC(C)N1CCC[C@@]1(C)c1ccnc2ccnn12 257279969 OIYCKMHRDOZGTN-AWEZNQCLSA-N 244.342 2.449 0 40 BEAB COc1cc(F)ccc1C(=O)C(F)F 306923851 HCEYFQBGCOEROE-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB COC(=O)c1ccnc(OC(C)C)c1Cl 725326225 ZWZIYBPYCUVRDU-UHFFFAOYSA-N 229.663 2.309 0 40 BEAB COC(=O)c1nccc(C(F)(F)F)c1C 1776011381 YEWKFAJXSDWGSK-UHFFFAOYSA-N 219.162 2.195 0 40 BEAB NC(=O)c1ccc(-c2cn3ccccc3n2)cc1 387410 NWGCVECXOLSHAD-UHFFFAOYSA-N 237.262 2.100 0 40 BEAB CCc1ccc(C(=O)CCN(C)C)cc1 2493469 MKFIKNCPWMNGBS-UHFFFAOYSA-N 205.301 2.383 0 40 BEAB C[C@H](NC(=O)C[C@@H](C)CC(=O)O)c1ccccc1 4690886 IFZUSRLWTZPENL-MNOVXSKESA-N 249.310 2.365 0 40 BEAB O=C1N=C2C=CC=CN2/C1=C/c1ccccc1 5584504 XCINZXBTHCXLPW-ZRDIBKRKSA-N 222.247 2.352 0 40 BEAB Cc1cccc(C(=O)/N=c2\sccn2C)c1 6335082 XJWRIBLKDCZZOT-SEYXRHQNSA-N 232.308 2.136 0 40 BEAB Cn1ccnc1[C@@H](O)c1ccccc1Cl 8709920 YKJDLUZWIWBUSF-JTQLQIEISA-N 222.675 2.155 0 40 BEAB CCSC(=N)NC(=O)c1ccccc1 12412552 DEBXRLHBRVGMMN-UHFFFAOYSA-N 208.286 2.104 0 40 BEAB CCCCNC(=O)c1cccc2cn[nH]c12 12859109 YVRLREPEOXTFLU-UHFFFAOYSA-N 217.272 2.093 0 40 BEAB CC(C)Sc1nc(=O)c2sccc2[nH]1 15986867 LVJKNCGAXLDSGQ-UHFFFAOYSA-N 226.326 2.485 0 40 BEAB Cc1nccc(-c2cnc3ccccc3n2)n1 16363376 YBIOCOZJEHQWAF-UHFFFAOYSA-N 222.251 2.395 0 40 BEAB Cc1c(C)c2ccc(N(C)C)cc2[nH]c1=O 17107412 YXCDTUCCNWBBPM-UHFFFAOYSA-N 216.284 2.211 0 40 BEAB C[C@H]1CN(c2ccc(C=O)cc2)C[C@@H](C)O1 20078937 OGVXOBJOPFDWIY-PHIMTYICSA-N 219.284 2.113 0 40 BEAB CCCn1ccc(NCc2cn(CC)nc2C)n1 20350966 RARJHFXHSBMXEK-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB COC(=O)c1cccc(Cn2cccc2C=O)c1 20447586 XXWRZOLDDPOHIM-UHFFFAOYSA-N 243.262 2.136 0 40 BEAB C[C@@H](CO)Nc1ncnc2c1oc1ccccc12 32809700 YDRQWQWOOYKRQR-QMMMGPOBSA-N 243.266 2.169 0 40 BEAB O=C(O)CN(Cc1ccc(Cl)cc1)C1CC1 33468815 WPBUITSIBYVJJL-UHFFFAOYSA-N 239.702 2.389 0 40 BEAB COc1ccc(-n2cccc2C(=O)O)cc1 35431496 UBHHVSDRGLWQKG-UHFFFAOYSA-N 217.224 2.184 0 40 BEAB CCc1cccc(C)c1NC(=O)NCCOC 36179387 HXRNNWOPPAXLDO-UHFFFAOYSA-N 236.315 2.325 0 40 BEAB Cn1ccc(NCCc2ccccc2)n1 37471795 QBLMMPYEYXBEPU-UHFFFAOYSA-N 201.273 2.075 0 40 BEAB CC(C)(C)OC(=O)Nc1cncc(Cl)n1 38313462 CFNQQJOHQAKFCF-UHFFFAOYSA-N 229.667 2.477 0 40 BEAB CC(C)Sc1nncn1Cc1ccco1 40480308 IULMRHAQWYHAET-UHFFFAOYSA-N 223.301 2.420 0 40 BEAB O=Cc1cc(F)ccc1OCCN1CCCC1 40541783 QRVLAHXXRZIEAQ-UHFFFAOYSA-N 237.274 2.113 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2cccnc2)cn1 41976386 GVEKZARXBWZEQZ-LLVKDONJSA-N 241.294 2.276 0 40 BEAB CC[C@@H](C)[C@H](C)Nc1ncnc2c1cnn2C 42417216 VRGQQBLIBHVYMT-BDAKNGLRSA-N 233.319 2.210 0 40 BEAB Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2 44136884 YXNOCWXSPOTSLB-UHFFFAOYSA-N 235.287 2.036 0 40 BEAB NCCc1ccc(O[C@@H]2CCCCO2)cc1 44371782 IKOLRHUUOFOGAM-CYBMUJFWSA-N 221.300 2.093 0 40 BEAB CCCc1noc([C@@H](C)N2CCCC2)n1 44583626 AKNUTJWSARITSS-SECBINFHSA-N 209.293 2.179 0 40 BEAB CCCCNCc1cnc(SC)nc1 62717203 RTPGHGWUBMTNCV-UHFFFAOYSA-N 211.334 2.088 0 40 BEAB Cc1cc(OCC(=O)O)c2cc(F)cc(C)c2n1 64874770 LQACWYYNBGGYAV-UHFFFAOYSA-N 249.241 2.454 0 40 BEAB C[C@@H](NCc1ccccn1)[C@@H](C)n1cccn1 69349732 MDHZUNCTCSGVSG-VXGBXAGGSA-N 230.315 2.017 0 40 BEAB CC(C)[C@H](C)CC(=O)Nc1ncccc1O 69369004 KDGRIDAMZGUNIO-SECBINFHSA-N 222.288 2.408 0 40 BEAB Brc1ccc2cccc[n+]2c1 71255666 DGVYRHQJSBKEKF-UHFFFAOYSA-N 209.066 2.188 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC12CCNCC2 71373383 MWGPVHPVWMHJMP-JTQLQIEISA-N 240.347 2.043 0 40 BEAB CCN1CCCC[C@H]1c1ccc(N)nc1 72212377 JXUSSEFDMWGBEN-NSHDSACASA-N 205.305 2.211 0 40 BEAB COc1cccc(F)c1[C@H](O)C(F)(F)F 84933499 PJCOTFDJDCLVEU-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CC[C@@H](O)c1cncc(Br)c1 87265854 OUGKOCFYIYKUDJ-MRVPVSSYSA-N 216.078 2.288 0 40 BEAB COC(=O)c1snc(-c2ccccc2C)c1N 88645795 XTVHCCQSRGQEQU-UHFFFAOYSA-N 248.307 2.487 0 40 BEAB in-vitro Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)c(C)c1 89612087 HEFOIPFXMMPPML-ZDUSSCGKSA-N 246.354 2.080 0 40 BEAB CC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 91326459 CVUXHPYQLPJFMM-UHFFFAOYSA-N 249.310 2.278 0 40 BEAB c1ccc(-c2nnc(S[C@H]3CCNC3)o2)cc1 95908585 LVMDRCDQDAJECE-JTQLQIEISA-N 247.323 2.191 0 40 BEAB C[C@H](NC(=O)/C=C/c1ccncn1)C(C)(C)C 95993669 UXDMRENBORVVFP-PORFMDCZSA-N 233.315 2.041 0 40 BEAB COC(=O)c1cc(C)cc(Br)c1O 96334319 ABFJFGPUBLCJSL-UHFFFAOYSA-N 245.072 2.250 0 40 BEAB CCc1nc(CC)n(Cc2c(C)noc2C)n1 96448188 DKZPHYWGGKANSE-UHFFFAOYSA-N 234.303 2.056 0 40 BEAB COc1c(C=O)ccc(Br)c1F 98210685 PYWGJFVEOGVKSP-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB CCN(CC)CCN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 101158772 CICDOJLASYRIJX-ZQDZILKHSA-N 234.387 2.082 0 40 BEAB Cc1ccc(O[C@@H]2CCCC[C@H]2N)nc1 136469766 ZCMJAUNJEQHREP-GHMZBOCLSA-N 206.289 2.039 0 40 BEAB CO[C@H]1CN=C(Nc2ccccc2)S1 147997946 HPMPEHVQMGKPGC-SECBINFHSA-N 208.286 2.174 0 40 BEAB Cc1occc1SCc1ncnn1C 186673764 MTEKSPXULPFMFH-UHFFFAOYSA-N 209.274 2.009 0 40 BEAB COc1cc(C(C)=O)c(C(F)(F)F)cc1N 199544619 ZOOFKGJOKUHNDZ-UHFFFAOYSA-N 233.189 2.499 0 40 BEAB CC(C)(C)Nc1ccc(N)cc1C(=O)NC1CC1 225454866 YPKKOCDXTGLYPX-UHFFFAOYSA-N 247.342 2.371 0 40 BEAB CC(C)Oc1ncc(Br)cc1C=O 238165246 CMWRVIVXEQHYPE-UHFFFAOYSA-N 244.088 2.444 0 40 BEAB in-vitro CC[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257275287 NORHUKVNGTXTIF-WUHRBBMRSA-N 225.332 2.249 0 40 BEAB CCn1nc(N)cc1COc1ccc(OC)cc1 257961883 UOJKRRHBPZBSEF-UHFFFAOYSA-N 247.298 2.073 0 40 BEAB CC(C)(C)OC(=O)N1CC2=C(C[C@@H](N)CC2)C1 261507443 IQMHYPCTPALKTD-NSHDSACASA-N 238.331 2.045 0 40 BEAB COCC[C@H](NC1CSC1)C(C)(C)C 308516633 MZHMKDAKUSQPFB-JTQLQIEISA-N 217.378 2.143 0 40 BEAB Cc1csc(OC[C@H]2CCCCO2)n1 585652630 QNIUVRQKFBOSHC-SECBINFHSA-N 213.302 2.399 0 40 BEAB O[C@@H](c1ccncc1Cl)C(F)(F)F 606281368 NWEJDUWNDSLWIE-LURJTMIESA-N 211.570 2.331 0 40 BEAB CCOC(=O)C(C=C(C)C)(CC)C(=O)OCC 1600402 BGWAMLPAYCKDDR-UHFFFAOYSA-N 242.315 2.475 0 40 BEAB CCCC(CCC)(C(=O)O)C(=O)OCC 2154939 OYYXBAKKOYXBES-UHFFFAOYSA-N 216.277 2.221 0 40 BEAB CCOC(=O)c1cc2c(C(=O)OC)cccc2[nH]1 2384088 FQDHGBXAWBUTQW-UHFFFAOYSA-N 247.250 2.131 0 40 BEAB Cc1ccc(C(=O)Nc2ncccn2)cc1 3212887 GMSNSHDPNFPILW-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CN1CCC[C@@H](OC(=O)C2CCCCC2)C1 3258764 UZUUCVGAOBUJHO-GFCCVEGCSA-N 225.332 2.204 0 40 BEAB CCOc1ccc(/C=C2\SC(=N)NC2=O)cc1 4784574 SPTUNPUQTVRNHF-YFHOEESVSA-N 248.307 2.224 0 40 BEAB Cc1ccc(C)c2nc(O)c(C(=O)O)cc12 5445984 PVFIKLJONAIIAD-UHFFFAOYSA-N 217.224 2.255 0 40 BEAB CC(C)C(=O)Nc1nonc1-c1cccs1 5487030 HVRJYNNKWUHTJE-UHFFFAOYSA-N 237.284 2.393 0 40 BEAB Cc1cccc(NC(=O)[C@H]2CCCO2)c1 5755561 MGUKYJNVUXCTSZ-LLVKDONJSA-N 205.257 2.113 0 40 BEAB COC(=O)c1cccc(Cn2nc(C)cc2C)c1 6189282 YNUYBDGRXGCBDA-UHFFFAOYSA-N 244.294 2.335 0 40 BEAB Cc1cc2ccccc2n1CC(=O)NC1CC1 7848806 DJQYVAIPSJQJQS-UHFFFAOYSA-N 228.295 2.228 0 40 BEAB Cc1n[nH]c2c1C(=O)C[C@@H](c1ccccc1O)C2 8021500 DQRSTOQAGYEZJT-VIFPVBQESA-N 242.278 2.336 0 40 BEAB COC(=O)c1cc2c(C)cccc2n1C 8415507 DWEJZKONIFQYPG-UHFFFAOYSA-N 203.241 2.273 0 40 BEAB O=C(COC(=O)c1ccccn1)c1ccccc1 9261865 UQGMVQWMNYXAOM-UHFFFAOYSA-N 241.246 2.121 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(O)c(C(=O)O)c1 11639041 DVGODGAOZAOWEQ-UHFFFAOYSA-N 237.255 2.075 0 40 BEAB Clc1ccccc1O[C@H]1CCCNC1 12359893 PCMSYMYPZAQMON-VIFPVBQESA-N 211.692 2.471 0 40 BEAB in-vitro Cc1cc(NC(=O)/C=C/c2ccccc2)n(C)n1 12443964 LCRZSUDXXSVHRJ-CMDGGOBGSA-N 241.294 2.380 0 40 BEAB CCCNC(=O)c1cnn(Cc2ccccc2)c1 16639888 WXOVESODRHTSKV-UHFFFAOYSA-N 243.310 2.071 0 40 BEAB CNCCN1CCC(Cc2ccccc2)CC1 19366968 OVCOWLKXRNBYMI-UHFFFAOYSA-N 232.371 2.161 0 40 BEAB c1cc(CN2CCC[C@H](N3CCCC3)C2)ccn1 19745427 NZCRLRPXCKVHIJ-HNNXBMFYSA-N 245.370 2.142 0 40 BEAB Cc1nc(N2CCC(C)CC2)sc1C(=O)O 20156569 DBUDZPCTPQCYGI-UHFFFAOYSA-N 240.328 2.386 0 40 BEAB Cc1cc(N)c(NC(=O)C2CC2)cc1C 20157590 GPKAIEDXGBZAEY-UHFFFAOYSA-N 204.273 2.234 0 40 BEAB CN(C)c1ccc(N)c(C(F)(F)F)c1 20283709 VRPUKJBVBYRCNY-UHFFFAOYSA-N 204.195 2.354 0 40 BEAB in-vitro Cc1oc(C)c(C(=O)Nc2nncs2)c1C 21216385 HTKNWCOCFHSSRM-UHFFFAOYSA-N 237.284 2.309 0 40 BEAB CC(C)c1nc2c3ccccc3nc(O)n2n1 32628491 YHVWWFFZNOCKSI-UHFFFAOYSA-N 228.255 2.107 0 40 BEAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)s1 32865172 FUFYMAWEXNDWQW-QMMMGPOBSA-N 239.340 2.226 0 40 BEAB Nc1ccc(F)cc1-c1nnc2n1CCCCC2 34962140 LAKDNYXLOMMWNW-UHFFFAOYSA-N 246.289 2.393 0 40 BEAB Cc1cc(C)cc(C(=O)Nc2cn[nH]c2)c1 35237579 HKGDLYONPFBRHY-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB O=C(Nc1cn[nH]c1)Nc1ccccc1F 35238493 AOWVIVPTWUKCIH-UHFFFAOYSA-N 220.207 2.193 0 40 BEAB c1cnc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1 35442892 XONIZWQHVCVEED-JTQLQIEISA-N 242.326 2.300 0 40 BEAB biogenic,in-vitro COCC(=O)c1cc(C)c(OC)cc1C 36200431 SUPIXEQFSVRHKC-UHFFFAOYSA-N 208.257 2.141 0 40 BEAB COc1ccccc1-c1nc(CN)cs1 40414601 KHQIHGXGSYZUBV-UHFFFAOYSA-N 220.297 2.277 0 40 BEAB COCCCNC(=O)Nc1ccc(F)c(F)c1 40525899 OBVRCYBTRULCRR-UHFFFAOYSA-N 244.241 2.123 0 40 BEAB Nc1cc(F)c(OC2CCOCC2)c(F)c1 40887198 GHGRKCJUTJKKQD-UHFFFAOYSA-N 229.226 2.105 0 40 BEAB O=C(NCc1ccc[nH]1)C1CCCCC1 41533613 SBVPPACFCSTOKS-UHFFFAOYSA-N 206.289 2.211 0 40 BEAB CCOC(=O)CCCCO[C@@H]1CCCCO1 43503669 SMCMIBRXVPZUNM-LBPRGKRZSA-N 230.304 2.263 0 40 BEAB COc1cccc(CCNC(=O)CC(C)C)c1 48298654 DNAUUQUMDFUJNZ-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB CCOc1ccccc1[C@@H](C)N[C@@H](C)C(=O)O 49354285 JWIDPYZBSDOXSI-ZJUUUORDSA-N 237.299 2.209 0 40 BEAB COc1ccc([C@H]2CCC(=O)O2)cc1F 49814727 NUBOBWVJTYHWFN-SECBINFHSA-N 210.204 2.212 0 40 BEAB CCOc1ccccc1CNC(=O)C1CC1 53163103 MDYYUXFRRPBDGZ-UHFFFAOYSA-N 219.284 2.112 0 40 BEAB C[C@H]1CNCCN1Cc1c(F)cccc1Cl 54373013 FJPPQWSCJPFFFT-VIFPVBQESA-N 242.725 2.273 0 40 BEAB Cc1cc(Cl)ccc1C[C@@H](C(=O)O)N(C)C 57533804 VJLPQUVZPPRZOZ-NSHDSACASA-N 241.718 2.206 0 40 BEAB CCN(CC)c1ccc(CCCO)cc1 58002172 ZVMVRPHEQWLRBP-UHFFFAOYSA-N 207.317 2.458 0 40 BEAB CCc1cc(CC)c(S(N)(=O)=O)c(CC)c1 59566074 ZSXPCHZVLVJYPC-UHFFFAOYSA-N 241.356 2.021 0 40 BEAB O=C(O)[C@@H]1O[C@H]1c1ccc(C(F)(F)F)cc1 62711010 ZDLLJVUVFZWVIE-JGVFFNPUSA-N 232.157 2.230 0 40 BEAB c1ccc2c(COC3CNC3)cccc2c1 62809883 UAXOQORTZLHHQG-UHFFFAOYSA-N 213.280 2.328 0 40 BEAB in-vitro CC(=O)CSCc1noc(C(C)C)n1 81273678 MVYSPNYKNUCOHP-UHFFFAOYSA-N 214.290 2.015 0 40 BEAB COc1cc(OC)cc([C@H]2CCN(C(C)=O)C2)c1 81639868 WNWYOFKYXILIED-NSHDSACASA-N 249.310 2.040 0 40 BEAB O=C(O)C1(c2ccc(F)c(F)c2)CCC1 82964581 WTMPBGKYNWHYRN-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1 90557580 DEYSRYSDNZTANC-NSHDSACASA-N 244.260 2.023 0 40 BEAB c1cncc(CN2CCC[C@@H]2c2ncc[nH]2)c1 95459762 GGGZQZOJWWTRAB-GFCCVEGCSA-N 228.299 2.142 0 40 BEAB COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@H]1N 95917828 HLIZYJUVYJDBSG-UHIISALHSA-N 217.312 2.147 0 40 BEAB NC(=S)c1cscc1Br 95930198 ICXPIQFLOXBPOO-UHFFFAOYSA-N 222.132 2.145 0 40 BEAB CCC(=O)N1CCC2(CC1)CNc1ccccc12 96078765 ASTKJKBXELWBMM-UHFFFAOYSA-N 244.338 2.382 0 40 BEAB C[C@@H](CCn1cccn1)OC(=O)c1ccoc1 97050251 DPEUQRGCEQSEND-JTQLQIEISA-N 234.255 2.112 0 40 BEAB C[C@@H]1CN(Cc2ccn(C)c2)C(C)(C)CO1 97139438 HJDLHGHHYOAFAH-LLVKDONJSA-N 222.332 2.024 0 40 BEAB c1coc(CSCCC2OCCO2)c1 97148206 KLLJTMIECNOCEZ-UHFFFAOYSA-N 214.286 2.276 0 40 BEAB CCCCOC(=O)C1=C[C@@H](O)Nc2ccccc21 98181619 WRTRXDOLGDGZDZ-CYBMUJFWSA-N 247.294 2.157 0 40 BEAB CN1[C@H]2CCC[C@@]1(NC(=O)OC(C)(C)C)CC2 100069427 GLOZKDHHBFHACD-GWCFXTLKSA-N 240.347 2.486 0 40 BEAB C[C@H]1NC[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 109325003 JVNQIVFIOMMCFT-BPLDGKMQSA-N 230.355 2.116 0 40 BEAB CCOC(=O)[C@@H](CC)SC[C@@H]1CCN(C)C1 194542847 ULEQCGSQZDXPRV-GHMZBOCLSA-N 245.388 2.013 0 40 BEAB COC(=O)c1cccn1-c1ccccc1OC 223735411 YABWDBYUSRZMPI-UHFFFAOYSA-N 231.251 2.273 0 40 BEAB CCNC(=S)Nc1ccc(Cl)c(C)n1 223866469 QWIPNJZPFRMEDM-UHFFFAOYSA-N 229.736 2.350 0 40 BEAB C[C@H](C(=O)O)N(C)c1ccccc1Cl 224987416 LEJLGTVSDILHLP-SSDOTTSWSA-N 213.664 2.249 0 40 BEAB C[C@H](O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1 225278031 AEPMKZIOUKHDOO-SDDRHHMPSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro N[C@@H](CC(=O)O)c1ccc(-c2ccncc2)cc1 228952586 JMFLDVFWDYGUIQ-ZDUSSCGKSA-N 242.278 2.223 0 40 BEAB CCCC[C@H](C)C(=O)Nc1cc(C)n(C)n1 252510547 ZNNHGYQTYRVBIG-VIFPVBQESA-N 223.320 2.493 0 40 BEAB CC[C@@H](C(=O)O)n1nc(C(F)F)cc1C 408717342 YPUSQWRTDQDIQW-ZETCQYMHSA-N 218.203 2.165 0 40 BEAB CC(=O)OCC(=O)c1ccccc1C(F)(F)F 575359180 WTESAJWDPXFDML-UHFFFAOYSA-N 246.184 2.451 0 40 BEAB Fc1ccc(Cn2cc(C3CC3)nn2)c(F)c1 585362108 YIDHWBUOHBMZKW-UHFFFAOYSA-N 235.237 2.482 0 40 BEAB Brc1cccc2c1COCCO2 675082879 YSXQXEJFGFPFEF-UHFFFAOYSA-N 229.073 2.358 0 40 BEAB CCOC(=O)C[C@@H](C)n1ccc(C(F)F)n1 685936616 KZKWKEGNZPRSEO-SSDOTTSWSA-N 232.230 2.335 0 40 BEAB C[C@]1(O)CC[C@@H](NC(=O)OCc2ccccc2)C1 1857794760 QVJNWIGBKYIEKS-OCCSQVGLSA-N 249.310 2.216 0 40 BEAB CC(=O)Nc1nc2cc(N)c(C)cc2s1 194572 MWDDWTJSGDSJSA-UHFFFAOYSA-N 221.285 2.145 0 40 BEAB CCOC(=O)[C@@](C)(Br)CC 1679943 ALHOFXQMBUWICK-ZETCQYMHSA-N 209.083 2.113 0 40 BEAB NC(=O)NC(=O)Oc1cccc2ccccc12 1747631 WXXGKOWPGNVNBD-UHFFFAOYSA-N 230.223 2.007 0 40 BEAB N=C(N)COc1ccc(Cl)c(Cl)c1 3165143 GJGJUWHCXCEHPE-UHFFFAOYSA-N 219.071 2.308 0 40 BEAB O=C(OCc1ccccc1)c1ccncc1 3251016 VXDBNGYOQMIPAT-UHFFFAOYSA-N 213.236 2.439 0 40 BEAB CC1(C)O[C@]2(C)CC[C@H]1C(=O)OC2(C)C 3845847 VDPXXZOIXVYKMK-QPUJVOFHSA-N 212.289 2.286 0 40 BEAB O[C@@H]1[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCCC1 5816931 JFIGMNBDLSGWHQ-RFGFWPKPSA-N 223.360 2.412 0 40 BEAB NCc1ccc(N2CCCCCC2=O)cc1 6863252 KZXBTGKDVTXACG-UHFFFAOYSA-N 218.300 2.052 0 40 BEAB N[C@H]1CCCC[C@H]1OCc1ccccc1 6864217 NTHNRYLIXJZHRZ-QWHCGFSZSA-N 205.301 2.473 0 40 BEAB Cc1cccc(C(=O)OCC(=O)C(C)(C)C)c1N 7185642 DOQBHARAOAJYFF-UHFFFAOYSA-N 249.310 2.349 0 40 BEAB CCN(C(=O)[C@@H](N)CC(C)C)c1ccccc1 11961129 OPTVMEJGPBMISG-ZDUSSCGKSA-N 234.343 2.413 0 40 BEAB O=C(/C=C/c1ccccc1)OC[C@@H]1CCCO1 14018380 QCMSQCLNALBZOD-XEHSLEBBSA-N 232.279 2.422 0 40 BEAB endogenous,in-man CCCCC/C=C(/C(=O)O)[C@H](C)C(=O)O 14439136 YTUQECDNJQCQAE-INTFFVIUSA-N 214.261 2.298 0 40 BEAB biogenic,in-vitro COC[C@@H](C)NC(=S)Nc1ccccc1 16211753 WBFJFZZBHFQHMZ-SECBINFHSA-N 224.329 2.008 0 40 BEAB Cc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 18154517 NNYVLLMUHSKINZ-BETUJISGSA-N 241.290 2.451 0 40 BEAB CC(=O)CC(=O)N(C)Cc1ccccc1Cl 19409250 YZNLWPKFBLUTMR-UHFFFAOYSA-N 239.702 2.278 0 40 BEAB O=C(NCCc1cccs1)c1ccccc1O 19839735 LJCGBHHWGYNISY-UHFFFAOYSA-N 247.319 2.426 0 40 BEAB COc1ccccc1CNc1cc(C)n(C)n1 20350327 ZCMNKOJMZRDXEN-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CC(C)c1ccc(Nc2ncnc(N)n2)cc1 20550349 LKCZUSRHPRZTED-UHFFFAOYSA-N 229.287 2.321 0 40 BEAB O=C(NCCc1ccccc1)c1cncs1 22073166 KCHXMZDJMSCWHQ-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB NCc1cccnc1Oc1cccc(F)c1 22171857 ZJSHMOYHXMKXDG-UHFFFAOYSA-N 218.231 2.472 0 40 BEAB in-vitro COC(=O)c1sccc1NC(=O)C=C(C)C 22833470 BJMTYBMOZRPADP-UHFFFAOYSA-N 239.296 2.439 0 40 BEAB CCOc1cccc(NC(=O)C2CCNCC2)c1 32103681 BCHDKNPUIUJYQT-UHFFFAOYSA-N 248.326 2.023 0 40 BEAB Cc1cccc(OCCNC(=O)NC(C)C)c1 32862594 LPUAZHDKTJXJBT-UHFFFAOYSA-N 236.315 2.081 0 40 BEAB Cc1nn(C)c(C)c1C(=O)NCC1CCCCC1 32903807 LXZDUXARLMDUOE-UHFFFAOYSA-N 249.358 2.347 0 40 BEAB Cc1cccc(C(=O)N[C@H](C)Cc2ccco2)n1 33209411 KATVJXMYPROLEC-LLVKDONJSA-N 244.294 2.344 0 40 BEAB O=C(/C=C\c1ccccc1)OC[C@H]1CCCO1 33564709 QCMSQCLNALBZOD-LJTDUEICSA-N 232.279 2.422 0 40 BEAB CC(C)C[C@H]1C(=O)NCCN1Cc1ccccc1 34079061 KZUHOWKEJQQSOL-AWEZNQCLSA-N 246.354 2.033 0 40 BEAB CC(C)Cc1n[nH]c(C(=O)O)c1Br 34543195 MKXAFJVHUHMBSO-UHFFFAOYSA-N 247.092 2.069 0 40 BEAB Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 35696911 PXUUTRRMFPULDM-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB in-vitro O=Cc1ccc(C(=O)C(F)(F)F)cc1 36533780 QZIUSAUIKVMLEX-UHFFFAOYSA-N 202.131 2.244 0 40 BEAB in-vitro O=C(O)Cc1csc(C2CCCC2)n1 37756483 RELITADUORNXHA-UHFFFAOYSA-N 211.286 2.428 0 40 BEAB C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 40635420 BOUIDUCSDPPCPV-NSHDSACASA-N 235.283 2.044 0 40 BEAB CNc1ncc(Br)cc1C 42783835 QTBNIBCNVQMGPP-UHFFFAOYSA-N 201.067 2.194 0 40 BEAB in-vitro CN(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44976610 MVRNCZJEDAJLJR-HTQZYQBOSA-N 223.238 2.443 0 40 BEAB Cc1cc(N)cc(Br)c1N(C)C 45958860 HUYOUEZINSUKBP-UHFFFAOYSA-N 229.121 2.406 0 40 BEAB Cc1ccc(C(=O)Nc2cnn(C)c2)cc1F 46406409 WTCHHFNMLAOQHN-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CC(=O)Nc1nc2cc(Cl)ccc2n1C 49497060 PZAOWSTYIPPHFZ-UHFFFAOYSA-N 223.663 2.185 0 40 BEAB c1ccc(-c2noc(C[C@@H]3CCCNC3)n2)cc1 54301261 FPOUMQNXWJUHPW-NSHDSACASA-N 243.310 2.279 0 40 BEAB Cn1cccc1C(=O)N[C@H]1C[C@H]1c1ccccc1 67502787 ZWVWZXPQMQQUBT-STQMWFEESA-N 240.306 2.311 0 40 BEAB CO[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1 69456200 PZHQAJBZYMSLEE-NSHDSACASA-N 244.294 2.451 0 40 BEAB CCCN1CCC[C@H]1Cn1nc(C)cc1C 69919347 CYMWIJXMRZGYJY-ZDUSSCGKSA-N 221.348 2.374 0 40 BEAB CC(=O)N1CCC[C@H]1c1cnc(N(C)C)c(C)c1 72218613 XDEJSNXRFFOUDJ-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB c1cc(NC2CCOCC2)nc([C@H]2CCCN2)c1 72386967 FUBDYPWKSNJSKG-GFCCVEGCSA-N 247.342 2.097 0 40 BEAB Cc1cnc(C(F)(F)F)c(C(=O)O)c1 74204271 CYWVURUPVFCNBP-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(N)=O 77538746 PVGVEMIKXIVFLG-SCZZXKLOSA-N 222.263 2.082 0 40 BEAB CCCn1c(C(C)=O)cc(C(=O)O)c1CC 78404557 BVZPFUPMXHYSLR-UHFFFAOYSA-N 223.272 2.361 0 40 BEAB CC(C)(C)N(C=O)[C@H]1C[C@H]2CCCC[C@H]2CN1 79890369 OYSOEADLBFGGKM-AGIUHOORSA-N 238.375 2.369 0 40 BEAB O=Cc1ccc(OCCC2OCCCO2)cc1 89064396 SLHCNLOZEYKBIX-UHFFFAOYSA-N 236.267 2.031 0 40 BEAB Cc1ccc(C)c(-c2noc(C=O)n2)c1 89262067 PTFIKCAJKXRHOL-UHFFFAOYSA-N 202.213 2.166 0 40 BEAB Cc1cc(F)cc(C(=O)CCC(=O)O)c1 95634348 WFYMWLOVFNKIFP-UHFFFAOYSA-N 210.204 2.182 0 40 BEAB Cc1ccc(CN[C@H]2CCO[C@@H]2C)cc1 96033516 UXKPGMDJYATICD-YPMHNXCESA-N 205.301 2.262 0 40 BEAB CC[C@H](C)N(C)CCNC(=O)N(C)[C@H](C)CC 107320410 GNAIUIWBOFSJLF-NWDGAFQWSA-N 243.395 2.157 0 40 BEAB O=C1CCC(=O)C1=NNc1cccc(Cl)c1 107821015 NBMDKHVVZGDJDT-UHFFFAOYSA-N 236.658 2.040 0 40 BEAB CCOC[C@@H](C(=O)OCC)C(C)(C)C 114652001 DSZILDZTMGVOMV-VIFPVBQESA-N 202.294 2.248 0 40 BEAB Cc1sc(CO)cc1Br 115478812 VYPFVNCCOSKPQE-UHFFFAOYSA-N 207.092 2.311 0 40 BEAB OC[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 149146720 HUMHLGKGPBRHRM-LSDHHAIUSA-N 231.339 2.281 0 40 BEAB Cc1ccc(C(=N)N)cc1C(F)(F)F 199766513 MLPWPNNVZXGISW-UHFFFAOYSA-N 202.179 2.298 0 40 BEAB Oc1cc(C(F)F)nc(C(F)(F)F)n1 217638154 HNIQIPRCXZVEGI-UHFFFAOYSA-N 214.093 2.139 0 40 BEAB Cc1cccc(OCCNC(=O)C2CC2)c1C 223971598 QNUGVUHQZQBIQD-UHFFFAOYSA-N 233.311 2.208 0 40 BEAB COC(=O)C(C)(C)CC(C)(C)CC(=O)O 256052875 PAFMVPQPDFAIMW-UHFFFAOYSA-N 216.277 2.077 0 40 BEAB Cc1cc(N(C)C)nc2c(N)cccc12 257827317 GBDULTULYKHENB-UHFFFAOYSA-N 201.273 2.191 0 40 BEAB COC(=O)c1cccnc1OCc1ccccc1 504292180 OHBQIOJOFOKYOT-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB CCc1nc2sc3c(c2c2nncn12)CCC3 126628 PYPPWLNXAQCPPP-UHFFFAOYSA-N 244.323 2.390 0 40 BEAB Cc1ccc(N)cc1NC(=O)c1ccc(N)cc1 262150 WYPQPRSRZBJKIC-UHFFFAOYSA-N 241.294 2.412 0 40 BEAB CC(=O)Nc1ccc(N2CCCC2)cc1 1393191 ATKVNSUOTPRKKI-UHFFFAOYSA-N 204.273 2.245 0 40 BEAB CSc1nc2c(Cl)ncnc2s1 1585850 DZHBTSNMJIBPJC-UHFFFAOYSA-N 217.706 2.462 0 40 BEAB CN1CCC[C@H](OC(=O)C2CCCCC2)C1 3258767 UZUUCVGAOBUJHO-LBPRGKRZSA-N 225.332 2.204 0 40 BEAB CCn1c(S)nnc1-c1cccc(F)c1 4736548 OZEKQMNPQRLDHT-UHFFFAOYSA-N 223.276 2.393 0 40 BEAB Cc1ccc(/C(=C\C(=O)O)C(=O)O)cc1Cl 11692816 XIUQWUZNMKFNHT-VMPITWQZSA-N 240.642 2.201 0 40 BEAB COc1cc(CO)cc(Cl)c1OC(F)F 12804019 QAZKUAVDXVJNGY-UHFFFAOYSA-N 238.617 2.442 0 40 BEAB CC(C)CNC(=S)Nc1cccnc1 13837106 NTGIAMCYOXLUTE-UHFFFAOYSA-N 209.318 2.024 0 40 BEAB CCn1/c(=N/N=O)sc2ccccc21 16974130 JNINLGOLQGICPU-KTKRTIGZSA-N 207.258 2.305 0 40 BEAB O=C(/N=c1\[nH]c2ccccc2s1)C1CCC1 18209306 SWNUKEVAXPWDBO-UHFFFAOYSA-N 232.308 2.457 0 40 BEAB NCCCCCC(=O)Nc1ccccc1 19518225 NJHPTRCDNRQRLW-UHFFFAOYSA-N 206.289 2.144 0 40 BEAB Cc1nc2sc3c(c2c(=N)n1N)[C@@H](C)CCC3 20100293 AOALKGYSGFTUMV-LURJTMIESA-N 248.355 2.039 0 40 BEAB COCc1noc(N)c1-c1cccc(OC)c1 26512587 XTKYQEYNZTZBCJ-UHFFFAOYSA-N 234.255 2.079 0 40 BEAB CCC[C@@H](C)N(C)C(=O)c1ccc2[nH]nnc2c1 32064895 FTXNMAKQUMLVAZ-SECBINFHSA-N 246.314 2.219 0 40 BEAB CCOC(=O)Cc1ccnc2ccccc12 33488422 NAYCHRONYVXKHF-UHFFFAOYSA-N 215.252 2.340 0 40 BEAB COCCCNCc1cc(C)ccc1OC 35161750 NOGZIXBXBHHFCD-UHFFFAOYSA-N 223.316 2.130 0 40 BEAB N[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 38539617 AEUIQDMQUUXQBB-GFCCVEGCSA-N 224.735 2.263 0 40 BEAB CN(Cc1ccc(F)cc1)C(=O)c1ccncc1 40159664 OYSYOFMFAMJVHK-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB CC(C)NC(=O)CN(Cc1ccccc1)C1CC1 43643106 KNMYOSOREBVGGE-UHFFFAOYSA-N 246.354 2.176 0 40 BEAB CC[C@H](C)NC(=O)Nc1ccc(N(C)C)nc1 48092040 CJRCVBIPTAINQH-VIFPVBQESA-N 236.319 2.068 0 40 BEAB CN1CCCc2cc(NC(=O)NC3CC3)ccc21 49134234 FYYRCAZVQDJSLD-UHFFFAOYSA-N 245.326 2.353 0 40 BEAB CCn1cc(NC(=O)c2ccccc2C)cn1 58342717 NJKAEQUXQBIFMV-UHFFFAOYSA-N 229.283 2.464 0 40 BEAB O=C(O)c1cc(-c2cc(F)cc(F)c2)n[nH]1 70460254 FXNNWDFZQWBOLL-UHFFFAOYSA-N 224.166 2.053 0 40 BEAB CN1CCC(CN(C)[C@H]2C=CCCC2)CC1 71915662 BHQMRKSFVDJVDO-AWEZNQCLSA-N 222.376 2.369 0 40 BEAB CC[C@@H](O)c1cnc(N2CCCC2)c(C)c1 72222437 QMFFZEKMFKOEMD-GFCCVEGCSA-N 220.316 2.434 0 40 BEAB CCN(CC)c1cc(C)c([C@@H](C)N)cn1 72223266 PGJHOBRSMYKLKB-SNVBAGLBSA-N 207.321 2.256 0 40 BEAB Cn1ccc(-c2cc(CO)c3ccccc3n2)n1 72339616 UPYWWZNVVXWAKJ-UHFFFAOYSA-N 239.278 2.128 0 40 BEAB CCCCc1cc(NC(=O)[C@H]2CCCO2)on1 75092677 XTMKVZORLSCVEL-SNVBAGLBSA-N 238.287 2.135 0 40 BEAB CC(C)CC[C@@](C)(O)CNC(=O)C1CC=CC1 75128852 DGVVOHHHBRRXHO-CQSZACIVSA-N 239.359 2.256 0 40 BEAB O=C(c1ccncc1)N1Cc2ccccc2C1 82279011 RSKNUVGOXSYNPG-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB O=C(O)Cc1cccn1-c1ccccc1 82912804 PMYDKWZJPYDSOG-UHFFFAOYSA-N 201.225 2.104 0 40 BEAB NCC1(Sc2ccccc2)CCOCC1 83501414 VTZMLSKCTQJSJM-UHFFFAOYSA-N 223.341 2.287 0 40 BEAB C[C@@H]1CN(CCc2cccc(N)c2)C[C@H]1C 86015192 HFTCNYIARDEQIU-VXGBXAGGSA-N 218.344 2.399 0 40 BEAB Fc1ccc(OCCC2OCCCO2)cc1F 89064041 AXSDEXWHRKBIGZ-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB CN(Cc1ccco1)C(=O)Nc1ccncc1F 95940257 ROSRQEJMTAPRTN-UHFFFAOYSA-N 249.245 2.478 0 40 BEAB COCc1ccc(CNc2nc(C)no2)cc1 96494469 KUZNOWNWTUQZJQ-UHFFFAOYSA-N 233.271 2.137 0 40 BEAB CCO[C@H](C)c1nccn1C[C@H]1CCCO1 97378335 GIEUHGHMXAXHPG-GHMZBOCLSA-N 224.304 2.160 0 40 BEAB CN(C)c1ccc(N)cc1NC(=O)C(C)(C)C 226260535 FDIGLAZZWOFSID-UHFFFAOYSA-N 235.331 2.319 0 40 BEAB COC(=O)CCCC(=O)c1c(F)cccc1F 259769686 RSMZQIGCFMUIRN-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB c1ccc(-c2n[nH]c(=NC3CCCCC3)o2)nc1 521395777 LMFMZMGWULEQKU-UHFFFAOYSA-N 244.298 2.298 0 40 BEAB Nc1nc2sc3c(c2c(=O)s1)CCCC3 116154 CLDVQGQXZUANQB-UHFFFAOYSA-N 238.337 2.179 0 40 BEAB Cc1cccc(OCC(=O)Nc2nccs2)c1 136293 KBKNLCSFOAMJOO-UHFFFAOYSA-N 248.307 2.469 0 40 BEAB C[C@H](CO)Nc1ccc(F)c(Cl)c1 406003 KLMJTKRRVZWMMR-ZCFIWIBFSA-N 203.644 2.272 0 40 BEAB Nc1ccccc1-n1nc2ccccc2n1 2003722 WEZAEJUVUHTITP-UHFFFAOYSA-N 210.240 2.003 0 40 BEAB CC(=O)O[C@@H]1CCC[C@H](OCC(C)C)O1 4803842 ZKOSHQJCKQMIQJ-MNOVXSKESA-N 216.277 2.075 0 40 BEAB CC(C)(CO)NC(=O)Nc1c[nH]c2ccccc12 5299854 NEMNZWGHQKYBJR-UHFFFAOYSA-N 247.298 2.060 0 40 BEAB Cc1c(CCC(=O)O)c(O)nc2ccccc12 8868373 INDBCVKRYIAIQP-UHFFFAOYSA-N 231.251 2.266 0 40 BEAB CC(=O)c1cc(Br)c(O)cc1O 9028482 DUKKNGGJJTYXEN-UHFFFAOYSA-N 231.045 2.063 0 40 BEAB CCNC(=O)[C@@H](C)Nc1ccc(C)cc1C 9379277 QXCXEGYNKFMVKP-LLVKDONJSA-N 220.316 2.240 0 40 BEAB Nc1ccc(NCCc2ccccc2)nc1 11757345 GQRLTCXCRVBCQF-UHFFFAOYSA-N 213.284 2.318 0 40 BEAB Cc1ncnc(O)c1Cc1ccccc1 16855740 JKASZIFQCOKTFF-UHFFFAOYSA-N 200.241 2.081 0 40 BEAB Cc1ccc2c(c1)CCCN2CCCN 19517465 LCOXOAROEJPRGT-UHFFFAOYSA-N 204.317 2.096 0 40 BEAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3)ccc12 19695601 PQHUWISIZFANOX-JTQLQIEISA-N 245.330 2.203 0 40 BEAB C[C@@H](N)c1nc(-c2cccc(Cl)c2)no1 19785454 PXEQJKNOHRWGHR-ZCFIWIBFSA-N 223.663 2.410 0 40 BEAB Cc1cc(N)n(-c2ncc(Cl)cc2Cl)n1 26512326 BZCINBYCHDTHRP-UHFFFAOYSA-N 243.097 2.465 0 40 BEAB N=C(N)COc1ccc(C(F)(F)F)cc1 26514548 WPMASHCKZZAIEQ-UHFFFAOYSA-N 218.178 2.020 0 40 BEAB in-vitro CC[C@@H](C)N(CCN)Cc1cccs1 32012712 VVHRJYAVEIGZKV-SNVBAGLBSA-N 212.362 2.307 0 40 BEAB CN(Cc1cccnc1)C(=O)C1CCCC1 32967315 HZFFVXZZFGTRFJ-UHFFFAOYSA-N 218.300 2.230 0 40 BEAB O=C(O)Cn1c(C2CCC2)nc2ccccc21 37400596 WOIIJELSXRUYEA-UHFFFAOYSA-N 230.267 2.388 0 40 BEAB C[C@](NCc1ccccc1)(C(=O)O)C1CC1 37952301 HCWZUZJMLLWUHD-CYBMUJFWSA-N 219.284 2.030 0 40 BEAB Nc1cccc(F)c1C(=O)C(F)(F)F 39055417 IXFZZYQHXMHEET-UHFFFAOYSA-N 207.126 2.153 0 40 BEAB CC(C)N1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1 39276363 LURNCVQHNOOYJK-AAEUAGOBSA-N 247.294 2.069 0 40 BEAB CC(C)OCCCNC(=O)c1ccc(Cl)o1 40480704 DYJASMWWRWSKPE-UHFFFAOYSA-N 245.706 2.478 0 40 BEAB COCCNC(=O)Nc1ccc(C)cc1Cl 40525679 HTNJZGIFKULDKD-UHFFFAOYSA-N 242.706 2.416 0 40 BEAB COc1ccc(OC)c(C(=O)C(F)(F)F)c1 43505007 JPUPBTDNNDMNAO-UHFFFAOYSA-N 234.173 2.449 0 40 BEAB CN(C(=O)CCn1cccn1)C1CCCCC1 47667134 SICGZTBFNNQKOH-UHFFFAOYSA-N 235.331 2.064 0 40 BEAB CCCCN(CC(N)=O)Cc1ccc(C)cc1 48048339 DDKYDGRRIZUURZ-UHFFFAOYSA-N 234.343 2.082 0 40 BEAB CCS(=O)(=O)N[C@H](C)c1ccccc1Cl 48903095 BYEIPNBBXXIZCB-MRVPVSSYSA-N 247.747 2.340 0 40 BEAB CC(C)[C@H](C)NC(=O)COc1ccc(F)cc1 49535397 WKYBSBSICJPBHL-JTQLQIEISA-N 239.290 2.365 0 40 BEAB Cc1c(C(=O)C(=O)O)sc2ccccc12 57218678 XUSVJLDZZOIHHL-UHFFFAOYSA-N 220.249 2.477 0 40 BEAB in-vitro O=C(O)COc1ccc(CNC2CCCC2)cc1 62716780 ZPNXLLVZWNRKEG-UHFFFAOYSA-N 249.310 2.182 0 40 BEAB CCNC(=O)N(Cc1cccnc1)C(C)C 68562273 DRTDFAGDVWZYSC-UHFFFAOYSA-N 221.304 2.022 0 40 BEAB CCc1[nH]nc(NC(=O)Nc2cc(C)on2)c1C 69702993 QMFDJFJZMDHBFH-UHFFFAOYSA-N 249.274 2.221 0 40 BEAB CCCn1nc(C)cc1C(=O)C(F)(F)F 72209466 URJUNGYAHYWLNR-UHFFFAOYSA-N 220.194 2.347 0 40 BEAB CC(C)Oc1ccc([C@H]2CCCN2C=O)cn1 72211887 ZJYXNVCGEZLZQH-GFCCVEGCSA-N 234.299 2.162 0 40 BEAB c1cnc(NC2CC2)c([C@@H]2CCCCN2)c1 72213730 KHBGOMXKMJIPJB-LBPRGKRZSA-N 217.316 2.471 0 40 BEAB CCCc1ncc(C(=O)O[C@H]2CCOC2)s1 78948254 YJNGKQVLUIEZEY-QMMMGPOBSA-N 241.312 2.041 0 40 BEAB O=C1Nc2ccccc2CN1CC1CCNCC1 82309802 CBXLWGDRNJSRGC-UHFFFAOYSA-N 245.326 2.034 0 40 BEAB CCO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 82610341 WLOOSHLBMGEMMC-SNVBAGLBSA-N 229.320 2.422 0 40 BEAB Cc1nsc(N[C@@H](C)c2ccccn2)n1 83648016 ALEFOIOLMDODMV-ZETCQYMHSA-N 220.301 2.415 0 40 BEAB CC(C)NC(=O)[C@@H]1CCNc2ccccc21 84486176 HTXGJEKNABNIQF-LLVKDONJSA-N 218.300 2.110 0 40 BEAB S=C(NC1CC1)N[C@H]1C[C@@H]1c1ccccc1 84525473 CWOPSMMWFMVWTI-NEPJUHHUSA-N 232.352 2.169 0 40 BEAB O=C(O)c1cc(OCC(F)(F)F)cs1 85656739 NTKROJIYYAMXBJ-UHFFFAOYSA-N 226.175 2.387 0 40 BEAB CCOC(=O)c1ccc(OCC)s1 90472887 VAOFPWCLCBNYPE-UHFFFAOYSA-N 200.259 2.324 0 40 BEAB CCS[C@@H]1CCCC[C@@H]1NC(C)=O 95408784 IHDTUDKWHBNSMF-VHSXEESVSA-N 201.335 2.187 0 40 BEAB CCOCC(=O)Nc1ccccc1OCC1CC1 96419181 UAEAYSKYFVAWPI-UHFFFAOYSA-N 249.310 2.450 0 40 BEAB CN(C)c1nc2ccccc2nc1Cl 96515980 DYXSGRNPUFVNIF-UHFFFAOYSA-N 207.664 2.349 0 40 BEAB N[C@H]1CCN(CCCCc2ccccc2)C1 96523507 QDCDHPAYFIOVID-AWEZNQCLSA-N 218.344 2.042 0 40 BEAB CCN(CC[C@H](N)C(C)C)Cc1ccncc1 96523800 NTKBNNVXCPVXJR-AWEZNQCLSA-N 235.375 2.277 0 40 BEAB O=C(O)c1nccn1Cc1ccccc1Cl 98214050 QPSYNQHHLLCKKZ-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB O[C@@H]1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1C2 100549445 LGLZRUQGFUJOOH-CLPYTZEMSA-N 210.317 2.089 0 40 BEAB Cc1cnc([C@@H]2CCN(CC3CCC3)C2)[nH]1 205694292 NOFZQQKCYJXRKW-GFCCVEGCSA-N 219.332 2.308 0 40 BEAB Cc1cc(F)ccc1N1CCN[C@H]2CCC[C@H]21 218847234 PDPKXEVVDGTIIZ-GXTWGEPZSA-N 234.318 2.465 0 40 BEAB COc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1 225642264 KPMDRPXZBVWDFG-CQSZACIVSA-N 249.310 2.449 0 40 BEAB CCNCc1ccc(Cc2ccco2)[nH]1 226021030 SGPYLAYEEOMPIH-UHFFFAOYSA-N 204.273 2.308 0 40 BEAB CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CC1)[C@H]2N 238856117 UVLGMZFCEXVMIG-CWSCBRNRSA-N 240.347 2.171 0 40 BEAB COC(=O)c1cc(F)ccc1SC 260199777 RRCCOZVVTBFBDJ-UHFFFAOYSA-N 200.234 2.334 0 40 BEAB CC(=O)OCC(=O)c1cc(C)ccc1Cl 308782617 DIHQQVNQRHHEHP-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB Fc1cccc([C@@H]2C[C@H]2NC2=NCCCCN2)c1 521396938 JHTCXHYCXLCNNV-QWHCGFSZSA-N 247.317 2.011 0 40 BEAB CCc1cccc(CNC2=NCCCCN2)c1 521396967 XRYASPHXNJCMJZ-UHFFFAOYSA-N 231.343 2.078 0 40 BEAB CC(C)(c1ncc(O)cn1)C(F)(F)F 606303346 WIOZHEXZYHUCSD-UHFFFAOYSA-N 206.167 2.022 0 40 BEAB c1nc(C2CC2)oc1-c1cn2c(n1)CCC2 906181039 CVXOXCXIZGYTIS-UHFFFAOYSA-N 215.256 2.362 0 40 BEAB O=C(NCC1CC1)c1ccc(Cl)c(O)c1 1540577220 OFMUYOJCHQSZIZ-UHFFFAOYSA-N 225.675 2.185 0 40 BEAB O=C1O[C@H](Nc2nccs2)c2ccccc21 104257 ZQWUKVVSXIBRAJ-VIFPVBQESA-N 232.264 2.424 0 40 BEAB Cc1n[nH]c2oc(=O)cc(-c3ccccc3)c12 129472 MQNIZHOEYIGUAL-UHFFFAOYSA-N 226.235 2.492 0 40 BEAB CC(C)C(=O)OCC[C@@H](C)OC(=O)C(C)C 2046264 LAMCKTKYVYSYRX-SNVBAGLBSA-N 230.304 2.163 0 40 BEAB O=C(CCCOc1ccccc1)N1CCCC1 2990084 IKLBJBJBLUFPSO-UHFFFAOYSA-N 233.311 2.468 0 40 BEAB COc1cc(/C=C2\N=C(C)OC2=O)cc(OC)c1 4631904 RVBXMTLYWMJFHD-SDQBBNPISA-N 247.250 2.020 0 40 BEAB CCOC(=O)[C@H]1Cc2ccccc2C(=O)[C@@H]1C 4974555 DJRIVYVNVWOOAQ-SKDRFNHKSA-N 232.279 2.241 0 40 BEAB CC(=O)[C@H](C)CCO[C@@]1(C)OCC[C@@H]1C 4976411 OQTJPVDUVXPFKJ-SCVCMEIPSA-N 214.305 2.391 0 40 BEAB in-vitro CON(C)c1nc(C)nc2sc3c(c12)CCC3 6935770 USBHBPLZEOENDD-UHFFFAOYSA-N 249.339 2.486 0 40 BEAB CC(C)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 7212325 YRTOXVBEBJUSRC-VIFPVBQESA-N 245.319 2.149 0 40 BEAB Cc1cccc(C(=O)NCCc2ccccn2)c1 9127022 FZSQUPBSRCNNQY-UHFFFAOYSA-N 240.306 2.363 0 40 BEAB COc1ccc(C(=O)NCCC(C)C)c(O)c1 12889202 MSNKFSJUIDHPMW-UHFFFAOYSA-N 237.299 2.177 0 40 BEAB COC(=O)c1cccc(NC(=O)C2CC2)c1C 12985033 IVILSQYQPCXGSK-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB NCc1ccc(CN2CCCCCC2)o1 16942689 NTEIAZUYKGSEGN-UHFFFAOYSA-N 208.305 2.114 0 40 BEAB CCCCCNC(=O)Cc1ccccc1N 19388984 SEIRKEDRIPLVOW-UHFFFAOYSA-N 220.316 2.118 0 40 BEAB CCN(CC)CCNCc1ccsc1 19919240 NMPSAROCBKLULI-UHFFFAOYSA-N 212.362 2.180 0 40 BEAB COC(=O)CNc1cccc2ccccc12 20039306 XZPCEHZALHRIPB-UHFFFAOYSA-N 215.252 2.425 0 40 BEAB Cc1nc(-c2ccccc2)c(C(=O)O)o1 20357810 GCTADCJWXIPOCS-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB Cc1nnc2n1N=C(c1ccccc1)[C@@H](C)S2 27300547 ILBIEFJNRRKDEL-MRVPVSSYSA-N 244.323 2.333 0 40 BEAB Cc1cnc(NC(=O)c2cc(C3CC3)[nH]n2)s1 30565745 QLZFYXJHGXBFMV-UHFFFAOYSA-N 248.311 2.304 0 40 BEAB Cc1cc(C)cc(C(=O)N2CCO[C@@H](C)C2)c1 32865148 ZBEJHGUJSCBNQV-LBPRGKRZSA-N 233.311 2.164 0 40 BEAB CCOC(=N)c1cc(OC)c(OC)c(OC)c1 34143889 KHZXWWHAFMMYQE-UHFFFAOYSA-N 239.271 2.074 0 40 BEAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 34275367 KLRYBAAAYDFIEQ-RKDXNWHRSA-N 245.319 2.099 0 40 BEAB COC(=O)CC(=O)Cc1cccc(Cl)c1 36532658 HXFLZWMDSJSEKH-UHFFFAOYSA-N 226.659 2.015 0 40 BEAB Cc1cc(-c2noc([C@@H](C)N)n2)ccc1F 37734549 ISRCMEDVZCVWKO-SSDOTTSWSA-N 221.235 2.204 0 40 BEAB in-vitro Fc1ccc(-n2cc(Br)cn2)nc1 41045509 KXHSSXJEYOOOCR-UHFFFAOYSA-N 242.051 2.169 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccncc1 41788348 HUEKXTQTVHOCEQ-KGYLQXTDSA-N 230.311 2.401 0 40 BEAB O=C(O)c1cccn(-c2ccc(Cl)cc2)c1=O 49837732 ZXCMWTGBTQKYEQ-UHFFFAOYSA-N 249.653 2.189 0 40 BEAB CNC[C@H]1C[C@H]1c1ccc(N(C)C)cc1 54588469 GBFQCYNTWBMCGP-YPMHNXCESA-N 204.317 2.076 0 40 BEAB CC1(C(=O)O)CCN(C2CCCC2)CC1 62844362 PMSMUFFFZMEXFJ-UHFFFAOYSA-N 211.305 2.116 0 40 BEAB Cc1cnn(C[C@@H](C)NCc2ccsc2)c1 69455546 KNZUSJWYQHYIIQ-LLVKDONJSA-N 235.356 2.431 0 40 BEAB O=C(O)c1c(Cl)ncn1-c1ccc(F)cc1 69949563 DKZVYVDZHGPFBS-UHFFFAOYSA-N 240.621 2.363 0 40 BEAB N[C@H]1CCN(C(=O)c2ccco2)c2ccccc21 71324202 UUSMAXRJYODTIN-NSHDSACASA-N 242.278 2.330 0 40 BEAB CCOCCCC(=O)N(C)c1cccc(C)n1 71911358 UCWIESCHFHTYSJ-UHFFFAOYSA-N 236.315 2.170 0 40 BEAB COC[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C 84636743 OQPPEHNTKPKYFM-NXEZZACHSA-N 215.337 2.210 0 40 BEAB CCn1ncc2c(Cl)nc(Cl)nc21 85221873 MBSDYSAYKSKMQZ-UHFFFAOYSA-N 217.059 2.153 0 40 BEAB COc1cc(Br)c2c(c1)C(=O)N=C2 85345512 XSGCQLQMFFLDMV-UHFFFAOYSA-N 240.056 2.030 0 40 BEAB C[C@@H]1C[C@H](O)c2c(ccc3ncccc23)O1 85399853 XFENIEXPONKEDM-KCJUWKMLSA-N 215.252 2.439 0 40 BEAB Cc1csc([C@H](NC(=O)C2CC2)C2CC2)n1 89705335 GXYBRWQRPQDOLZ-SNVBAGLBSA-N 236.340 2.429 0 40 BEAB COC(=O)c1cc(N)c(C)c(OCC(C)C)c1 95095517 AGKJZZSHCOARNW-UHFFFAOYSA-N 237.299 2.399 0 40 BEAB COCCn1c(C=O)nc2ccc(Cl)cc21 95095706 GCHGPNKUGACEGO-UHFFFAOYSA-N 238.674 2.149 0 40 BEAB CC(C)Cn1cc([C@H](O)CN)c2ccccc21 95098371 NHUCWZGNJGYWSZ-CQSZACIVSA-N 232.327 2.289 0 40 BEAB CCCCSC[C@H](C)CS(C)(=O)=O 95411014 VSMYVGDDRIQLPC-VIFPVBQESA-N 224.391 2.200 0 40 BEAB O=C(C1CCCC1)N1CCOC2(CCCC2)C1 95422732 WHMXBKNMZTWVTL-UHFFFAOYSA-N 237.343 2.348 0 40 BEAB CCOC(=O)C(=O)Sc1cc(C)cc(C)c1 95731132 XHPYQFNULSZHCF-UHFFFAOYSA-N 238.308 2.485 0 40 BEAB CC(=O)c1sc(C(=O)O)cc1Br 96962275 DPSOMJWTJDUILY-UHFFFAOYSA-N 249.085 2.411 0 40 BEAB O=C1C2(C[C@@H]3C=C[C@@H]2C3)C(=O)C12C[C@H]1C=C[C@H]2C1 104213267 LHVUQOXIEJINII-ULKKZQANSA-N 240.302 2.303 0 40 BEAB C[C@H]1[C@H](C)[C@@H]2[C@H]3[C@H]4[C@H]5[C@@]6(C[C@H](O)C=C[C@@]526)[C@@H]1[C@@H]43 104290043 VVDJHGYLWXVZIO-MKANEHPCSA-N 228.335 2.317 0 40 BEAB O=C1CCN[C@H](c2cccc(Cl)c2Cl)N1 209612234 ZFLNPFOSMFWPDT-JTQLQIEISA-N 245.109 2.102 0 40 BEAB Cc1cc(C(=O)O)cn1-c1ccccc1 223750758 GFKQYFBYRMQOSM-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB CCCCC(=O)Nc1cnc(N2CCCC2)nc1 224245673 METKWMBIPGABJY-UHFFFAOYSA-N 248.330 2.206 0 40 BEAB C[C@H]1C[C@H](O)C[C@@H](C)N1Cc1ccccc1 242548225 LDYXEQLMMZDMQB-DABQJJPHSA-N 219.328 2.420 0 40 BEAB Cc1nc(CC2CCC2)sc1C(=O)O 242548302 LIWLELVONTZORA-UHFFFAOYSA-N 211.286 2.492 0 40 BEAB Cc1noc(C)c1NC(=O)CC(C)(F)F 277252679 VXEUPSWKKDHZAJ-UHFFFAOYSA-N 218.203 2.275 0 40 BEAB C[C@@H]1CN(C(=O)C2CC=CC2)CCC1(F)F 290755609 ATLFPAAHGJGMRM-SECBINFHSA-N 229.270 2.456 0 40 BEAB Nc1cc(Br)n(C2CCCC2)n1 952958990 BSNCVORJLDUYBD-UHFFFAOYSA-N 230.109 2.343 0 40 BEAB CC[C@@]1(C)c2c(oc(C)c(C)c2=O)CC[C@@H]1O 1772591488 CFHHZMLUIMVNSY-SMDDNHRTSA-N 236.311 2.231 0 40 BEAB COc1ccc(/C=C2/N=C(C)OC2=O)cc1 70568 NRQHBNNTBIDSRK-YRNVUSSQSA-N 217.224 2.011 0 40 BEAB CC(C)[C@@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 345792 ISECDCWBPMVGJG-NEPJUHHUSA-N 247.294 2.213 0 40 BEAB C[C@@H](CC[C@H](N)C(=O)O)CC(C)(C)C 1570984 LQPHHJWZDMPTML-IUCAKERBSA-N 201.310 2.251 0 40 BEAB COC(=O)CCSCc1ccco1 2510286 MXXNUXUTQGTBGJ-UHFFFAOYSA-N 200.259 2.076 0 40 BEAB CC(C)(C)C1=NO[C@](O)(C(F)(F)F)C1 4141877 VOMBRBSMTPDXFK-ZETCQYMHSA-N 211.183 2.060 0 40 BEAB Cc1cc(=O)c2cnn(-c3ccccc3)c2[nH]1 4876755 WRKLMHLZOXCIBB-UHFFFAOYSA-N 225.251 2.022 0 40 BEAB CC(=O)CC(=O)OC/C=C/c1ccccc1 5159464 BDCAQAAKRKWXFW-VMPITWQZSA-N 218.252 2.222 0 40 BEAB Cc1cc(C)c2c(n1)sc1c(NN)ncnc12 6189391 PTXMKDJMYPRAJF-UHFFFAOYSA-N 245.311 2.142 0 40 BEAB CCc1nonc1NC(=O)c1ccc(F)cc1 9200239 YPNZXXMPWRBBOY-UHFFFAOYSA-N 235.218 2.023 0 40 BEAB CC(=O)c1cccc(NC(=O)c2ccno2)c1 10254038 PVNRBALCLBNHCG-UHFFFAOYSA-N 230.223 2.130 0 40 BEAB O=C(NCCCc1nc2ccccc2[nH]1)C1CC1 11484607 GJENPXMIVFIKGY-UHFFFAOYSA-N 243.310 2.022 0 40 BEAB CC(C)NC(=O)c1cnn(Cc2ccccc2)c1 12851023 HIVBEVZBJWJMDR-UHFFFAOYSA-N 243.310 2.070 0 40 BEAB O=C(C[C@@H]1C=CCC1)N=c1[nH]c2ccccc2[nH]1 17304194 PBCQOZAJGSVUSI-SNVBAGLBSA-N 241.294 2.280 0 40 BEAB CC[C@@H](C(=O)N1CCCNCC1)c1ccccc1 19265806 VZIAMEQWGYZXFS-CQSZACIVSA-N 246.354 2.002 0 40 BEAB COC[C@H](C)NCc1ccc(Cl)cc1 19904332 MVADOZKFWCGZGZ-VIFPVBQESA-N 213.708 2.465 0 40 BEAB CCn1nccc1CNCc1cccc(F)c1 20349289 UKEOVGNXMCWESH-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB O=C1CCCNc2nn(-c3ccccc3)cc21 21925849 WDBHCWTXSSWPOI-UHFFFAOYSA-N 227.267 2.261 0 40 BEAB C1=CC2=CC=C[C@H](CC3=NCCN3)[C@@H]2C=C1 21983095 ZJSGEQUSOJAXBX-CHWSQXEVSA-N 212.296 2.233 0 40 BEAB Cc1ccsc1C(=O)N[C@H](C)c1cnn(C)c1 27919460 HNBCKPLOZREHFP-SECBINFHSA-N 249.339 2.281 0 40 BEAB O=C(c1cc(F)cc(F)c1)N1CCCC1 28210524 WMJSYIVBSURIBO-UHFFFAOYSA-N 211.211 2.201 0 40 BEAB Cc1cc(C)cc(C(=O)N2CCO[C@H](C)C2)c1 32865147 ZBEJHGUJSCBNQV-GFCCVEGCSA-N 233.311 2.164 0 40 BEAB Cn1ccc(C(=O)COc2ccccc2F)c1 35183512 KACUAYOPDOXDMG-UHFFFAOYSA-N 233.242 2.426 0 40 BEAB O=c1[nH]c2ccccc2n(C2CCCCC2)c1=O 35683201 KQQIDKXNZWTPDZ-UHFFFAOYSA-N 244.294 2.195 0 40 BEAB Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)on1 36397023 BVSDJIYJEIOLEJ-VIFPVBQESA-N 224.304 2.490 0 40 BEAB Cc1cc(C(=O)OC(C)C)c2c(C)noc2n1 37163759 QXWJQLOYKQCVDD-UHFFFAOYSA-N 234.255 2.405 0 40 BEAB O[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 38538951 QWXKCJSTTWXYOH-NSHDSACASA-N 245.244 2.272 0 40 BEAB in-vitro CCOc1cccc2c(=O)c(C(C)=O)c[nH]c12 40176336 JTVYNDHUDVJQLB-UHFFFAOYSA-N 231.251 2.129 0 40 BEAB Cc1cccc(NC(=O)Cc2c(C)noc2C)n1 40476460 CJYXTOYGNBLUFP-UHFFFAOYSA-N 245.282 2.176 0 40 BEAB C[S@@](=O)Cc1c(C(=O)O)oc2ccccc12 40960303 WCAFVOOTIYLSPX-INIZCTEOSA-N 238.264 2.010 0 40 BEAB in-vitro CC(=O)Nc1ccc(NC(=O)NC(C)C)cc1 46331744 XJYVDRNEUJVOAT-UHFFFAOYSA-N 235.287 2.175 0 40 BEAB COc1ccc(-c2cc(C)nc(N)n2)cc1 48400474 ONCSSONNCFQZNQ-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB in-vitro C[C@H](NC(=O)NCc1ccco1)c1ccncc1 48455459 ADOPHLVSQRANQL-JTQLQIEISA-N 245.282 2.235 0 40 BEAB Cc1ccn2cc(CNc3ncccn3)nc2c1 48706809 CCHVJGOKTHXBLE-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB O=C(c1cccc(F)c1)N1CCSCC1 49213309 FWKODFYNJFQICE-UHFFFAOYSA-N 225.288 2.015 0 40 BEAB C[C@H]1CCCN(C(=O)NCc2cscn2)C1 51749224 NBDDHRZLSPFZRB-VIFPVBQESA-N 239.344 2.085 0 40 BEAB C[C@H]1c2cccn2CCN1C(=O)c1cccn1C 69420526 GCBBKZDBUHBOMD-NSHDSACASA-N 243.310 2.044 0 40 BEAB O=C(O)c1ccn(Cc2ccc(Cl)cc2)n1 70707557 PQEHUVSYKXGIOG-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB COc1ccccc1-n1nnc2ccccc21 73740178 VFONLYDQSQORIK-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB CCCNc1nnc(SCC(C)(C)O)s1 78489850 ARMGPBVEUNOIQZ-UHFFFAOYSA-N 247.389 2.223 0 40 BEAB CC(C)(C)OC(=O)Nc1ccnc(C(=O)O)c1 79033728 NYNGMBRXAOOPEY-UHFFFAOYSA-N 238.243 2.127 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@](C)(O)C1 84424167 LGRWHSYCFGRDCZ-LBPRGKRZSA-N 229.320 2.158 0 40 BEAB Cc1cccc(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 89688902 PUWURADQWLBNBL-CHWSQXEVSA-N 242.322 2.428 0 40 BEAB O[C@H](c1cc(Cl)ccn1)C(F)(F)F 91356057 LUUGGAPKHUEXRA-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB C=Cc1ccc(S(=O)(=O)N(CC)CC)cc1 94986266 AVAFAAGMTWQKID-UHFFFAOYSA-N 239.340 2.360 0 40 BEAB CCOc1ccccc1N(C)C(=O)[C@@H]1CCOC1 95438315 ZKGHNCUQKDKKIZ-LLVKDONJSA-N 249.310 2.085 0 40 BEAB CC(C)[C@@H](N)c1n[nH]c(COc2ccccc2)n1 95534699 FXSPSYILNYACKF-GFCCVEGCSA-N 246.314 2.040 0 40 BEAB COC(=O)C(=O)c1ccc(C)c(Cl)c1 95729565 ISTZRBSEEYPZDU-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB CN[C@@H]1CC2(CCNCC2)c2cc(F)ccc21 96062786 PGDSUYHDGOISCT-CYBMUJFWSA-N 234.318 2.111 0 40 BEAB O=C(O)COc1cccc(OCC2CCC2)c1 96528395 YBBSFMDHDKFPDE-UHFFFAOYSA-N 236.267 2.329 0 40 BEAB CCCCc1cc(N)nc([C@@H](C)OC)n1 96529230 WYTILRYMVOUJOD-MRVPVSSYSA-N 209.293 2.109 0 40 BEAB CCC[C@@](C)(NC(=O)/C=C/C(C)(C)C)C(=O)O 97017862 AIXZFYVWZLZFTF-BUUCAEBMSA-N 241.331 2.348 0 40 BEAB CCCc1nnc(NCc2c(C)noc2C)o1 97045427 PWCXKIZHSQFAAC-UHFFFAOYSA-N 236.275 2.239 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CNC[C@@H](C)[S@](C)=O 97099000 DTHDAAIEJBGXJU-RSUWNVLCSA-N 243.416 2.335 0 40 BEAB C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(F)cc1 138555242 DTJFCLRIAGHRNL-SECBINFHSA-N 247.273 2.050 0 40 BEAB CCOC(=O)CC(=O)c1ccc(C)cc1OC 140365533 AKMGBYDEBKTTDI-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB c1nc2c(c(N3CCCCC3)n1)CCCC2 151570004 ITNDASZVLYKBDB-UHFFFAOYSA-N 217.316 2.346 0 40 BEAB O=C(O)[C@@H]1CNc2c(cccc2C(F)(F)F)C1 211236490 SXRAEMOCUFNRLG-ZETCQYMHSA-N 245.200 2.374 0 40 BEAB CCc1nccc(C(F)(F)F)c1C(=O)O 255189226 ONIPUSFWHMFLKT-UHFFFAOYSA-N 219.162 2.361 0 40 BEAB O=Cc1ccc2c(c1Br)OCCO2 258060350 SNRCZGNEJYEAHQ-UHFFFAOYSA-N 243.056 2.033 0 40 BEAB CCc1ncnc(N2C[C@H]3CCC[C@@H]3C2)c1F 271131926 VPSZGVKRKFNXOY-NXEZZACHSA-N 235.306 2.414 0 40 BEAB CCC/C=C/C=C/C(CC(=O)O)CC(=O)O 514288160 SCFJYQRJWMNDSZ-YTXTXJHMSA-N 226.272 2.465 0 40 BEAB biogenic,in-vitro Cc1cc(CNc2cnn(C)c2C)sn1 638856023 SIARTETVUHWXAI-UHFFFAOYSA-N 222.317 2.106 0 40 BEAB CCOC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 1857795733 OEVIFWQPSJCRKT-STQMWFEESA-N 233.311 2.419 0 40 BEAB CC(C)CS(=O)(=O)Nc1ccc(F)cc1F 256260 PEUWWVLMXJMIMJ-UHFFFAOYSA-N 249.282 2.363 0 40 BEAB c1ccc(Oc2cc(-n3cccn3)ncn2)cc1 551626 OYMRGNAOABAKMM-UHFFFAOYSA-N 238.250 2.455 0 40 BEAB Cc1cc(NC(=O)c2ccccc2)nc(C)n1 1602510 JJNVMGDCVZIKFY-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Nc1cc2c(cc1N)-c1ccccc1C2=O 1687569 MSURJSLHFVCZLX-UHFFFAOYSA-N 210.236 2.062 0 40 BEAB Nc1ccc(C(=O)c2cccs2)cc1N 2389557 OVVRQDDFAJNUGP-UHFFFAOYSA-N 218.281 2.144 0 40 BEAB in-vitro C[C@H]1Cc2cc(CSC(=N)N)ccc2O1 4131609 VCFNBCYEJJBLDJ-ZETCQYMHSA-N 222.313 2.137 0 40 BEAB COc1cc(N2CCCCC2)ccc1C=O 4245511 UQLSSMROJICTRN-UHFFFAOYSA-N 219.284 2.498 0 40 BEAB CC(C)NC(=O)COc1ccccc1Cl 5481832 LRQWGUVFKSYRSY-UHFFFAOYSA-N 227.691 2.243 0 40 BEAB O=C(Cc1ccccc1Cl)Nc1ncccn1 13022365 CVHGYESBKLHTHF-UHFFFAOYSA-N 247.685 2.311 0 40 BEAB CC[C@H](NN)c1ccc(Br)cc1 19401503 UKECYAZFTMCOQF-VIFPVBQESA-N 229.121 2.364 0 40 BEAB CCNCCCN[C@H](C)c1ccccc1 19736957 KWHLLNPMYLJHQG-GFCCVEGCSA-N 206.333 2.337 0 40 BEAB N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 20261204 XURCCJOGZFFRKU-CHWSQXEVSA-N 213.284 2.070 0 40 BEAB in-vitro N[C@@H]1CCCc2c1cnn2Cc1ccccc1 20283123 PDNVNRNGDGDHST-CYBMUJFWSA-N 227.311 2.268 0 40 BEAB in-vitro COC(=O)c1ccc([C@H]2CCCCN2)cc1 22015315 MCVNPUNNHRUTMY-GFCCVEGCSA-N 219.284 2.288 0 40 BEAB COc1cc(C(=O)O)c(-n2cccc2)cc1OC 22214471 POCCMFYSLDOPPP-UHFFFAOYSA-N 247.250 2.193 0 40 BEAB Cc1cnc(C(=O)N(C)c2ccccc2)cn1 24043682 DJFDBFMDVMMQOM-UHFFFAOYSA-N 227.267 2.062 0 40 BEAB Fc1ccc(-c2nnc([C@H]3CCCNC3)o2)cc1 32102804 YLUHXSXRRDTDAX-JTQLQIEISA-N 247.273 2.343 0 40 BEAB CC(C)C(=O)Nc1cccc(Br)n1 35678639 ZKDMTGFOPIELEE-UHFFFAOYSA-N 243.104 2.439 0 40 BEAB O=C(O)/C=C/c1c(F)c(F)cc(F)c1F 44201139 ACIVMMSZITUZIT-OWOJBTEDSA-N 220.121 2.341 0 40 BEAB COC(=O)c1ccc(Cl)c(Cl)n1 47202330 HVVBBQRGDOCRCA-UHFFFAOYSA-N 206.028 2.175 0 40 BEAB in-vitro CCc1cc2c(-n3ccnc3)ncnc2s1 48326310 YDXPKCIMSYKISR-UHFFFAOYSA-N 230.296 2.439 0 40 BEAB Cc1ccc(-c2c[nH]c3c(=O)[nH]cnc23)cc1 57519846 DMZOHLHGTDIMBH-UHFFFAOYSA-N 225.251 2.227 0 40 BEAB COc1cccc([C@H]2C[C@@H]2[C@@H](C)O)c1OC 62713906 FZMUAEIULPUYBQ-FBIMIBRVSA-N 222.284 2.188 0 40 BEAB c1ccc2c(c1)NCC21C[C@@H]2CC[C@H](C1)N2 66054710 FUFDMCCOBKFFDP-BVUQATHDSA-N 214.312 2.264 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)(C)C 69550946 SVJPLIDRGZFUOC-MRVPVSSYSA-N 245.319 2.353 0 40 BEAB Fc1ccc(CNc2nncs2)cc1 69965729 TVAXXPCHEBYAHE-UHFFFAOYSA-N 209.249 2.289 0 40 BEAB C[C@@](CO)(c1cccs1)N1CCCC1 70453235 AFSOIRBNVCUECP-LLVKDONJSA-N 211.330 2.051 0 40 BEAB CC(C)Oc1cc(C(=O)O)nn1-c1ccccc1 72209292 DOICRHOSGYRRAL-UHFFFAOYSA-N 246.266 2.358 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cccc(C)n1 72211112 RQNUIWKNUZUJPW-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB Cc1nc(NC(C)(C)C)ccc1C(=O)O 72225007 PDYIYPCXCCSORZ-UHFFFAOYSA-N 208.261 2.299 0 40 BEAB CC(=O)N1CCC[C@@H](c2ccnc(C)c2)C1 72381447 MWCKNCGJZPWQFJ-CYBMUJFWSA-N 218.300 2.116 0 40 BEAB N[C@H]1CCCC[C@@H]1NCc1ccccc1F 72411139 BSEBPYRQKRQSIO-STQMWFEESA-N 222.307 2.185 0 40 BEAB C1=CC[C@H]2CN(c3nc(C4CC4)no3)C[C@@H]2C1 78370800 YEADSVSDAZSBMT-QWRGUYRKSA-N 231.299 2.349 0 40 BEAB CN1CC[C@@H](SC2CCCCC2)C1=O 89375048 PRWLYDLXCDSJGF-SNVBAGLBSA-N 213.346 2.283 0 40 BEAB FC(F)(F)Oc1ccc([C@H]2COCCN2)cc1 95692292 HBXMNLJLIGPTDU-SNVBAGLBSA-N 247.216 2.246 0 40 BEAB CCCN1CCC(NC2CC=CC2)CC1 95969342 KIBOSTHHCDDZPL-UHFFFAOYSA-N 208.349 2.169 0 40 BEAB Cc1cccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1 96046016 GDUVXQZJDDWPBZ-KCQAQPDRSA-N 246.354 2.389 0 40 BEAB CSc1ccsc1C(=O)N(C)C 96404710 FUJBCKCOOMVNOF-UHFFFAOYSA-N 201.316 2.172 0 40 BEAB CC[C@@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1 97047197 DYIZHOFSGISING-UONOGXRCSA-N 247.338 2.067 0 40 BEAB CCOC(=O)CCCNc1cc(Cl)ccn1 98175305 JPRBHTLPQPEJEH-UHFFFAOYSA-N 242.706 2.490 0 40 BEAB COc1ccc(/C=C(\S)C(=O)O)cc1 100291970 AMARKEGDFSBLFC-TWGQIWQCSA-N 210.254 2.051 0 40 BEAB biogenic CC(=O)OC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210403 ONOBKWFGSCHVER-GIPNMCIBSA-N 224.300 2.191 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2C(=O)CC[C@@H]21 144727334 IEBFVLGHXSDASG-UWVGGRQHSA-N 239.315 2.365 0 40 BEAB C[Si](C)(C)c1c(F)cc(C(=O)O)cc1F 196080962 SNBAEPWHSSSMCZ-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB O=C(Nc1cnc[nH]1)OCc1ccccc1 199811934 NNSMYJRWXYHPCV-UHFFFAOYSA-N 217.228 2.158 0 40 BEAB COc1cccc(N2CCN[C@@H]3CCC[C@H]32)c1 218844280 WXARDROQBJKFJM-ZIAGYGMSSA-N 232.327 2.026 0 40 BEAB CCn1cc(CNc2cnn(CC)c2C)cn1 256053092 PYNLECJAUKZBEI-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB O=C(O)c1ccc(Cl)nc1OC(F)F 306698146 HASDCONMJPIDTA-UHFFFAOYSA-N 223.562 2.035 0 40 BEAB C[C@@]1(C(=O)Nc2cccnc2)CC1(F)F 335561067 IOHZLOWKSCTJMY-VIFPVBQESA-N 212.199 2.065 0 40 BEAB CC(C)c1ccc(C(=O)CC[C@H](N)C(=O)O)cc1 575410803 JNYKJHGKCWPMJU-LBPRGKRZSA-N 249.310 2.185 0 40 BEAB O[C@H]1CC[C@H]1Nc1ncnc2ccc(Cl)cc12 585298177 REEXJWBZDZDENV-MNOVXSKESA-N 249.701 2.218 0 40 BEAB Nc1c(C2CC2)cnn1Cc1ccccc1 642882967 ZQVKDQXTCFZVNZ-UHFFFAOYSA-N 213.284 2.391 0 40 BEAB COc1nc2cccnc2cc1Br 1772717838 DVIVTSWBCOLRPO-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB CC(=O)CC[C@H](CC(=O)O)C(C)(C)C 1627008 AOBIQCPWXKKPCH-SECBINFHSA-N 200.278 2.493 0 40 BEAB c1sc(NC2=NCCO2)c2c1CCCC2 1639254 SHHCRZDGVXPDFM-UHFFFAOYSA-N 222.313 2.425 0 40 BEAB CCOC(=O)CCC(=O)c1cccnc1Cl 2392702 HYJCUSFTYDWKMU-UHFFFAOYSA-N 241.674 2.261 0 40 BEAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1CO 2511729 VUYFGGMFZDYXML-SNVBAGLBSA-N 229.320 2.158 0 40 BEAB in-vitro CC(C)[C@](C)(O)C(=O)N[C@@H](C)c1ccccc1 2518261 HXXSZRVCROUSEW-FZMZJTMJSA-N 235.327 2.271 0 40 BEAB O[C@@H](c1ccncc1)C(F)(F)C(F)(F)F 4244915 GHROSUKBCNXPBP-LURJTMIESA-N 227.132 2.313 0 40 BEAB CCOc1ccccc1CNCCCOC 13717973 ZTEAGGSMLLANBU-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB NC[C@@H](c1ccco1)N1CCCCCC1 19702321 LKCYAUMUKKLMBY-NSHDSACASA-N 208.305 2.155 0 40 BEAB Fc1ccccc1-n1ncc2c(S)ncnc21 19723905 YRINEDRSEBWEQJ-UHFFFAOYSA-N 246.270 2.243 0 40 BEAB Cc1ccc([C@H](N)Cn2ccnc2)c(C)c1 23068836 VUMKZWMTVQZXOG-CYBMUJFWSA-N 215.300 2.200 0 40 BEAB NCCc1ccc(F)cc1Br 30678549 BIPYEGPHPNEAQL-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB O=C(O)C(O)(c1ccsc1)c1ccsc1 39274462 LPRPEPVLUJPOFT-UHFFFAOYSA-N 240.305 2.130 0 40 BEAB O=C(O)C1(c2c(F)cccc2F)CCC1 40447870 DYFCQGKQXNYJNN-UHFFFAOYSA-N 212.195 2.471 0 40 BEAB O=C(O)C[C@@H]1CCCN1C(=O)C1CCCCC1 42144181 NEOXUKZCJYPCPM-NSHDSACASA-N 239.315 2.032 0 40 BEAB CCc1nccn1-c1ccccc1C(=O)O 42420148 GFXHMKFHNVYLKU-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB C[C@@H](CC(=O)O)C(=O)c1cccc(F)c1 43369347 CNNODSOXSKAMFH-ZETCQYMHSA-N 210.204 2.119 0 40 BEAB in-vitro CC(C)(C)OC(=O)Nc1ccc(C(N)=O)cc1 47836836 FTMCDNUPDNJJKU-UHFFFAOYSA-N 236.271 2.133 0 40 BEAB NC[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 54586834 YLAYUIMEMDLUBM-SCZZXKLOSA-N 213.227 2.350 0 40 BEAB CC(C)(CN)Oc1cc(F)cc(F)c1 54934436 JZJWBJNYSITKQL-UHFFFAOYSA-N 201.216 2.081 0 40 BEAB C[C@@H](O)[C@@H](CCCc1ccccc1)C(=O)O 59705278 LXZZBKVFUSJZKV-ZYHUDNBSSA-N 222.284 2.091 0 40 BEAB in-vitro Cn1cc(CNCc2csc(C3CC3)n2)cn1 69876753 QYJCWALHCMCNPV-UHFFFAOYSA-N 248.355 2.044 0 40 BEAB CC(C)c1cc(C(=O)N2CCCCC2)nn1C 74621241 GGBZVLYTPGJUBT-UHFFFAOYSA-N 235.331 2.170 0 40 BEAB O=C(O)Cn1c(C2CC2)nc2cccc(F)c21 75974410 FSRCQTMLFFVUID-UHFFFAOYSA-N 234.230 2.137 0 40 BEAB COC(=O)c1cn2c3c(cccc13)CCC2 89219607 UHXYXGAGZRDGPY-UHFFFAOYSA-N 215.252 2.374 0 40 BEAB CCSCCS[C@@H](C)C(=O)OC 95963245 DGUNHOFENIGTSU-ZETCQYMHSA-N 208.348 2.034 0 40 BEAB O=C(Nc1cccc(CO)c1)C1=CCCC1 95977686 FCNMDVXFFRMAAK-UHFFFAOYSA-N 217.268 2.228 0 40 BEAB C[C@@H](CO)S[C@@H](C)c1nc(C2CC2)no1 96430370 ZWRLOUUJVWGEAB-BQBZGAKWSA-N 228.317 2.122 0 40 BEAB C[C@@H]1C[C@@H](OC(=O)[C@H](C)O)CC(C)(C)C1 118055568 SRJOJNGMYPRTOL-KXUCPTDWSA-N 214.305 2.125 0 40 BEAB in-man CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC[C@H](C)O 131758573 YPLFTNWYFSSQHA-ZDEQEGDKSA-N 213.365 2.418 0 40 BEAB CC(=O)c1ccc(N)cc1OC(F)(F)F 199544240 DJOIRJDBONWDIQ-UHFFFAOYSA-N 219.162 2.370 0 40 BEAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 245224821 FVDCYOGKIQCTKH-FXQIFTODSA-N 221.222 2.101 0 40 BEAB CCCn1nc(C)cc1CNc1cn(C)nc1C 256050565 FNSXOSCPBWIZOI-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB Cc1cn(C)nc1NCc1ccccc1C(=O)O 256051735 KJMXEGDKFIMBAX-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2)n1 257264651 LVLFIALBBHLRND-JTQLQIEISA-N 244.298 2.173 0 40 BEAB CN1CCC[C@@H](c2cccc3nccn23)C1 257326719 WYHSVWHQSPTQPP-LLVKDONJSA-N 215.300 2.144 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](N)CC1 263616480 IYBJCNYCFNJFKQ-MGCOHNPYSA-N 228.336 2.123 0 40 BEAB FC[C@H]1CCN(c2cnc3ccccc3n2)C1 407947273 AABFOGZWYGVPSQ-SNVBAGLBSA-N 231.274 2.426 0 40 BEAB CCCCN(C[C@@H]1CNC(=O)O1)c1ccccc1 408729024 AFSHIBXVCPBURW-ZDUSSCGKSA-N 248.326 2.402 0 40 BEAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 218095 KZLUGLBSRLDCHB-GXSJLCMTSA-N 246.310 2.027 0 40 BEAB Cc1cccc(Nc2ncnc3c2cnn3C)c1 1298979 MLUHWTUFJZKUST-UHFFFAOYSA-N 239.282 2.415 0 40 BEAB CSc1nccc(=O)n1-c1ccccc1F 1560596 PCRAYWOXYGXYNF-UHFFFAOYSA-N 236.271 2.094 0 40 BEAB CCOC(=O)C(CC)(C(=O)OCC)C(C)C 1680353 KRUDPAOHEFAZDK-UHFFFAOYSA-N 230.304 2.165 0 40 BEAB O[C@H]1COc2ccc(Cl)cc2CSC1 1724580 OSXWSMBKKVLICS-VIFPVBQESA-N 230.716 2.327 0 40 BEAB CCCNC(=O)Nc1cccc(C(=O)OC)c1 3171227 ISFOKSMLTCFVRN-UHFFFAOYSA-N 236.271 2.005 0 40 BEAB COc1nc(-c2ccc(C)cc2)oc(=O)c1C 5794954 QSXJLYCMMINFQL-UHFFFAOYSA-N 231.251 2.327 0 40 BEAB Cn1cc(C(=O)NC2CC2)c2ccccc21 8077273 OFDLUBHPGBSADM-UHFFFAOYSA-N 214.268 2.071 0 40 BEAB CC(C)(C)c1ccc(NC(=O)CCN)cc1 8732983 AKSAQUQTLFMXLD-UHFFFAOYSA-N 220.316 2.271 0 40 BEAB CCOC(=O)/C=C/c1cccc(C(C)=O)c1 11690332 ZVELQYLDAYQUHI-BQYQJAHWSA-N 218.252 2.466 0 40 BEAB CCC[C@H](O)[C@]1(C)CC[C@@H](C(=O)O)C(C)(C)O1 13404625 XRVXEMNLTYHFFR-KWBADKCTSA-N 244.331 2.196 0 40 BEAB biogenic CC(C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 15554525 NAOLHRIHJPKZAN-NSHDSACASA-N 239.702 2.168 0 40 BEAB C[C@H](c1nnc(S)n1-c1ccccc1)N(C)C 19229945 OJONJYAZSYAMQP-SECBINFHSA-N 248.355 2.179 0 40 BEAB CCc1ccc(OCCNC[C@@H]2CCCO2)cc1 19737891 APQOPUMKMWQXNP-HNNXBMFYSA-N 249.354 2.396 0 40 BEAB CC(C)NC(=O)c1cc2cc(F)ccc2[nH]1 20028329 PTJPSUPGNKXEJF-UHFFFAOYSA-N 220.247 2.445 0 40 BEAB Cc1c(N)cccc1NC(=O)c1cccnc1 21960891 CJQOMPJESVUDCY-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1C 32720104 IIWCBLLFMBHLDE-CYBMUJFWSA-N 247.338 2.148 0 40 BEAB O=C(CCc1ccsc1)Nc1cn[nH]c1 40087186 VGQNVNJHMZUWLL-UHFFFAOYSA-N 221.285 2.043 0 40 BEAB CNC(=O)Cc1nc(-c2cccs2)oc1C 40487934 LEQSIFIRULIKIP-UHFFFAOYSA-N 236.296 2.000 0 40 BEAB Cc1ccc(CNC(=O)c2csnc2C)o1 40757299 FSQBRPRORTYAFT-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB CNC(=O)N1CCCCC[C@H]1c1ccncc1 46905955 MHSXNOGHFSXWDH-LBPRGKRZSA-N 233.315 2.338 0 40 BEAB CCN(CC)C(=O)C(=O)Nc1c(C)cccc1C 48724831 UNCQIFHVRWYGHM-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB CC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 49227231 RHWTXNOJWHGITQ-JTQLQIEISA-N 246.310 2.011 0 40 BEAB Cc1nn(-c2cccc(F)c2)cc1C=O 49668203 KSZPBWLTLICSHJ-UHFFFAOYSA-N 204.204 2.132 0 40 BEAB CCc1ccc(-c2cc(CNC)n[nH]2)cc1 50478972 AVCUJNGGVINMKI-UHFFFAOYSA-N 215.300 2.359 0 40 BEAB CO[C@H](C)C(=O)N1CCC[C@@H]1C1CCCC1 56035454 VANPDXBSBXOEAL-ZYHUDNBSSA-N 225.332 2.203 0 40 BEAB Cc1cc2ncn(C[C@H](N)C3CC3)c2cc1C 69076956 RGSOVRILCBJWCO-LBPRGKRZSA-N 229.327 2.390 0 40 BEAB in-vitro CC(=O)c1ncc(-c2ccccc2)n1C 75844442 CPZRUVUCDAEGGV-UHFFFAOYSA-N 200.241 2.290 0 40 BEAB CCc1ccccc1N(CC)CC(=O)O 76583986 BBMXBJGRQWGYLH-UHFFFAOYSA-N 207.273 2.160 0 40 BEAB C(=C/c1ccccc1)\CCN[C@H]1CCCNC1 79439249 ZXOMGXZWDRHMEO-ULYATVDSSA-N 230.355 2.432 0 40 BEAB Nc1ncc2c(n1)-c1ccccc1CCC2 82442055 YQCYMVOYDDABJF-UHFFFAOYSA-N 211.268 2.215 0 40 BEAB Cc1cc(C[C@@H](C)N)nc2ccccc12 82780276 VPDRPPJJAAPPFR-SNVBAGLBSA-N 200.285 2.433 0 40 BEAB c1cc(CNCCOCC2CC2)c2[nH]ncc2c1 84023339 GZIMQCUOHOWVJE-UHFFFAOYSA-N 245.326 2.079 0 40 BEAB C/C=C/C=C/C(=O)NC(C)(C)C(C)(C)C(=O)O 87622623 JWMBSFMTRPJCIS-BLHCBFLLSA-N 239.315 2.124 0 40 BEAB c1ccc2cc([C@@H]3CNCCN3)ccc2c1 95067849 DNMNNHMPDTUAFG-AWEZNQCLSA-N 212.296 2.074 0 40 BEAB in-vitro CC[C@@H](SC[C@H](O)CO)c1ccccc1 95407548 ORCFUUSYTLRTGF-VXGBXAGGSA-N 226.341 2.224 0 40 BEAB C[C@H]1CCCC[C@@H]1NCCSCCCO 95421994 RXJGGMILHZTIAR-RYUDHWBXSA-N 231.405 2.270 0 40 BEAB N#C/C(=C\c1csc(-c2ccco2)n1)C(=O)O 96401880 OFYMTTZEJUFJGT-QPJJXVBHSA-N 246.247 2.395 0 40 BEAB CN(C[C@@H]1CCOC1)OCc1ccccc1 96485592 LCGWSPCTHIRVJD-ZDUSSCGKSA-N 221.300 2.087 0 40 BEAB Clc1nc(-c2ccccc2)cn2nncc12 96517114 YIFXZGWFFDRJIF-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB CCCn1cc(NCc2ccco2)cn1 124869164 LMPXTRDXCZNKMG-UHFFFAOYSA-N 205.261 2.498 0 40 BEAB COc1cc([C@@H](O)C(F)(F)F)ccc1F 197838946 UZGRZOARWCKUEH-MRVPVSSYSA-N 224.153 2.430 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]2C(=O)CC[C@@H]21 202667196 IEBFVLGHXSDASG-ZJUUUORDSA-N 239.315 2.365 0 40 BEAB Cc1cc(N[C@H](C(=O)O)C(C)C)ccc1N 223771265 FRWQUWWFMFOGPM-NSHDSACASA-N 222.288 2.098 0 40 BEAB CCN(CC)c1ccc(C(=O)NC(C)C)cc1N 225436117 SFGDHNJRPSUIDS-UHFFFAOYSA-N 249.358 2.253 0 40 BEAB CCNC(=O)c1snnc1-c1ccc(C)cc1 225772413 UEFKIHVZGMMAHV-UHFFFAOYSA-N 247.323 2.263 0 40 BEAB Cc1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C 335208603 FVMCYPUKMIYESG-SNVBAGLBSA-N 234.347 2.140 0 40 BEAB c1ccc2c(O[C@@H]3CCOC3)ccnc2c1 585652311 XCEZQLKMQUSJTM-SNVBAGLBSA-N 215.252 2.403 0 40 BEAB CSCc1ccn([C@@H]2CCCCO2)n1 1565505018 UAJHTRMMDVGMGV-JTQLQIEISA-N 212.318 2.445 0 40 BEAB COC(=O)c1cnc(C2CCCCC2)cn1 1776011388 BVLVWBFZRAURBI-UHFFFAOYSA-N 220.272 2.311 0 40 BEAB Cc1[nH]cnc1CN1CCc2ccccc2C1 216852 YMDNLKUYUOOVMM-UHFFFAOYSA-N 227.311 2.276 0 40 BEAB in-vitro Cc1c(Cl)cccc1Nc1nccc(=O)[nH]1 935702 OXLQKYACAMBCSN-UHFFFAOYSA-N 235.674 2.475 0 40 BEAB Nc1nc(-c2ccc(Cl)c(Cl)c2)n[nH]1 3723266 KNQIWEIFYNWGJN-UHFFFAOYSA-N 229.070 2.361 0 40 BEAB CCC[C@H](O)[C@](O)(CC)c1ccc(OC)cc1 3845073 MIOADXDWQIJHDT-KBPBESRZSA-N 238.327 2.454 0 40 BEAB biogenic COc1cc2c(cc1/C=C/C(=O)O)O[C@@H](C)C2 4204634 PHKOSLCCKOCYJP-RTMURIBGSA-N 234.251 2.116 0 40 BEAB Nc1cccc2[nH]c(C(F)(F)F)nc12 4343165 YNDFTOVUTRBOPA-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB Cc1cc(C)n(-c2nc(=S)cc(C)[nH]2)n1 6059800 BNHZOCIYLZBWQN-UHFFFAOYSA-N 220.301 2.250 0 40 BEAB COc1cc(NC(=O)[C@H]2C[C@H]2C)cc(OC)c1 6385965 YQRKNUWRPNIAAQ-PELKAZGASA-N 235.283 2.298 0 40 BEAB Cc1ccc(N)c(OC[C@H]2CCCO2)c1 14629706 UIGLNHKUZFXTLT-SNVBAGLBSA-N 207.273 2.135 0 40 BEAB in-vitro O=C([C@@H]1OCCc2ccccc21)N1CCCCC1 16857417 KQXOERSNNFSOLI-CQSZACIVSA-N 245.322 2.313 0 40 BEAB O=C(CCc1cccs1)Nc1nncs1 21214415 LHHBHCLCUPVHOG-UHFFFAOYSA-N 239.325 2.171 0 40 BEAB CCN(CC)[C@H](CN)c1cccc(F)c1 22172301 RSVDJBPUBHVGLL-GFCCVEGCSA-N 210.296 2.167 0 40 BEAB CN1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 34453824 OUPOBONEBFRSPF-GJZGRUSLSA-N 230.355 2.213 0 40 BEAB CCCN(CCC)CCC1CCNCC1 34972534 KMVLCRUSPQVYAO-UHFFFAOYSA-N 212.381 2.498 0 40 BEAB Cc1ccc(CN(C)C(=O)c2cccnc2)o1 40459494 WMKZNIOEHBPGMH-UHFFFAOYSA-N 230.267 2.255 0 40 BEAB O=C(O)CC1(c2ccccc2F)CCOCC1 41279797 ILUXTFPYRHOHAW-UHFFFAOYSA-N 238.258 2.349 0 40 BEAB Cc1nccn1-c1ncnc2c(F)cccc12 41495727 BHTKLZOPBZWUGW-UHFFFAOYSA-N 228.230 2.263 0 40 BEAB O=C(O)CNCc1ccc(-c2ccccc2F)o1 41689137 FHCMXOKZHFIXDN-UHFFFAOYSA-N 249.241 2.260 0 40 BEAB CCOc1ccc(C[C@@H]2CCNC2)cc1 42784209 JJODWGVQPYJMTJ-LBPRGKRZSA-N 205.301 2.237 0 40 BEAB COc1ccc(COC[C@@H]2CCCNC2)cc1 43471913 QDDJQQCJZGEUPY-CYBMUJFWSA-N 235.327 2.211 0 40 BEAB COC(=O)c1cccc([C@@H]2CCCCN2)c1 44135435 SGQRPGAFXLWANY-LBPRGKRZSA-N 219.284 2.288 0 40 BEAB Cc1ccc(CNC(=O)CCC(C)C)cn1 47556797 SAZSUZIFJGDRCX-UHFFFAOYSA-N 220.316 2.442 0 40 BEAB CCNc1ncc(C(=O)NC2CC2)cc1Cl 50725545 CRCKAFUIRVOVKA-UHFFFAOYSA-N 239.706 2.059 0 40 BEAB Cc1cnn(CCNCC2CCCCC2)c1 53534667 QSVHNDYSQIPOKH-UHFFFAOYSA-N 221.348 2.361 0 40 BEAB COC(=O)c1ccc2ccc(F)cc2n1 62569259 ZSOAFYIFPYCZEI-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB Clc1ccc(Cl)c(CN[C@H]2CCNC2)c1 72203639 GEKKQTZSFZPESS-JTQLQIEISA-N 245.153 2.445 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 72207039 BCXDKAVVMHYQOS-BDVNFPICSA-N 203.163 2.126 0 40 BEAB CN(C)C(=O)C[C@H](c1ccccc1)[C@H]1CCCN1 72208322 GMIWDRXKQPCEEO-ZIAGYGMSSA-N 246.354 2.001 0 40 BEAB C/C=C/C(=O)OCC(F)(F)C(F)F 72265741 BNMLMDYKLCGBCC-NSCUHMNNSA-N 200.131 2.006 0 40 BEAB CCn1nc(C)c(C(=O)O)c1C(F)(F)Cl 75767009 WJGIVDKQPRNGEU-UHFFFAOYSA-N 238.621 2.198 0 40 BEAB in-vitro COC(=O)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 84199438 VIIDTQNSMYMAIY-DTWKUNHWSA-N 212.289 2.191 0 40 BEAB CC[C@H](CCO)NC(=O)[C@H](CC)c1ccccc1 84733328 QPVWTYMPZPFXNL-ZIAGYGMSSA-N 249.354 2.457 0 40 BEAB Cc1nn(-c2ccccc2C(F)(F)F)nc1N 89261923 XYIKGEFSIPPZTI-UHFFFAOYSA-N 242.204 2.177 0 40 BEAB C[C@@H](CN)Cc1cccc(OC(F)F)c1 89262724 DOVAKENMPXSWAP-MRVPVSSYSA-N 215.243 2.425 0 40 BEAB NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89873177 ZPEWUQAIHOXBNF-STQMWFEESA-N 211.264 2.429 0 40 BEAB COc1ccc(N)cc1OC(F)(F)F 90548108 SUHKHUKMTRYZOA-UHFFFAOYSA-N 207.151 2.176 0 40 BEAB CCN(CCC1CC1)C(=O)CCCn1ccnc1 95940532 FDONMWWUZNJZPI-UHFFFAOYSA-N 249.358 2.312 0 40 BEAB COCc1cccc(NC(=S)NC2CC2)c1 95948698 AZTQBGURZSGCCQ-UHFFFAOYSA-N 236.340 2.282 0 40 BEAB CN1CCC(=CC(=O)NCCC2=CCCC2)CC1 96012465 MUYMPHQISUEDCE-UHFFFAOYSA-N 248.370 2.255 0 40 BEAB CC[C@H](NCc1ncc(C)o1)[C@H]1CCCO1 96013921 UPUZMJRYQFYLLZ-WDEREUQCSA-N 224.304 2.030 0 40 BEAB CC(C)=CC(=O)N(CC(=O)O)Cc1ccccc1 96402457 VEHCHIQSSIBHJJ-UHFFFAOYSA-N 247.294 2.066 0 40 BEAB Cc1noc(C)c1C(=O)OCC1CCC1 96442563 BOVYRKSRSURKEQ-UHFFFAOYSA-N 209.245 2.248 0 40 BEAB CCC(C)(C)OC(=O)c1cccc(C(=O)NC)c1 97049084 JHYHJBZIUQCAEE-UHFFFAOYSA-N 249.310 2.392 0 40 BEAB CCCn1cc(CN2CCCSCC2)cn1 97113628 FWBNFYFNJDIWJW-UHFFFAOYSA-N 239.388 2.232 0 40 BEAB CC[C@H](NCCn1ccnc1)c1nccs1 97373861 XZPKDBKEFWOEQE-JTQLQIEISA-N 236.344 2.081 0 40 BEAB CC(=O)OCC12CO[C@](C)(C[C@@H]1C)C[C@H]2C 100743147 XUKHTJZFVQWUKR-QIPXWKBWSA-N 226.316 2.391 0 40 BEAB NC(=O)Nc1cc(F)cc(Br)c1 169800122 VEFYOGVYBHDQNB-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 216341422 KAAUCJZOUPNSRN-YTLHQDLWSA-N 205.179 2.350 0 40 BEAB Cc1coc2c1[C@H](O)C[C@H](C(F)F)C2 217646179 VUCZSEHWJVOHSS-NKWVEPMBSA-N 202.200 2.449 0 40 BEAB COC[C@@]1(c2ccccc2)CC[C@@H](N)C1 217812436 XSPOKWJVSZYKEQ-CHWSQXEVSA-N 205.301 2.082 0 40 BEAB C[C@H]1CCCCN1Cc1cccc(OCCN)c1 218746628 GPRYBQHUVNBICF-ZDUSSCGKSA-N 248.370 2.399 0 40 BEAB Cc1cccc(OCCNC(=O)C(C)C)c1C 223970531 JMOJQSVHJDPWHH-UHFFFAOYSA-N 235.327 2.454 0 40 BEAB c1ccc(CCN2CCN[C@@H]3CCC[C@@H]32)cc1 225715330 YOPZJKSQSZBINE-CABCVRRESA-N 230.355 2.055 0 40 BEAB CN[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 242687839 UXCMOYRSKKQIHL-XYPYZODXSA-N 242.363 2.384 0 40 BEAB Cc1cc(C(F)(F)F)ncc1[C@H](C)N 258833859 MPLKTTWICCBOCN-LURJTMIESA-N 204.195 2.429 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](N)CC[C@H]21 306488417 RJIUIJWKWRYISX-GMTAPVOTSA-N 240.347 2.123 0 40 BEAB CCC(=O)Nc1cn(C)nc1-c1ccco1 529841923 RGTKPZVVOHSYBC-UHFFFAOYSA-N 219.244 2.029 0 40 BEAB CC(=O)NCc1ccc(-c2ccoc2)o1 575609288 ANOUOAQGYQFQJE-UHFFFAOYSA-N 205.213 2.176 0 40 BEAB CCOC(=O)Nc1ccc(Br)cn1 50101 SJKTUPAXGHJDEB-UHFFFAOYSA-N 245.076 2.413 0 40 BEAB Cc1cccc(OCC(=O)NC(C)(C)C)c1 580926 IPONZDZVHAPPMU-UHFFFAOYSA-N 221.300 2.289 0 40 BEAB CN(C)CCC(=O)c1ccccc1Cl 1691052 MERTXJZVANXCIY-UHFFFAOYSA-N 211.692 2.474 0 40 BEAB O[C@@H](c1ccc2ccccc2n1)[C@@H]1CCCCN1 1730922 LSNMFZBXDRDBIG-DZGCQCFKSA-N 242.322 2.410 0 40 BEAB COCCNC(=O)c1cc(Cl)ccc1Cl 4671897 IGTJEDZEGDQBOG-UHFFFAOYSA-N 248.109 2.370 0 40 BEAB CC(=O)[C@H](C)CCO[C@]1(C)OCC[C@H]1C 4976406 OQTJPVDUVXPFKJ-CKYFFXLPSA-N 214.305 2.391 0 40 BEAB in-vitro C[C@H]1CCCC[C@H]1NC(=O)c1ccccn1 6436265 DJHZNCXSQOFNIK-WDEREUQCSA-N 218.300 2.390 0 40 BEAB O=C(O)CCc1c(F)cccc1Cl 8019367 IJIZOJZUZZTIDJ-UHFFFAOYSA-N 202.612 2.496 0 40 BEAB in-vitro CCOc1oc(-c2ccco2)nc1C(=O)O 9690947 NDWPEVUEZXXLSB-UHFFFAOYSA-N 223.184 2.032 0 40 BEAB in-vitro Cc1cccc([C@@H]2CCCN2CC(=O)O)c1 12397307 ALCVBOUDRXNVHF-LBPRGKRZSA-N 219.284 2.217 0 40 BEAB COC(=O)[C@@H]1Cc2ccc(C)cc2S1 12980011 JUNBHEYULBVUEX-JTQLQIEISA-N 208.282 2.185 0 40 BEAB O=c1ccc2cc(O)c3occc3c2o1 14453136 ZKCVFMVZXPEHMD-UHFFFAOYSA-N 202.165 2.245 0 40 BEAB biogenic,in-vitro Cc1ccc(-c2cc(C(=O)O)nn2C)c(C)c1 15015276 DQFUFACTDJJENI-UHFFFAOYSA-N 230.267 2.402 0 40 BEAB C[C@H](CCc1ccc(OC(F)F)cc1)NN 19399446 IDGSUKWULMFTSI-MRVPVSSYSA-N 230.258 2.072 0 40 BEAB CC(C)CC(=O)Nc1ccc(F)cc1N 20157318 XJPGXANVOHMAEO-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB C[C@H]1CCCN(C(=O)Nc2cccnc2)C1 24535531 GTDJMJKDSOVCGW-JTQLQIEISA-N 219.288 2.345 0 40 BEAB CC1CCN(c2ccnc(Cl)n2)CC1 24747341 LQEQJGAJOSEQFL-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB CCCn1ccc2c(O)cccc2c1=O 26421371 NAZDTCOZWQNPGX-UHFFFAOYSA-N 203.241 2.117 0 40 BEAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)C1CC1 29728988 LCSKDHAOQPQIAV-VHSXEESVSA-N 233.315 2.240 0 40 BEAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc[nH]c1=O 31384913 NXORIIFNRQVBQN-JQWIXIFHSA-N 248.326 2.026 0 40 BEAB CN(C)C(=O)c1csc(-c2ccco2)n1 32753167 VQWKMPJXWDQAHR-UHFFFAOYSA-N 222.269 2.105 0 40 BEAB COc1ccc2c(c1)C(CC(=O)O)=C(C)C2 34191698 ZDWQHACRQPVJEQ-UHFFFAOYSA-N 218.252 2.500 0 40 BEAB in-vitro O=C(NCCc1ccsc1)c1ccncc1 36395765 BCGQCBPZIBHYFE-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB CC(C)[C@H](C)N[C@H](C)c1nnc2ccccn12 36969005 NEFNANGNQCAHHR-WDEREUQCSA-N 232.331 2.424 0 40 BEAB Cc1cc(CSc2nnc(C)s2)on1 40473936 TYGKJZCVOPCAIP-UHFFFAOYSA-N 227.314 2.435 0 40 BEAB C1CCC(N2CCC3(CC2)NCCS3)CC1 43827911 DSZWHJBBPUPNHH-UHFFFAOYSA-N 240.416 2.448 0 40 BEAB CN(CCO)Cc1ccc(Cl)c(Cl)c1 49633344 UPTZXWDOZCFQJA-UHFFFAOYSA-N 234.126 2.418 0 40 BEAB CCc1cc(=O)[nH]c(-c2ccnc(Cl)c2)n1 57218690 SKRMXIZHRLRCHG-UHFFFAOYSA-N 235.674 2.048 0 40 BEAB in-vitro COc1cc(C)c(Br)cc1C(=O)O 60115269 JQSRUIYBQNPWQR-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB CCS(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 70248355 XYDXIWJHXDLXRO-SECBINFHSA-N 245.319 2.168 0 40 BEAB O=C(Nc1ccc2c(c1)CCCN2)c1ccon1 71214690 LKAGRXSUYVNIAY-UHFFFAOYSA-N 243.266 2.285 0 40 BEAB Cn1ccc2c(-c3cc(CO)ccn3)ccnc21 72147571 CNGPIHKQEWBHAE-UHFFFAOYSA-N 239.278 2.128 0 40 BEAB CCOc1ccc([C@@H]2CCCN2C(C)=O)cn1 72211772 CUGNKSWRMGGDHI-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB COc1ccccc1OC[C@@H]1CCCN(C)C1 72367685 UOPIIEOERRIKDC-GFCCVEGCSA-N 235.327 2.416 0 40 BEAB CC(C)(NC(=O)[C@H](O)c1ccccc1)C1CC1 73970367 CCAACLSQVPECAF-GFCCVEGCSA-N 233.311 2.025 0 40 BEAB COc1ccc(F)c(C=O)c1Br 75844165 KJXBFVPVUAXWKZ-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB in-vitro c1ccc(CN(C[C@@H]2CCCN2)C2CC2)cc1 79437981 AXIKROJKPGHWDS-AWEZNQCLSA-N 230.355 2.403 0 40 BEAB CCn1nc(C(C)C)c(Br)c1N 87418755 PXVOWWLZDNQDRM-UHFFFAOYSA-N 232.125 2.371 0 40 BEAB Cc1nc(C2CCCC2)sc1C(N)=O 89559301 PYRCYWNNYKCMQN-UHFFFAOYSA-N 210.302 2.208 0 40 BEAB Cc1ccc([C@H](N)c2n[nH]c(C(C)C)n2)cc1 95534078 KEVOJVWUNFWRQU-NSHDSACASA-N 230.315 2.285 0 40 BEAB CC[C@H](C[C@H](C)CO)Nc1cccc(F)n1 96436788 GTTOLSAKFIFOCH-VHSXEESVSA-N 226.295 2.430 0 40 BEAB Cc1cc(Sc2nc(C3CC3)n[nH]2)nnc1C 97163748 NSQVRNFHXFOXLX-UHFFFAOYSA-N 247.327 2.240 0 40 BEAB CC[C@H](c1ccc(OC)cc1)N(C)CCO 97212872 QFASJXCCQIBJQO-CYBMUJFWSA-N 223.316 2.070 0 40 BEAB c1ccc(Cn2ccnc2-c2ccccn2)nc1 98018803 CLDYEYADDBDBDQ-UHFFFAOYSA-N 236.278 2.388 0 40 BEAB CCCO[C@@H](Cc1ccccc1)C(=O)O 137682587 JNVSNCYKZKYJFM-NSHDSACASA-N 208.257 2.109 0 40 BEAB CCOC(=O)[C@H](Sc1ncc[nH]1)C(C)C 179861914 IDSNQCFURTWGJH-MRVPVSSYSA-N 228.317 2.090 0 40 BEAB CCOC[C@H](O)COc1ccc(C)cc1C 193823663 GUBYHAYQENWXAE-LBPRGKRZSA-N 224.300 2.080 0 40 BEAB Cc1cnc(F)c(CC(=O)OC(C)(C)C)c1 199830044 FNXSWGZMFCGSFA-UHFFFAOYSA-N 225.263 2.413 0 40 BEAB CC[C@H](C)NC(=S)Nc1ncccc1OC 225274380 HLDHVHFQKFXJSG-QMMMGPOBSA-N 239.344 2.175 0 40 BEAB O=C(O)[C@@H]1C[C@@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 225760583 DGBXKFVUWZAVCW-XUTVFYLZSA-N 238.205 2.065 0 40 BEAB Cc1cc(C)nc(NC(=S)NC(C)(C)C)n1 225896946 QQOTZCKJSYOHAB-UHFFFAOYSA-N 238.360 2.178 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@]1(C)CO 238070396 BNMWVRRRNYUWBT-GFCCVEGCSA-N 229.320 2.158 0 40 BEAB C[C@H](N)[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 242400309 ATVUCOFCESBIAI-UWJYBYFXSA-N 203.285 2.072 0 40 BEAB CCN(Cc1ncnn1C)[C@H]1CCCC[C@H]1C 249389361 QNBPOLPSAUQBNX-NEPJUHHUSA-N 236.363 2.216 0 40 BEAB CC(C)(C)OC(=O)[C@]1(N)C[C@H]1c1ccccc1 253179817 BWHFMXFCBHHMIA-FZMZJTMJSA-N 233.311 2.213 0 40 BEAB c1c[nH]c(=NCc2ccc3occc3c2)cn1 351549656 CKHODHZXHFDVLD-UHFFFAOYSA-N 225.251 2.257 0 40 BEAB C[C@@H]1c2ccccc2OCCN1CC1(C)COC1 608561340 GUNAHLHMKVMCND-GFCCVEGCSA-N 247.338 2.479 0 40 BEAB Fc1cncc(C2(C(F)(F)F)N=N2)c1 1504245033 PLPGJHDLNCOQNW-UHFFFAOYSA-N 205.114 2.402 0 40 BEAB CCCn1cc(NC(=O)OC(C)(C)C)c(N)n1 1548918976 ZGHGRLTWDLTXNK-UHFFFAOYSA-N 240.307 2.222 0 40 BEAB CC(C)CCNS(=O)(=O)Cc1ccccc1 30399 GRFYQKJTTUZNFY-UHFFFAOYSA-N 241.356 2.152 0 40 BEAB CC(C)(C)C(=O)CSc1cccc[n+]1[O-] 159525 KBHJMDMBFNOYHC-UHFFFAOYSA-N 225.313 2.027 0 40 BEAB O=C(Oc1ccccc1)n1nnc2ccccc21 837263 JSTOAGAFYLBMKF-UHFFFAOYSA-N 239.234 2.478 0 40 BEAB C[C@H]1CCC[C@H](C)N1NC(=O)C(C)(C)C 1575938 PAGXYRNLMYESJF-UWVGGRQHSA-N 212.337 2.327 0 40 BEAB CCOc1ccc(CCOC(C)=O)cc1 1732399 KIKKSFNBPWDLST-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB COc1ccc(Br)cc1C(N)=S 2654064 DYGLWRWIOCXYPI-UHFFFAOYSA-N 246.129 2.092 0 40 BEAB O=C(O)[C@@H]1CCCN(Cc2ccccc2F)C1 3749315 KOXCBDNTCRUQDS-LLVKDONJSA-N 237.274 2.122 0 40 BEAB c1cnc2nc(-c3ccc4c(c3)OCO4)cn2c1 4024783 SQORVQUIBGFWCS-UHFFFAOYSA-N 239.234 2.125 0 40 BEAB COC(=O)c1ccnc([C@H]2CCCCC2=O)c1 4754184 GRDCCZSONAJHRF-SNVBAGLBSA-N 233.267 2.095 0 40 BEAB CC1=NC2=Nc3ccccc3CN2C(O)=C1 4994165 SJYPQLVAGRBQTK-UHFFFAOYSA-N 213.240 2.364 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)CC12OCC(O)CO2 6030959 GECFTYLLVUKXOY-CQLXCSJHSA-N 228.332 2.183 0 40 BEAB endogenous,in-man O=C(O)c1ccc(NNC2=NCCCCC2)cc1 6251311 SRYNTBQVGKHVQL-UHFFFAOYSA-N 247.298 2.274 0 40 BEAB COc1ccccc1NC(=O)c1cnc(C)cn1 6339737 ZVHGFRNAVRGUFF-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB c1ccc2c(c1)CN(C[C@@H]1CCCO1)C2 9814743 XHJBJCLJNWCFQX-ZDUSSCGKSA-N 203.285 2.181 0 40 BEAB in-vitro CCOC(=O)/C=C\c1ccc(OC(C)=O)cc1 17301517 IFUFLGMRDPXNFA-TWGQIWQCSA-N 234.251 2.188 0 40 BEAB NCc1c[nH]c2cccc(Br)c12 20269179 DNFPTPYVRKXXIO-UHFFFAOYSA-N 225.089 2.389 0 40 BEAB C[C@]1(c2ccncc2)NC(=O)c2ccccc2N1 32666120 LMMCMMIOPGEWKR-CQSZACIVSA-N 239.278 2.110 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccs1 33000379 KWTJHNWOGRMQMV-SCZZXKLOSA-N 209.314 2.363 0 40 BEAB C[C@@H](NCc1csnn1)c1cccc(O)c1 37151707 OYFAXHXCLPSZTQ-MRVPVSSYSA-N 235.312 2.095 0 40 BEAB CN(C)C1(CNC(=O)C(C)(C)C)CCCC1 40523097 HPUAQHWMHYRQBX-UHFFFAOYSA-N 226.364 2.023 0 40 BEAB N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 41030229 QVHOCLHCFGAPHJ-VIFPVBQESA-N 245.248 2.028 0 40 BEAB OC1(C(F)(F)F)Cc2ccccc2C1 43367985 WKGOHENPQPGQRQ-UHFFFAOYSA-N 202.175 2.079 0 40 BEAB CCOC(=O)c1ccc2cccc(O)c2n1 44200537 GWBYQVQAJUJDDO-UHFFFAOYSA-N 217.224 2.117 0 40 BEAB C[C@H](NC[C@@H]1CCCN(C)C1)c1ccccn1 44535407 BCQHUTMQYWHWAV-STQMWFEESA-N 233.359 2.074 0 40 BEAB CCCCNC(=O)c1ccc2c(c1)CCO2 45132143 GZVXBYVKAZVYRG-UHFFFAOYSA-N 219.284 2.151 0 40 BEAB CSCC(=O)NCc1sccc1C 45536669 TYWVTBPCTFEXGU-UHFFFAOYSA-N 215.343 2.036 0 40 BEAB CC[C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219031 LPQFBRZVCFPQSV-ZJUUUORDSA-N 215.337 2.352 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1ccc(C(F)(F)F)cc1 62713787 BBNDOWPZRLHQRV-WDEREUQCSA-N 245.244 2.130 0 40 BEAB COc1cccnc1NC(=O)/C=C/c1ccco1 69559937 PCZABWKQRKTDPE-VOTSOKGWSA-N 244.250 2.335 0 40 BEAB Cc1cn([C@@H](C)c2ccccc2)nc1N 69901992 ZIPICRBLGVTJKQ-JTQLQIEISA-N 201.273 2.383 0 40 BEAB in-vitro C[C@@H](C1CC1)N(C)CC(=O)N1CCCC[C@@H]1C 71838159 LTZBWZMZXFXJMO-RYUDHWBXSA-N 238.375 2.118 0 40 BEAB C[C@@]12CC[C@@H](C[C@@H]1N)[C@@]2(C)CCC(=O)O 72207284 UFZBZBFBJHZVMJ-GAIPPQHRSA-N 211.305 2.005 0 40 BEAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccs1 72304775 UWPICSKCXNDEAQ-IUCAKERBSA-N 240.328 2.031 0 40 BEAB CCN1CCC(c2cc(N(C)C)nc(C)n2)CC1 72361105 YVQHGGLEQRRNJI-UHFFFAOYSA-N 248.374 2.050 0 40 BEAB N[C@@H]1CCCc2n[nH]c(-c3ccccc3)c21 72415319 LRVFYKYPMWPIJC-SNVBAGLBSA-N 213.284 2.413 0 40 BEAB CC(C)(NC(=O)Nc1ccncc1)C1CC1 75490832 VTDWWPUXCULRQQ-UHFFFAOYSA-N 219.288 2.392 0 40 BEAB O=C(O)[C@@H]1CCc2nc(-c3ccccc3)cn2C1 75923255 QSJWQYVPNXIPLW-LLVKDONJSA-N 242.278 2.197 0 40 BEAB O=Cc1cc(F)c(OCC(F)F)c(F)c1 86894857 KWGKVOKWFLEPTH-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB COc1ccccc1[C@H](O)c1cccn1C 95727856 LDVCMEQQQHSADQ-ZDUSSCGKSA-N 217.268 2.115 0 40 BEAB C[C@@H](NCCCOc1ccccc1)[C@H]1CCOC1 95967193 AHNOHUDEUREWOF-KGLIPLIRSA-N 249.354 2.470 0 40 BEAB O=C(COc1ccccc1)Nc1ccncc1F 95975726 UNJITEWRGDUWKW-UHFFFAOYSA-N 246.241 2.238 0 40 BEAB CC(C)(CNCC1(CO)CC1)c1ccccc1 95984293 ZWKOYVOFXTXCNQ-UHFFFAOYSA-N 233.355 2.326 0 40 BEAB CSCCCNC(=O)Nc1ccc(C)cn1 96502460 GIVPVJJSGNRKOL-UHFFFAOYSA-N 239.344 2.265 0 40 BEAB COC(=O)c1cc(OC[C@@H]2CCCO2)cs1 96511067 ATEWUYOCJCGAJG-QMMMGPOBSA-N 242.296 2.093 0 40 BEAB COc1ccc(F)cc1[C@](C)(O)C1CC1 96543382 HTIBOEDSJRFFJL-GFCCVEGCSA-N 210.248 2.452 0 40 BEAB COC(=O)c1cc(NC2CCOCC2)ccc1C 97048922 KMQWZUGSUXFJAT-UHFFFAOYSA-N 249.310 2.373 0 40 BEAB O=C1CCC[C@H]2c3cc(F)ccc3N[C@@H]12 100021631 IHIIJLANCVFABM-QPUJVOFHSA-N 205.232 2.456 0 40 BEAB NCCC12C[C@@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 100097843 HTMFVRGUJSJMSP-WPMGSTCASA-N 223.316 2.006 0 40 BEAB CC1(C)C[C@]23[C@H]4COC(=O)[C@H]2CC[C@@H]1[C@@H]3CC4=O 101184842 BBIDMUQZCCGABN-GPMNSPGJSA-N 248.322 2.191 0 40 BEAB CC(C)[C@@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 108328281 CIAKMBISQNXVMX-CYDGBPFRSA-N 211.349 2.172 0 40 BEAB Cc1ccc(C(=N)N)c(Br)c1 116938174 YPSWPMHRGCOUHQ-UHFFFAOYSA-N 213.078 2.042 0 40 BEAB N=C(N)c1cccc(F)c1C(F)(F)F 199558191 ZVHWEIYYMGRXGC-UHFFFAOYSA-N 206.142 2.129 0 40 BEAB CCn1c(Cc2ccco2)ccc1C(=O)OC 226031183 SHXMGNFLYCQZAV-UHFFFAOYSA-N 233.267 2.478 0 40 BEAB Cc1ccc(C=O)n1Cc1cccc(C(=O)O)c1 226032620 YKXZJCZNZXCWAB-UHFFFAOYSA-N 243.262 2.356 0 40 BEAB Cc1cn([C@@H](C)CC(=O)O)nc1C(F)(F)F 408717010 UTGJTXFYYYNKTD-LURJTMIESA-N 236.193 2.246 0 40 BEAB COc1ccc2c(c1)OCc1sc(=N)[nH]c1-2 408721895 BDXAZXSLWZRYKU-UHFFFAOYSA-N 234.280 2.124 0 40 BEAB Cc1ccc(N[C@H]2C=CS(=O)(=O)[C@@H]2C)cc1 575419521 BLZAVRNYUJVOKP-PWSUYJOCSA-N 237.324 2.106 0 40 BEAB Cc1ncnc(C(=O)Nc2cccc(F)c2)c1C 1888857267 ZCVDWPWBFSMISI-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB O=c1oc(-c2ccccn2)nc2ccccc12 127372 ZQENRMYLXUZWPI-UHFFFAOYSA-N 224.219 2.250 0 40 BEAB Cc1cccc2c(CCC(=O)O)c[nH]c12 1564645 ITGAJZHXKNHAMK-UHFFFAOYSA-N 203.241 2.494 0 40 BEAB in-vitro COc1ccc(C)cc1CCCC(=O)O 1722300 QWXBQKDUQJHCEZ-UHFFFAOYSA-N 208.257 2.411 0 40 BEAB COc1cccc(C=O)c1OC(F)F 3278006 DDAGGCKTGNIEIG-UHFFFAOYSA-N 202.156 2.109 0 40 BEAB in-vitro COc1cc2c(cc1CCC(=O)O)CCC2 4985971 AXZXSKOCTDWZSX-UHFFFAOYSA-N 220.268 2.201 0 40 BEAB Cc1nc2[nH]nc(N)c2c2c1CSC(C)(C)C2 6621890 VUZZLASUFWGCGF-UHFFFAOYSA-N 248.355 2.416 0 40 BEAB O=C(O)CSCc1c[nH]c2ccccc12 9226777 ZYOBRMAFGDNIOK-UHFFFAOYSA-N 221.281 2.486 0 40 BEAB Oc1ccc(-c2cc(O)cc(O)c2)cc1 13377095 HSZOQEGJICWJDP-UHFFFAOYSA-N 202.209 2.470 0 40 BEAB endogenous,in-man Nc1cccc(Cl)c1OC[C@H]1CCCO1 14629217 LEFOYQWVEPKGCG-MRVPVSSYSA-N 227.691 2.480 0 40 BEAB Oc1n[nH]c2cc(Br)cc(F)c12 14984012 YFEQEVZZMXXXTC-UHFFFAOYSA-N 231.024 2.170 0 40 BEAB in-vitro Cc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1 16292066 NFFRGKCNBKORBR-UHFFFAOYSA-N 242.282 2.049 0 40 BEAB CCC(=O)O[C@H]1CCCC[C@H]1OC(=O)CC 17313604 AKXRYWQJYQZENW-AOOOYVTPSA-N 228.288 2.204 0 40 BEAB CCC1(CC)[N+]([O-])=C(C)C(c2ccccc2)=[N+]1[O-] 19331186 PDRVEKDWFVHSDM-UHFFFAOYSA-N 246.310 2.487 0 40 BEAB CCOC(=O)C1=C(N)S[C@@H]2CCCC[C@H]12 19626546 MHLOZPWQZPKMGT-JGVFFNPUSA-N 227.329 2.025 0 40 BEAB COc1ccc([C@H](CN)C(C)C)cc1OC 19726154 SVXBMUBKMIIITD-LLVKDONJSA-N 223.316 2.402 0 40 BEAB CC(C)CNC(=O)c1cc(-c2cccnc2)on1 20468626 XQTVYMHPRNGVDC-UHFFFAOYSA-N 245.282 2.122 0 40 BEAB CCNC(=O)[C@@H](CC)Oc1cccc(C)c1 20482109 HBHRBZNVVUXEQZ-GFCCVEGCSA-N 221.300 2.289 0 40 BEAB c1cncc(-c2nnc(-c3ccoc3)o2)c1 20727698 ILFZWEDGZNBARH-UHFFFAOYSA-N 213.196 2.392 0 40 BEAB COc1cc(Cl)ccc1OC(C)=O 28278215 QGTPWFVCCNXPON-UHFFFAOYSA-N 200.621 2.274 0 40 BEAB Cc1cc(C)cc(OCC[n+]2cccc(O)c2)c1 29563347 LQAWAGTXSZNJES-UHFFFAOYSA-O 244.314 2.376 0 40 BEAB CCOCC(=O)N1CCC[C@@H]2CCCC[C@H]21 32819547 FPCXYDXSFSIYAL-NWDGAFQWSA-N 225.332 2.204 0 40 BEAB C[C@@H](C(=O)NC1CCCCC1)N1CCCCC1 33040168 QHSMLDFEILUCOS-LBPRGKRZSA-N 238.375 2.310 0 40 BEAB CCOC(=O)CC(=O)/C=C/c1ccc(OC)cc1 34445558 DEWQNTQEHCLPTA-QPJJXVBHSA-N 248.278 2.231 0 40 BEAB NC[C@H]1CCCC[C@H]1OCC(F)(F)F 35235899 NGVIRIIQGBINNV-HTQZYQBOSA-N 211.227 2.083 0 40 BEAB in-vitro CC(C)C(=O)c1ccc2c(c1)CC(=O)N2 36942221 IQIDDBVUJUYFIK-UHFFFAOYSA-N 203.241 2.020 0 40 BEAB Cc1cc(CN2C[C@@H](C)C[C@@H](C)C2)no1 40465736 FPTHTVAYBCFPPD-AOOOYVTPSA-N 208.305 2.461 0 40 BEAB COc1cc(Cl)c(Cl)cc1C(N)=O 45957412 XBSPFXCWWPVRAX-UHFFFAOYSA-N 220.055 2.101 0 40 BEAB C[C@H]1C[C@@H]1NCc1cc2ccccc2nc1O 52272070 BVQQDSVKWBOVNH-ZANVPECISA-N 228.295 2.438 0 40 BEAB CNC[C@@H]1C[C@H]1c1ccc(OC)cc1OC 54588575 FKZTUXUPAFVPSV-JOYOIKCWSA-N 221.300 2.027 0 40 BEAB CC[C@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C 55276406 UESRQGCIGBGURF-QWRGUYRKSA-N 238.331 2.045 0 40 BEAB CCNC(=O)N[C@H]1C[C@@H]1c1ccc(C)c(C)c1 58163631 PQLSWSQCWAVIJX-OLZOCXBDSA-N 232.327 2.478 0 40 BEAB CCn1nccc1NC(=O)C1CCCC1 58342909 CMNOHXPGDCXJMG-UHFFFAOYSA-N 207.277 2.032 0 40 BEAB O=C(O)[C@H]1CCCC[C@@H]1c1cccnc1 62569309 JVDWCSFNPJYXRT-MNOVXSKESA-N 205.257 2.440 0 40 BEAB COc1ccc([C@H](CN)OC(C)C)cc1OC 62711776 IUFYYRDYOIAOTO-ZDUSSCGKSA-N 239.315 2.129 0 40 BEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccncc2)c1 69453449 XPQZZFUTIBSXCA-OLZOCXBDSA-N 244.342 2.326 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12CCNC2 71373392 HNBZGZYLHSUROS-ZWNOBZJWSA-N 240.347 2.043 0 40 BEAB O=C(c1ccon1)N1CC[C@H]2CCCC[C@H]21 72057293 ZZSDUACRBVLCLG-MWLCHTKSSA-N 220.272 2.079 0 40 BEAB CCCNC(=O)Cc1ccc(OC)c(C)c1 74959602 RTDRJSYTDPOULA-UHFFFAOYSA-N 221.300 2.072 0 40 BEAB OC1(Cc2ccc(F)cc2Cl)CCNCC1 83503966 YPKFVMUPCMEMLP-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CNCCc1ccc(Br)c(OC)c1 84554147 MEGPZCFFHFXIJM-UHFFFAOYSA-N 244.132 2.220 0 40 BEAB CCC[C@@H](C(=O)NC[C@H](C)CO)c1ccccc1 84740467 AKHXAOLGUIZODA-GXTWGEPZSA-N 249.354 2.315 0 40 BEAB COc1c(Cl)ccc(CC(=O)O)c1F 91252023 ISTHAWLIXVWDQR-UHFFFAOYSA-N 218.611 2.115 0 40 BEAB CC(C)[C@@H](NC[C@@]1(O)CCOC1)c1ccccc1 91405810 BDSOMIHMGCWCSD-CABCVRRESA-N 249.354 2.125 0 40 BEAB CC(C)(C)c1nnnn1CCc1cccs1 95467732 UOUCZRHPUCNAHJ-UHFFFAOYSA-N 236.344 2.275 0 40 BEAB Nc1ccccc1OC1CCN(C2CC2)CC1 96526677 KBMLNFOSTKBRMR-UHFFFAOYSA-N 232.327 2.274 0 40 BEAB O=C(c1cscn1)N1C[C@H]2CC=CC[C@H]2C1 98013197 HIDRUNSKDSZYJB-AOOOYVTPSA-N 234.324 2.181 0 40 BEAB O=C1C[C@H]2Sc3ccc(Cl)cc3N=C2N1 101732396 FIBMIUFYLLAFCX-MRVPVSSYSA-N 238.699 2.364 0 40 BEAB O=C1[C@@H]2[C@H]([C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]13)[C@H]1C=C[C@H]2C1 103900400 ZLXHZSNEHVHERY-WOVPAAAZSA-N 212.292 2.446 0 40 BEAB COc1cc(C(=O)O)ccc1OC(F)(F)F 145292771 LJENFHIMQVDYNJ-UHFFFAOYSA-N 236.145 2.292 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1CCC1 149616476 VVQCXDANOVWVQA-VIFPVBQESA-N 243.303 2.107 0 40 BEAB C[C@H]1C[C@@H](O)CCN1Cc1ccccc1F 169169423 MLSVKDSDDNSLIU-JQWIXIFHSA-N 223.291 2.171 0 40 BEAB O=Cc1c(Br)ccc(F)c1O 211908032 HRNLFMAOPJHXEW-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB CNc1nc2cc(Br)ccc2n1C 214477895 OVPJMGBMIDMFOC-UHFFFAOYSA-N 240.104 2.378 0 40 BEAB O=Cc1ccc(OCC(F)(F)F)cc1O 224679717 RDAFVRCXIJMRIM-UHFFFAOYSA-N 220.146 2.146 0 40 BEAB CN(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257270530 MUQHOHPPNYKXCM-AWEZNQCLSA-N 246.354 2.034 0 40 BEAB CC[C@H](C)C1=NN(c2ncccc2F)C(=O)C1 634605678 SZQOXUJRORMNAK-QMMMGPOBSA-N 235.262 2.360 0 40 BEAB Cc1ncc(COc2ccc3c(c2)CCO3)o1 641736564 HKBGPLQCNRYWJH-UHFFFAOYSA-N 231.251 2.497 0 40 BEAB O=C(O)c1c(C(F)(F)F)cc(F)nc1F 675050480 KPGDTTALBAFGCF-UHFFFAOYSA-N 227.088 2.077 0 40 BEAB COC(=O)/C=C/SC(=S)[C@@H]1CCCC1=O 1567298 ILXCOJDMKHJTNG-WEWAHIQMSA-N 244.337 2.103 0 40 BEAB Nc1nc(NCc2ccco2)nc2ccccc12 3084372 RVFTZDVQBKTWGC-UHFFFAOYSA-N 240.266 2.417 0 40 BEAB O=[S@@](NC1CC1)C12CC3CC(CC(C3)C1)C2 4689884 AHRKAXMVRAVRGC-ILKNTTSWSA-N 239.384 2.371 0 40 BEAB C=COCCn1ccc(OC)c1SC 5527618 QNOKZSSYNSOYHT-UHFFFAOYSA-N 213.302 2.379 0 40 BEAB O=C(O)CC[C@H]1CCc2ccccc2C1=O 6252704 JZTDPYMLZXRSQP-SNVBAGLBSA-N 218.252 2.297 0 40 BEAB Cc1ccc(-n2nc(C)c(CCO)c2O)cc1C 9937145 MMDYOWIAVGSXTQ-UHFFFAOYSA-N 246.310 2.038 0 40 BEAB CC(C)NC(=O)Nc1ccc(F)cc1F 10025844 QBBYQRXPTOICCN-UHFFFAOYSA-N 214.215 2.495 0 40 BEAB Cn1ccnc1[C@H](N)c1cccc(Cl)c1 11735200 JEEXKQBWDDVXNT-SNVBAGLBSA-N 221.691 2.122 0 40 BEAB Cn1ncc(Cl)c1[C@H]1CCCCCN1 19288569 KOEIVZDNPNYLIH-SECBINFHSA-N 213.712 2.278 0 40 BEAB O=C1CCCN1CC[C@@H]1CNc2ccccc21 19480263 PPAZUSXZKKRWGI-LLVKDONJSA-N 230.311 2.208 0 40 BEAB in-vitro CC1CCN([C@@H](CN)c2cccs2)CC1 19795718 HJPGNUUFVKJORI-NSHDSACASA-N 224.373 2.480 0 40 BEAB in-vitro CC[C@@H](C)n1cc(Br)c(C(=O)O)n1 20313813 FCLBILHRBPOCRF-RXMQYKEDSA-N 247.092 2.315 0 40 BEAB CCOC(=O)CCc1ccc2c(c1)CCO2 22005728 FBGXCVKXTGMFFA-UHFFFAOYSA-N 220.268 2.117 0 40 BEAB in-vitro C[C@H](N)COc1ccccc1C(F)(F)F 23068683 XRNYDNYFMQCOJD-ZETCQYMHSA-N 219.206 2.431 0 40 BEAB in-vitro Cc1ccsc1C(=O)NCCc1cccnc1 23183250 PGWUMOZETGUUSC-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB COc1ccccc1NCCC(=O)NC(C)C 24969343 PCEUVXQKVQHLMH-UHFFFAOYSA-N 236.315 2.022 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N1CCn2c1nc1ccccc12 29375689 XDFJQIKRBQTLIQ-UWVGGRQHSA-N 241.294 2.039 0 40 BEAB CCOc1ccc([C@@H](CN)N2CCCC2)cc1 32522366 IHSRNHAQSLSZON-CQSZACIVSA-N 234.343 2.181 0 40 BEAB CSCCC(=O)N1CCCC[C@H]1C 33028664 GAXNTOKKNVMPNH-SECBINFHSA-N 201.335 2.141 0 40 BEAB COc1cccc([C@H](O)c2ccccn2)c1 35090270 LWOFVEXVTAOGLJ-ZDUSSCGKSA-N 215.252 2.172 0 40 BEAB COCCNCc1cccn1Cc1ccccc1 35293077 JRESUJPSIDZELW-UHFFFAOYSA-N 244.338 2.272 0 40 BEAB CCN(CC)C(=O)Oc1ccc(C(=O)O)cc1 36657661 DGPAUSSMVIDYGO-UHFFFAOYSA-N 237.255 2.225 0 40 BEAB in-vitro CN(C)[C@@](C)(C(=O)O)c1cccc(Cl)c1 37357923 NIVNKZDEKMEUJP-LLVKDONJSA-N 227.691 2.201 0 40 BEAB COC(=O)[C@@H](C)CNCCCc1ccccc1 37486123 ISHNNDBUVZKUEY-LBPRGKRZSA-N 235.327 2.018 0 40 BEAB c1ccc(Cc2cc(C3CCNCC3)n[nH]2)cc1 38977241 VCGGMSOQSQTWQO-UHFFFAOYSA-N 241.338 2.468 0 40 BEAB COc1ccccc1[C@H](CO)N1CCCCC1 41265837 MNKBSRJRBAODSB-ZDUSSCGKSA-N 235.327 2.215 0 40 BEAB CN(Cc1cccc(F)c1)[C@H]1CCCNC1 43501382 KZDLUXFYCLSDKJ-ZDUSSCGKSA-N 222.307 2.010 0 40 BEAB COCCN(C(=O)c1ccccn1)C1CCCC1 45511642 PLRAAIJMRMCQHA-UHFFFAOYSA-N 248.326 2.113 0 40 BEAB CNC(=O)N1CCCCC[C@@H]1c1ccncc1 46905954 MHSXNOGHFSXWDH-GFCCVEGCSA-N 233.315 2.338 0 40 BEAB C[C@H](CNC(=O)C1CC1)N(C)c1ccccc1 46950961 JDWXLABXSUTCGU-LLVKDONJSA-N 232.327 2.038 0 40 BEAB CCNCc1cc(-c2ccc(C)cc2)n[nH]1 50479010 BDNRMBPDJGSYTH-UHFFFAOYSA-N 215.300 2.495 0 40 BEAB COC1CCN(Cc2ccc(F)cc2)CC1 53906847 PRUMIQQKIVZUKB-UHFFFAOYSA-N 223.291 2.437 0 40 BEAB C[C@@](O)(CN)c1ccc2ccccc2c1 55032575 GKYWFUGZFSNSIK-CYBMUJFWSA-N 201.269 2.006 0 40 BEAB COc1ccc([C@](C)(O)C2CC2)c(OC)c1 55232467 KGECIGOFKXZHHC-CYBMUJFWSA-N 222.284 2.321 0 40 BEAB O=C(Nc1ccncc1)c1ccc2cn[nH]c2c1 60393189 FIOYINOVNHIBBG-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB NC1CCN(Cc2c(F)cc(F)cc2F)CC1 67801014 XHURMVIFJKLNIA-UHFFFAOYSA-N 244.260 2.027 0 40 BEAB CN(CCCO)CCOc1cccc(Cl)c1 69444268 CYYBEHLDICJWQF-UHFFFAOYSA-N 243.734 2.033 0 40 BEAB C[C@](CO)(c1cccs1)N1CCCCC1 70453238 DIIKMBMVOGZIKZ-LBPRGKRZSA-N 225.357 2.442 0 40 BEAB CCOC(=O)C[C@H](NC)c1ccc(C)cc1 72210276 GXTNBUZNTJFFKS-LBPRGKRZSA-N 221.300 2.209 0 40 BEAB CNc1ccc(C2=NCCCC2)c(C)n1 72219111 TYLFNTCAJWNGTR-UHFFFAOYSA-N 203.289 2.405 0 40 BEAB CCOC(=O)c1ccc2[nH]cc(C=O)c2c1 72319797 XMCFLTQKFKSXLX-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB C/C=C/CCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 73726561 FTRNHXYITFKIOM-PORFMDCZSA-N 249.358 2.288 0 40 BEAB NC(=O)Nc1c(F)cccc1Br 75903287 LBOYYHKJBQJANI-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB C[C@@H](CCO)CNC(=O)c1cccc(Cl)c1 84637338 NVGQALCBZQMQJC-VIFPVBQESA-N 241.718 2.088 0 40 BEAB COC(=O)[C@]1(C)O[C@]1(C)c1ccc(C)s1 85657908 KYRMNCDKAOXDCD-MNOVXSKESA-N 226.297 2.234 0 40 BEAB CC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 89735828 GFSCEBAWGKRIDW-SNVBAGLBSA-N 243.310 2.378 0 40 BEAB CNC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 89791407 KBPQTUULSOLHLR-LBPRGKRZSA-N 238.306 2.322 0 40 BEAB CCOCCC1(CNC(=O)C2CCC2)CCC1 89986766 BXGAEGHEBHBKKG-UHFFFAOYSA-N 239.359 2.500 0 40 BEAB CCC(=O)N1C(=S)SC[C@@H]1C(C)C 90412645 LUMSKZAOAHMEGE-SSDOTTSWSA-N 217.359 2.281 0 40 BEAB CC1(C)CCC[C@@H]1NCCCO[C@@H]1CCOC1 95423738 SDZXPSCUEVAPNU-OLZOCXBDSA-N 241.375 2.350 0 40 BEAB COC(=O)c1cncc(NCc2ccccc2)c1 95464180 LHAXMDCYLSPOHM-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB COC(=O)c1c[nH]cc1-c1scnc1C 95883831 SUWIMKYPPCSXMB-UHFFFAOYSA-N 222.269 2.233 0 40 BEAB in-vitro CCCCC[C@@H](NC(=O)C1CCCC1)C(=O)O 95989705 FIXYKUDPWWGLMB-LLVKDONJSA-N 241.331 2.326 0 40 BEAB Cc1ccc(NC[C@H](O)Cc2ccccc2)nc1 96429415 MURRIEJTTNHJLO-CQSZACIVSA-N 242.322 2.406 0 40 BEAB c1ccc([C@H]2OCC[C@H]2NCc2cc[nH]n2)cc1 96447522 AAIIWHXSXTVDNQ-ZIAGYGMSSA-N 243.310 2.030 0 40 BEAB CSCCCNC(=O)Nc1cc(C)ccn1 96502454 GHKBQGASHVJRHN-UHFFFAOYSA-N 239.344 2.265 0 40 BEAB CCOC(=O)c1[nH]nc(OC(C)C)c1Cl 96509293 UPMLVMWYYUQTAI-UHFFFAOYSA-N 232.667 2.027 0 40 BEAB COC(=O)[C@@H](C)SCc1ncccc1C 97165355 SIEBRYRRQKUEKH-SECBINFHSA-N 225.313 2.185 0 40 BEAB O=C(O)CCC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100243583 CKPYPBHTUFDNQS-ITSCGTHASA-N 224.300 2.183 0 40 BEAB Cc1cc(NC(=O)C2[C@@H]3CCCC[C@@H]23)nnc1C 102689891 NEEHWQZUBGIHSR-GHMZBOCLSA-N 245.326 2.468 0 40 BEAB O=C(O)CCc1conc1-c1ccccc1F 169676695 QPWGAZBLNSOKBM-UHFFFAOYSA-N 235.214 2.498 0 40 BEAB CC[C@@H](C(=O)O)N(C)c1ccccc1F 224986611 ZDUJXSQAXOTCHM-VIFPVBQESA-N 211.236 2.125 0 40 BEAB C[C@@H](C(=O)O)N(C)c1ccccc1Cl 224987377 LEJLGTVSDILHLP-ZETCQYMHSA-N 213.664 2.249 0 40 BEAB CCOc1ccccc1C[C@@H](OCC)C(=O)O 225105778 HKHKMVFPCPSPMO-GFCCVEGCSA-N 238.283 2.118 0 40 BEAB CCc1ccc(CNCc2ccco2)[nH]1 226019330 JEIYOQUOQNBKPF-UHFFFAOYSA-N 204.273 2.460 0 40 BEAB CC(=O)Nc1cc(C2OCCCO2)ccc1C 226794746 AKUFXKVBKHTHPV-UHFFFAOYSA-N 235.283 2.389 0 40 BEAB Cc1cc(N)c(N2CCC(C(=O)O)CC2)cc1C 256051716 KHSMHDTUPRWDPW-UHFFFAOYSA-N 248.326 2.187 0 40 BEAB Cc1c[nH]c([C@H]2CCN(Cc3cncs3)C2)n1 257337929 YVBHIHJNPHJDBO-JTQLQIEISA-N 248.355 2.164 0 40 BEAB FC1(F)CCN(c2ccnc(C3CC3)n2)C1 335647538 DMPJINSHMBMXAN-UHFFFAOYSA-N 225.242 2.199 0 40 BEAB c1nc2c(c(N3C[C@H]4C[C@H]3CS4)n1)CCCC2 585149370 LVZXUEBOFUXFDG-VHSXEESVSA-N 247.367 2.050 0 40 BEAB O=C(Nc1ccc(Cl)cc1)c1ccc(O)nn1 541684 DPJLTTYNECBCSM-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB CC(=O)Nc1ccc(-c2n[nH]c(=S)n2C)cc1 551454 ZQBKRIUMZVGJKP-UHFFFAOYSA-N 248.311 2.103 0 40 BEAB CC(=O)N(C)c1nnc(-c2cccc(C)c2)s1 1345384 MHOHSMVJUDDALZ-UHFFFAOYSA-N 247.323 2.496 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1C 1466457 JDYUWJKBFSHZSD-GFCCVEGCSA-N 219.284 2.421 0 40 BEAB COCCN(CCF)c1cccc(F)c1 1730419 OVABNQKXUPGNNX-UHFFFAOYSA-N 215.243 2.248 0 40 BEAB NC(=O)[C@H](CCN1CCCCC1)c1ccccc1 2042921 HASMTRUBBJZEGO-CQSZACIVSA-N 246.354 2.132 0 40 BEAB CCOC(=O)CCC(=O)c1cccc(F)c1F 2378962 BARJXDORRJTNEF-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB Cc1ccc(C(F)(F)F)c(NN)c1F 2509697 JVGSQAUAPXBNAR-UHFFFAOYSA-N 208.158 2.439 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 4163085 OGSJDLMQXSIQKS-SECBINFHSA-N 244.294 2.265 0 40 BEAB CCC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)O 8730645 XISZKWMXTAQYSN-SNVBAGLBSA-N 238.239 2.047 0 40 BEAB CCC[C@H](C)NCc1nnc2ccccn12 20185638 STZIPPYAKJFVQV-JTQLQIEISA-N 218.304 2.008 0 40 BEAB O=C(O)CCc1c[nH]c2c(F)cccc12 20269214 KZEHJGBNXMHEEZ-UHFFFAOYSA-N 207.204 2.324 0 40 BEAB COc1ccc(CNc2ncccc2N)cc1 20278649 PBPGZPNDGLJZHD-UHFFFAOYSA-N 229.283 2.285 0 40 BEAB COC(=O)[C@H]1CC(=S)N(Cc2ccccc2)C1 20358011 GNDZSDHDZGZERP-NSHDSACASA-N 249.335 2.009 0 40 BEAB Cc1cccc(C)c1NC(=O)c1cccnn1 22073154 XXVGUJADEIUCEL-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB CCOc1ncccc1NC(=O)C1CCC1 27587301 BEOLISBMAXOWPH-UHFFFAOYSA-N 220.272 2.219 0 40 BEAB CN(Cc1ccco1)C(=O)c1cc(C2CC2)[nH]n1 31459335 DOOZQMIENMDXOC-UHFFFAOYSA-N 245.282 2.152 0 40 BEAB CN(Cc1cccc(F)c1)C(=O)c1cccnc1 33000188 LUTQFJLMUJDLCI-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB Nc1cccc(-c2noc(C(F)F)n2)c1 35697039 LQEGRVSPFYNYAU-UHFFFAOYSA-N 211.171 2.256 0 40 BEAB Cc1nccn1CC(=O)c1ccccc1F 37340592 UYBWSPVLCMFPIF-UHFFFAOYSA-N 218.231 2.214 0 40 BEAB COC[C@H](C)Nc1ncnc2ccccc12 37488314 XKVJLGZWMIJBDL-VIFPVBQESA-N 217.272 2.077 0 40 BEAB CNCc1ccccc1I 38222089 SBNMRLNJUKMWAZ-UHFFFAOYSA-N 247.079 2.011 0 40 BEAB Cn1nccc1CNc1cccc(F)c1F 40230265 NQLPRXRBIAQEBJ-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB O=C(OCC[C@H]1CCCNC1)c1ccccc1 42769442 FMWQLDHARLGESP-GFCCVEGCSA-N 233.311 2.233 0 40 BEAB in-vitro Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cn1 44945299 YCZJZZWTDKEYIH-ZDUSSCGKSA-N 230.311 2.363 0 40 BEAB CCOc1ccccc1CN(C)CCOC 52164060 XTJGHCBLMCHQJB-UHFFFAOYSA-N 223.316 2.164 0 40 BEAB COCCn1ccc2cc(NC(C)=O)ccc21 60319276 YSSCBKJSKTXWTP-UHFFFAOYSA-N 232.283 2.246 0 40 BEAB C[C@H](CCC(=O)O)NC(=O)C1CCCCCC1 70309726 DEJRLTBNSPJNEY-SNVBAGLBSA-N 241.331 2.326 0 40 BEAB CCOC(=O)C(C)(C)Oc1ccc(O)cc1C 71614336 ZLLUDQCJBVEZTQ-UHFFFAOYSA-N 238.283 2.421 0 40 BEAB CCNC(=O)N1CCCC[C@H](SCC)C1 71899722 YRHFEQWKGICFIO-JTQLQIEISA-N 230.377 2.324 0 40 BEAB CCOC(=O)c1cc(OC2CCCCC2)n[nH]1 72209352 HOUMAXTUHQSSEL-UHFFFAOYSA-N 238.287 2.298 0 40 BEAB O=CN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213826 PHQCUSXHQXWHAB-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB O=C(O)C/C(=C/c1ccccc1Cl)C(=O)O 72220956 WNSKZHGJJJQWHN-YVMONPNESA-N 240.642 2.283 0 40 BEAB CC(C)Oc1ccc2[nH]cc(CN)c2c1 82593160 FKBRUKPNAXYEFC-UHFFFAOYSA-N 204.273 2.414 0 40 BEAB CC1CC(CN)([C@H](O)c2ccc(F)cc2)C1 85395994 SNDARHVLHCJIOP-BKDHPRRPSA-N 223.291 2.234 0 40 BEAB Cc1c(OCC(F)(F)F)ccnc1C=O 95751504 MDECNDXLOCUJBI-UHFFFAOYSA-N 219.162 2.144 0 40 BEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(C)C 95980476 ULSZNMOSUKSDAC-LBPRGKRZSA-N 237.347 2.056 0 40 BEAB CCO[C@@H](CC)C(=O)Nc1ccc(O)cc1F 97098043 AZYXRFQZTNERGD-NSHDSACASA-N 241.262 2.285 0 40 BEAB C[C@@]12CC3CC(NC=O)(C1)C[C@@](C)(C3)C2 100092126 NYQWYYMEIBHRSB-ZFQMDJOTSA-N 207.317 2.481 0 40 BEAB C[C@H](CS[C@@H]1CCNC1=O)c1ccccc1 183330490 OGOVVNNJGDIFGG-ZYHUDNBSSA-N 235.352 2.412 0 40 BEAB CCOC(=O)Cc1cncc(C(F)(F)F)c1 205160043 PBYXQXWYTSUWNM-UHFFFAOYSA-N 233.189 2.206 0 40 BEAB CC[C@@H](C)NC(=S)Nc1ccncc1 225178052 VYDFUGXHDVBHOR-MRVPVSSYSA-N 209.318 2.167 0 40 BEAB CCOC(=O)c1c[nH]c2ccc(Cl)nc12 260248355 YINUMJGRNSJFJU-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB COc1cccc2nc(N(C)C)c(C=O)cc12 685938580 PHYUNUODVWRYLW-UHFFFAOYSA-N 230.267 2.122 0 40 BEAB COc1cccc(OC)c1C(=O)NC(C)(C)C 183226 NJOWNZCYQRLGLZ-UHFFFAOYSA-N 237.299 2.232 0 40 BEAB Cc1ccc(C)c(N[C@H]2SC(=O)NC2=O)c1 1273020 VLFNDYXNMUVQNO-JTQLQIEISA-N 236.296 2.024 0 40 BEAB COc1ccc(CC(C)(C)O)cc1OC 1426304 HVYXNVQLRUJLAO-UHFFFAOYSA-N 210.273 2.017 0 40 BEAB biogenic,in-vitro OCCCN[C@@H](c1ccccc1)c1ccccn1 2522994 WMBJYODGBWSBMI-HNNXBMFYSA-N 242.322 2.143 0 40 BEAB CC(=O)c1sc(NC[C@H]2CCCO2)nc1C 3503985 KIOUUCKLQRRTHR-SECBINFHSA-N 240.328 2.245 0 40 BEAB COc1ccc([C@H](C)n2nccc2N)cc1 4575252 PVDNFFDOIHTQQB-VIFPVBQESA-N 217.272 2.083 0 40 BEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)=N1 5497781 UFYADHOOWVNADQ-LBPRGKRZSA-N 242.278 2.075 0 40 BEAB biogenic,in-vitro CC(C)[C@H](C)NS(=O)(=O)c1cccs1 7212301 UOKNUUKFHRVIDV-QMMMGPOBSA-N 233.358 2.071 0 40 BEAB Cc1cccc(-n2nc(C(=O)O)cc2C)c1 8700443 ANHHQJGCVBLDKI-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB Cc1ccccc1/C=C1\SC(=O)NC1=O 12408932 PWNAVEGPVDNSIM-TWGQIWQCSA-N 219.265 2.319 0 40 BEAB C[C@H]1CN(CC(=O)c2cccs2)C[C@@H](C)O1 12409071 FBZPIFAWZWCJQW-AOOOYVTPSA-N 239.340 2.040 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cc(C)on1 13363648 RUBVLFPKBFRZLA-JTQLQIEISA-N 222.288 2.388 0 40 BEAB S=C(NCc1ccco1)Nc1ccncc1 13837266 YEKQTAPOOKLFGD-UHFFFAOYSA-N 233.296 2.161 0 40 BEAB CCc1nnc(NC(=O)C[C@@H]2C=CCC2)s1 19680443 HIXSXXZOKKSXGZ-MRVPVSSYSA-N 237.328 2.395 0 40 BEAB Clc1ccc(SCc2nnn[nH]2)cc1 19880415 CHUZWYSHNLSTHB-UHFFFAOYSA-N 226.692 2.145 0 40 BEAB in-vitro O=C(NC1CCCCC1)c1cncs1 22073188 RSZGSSXLKUFCHI-UHFFFAOYSA-N 210.302 2.206 0 40 BEAB CSc1ccc(-c2nnc(N)o2)cc1 26423860 SOGIABAPIYSLGL-UHFFFAOYSA-N 207.258 2.041 0 40 BEAB in-vitro Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)on1 28575873 PCJZXKDHLBYRDP-RKDXNWHRSA-N 222.288 2.101 0 40 BEAB C[C@H]1Cc2cc(Cl)cc(C(=O)O)c2O1 34382235 MKWOGTWITSYSCH-YFKPBYRVSA-N 212.632 2.362 0 40 BEAB CCOC(=O)c1cc2c(OC)cccc2[nH]1 34566388 JHQOAVNMSFGFAS-UHFFFAOYSA-N 219.240 2.353 0 40 BEAB O=C(O)c1nc(Cl)c(F)cc1Cl 34619616 JOCRHSZJOAPYCS-UHFFFAOYSA-N 209.991 2.226 0 40 BEAB C[C@@H](Cn1cccn1)NCc1ccccc1F 35271989 SLHZGSLFQOOCKX-NSHDSACASA-N 233.290 2.201 0 40 BEAB CC(C)c1nocc1CSCC(=O)O 35655659 WPGJDEULMXXMNU-UHFFFAOYSA-N 215.274 2.116 0 40 BEAB CCC[C@H](C(=O)OC)N1C[C@@H](C)C[C@H](C)C1 36128010 NPBBRGNFLTWNPV-SDDRHHMPSA-N 227.348 2.306 0 40 BEAB Cc1n[nH]cc1CNCCc1cccs1 36901517 NWHPSWPFSOVTNW-UHFFFAOYSA-N 221.329 2.112 0 40 BEAB O=C(O)[C@H]1CS[C@@H](c2ccc(Cl)s2)N1 36906846 IKBXTCUEVOKTDZ-FBCQKBJTSA-N 249.744 2.190 0 40 BEAB in-vitro O=C(O)[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 37380867 XRVPPNOXFATEAL-BDAKNGLRSA-N 228.194 2.476 0 40 BEAB Nc1ccccc1OCCn1cc(Cl)cn1 38053314 XWWBRPAZKPDUNC-UHFFFAOYSA-N 237.690 2.198 0 40 BEAB CC(C)Oc1ccc(CN[C@@H](C)C(=O)O)cc1 41689515 HUFKXBKHKKFKOP-JTQLQIEISA-N 237.299 2.037 0 40 BEAB COCCNc1ncc(Br)cc1C 42783951 AALWTDXZGRCEJN-UHFFFAOYSA-N 245.120 2.211 0 40 BEAB CC[C@H](C)C(=O)NCc1nc(C)cs1 48354040 SQBVNZCZKGWOEG-ZETCQYMHSA-N 212.318 2.114 0 40 BEAB CNC[C@H](OC)c1ccc(Br)cc1 50482333 UPSHRIZBKNNJIY-JTQLQIEISA-N 244.132 2.356 0 40 BEAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(C)cc1 57487351 OYWSNOYNXMRZMA-LLVKDONJSA-N 249.310 2.067 0 40 BEAB CN(CCc1ccncc1)C(=O)C[C@H]1C=CCC1 58051280 SGTBRGQRRLCIHO-AWEZNQCLSA-N 244.338 2.439 0 40 BEAB CCC[n+]1c(N)sc2cc(C)ccc21 61968235 ZRDDACIWGZYLSF-UHFFFAOYSA-O 207.322 2.489 0 40 BEAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCNC2)c1 62114127 RAVVIBZVHHOFNR-OLZOCXBDSA-N 246.354 2.090 0 40 BEAB C[C@@H](O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 62713838 NOLYNJCKOXZVCZ-JIMOISOXSA-N 205.301 2.237 0 40 BEAB Cc1cc(C)nc(NCCCNCC(C)C)n1 62717889 GDELQNXRLDJICF-UHFFFAOYSA-N 236.363 2.141 0 40 BEAB Oc1nc(-c2ccc(F)c(Cl)c2)no1 62792737 XGEOHOUCXQNHEM-UHFFFAOYSA-N 214.583 2.235 0 40 BEAB in-vitro CC[C@H](CO)Nc1ccnc(-c2ccccc2)n1 69844486 UGJYHQLXUJDRLA-GFCCVEGCSA-N 243.310 2.326 0 40 BEAB Nc1ccc(C(=O)CC(F)(F)F)cc1 70041779 ZTDWRVOFUCICIR-UHFFFAOYSA-N 203.163 2.404 0 40 BEAB COc1ccc([C@H](O)[C@@H]2CCCCCN2)cc1 70193627 MZVOWTORNJFDSP-KBPBESRZSA-N 235.327 2.261 0 40 BEAB O=C1OCCN1CCSc1ccccc1F 71186229 MJWOPBKLDMYHFJ-UHFFFAOYSA-N 241.287 2.370 0 40 BEAB CCN(C)C(=O)NCc1cccc(C)c1 71854050 DSKIMAYHFKRTNW-UHFFFAOYSA-N 206.289 2.156 0 40 BEAB CCN(C)c1ccc([C@H]2CCCN2C(C)=O)cn1 72212710 YJHQLQCLPSMEML-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB c1ccc([C@H]2CCCN(c3ccncn3)C2)nc1 72357369 QKEFZRCSPBLROJ-LBPRGKRZSA-N 240.310 2.256 0 40 BEAB O=C(O)c1nccn1-c1ccc(Cl)cc1 75394784 YVWRQKVCFMWMFM-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB CC[C@@H]1Oc2c(F)cc(F)cc2NC1=O 75883276 QHPZGWKHDJEPLP-QMMMGPOBSA-N 213.183 2.074 0 40 BEAB Cc1cnc(CN2CCC[C@H]2c2noc(C)n2)o1 76047185 JCBRFCDHERQZIA-JTQLQIEISA-N 248.286 2.012 0 40 BEAB O=C(c1ccc2[nH]ccc2c1)n1ccnc1 82271178 JBQFYAUWXVNKMW-UHFFFAOYSA-N 211.224 2.053 0 40 BEAB O=C(O)c1cccc2cc(CCO)ccc12 85210458 JHBPZMUJFQKDMK-UHFFFAOYSA-N 216.236 2.073 0 40 BEAB in-vitro C[C@H](Nc1cnn(C)c1)c1cscn1 95462741 AUDLRGCXQBCRQP-ZETCQYMHSA-N 208.290 2.050 0 40 BEAB OC[C@@H](O)c1cccc(Cl)c1Cl 95532614 SIDJPCNXLFFGDH-SSDOTTSWSA-N 207.056 2.019 0 40 BEAB in-vitro COc1ccc(F)cc1SC(C)=O 95730911 UGAFOJBYLQVEMY-UHFFFAOYSA-N 200.234 2.473 0 40 BEAB CC(=O)c1cnccc1Br 95761014 LUDXKDMFATZDSK-UHFFFAOYSA-N 200.035 2.047 0 40 BEAB Cc1cc(N[C@@H]2C=C[C@H](CO)C2)nc(C(C)C)n1 95966052 LBGIBPSXQAKPPS-NWDGAFQWSA-N 247.342 2.257 0 40 BEAB C[C@@H]1[C@@H]2C[C@H]([C@H](CN(C)C)C2=O)C1(C)C 100990263 IORDCIHONMRMKU-VPOLOUISSA-N 209.333 2.045 0 40 BEAB c1nc(N2CCC[C@@H]3CCC[C@H]32)c2cn[nH]c2n1 108088571 NWOUTFYLCNZFMF-GXSJLCMTSA-N 243.314 2.122 0 40 BEAB Cc1nc2c(n1C[C@H]1CCOC1)CCCC2 160730367 JQLXKAYIMDAUCZ-LLVKDONJSA-N 220.316 2.107 0 40 BEAB Cc1ccc(-c2cc(C3CNC3)nc(C)n2)cc1 257282768 OVEZTPBKUQODDW-UHFFFAOYSA-N 239.322 2.447 0 40 BEAB Cc1cccc(N2CC(C(F)(F)F)C2)n1 2298041238 FFCRZLIEZVIHGX-UHFFFAOYSA-N 216.206 2.389 0 40 BEAB CCc1cc(-c2ncn(C)n2)ccc1F 2362801741 PTOQJURDFBSETH-UHFFFAOYSA-N 205.236 2.184 0 40 BEAB CC1(C)[C@H]2CC=C(CN3CCC(O)CC3)[C@@H]1C2 277701 NNERQESYPIHJCJ-JSGCOSHPSA-N 235.371 2.436 0 40 BEAB biogenic CCNC(=S)NCc1ccccc1OCC 1431589 OGJRQERAIKYREH-UHFFFAOYSA-N 238.356 2.069 0 40 BEAB COc1ccccc1N1CCN(CC(C)C)CC1 1664857 KALNTKFMAGNKQT-UHFFFAOYSA-N 248.370 2.473 0 40 BEAB CCNCC(=O)Nc1cccc(Cl)c1C 1672719 ZDRWBVRWEGJKMG-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB OCc1cccc2c1[C@@H](O)c1ccccc1-2 1673252 USEOUBUSZWOIMD-AWEZNQCLSA-N 212.248 2.241 0 40 BEAB CCCC(=O)NC(=O)N[C@H](C)c1ccccc1 2408671 SBBLVXVTLKVZTE-SNVBAGLBSA-N 234.299 2.374 0 40 BEAB O=c1nc(-c2cccc(OC(F)F)c2)cc[nH]1 2785775 OXVKGUYDCCZQJN-UHFFFAOYSA-N 238.193 2.038 0 40 BEAB CN(CCC(=O)O)Cc1cccc(Cl)c1 3375334 VAQFQYFWSFSRLU-UHFFFAOYSA-N 227.691 2.247 0 40 BEAB CNC(=O)COc1ccccc1C(C)(C)C 5380101 GMKYDDUDVVRHKZ-UHFFFAOYSA-N 221.300 2.109 0 40 BEAB COC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5440155 VNTSPOFDGVLGOQ-UHFFFAOYSA-N 248.282 2.300 0 40 BEAB Cc1nn([C@@H](C)C(=O)O)c(C(F)F)c1Cl 6254027 OMZWOWHJMSBSSD-BYPYZUCNSA-N 238.621 2.428 0 40 BEAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 12884079 BQOYCULMRNFJEI-JTQLQIEISA-N 248.326 2.273 0 40 BEAB CC(=O)Nc1ccc2c(c1)nc1n2CCSC1 13135654 XRXYUWYHFGXLEE-UHFFFAOYSA-N 247.323 2.242 0 40 BEAB CN(C)CCCOc1ccc(Cl)cc1N 14629331 CMUFWMVTLAIMBN-UHFFFAOYSA-N 228.723 2.253 0 40 BEAB Cc1nc2ccccc2nc1-c1nncs1 16265725 SZPPRBYSUZTVDF-UHFFFAOYSA-N 228.280 2.457 0 40 BEAB Cc1ccc([C@H](N)CN2CCCC2)cc1 19257811 GCQBSMRUMWJULF-CYBMUJFWSA-N 204.317 2.091 0 40 BEAB COc1ccc(O[C@@H]2CCCC[C@@H]2N)cc1 19268839 GAVFUSQZJNSSIN-QWHCGFSZSA-N 221.300 2.344 0 40 BEAB CC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C 19505546 BMSVXURYDSJPDJ-KWQFWETISA-N 217.268 2.484 0 40 BEAB Cc1ccc(-n2cccc2[C@@H](CN)N(C)C)cc1 19795649 GVYFUQYXVRJSPF-OAHLLOKOSA-N 243.354 2.347 0 40 BEAB Cc1oc2c(c1C(=O)O)C(=O)C[C@@H](C)C2 22127074 HYIBHVUBEFEECG-RXMQYKEDSA-N 208.213 2.051 0 40 BEAB COC(=O)c1cc(-c2ccccc2F)on1 26421046 UJELOQIDIAROPA-UHFFFAOYSA-N 221.187 2.267 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@@H]2C(C)=O)c1 32013590 MOYSPIFFPCNUDW-MNOVXSKESA-N 220.268 2.396 0 40 BEAB CN(Cc1ccc(F)cc1)C(=O)C1CC1 32967350 JNEILCAZVCVJNP-UHFFFAOYSA-N 207.248 2.194 0 40 BEAB c1ccc(CN2CC[C@H](NC3CC3)C2)cc1 34973310 HTTXVNRPINIIHA-AWEZNQCLSA-N 216.328 2.013 0 40 BEAB in-vitro Cc1nnc2n1NC/C(=C\c1ccccc1)S2 35287292 UHGKHHVILNOXPM-YRNVUSSQSA-N 244.323 2.277 0 40 BEAB O=Cc1ccc(OC(=O)c2cccc(O)c2)cc1 35585917 UPNGDWFBBVXPEH-UHFFFAOYSA-N 242.230 2.424 0 40 BEAB CC(C)NCc1cncc(Br)c1 36947892 ATJVKVOAQAZHSW-UHFFFAOYSA-N 229.121 2.342 0 40 BEAB Cc1csc(S[C@@H]2CCCCNC2=O)n1 40025135 XABIIRSDCCVYHB-MRVPVSSYSA-N 242.369 2.212 0 40 BEAB CC(=O)Cn1ccc(=O)c2cc(C)cc(C)c21 40164148 KLXMCLUQZLWEIV-UHFFFAOYSA-N 229.279 2.207 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCC[C@@H](C)C1 42377262 HXAONISEVMJLBU-VXGBXAGGSA-N 227.348 2.306 0 40 BEAB COc1ccc(OC2CCNCC2)c(Cl)c1 42775203 KTVOWYZJRSMGEW-UHFFFAOYSA-N 241.718 2.479 0 40 BEAB CCOC(=O)CC(=O)c1ccc(C)c(F)c1 43501782 FKXSDCFCHUAAEN-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB c1ccc2nc(O[C@@H]3CCCNC3)ccc2c1 51872879 QCNLZCYJQALNDH-GFCCVEGCSA-N 228.295 2.366 0 40 BEAB COCCN1CCC[C@H]1Cc1cccc(F)c1 52011961 GBCFZEXAEYEURJ-AWEZNQCLSA-N 237.318 2.479 0 40 BEAB c1ccc(-c2csc([C@@H]3CNCCO3)n2)cc1 57217732 YZFGSIUOHSCTRK-LBPRGKRZSA-N 246.335 2.471 0 40 BEAB in-vitro COc1c(N)cc(-c2ccccc2)cc1C(N)=O 57339970 WKTSTARGVIJPDD-UHFFFAOYSA-N 242.278 2.043 0 40 BEAB CCCc1nc(NC)c2c(n1)c(C)nn2CC 72237846 AVXDREOMVPOHJK-UHFFFAOYSA-N 233.319 2.149 0 40 BEAB c1cc(C[C@H]2CNCCOC2)c2cccnc2c1 72344400 UABUZYOKZBLAQS-LBPRGKRZSA-N 242.322 2.013 0 40 BEAB CCS[C@H]1CCC[C@@H](NC(=O)CCOC)C1 79013383 OHJLCUGFGXPSLQ-MNOVXSKESA-N 245.388 2.203 0 40 BEAB O=C(O)c1c(O)cnc2cc(Cl)ccc12 84122382 JCOPKTJYSFWDCR-UHFFFAOYSA-N 223.615 2.292 0 40 BEAB O=C(O)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 90411040 ZHANYEUIYWYSAW-SNVBAGLBSA-N 242.278 2.266 0 40 BEAB CO[C@H]1CCC[C@H](NCc2c(C)noc2C)C1 92339520 OJAQZWDGXBCSQE-RYUDHWBXSA-N 238.331 2.339 0 40 BEAB Cc1ccc(NCc2ccccn2)c(N(C)C)n1 95436187 SWMQWXUNBCOKRH-UHFFFAOYSA-N 242.326 2.463 0 40 BEAB CCc1c(NCc2ncc[nH]2)cnn1CC(C)C 95988519 JEJQWGAFIFRTOH-UHFFFAOYSA-N 247.346 2.437 0 40 BEAB CCOCc1nnc(NCc2ccsc2)o1 95990081 AZZKBZZWVJGWKH-UHFFFAOYSA-N 239.300 2.280 0 40 BEAB C1CCC(CN2CC[C@]23CCCNC3)C1 96050967 NUMRPODUOKMLBI-ZDUSSCGKSA-N 208.349 2.005 0 40 BEAB C[C@H](O)CCN(C)C(=O)Nc1cccc(F)c1 96441332 VRGIHIQLSMLRMZ-VIFPVBQESA-N 240.278 2.060 0 40 BEAB COC(=O)CN(CC(C)C)c1cccc(O)c1 96444961 FLNBZZPIDSAUPB-UHFFFAOYSA-N 237.299 2.028 0 40 BEAB COc1ccc([C@@H]2[C@@H](CO)CCCN2C)cc1 101397740 FGKFSGZEKVATDB-TZMCWYRMSA-N 235.327 2.070 0 40 BEAB Cc1ccc(N2CCC[C@@H]2C(=O)O)cc1 106884437 YDQNTBQBTVUYIG-LLVKDONJSA-N 205.257 2.048 0 40 BEAB COC(=O)c1c(C)[nH]c2ccc(F)cc12 165150100 WGDFIFQJGWOHNY-UHFFFAOYSA-N 207.204 2.402 0 40 BEAB COc1ccccc1-c1nnc(-c2cnco2)o1 216610130 MAGFNCTWKUUHFV-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB CC(C)Cn1nc(C(F)(F)F)c2c1CCNC2 217525676 TXBBAABTHICDHE-UHFFFAOYSA-N 247.264 2.204 0 40 BEAB CCCn1cnc2c1CCC[C@@H]2CCN 217783994 PIKKXKMYCILZCV-SNVBAGLBSA-N 207.321 2.062 0 40 BEAB CC(C)(C)OC(=O)N1CCC(F)(F)C[C@H]1C=O 222273529 XONOUUIJDKOXRR-QMMMGPOBSA-N 249.257 2.220 0 40 BEAB CCNC(=O)c1cc(N)ccc1NCCC(C)C 225491875 POEWWFIHJIIQCK-UHFFFAOYSA-N 249.358 2.477 0 40 BEAB CN1[C@H]2CC[C@H](CC3CCNCC3)[C@H]1CC2 252494430 NVLCTBZIWTVAPI-HZSPNIEDSA-N 222.376 2.249 0 40 BEAB Cn1c(C(=O)Nc2cn[nH]c2)cc2ccccc21 520408097 HPVVJIZEDLOPQL-UHFFFAOYSA-N 240.266 2.154 0 40 BEAB CN1CCC[C@@H](COc2ccc(Cl)cn2)C1 585655217 XCBITZCQZMMSPS-SNVBAGLBSA-N 240.734 2.456 0 40 BEAB FC1(F)COC[C@H]1OCc1ccccc1 688361008 SKIDJWBUMBSCMD-SNVBAGLBSA-N 214.211 2.237 0 40 BEAB ON1C(c2ccccc2)N(O)[C@@H]2CCCC[C@@H]21 300066 GLCYWTAXMAFMTK-FUNVUKJBSA-N 234.299 2.392 0 40 BEAB COc1ccc(NC(=O)c2ccccn2)cc1 338463 BRCJAMLWPTZSER-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CCS(=O)(=O)Nc1ccccc1Cl 482847 QBOVKMYRQPSAKN-UHFFFAOYSA-N 219.693 2.102 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCO1 1054235 UXYQSLYRJLGZGN-GWCFXTLKSA-N 231.295 2.143 0 40 BEAB CCOCCn1c([C@@H](C)O)nc2ccccc21 1926813 ACYJPUHBPQAFNT-SNVBAGLBSA-N 234.299 2.126 0 40 BEAB CN1c2ccccc2C(C)(C)[C@]12CCC(=O)N2 5261038 MVWAGLSSCWHMGC-AWEZNQCLSA-N 230.311 2.020 0 40 BEAB CCC(=O)c1ccc2c(c1)OCCCO2 5296873 WTSBSCIGLWOZGU-UHFFFAOYSA-N 206.241 2.441 0 40 BEAB in-vitro COc1ccc2c(c1)C(=O)[C@H](n1ccnc1)CC2 5400594 YJKMDICXRKMSFW-CYBMUJFWSA-N 242.278 2.262 0 40 BEAB CS(=O)(=O)Oc1ccc(Cl)cc1Cl 5734479 HWTBOKMYXXIASI-UHFFFAOYSA-N 241.095 2.332 0 40 BEAB O=C(Nc1nc2c(s1)CCCC2)c1ccno1 10253796 BWOSKHMPVBZLHD-UHFFFAOYSA-N 249.295 2.262 0 40 BEAB Clc1ccccc1O[C@@H]1CCCNC1 12359892 PCMSYMYPZAQMON-SECBINFHSA-N 211.692 2.471 0 40 BEAB in-vitro Brc1cccc(O[C@@H]2CCNC2)c1 14632160 QLTUVIZNLSOEKT-SNVBAGLBSA-N 242.116 2.190 0 40 BEAB in-vitro O=C1CCN(c2ccc(F)cc2F)CC1 19429857 IPHZDXYCDOEZDZ-UHFFFAOYSA-N 211.211 2.134 0 40 BEAB in-vitro Clc1ccc(N2CCCNCC2)cc1 26896723 KNMPWEILMNUGJL-UHFFFAOYSA-N 210.708 2.140 0 40 BEAB CCc1ccc(NC(=O)Cn2ccnc2)cc1 29594117 ZKLRGCIWGTUHOG-UHFFFAOYSA-N 229.283 2.084 0 40 BEAB C[C@H](NS(C)(=O)=O)c1ccc2ccccc2c1 33911376 SQONEYZPUOJMIJ-JTQLQIEISA-N 249.335 2.450 0 40 BEAB CNCc1ccc(OCC(C)C)c(OC)c1 34652328 MDVQGSHMAMWQKA-UHFFFAOYSA-N 223.316 2.449 0 40 BEAB Cc1ccccc1NC(=O)CNCC1CCC1 37180620 CUGCBXSXGNNOPM-UHFFFAOYSA-N 232.327 2.323 0 40 BEAB N[C@@H]1C[C@H]1c1ccccc1Br 37381673 AMHNTDLMRMXDEC-IONNQARKSA-N 212.090 2.264 0 40 BEAB C[C@H](SC(F)(F)F)C(=O)NCC1CC1 40514065 HZXSHVCAPXIBQZ-YFKPBYRVSA-N 227.251 2.154 0 40 BEAB COCCCNC(=O)Nc1cc(F)ccc1C 40525995 ZTMCLOZZAYYNTO-UHFFFAOYSA-N 240.278 2.292 0 40 BEAB COc1ccc(Br)c2c1NCC2 49564784 MXYNQADQNSWJKN-UHFFFAOYSA-N 228.089 2.426 0 40 BEAB CN[C@@H](CN)c1cc(Cl)cc(Cl)c1 50269994 IATAHNRFLYIWSF-VIFPVBQESA-N 219.115 2.213 0 40 BEAB Oc1ccnc2c(Br)cncc12 57354300 UCHKPPXKWFYBGG-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB FC(F)(F)c1cnc([C@H]2CCCCN2)nc1 62720800 HWDJJSOGJHVGKB-MRVPVSSYSA-N 231.221 2.310 0 40 BEAB c1ccc(CN2CCC[C@@]3(CCNC3)C2)cc1 64034164 OFLZQYXCNCHXGP-HNNXBMFYSA-N 230.355 2.262 0 40 BEAB in-vitro c1ccc([C@H]2CN(c3ccncc3)CCO2)nc1 72356933 MOHTYCXISXHIHB-CQSZACIVSA-N 241.294 2.055 0 40 BEAB c1cnc(N2CCC[C@H](c3ccncc3)C2)nc1 72357245 VUVDPFGWJQMKGX-ZDUSSCGKSA-N 240.310 2.256 0 40 BEAB Oc1cccc(CN[C@H]2CCCSC2)c1 75152012 DKFZXGJRYZAXPI-NSHDSACASA-N 223.341 2.377 0 40 BEAB Cc1ccc(OCc2cc(C)no2)nc1 77240732 TXDJAACFTCWXSI-UHFFFAOYSA-N 204.229 2.265 0 40 BEAB O=C1C[C@H](C(=O)O)[C@@H](c2ccc(Cl)cc2)O1 85394767 WJCJCSBZEIWYTB-WCBMZHEXSA-N 240.642 2.029 0 40 BEAB O=c1ccc2c(Br)c(F)ccc2[nH]1 85399969 VZLJLSYSZOBHLB-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB C[C@@H](Oc1ccc(OCC2CCC2)cc1)C(N)=O 89369110 CZYSKUKQWFHDNN-SNVBAGLBSA-N 249.310 2.118 0 40 BEAB CN1CCN(C(=O)C2CC=CC2)c2ccccc21 89382865 SGSOJBUEDJUVFE-UHFFFAOYSA-N 242.322 2.436 0 40 BEAB Cn1cc(NCc2cc(F)c(O)c(F)c2)cn1 94265768 XFAKEZWOGLUIFC-UHFFFAOYSA-N 239.225 2.016 0 40 BEAB CN(C)C(=O)C[C@@H]1CCOc2ccccc21 96410018 ABRNQOUKNUZCPP-JTQLQIEISA-N 219.284 2.031 0 40 BEAB CN1CCc2nc(Cl)c(Cl)cc2C1 96511323 XTVNPKLYMKWSFQ-UHFFFAOYSA-N 217.099 2.376 0 40 BEAB O=C(O)COCc1nc(-c2ccco2)cs1 96528219 GJZQNSKJRVLPHW-UHFFFAOYSA-N 239.252 2.004 0 40 BEAB CC(=O)Nc1nc(C)c2c(n1)C[C@H]1[C@H]2C1(C)C 101389885 BESMNXKBNDKJBW-GZMMTYOYSA-N 231.299 2.039 0 40 BEAB Cn1cccc1[C@@H]1COCCN1CC1CCC1 131943056 GIJBVLCFQGYDTJ-AWEZNQCLSA-N 234.343 2.199 0 40 BEAB Nc1cc(F)c(Br)cc1S 159087282 QKHKLURCUCSOCK-UHFFFAOYSA-N 222.082 2.459 0 40 BEAB FCCCSc1nccn2ccnc12 193577381 DZTUUCSZGDCVSG-UHFFFAOYSA-N 211.265 2.181 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@H]2[C@@H](C)O)c1 216295197 XIQGGSRGDTUMQB-JCOFBHIZSA-N 222.284 2.188 0 40 BEAB COc1ccccc1Cc1ccc(C(=O)O)[nH]1 216589770 SUCCTEOFSAVGOZ-UHFFFAOYSA-N 231.251 2.312 0 40 BEAB OC[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218700253 CZENZKXMJJJJSR-QWRGUYRKSA-N 214.211 2.177 0 40 BEAB c1ccc(CCN2CCN[C@@H]3CCCC[C@H]32)cc1 218829069 WBKROPMTWHKBDJ-HZPDHXFCSA-N 244.382 2.446 0 40 BEAB CN1C[C@@H](N)[C@@H](c2cccc3ccccc23)C1 225606783 ZFXMGGNUDJFQJW-HUUCEWRRSA-N 226.323 2.196 0 40 BEAB CCOc1ccc(/C=C/C(N)=O)cc1Cl 226361162 ALRMUXPOZXPBNC-GQCTYLIASA-N 225.675 2.237 0 40 BEAB Nc1cc(Cl)c(CO)c(C(F)(F)F)c1 307665778 BYUHMWHDUZVYNR-UHFFFAOYSA-N 225.597 2.433 0 40 BEAB Cc1cccc(OC[C@@H]2CCCOC2)n1 336037013 LSYKTESFNOEUPQ-LLVKDONJSA-N 207.273 2.195 0 40 BEAB COc1c(C)cc(C(=O)COC(C)=O)cc1C 575358370 YIFOSRXMQSWENK-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB CC(C)n1ncc2c1C[C@H](C(N)=S)CCC2 575425605 UGDMXPMVBOOXJG-SECBINFHSA-N 237.372 2.245 0 40 BEAB CCc1cc(N(C)C[C@H]2CCCCO2)ncn1 603385038 WIRHZTADJODBLH-GFCCVEGCSA-N 235.331 2.044 0 40 BEAB COc1nc(C)cc(N[C@@H](C)c2ncc(C)o2)n1 680626173 UEVJWMOMAJIPPD-VIFPVBQESA-N 248.286 2.263 0 40 BEAB COc1ccc(/C=C/[C@@H]2CC(O)=CC(=O)O2)cc1 888085706 FWTANFWOUZTKOF-WXJAXGNASA-N 246.262 2.466 0 40 BEAB in-vitro Cc1ncnc(C(=O)Nc2ccccc2F)c1C 1888856873 RKJCKKISRVEBMF-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB Cn1c(C2CCNCC2)cc2cccnc21 2049399009 AFFTVBHMJDIFQM-UHFFFAOYSA-N 215.300 2.040 0 40 BEAB c1ccc(-c2c[nH]c3scc[n+]23)cc1 343112 MNSSELMYIOTNPQ-UHFFFAOYSA-O 201.274 2.482 0 40 BEAB NCCOc1cc(Cl)cc(Cl)c1 1843725 FJMQDWMDXIGLLM-UHFFFAOYSA-N 206.072 2.331 0 40 BEAB Nc1nc(C(F)(F)F)cc(=S)s1 4580198 DDMPWZNQBOHLGX-UHFFFAOYSA-N 212.221 2.474 0 40 BEAB O=C(O)COCc1ccc(Br)cc1 6092907 ZIEXYIQTFZVRBI-UHFFFAOYSA-N 245.072 2.050 0 40 BEAB O=C(NCCc1ccc(F)cc1)c1ccncc1 6305328 WFBAUGSHWUIWJR-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB COC(=O)c1c(O)c2ccccc2[nH]c1=S 6817208 AAJUDRCQRXQXDQ-UHFFFAOYSA-N 235.264 2.390 0 40 BEAB O=C(COC(=O)c1ccccc1F)c1ccc[nH]1 6945695 MTCPNFLOHYHSOU-UHFFFAOYSA-N 247.225 2.194 0 40 BEAB O=C(/C=C/c1ccco1)NCc1ccccn1 9613244 RHVPYGDUORFUQO-VOTSOKGWSA-N 228.251 2.004 0 40 BEAB CC(C)c1ccc2[nH]c(=O)c(CCN)cc2c1 11980399 SLEKJGWRVYHWGK-UHFFFAOYSA-N 230.311 2.153 0 40 BEAB CCN1CCN(CC)C1c1ccccc1 19319692 WVKVIIZOIXEUDN-UHFFFAOYSA-N 204.317 2.343 0 40 BEAB CC(=O)c1cc(F)ccc1-n1cccn1 19871192 WONKGWQKFPTPEZ-UHFFFAOYSA-N 204.204 2.214 0 40 BEAB CC(C)c1ccccc1O[C@H](C)C(N)=O 20040636 ZQEQYQGCYOETIH-SECBINFHSA-N 207.273 2.063 0 40 BEAB C[C@@H](N)c1ccc(NC(=O)C2CC2)cc1 20282196 CELFORIQAQLUCB-MRVPVSSYSA-N 204.273 2.055 0 40 BEAB in-vitro CC(C)c1noc(-c2ccccc2N)n1 21518728 BLBYFWXEWFCDLJ-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB Brc1cnc2ccnc3c2c1NC3 26438379 GRCJJPMFYBKPQU-UHFFFAOYSA-N 236.072 2.318 0 40 BEAB Cc1ccc(C(=O)Nc2cn(C)nc2C)cc1 32610429 JPSGGWSFRLESOK-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB O=C(NC[C@H]1CCCO1)c1c[nH]c2ccccc12 35133708 DMSKQVNWVAPHAO-SNVBAGLBSA-N 244.294 2.077 0 40 BEAB CC[C@@H](NC(=O)CCC(=O)OC)c1ccccc1 36562632 OPBWCBBFIJFRKO-GFCCVEGCSA-N 249.310 2.207 0 40 BEAB Fc1cc(F)cc(COC[C@@H]2CCNC2)c1 42774024 ANMNCCYMSHEYKW-SECBINFHSA-N 227.254 2.091 0 40 BEAB COCCCNC(=O)Nc1cc(F)cc(F)c1 43882072 MJUQMHHCVWJQSL-UHFFFAOYSA-N 244.241 2.123 0 40 BEAB Cc1cc(C)n(CCNC(=O)CC2CCCC2)n1 44158728 ZJFULPPZKSHBJM-UHFFFAOYSA-N 249.358 2.196 0 40 BEAB Cc1nc(C)c(C(=O)NC(C)(C)C)s1 48331622 MWBJQZIPHWLQBI-UHFFFAOYSA-N 212.318 2.288 0 40 BEAB O=c1[nH]c(-c2ccco2)nc2ccsc12 48606367 FISSWGWUQHOQNV-UHFFFAOYSA-N 218.237 2.245 0 40 BEAB Cc1ncc(CN(C)CCOC(C)C)s1 52101110 IVIDYJHPZSWNRA-UHFFFAOYSA-N 228.361 2.308 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1cccc(Cl)c1Cl 62713542 MJDQUHRGPPKQNS-GZMMTYOYSA-N 246.137 2.418 0 40 BEAB Cc1ccc2cccc(S(=O)(=O)O)c2c1 71256818 BXJIZCYGEBTLGO-UHFFFAOYSA-N 222.265 2.395 0 40 BEAB CC(C)=CCN1CCCC[C@@H]1Cn1cncn1 71876229 UQRWVBUAKSUPMD-CYBMUJFWSA-N 234.347 2.099 0 40 BEAB OC[C@@H]1CCCCN1Cc1cnc(Cl)s1 72203702 ZSWXNYVFPJGVFV-QMMMGPOBSA-N 246.763 2.143 0 40 BEAB COc1ncc([C@H](N)c2ccccc2)cc1C 72221948 AZSWCVRZGHFZHZ-CYBMUJFWSA-N 228.295 2.447 0 40 BEAB CC(C)n1ccc(Cn2cc(Cl)cn2)n1 84633236 GOESQCAJTOIEGU-UHFFFAOYSA-N 224.695 2.362 0 40 BEAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)C1CC1 95401255 LYASYPJZWXINTL-NWDGAFQWSA-N 207.317 2.481 0 40 BEAB Cc1ccc(F)c(N(C#N)Cc2nnc(C)o2)c1 95412979 OLCBVMFNLINBQK-UHFFFAOYSA-N 246.245 2.313 0 40 BEAB CN(C)c1ncccc1C(=O)OC1CCCC1 95949258 WNAXSSLFMAYJED-UHFFFAOYSA-N 234.299 2.247 0 40 BEAB Cc1nc(CN2CC[C@]3(CCOC3)C2)cs1 96051046 NYWZIRJVGCONDF-LBPRGKRZSA-N 238.356 2.064 0 40 BEAB Cc1ccc2c(c1)[C@@H](NCC(C)(C)C(N)=O)CC2 96492694 SAVFSAABRUTWNM-ZDUSSCGKSA-N 246.354 2.083 0 40 BEAB CCn1cc(CN2CCOc3ccccc32)cn1 97058975 QURCUQHEFMDOAD-UHFFFAOYSA-N 243.310 2.302 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 97109396 KMFYGBAATKYLCU-WDEREUQCSA-N 208.232 2.492 0 40 BEAB C[C@H]1CN(C)[C@H](C)C[C@@H]1OC(=O)c1ccco1 101176578 MLVZDGWIMKLZEE-UMNHJUIQSA-N 237.299 2.165 0 40 BEAB O=C1CCCC[C@@H]1C(=O)C(F)(F)Cl 102895921 VVUYGRILYXZMFC-YFKPBYRVSA-N 210.607 2.146 0 40 BEAB C[C@@H]1Oc2ccc(Br)cc2C1=O 105738341 PHMGSVNWPDXFLL-YFKPBYRVSA-N 227.057 2.413 0 40 BEAB O=Cc1c(F)ccc(O)c1Br 216015665 FHDXFJOAUQHOSL-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB CCO[C@@H](Cc1ccccc1C)C(=O)O 220066784 XBDCGCNDZCAABW-NSHDSACASA-N 208.257 2.027 0 40 BEAB CCCC[C@H](C)C(=O)NCC[C@H]1CCCO1 225725200 GCEISURFGCZGHV-NWDGAFQWSA-N 227.348 2.498 0 40 BEAB CC(C)n1nccc1CNCc1ccco1 256050064 CMMQKFKCFAMCBC-UHFFFAOYSA-N 219.288 2.347 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3ccc(Cl)cc3[C@H]21 536956346 WLJLPPNLAMGCOO-IVZWLZJFSA-N 208.644 2.310 0 40 BEAB CCc1[nH]c2ccc(O)cc2c(=O)c1CC 685938533 NBYZBOFFUFADTA-UHFFFAOYSA-N 217.268 2.359 0 40 BEAB Cn1cc(-c2cc(N)c3ccccc3n2)cn1 1548919461 XTCPJFBNSORQFO-UHFFFAOYSA-N 224.267 2.218 0 40 BEAB Cc1csc(NC(=O)Nc2cccnc2)n1 40061 XBXAKMMWJMUWBC-UHFFFAOYSA-N 234.284 2.491 0 40 BEAB Fc1ccc(NCc2cn3cccnc3n2)cc1 79745 HTDCHXDYDAUKRE-UHFFFAOYSA-N 242.257 2.481 0 40 BEAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)no1 116326 OXVLRBMWVANPKJ-SNVBAGLBSA-N 246.266 2.389 0 40 BEAB CCC(=O)Nc1cnc(NC(=O)C(C)C)cc1C 1358400 YDOSPSYDHYQBJS-UHFFFAOYSA-N 249.314 2.333 0 40 BEAB CCCS(=O)(=O)CCC(=O)c1cccs1 1563764 GAYFAIOANANBBR-UHFFFAOYSA-N 246.353 2.146 0 40 BEAB O[C@@H]1CCCN(Cc2ccccc2)CC1 4202942 DIIHLEFTHZLGSR-CYBMUJFWSA-N 205.301 2.033 0 40 BEAB CC(C)CCC[C@H](C)NC(=O)N1CCOCC1 4677260 ALLWUWDKQBTPQE-LBPRGKRZSA-N 242.363 2.243 0 40 BEAB c1ccc(C2=NCCN(c3ccccc3)N2)cc1 6222853 GDLJNFYUSJFWAS-UHFFFAOYSA-N 237.306 2.458 0 40 BEAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)O 6306478 MJOSQGRPLTUAHR-NSHDSACASA-N 241.331 2.182 0 40 BEAB O=C(NCc1ccco1)OCC(F)(F)F 7778758 WWQYNASZDIQLEL-UHFFFAOYSA-N 223.150 2.068 0 40 BEAB in-vitro CC(C)OC(=O)C[C@@H](N)c1ccccc1 7784522 VJZAAPSRRTVRQL-LLVKDONJSA-N 207.273 2.028 0 40 BEAB in-vitro CC[C@H](C)NC(=O)NCc1ccccc1 10277339 BXLJGDWVRRHQKX-JTQLQIEISA-N 206.289 2.284 0 40 BEAB CCc1ccc(CCC(=O)NCCCOC)cc1 10327946 COIBVNAULZZGMX-UHFFFAOYSA-N 249.354 2.334 0 40 BEAB Cc1cc(-c2cc(C(=O)O)no2)ccc1F 11801864 ADEOQCIJDWCCDW-UHFFFAOYSA-N 221.187 2.487 0 40 BEAB O=C(NCC1CC1)c1cnn(-c2ccccc2)c1 12866521 YOTVSSDLUQDRMW-UHFFFAOYSA-N 241.294 2.012 0 40 BEAB C[C@H](Cc1ccccc1)N1CCCC1=O 17014584 KNTBHAIKDZOOPI-LLVKDONJSA-N 203.285 2.240 0 40 BEAB O=C(O)Cc1coc(-c2cccs2)n1 19723062 KYLXRJJKQSNTHJ-UHFFFAOYSA-N 209.226 2.030 0 40 BEAB in-vitro C[C@@H](N)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 20594530 VTBIATVXDXCNEC-JIMOISOXSA-N 204.317 2.203 0 40 BEAB O=C(O)CCOc1ccc(F)c(Cl)c1 22142336 WZTNYDNNJNYXMT-UHFFFAOYSA-N 218.611 2.333 0 40 BEAB in-vitro Cc1nn(C)c(C)c1NC(=O)CC(C)(C)C 22838380 QVONJPSKRXQXCR-UHFFFAOYSA-N 223.320 2.412 0 40 BEAB CCOC(=O)c1cccnc1N1CCC(C)CC1 32826056 VTAFZRWVWJNWIU-UHFFFAOYSA-N 248.326 2.495 0 40 BEAB COc1cc(C)c(Br)c(CO)c1 34527856 OIUBVFPRPFQHKA-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB O=C(CCc1ccccc1)NCC1(O)CCCC1 36110420 BTAGETQCILRXMP-UHFFFAOYSA-N 247.338 2.041 0 40 BEAB CCCCN(C)c1ccnc(C(=O)O)c1 36896379 PDYWQLNFHUEBRG-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB in-vitro NCCNCc1ccc(Cl)c(Cl)c1 37712267 CWRHTFCUOFCTBJ-UHFFFAOYSA-N 219.115 2.042 0 40 BEAB Nc1cccc(OCc2cscn2)c1 38054819 IVIGYIAJQZNTTG-UHFFFAOYSA-N 206.270 2.304 0 40 BEAB in-vitro CC(=O)N1CCc2ccc(Cl)cc2C1 39310396 JYLGXYJNGDJZNE-UHFFFAOYSA-N 209.676 2.245 0 40 BEAB O=C(c1ccco1)N1CCO[C@@H]2CCCC[C@H]21 41194586 FVODVCOPXMIWGK-GHMZBOCLSA-N 235.283 2.063 0 40 BEAB CCN(CC)Cc1nc(CC(C)C)no1 42682850 RILFWHXLQIKGSS-UHFFFAOYSA-N 211.309 2.110 0 40 BEAB CS[C@H](C)C(=O)NCc1ccc(C)s1 48331623 MUTJMXMZXXLPRX-MRVPVSSYSA-N 229.370 2.424 0 40 BEAB CC(C)N(CCO)Cc1ccc(F)cc1 49824733 OXYPFZHNYHDAOA-UHFFFAOYSA-N 211.280 2.028 0 40 BEAB CC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 72208669 GDCSPCZJWMQSLC-LLVKDONJSA-N 243.347 2.404 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccc(N(C)C)nc1 72212631 SCQLRCKTBMZFBX-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB CNc1ncc([C@H]2CCCN2C(C)=O)cc1C 72218974 QYVRMQZAEPTZSN-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB CCN1C(=O)[C@@](C)(CCC(=O)O)c2ccccc21 72220937 BFVGSDZBMRANFM-AWEZNQCLSA-N 247.294 2.176 0 40 BEAB CC(C)N1CCN(CCC(C)(C)C)CC1 79216147 YLLDDJHKALMODR-UHFFFAOYSA-N 212.381 2.449 0 40 BEAB C[C@H](c1ccccc1)N1CC(O)(C2CC2)C1 84377132 GUCXNUUNIFTURC-LLVKDONJSA-N 217.312 2.204 0 40 BEAB c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)nc1 84610048 AANHORXFQWBTRE-KBPBESRZSA-N 232.327 2.225 0 40 BEAB C[C@@H](C(=O)O)N(C)Cc1ccc(F)c(Cl)c1 88046987 CKAKPXROXNNPQF-ZETCQYMHSA-N 245.681 2.384 0 40 BEAB O=c1[nH]c(CC2CC2)nc2sc3c(c12)CCC3 90066156 XYEYJDQLRHAFEK-UHFFFAOYSA-N 246.335 2.426 0 40 BEAB Brc1ccc([C@@H]2CCCNC2)nc1 95828444 PIGROURKQOAHBJ-MRVPVSSYSA-N 241.132 2.311 0 40 BEAB C[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1 96070657 JQCDZMAPDHVLLS-OUAUKWLOSA-N 238.356 2.142 0 40 BEAB CCN(CC)CC(=O)N(CC)C1CCCC1 97286879 OJNISGCFNWWRNK-UHFFFAOYSA-N 226.364 2.119 0 40 BEAB CC(C)(C)OC(=O)N[C@@]12CCC[C@]1(C)CNC2 146940567 GZHJMBJEWHKLIA-CHWSQXEVSA-N 240.347 2.043 0 40 BEAB CCn1ccnc1CN1CCCC[C@@H]1C 195513746 NFIIVWPXFDBKKX-NSHDSACASA-N 207.321 2.277 0 40 BEAB CCN(Cc1cnnn1C)c1ccccc1C 195579113 LBBZGLYZCVBBJM-UHFFFAOYSA-N 230.315 2.150 0 40 BEAB O=C(O)[C@H]1C[C@H]1Cc1ccc(F)c(F)c1 217824570 CJMOSIYQNXZRLV-SFYZADRCSA-N 212.195 2.228 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@H](C(C)C)CC[C@H]1C 245240570 QEDHJKYYYBPRDH-USWWRNFRSA-N 226.316 2.437 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@H]1N3)O2 248331777 HYWWUAGPPPYSGD-KMUNFCNLSA-N 243.306 2.223 0 40 BEAB COc1cccnc1N1CCC(F)(F)CC1 527996061 RDPIHSOPZIGMNQ-UHFFFAOYSA-N 228.242 2.326 0 40 BEAB C[C@@H]1COCCC12CN(C(=O)OC(C)(C)C)C2 575440766 BKWLHOFYHKJSBI-SNVBAGLBSA-N 241.331 2.280 0 40 BEAB COC(=O)Cc1cc(C)c(OC)cc1Cl 575713704 ZULYYVWTWZXKOM-UHFFFAOYSA-N 228.675 2.373 0 40 BEAB Cc1ccc([C@H]2NC(=O)[C@@H](C)S2)cc1 292851 FBQSULSZOOGTHJ-KCJUWKMLSA-N 207.298 2.245 0 40 BEAB [O-][n+]1ccc(-c2ccc(Cl)cc2)nc1 340561 LIVSMFBOUOQUBZ-UHFFFAOYSA-N 206.632 2.035 0 40 BEAB CSc1nc2sc(C)c(C)c2c(=O)[nH]1 480043 QPKFZYCUJGIWAW-UHFFFAOYSA-N 226.326 2.323 0 40 BEAB CN(C)S(=O)(=O)c1ccc2ccccc2c1 577332 CLDXNGNTFGIVFL-UHFFFAOYSA-N 235.308 2.090 0 40 BEAB COc1ccc(OCC(=O)N2CCCCC2)cc1 1733527 BHZVPIUWVAMVQX-UHFFFAOYSA-N 249.310 2.087 0 40 BEAB O=c1ccn2c(n1)S[C@H](c1ccccc1)C2 2022805 QFKQAYHUYGWWNA-JTQLQIEISA-N 230.292 2.090 0 40 BEAB CCNc1nnc(-c2cccnc2)s1 4992738 QONJAEJWWUUAQE-UHFFFAOYSA-N 206.274 2.032 0 40 BEAB CCc1ccc(C(=O)NC2=NCCS2)cc1 5171773 PVTAYDLYNDPGDX-UHFFFAOYSA-N 234.324 2.082 0 40 BEAB O=C(O)c1ccc(-c2ccc(O)nc2)s1 8764098 LUQAUEBXWGBRTH-UHFFFAOYSA-N 221.237 2.214 0 40 BEAB CCn1c2ccccc2[n+]2c(C)cc(C)nc12 12341663 UVUHFWNPFGPEEP-UHFFFAOYSA-N 226.303 2.412 0 40 BEAB CC(=O)N(c1nc2ccccc2n1C)C(C)C 13283665 RODLOGQEWBJUND-UHFFFAOYSA-N 231.299 2.335 0 40 BEAB N[C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 14008001 DEDUBZVXFIONOV-ZNMIVQPWSA-N 230.355 2.246 0 40 BEAB CCNC(=O)c1cccc(NC(=O)C2CCC2)c1 15022194 GJEPFPQOZRJAOL-UHFFFAOYSA-N 246.310 2.175 0 40 BEAB FC(F)(F)c1cc([C@H]2CCCCN2)n[nH]1 19686246 NIKHHHYYFBSTGU-ZCFIWIBFSA-N 219.210 2.243 0 40 BEAB CCN(CC)CCNCCc1ccccc1 19737639 WUIFHYMUVDPLHT-UHFFFAOYSA-N 220.360 2.161 0 40 BEAB O=C(NCC1CC1)c1cccc2ncccc12 26207138 CEYGLTCWLSDHEH-UHFFFAOYSA-N 226.279 2.375 0 40 BEAB Cc1ccccc1-c1nccc(C(=O)O)n1 26505938 PFYCIUZKPAQWJP-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CC[C@@H](C)C(=O)NCCc1cn2ccccc2n1 28509096 FFQNVWVVVYDCPS-LLVKDONJSA-N 245.326 2.039 0 40 BEAB CC(C)OC(=O)c1ccc2nsnc2c1 30714670 TXAWFJVUQZUBPL-UHFFFAOYSA-N 222.269 2.257 0 40 BEAB CCNC(=O)Nc1ccc(C(=O)OCC)cc1 32500440 MTBDXTGXRKPRBX-UHFFFAOYSA-N 236.271 2.005 0 40 BEAB O=C(c1ccc(-n2cccn2)cc1)N1CCCC1 32721322 BGYNCXHJKBCHJE-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB Cc1ccnc(NC(=O)C[C@H]2C=CCC2)n1 32859929 RFRGJRBBNXCTRF-JTQLQIEISA-N 217.272 2.080 0 40 BEAB CSCC(=O)NC1CCCCCC1 33028155 BJEREBXLIPLMSV-UHFFFAOYSA-N 201.335 2.188 0 40 BEAB Cc1ccccc1[C@H]1CCCN1S(C)(=O)=O 35476430 LLPRRNHAGDEQRB-GFCCVEGCSA-N 239.340 2.092 0 40 BEAB CC(C)[C@@](C)(O)C(=O)N[C@@H](C)c1ccccc1 36040035 HXXSZRVCROUSEW-SMDDNHRTSA-N 235.327 2.271 0 40 BEAB CCc1nc2ccc(Cl)cn2c1C(=O)O 36258908 AACCTXYABLUXPH-UHFFFAOYSA-N 224.647 2.248 0 40 BEAB in-vitro Cc1cccc(C(=O)Cc2ncc[nH]2)c1 36946668 KCFPQKCYLRGFFL-UHFFFAOYSA-N 200.241 2.144 0 40 BEAB O=C(c1ccc(Cl)cc1)c1ncccn1 37658101 CQXSPCXVLBTZST-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB in-vitro Cc1ccc(CCNC(=O)C2CCCC2)o1 40516534 VTNXLLLGWHWPFJ-UHFFFAOYSA-N 221.300 2.437 0 40 BEAB CCCc1ccc(C(=O)CCC(N)=O)cc1 41232560 MZWLKGAAAREQHZ-UHFFFAOYSA-N 219.284 2.087 0 40 BEAB CCc1ccc(OC2CNC2)c(Cl)c1 42769629 NOLPJUPBMMQPRR-UHFFFAOYSA-N 211.692 2.253 0 40 BEAB Fc1cccc(F)c1COC1CCNCC1 42782982 KZYQHVKFDQLNGA-UHFFFAOYSA-N 227.254 2.233 0 40 BEAB c1ccc2nc(NCC3CCNCC3)cnc2c1 44029862 YPKYXQAQACFKHO-UHFFFAOYSA-N 242.326 2.041 0 40 BEAB COc1ccc(F)cc1[C@H](O)C(F)(F)F 44353403 LKCCHQVMESHNSM-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CC(C)NC(=O)Cn1ccc2ccccc21 44448815 VBZOHRBNHXZONA-UHFFFAOYSA-N 216.284 2.166 0 40 BEAB Cc1nc(CNCc2ccccc2)c[nH]1 54797737 MOYYZLBUSUTCHM-UHFFFAOYSA-N 201.273 2.008 0 40 BEAB CO[C@@H](C)C(=O)N1CCC[C@@H]1C1CCCC1 56035453 VANPDXBSBXOEAL-CMPLNLGQSA-N 225.332 2.203 0 40 BEAB CCCCS(=O)(=O)c1ccc(C(C)=O)cc1 58018471 OGLWBROJGWFVDE-UHFFFAOYSA-N 240.324 2.463 0 40 BEAB COc1ccc(/C(C)=C/CN)cc1OC 69049612 XGEBWMKUVLZSHJ-RMKNXTFCSA-N 207.273 2.066 0 40 BEAB CCCC(=O)N(C)C1CCN(CCC)CC1 70264328 LWGYOLOVLSQEOO-UHFFFAOYSA-N 226.364 2.119 0 40 BEAB C[C@H](CN(C(=O)c1ccccc1)C1CC1)C(=O)O 71731005 FEKORTYTHATJSW-SNVBAGLBSA-N 247.294 2.012 0 40 BEAB Clc1ccc(CN[C@@H]2CCNC2)cc1Cl 72203643 QQGBVEVFLBEWKI-SECBINFHSA-N 245.153 2.445 0 40 BEAB CC(C)N1CCC[C@H]1c1ccc(O)nc1 72212256 GZYHPKZQODSIQD-NSHDSACASA-N 206.289 2.333 0 40 BEAB Cc1cc([C@@H]2CCCN2C(C)C)c[nH]c1=O 72217957 AMQQYOSDFVKWKU-LBPRGKRZSA-N 220.316 2.229 0 40 BEAB CC(C)(C)c1cc(N)c2oc(N)nc2c1 73642806 DGIFSNYMVKTRBO-UHFFFAOYSA-N 205.261 2.290 0 40 BEAB Cn1cc(CCCNc2ccccc2)cn1 89755645 LUAOKTLOSIWKBW-UHFFFAOYSA-N 215.300 2.465 0 40 BEAB BrC1=NO[C@@H]2CCCC[C@@H]12 95098327 FRMLJVTYXPWPDG-PHDIDXHHSA-N 204.067 2.284 0 40 BEAB CC[C@@](C)(NC(=O)CCC(C)(C)C)C(=O)O 95424539 GZSVDMANDQEQNY-GFCCVEGCSA-N 229.320 2.182 0 40 BEAB Clc1nccnc1Nc1ccncc1 96530013 MQCXAEVQLRTOSR-UHFFFAOYSA-N 206.636 2.269 0 40 BEAB CC1(C(=O)Nc2ncccc2F)CCC1 97110786 VYFOJKPUYRIVOZ-UHFFFAOYSA-N 208.236 2.349 0 40 BEAB Oc1c2c(nn1C1CCCC1)NCCC2 110751817 QIIJJAWYXDNEOF-UHFFFAOYSA-N 207.277 2.062 0 40 BEAB Fc1cnc(Cl)c([C@@H]2CCCN2)c1 114870372 BOVWNWQLMQRQFL-QMMMGPOBSA-N 200.644 2.299 0 40 BEAB CC(C)CC(=O)Nc1cnc(N2CCCC2)nc1 224245849 XWULOKUZBXYFFL-UHFFFAOYSA-N 248.330 2.061 0 40 BEAB CCCNC(=O)c1ccc2[nH]c(Cl)nc2c1 225973593 RUUXDEWMUGUMNP-UHFFFAOYSA-N 237.690 2.356 0 40 BEAB CC[C@](C)(CN[C@H]1C[C@H](C)O[C@H](C)C1)[C@H](C)O 245287339 CAKQDNXHLJAYON-ZUWCUPBKSA-N 243.391 2.329 0 40 BEAB CCCN1C(=O)N/C(=C/c2cccc(F)c2)C1=O 409251606 UYWWNOMZYGOMOE-DHZHZOJOSA-N 248.257 2.128 0 40 BEAB Fc1cnc(N2CCC[C@@H]2c2cccnc2)nc1 532619349 AKMZOQONWLMBPC-GFCCVEGCSA-N 244.273 2.352 0 40 BEAB CCc1c(O)nc2cccc(F)c2c1O 685937223 NWFCFXAYUUIZLS-UHFFFAOYSA-N 207.204 2.348 0 40 BEAB O=C(NC1CCCC1)N1CCC[C@H](CF)C1 711503912 WZAOYEOLPYFEBW-SNVBAGLBSA-N 228.311 2.320 0 40 BEAB Cc1ncnc(Nc2ccc(F)cn2)c1C 1775966003 ONDGZBUAPIPPNO-UHFFFAOYSA-N 218.235 2.371 0 40 BEAB CCOC(=O)c1cc(-c2ccc(C)cn2)on1 1857794038 ZJWMVIVUYQYFFY-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB Cc1cc(C)cc(C(=O)NC[C@@H]2CCCO2)c1 496693 MGNQSUMUPWDDEG-ZDUSSCGKSA-N 233.311 2.212 0 40 BEAB O=CNc1ccc2c(c1)[C@@H](O)c1ccccc1-2 1730703 JWTJFYMLLPEOKB-AWEZNQCLSA-N 225.247 2.317 0 40 BEAB COCc1c(C(=O)O)oc2ccccc12 3345162 JBBVMFGRVHQEBV-UHFFFAOYSA-N 206.197 2.277 0 40 BEAB in-vitro COC(=O)[C@H]1CC[C@](C)(C(C)=O)C1(C)C 3845935 WOEAGAZKQHACRT-BXKDBHETSA-N 212.289 2.191 0 40 BEAB biogenic Cc1ccc(NC(=O)C2CCC2)c(O)c1 8378833 VOOKKQGKKJBLPO-UHFFFAOYSA-N 205.257 2.439 0 40 BEAB O=C(CNc1cccc2c1CCCC2)NC1CC1 9221371 TWKUHOFSOAUWPD-UHFFFAOYSA-N 244.338 2.256 0 40 BEAB O[C@@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 12661730 KEVUJQHBGRUWPR-QNWHQSFQSA-N 209.333 2.022 0 40 BEAB CC(C)NC(=O)N[C@@H](C)c1ccccc1 12916800 UTFPHAVVQBCPNT-JTQLQIEISA-N 206.289 2.455 0 40 BEAB CN(C)CCCOc1ccc(N)cc1Cl 14630003 IIKDEFIJQFLTFB-UHFFFAOYSA-N 228.723 2.253 0 40 BEAB in-vitro Fc1ccc(O[C@H]2CCCNC2)c(F)c1 14631816 RUQZKIRDTVNUJB-VIFPVBQESA-N 213.227 2.096 0 40 BEAB CNc1ccccc1C(=O)Nc1ccncc1 16189482 FTGRJAQVYODSOA-UHFFFAOYSA-N 227.267 2.376 0 40 BEAB COCCCNCCOc1cc(C)ccc1C 19738578 XQAAVDBRCDVOKW-UHFFFAOYSA-N 237.343 2.308 0 40 BEAB CCCC(=O)Nc1ccc(OC(C)=O)cc1 21302745 KHLKMHSYARAPHL-UHFFFAOYSA-N 221.256 2.351 0 40 BEAB Nc1cc(Cl)ccc1N1CCCC1=O 21963254 ZEGLUXHUOCWBLH-UHFFFAOYSA-N 210.664 2.049 0 40 BEAB Cn1ccc(NC(=O)CSc2ccccc2)n1 27915598 TVKFDGROLHBTRE-UHFFFAOYSA-N 247.323 2.151 0 40 BEAB CC(C)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 29017351 QMIDQOXOYUJGJE-UHFFFAOYSA-N 240.690 2.033 0 40 BEAB C[C@@H]1CCCCN1C(=O)CCc1cccnc1 32747826 DVQLDHPAZCPTPC-GFCCVEGCSA-N 232.327 2.415 0 40 BEAB Cc1oc(C)c(C(=O)N2CCO[C@@H](C)C2)c1C 32873788 KATCEKFJPLVTQJ-QMMMGPOBSA-N 237.299 2.066 0 40 BEAB CC(C)[C@H]1CC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2CO 34557402 WCRQEYCIOPEQST-RFGFWPKPSA-N 224.344 2.216 0 40 BEAB biogenic CN(Cc1ccccc1F)C1CCNCC1 36300924 OUDOBRFGIQPWQO-UHFFFAOYSA-N 222.307 2.010 0 40 BEAB COC(=O)CCCOc1ccccc1C 37250977 UMCSBNAFYOVCHH-UHFFFAOYSA-N 208.257 2.327 0 40 BEAB Cc1ccccc1[C@H]1CN(C(=O)C2CC2)CCO1 41395314 ODMJIZDTGZEIKS-CQSZACIVSA-N 245.322 2.305 0 40 BEAB COc1ccc(C(=O)O)c(OC(C)C)c1 42372635 WHAPKQZDOXOUOQ-UHFFFAOYSA-N 210.229 2.181 0 40 BEAB in-vitro Cn1cc(NC(=O)Nc2ccccc2)cn1 43273257 OZIKEOOXPQPFAJ-UHFFFAOYSA-N 216.244 2.064 0 40 BEAB Clc1cccc(N2CCCNCC2)c1 44568231 FUSRAMJWPKVNRA-UHFFFAOYSA-N 210.708 2.140 0 40 BEAB COc1ccc(CN(C)C(=O)C2CC2)cc1 44818760 OKWDGFWPDDQDTK-UHFFFAOYSA-N 219.284 2.064 0 40 BEAB CC(C)NC(=O)Nc1cccc(-n2cccn2)c1 48488830 UPVIUBGMPDVTTQ-UHFFFAOYSA-N 244.298 2.402 0 40 BEAB COCc1cccc(C(=O)Nc2cc(C)n[nH]2)c1 48602491 ZPUKACAYFBCGDE-UHFFFAOYSA-N 245.282 2.117 0 40 BEAB CCN(CCCCCN)Cc1ccncc1 49580804 RXTZFWYINSIXAG-UHFFFAOYSA-N 221.348 2.033 0 40 BEAB CCN(C(=O)Cc1cccc(N)c1)C(C)C 52922378 JUHSSCVHXLTAPF-UHFFFAOYSA-N 220.316 2.068 0 40 BEAB CCc1cc(Cl)c(O)c(C(=O)O)c1 57339076 ANGCHPNKVVOHEZ-UHFFFAOYSA-N 200.621 2.306 0 40 BEAB CCn1cc(NC(=O)C2CCCC2)cn1 58393643 GXDSBWMCMQHCOL-UHFFFAOYSA-N 207.277 2.032 0 40 BEAB Cc1cccc([C@H]2CCCN2CCOCCO)c1 69979620 RPNQTJMJUDHERR-OAHLLOKOSA-N 249.354 2.141 0 40 BEAB CCOC(=O)C[C@H](C(C)C)N1CCCC1 70823508 DCNSLTXFAAPJQJ-LLVKDONJSA-N 213.321 2.060 0 40 BEAB COc1cccc(OC)c1[C@H]1CCCN1C(C)=O 72221413 KDAPPPWXQQUBTD-LLVKDONJSA-N 249.310 2.387 0 40 BEAB CC(=O)N1CCC(c2ccnc(Cl)c2)CC1 72343886 GBFBDGJEGSYPKU-UHFFFAOYSA-N 238.718 2.461 0 40 BEAB CC(C)N1CCC[C@H](c2nccnc2N(C)C)C1 72348465 PXJBQIKJYZCPNQ-LBPRGKRZSA-N 248.374 2.130 0 40 BEAB O=C(O)[C@@H]1CCc2cccc3[nH]cc1c23 75601874 VMNAXVYYDNIJGU-MRVPVSSYSA-N 201.225 2.282 0 40 BEAB C/C=C/C=C/c1nc(-c2cnccn2)no1 84136259 AVLWSLGDILWARE-MQQKCMAXSA-N 214.228 2.116 0 40 BEAB COc1ccc(Cl)cc1C1(CO)CC1 84393913 RWWICRSQTZCAGB-UHFFFAOYSA-N 212.676 2.373 0 40 BEAB COC(=O)[C@H]1O[C@@]1(C)c1ccccc1Cl 85657573 JOIFRFLAWONKLV-KOLCDFICSA-N 226.659 2.127 0 40 BEAB O=C(c1ccccn1)N1C[C@H]2CC=CC[C@@H]2C1 89878915 BMLDGTMWPQYVEM-VXGBXAGGSA-N 228.295 2.120 0 40 BEAB C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC1 89941519 WHHKWFFIYJKQHX-MFKMUULPSA-N 231.295 2.174 0 40 BEAB COC1(c2ccccc2)CCC(N)CC1 95095620 ZXWIWZGIMQXEFN-UHFFFAOYSA-N 205.301 2.430 0 40 BEAB COc1ccc2sc(C(N)=O)c(C)c2c1 95401781 FDFZNTRXDRZBAA-UHFFFAOYSA-N 221.281 2.317 0 40 BEAB Cc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](C)N2 95471672 DJVKJKTUBCAKLX-SKDRFNHKSA-N 228.299 2.380 0 40 BEAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCC1CC1 102824452 OPAFUGLDNDUAPN-UTUOFQBUSA-N 207.317 2.339 0 40 BEAB CC1=CCC(=O)C=[N+]1Cc1ccccc1 104227801 AMILRNRKOLIQDX-UHFFFAOYSA-N 200.261 2.147 0 40 BEAB O=C(CC1=CCCCC1)Nc1cnccn1 126971788 KNMBUZZLMBUXTN-UHFFFAOYSA-N 217.272 2.306 0 40 BEAB CN(N)c1ccc(C(Cl)(Cl)Cl)cn1 199545453 SPCJNWKQRDALOG-UHFFFAOYSA-N 240.521 2.218 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 230478247 KSFSPONBBCBZQT-DCAQKATOSA-N 241.331 2.014 0 40 BEAB c1cc(C[C@@H]2CC3(CCOCC3)CO2)ccn1 257272820 NDZOOWPXBIPDAK-CYBMUJFWSA-N 233.311 2.210 0 40 BEAB O=Cc1cccc(C(F)(F)F)c1C(=O)O 382676795 VENFMNSWUVTNRJ-UHFFFAOYSA-N 218.130 2.216 0 40 BEAB COC(=O)c1cnc2c(C)cccc2c1 382693786 JVBFZMFGINGTOA-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB Nc1cccc2cc(OCC(F)F)cnc12 685937518 ICIGETDMMRYBHA-UHFFFAOYSA-N 224.210 2.461 0 40 BEAB CSc1nc(NC(C)=O)nc(C)c1Cl 495436 PNYBVOMDWLKRBS-UHFFFAOYSA-N 231.708 2.119 0 40 BEAB CCN(CC)CCOC[C@H](O)c1ccccc1 2012780 KIZBMGPQRBWTEO-AWEZNQCLSA-N 237.343 2.078 0 40 BEAB CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 4962055 OTICEGQZKVSVIB-AWEZNQCLSA-N 233.311 2.214 0 40 BEAB CCCNCc1cccc(OC)c1OC 7262403 ZLOFCRNSPPHEGK-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB Cc1ccc(C(=O)NCc2ccccn2)cc1F 7847806 SAVBODTUJPWNKK-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB Cc1ccc(NCC(=O)O)c(Br)c1 8702697 CKVIJNUAGSESMB-UHFFFAOYSA-N 244.088 2.254 0 40 BEAB CC(C)(C)c1ccc(N2C[C@@H](CN)OC2=O)cc1 19669082 GDUQMACHIQRBPH-GFCCVEGCSA-N 248.326 2.268 0 40 BEAB O=C(Nc1cccc2cnccc12)[C@H]1CCCO1 21217274 IWAOLVPDTBIXAB-CYBMUJFWSA-N 242.278 2.352 0 40 BEAB C[C@@H](NC(=O)c1ccc2c(c1)CCO2)C1CC1 23111381 MOMCQSQRLIVDCF-SECBINFHSA-N 231.295 2.150 0 40 BEAB N=C(N)CCc1ccc(Br)s1 26896767 OMURUFUEUIVTIM-UHFFFAOYSA-N 233.134 2.379 0 40 BEAB C[C@@H](C(=O)Nc1ccccc1)n1cccn1 28192831 HPILDFIHIQPFLW-JTQLQIEISA-N 215.256 2.083 0 40 BEAB COc1cccc(O[C@@H](C)C(=O)N2CCCC2)c1 30863136 IPNDIMCFNUQPCT-NSHDSACASA-N 249.310 2.085 0 40 BEAB Cc1n[nH]c(NCc2cccc(Cl)c2)n1 35684093 LJYHHKUVCWNHNB-UHFFFAOYSA-N 222.679 2.379 0 40 BEAB COc1ccc(CCCNC(=O)C2CC2)cc1 36113224 GLAAVHMPIYJTIC-UHFFFAOYSA-N 233.311 2.154 0 40 BEAB O=c1ccc(-c2ccc(F)c(Cl)c2)n[nH]1 36168300 KRLDXKPZBLMJRE-UHFFFAOYSA-N 224.622 2.229 0 40 BEAB CC(C)(N)c1ccc(OC(F)F)cc1 37934560 ZIQRTADVNUAERV-UHFFFAOYSA-N 201.216 2.482 0 40 BEAB in-vitro CCOC(=O)[C@@H](CC)NCc1ccccc1 37952735 IZWBJQAUJRUHLC-GFCCVEGCSA-N 221.300 2.118 0 40 BEAB CCOC(=O)c1ncc(Br)s1 38540797 KSXFDPQRVVZYQJ-UHFFFAOYSA-N 236.090 2.082 0 40 BEAB in-vitro CCONC(=O)Cc1cccc(C(F)(F)F)c1 40476685 MIIHDBBMMLRIDA-UHFFFAOYSA-N 247.216 2.316 0 40 BEAB CCOC(=O)[C@@H](C)N1CCc2ccccc21 41391841 MQIRBGDRDKJLFQ-SNVBAGLBSA-N 219.284 2.001 0 40 BEAB Cc1ccccc1N(C)CCCC(=O)O 49987498 YSFNEYVRSVQZKY-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB FC(F)(F)c1cccc(OC2CCNCC2)n1 51865746 GSMSCEYHXDKAEC-UHFFFAOYSA-N 246.232 2.231 0 40 BEAB N[C@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1 54932934 YNTCCJKZJKQWFA-QWRGUYRKSA-N 213.227 2.223 0 40 BEAB COc1c(N)cc(C(C)C)cc1C(=O)O 57339106 RNWIWMJOOHWVMH-UHFFFAOYSA-N 209.245 2.099 0 40 BEAB Cc1ccc(CC2(O)CCOCC2)cc1 63076828 CYWDRDIFWMGOAB-UHFFFAOYSA-N 206.285 2.079 0 40 BEAB CSc1nncn1CCc1cccs1 69440772 WQRPUCABARWRBL-UHFFFAOYSA-N 225.342 2.304 0 40 BEAB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(C)no2)c1 69592318 AWCYJSSYZUXHEV-RYUDHWBXSA-N 248.330 2.227 0 40 BEAB CCN(CC)C(=O)CSc1ccc(C)cn1 71918208 PAUMUDYDPYDNOA-UHFFFAOYSA-N 238.356 2.351 0 40 BEAB CCOc1ccc(C2=NO[C@](C)(C(=O)O)C2)cc1 71980985 ATIMLYYECHUHQI-ZDUSSCGKSA-N 249.266 2.053 0 40 BEAB Nc1ccc(F)cc1[C@H](O)c1ccccc1 75870595 UQTSPPGSBDWROX-CYBMUJFWSA-N 217.243 2.490 0 40 BEAB CC(=O)c1c(N)sc2c1C[C@@H]1CC[C@H]2N1C 83744561 JVVYEWFPMWXSTB-IONNQARKSA-N 236.340 2.224 0 40 BEAB Cc1ccccc1-c1cnn([C@@H](C)CN)c1 85391505 BTIICKLDGUKPPF-NSHDSACASA-N 215.300 2.378 0 40 BEAB CNC(=O)c1c(C)cccc1NC(C)C 88532751 LTDRXRSEOCLPMI-UHFFFAOYSA-N 206.289 2.175 0 40 BEAB CCc1cc(C(=O)C(=O)OC)ccc1Cl 95729589 HFZSZBQMJKKCOM-UHFFFAOYSA-N 226.659 2.258 0 40 BEAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2CC1CC1 96055788 IGMNDBYSIAALRP-UONOGXRCSA-N 222.376 2.201 0 40 BEAB CC[C@H](O)CN[C@H](C)c1ccc(F)cc1F 96490723 RYXRORKABVYDHH-SCZZXKLOSA-N 229.270 2.386 0 40 BEAB O[C@@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)n1 97104631 FTIWTPOIIIKYGM-JGVFFNPUSA-N 246.232 2.426 0 40 BEAB CCOC(=O)[C@H]1CS[C@@H](C(CC)CC)N1 98072911 YZFDGJYGTWXSHY-ZJUUUORDSA-N 231.361 2.017 0 40 BEAB O=C(NCCc1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2 106509404 VQFBOIIAHHRCCG-IHRRRGAJSA-N 244.338 2.177 0 40 BEAB Cc1ccc(N[C@H](C(=O)O)C(C)C)c(N)c1 223771770 DYJUVCZFFVWESP-NSHDSACASA-N 222.288 2.098 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccnc(Cl)c1 257199757 AASDQWZEEPSPLL-JTQLQIEISA-N 224.691 2.418 0 40 BEAB COc1ccccc1-c1nc(-c2ncc[nH]2)no1 349760733 QRCIPSKBEQMJBZ-UHFFFAOYSA-N 242.238 2.135 0 40 BEAB COC(=O)c1c(C(C)C)n[nH]c1C(C)C 409441334 REKAJPKWZBNTLL-UHFFFAOYSA-N 210.277 2.443 0 40 BEAB NC[C@@H](O)c1ccc(-c2cccs2)o1 1775974512 ILCGALNDAPBEGL-SSDOTTSWSA-N 209.270 2.000 0 40 BEAB O=C(Nc1cccc2[nH]ncc12)c1ccco1 1396323 IMPBSVNHQWUXJE-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB COc1cccc(CCCNC(=O)C2CC2)c1 1544319 BWPYEQPMJHIYKY-UHFFFAOYSA-N 233.311 2.154 0 40 BEAB COc1ccccc1NC(=O)NN1CCCCC1 2654193 GRRVPCGBRMCCFK-UHFFFAOYSA-N 249.314 2.218 0 40 BEAB CC[C@]1(C)NC(=O)N(Cc2ccccc2C)C1=O 3345245 BMPGALAYMDPMHS-AWEZNQCLSA-N 246.310 2.216 0 40 BEAB COc1ccc(NC(=O)N2CCCC2)cc1 12916663 RHJVDHVGMVIFPG-UHFFFAOYSA-N 220.272 2.323 0 40 BEAB CC(C)NC(=O)NCCc1ccccc1F 12986903 TXXWIXICOYMQEQ-UHFFFAOYSA-N 224.279 2.076 0 40 BEAB Nc1c[nH]nc1-c1cccc(Br)c1 16698734 LSWAJOCDHZIWDU-UHFFFAOYSA-N 238.088 2.421 0 40 BEAB CCCOCCOc1ccccc1C=O 20131600 ILEGSTFNKAJYCJ-UHFFFAOYSA-N 208.257 2.305 0 40 BEAB Cc1cc(NC(=O)C2CCC2)ccc1N 20157093 AUEIRXJZHCFRKI-UHFFFAOYSA-N 204.273 2.316 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC[C@@H](CO)O2 21989120 ZBJCYZPANVLBRK-NDBYEHHHSA-N 228.332 2.183 0 40 BEAB endogenous,in-man CC(C)=CC(=O)Nc1cccnc1-n1cccn1 23177130 ZUVZNZPLKIOBSZ-UHFFFAOYSA-N 242.282 2.172 0 40 BEAB COCc1cccc(NC(=O)c2cc(C)no2)c1 25335227 UHITYLFJKYGSBI-UHFFFAOYSA-N 246.266 2.382 0 40 BEAB CCn1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 28575797 GKPYVWKXWHEVNN-PHIMTYICSA-N 235.331 2.021 0 40 BEAB COc1ccccc1C(=O)c1ccccn1 32222757 JKSBOLDIANUQNL-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB in-vitro CN(C)C(=O)[C@H]1CCCN1CC1CCCCC1 32851161 SPEGOGRONYUXTI-CYBMUJFWSA-N 238.375 2.119 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@@H]2C)n1 32909240 IYQOXGBQNVBZID-NSHDSACASA-N 218.300 2.405 0 40 BEAB Brc1scc2c1CCNC2 35269708 XRGUCVYYQLZQPV-UHFFFAOYSA-N 218.119 2.156 0 40 BEAB CC[C@H](C)NC(=O)CC1(C(=O)O)CCCCC1 35721110 DWPQSIAUUMZYHJ-JTQLQIEISA-N 241.331 2.326 0 40 BEAB CCC(CC)C(=O)N1CCOCC1(C)C 36101943 LIXSRRAGZNKVAO-UHFFFAOYSA-N 213.321 2.060 0 40 BEAB CC(C)C(=O)Nc1ccn(-c2ccccc2)n1 36391811 FOCBIFFBYYLQDI-UHFFFAOYSA-N 229.283 2.467 0 40 BEAB CC(C)[C@H](C)N[C@@H](C)c1nnc2ccccn12 36969001 NEFNANGNQCAHHR-QWRGUYRKSA-N 232.331 2.424 0 40 BEAB NC[C@H](c1cc(F)ccc1F)N1CCCCC1 37233508 JRJHALBZLWFAFK-CYBMUJFWSA-N 240.297 2.451 0 40 BEAB CN(C)[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1 37358416 HAPWJZPZKWIJFS-SECBINFHSA-N 247.216 2.393 0 40 BEAB CO[C@@H](CN)c1ccc(Br)cc1 42956378 LBVJDSQRRDQZAY-VIFPVBQESA-N 230.105 2.095 0 40 BEAB CCCN(C[C@H]1CCCO1)C[C@H]1CCCO1 47774510 TZLSROQHCMBDKY-CHWSQXEVSA-N 227.348 2.056 0 40 BEAB CCCCCNC(=O)Nc1cccnc1OC 48278744 TURPCWGOCFQRQK-UHFFFAOYSA-N 237.303 2.402 0 40 BEAB COc1ncccc1NC(=O)N1CCC[C@@H](C)C1 48286099 AWOGDIFALJLRIV-SNVBAGLBSA-N 249.314 2.354 0 40 BEAB C[C@H]1CC[C@@H](C)N1c1ncnc2[nH]ccc12 66251007 OBTMEDIKWQTUGY-DTORHVGOSA-N 216.288 2.335 0 40 BEAB COc1cc(C)c([C@H]2CCCCN2)cn1 72218029 KWRPJCGNACVQII-LLVKDONJSA-N 206.289 2.213 0 40 BEAB C[S@](=O)c1ccc(NC(=O)C(C)(C)C)cc1 72298060 XDEVNGQAFYMRJU-MRXNPFEDSA-N 239.340 2.409 0 40 BEAB Cc1ccc(Br)c(N)c1F 75843649 OFUBZJVWLWYHRI-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB Cc1cccn2cc(Br)nc12 79047834 PCNPPIXVSSKWNV-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB CCc1cnc(NC(=O)c2ccccn2)s1 79836019 GGZIGRZHICYLLI-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB C[C@@H]1CCC[C@H]1Nc1cccc(C(N)=O)c1 83389876 IPAFVINMSOCLSX-BXKDBHETSA-N 218.300 2.386 0 40 BEAB O=C1Cc2ccc(Cl)c(Cl)c2N1 84199206 OMAKMKCWKMCZJS-UHFFFAOYSA-N 202.040 2.488 0 40 BEAB C[C@H](SC[C@H](O)CO)c1ccccc1Cl 95407559 CBFZXGWCUUALQN-DTWKUNHWSA-N 246.759 2.487 0 40 BEAB O=c1[nH]sc2cc(Br)ccc12 96304652 NPBXGVBQTLWACD-UHFFFAOYSA-N 230.086 2.352 0 40 BEAB C[C@@H](c1ccccn1)N(C)Cc1csnn1 97375253 QVBCRSSFTNCKQI-VIFPVBQESA-N 234.328 2.126 0 40 BEAB Cc1nc(I)cs1 98179164 RMRJOGCAGPGZBU-UHFFFAOYSA-N 225.054 2.056 0 40 BEAB Cc1nn2c(=S)nc3ccccc3c2[nH]1 102097448 OHYMWNARIQBYDT-UHFFFAOYSA-N 216.269 2.249 0 40 BEAB in-vitro CCOCCCNC(=O)Cc1ccc(CC)cc1 158312937 GFJOESCEULIRHU-UHFFFAOYSA-N 249.354 2.334 0 40 BEAB CCCCS(=O)(=O)Nc1ccnc(Cl)c1 194682739 OWACXODCTONWNI-UHFFFAOYSA-N 248.735 2.277 0 40 BEAB Cc1ccccc1C[C@@H](OC(C)C)C(=O)O 220392505 RQPBMQZEFMUIGT-GFCCVEGCSA-N 222.284 2.416 0 40 BEAB Cc1cc(N[C@@H](C(=O)O)C(C)C)cc(C)c1N 223773619 BGWCMBMQUJQUTR-GFCCVEGCSA-N 236.315 2.407 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](CO)[C@@H]12 242688457 VQLQJLNARBICNV-JDDHQFAOSA-N 238.249 2.218 0 40 BEAB CO[C@H]1CN(C(=O)CSC(C)C)CC[C@@H]1C 527135255 WJJQDDRBGGMCLH-QWRGUYRKSA-N 245.388 2.011 0 40 BEAB COc1cc(O)cc(OC)c1C(F)F 575629344 RHNMKLYJYVZFLT-UHFFFAOYSA-N 204.172 2.347 0 40 BEAB C[C@]12CO[C@]3(CCCN)C[C@H]1CC[C@]23C 583929826 MXLAHXPMNMBDKB-YVECIDJPSA-N 209.333 2.321 0 40 BEAB c1cc(O[C@@H]2CCSC2)nc(C2CC2)n1 585651535 FDNWZHFAPRCQBG-SECBINFHSA-N 222.313 2.238 0 40 BEAB CCC(=O)c1cc(OC)c(OC)cc1OC 81248 KUQHFNICKXWOBZ-UHFFFAOYSA-N 224.256 2.305 0 40 BEAB endogenous,in-man CCc1nnc(NC(=O)[C@H](C)CC)s1 364506 WVDHUZKDNGADJF-ZCFIWIBFSA-N 213.306 2.085 0 40 BEAB Cc1ccc(N2C(=O)c3cccnc3C2=O)cc1 378295 LPUVIOCMIIBQAG-UHFFFAOYSA-N 238.246 2.191 0 40 BEAB O=P1(Nc2nccs2)CC=CC1 978100 CGCKEWMGMRWUPX-UHFFFAOYSA-N 200.203 2.403 0 40 BEAB O=C(NCc1ccccc1)C(F)(F)Cl 1402808 MGSLNCQFARYTLC-UHFFFAOYSA-N 219.618 2.134 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cccnc1 1456455 VDURFWVFJPZWIE-GFCCVEGCSA-N 218.300 2.486 0 40 BEAB CC(C)N1CCc2cc3c(cc2C1)OCO3 1704003 ZROVRFKCUNXEBM-UHFFFAOYSA-N 219.284 2.182 0 40 BEAB biogenic CCC(=O)OCCCC[C@@H]1COC(C)(C)O1 2042427 IXCORYWEMAUKRJ-SNVBAGLBSA-N 230.304 2.261 0 40 BEAB COc1ccc(-c2cc(N)on2)cc1F 3704651 YWNGQKIWTGJIIR-UHFFFAOYSA-N 208.192 2.072 0 40 BEAB CC1=NN(CCC(=O)O)[C@@H](c2ccccc2)C1 4210472 WZYWCUCEJOQUKY-GFCCVEGCSA-N 232.283 2.284 0 40 BEAB Cc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2C)cc1 4908981 OLCUMBNISUKLNG-ZDUSSCGKSA-N 241.294 2.202 0 40 BEAB O=NN(Cc1cccnc1)Cc1cccnc1 4962851 WVYLFDZUUKGNJV-UHFFFAOYSA-N 228.255 2.160 0 40 BEAB CCn1c(SCc2ccc(C)cc2)n[nH]c1=O 9514478 GGNDZNCHFYXCMA-UHFFFAOYSA-N 249.339 2.192 0 40 BEAB O=c1[nH]ncc(NCCc2ccccc2)c1Cl 13571193 ZJVSMNUQLFPGLA-UHFFFAOYSA-N 249.701 2.078 0 40 BEAB Cc1cc(=O)[nH]c2nc(N3CCCCC3)sc12 16266723 XDMCOBPLIGGGSU-UHFFFAOYSA-N 249.339 2.283 0 40 BEAB Cn1c(CNC[C@H]2CCCO2)cc2ccccc21 16941681 PHCDCGOCZGADJE-CQSZACIVSA-N 244.338 2.447 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(N)c2)C1 19259283 NRYJKVJXOIMLCQ-QWRGUYRKSA-N 232.327 2.387 0 40 BEAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(C)=O 22864622 NNJMNDRVJABYSY-UHFFFAOYSA-N 246.266 2.221 0 40 BEAB Cc1cccc(C(=O)NC2CCCCC2)n1 24244030 ATDFTDTWDQJCRX-UHFFFAOYSA-N 218.300 2.453 0 40 BEAB CCN(CC)C(=O)c1cc(-c2ccco2)[nH]n1 30653703 WEBNCVJNXWIRHM-UHFFFAOYSA-N 233.271 2.152 0 40 BEAB C[C@H]1c2cccn2CCN1C(=O)c1ccncc1 30797127 NIJLRJBNANHBLU-NSHDSACASA-N 241.294 2.100 0 40 BEAB CCOc1ccc2c(c1)[C@H](C)C(=O)N2C 34585998 JMRWLRFPUMZEGA-QMMMGPOBSA-N 205.257 2.165 0 40 BEAB CC(C)c1ccc([C@@H](CN)CC(=O)O)cc1 36258725 UUAKZTNGLZQOEB-GFCCVEGCSA-N 221.300 2.327 0 40 BEAB Cc1[nH]ncc1CNc1ccc(O)cc1 37132190 QSTMBNRKWLIAGA-UHFFFAOYSA-N 203.245 2.036 0 40 BEAB in-vitro O=C(O)c1nc(F)c(Cl)cc1Cl 38252064 VBKXFLGTPFVXAC-UHFFFAOYSA-N 209.991 2.226 0 40 BEAB CC/C=C(\C)C(=O)NCc1cccnc1OCC 40522334 NZEFHNDKQGZWOH-YRNVUSSQSA-N 248.326 2.453 0 40 BEAB CN(C)c1nc(Cl)cc(C(C)(C)C)n1 40887694 PKDSKQOEXFVPOV-UHFFFAOYSA-N 213.712 2.494 0 40 BEAB CNC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48645221 DMSYDHDVMPURTN-LLVKDONJSA-N 244.298 2.039 0 40 BEAB CCOc1ccccc1[C@H](C)N[C@@H](C)C(=O)O 49354289 JWIDPYZBSDOXSI-UWVGGRQHSA-N 237.299 2.209 0 40 BEAB CC[C@H](C)NC(=O)CN(C)c1ccccc1 58330294 SKJWGZPRPRXBNN-NSHDSACASA-N 220.316 2.038 0 40 BEAB C[C@@H](CCc1ccco1)NC(=O)N1CCCC1 58692803 VDOAMEUGEABSSQ-NSHDSACASA-N 236.315 2.406 0 40 BEAB O=C(O)C[C@H]1CCc2cc(F)ccc2C1 60047127 JJRFXMTURKSVLL-QMMMGPOBSA-N 208.232 2.405 0 40 BEAB in-vitro OC1(c2ccc(Cl)cc2)CCOCC1 63076815 IIHLHMAEWHNWIL-UHFFFAOYSA-N 212.676 2.338 0 40 BEAB CSCCC(=O)NCc1ccc(C)s1 65539408 GVTZRROKOSLUGR-UHFFFAOYSA-N 229.370 2.426 0 40 BEAB Cc1cnn(C[C@H](C)NCc2cccs2)c1 69493209 UKMFDKJYQBFOQL-NSHDSACASA-N 235.356 2.431 0 40 BEAB COc1ncc([C@@H]2CCCCN2C=O)cc1C 72217753 ZQNKHIFVEMQECX-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB NC(=O)Nc1ccc(F)cc1OCC1CC1 72294273 IBJAVAWWXRSBSH-UHFFFAOYSA-N 224.235 2.105 0 40 BEAB O=C(NC[C@H]1COc2ccccc21)c1ccco1 74913459 USKJRGQAWHMVGA-JTQLQIEISA-N 243.262 2.186 0 40 BEAB COCCCOC(=O)c1cccc2cc[nH]c12 76090151 AMSPPGFWTLRVDP-UHFFFAOYSA-N 233.267 2.361 0 40 BEAB CC[C@H](c1ccccc1)N(C(=O)CN)C(C)C 79421172 NRGVNVWOAJDIMH-CYBMUJFWSA-N 234.343 2.333 0 40 BEAB COC(=O)CSc1ccc([C@@H](C)O)cc1 82616846 FEGPLPASIVWVQN-MRVPVSSYSA-N 226.297 2.005 0 40 BEAB Brc1cncc(-c2ncc[nH]2)c1 82733984 YFFDWLLFKKJMGX-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB in-vitro COC(=O)c1cc(Cl)nc(C(C)C)n1 85391077 XWHYWMUQIXKFNI-UHFFFAOYSA-N 214.652 2.040 0 40 BEAB FCCOc1ccc(CNC2CC2)cc1 87774240 DNOJJIHCQXPUTF-UHFFFAOYSA-N 209.264 2.287 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N[C@@H](c1nccs1)C1CC1 89920458 CDPJTLQMFOROOW-SZEHBUNVSA-N 236.340 2.366 0 40 BEAB CCOCCN(C)C(=O)NC[C@H]1CC=CCC1 93403490 MRYOAWHWJDXZBT-LBPRGKRZSA-N 240.347 2.021 0 40 BEAB CCOP(=O)(OCC)[C@@H](CC)C(=O)O 95863164 NETDVWKQOUDENP-ZETCQYMHSA-N 224.193 2.116 0 40 BEAB C[C@@](F)(C(N)=O)c1ccc(Cl)cc1 96171626 FMFFROUIYORPIL-VIFPVBQESA-N 201.628 2.010 0 40 BEAB Cc1cnc(NCc2c(C)noc2C)nc1C 132771516 ZPCSSBPTPIMQDR-UHFFFAOYSA-N 232.287 2.310 0 40 BEAB Cn1ncnc1CSCCC(C)(C)C 187506839 JBRFUOUFTTWAHW-UHFFFAOYSA-N 213.350 2.485 0 40 BEAB CCN(Cc1ccoc1)C(=O)[C@@H](N)CC(C)C 195554206 HXUCDAVNSBRIMC-LBPRGKRZSA-N 238.331 2.002 0 40 BEAB Cc1ccc(CN[C@H]2CCCC[C@@H]2N)cc1 218854648 ONBQDJOJQCEANE-KBPBESRZSA-N 218.344 2.355 0 40 BEAB COc1ccccc1/C=C1\SC(=O)N(C)C1=O 408814007 GOZXLYISSSPVPP-YFHOEESVSA-N 249.291 2.361 0 40 BEAB CCCC(=O)Nc1nnc([C@H]2CCCO2)s1 149466 UHEFSNIYCNMYSL-SSDOTTSWSA-N 241.316 2.128 0 40 BEAB c1ccc(-c2nnn(-c3ccccc3)n2)cc1 173808 OJPYZWGULWNRSE-UHFFFAOYSA-N 222.251 2.329 0 40 BEAB CCOc1cc(NC(C)=O)cc(NC(C)=O)c1 346109 SQHKOQCZKYUUHR-UHFFFAOYSA-N 236.271 2.002 0 40 BEAB COC(=O)CCCCCCCC(C)=O 1685361 HBEFOKAECCZCNW-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB Cc1ccc2c(C)c(C)c(=O)n(C)c2c1 1700653 HHAGIPIEYOXBML-UHFFFAOYSA-N 201.269 2.464 0 40 BEAB CC(=O)SCc1nc2ccccc2[nH]1 1865497 OSGMPYDODXDMGX-UHFFFAOYSA-N 206.270 2.343 0 40 BEAB CSc1nnc(Cc2ccccc2)n1C 2524059 ZORSNNHONOBILB-UHFFFAOYSA-N 219.313 2.128 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCC[C@@H]1C 2782034 RQRCWQHWRXZXDQ-CABZTGNLSA-N 249.358 2.345 0 40 BEAB Cc1ccc(C(=O)c2ccco2)cc1N 8703240 SACXBPFQMJPHSO-UHFFFAOYSA-N 201.225 2.401 0 40 BEAB N=C1c2c(sc3c2CCCC3)NC2=NCCN12 12016171 ZZWSJOPDTAEUEX-UHFFFAOYSA-N 246.339 2.049 0 40 BEAB COc1ccccc1OCC(=O)NC1CCCC1 14180310 BALOAWVUBDNHKJ-UHFFFAOYSA-N 249.310 2.133 0 40 BEAB CCCC[C@@H](CC(F)(F)F)C(O)O 14628466 ZAEIQOLUTRNIRG-LURJTMIESA-N 200.200 2.056 0 40 BEAB O=C(C[C@@H](O)c1ccncc1)c1ccccc1 15860019 GMYRGNADPRBJJK-CQSZACIVSA-N 227.263 2.388 0 40 BEAB NC[C@H](c1c[nH]c2ccccc12)N1CCCC1 19779371 HDFMTMKGSKNKOH-CQSZACIVSA-N 229.327 2.264 0 40 BEAB CCOc1ccc(N)cc1C(=O)N[C@H](C)CC 20155785 JYHSVSKJYYOSFB-SECBINFHSA-N 236.315 2.196 0 40 BEAB COc1cc(N)ccc1NC(=O)C1CCC1 21956700 NCZAZMNYJBDQSB-UHFFFAOYSA-N 220.272 2.016 0 40 BEAB CC(=O)Nc1cccc(NC(=O)NC(C)C)c1 24509842 HSGRJAPOQDWCFJ-UHFFFAOYSA-N 235.287 2.175 0 40 BEAB Cc1nsc(NC(=O)c2ccc(F)cc2)n1 27664585 KAHPGEOUMFHGIS-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB O=C(NCc1cccnc1)c1ccc(F)cc1F 28210707 LEYWANCEIACOOP-UHFFFAOYSA-N 248.232 2.290 0 40 BEAB Cc1cc(C)nc(NC(=O)OCC(F)(F)F)n1 32628811 JBXKUVLIHRVLQJ-UHFFFAOYSA-N 249.192 2.204 0 40 BEAB C[C@H]1c2cccc(C(=O)N(C)C)c2O[C@@H]1C 32820092 NSSNZERKLFXAST-RKDXNWHRSA-N 219.284 2.273 0 40 BEAB CC(C)(C)C(=O)NCc1ccc2c(c1)OCCO2 32971849 YKGLXDPVMMIXMJ-UHFFFAOYSA-N 249.310 2.120 0 40 BEAB CCOCCNCc1ccccc1Cl 35098226 MXZKJWFUNIZMSO-UHFFFAOYSA-N 213.708 2.466 0 40 BEAB CC(C)c1nnc(-c2ccc(N)cc2)o1 50308855 GZOBBMFCRXLFOI-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB CNC[C@H](OC1CCOCC1)c1ccccc1 50485754 VCTLGPIHMRJJOH-AWEZNQCLSA-N 235.327 2.143 0 40 BEAB Cc1ccc(C)c(NC(=N)NC2CC2)c1 52069605 IYMJWBVVRJLKLZ-UHFFFAOYSA-N 203.289 2.402 0 40 BEAB C[C@@H](NCc1ccncn1)c1cccc(O)c1 54789526 UHHQPBLMBLQFFE-SNVBAGLBSA-N 229.283 2.033 0 40 BEAB CCCn1c(=S)[nH]c2cc(C)n(C)c2c1=O 57352370 YBMVHNKWLPKTOU-UHFFFAOYSA-N 237.328 2.116 0 40 BEAB Cc1nc2ccc(NC(=O)C3CC3)cc2o1 58246562 YJWSSCMRRXTXTH-UHFFFAOYSA-N 216.240 2.485 0 40 BEAB CNC(=S)N(C1CC1)[C@@H](C)c1ccccn1 66006563 LHDPSKJDMUBCFD-VIFPVBQESA-N 235.356 2.111 0 40 BEAB COc1cccc([C@@H](O)c2ccoc2)c1 68890714 CNFQREDZCHNFKR-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB CC[C@H]1CN(CCC(C)C)CCN1CCOC 69739259 MSMBHQXUFHQNJR-AWEZNQCLSA-N 242.407 2.075 0 40 BEAB COC(=O)c1ccc(NC(C)(C)C)nc1 72225824 AZMLLXPUGIAKFL-UHFFFAOYSA-N 208.261 2.079 0 40 BEAB COc1ccccc1OC[C@H]1CCCN(C)C1 72367684 UOPIIEOERRIKDC-LBPRGKRZSA-N 235.327 2.416 0 40 BEAB O=C(O)c1c(C(F)(F)F)nc2ccc(F)cn12 74536176 MFEPRFIPBFWZKA-UHFFFAOYSA-N 248.135 2.190 0 40 BEAB OCc1c(Br)cc(F)c(F)c1F 75925991 BNIXKLPDUMIALR-UHFFFAOYSA-N 241.006 2.359 0 40 BEAB O=C(O)CCCn1c(S)nc2ccccc21 75953459 NNZJEMDMHCDBFK-UHFFFAOYSA-N 236.296 2.190 0 40 BEAB Cc1cccc(NC(=O)CN(C)CCF)c1C 76093281 CNOXEHUEVCLPOT-UHFFFAOYSA-N 238.306 2.143 0 40 BEAB CCCN(C)C[C@H]1CCN(Cc2ccncc2)C1 79014968 IVPPKMKBFCXONL-OAHLLOKOSA-N 247.386 2.245 0 40 BEAB CCNC(=O)NCc1cc(C(CC)CC)no1 80581182 IIQZVPYRMGNOBF-UHFFFAOYSA-N 239.319 2.397 0 40 BEAB COc1cncc(N2C[C@H]3CCCC[C@@H]3C2)n1 86187608 KUTVBACYIQMQDW-GHMZBOCLSA-N 233.315 2.112 0 40 BEAB CN(C)C(=O)c1cnn(C2CCCCC2)c1 89312155 XFQYCTOVKRUDMW-UHFFFAOYSA-N 221.304 2.090 0 40 BEAB Cc1cc(Cl)cc(C)c1CN[C@H](C)CO 95441228 CSRKXHMUCKWHKT-SNVBAGLBSA-N 227.735 2.427 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCOCC12CCCC2 95447590 DUHGCVSHTLGFCG-UHFFFAOYSA-N 248.326 2.108 0 40 BEAB COC[C@H](C)N(C)c1ncnc2sccc12 95951833 QCQGTOQHCHDZIX-QMMMGPOBSA-N 237.328 2.162 0 40 BEAB CC[C@@H](O)Cc1ccc(OC)cc1OC 96543499 BCLPECHFDIGWEH-SNVBAGLBSA-N 210.273 2.017 0 40 BEAB CSC(C)(C)CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102707267 SQSOSDVBJIFKSI-DCAQKATOSA-N 239.384 2.456 0 40 BEAB CC(=O)c1cnc2cc(C)ccc2c1O 148941559 UERVTXVJOSXNDG-UHFFFAOYSA-N 201.225 2.451 0 40 BEAB Cc1nn(CCC(C)(C)C)c(C)c1CCO 187197910 OXMDOVSAWOKUAA-UHFFFAOYSA-N 224.348 2.471 0 40 BEAB NC[C@H]1C[C@]12CCOc1ccc(Cl)cc12 218685848 OJTLHRANFACQCV-PRHODGIISA-N 223.703 2.339 0 40 BEAB Cc1c[nH]c([C@@H]2CCCN(c3ccncc3)C2)n1 257293008 QNUIBMQJISTPBG-GFCCVEGCSA-N 242.326 2.497 0 40 BEAB Fc1ccc(N2C[C@@H]3CCC[C@H]3C2)nc1 283706539 DFYJRIGBUAKXKN-UWVGGRQHSA-N 206.264 2.457 0 40 BEAB COc1ccc(NCc2cnn(C)c2)cc1 2536123 QINWXCQAEMLVHW-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB CCC[C@@H](C)NC(=O)COc1ccccc1 2831834 ADJRZWSPFYESOJ-LLVKDONJSA-N 221.300 2.370 0 40 BEAB CSc1ccc(NC(=S)NN(C)C)cc1 6374853 SWCJXGNMWSDMRR-UHFFFAOYSA-N 241.385 2.172 0 40 BEAB C[C@@H](NC1=NCCO1)c1ccccc1Cl 6443413 HGHUIMUBLYEQDT-MRVPVSSYSA-N 224.691 2.377 0 40 BEAB Cc1ccccc1CN1CCC[C@@H](C(=O)O)C1 6451551 PMQYQFAXHRNQCW-CYBMUJFWSA-N 233.311 2.292 0 40 BEAB in-vitro Nc1ccc2nc(-c3ccccc3N)[nH]c2c1 6493935 KFVQCKUJPKBKMU-UHFFFAOYSA-N 224.267 2.394 0 40 BEAB CNC(=O)CSc1ccccc1Cl 12912935 NQCFMVKXPKQDJJ-UHFFFAOYSA-N 215.705 2.178 0 40 BEAB CC(=O)c1c(C)nc(C2CC2)nc1S 15480604 PUSRIXQYPUPNCA-UHFFFAOYSA-N 208.286 2.154 0 40 BEAB CC12CN3CC(C)(CN(C1)C3c1ccco1)C2 19322363 GJHIOQYKFOFHGN-UHFFFAOYSA-N 232.327 2.326 0 40 BEAB biogenic Oc1cccc(CNCC(F)(F)F)c1 19482265 DGLYEOVCEMWDSQ-UHFFFAOYSA-N 205.179 2.044 0 40 BEAB CCc1cccc2cc3c(nc12)OCCNC3 19523035 VKAANPQTVOPQEW-UHFFFAOYSA-N 228.295 2.279 0 40 BEAB O=C(O)c1ccc2c(CN3CCCC3)c[nH]c2c1 19702826 IAFZXXDJEKTIQJ-UHFFFAOYSA-N 244.294 2.462 0 40 BEAB CN(CCC(=O)O)c1ccc(F)c(Cl)c1 20133796 HRQRLXNCNXTZDN-UHFFFAOYSA-N 231.654 2.390 0 40 BEAB CCn1cc(NCc2ccc(O)c(OC)c2)cn1 20352810 GXRCVMBVARPOKV-UHFFFAOYSA-N 247.298 2.229 0 40 BEAB C[C@H](Nc1ccc2nncn2n1)c1ccccc1 20730097 MZJWHOKJUQBVSF-JTQLQIEISA-N 239.282 2.297 0 40 BEAB NCc1cccc(NC(=O)c2ccccc2)c1 21959386 XGIXEORXPRJHOC-UHFFFAOYSA-N 226.279 2.398 0 40 BEAB in-vitro O=C(O)c1cncn1-c1ccccc1Cl 22199870 VOPRHFSAKIIXGE-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB Cc1cc(NC(=O)Cc2cccc(F)c2)no1 24152692 ZMDRCGDUAJNEKZ-UHFFFAOYSA-N 234.230 2.303 0 40 BEAB CCCn1ccc(C(=O)Nc2ccc(C)cn2)n1 27971524 KWRXCJBZIMITIU-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB CCOc1ccc(-c2nsc(N)n2)cc1 27992086 ZVGKCPCVOCHBRA-UHFFFAOYSA-N 221.285 2.186 0 40 BEAB CCOC(=O)c1cc(OC)c(C)c(OC)c1 30714952 CDUBXHQKWFDMED-UHFFFAOYSA-N 224.256 2.189 0 40 BEAB c1cc2[nH]ncc2cc1N[C@@H]1CN2CCC1CC2 36989642 JHKAKBRKPHFNAU-CQSZACIVSA-N 242.326 2.069 0 40 BEAB O=C(O)C1(NC2CCCC2)Cc2ccccc2C1 37969291 MVSKWKBSATZWBF-UHFFFAOYSA-N 245.322 2.141 0 40 BEAB O[C@H](c1ccoc1)c1ccc2c(c1)OCCO2 40247358 PYDOJKMOUBBBIM-ZDUSSCGKSA-N 232.235 2.133 0 40 BEAB CC(C)(C)c1nc([C@H]2CCCCN2)no1 40443331 PFQFVDKAGUJFEJ-MRVPVSSYSA-N 209.293 2.182 0 40 BEAB O=C(C[C@H]1C=CCC1)NCCc1ccccn1 40465337 PAYUCKKNRZWOOF-LBPRGKRZSA-N 230.311 2.097 0 40 BEAB C[C@H](CO)Oc1cccc(Br)c1 41256855 SPPIMKWICZRCGJ-SSDOTTSWSA-N 231.089 2.209 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H](CCCN)C1 44280119 AJTYGHSVRUDXKS-NSHDSACASA-N 242.363 2.372 0 40 BEAB Nc1cc(N2CCCC2)c(N)cc1Cl 45891212 AUGSSUPDIJZRFO-UHFFFAOYSA-N 211.696 2.105 0 40 BEAB CCCS(=O)(=O)N[C@@H](C)c1cccs1 48955635 NQCIZKFIIHGZLG-QMMMGPOBSA-N 233.358 2.139 0 40 BEAB COc1cc(C)c(C(N)=O)cc1C(C)C 62524919 LQTMAPVYCLCZJO-UHFFFAOYSA-N 207.273 2.226 0 40 BEAB Cc1ccc(OC[C@H](C)NC(=O)C2CC2)cc1 70266170 KJLPEGDKKOTZPU-NSHDSACASA-N 233.311 2.289 0 40 BEAB CN(C)c1ccc([C@@H]2CCCCN2C)cn1 72212611 BXPINGFIPDUQQY-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB CC(=O)N1CCC[C@H]1c1cccnc1NC1CC1 72213712 VYCBIVMAJBTTCR-ZDUSSCGKSA-N 245.326 2.339 0 40 BEAB c1cnc(N2CCCC2)c([C@@H]2CCCCN2)c1 72215994 QFMSMNKEHZDNRW-ZDUSSCGKSA-N 231.343 2.496 0 40 BEAB CCCC(=O)Nc1ccc(NC(N)=S)cc1 72229643 XFOKJZHTEWBLPT-UHFFFAOYSA-N 237.328 2.081 0 40 BEAB CC(=O)N1CCC(OCc2ccccc2)CC1 72344658 LAUBRPFIOHJUJW-UHFFFAOYSA-N 233.311 2.214 0 40 BEAB Cc1cc(C)nc([C@@H]2CCCCN2C)n1 72356854 XLMJHFOBLSRECE-NSHDSACASA-N 205.305 2.250 0 40 BEAB Cc1cc(C)c(NC(=O)c2cc(N)n[nH]2)c(C)c1 80634778 QNAIEUCFHJUEHY-UHFFFAOYSA-N 244.298 2.169 0 40 BEAB Cc1occc1C(=O)O[C@@H](C)Cn1cccn1 83793695 GOILDMRDYZZDLF-VIFPVBQESA-N 234.255 2.030 0 40 BEAB Brc1ncnn1Cc1ccccc1 84051059 SWXVFJSEBAADRF-UHFFFAOYSA-N 238.088 2.089 0 40 BEAB Cc1ccoc1-c1nc(-c2cnccn2)no1 84508539 IHCYCBMTPUODFO-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CSc1ncc(Br)c(C)n1 88314903 WCDRTOTWPGVKIU-UHFFFAOYSA-N 219.107 2.269 0 40 BEAB in-vitro Cc1cc(Cn2c(=O)sc3ccccc32)no1 89605072 YZBXBMIIHAAKSG-UHFFFAOYSA-N 246.291 2.408 0 40 BEAB CC(=O)c1c(F)cccc1NCc1ccnn1C 91428296 KRUWDSFANNJUFO-UHFFFAOYSA-N 247.273 2.374 0 40 BEAB Fc1cc(Cl)cnc1OC[C@H]1CCCO1 94053518 KBIWXSNDQMQSEY-MRVPVSSYSA-N 231.654 2.432 0 40 BEAB CC(C)c1noc([C@@H]2CCCNCC2)n1 95095437 DHRNPOAZRADQQG-SECBINFHSA-N 209.293 2.050 0 40 BEAB C[C@@H](COc1cccc(F)c1)Nc1ncccn1 95394314 KVVDSGCYAAEQLO-JTQLQIEISA-N 247.273 2.495 0 40 BEAB COCc1cnc2n1CCN(C1CCCC1)[C@H]2C 96109597 GFHLIUZXOCVJSK-NSHDSACASA-N 249.358 2.349 0 40 BEAB COC(=O)[C@@H](NCc1occc1C)C(C)(C)C 97162284 MXRKSJSMPOHDGN-LLVKDONJSA-N 239.315 2.265 0 40 BEAB CCn1cnnc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C 97237426 QDSVUTKYFJQKOM-GRYCIOLGSA-N 236.363 2.212 0 40 BEAB CCc1cc(N[C@@H]2CCCSC2)n(C)n1 97370886 YSANUSZHYSHJIV-SNVBAGLBSA-N 225.361 2.290 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCOC2(CCCC2)C1 98020497 CZPAKIPLEAFPHY-UHFFFAOYSA-N 248.326 2.108 0 40 BEAB c1cncc(CN2CCO[C@@H]3CCCC[C@H]32)c1 98177157 FROCHSJPEKNJHY-ZIAGYGMSSA-N 232.327 2.225 0 40 BEAB N[C@@H]1CCCc2nc(Br)sc21 216753145 WDGISCUQHJOYLP-SCSAIBSYSA-N 233.134 2.242 0 40 BEAB COc1ncc(NC(=O)c2ccccc2C)cn1 224279437 FIESGHSYQUREKL-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1c[nH]c([C@H]2CN(C3CCCCC3)CCO2)n1 257255379 KHFGQXLMXJXDQN-CYBMUJFWSA-N 249.358 2.424 0 40 BEAB CCOC(=O)c1ccc(C(=O)C2CC2)o1 261119333 DBUNFIAWDOTOQU-UHFFFAOYSA-N 208.213 2.049 0 40 BEAB CC(C)n1ccc(COCC(F)F)n1 408716163 JNGVKDMJOQVZOP-UHFFFAOYSA-N 204.220 2.246 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@]12CCCN2 953095570 HIGGOCDLORTFFA-GWCFXTLKSA-N 240.347 2.186 0 40 BEAB COCOc1c(F)cc(C(=O)O)cc1Cl 1083800009 PVCWAKZJDOUVML-UHFFFAOYSA-N 234.610 2.160 0 40 BEAB CS(=O)(=O)Nc1cccc(Cl)c1Cl 29500 VVQONXNUJSPBSQ-UHFFFAOYSA-N 240.111 2.365 0 40 BEAB O=C1N[C@H](c2ccco2)Nc2ccccc21 151328 QCRTXSVKRLCOBJ-LLVKDONJSA-N 214.224 2.134 0 40 BEAB biogenic,in-vitro Cc1cc(C)nc(N2CCC[C@H](C)C2)n1 856601 FSURPMUKVDFEME-VIFPVBQESA-N 205.305 2.330 0 40 BEAB CCOC(=O)N1CCN(c2ccc(C)cc2)CC1 1556653 ZOMLHPYYRATQSG-UHFFFAOYSA-N 248.326 2.274 0 40 BEAB O=C(O)C1(c2cccc(O)c2)CCCC1 1666048 RVAUIFIMYRVUKR-UHFFFAOYSA-N 206.241 2.289 0 40 BEAB N[C@H](CC(=O)O)c1c(Cl)cccc1Cl 2586110 FJJTUPBXHKDPTC-SSDOTTSWSA-N 234.082 2.468 0 40 BEAB CN(C)CC(=O)Nc1cccc2ccccc12 3160193 KKZQTOIGLOCJJN-UHFFFAOYSA-N 228.295 2.340 0 40 BEAB CC1=C[C@@H](C)[C@]2(CO)CO[C@H](C)[C@H]1[C@@H]2C 4026774 XECHVXPHGHIOKX-MLGHIDQZSA-N 210.317 2.232 0 40 BEAB CCCNC(=O)N(C)Cc1ccccc1 4037748 IITDCCPHOJECSZ-UHFFFAOYSA-N 206.289 2.238 0 40 BEAB CCN1C(=S)N2CCCN2[C@H]1c1ccccc1 4723845 JQHRJTKBCLYILQ-LBPRGKRZSA-N 247.367 2.228 0 40 BEAB CC(C)OC(=O)[C@@H](C)OC(=O)C1CCCCC1 5456323 UBNXEHYVKIQTRD-SNVBAGLBSA-N 242.315 2.450 0 40 BEAB COc1ccc(C[C@H]2CCCN2)cc1C 11630858 GJSBITPPEXYQRV-GFCCVEGCSA-N 205.301 2.298 0 40 BEAB Cn1[nH]c(=S)s/c1=N\Cc1ccccc1 12416503 OEFRFEJBTZCUGH-LUAWRHEFSA-N 237.353 2.245 0 40 BEAB CCONC(=O)c1csc(-c2ccccc2)n1 12782584 CMCKHKMGEWQDNR-UHFFFAOYSA-N 248.307 2.491 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 12977074 JXAGVEKCVKBHDZ-CABZTGNLSA-N 237.274 2.182 0 40 BEAB Cn1ccc(NC(=O)c2ccc3c(c2)CCC3)n1 14899609 KFFOOSYIBFLOKH-UHFFFAOYSA-N 241.294 2.161 0 40 BEAB CC[C@H]1CNCCN1C(=O)OCc1ccccc1 15022046 VIUQBJBRYSNMKS-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 16349087 LDVYEDUJMSLZLB-OLZOCXBDSA-N 233.311 2.028 0 40 BEAB Cc1c(C(=O)N[C@@H](C)c2cccs2)cnn1C 19553407 VXUDKAFKYOVXHZ-QMMMGPOBSA-N 249.339 2.281 0 40 BEAB C[C@H](NCc1cnn(C)c1)c1ccccc1 20074909 IEHVEXJDCHERQV-NSHDSACASA-N 215.300 2.271 0 40 BEAB CCC[C@H](C(=O)OC)N1CCC(C)CC1 22538670 CMYLLXIHNUZJTE-LLVKDONJSA-N 213.321 2.060 0 40 BEAB CCn1nccc1CNC(=O)c1cc(C)oc1C 28219487 NVFQZBQVKICYRN-UHFFFAOYSA-N 247.298 2.043 0 40 BEAB COc1ncccc1CNC(=O)C[C@@H]1C=CCC1 30306354 FWVKAKSBJJXPNV-LLVKDONJSA-N 246.310 2.063 0 40 BEAB Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cn1 32787762 IDDFUWPPEVJXIQ-ZWNOBZJWSA-N 247.342 2.436 0 40 BEAB O=C(Nc1cn[nH]c1)c1ccc(F)cc1Cl 35237636 HWKJTIFEBKZIRG-UHFFFAOYSA-N 239.637 2.455 0 40 BEAB CC(=O)c1ccccc1O[C@@H]1CCCNC1 42775747 STBBPRHHLJENMN-LLVKDONJSA-N 219.284 2.020 0 40 BEAB CS[C@H](C)C(=O)NC(=O)Nc1ccccc1 47895776 DZPKIGKPAISSRY-MRVPVSSYSA-N 238.312 2.086 0 40 BEAB CCC(C)(C)NCCC(=O)Nc1cc(C)on1 48263287 QYLFMZWCOMRQLL-UHFFFAOYSA-N 239.319 2.090 0 40 BEAB Cc1cc(C)nc(N2C[C@@H](C)OC(C)(C)C2)n1 49177163 AEGJGYAQPZFQSB-LLVKDONJSA-N 235.331 2.097 0 40 BEAB CCOc1cccc(CNCCCN(C)C)c1 57362370 HVXSNRQTYCPWDB-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB CCO[C@@H](CN)c1c(F)cccc1F 62711923 CDWMFUZPBOWILT-VIFPVBQESA-N 201.216 2.001 0 40 BEAB CNc1nc(C2=Cc3ccccc3OC2)no1 62716599 ZVVMXDWHNDNLDJ-UHFFFAOYSA-N 229.239 2.044 0 40 BEAB CCC(C)(C)NC(=O)c1cnc(C)s1 63501985 ALCBPRNTWXQKRU-UHFFFAOYSA-N 212.318 2.370 0 40 BEAB COCCCN(C)Cc1cccc(F)c1F 66379295 MVSFYQWPSCREET-UHFFFAOYSA-N 229.270 2.433 0 40 BEAB C[C@H](CN1CCNC[C@H]1C)c1ccccc1 71978858 PFCGFSCWLYDURJ-CHWSQXEVSA-N 218.344 2.084 0 40 BEAB O=C(O)/C=C/c1ccnc2c(F)cccc12 72206436 UFXVAFWHOIIVHW-SNAWJCMRSA-N 217.199 2.472 0 40 BEAB CCNc1ccc([C@@H]2CCCCN2C=O)cn1 72213106 LLUKGDBQVAOIPJ-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CO[C@H](C)c1noc(-c2scnc2C)n1 75093599 XYKMVQOMEFENBQ-ZCFIWIBFSA-N 225.273 2.209 0 40 BEAB CCCc1ccc([C@H](N)CC(=O)O)cc1 75450257 JPRNUAIHZPMLDS-LLVKDONJSA-N 207.273 2.114 0 40 BEAB Cc1cc(=O)c2c(cnn2-c2ccccc2)[nH]1 80441800 IZUONCPUSRRPFH-UHFFFAOYSA-N 225.251 2.022 0 40 BEAB in-vitro Cc1cn2cccc(Br)c2n1 84391704 JJTBVBQXNUXOMN-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB in-vitro C1CC(CN2CCCC[C@@H]2C2OCCO2)C1 89819027 PJGOBAGUOCUJKP-GFCCVEGCSA-N 225.332 2.014 0 40 BEAB O=C(NCC[C@H](O)c1ccoc1)[C@@H]1CC=CCC1 90613063 ZAQSDYXSFSRWBD-YPMHNXCESA-N 249.310 2.176 0 40 BEAB Cc1ccc([C@H]2Cn3ncc(C(=O)O)c3N2)cc1 96530316 WEACSYILEYQDNS-LLVKDONJSA-N 243.266 2.057 0 40 BEAB CCc1ccc(CN[C@H](C)CCn2cncn2)o1 97015228 LDIFBCXPCLWOJR-LLVKDONJSA-N 248.330 2.002 0 40 BEAB Cc1cccc(NC(=O)NC2(C)CCOCC2)n1 97142718 PSOWDRGMXFWNBC-UHFFFAOYSA-N 249.314 2.081 0 40 BEAB COc1cccc(CSc2ncnn2C)c1 97375872 KSVBHAFJGQFZTI-UHFFFAOYSA-N 235.312 2.116 0 40 BEAB C1C[C@@H]2CN(c3nc(C4CC4)no3)C[C@@H]2C1 98019115 QXNIGHYTTLBUKF-AOOOYVTPSA-N 219.288 2.183 0 40 BEAB Nc1ccc(C2(C(F)(F)F)N=N2)cc1 145393998 KBYVARJFNZZBBI-UHFFFAOYSA-N 201.151 2.450 0 40 BEAB C[C@H](CN[C@@H]1C=C[C@H](CO)C1)c1ccccc1 194567659 OZHNIGYZHVFMSF-VNHYZAJKSA-N 231.339 2.317 0 40 BEAB CN1C[C@@H](N)[C@@H](c2ccc(Cl)c(Cl)c2)C1 225606694 UIWXGHGHPNUHNF-LDYMZIIASA-N 245.153 2.350 0 40 BEAB FC(F)n1ccc(NCc2ccco2)n1 256052619 OBOQQQQABNZIBD-UHFFFAOYSA-N 213.187 2.483 0 40 BEAB c1ccc(-c2ccc(C3CNC3)cc2)nc1 380477518 OUPZUNDJTXOPGO-UHFFFAOYSA-N 210.280 2.435 0 40 BEAB CCCn1ccc(COCC(F)F)n1 408715416 BEEYWWBKLZXNSY-UHFFFAOYSA-N 204.220 2.075 0 40 BEAB CCn1nc(C)c(CNC(=O)[C@H]2CC2(C)C)c1C 532797349 BPOCKKXDBIUSHR-GFCCVEGCSA-N 249.358 2.182 0 40 BEAB COc1cnc2c(C)cccc2c1C(=O)O 685936817 AUXSYLXTDDWQCV-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB Clc1cncc(OC[C@@H]2CCOC2)c1 1852412527 GRUJNODETUUMLY-MRVPVSSYSA-N 213.664 2.150 0 40 BEAB COc1ccc(Cl)cc1-c1ncn(C)n1 1857794768 SBNDCJNZRYMXGA-UHFFFAOYSA-N 223.663 2.144 0 40 BEAB O=C1N[C@@H](c2ccco2)Nc2ccccc21 151327 QCRTXSVKRLCOBJ-NSHDSACASA-N 214.224 2.134 0 40 BEAB biogenic,in-vitro O=C1c2ccccc2[C@H](O)N1Cc1ccccc1 251861 XEFXQIBENKOFCP-AWEZNQCLSA-N 239.274 2.334 0 40 BEAB COc1cccc(C(=O)Nc2nccs2)c1 311599 BOKRHEAPPQCNSQ-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB COc1cccc(C(=O)NC2CCCC2)c1OC 496434 UZRDJGMQKGPADV-UHFFFAOYSA-N 249.310 2.376 0 40 BEAB CC(C)CNS(=O)(=O)c1ccc(Cl)cc1 577342 NWZKMJXYDJFEBM-UHFFFAOYSA-N 247.747 2.274 0 40 BEAB CCOC(=O)[C@H](CCN(C)C)c1ccccc1 1577534 FHHDBEYDICPUQH-CYBMUJFWSA-N 235.327 2.285 0 40 BEAB Cc1cc(NN)c2ccc(Cl)cc2n1 2564399 OJXSAMCCXSURIW-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB in-vitro CCCC(=O)Nc1cccc(C(=O)OC)c1 3103942 BQJRQWXGHXJDHF-UHFFFAOYSA-N 221.256 2.212 0 40 BEAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)C[C@@H]1O 3162394 LDTHAFXMNUJREZ-BZPMIXESSA-N 219.328 2.278 0 40 BEAB COc1ccc2cc([C@H](O)[C@@H](C)O)ccc2c1 3844039 CWZNIRHUMZESFD-YMTOWFKASA-N 232.279 2.263 0 40 BEAB biogenic COc1c(C)c(C)c(OC)c(C=O)c1C 3847644 OZPXKDPPORMRFL-UHFFFAOYSA-N 208.257 2.442 0 40 BEAB biogenic Cc1ccc2nc(SCCC(=O)O)[nH]c2c1 4386203 HROBEYNHINXGGT-UHFFFAOYSA-N 236.296 2.438 0 40 BEAB CCOC(=O)Nc1cccc(N2CCCC2=O)c1 5440635 REWYJOVCCMQOJW-UHFFFAOYSA-N 248.282 2.382 0 40 BEAB CCCC[C@H](CC)C(=O)NC[C@@H]1CCCO1 5467379 PVEUPUAPZWVDHP-RYUDHWBXSA-N 227.348 2.498 0 40 BEAB CCCCCC[C@@H](N(C)C)P(=O)(O)O 5524175 QETGHKZJETXZKF-VIFPVBQESA-N 223.253 2.022 0 40 BEAB CSc1nc2ccc(Cl)cc2c(=O)n1C 5943339 DAMIMMZCNRKRDG-UHFFFAOYSA-N 240.715 2.309 0 40 BEAB O=C(O)c1ccc(CNc2cccc(O)c2)o1 8702204 PJADCMRKMCBWNH-UHFFFAOYSA-N 233.223 2.296 0 40 BEAB Cc1ccccc1Nc1ncc(C=O)cn1 8702900 CPCYALFQTJEVPN-UHFFFAOYSA-N 213.240 2.341 0 40 BEAB Cc1nn(C)c2nc(C(C)(C)C)cc(C(=O)O)c12 11567273 UMAHCAFLDXIFIY-UHFFFAOYSA-N 247.298 2.272 0 40 BEAB in-vitro CCc1cc2ccc(OC)cc2nc1NN 11634041 NZPDNPZDGAGUOS-UHFFFAOYSA-N 217.272 2.091 0 40 BEAB CC(C)c1c(C(=O)O)nnn1-c1ccccc1F 11888048 CYQVNHMRTVPBQM-UHFFFAOYSA-N 249.245 2.228 0 40 BEAB COCCNC(=O)c1cc2ccccc2s1 17321507 PRPCBRFFVWSFHI-UHFFFAOYSA-N 235.308 2.278 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2cccc(N)c2)C1 20155037 MRPMDDJLSOHFFY-TXEJJXNPSA-N 246.354 2.316 0 40 BEAB CCCOC(=O)c1ccc(Cl)cc1N 20156077 BCRRSJBSDJKVGP-UHFFFAOYSA-N 213.664 2.489 0 40 BEAB O=C(O)CCc1c[nH]c2ccc(F)cc12 20269212 VWGFABPQHOAUQY-UHFFFAOYSA-N 207.204 2.324 0 40 BEAB in-vitro COc1ccc(Cl)cc1NCCC(=O)O 20376559 CAWWTOFVLUQGQX-UHFFFAOYSA-N 229.663 2.235 0 40 BEAB in-vitro c1ccc(C2(c3ccccc3)CNCCN2)cc1 26898320 TXFFCTMZTVXROF-UHFFFAOYSA-N 238.334 2.123 0 40 BEAB Cn1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cn1 32819931 WKULTAVBWOBWGL-AAEUAGOBSA-N 247.342 2.215 0 40 BEAB CN(C)C(=O)Cc1cccc(Br)c1 34354366 YASBPJQDRUGXLX-UHFFFAOYSA-N 242.116 2.080 0 40 BEAB Clc1ccccc1CO[C@@H]1CCNC1 36142133 ZFWZMEHITMPGLE-SNVBAGLBSA-N 211.692 2.219 0 40 BEAB N[C@@H]1C[C@@H]1c1ccccc1Br 37381676 AMHNTDLMRMXDEC-VXNVDRBHSA-N 212.090 2.264 0 40 BEAB CSCC[C@@H](NCc1cccs1)C(=O)O 37966687 WRFOEJLGMPNNMX-SECBINFHSA-N 245.369 2.044 0 40 BEAB COc1cccc([C@@H](O)C(F)(F)F)c1OC 43367915 CIBJLXFUDOZNOB-SECBINFHSA-N 236.189 2.300 0 40 BEAB COC(=O)c1c(F)cc(Cl)cc1F 44200124 YAKDQVXTYIIAKU-UHFFFAOYSA-N 206.575 2.405 0 40 BEAB COC(=O)c1cc(Br)cc(F)c1O 44200194 BAJVQQPSAKOLEC-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB CCc1nc(C)c(C(=O)NC(C)C)s1 50535261 XVBBMBPNKWYHFW-UHFFFAOYSA-N 212.318 2.152 0 40 BEAB CN(C)CC(C)(C)CNC(=N)Nc1ccccc1 52046761 ZRQKWXGVIBWXES-UHFFFAOYSA-N 248.374 2.211 0 40 BEAB CN(C)C(=O)CCSc1ccccc1F 52931395 LOKNQBMTQMFJMY-UHFFFAOYSA-N 227.304 2.396 0 40 BEAB Fc1ccc(CN2CCCN(C3CC3)CC2)cc1 61040703 SQEFAEZTGBNQBS-UHFFFAOYSA-N 248.345 2.496 0 40 BEAB CCc1noc2nc(C3CC3)cc(C(=O)O)c12 62710640 YICXBTCCCWIDJW-UHFFFAOYSA-N 232.239 2.361 0 40 BEAB CNC(=O)N1CCC(c2ccc(OC)cc2)CC1 64554095 GQTVMAZASILCPE-UHFFFAOYSA-N 248.326 2.214 0 40 BEAB C[C@@H]1CN(C[C@@H]2CCCCO2)CC(C)(C)O1 68477998 HUCJBAAPTAWMBT-NEPJUHHUSA-N 227.348 2.055 0 40 BEAB C/C=C/C=C/C(=O)N(CCOC)Cc1ccco1 69463074 WXUUSQCFAGDNKA-SALQQRKASA-N 249.310 2.387 0 40 BEAB CCc1nc(CCNc2ncccn2)sc1C 69530223 NKNKDCVTTZUACL-UHFFFAOYSA-N 248.355 2.459 0 40 BEAB Fc1ccc([C@@H]2CNCCO2)c(Cl)c1 70602825 AOJXJNVTVOJVAB-JTQLQIEISA-N 215.655 2.140 0 40 BEAB in-vitro O=Cc1c(-c2ccccc2)nn2cccnc12 71470703 QSHZOLJYYBWAAO-UHFFFAOYSA-N 223.235 2.209 0 40 BEAB CC(C)(C)C(=O)NCC[C@H](O)c1cccs1 77113093 CYJFSXBCWJRYAK-VIFPVBQESA-N 241.356 2.334 0 40 BEAB O[C@@H]1CCN(c2cc3ccccc3c(Cl)n2)C1 78774563 HXCAWCWXTFIAAL-SNVBAGLBSA-N 248.713 2.459 0 40 BEAB Cc1nsc(N2CC[C@@H](C)C[C@@H]2C)n1 81003607 GQAQDOWIHABMJE-SFYZADRCSA-N 211.334 2.471 0 40 BEAB Clc1ccc(OC[C@@H]2CCCO2)nc1 85316381 ZNSPWNBJJDTWFX-VIFPVBQESA-N 213.664 2.293 0 40 BEAB O=C(NCC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 89794479 QIEGNWXQQIJIHU-SDDRHHMPSA-N 249.310 2.068 0 40 BEAB O=C1OCCN1CCCSCc1ccco1 96416310 GKUPAPFEPATWMC-UHFFFAOYSA-N 241.312 2.355 0 40 BEAB C[C@@H](CC(N)=O)N[C@H]1CC[C@@H](C)c2ccccc21 96486251 IBTZBNVEJUCUQT-SUNKGSAMSA-N 246.354 2.479 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@]1(O)C[C@@H]2CC[C@@H]1C2 101154098 HWEQFXDONYYPNJ-OPQSFPLASA-N 246.306 2.406 0 40 BEAB CC(=O)OC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210400 ONOBKWFGSCHVER-OPQQBVKSSA-N 224.300 2.191 0 40 BEAB OCc1cnoc1-c1cccc(Cl)c1 139326962 FQPNKPHMXVFVEB-UHFFFAOYSA-N 209.632 2.487 0 40 BEAB Cc1nc(SCCCF)nc(O)c1C 195551574 HPQJEFMBRWSNEI-UHFFFAOYSA-N 216.281 2.251 0 40 BEAB c1ccc(N2CCN[C@H]3CCC[C@H]32)cc1 218843182 IWLZDWNEKXPOPY-QWHCGFSZSA-N 202.301 2.017 0 40 BEAB CCn1c(CNC)ccc1Cc1ccco1 226021482 IWPIHAGNEYROMG-UHFFFAOYSA-N 218.300 2.411 0 40 BEAB COc1cc2c(cc1Br)CC[C@@H]2N 238397634 PREAMTQTMHPVCF-VIFPVBQESA-N 242.116 2.404 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2CN)O1 242495140 FWJZILYJODZJNY-KBDSZGMXSA-N 237.265 2.327 0 40 BEAB Cc1ccc2cc(CCCN)cnc2c1 256054911 YHYRISLMTMXIML-UHFFFAOYSA-N 200.285 2.435 0 40 BEAB Cc1ccc(OC[C@@H]2CCCCO2)nc1 525820619 PGRMYEJSUQHLGW-NSHDSACASA-N 207.273 2.338 0 40 BEAB COC(=O)N1CC[C@@H](c2ccsc2)C1 824155840 BRRMGUVOPGFSOR-MRVPVSSYSA-N 211.286 2.304 0 40 BEAB COC(=O)c1ccccc1-c1c(C)n[nH]c1C 1240124794 MCHNGAHNEPSAIY-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB Cc1nc(C)c(CO[C@H]2CCOC2)s1 1888847491 KCLIKNXVOGULPW-VIFPVBQESA-N 213.302 2.065 0 40 BEAB Cc1cc(N2CCC[C@H](CF)C2)n2nccc2n1 1888853570 GKSVLUVPDVGHQD-LLVKDONJSA-N 248.305 2.224 0 40 BEAB CC1=NC(=Cc2ccc(C)cc2)C(=O)O1 2039087220 DRSAXSPSSHVKSE-UHFFFAOYSA-N 201.225 2.311 0 40 BEAB Clc1ccc(CNn2cnnc2)c(Cl)c1 582171 XFHSBTXBXLFGSQ-UHFFFAOYSA-N 243.097 2.329 0 40 BEAB CC(=O)N1C(=O)c2cc3ccccc3cc21 1856484 FQSGHCPFYLVEQZ-UHFFFAOYSA-N 211.220 2.347 0 40 BEAB COc1ccc(C(=O)c2cccnc2)cc1 2014954 JVCNCXKAEBIVBO-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB COc1ccc(CNCc2cnn(C)c2C)cc1 2536058 SKZJUNHRAWUZKK-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB CC(=O)Nc1ccccc1N1CCCC1 2828612 LWVCLGSSVJAKAS-UHFFFAOYSA-N 204.273 2.245 0 40 BEAB COc1ccc2c(c1)CC[C@@H](C(=O)O)[C@H]2C 3844070 AJWYLNNVQJYOJL-QPUJVOFHSA-N 220.268 2.446 0 40 BEAB biogenic c1cc2c(cc1-c1cnc3n1CCC3)OCCO2 4005199 KTMZVNFEULYZQH-UHFFFAOYSA-N 242.278 2.268 0 40 BEAB Cc1ccc(N[C@H]2SC(=O)N(C)C2=O)cc1 4450718 PRZVOLCSRRTEFV-VIFPVBQESA-N 236.296 2.058 0 40 BEAB CCC(=O)OCCCC[C@H]1CCCO1 5497921 VEPBZZNRLWQJDI-JTQLQIEISA-N 200.278 2.289 0 40 BEAB CCOc1cc2c(cc1C(=O)O)O[C@H](C)C2 6086118 ODSXOISFTLLYEQ-SSDOTTSWSA-N 222.240 2.107 0 40 BEAB CCc1ccc(C(=O)NCCCOC)cc1 8383031 FNANRDPFFFFYQQ-UHFFFAOYSA-N 221.300 2.015 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)Cn1ccnc1 10809395 RLVYQRSXNFESOO-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB Cc1ccc(NC(=O)NCC2(C)COC2)cc1 13331726 JNMMXJWZVYMBGM-UHFFFAOYSA-N 234.299 2.153 0 40 BEAB CC(C)CCN1C(=O)c2ccccc2[C@H]1O 13898320 SFVPAAYZTUCGDI-GFCCVEGCSA-N 219.284 2.179 0 40 BEAB Cc1cc(O)nc(SC(=O)C(C)(C)C)n1 16283663 SANAVJLELRMVTF-UHFFFAOYSA-N 226.301 2.155 0 40 BEAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCCC1 16764103 WLJMDSMSZOEVNJ-LLVKDONJSA-N 223.247 2.047 0 40 BEAB CC(=O)Oc1ccc(OC(C)=O)c2c1CCCC2 16943350 FCRVQYLSYQGAEU-UHFFFAOYSA-N 248.278 2.416 0 40 BEAB Cc1ccc([C@H](CN)N2CCC(C)CC2)o1 19771720 WFSUKYMRSHULEI-LBPRGKRZSA-N 222.332 2.320 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1C 22841318 JTVLQZYLWRVNIH-VIFPVBQESA-N 245.319 2.211 0 40 BEAB c1ccc(-c2nnc(N3CCOCC3)s2)cc1 28225498 GQZLVUVTUBIXQK-UHFFFAOYSA-N 247.323 2.042 0 40 BEAB Cc1nc(/C=C/C(=O)Nc2ccncc2)cs1 32726286 HAMRIMZURSJBQL-NSCUHMNNSA-N 245.307 2.498 0 40 BEAB CCONC(=O)c1ccc(Cl)cc1F 32848362 LZZUDLINQAOSGI-UHFFFAOYSA-N 217.627 2.160 0 40 BEAB Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)on1 32850829 ZAXIFDPDMALYKB-GFCCVEGCSA-N 242.278 2.400 0 40 BEAB CCOC(=O)c1ccc(CN2CCCC2)o1 34062346 FWCRTZXYGXEURQ-UHFFFAOYSA-N 223.272 2.052 0 40 BEAB CNC(=O)CCc1ccccc1Br 34218432 IZDICSIBCSADLW-UHFFFAOYSA-N 242.116 2.128 0 40 BEAB CC[C@H]1CCCCN1c1ccc(CN)cn1 37082692 RBLHEKJKXLYENT-LBPRGKRZSA-N 219.332 2.309 0 40 BEAB CC[C@@H](NC[C@@H]1CCCN1CC)C(C)C 37213834 BCZRSVBWTKKRAV-QWHCGFSZSA-N 212.381 2.495 0 40 BEAB O[C@H](Cc1ccc(Cl)cc1)[C@@H]1CCCNC1 41282877 WVLIQDBZEYQRSY-DGCLKSJQSA-N 239.746 2.243 0 40 BEAB Cc1ccccc1NC(=O)NCC1(O)CCCC1 44448534 SDCQPQBPLRBNGW-UHFFFAOYSA-N 248.326 2.422 0 40 BEAB CCCc1noc([C@H](C)N2CCSCC2)n1 44950575 VZVHHANHGMJLGZ-VIFPVBQESA-N 241.360 2.132 0 40 BEAB Sc1nnc2nc(-c3ccccc3)ccn12 49474296 NVEFJLTUDTZPQT-UHFFFAOYSA-N 228.280 2.080 0 40 BEAB Ic1nc2ccccc2[nH]1 50861103 ZROZRIKRPGMZBK-UHFFFAOYSA-N 244.035 2.168 0 40 BEAB in-vitro CNC[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 54588465 GBFQCYNTWBMCGP-DGCLKSJQSA-N 204.317 2.076 0 40 BEAB CC[C@@H](C)C(=O)NC[C@H](c1ccco1)N(C)C 55276407 UESRQGCIGBGURF-GHMZBOCLSA-N 238.331 2.045 0 40 BEAB Cc1noc(C)c1-c1cccc(C(=O)O)n1 65347141 RUFCTLHNWVTBRI-UHFFFAOYSA-N 218.212 2.052 0 40 BEAB C[C@@H](Cn1cc(N)cn1)c1ccccc1 67799365 DOZGYBDZFYVQKH-JTQLQIEISA-N 201.273 2.269 0 40 BEAB CCCCC[C@H](C)NC(=O)[C@@H]1CCOC1 69314091 SRRBAGXXJFANTJ-WDEREUQCSA-N 213.321 2.108 0 40 BEAB CC(=O)c1cccc(NC(=O)c2[nH]ncc2C)c1 82333163 DVJXUFHLGNXILW-UHFFFAOYSA-N 243.266 2.173 0 40 BEAB Cc1ccc2c(CC(=O)O)cn(C)c2c1 82592524 PTNTZWVJEUBAFI-UHFFFAOYSA-N 203.241 2.114 0 40 BEAB O=C(O)C1CC(Cc2cccc(F)c2)C1 83986977 DOSFIRHSGICRHD-UHFFFAOYSA-N 208.232 2.479 0 40 BEAB COC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2 84154076 PWXLOONQXYGPGC-UHFFFAOYSA-N 234.251 2.217 0 40 BEAB biogenic,in-vitro CCO[C@H](C)c1nccn1Cc1cc(C)on1 89521636 NOWDPBYSTBBUFJ-SNVBAGLBSA-N 235.287 2.325 0 40 BEAB CC(C)CCn1cc([C@@H](N)C2CC2)cn1 95093958 AHQVJPVUWDWGQH-LBPRGKRZSA-N 207.321 2.339 0 40 BEAB CC[C@](CNC(=O)C1CC1)(OC)c1ccccc1 96123677 MGVPUMZNSIERGT-OAHLLOKOSA-N 247.338 2.465 0 40 BEAB CC1(C)CN(C(=O)C2[C@@H]3CCC[C@@H]23)CCS1 102337156 CTFCKNYNLONWAS-NXEZZACHSA-N 239.384 2.387 0 40 BEAB C[C@H]1[C@@H]2CCN(C)[C@@H]1Cc1ccc(O)cc12 104270599 SVPZRQDNNLAJMW-DUFXMDAXSA-N 217.312 2.372 0 40 BEAB COc1cccc(CN2[C@H]3CC[C@H]2CC(=O)C3)c1 105965324 YMMZZQRDUQBPFM-STQMWFEESA-N 245.322 2.391 0 40 BEAB Cn1cc(CN2CCC(C(F)(F)F)CC2)cn1 174184317 WAJLZDZJKBIVCV-UHFFFAOYSA-N 247.264 2.194 0 40 BEAB Cc1nc(C(=O)N2CCOc3ccccc32)co1 188168309 AHMYITPMMUFUJJ-UHFFFAOYSA-N 244.250 2.022 0 40 BEAB COc1cccc2c1c(C=O)cn2C(C)=O 199735822 MPPGBZNGCNXCPB-UHFFFAOYSA-N 217.224 2.123 0 40 BEAB NCCCNc1ccnc2ccc(F)cc12 212274642 KMFUVNLSZGIDGC-UHFFFAOYSA-N 219.263 2.135 0 40 BEAB CNCc1cccn1-c1ccccc1OC 223687830 VUYNUSBTXNINBA-UHFFFAOYSA-N 216.284 2.205 0 40 BEAB C[C@H](O[C@H]1CCNC1)c1cnccc1Cl 252497801 QQODXIPCGBFVFU-IUCAKERBSA-N 226.707 2.175 0 40 BEAB CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)CC1 252523231 CDBVQSYKHWIQOT-FDYHWXHSSA-N 239.359 2.496 0 40 BEAB Clc1ccc2c(c1)CC[C@@]21COCCN1 306145791 QHWLSOZPXFURBL-GFCCVEGCSA-N 223.703 2.101 0 40 BEAB CC(C)(C)OC(=O)C1(Br)CC1 725326759 SRZMQFSILZOXIY-UHFFFAOYSA-N 221.094 2.256 0 40 BEAB CN(N)c1ncc(Cl)cc1C(F)(F)F 165165 PSTGWMCTJXPJSN-UHFFFAOYSA-N 225.601 2.064 0 40 BEAB Cc1ccccc1C(=O)Nc1nncs1 892666 WMKRJLRISMFCDM-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB O=c1[nH]nc(Cc2ccccc2)n1C1CCCC1 1645988 ARXNYDVGIDUSFJ-UHFFFAOYSA-N 243.310 2.277 0 40 BEAB COc1nc(Cl)cc2nc(Cl)cn12 1711737 WIVSAFJNKRUGBY-UHFFFAOYSA-N 218.043 2.045 0 40 BEAB CC(=O)Nc1cc(C)cc(NC(C)=O)c1C 1720119 ROWNKWIKPFLGGD-UHFFFAOYSA-N 220.272 2.220 0 40 BEAB Cc1cc(F)ccc1C(=O)CCC(=O)O 2378692 AVVSAUIZPPNXRX-UHFFFAOYSA-N 210.204 2.182 0 40 BEAB CCn1cc(CNCCc2ccccc2)cn1 2536449 BMFROFCYMPULLM-UHFFFAOYSA-N 229.327 2.235 0 40 BEAB COC(C)(C)CCOc1ccccc1N 6678004 VPXRHDICDFEALD-UHFFFAOYSA-N 209.289 2.463 0 40 BEAB C[C@H]1CN(c2c(N)cccc2Cl)C[C@H](C)N1 8702460 QCAINOAXOOQETG-IUCAKERBSA-N 239.750 2.109 0 40 BEAB Cc1ccc(C)c(-c2n[nH]cc2C(=O)O)c1 9189808 HQUARGHVYWZFCA-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB CC1=C(C)[C@H](O)N(CCC2=CCCCC2)C1=O 9667612 RHBNJMMVAUEMKR-ZDUSSCGKSA-N 235.327 2.374 0 40 BEAB COc1ccc2c(c1)c(C[C@H](C)N)cn2C 14001397 HNBLYZHJAGOELR-VIFPVBQESA-N 218.300 2.077 0 40 BEAB COCCc1ccc(O[C@H]2CCCNC2)cc1 14631836 XNSFBTXQVKXUQT-AWEZNQCLSA-N 235.327 2.006 0 40 BEAB Cc1cc(=O)nc(NN=C2CCCC[C@@H]2C)[nH]1 17352426 ARUSYOXABALNOD-QMMMGPOBSA-N 234.303 2.056 0 40 BEAB N[C@H](CC(=O)N1CCCCC1)c1ccccc1 19485590 PUHIDTBBRRCERC-CYBMUJFWSA-N 232.327 2.089 0 40 BEAB O=C(NCCc1cccnc1)c1ccccc1F 32348078 HLMAPCQSLIOSDB-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@H](C)O)cc1OC 34702405 ASXMOCXJDQURGK-JMJZKYOTSA-N 222.284 2.188 0 40 BEAB Cc1ccccc1[C@H](C)NC(=O)CCC(=O)O 35135317 GQYGFPDYRDSRAW-JTQLQIEISA-N 235.283 2.037 0 40 BEAB CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](C)C1 35828041 FKAUWSRENDMFMI-DCAQKATOSA-N 212.337 2.472 0 40 BEAB CNCc1ccc(OCC2CC2)c(OC)c1 36765214 HNOIJIHANWVDDK-UHFFFAOYSA-N 221.300 2.203 0 40 BEAB C1CC[C@@H]2CN(C[C@@H]3CCCNC3)CC[C@@H]2C1 36810193 RSFGURGCIUVVEK-QLFBSQMISA-N 236.403 2.498 0 40 BEAB CCN(CC)[C@@](C)(C(=O)O)c1ccccc1 37360873 FXSGLBFTBCOOQW-CYBMUJFWSA-N 221.300 2.328 0 40 BEAB COc1ccc(C(F)(F)F)cc1CC(=O)O 38529586 XWXOIMXTBVKFDL-UHFFFAOYSA-N 234.173 2.341 0 40 BEAB O=C(O)/C=C\c1c(F)cc(F)cc1F 39566249 JARROIJACNTGOM-UPHRSURJSA-N 202.131 2.202 0 40 BEAB Cc1ccc(C2=Nc3nonc3NC=C2)cc1 40175411 MQZZNALLRHJICU-UHFFFAOYSA-N 226.239 2.438 0 40 BEAB CCC(=O)Nc1c(C)cc(N)cc1CC 45888177 BYPZHPCPMHKYJP-UHFFFAOYSA-N 206.289 2.488 0 40 BEAB C[C@H](NC(=O)OCC(F)(F)F)c1ccncc1 48300888 IXTOVYGLRSQHFZ-ZETCQYMHSA-N 248.204 2.431 0 40 BEAB CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(C)C 49252394 GQYFVBYSUFEEMQ-SNVBAGLBSA-N 246.314 2.122 0 40 BEAB CN(C)CCCNCc1cccc(Cl)c1 57362387 WKIRLSHMPKXHRF-UHFFFAOYSA-N 226.751 2.381 0 40 BEAB CNC(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 58161672 VRQUGBDTCWXJDW-VIFPVBQESA-N 244.298 2.067 0 40 BEAB Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2C)cnn1C 58290938 BWOJCSAHYVCLNS-MFKMUULPSA-N 249.358 2.379 0 40 BEAB COCCCNC(=O)c1cccc2ncccc12 58393868 DCGKOAKYAWNGCK-UHFFFAOYSA-N 244.294 2.001 0 40 BEAB CC(C)NC(=S)Nc1cccc(O)c1 59115161 JYGCSYWWFVXMDX-UHFFFAOYSA-N 210.302 2.087 0 40 BEAB CCOC(=O)c1c[nH]c2c(C)ccc(F)c2c1=O 64874830 BUXMMXWHGXPOKU-UHFFFAOYSA-N 249.241 2.152 0 40 BEAB Nc1cc(-c2ccc3c(c2)OCO3)ccn1 65374131 IIQJMXVAZRVBLC-UHFFFAOYSA-N 214.224 2.060 0 40 BEAB C[C@H](O)c1ccc([C@@H]2CCCNC2)cc1 75905350 SICFBBWCTCWIKC-GXFFZTMASA-N 205.301 2.207 0 40 BEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccnc1 78147131 INCQWLCAGQRTMV-UMNHJUIQSA-N 216.284 2.000 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCOC1 82337163 LNAGLHNDIUPFLM-DGCLKSJQSA-N 245.322 2.391 0 40 BEAB O=C(O)C1(c2ccc3scnc3c2)CC1 83010638 CSWCKBVMJBRFHU-UHFFFAOYSA-N 219.265 2.413 0 40 BEAB C[C@@H](CNc1ccccn1)CC1(C)OCCO1 84637157 PVLKLSQOSBMMBF-LLVKDONJSA-N 236.315 2.283 0 40 BEAB COC[C@@H](C)SCc1cc(OC)ccn1 95944914 NNFPHWUKGRIAAM-SECBINFHSA-N 227.329 2.358 0 40 BEAB COc1ccc(N[C@@H](C)CCn2cccn2)cn1 97162466 SBHZNVOLYOKIRZ-NSHDSACASA-N 246.314 2.177 0 40 BEAB c1ccc(CN2[C@H]3CCNC[C@H]2CC3)cc1 100058619 WJNTXJZFBOWQPF-ZIAGYGMSSA-N 216.328 2.013 0 40 BEAB in-vitro CC(=O)OCC12CO[C@@](C)(C[C@@H]1C)C[C@H]2C 100743146 XUKHTJZFVQWUKR-SLZWCIGKSA-N 226.316 2.391 0 40 BEAB CCOc1ccc(N[C@H]2CCC[C@@H]2N)cc1 218877516 ADZZSJMQSBBVFR-STQMWFEESA-N 220.316 2.377 0 40 BEAB COCc1nn(C(F)F)cc1Br 408715639 YLMCTZYEMAHXOC-UHFFFAOYSA-N 241.035 2.187 0 40 BEAB Cc1ccc(-c2oncc2CO)c(C)c1 409422912 MEJDQLPIEAXBFE-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB COC(=O)CCCC(=O)c1cccc(N(C)C)c1 575358136 DLNCKCFFYYQLOY-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB CC(C)(C)c1ccc(O[C@@H]2CCCC[C@H]2N)nn1 1775973937 RNAFAEKGGRWRFI-GHMZBOCLSA-N 249.358 2.423 0 40 BEAB C1=C(c2ccc3[nH]ncc3c2)CCOC1 2526950 HMDBUZNHQZCUAA-UHFFFAOYSA-N 200.241 2.367 0 40 BEAB CCCSc1nnnn1-c1cccc(C)c1 2618878 JPWWPMFMLNLVGI-UHFFFAOYSA-N 234.328 2.473 0 40 BEAB C[C@]12CC[C@H](CC1=O)[C@@]2(C)CSCCO 4228057 CLVRHDSFNQCSKV-ADEWGFFLSA-N 228.357 2.107 0 40 BEAB COc1ccccc1-c1cc(C(=O)O)no1 4992770 UDFIWFVAYAOMRF-UHFFFAOYSA-N 219.196 2.048 0 40 BEAB in-vitro O=C1N=C2C=CC=CN2/C1=C/c1ccccc1O 5583226 BXRQMRIWMFNRBW-PKNBQFBNSA-N 238.246 2.057 0 40 BEAB COc1cc(NC(=O)[C@H]2C[C@@H]2C)cc(OC)c1 6385969 YQRKNUWRPNIAAQ-UFBFGSQYSA-N 235.283 2.298 0 40 BEAB N[C@H](c1ccc(F)cc1)c1ccccn1 11737314 ZGFGIMCENHJDFB-GFCCVEGCSA-N 202.232 2.269 0 40 BEAB O=C(O)CCN1CCC[C@H]1c1cccc(F)c1 12398738 NACWGDDPPILITO-LBPRGKRZSA-N 237.274 2.437 0 40 BEAB CCn1ccc(=O)c2c(C(F)(F)F)nccc21 12413862 IMKLLOZIKPWOLS-UHFFFAOYSA-N 242.200 2.435 0 40 BEAB Cc1ccc(OCC2CCNCC2)cc1 14631479 OIRBFUKKCSYAKX-UHFFFAOYSA-N 205.301 2.373 0 40 BEAB in-vitro O=C(NCCOc1ccccc1)c1ccco1 16009508 HZDIQRCFZFVRLO-UHFFFAOYSA-N 231.251 2.088 0 40 BEAB CC1(C)C2=CCCC(=O)[C@]2(C)CC[C@H]1O 16953107 VPZIXECAMMBHLM-ZWNOBZJWSA-N 208.301 2.463 0 40 BEAB CN(C)CCNCc1cccc(C(F)(F)F)c1 21962795 FYGSTEFVMGKXIF-UHFFFAOYSA-N 246.276 2.357 0 40 BEAB Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1 22115094 NHLQBNSORVQYNO-UHFFFAOYSA-N 245.160 2.217 0 40 BEAB CN1CCC(c2n[nH]c3ccccc23)CC1 26896038 ANRNAWIFBBHGTG-UHFFFAOYSA-N 215.300 2.372 0 40 BEAB Nc1ccccc1-c1ccc(C(=O)O)o1 28564324 ASHCVWNDCDTTGF-UHFFFAOYSA-N 203.197 2.227 0 40 BEAB O=C(c1ccno1)N1CC[C@H](c2ccccc2)C1 38935573 DPUAWVNPAOZTRN-LBPRGKRZSA-N 242.278 2.304 0 40 BEAB CCOC(=O)c1c(N)sc(C(=O)CC)c1C 51353974 LODXFLDPLGJZJL-UHFFFAOYSA-N 241.312 2.408 0 40 BEAB C[C@@H](O)c1nc2cccc(Cl)c2n1C 62365876 WEJLYRLFDHXXEH-ZCFIWIBFSA-N 210.664 2.280 0 40 BEAB C[C@H](O)[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 62714032 PLBQRFXDNOQHNE-XXILOJSOSA-N 204.269 2.106 0 40 BEAB COC[C@@H](C)NC(=O)c1cc(C)ccc1C 69098041 OUFQJNVEOUQFLD-LLVKDONJSA-N 221.300 2.068 0 40 BEAB COc1ccc(C(=O)NCC(C)C)cc1F 70243082 PZTRUULZPWEEMM-UHFFFAOYSA-N 225.263 2.220 0 40 BEAB COc1ccc([C@H]2CCCCN2C)cn1 72211677 FWFQSNCGOZDMOU-LLVKDONJSA-N 206.289 2.247 0 40 BEAB O=C(O)c1cc2cc(Cl)c(O)cc2o1 72219755 APNWQOZHCHQBOL-UHFFFAOYSA-N 212.588 2.490 0 40 BEAB OCC1(c2cc(-c3cccs3)on2)CC1 72220641 CPOWFQVWGUDPTC-UHFFFAOYSA-N 221.281 2.427 0 40 BEAB CC1CCN(C(=N)NCc2ccccc2)CC1 75581926 AKLTZRMXQCBFGG-UHFFFAOYSA-N 231.343 2.443 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](N)C1 82048300 UQVRIGBITJSZJX-GFCCVEGCSA-N 248.326 2.437 0 40 BEAB O=C(O)[C@H]1CCC[C@H]1NCc1ccccc1 84011581 FJMJOYQGUPTRDF-NWDGAFQWSA-N 219.284 2.030 0 40 BEAB CC(C)(C)c1nc2n(c1C(=O)O)CCCC2 84014177 YQUXGVMUGPHWLG-UHFFFAOYSA-N 222.288 2.215 0 40 BEAB Cc1nc(CCCSc2cn[nH]n2)cs1 91587999 JMLTXAUZYWYSMO-UHFFFAOYSA-N 240.357 2.295 0 40 BEAB c1ncc(CN2C[C@@H]3CCC[C@H]3C2)s1 93443015 IDMHDGSVRJLNJU-UWVGGRQHSA-N 208.330 2.375 0 40 BEAB Cc1cc(C(=O)O)nn1C1CCCCC1 95218197 HPBPNENSAKBOER-UHFFFAOYSA-N 208.261 2.395 0 40 BEAB in-vitro Cc1cc(CN2CCCC[C@@H]2c2ncc[nH]2)no1 95422793 JCKQUDUKVOYQHP-GFCCVEGCSA-N 246.314 2.433 0 40 BEAB COc1ccc2oc(CN[C@H]3CCOC3)cc2c1 95978133 NUJIOZRODJPWEZ-NSHDSACASA-N 247.294 2.320 0 40 BEAB Cc1cccc2c1c([C@H]1C[C@H]1N)cn2C 96509623 SBJWMBMJRQIITF-MWLCHTKSSA-N 200.285 2.301 0 40 BEAB COc1ccc(-n2nc(C)c(C)c2O)cc1 101498783 KEQYIEQRKVKBCZ-UHFFFAOYSA-N 218.256 2.203 0 40 BEAB CC(C)CO[C@@H](Cc1ccccc1)C(=O)O 136748462 LIZGUKVINJQFEC-LBPRGKRZSA-N 222.284 2.355 0 40 BEAB O=C1NCC[C@@H]1Cc1ccc(Cl)cc1 139259638 CJWQGCUNKQPNBU-SECBINFHSA-N 209.676 2.019 0 40 BEAB CC(C)[C@H](CNC(N)=O)Cc1ccccc1 188918730 MVOFZDGZVYIDSW-LBPRGKRZSA-N 220.316 2.170 0 40 BEAB O=C1CCc2cc(S)ccc2N1CCF 218799755 MHRYYXXQKZUMCF-UHFFFAOYSA-N 225.288 2.224 0 40 BEAB COC1(C(F)(F)F)CCC(C(=O)O)CC1 220487209 KSURTBSRUMJMNR-UHFFFAOYSA-N 226.194 2.209 0 40 BEAB O=S(=O)(c1ccc(F)s1)N1CCCCC1 225385970 WRWGRPIKUFCEPR-UHFFFAOYSA-N 249.332 2.062 0 40 BEAB Cc1cnc2[nH]c([C@H]3CCCNC3)cc2c1 257342517 ZPAKTPDSHQMLBL-JTQLQIEISA-N 215.300 2.338 0 40 BEAB CC(C)(N)c1ncccc1C(F)(F)F 259415602 SLWLHWFIANCBDH-UHFFFAOYSA-N 204.195 2.294 0 40 BEAB CC1(C2(NC(=O)[C@@H]3CCSC3)CC2)CC1 334748340 IJUWMUASHNJJBZ-SECBINFHSA-N 225.357 2.188 0 40 BEAB COC(=O)c1cc(C(F)F)ccc1N(C)C 575628854 DLBOJWJZOXNIQF-UHFFFAOYSA-N 229.226 2.477 0 40 BEAB CO[C@H]1CCCN[C@H]1Cc1ccc(C)cc1 585274747 NDRLVGCVNFNXGK-KBPBESRZSA-N 219.328 2.305 0 40 BEAB c1ccc2c(O[C@H]3CCOC3)ccnc2c1 585652310 XCEZQLKMQUSJTM-JTQLQIEISA-N 215.252 2.403 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@]12CCC[C@H](O)C2 606301389 ABXMAKMUBUVZOT-GWCFXTLKSA-N 241.331 2.301 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1CC[C@H]2O 1083104374 PDQMRWNTTPSWKZ-GARJFASQSA-N 241.331 2.157 0 40 BEAB CCC(=O)NC[C@H]1C[C@H]1c1cccc2c1CCO2 8572 PTOIAAWZLUQTIO-ZWNOBZJWSA-N 245.322 2.251 0 40 BEAB O=C1NN=C(c2ccccc2)Cc2ccccc21 482110 QZAXVWASIUQYNC-UHFFFAOYSA-N 236.274 2.377 0 40 BEAB CCCC(=O)CC(=O)Nc1ccccc1 1584768 NMKOPQKZWILKQU-UHFFFAOYSA-N 205.257 2.384 0 40 BEAB OC[C@@H](Cc1ccccc1)N1CCCCC1 1698263 MKPWVSUPSWNGNB-CQSZACIVSA-N 219.328 2.076 0 40 BEAB CC(C)[C@@H](C(=O)O)N(C)Cc1ccccc1 1760775 BLRQXMHAGNJVHO-LBPRGKRZSA-N 221.300 2.228 0 40 BEAB biogenic,in-vitro c1ccc(Nc2ncnc3[nH]ncc23)cc1 2476506 UOIOGRJMBMHOJZ-UHFFFAOYSA-N 211.228 2.097 0 40 BEAB CC(=O)c1cccc(NC2=NCCC2)c1 3866609 ZNUJCALCEJXRSW-UHFFFAOYSA-N 202.257 2.493 0 40 BEAB Cc1cc2n(n1)[C@H](C(F)F)C[C@H](C)N2 4291309 GVCUYVSDJYMDMA-FSPLSTOPSA-N 201.220 2.202 0 40 BEAB CCC[C@@H](Nc1cccc(OC)c1)C(=O)O 8702791 ZWYRFHTWKJDCSC-LLVKDONJSA-N 223.272 2.360 0 40 BEAB Cn1ccc(NC(=O)/C=C/c2cccs2)n1 8749035 GLZDALGIFGEGPT-SNAWJCMRSA-N 233.296 2.134 0 40 BEAB COc1ccc(Cl)c2sc(NN)nc12 11919325 XRWIIAACHZRIKZ-UHFFFAOYSA-N 229.692 2.244 0 40 BEAB CCOC(=O)[C@H](C(C)C)n1nc(C)cc1C 12399039 HFZVYBHEIZVBKB-NSHDSACASA-N 224.304 2.260 0 40 BEAB CC(C)CNC(=S)NC1CCCC1 13470972 CRDCBHZOGAUJGC-UHFFFAOYSA-N 200.351 2.049 0 40 BEAB Cc1cccc(NC(=S)NCC(C)C)n1 13837701 FWDNOBQLDNGVDH-UHFFFAOYSA-N 223.345 2.332 0 40 BEAB O=C(c1ccco1)c1nccn1-c1ccccn1 15954065 ZISDNSYOFNKRML-UHFFFAOYSA-N 239.234 2.091 0 40 BEAB NN[C@@H](Cc1ccccc1)c1ccccc1 19488835 XUCQFCBDOKCZOM-AWEZNQCLSA-N 212.296 2.434 0 40 BEAB CC(C)c1ccccc1O[C@@H](C)C(N)=O 20040633 ZQEQYQGCYOETIH-VIFPVBQESA-N 207.273 2.063 0 40 BEAB COc1cc(C2(CN)CCC2)ccc1C 20429527 OCZQLNKDAIUPGH-UHFFFAOYSA-N 205.301 2.384 0 40 BEAB Cc1ccsc1C(=O)NCc1ccccn1 20816045 OLKFXIJPEJFHRM-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB NC(=O)c1cccnc1NC1CCCCCC1 22976912 CVFINJJNXMDJDI-UHFFFAOYSA-N 233.315 2.315 0 40 BEAB Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C)c1 32760761 JXKCBEJQWITBPW-CMPLNLGQSA-N 203.285 2.267 0 40 BEAB CC1(C)COCCN1C(=O)c1ccc(F)cc1 36101961 ZWBGOMMBTGAXBN-UHFFFAOYSA-N 237.274 2.077 0 40 BEAB CCc1cc(C(=O)N[C@H](C)COC)sc1C 40459910 ZJHZWFWZBJGRME-MRVPVSSYSA-N 241.356 2.384 0 40 BEAB CS[C@@H](C)C(=O)NCCc1ccsc1 40525097 JMIJZCAOKCIOHA-QMMMGPOBSA-N 229.370 2.158 0 40 BEAB C[C@H](N)c1nc(-c2ccncc2)cs1 41059172 NFSPCCHHEBOTGZ-ZETCQYMHSA-N 205.286 2.225 0 40 BEAB in-vitro Cc1ccccc1CN(C)CC(=O)N1CCCC1 42977530 ZKPSSJUOXMBLNJ-UHFFFAOYSA-N 246.354 2.049 0 40 BEAB c1ccc2c(c1)CCN([C@H]1CCCNCC1)C2 43214552 ACGIBMDROFXDFQ-HNNXBMFYSA-N 230.355 2.187 0 40 BEAB in-vitro CC[C@@H](C)[C@H](C)NCCN1CCCCC1 49574643 FVEOGRVZVMUETE-OLZOCXBDSA-N 212.381 2.497 0 40 BEAB O=C1CCN(Cc2ccc(F)cc2F)CC1 50884886 XVJBJRPSLASMSV-UHFFFAOYSA-N 225.238 2.130 0 40 BEAB CO[C@@H](C)C(=O)N1CCC[C@H]1C1CCCC1 56035455 VANPDXBSBXOEAL-JQWIXIFHSA-N 225.332 2.203 0 40 BEAB Clc1ncnc2nc(N3CCCC3)sc12 57352291 NDELWVBPUOVLQP-UHFFFAOYSA-N 240.719 2.340 0 40 BEAB COc1ccc([C@H](N)C2CCOCC2)cc1 61671350 QGVQOCJNKXAXSG-ZDUSSCGKSA-N 221.300 2.122 0 40 BEAB in-vitro CC(C)(C)n1[nH]c(=O)c2ccc(F)cc21 67341867 PBQAHUMFKNAKNG-UHFFFAOYSA-N 208.236 2.224 0 40 BEAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc[nH]1 67858887 VBZGPUQHIIQSRV-WCQYABFASA-N 226.279 2.301 0 40 BEAB CCNC(=O)CCN1CC[C@H](c2ccccc2)C1 69893887 GCIJMAXMTOMUIK-AWEZNQCLSA-N 246.354 2.002 0 40 BEAB CCOC(=O)N1CCC(N2CCCCC2)CC1 70263737 JDMNOIGSKBKYMX-UHFFFAOYSA-N 240.347 2.093 0 40 BEAB CCN(CC)c1ccc(C(=O)N[C@H]2C[C@@H]2C)cn1 72094591 WBZZJFMIJREPNF-JQWIXIFHSA-N 247.342 2.066 0 40 BEAB COc1ccc([C@@H]2CCCCN2C(C)=O)c(C)n1 72218110 XBJPXKAGHWTVHO-ZDUSSCGKSA-N 248.326 2.472 0 40 BEAB NC(=O)Nc1cccc(Oc2ccccn2)c1 76082165 GDDNIUVHDHSIKF-UHFFFAOYSA-N 229.239 2.365 0 40 BEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCO1 78795581 QAXXGJLIECIBIL-VOAKCMCISA-N 237.343 2.345 0 40 BEAB CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 82733977 XUGRSJLNNZNGKC-UHFFFAOYSA-N 201.229 2.035 0 40 BEAB OCc1cccn1Cc1ccc(F)cc1 85587830 ITCWBMUJWHWIID-UHFFFAOYSA-N 205.232 2.168 0 40 BEAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC1 89927771 MKYQDKMNUFRQNX-VXGBXAGGSA-N 225.332 2.204 0 40 BEAB Nc1cc2c(cc1F)O[C@H](F)C(F)(F)O2 91252493 WGPHOAZZFWXVLH-ZETCQYMHSA-N 223.125 2.068 0 40 BEAB Cc1cc(Br)c2c(c1)CNCC2 95883948 FTLXOFQFQOLFTG-UHFFFAOYSA-N 226.117 2.403 0 40 BEAB in-vitro CC[C@@H](C)Nc1ccc(N2CCN(C)CC2)nc1 97037920 LYQRRSDCVUDALL-GFCCVEGCSA-N 248.374 2.044 0 40 BEAB C[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 97097331 FOQYHWQHPGHJLH-XBFCOCLRSA-N 247.338 2.067 0 40 BEAB CC(C)OCCN1CCC(c2cn[nH]c2)CC1 97203109 NEUAAJHINGRLHO-UHFFFAOYSA-N 237.347 2.014 0 40 BEAB CC(C)(C)N[Si](NC(C)(C)C)NC(C)(C)C 198054843 LBFNBHQPKWSWMM-UHFFFAOYSA-N 244.479 2.136 0 40 BEAB CC(C)(C)OC(=O)Nc1csc(C=O)n1 225801094 KRKAMILWOHNWBO-UHFFFAOYSA-N 228.273 2.303 0 40 BEAB COC(=O)C1(c2ccc(OC)c(F)c2)CC1 259272474 OVEJOBKANBVNGX-UHFFFAOYSA-N 224.231 2.039 0 40 BEAB CCC(=O)c1ccc(C(=O)OC)cc1C 308798039 ISNIXFKPXWKCTD-UHFFFAOYSA-N 206.241 2.374 0 40 BEAB COc1ccc(-c2c[nH]nc2N(C)C)cc1 1888853857 JWOBMVAKKVXFJV-UHFFFAOYSA-N 217.272 2.151 0 40 BEAB O=C1Nc2cccnc2O[C@@H]1c1ccccc1 2362803634 SHIXJWYBITUHAU-LLVKDONJSA-N 226.235 2.154 0 40 BEAB Nc1c(Cl)ncnc1NCCc1ccccc1 1446427 WPZRECFJUHBCHG-UHFFFAOYSA-N 248.717 2.367 0 40 BEAB CC(C)(C)c1cc(C(=O)O)ccc1C(=O)O 1715575 WRWOYKPAJDIBLG-UHFFFAOYSA-N 222.240 2.381 0 40 BEAB Cc1ccc(NCc2cnn(C)c2)cc1 2536118 UAEAAOLDPQVDFP-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCO1 2625193 MPAIHQCCOOPREO-SECBINFHSA-N 248.307 2.414 0 40 BEAB Cc1nn(C)c(=O)n1-c1ccc(C(C)C)cc1 4072988 NYSGCJROFCZOLK-UHFFFAOYSA-N 231.299 2.003 0 40 BEAB COc1ncnc2c1oc1ccccc12 4907162 AIIYGBLNDOFIBC-UHFFFAOYSA-N 200.197 2.385 0 40 BEAB Cc1ccccc1NC(=O)COC(=O)C(C)C 5713278 WOMJNIWUOMOCDZ-UHFFFAOYSA-N 235.283 2.133 0 40 BEAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)O 6442669 PKMQCFXRILFKFU-SECBINFHSA-N 220.268 2.417 0 40 BEAB CC(=O)CC(=O)Nc1ccc(F)c(Cl)c1 6692487 XUWXXFCFTRKNHP-UHFFFAOYSA-N 229.638 2.397 0 40 BEAB COc1ccc(NC(=O)CC(C)C)cn1 8018632 VBNXUHADOSLHBY-UHFFFAOYSA-N 208.261 2.075 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(N)cc1OC 8703534 OTSLWBVVLBXRSQ-MRVPVSSYSA-N 222.288 2.262 0 40 BEAB O=C1NC(=O)c2ccccc2/C1=C/c1ccccc1 12410062 ZPLIHFGNPOPRRQ-UVTDQMKNSA-N 249.269 2.497 0 40 BEAB S=c1[nH]ncn1NCc1ccc(Cl)cc1 17744262 FYEOQVJYEHZYBF-UHFFFAOYSA-N 240.719 2.338 0 40 BEAB CCOc1ccc(-c2ccnc3ncnn23)cc1 22607213 HHJBTJOZXLMZSR-UHFFFAOYSA-N 240.266 2.190 0 40 BEAB Cc1cc(N(C)[C@H](C)C2CC2)nc(C)n1 32769944 GKARLKMBOMAUNQ-SECBINFHSA-N 205.305 2.328 0 40 BEAB O=C(Nc1cccc(F)c1)[C@H](O)c1ccccc1 32876666 RQIUXRAXTOAUOG-CYBMUJFWSA-N 245.253 2.498 0 40 BEAB CC(C)NC(=O)CN[C@H](c1ccccc1)C(C)C 35018347 JOBDAXIBFYSFEJ-HNNXBMFYSA-N 248.370 2.498 0 40 BEAB Cc1ccc(NC(=O)NC[C@@H]2CCCNC2)cc1 35056441 VXBTULRBWHCYSC-GFCCVEGCSA-N 247.342 2.116 0 40 BEAB in-vitro C=CS(=O)(=O)CCSc1ccccc1 35327322 LRCAIQAKJVCCBD-UHFFFAOYSA-N 228.338 2.337 0 40 BEAB OCCCCOc1ccccc1Cl 35650235 ICCHMMCBERJAFS-UHFFFAOYSA-N 200.665 2.491 0 40 BEAB Cn1cccc1C(=O)NCCc1ccc(F)cc1 40159515 QGIWTZZQZYSIDQ-UHFFFAOYSA-N 246.285 2.137 0 40 BEAB Cc1n[nH]c(Sc2c(N)cccc2Cl)n1 41062469 OZJXHJQBPVPUFC-UHFFFAOYSA-N 240.719 2.500 0 40 BEAB COc1ccc([C@H]2C[C@@H]2CC(=O)O)cc1 41214537 KBRGKJHCWDGEIX-MWLCHTKSSA-N 206.241 2.273 0 40 BEAB Cc1cc(C(=O)NC2=NCCS2)c(C)s1 48430579 ZRBFIRMCJIBMTK-UHFFFAOYSA-N 240.353 2.198 0 40 BEAB O=C(Nc1ccccc1)N[C@@H]1CCCC[C@@H]1O 52003254 AUDCZNMODKREEO-NEPJUHHUSA-N 234.299 2.112 0 40 BEAB O=C(NCc1ccco1)[C@H]1CC=CCC1 52893321 PBFFTRFVSNFOHG-JTQLQIEISA-N 205.257 2.252 0 40 BEAB CCn1nc(C)c2ncnc(N3CCCCC3)c21 57280125 PUUUSOSPGCOCNY-UHFFFAOYSA-N 245.330 2.145 0 40 BEAB C[C@](CO)(c1cccs1)N1CCCC1 70453236 AFSOIRBNVCUECP-NSHDSACASA-N 211.330 2.051 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CNCC[C@H]2C)cc1C 71412617 YTODCVWOMCMBMV-BXUZGUMPSA-N 246.354 2.031 0 40 BEAB CNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 82610632 IVDZOMNCXOFSAL-UHFFFAOYSA-N 246.295 2.021 0 40 BEAB COCC(=O)Nc1cc(C(C)=O)ccc1Cl 83843708 AOAUAPCIXGGEMP-UHFFFAOYSA-N 241.674 2.128 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCCN[C@H]2C)c1C 91496418 TVKBPWTVCDPBBV-GXTWGEPZSA-N 246.354 2.174 0 40 BEAB CCOC(=O)[C@@H]1NCCc2cc(Cl)ccc21 95080516 PWXIZZPSVKEDPJ-LLVKDONJSA-N 239.702 2.090 0 40 BEAB in-vitro C[C@@H](CCCO)NCCc1c[nH]c2ccccc12 95427028 ZTWKHLPIOFJBBY-LBPRGKRZSA-N 246.354 2.461 0 40 BEAB COc1ccc(SC(C)=O)cc1F 95730901 VSRHOHRGDNRPLE-UHFFFAOYSA-N 200.234 2.473 0 40 BEAB Nc1c[nH]c2ncc(Br)c(F)c12 95936834 VZHJRYVFKSFRKL-UHFFFAOYSA-N 230.040 2.047 0 40 BEAB COC[C@@H](C)N(C)c1nc2ccccc2o1 95951836 BYQLJGJWNFLTBX-SECBINFHSA-N 220.272 2.299 0 40 BEAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1 100936856 PQUMMGONKCIJMR-MXWKQRLJSA-N 219.284 2.446 0 40 BEAB CC1(C)C[C@]23[C@H]4COC(=O)[C@@H]2CC[C@@H]1[C@@H]3CC4=O 101184844 BBIDMUQZCCGABN-YQEZVOHVSA-N 248.322 2.191 0 40 BEAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CC[C@@H]1C2 102099231 WPKAHZWKGMWFDM-WZRBSPASSA-N 230.311 2.134 0 40 BEAB CCCC(=O)c1ccccc1C(=O)OC 107778699 HMKNPZZDRSKWIU-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB C=C[Sn](Cl)(Cl)C=C 195765493 LWHKXKZPLXYXRO-UHFFFAOYSA-L 243.709 2.357 0 40 BEAB O=C(C1CC1)N1CCC[C@@H]1CCc1ccncc1 205689748 PYPRCOWUKDGJIM-CQSZACIVSA-N 244.338 2.415 0 40 BEAB COc1c(C(=O)O)ccc(F)c1Cl 214573373 IFDYZCSVRQJCNY-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB Fc1ccc(CN2CCN[C@@H]3CCC[C@H]32)cc1 218842460 LBRLCNDADHUNML-ZIAGYGMSSA-N 234.318 2.152 0 40 BEAB CC[C@H](NC(=O)COC)c1ccccc1C 224121015 BFPYDAZEMUNITF-LBPRGKRZSA-N 221.300 2.209 0 40 BEAB COC(=O)c1nc(C(F)(F)F)ccc1C 238343544 RMYDGRRORQHGAV-UHFFFAOYSA-N 219.162 2.195 0 40 BEAB O=Cc1c(Br)cnc(F)c1Cl 708990355 NHMKGCGJRNUGIB-UHFFFAOYSA-N 238.443 2.449 0 40 BEAB COCc1nnc(NC(=O)CC(C)(C)C)s1 477744 ORHZRGZAEQRQRG-UHFFFAOYSA-N 243.332 2.059 0 40 BEAB C[C@@H]1CC[C@H](n2cnc3c(=S)[nH]cnc32)O1 1694524 NJBZWOFTQWSFOI-RNFRBKRXSA-N 236.300 2.186 0 40 BEAB NC(=O)Cc1ccc2c(c1)[nH]c1ccccc12 1697110 FXYYHFHQOYZNNW-UHFFFAOYSA-N 224.263 2.349 0 40 BEAB COc1c(C)cc(C(=O)CCC(=O)O)cc1C 2378625 UXBGNNIUWXVYLX-UHFFFAOYSA-N 236.267 2.360 0 40 BEAB O=Cc1ccc(N2CCCC2=O)c(Cl)c1 6862869 YKOBCCFSGVSUCX-UHFFFAOYSA-N 223.659 2.279 0 40 BEAB CCc1c(C)[nH]n(-c2ccc(OC)cc2)c1=O 9939628 LJJPRKXBAHEITE-UHFFFAOYSA-N 232.283 2.045 0 40 BEAB O=C(NCc1cccs1)c1ccccn1 12853786 MSOQEUOCQDDHDE-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB CCCOCCOc1ccc(N)c(C)c1 14630801 KDAXEFXQOPUQHI-UHFFFAOYSA-N 209.289 2.383 0 40 BEAB COC(=O)/C(=C/c1ccccc1)C(C)=N 16382804 ZNICRJNTAGOCDD-JDYWATNUSA-N 203.241 2.283 0 40 BEAB O=C(O)Cc1cc(-c2ccc(F)cc2)on1 20270419 ZVHVHPPPJAWTRL-UHFFFAOYSA-N 221.187 2.108 0 40 BEAB CN[C@@]1(CN2CCCC2)CCc2ccccc2C1 22029095 UBDASNATHZNUNT-INIZCTEOSA-N 244.382 2.229 0 40 BEAB Nc1cnccc1C(=O)Nc1cccc(F)c1 22073263 GYWDJTFASOOSHX-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB CCn1nccc1C(=O)N[C@H](C)c1ccccc1 28230785 KYYPMAIXEXNNLB-LLVKDONJSA-N 243.310 2.394 0 40 BEAB O=C(NCCc1cccnc1)c1cccc(F)c1 32348099 RAXWJXOBRKMIRX-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB COc1cccc(CCCCO)c1OC 34420241 CNJONWGTMFWPDT-UHFFFAOYSA-N 210.273 2.019 0 40 BEAB CN(CCc1ccccn1)c1ccc(Cl)nn1 34938211 SUCCWESAFZWLPX-UHFFFAOYSA-N 248.717 2.204 0 40 BEAB CC(=O)c1c(F)cccc1N1CCOC[C@@H]1C 35237039 ZEDNIJVJYNZVIA-VIFPVBQESA-N 237.274 2.253 0 40 BEAB Cc1ccc(CCNC[C@@H]2CCCO2)cc1 37927522 XXEJOGPOFQZTRB-AWEZNQCLSA-N 219.328 2.306 0 40 BEAB in-vitro CN1CCO[C@H]1c1ccccc1Br 39405693 HDQISVZIHFZWEY-JTQLQIEISA-N 242.116 2.410 0 40 BEAB CCOCCCNC(=O)c1ccc(C)c(F)c1 40467573 PWOOUKOYHKECEP-UHFFFAOYSA-N 239.290 2.291 0 40 BEAB Cc1ccc(CNCc2cc[nH]n2)c(C)c1 41013753 AFVUWJZSLFDBGX-UHFFFAOYSA-N 215.300 2.316 0 40 BEAB COC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C 41424146 KVWROTRFKNMNCH-CMPLNLGQSA-N 235.283 2.215 0 40 BEAB N=C(N)c1ccc(OC(F)F)c(Cl)c1 42411021 SQJUSWUYGXGJAD-UHFFFAOYSA-N 220.606 2.225 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCCc1ccccc1 44866035 HEMJRMPGCWQHEW-YPMHNXCESA-N 217.312 2.391 0 40 BEAB COc1ccc(NC(=O)NCc2ccoc2)cn1 44950818 XWFITHMHHKKWPN-UHFFFAOYSA-N 247.254 2.005 0 40 BEAB COC[C@H](C)NCc1ccc(F)c(C)c1 50544539 OSKBIGUJYGLOBZ-JTQLQIEISA-N 211.280 2.259 0 40 BEAB Cc1ncn(-c2ccc(C(=O)O)cc2)c1C 51926226 VMMPSXQCMYHXOY-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB C[C@H](O)C(=O)Nc1ccc(Cl)cc1Cl 57522999 KMLRVMPNRXYAPK-YFKPBYRVSA-N 234.082 2.313 0 40 BEAB in-vitro C[C@@H]1CCCN(C(=O)CNc2ccccc2)C1 58372455 CDNKWXRZVRYOHU-GFCCVEGCSA-N 232.327 2.357 0 40 BEAB COc1cccc(N2CCN(CC(C)C)CC2)c1 58466325 CVPGLZNBQYXSJO-UHFFFAOYSA-N 248.370 2.473 0 40 BEAB CCOC(=O)n1c(C)nc2ccccc21 59413156 QBYQLTVSIZKJNG-UHFFFAOYSA-N 204.229 2.349 0 40 BEAB CCOC(=O)c1c[nH]c2c(F)cc(C)cc2c1=O 60175560 KEWAAPTWQARHSY-UHFFFAOYSA-N 249.241 2.152 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 62720159 DYBOZKSUIBJLJN-PHDIDXHHSA-N 216.158 2.292 0 40 BEAB in-vitro O=C(O)[C@H]1CCN[C@H](C2CCCCC2)C1 74148227 ODFLYTQSBJFZEJ-QWRGUYRKSA-N 211.305 2.020 0 40 BEAB O=C1C(=O)N(CC2CCC2)c2ccccc21 83839465 NLPIYUDVQYVCMP-UHFFFAOYSA-N 215.252 2.016 0 40 BEAB COC(=O)c1n[nH]c2cc(C(F)(F)F)ccc12 89195928 VSKCVMICQDVGNJ-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB CCO[C@H](C)c1noc([C@H]2CCCOC2)n1 89984973 BQHWIFQXCJDEAA-BDAKNGLRSA-N 226.276 2.061 0 40 BEAB COC(=O)/C=C/CC[C@@H]1CCCCC1=O 91251956 FGUOUYUAAAKNPS-CYNRKNSPSA-N 210.273 2.255 0 40 BEAB COc1ccc2c(c1)OCCC[C@@H]2NC(C)=O 94992635 SFKVWTHLMQTRCF-LBPRGKRZSA-N 235.283 2.045 0 40 BEAB Cc1cc(C)n(C[C@H](C)Nc2ccccn2)n1 95403124 JJCLMWSBXGBRNR-NSHDSACASA-N 230.315 2.396 0 40 BEAB CN(Cc1nccs1)C[C@H]1CCCOC1 95426338 STVPSIWMQYIPAA-SNVBAGLBSA-N 226.345 2.002 0 40 BEAB CSc1cccc(C(=O)CCC(=O)O)c1 95634501 WZAHRVUGMDHQAZ-UHFFFAOYSA-N 224.281 2.456 0 40 BEAB CC(C)[C@H]1CN(c2cnccn2)CCS1 95962023 HCALOVVQIKSAHK-SNVBAGLBSA-N 223.345 2.054 0 40 BEAB O=C(Nc1nc(C2CC2)no1)[C@@H]1CC=CCC1 96407932 WFVIQRNNAUKCDI-SECBINFHSA-N 233.271 2.242 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1cccc(F)c1 96529860 RNQHMAAQVMREMW-SKDRFNHKSA-N 209.264 2.265 0 40 BEAB O=Cc1nc(C(F)(F)F)c(Br)[nH]1 96917348 AISZGPXABGEVRT-UHFFFAOYSA-N 242.982 2.004 0 40 BEAB Fc1ccc(-n2ccc(Cn3ccnc3)n2)cc1 98015966 SLVCGIXWBXBJKR-UHFFFAOYSA-N 242.257 2.256 0 40 BEAB CO[C@@H]1CN=C(Nc2ccccc2)S1 147997732 HPMPEHVQMGKPGC-VIFPVBQESA-N 208.286 2.174 0 40 BEAB O=C(O)c1ccc2occ(Br)c2n1 214892038 MBWYUCSMNZHVBI-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB Cc1ccc2c(NCCN)ccnc2c1C 222676388 KMUGWBMMQZAPLM-UHFFFAOYSA-N 215.300 2.222 0 40 BEAB CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H](C)CC1 225513822 ISIJZVGGOLRLTD-IJLUTSLNSA-N 242.363 2.025 0 40 BEAB Cc1cc(F)ccc1N1CCN[C@H]2CCC[C@@H]21 225717430 PDPKXEVVDGTIIZ-JSGCOSHPSA-N 234.318 2.465 0 40 BEAB CC1=Nc2c(C)cccc2[C@@H](OCC(N)=O)C1 227148433 KQELLQJMBPHAOX-NSHDSACASA-N 232.283 2.034 0 40 BEAB CCOC(=O)c1cc(-c2cccc(C#N)c2)on1 260008396 FLFXAYYDPOKFRS-UHFFFAOYSA-N 242.234 2.390 0 40 BEAB O=C(O[C@H]1CN2CCC1CC2)c1cccc(F)c1 187964 HLGYICYUDIYGIY-ZDUSSCGKSA-N 249.285 2.077 0 40 BEAB COC(=O)/C=C/C(=O)Nc1ccccc1C(C)C 386830 WCMUUUVUFONBEZ-CMDGGOBGSA-N 247.294 2.478 0 40 BEAB COc1cccc(OC)c1[C@H]1CCCN1 3732288 ZPZQQZBQBVNECV-SECBINFHSA-N 207.273 2.128 0 40 BEAB Cn1c(C(=O)NC2CC2)cc2sccc21 4971159 ZYZYMGMJEGNXJW-UHFFFAOYSA-N 220.297 2.132 0 40 BEAB Cc1nnc2ccc(NCc3ccccc3)nn12 5748810 PMBUPLYJRDGQQQ-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB CC1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 8743667 NINHCXRMCGYAIJ-UHFFFAOYSA-N 226.279 2.271 0 40 BEAB CCCCC(=O)NCCc1ccc(O)cc1 11638462 PCOQWVBCOWOSPT-UHFFFAOYSA-N 221.300 2.241 0 40 BEAB O=C(Nc1nncs1)C12CCC(CC1)C2 12618640 SZTRFYJOHQHDNJ-UHFFFAOYSA-N 223.301 2.057 0 40 BEAB CCONC(=O)c1cc(Cl)ccc1F 12980161 JHWGXIHZQNGKIF-UHFFFAOYSA-N 217.627 2.160 0 40 BEAB CNCCOc1cc(F)ccc1Cl 14628591 BPYCBSLWOMFBPW-UHFFFAOYSA-N 203.644 2.077 0 40 BEAB CN(C)[C@H](C(=O)O)c1c(F)cccc1Cl 16873036 SZFVVORRSYZEMM-VIFPVBQESA-N 231.654 2.166 0 40 BEAB biogenic,in-vitro COc1ccccc1CNCC(C)(C)N(C)C 20125673 MPLBPJBUWVMZMQ-UHFFFAOYSA-N 236.359 2.125 0 40 BEAB Cc1ccc2c(CCC(=O)O)c[nH]c2c1 20269210 BZQVNBRRLIMNAA-UHFFFAOYSA-N 203.241 2.494 0 40 BEAB in-vitro Cc1c(SC(=N)N)c2ccccc2n1C 26422290 NSDYLTVZPYDTLA-UHFFFAOYSA-N 219.313 2.472 0 40 BEAB CCCC[C@H](O)CNCc1ccccc1 26897782 HQBWWSLWQZDYQM-ZDUSSCGKSA-N 207.317 2.327 0 40 BEAB COc1cccc(NC(=O)N2CCSC2)c1 28232198 ODDFFVPHKYMVNM-UHFFFAOYSA-N 238.312 2.233 0 40 BEAB C[C@@]1(c2ccncc2)NC(=O)c2ccccc2N1 32666119 LMMCMMIOPGEWKR-AWEZNQCLSA-N 239.278 2.110 0 40 BEAB CNC(=O)C1(c2ccccc2F)CCCC1 32999466 LSQOWVDGKMXEJA-UHFFFAOYSA-N 221.275 2.384 0 40 BEAB FC(F)(F)Oc1ccc([C@@H]2CNCCO2)cc1 36965115 JMNHBVHPPNOGJS-JTQLQIEISA-N 247.216 2.246 0 40 BEAB CCCOc1nc(C)cc(C)c1C(=O)O 38010354 RNJCHSODJRQYBT-UHFFFAOYSA-N 209.245 2.185 0 40 BEAB CCC(=O)N(c1ccccc1)[C@@H]1CCNC[C@H]1C 38919195 REORAZISQPSCHR-TZMCWYRMSA-N 246.354 2.428 0 40 BEAB Cc1ccc(C)c(C(=O)NCC2(O)CCCC2)c1 44158331 DUZMMPVWQJSCDO-UHFFFAOYSA-N 247.338 2.338 0 40 BEAB OCC1(c2cccc(Br)c2)CC1 60030928 CDIOPADYQGYOTP-UHFFFAOYSA-N 227.101 2.473 0 40 BEAB O=C(O)[C@@H]1CCCC[C@@H]1c1cccnc1 62569311 JVDWCSFNPJYXRT-GHMZBOCLSA-N 205.257 2.440 0 40 BEAB Cc1noc(C)c1CNC(=O)CC(C)(C)C 67755887 JYXCVDXTYWECIH-UHFFFAOYSA-N 224.304 2.344 0 40 BEAB Cc1ncccc1CN[C@H](C)[C@@H](C)n1cccn1 69350010 ALHJVZMXBWSESZ-DGCLKSJQSA-N 244.342 2.326 0 40 BEAB O=C(NCc1ccc(F)c(Cl)c1)NC1CC1 69812155 YVZCXTXPRGOKNU-UHFFFAOYSA-N 242.681 2.441 0 40 BEAB Brc1ccc(O[C@@H]2CCOC2)cn1 72193036 GTPQXWJSCDZMKF-MRVPVSSYSA-N 244.088 2.012 0 40 BEAB Clc1ccc(CNC[C@@H]2CCCN2)cc1 72202927 XYNRULYVFXCODS-LBPRGKRZSA-N 224.735 2.182 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cncc(C)c1 72211337 GNCXUMPLVUFMAJ-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB C[C@H](Oc1ccc2ccoc2c1)C(=O)O 72219763 LLEFRDLKWCRPFR-ZETCQYMHSA-N 206.197 2.285 0 40 BEAB Cc1cc([C@@H](C)O)cnc1N1CCCC1 72222434 HFDWKCOTGHJYFK-SNVBAGLBSA-N 206.289 2.044 0 40 BEAB CCCn1cc(C(=O)O)c2ccccc2c1=O 72416143 BQLDERQCEMVAOI-UHFFFAOYSA-N 231.251 2.110 0 40 BEAB CC(C)CCNC(=O)c1ccc2c(c1)ncn2C 74705559 BNGMDILJMFWISJ-UHFFFAOYSA-N 245.326 2.349 0 40 BEAB OCc1ccc(CNCc2ccccc2)o1 81546743 KMQLSMYRAWYNNR-UHFFFAOYSA-N 217.268 2.062 0 40 BEAB OCc1ccn(-c2ccc(Cl)cc2)n1 84179386 UIDZEPIKEGWVKJ-UHFFFAOYSA-N 208.648 2.018 0 40 BEAB COc1cc(-c2nc(C(C)(C)C)n[nH]2)ccc1O 85384194 MPFJGARSTDMZTL-UHFFFAOYSA-N 247.298 2.483 0 40 BEAB O=C([C@@H]1CCCc2[nH]ncc21)N1CCCCCC1 89764894 LVUSFWRCPJWUKI-LLVKDONJSA-N 247.342 2.232 0 40 BEAB COC(=O)c1[nH]cc(-c2cccs2)c1N 90513105 RWBFSQJABAVDBL-UHFFFAOYSA-N 222.269 2.112 0 40 BEAB CC[C@H](SC[C@@H](O)CO)c1ccccc1 95407549 ORCFUUSYTLRTGF-RYUDHWBXSA-N 226.341 2.224 0 40 BEAB CN(CCSc1cnn[nH]1)c1ccccc1 95414731 NGDZELYHDUGWPD-UHFFFAOYSA-N 234.328 2.033 0 40 BEAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(C)=O 95423386 OVCBAGNIFOUREM-GHMZBOCLSA-N 213.321 2.058 0 40 BEAB CC[C@@H](NCc1ncc(C)o1)[C@H]1CCCO1 96013922 UPUZMJRYQFYLLZ-GHMZBOCLSA-N 224.304 2.030 0 40 BEAB Cn1c(=S)[nH]c2c(oc3ccccc32)c1=O 102899988 LNIHVTZTOVSSPE-UHFFFAOYSA-N 232.264 2.342 0 40 BEAB O=C(NCCc1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 106509400 VQFBOIIAHHRCCG-MELADBBJSA-N 244.338 2.177 0 40 BEAB CC(C)(C)OC(=O)NCC1(CO)CCCCC1 156180855 MOTUOQOPVFFWAT-UHFFFAOYSA-N 243.347 2.454 0 40 BEAB O=c1c(Br)cccn1C(F)F 161713879 AVZMVLBYVKPAAY-UHFFFAOYSA-N 224.004 2.006 0 40 BEAB CN(Cc1ccncc1)Cc1cncs1 183736879 GSRHDZQAPPICAV-UHFFFAOYSA-N 219.313 2.170 0 40 BEAB COC(=O)[C@]1(C)CC[C@@](C)(C(=O)OC)C1(C)C 217719582 VCILIHQXYYGSBR-STQMWFEESA-N 242.315 2.165 0 40 BEAB COC(=O)[C@H]1Cc2c(n(C)c3ccccc23)C1 217911808 URBBDLKAJDBGEP-VIFPVBQESA-N 229.279 2.066 0 40 BEAB CC1CCC(Nc2ncnc3nccnc23)CC1 222285747 PEBGZLAJFUIORY-UHFFFAOYSA-N 243.314 2.410 0 40 BEAB COc1ccc([C@@H](O)c2ccccc2)cc1N 226292526 UYRFMGXBVGZBBF-AWEZNQCLSA-N 229.279 2.359 0 40 BEAB CC(C)=CC(=O)N1CC[C@@H](Oc2ccncc2)C1 240002272 PQWZGFLDDWNUFW-CYBMUJFWSA-N 246.310 2.028 0 40 BEAB Cc1cn(C)nc1NCc1cn(C(C)C)nc1C 256050000 CFFVYWBTAUKIOC-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB F[C@H]1CCC[C@H]1Nc1ncc(Cl)cn1 307136130 SVYKAMAZQYWQEG-JGVFFNPUSA-N 215.659 2.433 0 40 BEAB OCc1ccc(OCCC2CCC2)cn1 398592733 QAKMAWBBDVXFEX-UHFFFAOYSA-N 207.273 2.143 0 40 BEAB CCOC(=O)CC(=O)c1ccnc2ccccc12 514278267 SKERXAJTGRRJTA-UHFFFAOYSA-N 243.262 2.371 0 40 BEAB OCc1nn(C2CCCC2)cc1Br 685936364 SWERGMCMLMZLPC-UHFFFAOYSA-N 245.120 2.253 0 40 BEAB COCC(C)(C)n1cc(Br)cn1 953037499 MWYDUUJMBCZPDN-UHFFFAOYSA-N 233.109 2.027 0 40 BEAB C[C@H]1CC[C@@H](N=c2c(N)c[nH]c3ccoc23)C1 2362804270 CNKWAWYDPHADMI-DTWKUNHWSA-N 231.299 2.432 0 40 BEAB COc1cc(C=O)ccc1OCc1ccncc1 227056 JSFYMQUBZVFHHJ-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB biogenic CCCc1nnc(NC(=O)C(C)C)s1 322867 HASAUSUTMVKVQQ-UHFFFAOYSA-N 213.306 2.085 0 40 BEAB COc1ccc(CN2CCCC2)c(OC)c1 819200 VNCZLJVASDQDBK-UHFFFAOYSA-N 221.300 2.300 0 40 BEAB O=C(O)CNc1ccc(Cl)c(Cl)c1 1604852 BBWWOXQXCLAUKG-UHFFFAOYSA-N 220.055 2.490 0 40 BEAB CSCc1nc2ccccc2c(C)[n+]1[O-] 1681138 OSTXDHZFOGTKMD-UHFFFAOYSA-N 220.297 2.040 0 40 BEAB CCCCn1cnc2c(SC)ncnc21 1718869 OHHJPJULCIJFST-UHFFFAOYSA-N 222.317 2.348 0 40 BEAB in-vitro Oc1ccc(-c2cn3c(n2)CCC3)cc1 1811882 VNYSBZIURZALDO-UHFFFAOYSA-N 200.241 2.202 0 40 BEAB Nc1cnccc1NCCc1ccccc1 1847406 GTPRIIRYAKHRTI-UHFFFAOYSA-N 213.284 2.318 0 40 BEAB C[C@@]12CCCC[C@@]13NC(=O)CN3c1ccccc12 3999025 BNTKETXJVKCBBV-GJZGRUSLSA-N 242.322 2.164 0 40 BEAB biogenic C(=C/c1ccnc2ncnn12)\c1ccccc1 4073152 JYHWQJLJYLZPIC-VOTSOKGWSA-N 222.251 2.295 0 40 BEAB CC1=C(C=NNC(N)=O)[C@H](C)c2ccccc21 4266751 PRCIILUEVISNEC-MRVPVSSYSA-N 229.283 2.231 0 40 BEAB biogenic CC(C)CN(CC(C)C)C(=O)[C@H]1CCCO1 5384243 VDSZZOQODSDCAO-GFCCVEGCSA-N 227.348 2.306 0 40 BEAB CCOC1=Nc2ccccc2[C@@]1(C)CCO 5662791 ZQSXTLDAMMTLFT-CYBMUJFWSA-N 219.284 2.407 0 40 BEAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)C[C@H](C)O1 5676492 LRHCUXPHENVHGT-TYDXBBDOSA-N 245.322 2.336 0 40 BEAB CN[C@@H]1CCc2[nH]c3ccccc3c2C1 5996503 GHRYJTRLPDSVOY-SECBINFHSA-N 200.285 2.245 0 40 BEAB CCN(CC)C(=O)Nc1nc2ccccc2[nH]1 6187123 FSMHHXDAXGKTQN-UHFFFAOYSA-N 232.287 2.437 0 40 BEAB O=C(O)CCSCC(=O)c1ccccc1 6927252 YFJAEXQQOGRJMM-UHFFFAOYSA-N 224.281 2.077 0 40 BEAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC 8050140 OXIHZLWSNWMPAY-SNVBAGLBSA-N 227.691 2.243 0 40 BEAB C[C@H](N)c1csc(-c2ccccn2)n1 11568393 RXOODWNNEMUXJA-ZETCQYMHSA-N 205.286 2.225 0 40 BEAB Cc1cc(-c2cc(C(=O)O)nn2C)ccc1F 11801865 MBIOHJHURPJHGN-UHFFFAOYSA-N 234.230 2.233 0 40 BEAB CCCNC(=O)c1cn(C)c2ccccc12 12538181 MIUCRCUULCQDEK-UHFFFAOYSA-N 216.284 2.318 0 40 BEAB C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)O 13609102 PHTYQJHFTKTHQB-RXMQYKEDSA-N 218.611 2.331 0 40 BEAB CCCCc1c(-c2ccccc2)nc(N)[nH]c1=O 17040409 FKXTVVBQOKYYSU-UHFFFAOYSA-N 243.310 2.362 0 40 BEAB C[C@@H]1CCCN(Cc2ccc(C(=N)N)cc2)C1 19437462 WNLYZIYEIXEIGU-LLVKDONJSA-N 231.343 2.203 0 40 BEAB OCCCN[C@H]1CCCc2ccccc21 20188441 ACYROAKFDBXHES-ZDUSSCGKSA-N 205.301 2.036 0 40 BEAB in-vitro CCc1ccc(OCC(=O)Nc2ccon2)cc1 20212317 QMPOUNVLSIXGSH-UHFFFAOYSA-N 246.266 2.255 0 40 BEAB NCc1ccc(NC(=O)c2cccs2)cc1 20224320 WPGSNXRMMMHSCX-UHFFFAOYSA-N 232.308 2.459 0 40 BEAB CN1CCCC[C@@H]1COc1ccc(CN)cc1 20352302 ISLOBPONDVTOBC-CYBMUJFWSA-N 234.343 2.008 0 40 BEAB c1ccc2[nH]c(CCN3CCCC3)nc2c1 31559658 MYGTZWXBSAHKNF-UHFFFAOYSA-N 215.300 2.201 0 40 BEAB COc1ccc([C@@H](CN)N2CCCCC2)cc1 32509080 AJXUGVNIFNKCNF-CQSZACIVSA-N 234.343 2.181 0 40 BEAB CCCO[C@H](C)CN1C(=O)c2ccccc2C1=O 39404088 PBSKZHCWZAKSQT-SNVBAGLBSA-N 247.294 2.098 0 40 BEAB C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc[nH]c2=O)C1 40499066 GSOWPRNKBVCIAJ-WDEREUQCSA-N 248.326 2.026 0 40 BEAB CC(C)CC(=O)N(C[C@H]1CCOC1)C1CC1 46936763 LHNIWHAMUDYGPT-LLVKDONJSA-N 225.332 2.060 0 40 BEAB CN[C@@H]1CCCN(Cc2ccc(F)cc2)C1 53201422 JOSDAGWYZQVTNP-CYBMUJFWSA-N 222.307 2.010 0 40 BEAB CN[C@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 53202243 XAACBXMQRQUNFS-ZDUSSCGKSA-N 246.354 2.127 0 40 BEAB C=CCn1cc(C(=O)NC)c2ccccc21 57430784 WXLYARAGQOMZLI-UHFFFAOYSA-N 214.268 2.187 0 40 BEAB CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 57792325 HZFGVRIGRCFKJH-PSASIEDQSA-N 207.273 2.082 0 40 BEAB CCOC(=O)CCCc1ccc(CN)cc1 59813908 YEZODOSKIMQNKD-UHFFFAOYSA-N 221.300 2.031 0 40 BEAB CNCc1c(OCC(=O)O)ccc2ccccc12 62717003 BFKVHWIYFXQSRQ-UHFFFAOYSA-N 245.278 2.023 0 40 BEAB O=C(CSc1cc(F)ccc1F)N1CCC1 65594922 AQJDHIRZSPWRMD-UHFFFAOYSA-N 243.278 2.289 0 40 BEAB Brc1ccc(O[C@H]2CCOC2)cn1 72193037 GTPQXWJSCDZMKF-QMMMGPOBSA-N 244.088 2.012 0 40 BEAB CC(C)[C@@H](C)Oc1ccccc1[C@@H](O)CN 72220130 ITGCVAJWXCSFHD-PWSUYJOCSA-N 223.316 2.102 0 40 BEAB COc1ccc(OC)c([C@@H]2CCCCN2C=O)c1 72221897 XJHWOHXLFBZDEH-ZDUSSCGKSA-N 249.310 2.387 0 40 BEAB CN1CCC(C(=O)Nc2cccc(F)c2)CC1 74713420 OXNXWPFRKKRBIC-UHFFFAOYSA-N 236.290 2.106 0 40 BEAB CC(=O)C1(C(=O)c2cccc(F)c2)CC1 77299356 CRLWWSWGUBLRNM-UHFFFAOYSA-N 206.216 2.378 0 40 BEAB Nc1cc(-c2ccc3ncccc3c2)on1 85278460 VBWQKYAHESPYSU-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB in-vitro Cc1cc(Cl)n2nc(C3CCC3)nc2n1 85389272 XTWJFBUSWJCTAG-UHFFFAOYSA-N 222.679 2.354 0 40 BEAB COc1ccc2c(c1)-c1sc(N)nc1CC2 86119233 HNUAWEJJZKFBNV-UHFFFAOYSA-N 232.308 2.500 0 40 BEAB in-vitro CC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 89336446 ZIVSWQWCHSQXEC-CHWSQXEVSA-N 227.348 2.496 0 40 BEAB CC(C)(C)c1csc(Cn2cncn2)n1 89725255 YOWOCZQWNXBYDW-UHFFFAOYSA-N 222.317 2.080 0 40 BEAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(C)=O 95423384 OVCBAGNIFOUREM-MNOVXSKESA-N 213.321 2.058 0 40 BEAB CN(CCOC(C)(C)C)C1CCC(CO)CC1 96485535 DIPKEIIEQOZJTE-UHFFFAOYSA-N 243.391 2.284 0 40 BEAB COC(=O)[C@@H](CC(C)(C)C)Sc1ncc[nH]1 96500989 BBFPGKPQEAKXGE-MRVPVSSYSA-N 242.344 2.480 0 40 BEAB CN1[C@@H]2CC[C@@H]1CC(NCCc1ccccc1)C2 100142724 NIFBNIANYCOETB-HZPDHXFCSA-N 244.382 2.444 0 40 BEAB CCc1cc(N2CCOCC2=O)ccc1Cl 199779318 JUNAHHVBMLIACA-UHFFFAOYSA-N 239.702 2.266 0 40 BEAB CSc1ncc2c(n1)C[C@@H](C(F)F)C[C@@H]2O 217649053 QPSXIVGKORDZCR-XRGYYRRGSA-N 246.282 2.059 0 40 BEAB Cc1cccc(N2CCN[C@@H]3CCC[C@@H]32)c1 225716362 IRQBARHHMZTBRJ-KGLIPLIRSA-N 216.328 2.326 0 40 BEAB CCCCNCc1cc(C(F)(F)F)nn1C 256051879 KWAHUVKKDVKDPY-UHFFFAOYSA-N 235.253 2.329 0 40 BEAB Cc1ccc([C@H]2CCN(C)C[C@H]2CO)cc1 299803678 PNSQELDDLYCOEM-UONOGXRCSA-N 219.328 2.023 0 40 BEAB Cc1cncc(N2C[C@H]3CCC[C@H]3C2)n1 302095872 JDRWPPVBNPQPES-PHIMTYICSA-N 203.289 2.021 0 40 BEAB C[C@@]1(O)CCC[C@@H]1NCc1ccccc1 306454975 ZVEQSCRTRZHYTD-QWHCGFSZSA-N 205.301 2.080 0 40 BEAB C[C@]1(CNC(=O)OCc2ccccc2)C[C@@H](N)C1 953078825 MPUUQCYYEPBMGD-XBXGTLAGSA-N 248.326 2.040 0 40 BEAB c1cc2c(c(NC3=NCCO3)c1)CCCC2 7220 PSFTWRBPOOGWNS-UHFFFAOYSA-N 216.284 2.364 0 40 BEAB C[C@H](Sc1ncnc2ccccc12)C(=O)O 34089 UMMDOUOBKCUKSN-ZETCQYMHSA-N 234.280 2.195 0 40 BEAB CC(=O)N1CCN(c2ccccc2Cl)CC1 1561680 LBSHKCUTMCYUOW-UHFFFAOYSA-N 238.718 2.009 0 40 BEAB biogenic CC[C@@H](N)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 3681320 CVZCIFAVWVMZIQ-HXFVIYLFSA-N 209.333 2.055 0 40 BEAB COP1(OC)(OC)OC(C)=C(C)O1 4352554 FMHPXHSMBAZDOS-UHFFFAOYSA-N 210.166 2.352 0 40 BEAB N=C1c2ccccc2CN1C[C@@H]1CCCO1 5322152 MKKJXDCIPYHWCK-NSHDSACASA-N 216.284 2.007 0 40 BEAB COc1ccc([C@H]2CC(C(C)(C)O)=NO2)cc1 5383923 BGYNDIGESOKEIR-LLVKDONJSA-N 235.283 2.284 0 40 BEAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(OC)c1 5461555 ADRWLHXWNYGAMI-WPRPVWTQSA-N 235.283 2.298 0 40 BEAB CCCCNC(=S)NC(=O)c1ccccc1 5523516 YJBJLELTANNVNB-UHFFFAOYSA-N 236.340 2.091 0 40 BEAB Cc1cc2ncn([C@H](C)C(=O)O)c2cc1C 10382619 VYZXMWIHJFIFBE-SECBINFHSA-N 218.256 2.299 0 40 BEAB O=C(Nc1ccc(O)cc1)c1ccc(O)cc1O 20211194 AVYPXMGFAUDRHH-UHFFFAOYSA-N 245.234 2.056 0 40 BEAB Cc1cccc([C@H](CN)N2C[C@H](C)O[C@H](C)C2)c1 22214798 CLNKIICQKRMIRN-GUTXKFCHSA-N 248.370 2.104 0 40 BEAB Cc1cc2c(Br)c(O)cnc2[nH]1 31777221 TWWGKLHMDGZWAH-UHFFFAOYSA-N 227.061 2.339 0 40 BEAB C[C@@H](NC(=O)Nc1ccccc1)[C@H]1CCCO1 32779594 ORVMNWRTDGUJFL-ZYHUDNBSSA-N 234.299 2.376 0 40 BEAB Cc1ccc(CCC(=O)N2CCO[C@@H](C)C2)cc1 32865188 UVKPGQWNSQRQGE-ZDUSSCGKSA-N 247.338 2.175 0 40 BEAB O=C(c1ccc(Cl)cc1)c1cncnc1 34112727 ZDWRULLIEOEBRC-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB in-vitro CNC1CCN(c2ccc(F)cc2)CC1 37241393 AUSNPJYBXBQNMN-UHFFFAOYSA-N 208.280 2.014 0 40 BEAB in-vitro O=C1CC[C@]2(CCCc3ccccc32)N1 38271627 GRMWQKUXYAXHDB-ZDUSSCGKSA-N 201.269 2.128 0 40 BEAB CCOC(=O)C(C(F)(F)F)C(F)(F)F 39946535 HOSPDBQHPFVHEZ-UHFFFAOYSA-N 224.100 2.290 0 40 BEAB CCN(CC)S(=O)(=O)c1ccc(F)cc1C 41091191 QOYACDJIVNIBRN-UHFFFAOYSA-N 245.319 2.165 0 40 BEAB Cn1cc(NC(=O)Nc2ccc(F)cc2)cn1 43273256 KZRZTTAPMXVRKL-UHFFFAOYSA-N 234.234 2.203 0 40 BEAB CCNC(=O)c1cc2ccc(OC)cc2nc1C 48693775 PZPJYCBXPKQTDB-UHFFFAOYSA-N 244.294 2.302 0 40 BEAB CCONC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 49346457 RZWARJJZDJLAAD-CHWSQXEVSA-N 249.310 2.222 0 40 BEAB CCOC(=O)N1CCCc2ccc(N)cc21 51296560 MXDQMWHAXGYMIN-UHFFFAOYSA-N 220.272 2.178 0 40 BEAB CSc1nncn1-c1ccccc1C 58325723 KTXUVWYWDIMJTQ-UHFFFAOYSA-N 205.286 2.298 0 40 BEAB Clc1cc2ccccc2c(N2CCNCC2)n1 59855108 HXFMSBAZIBPWDD-UHFFFAOYSA-N 247.729 2.298 0 40 BEAB O=C(O)CCCN1CCCc2ccccc2C1 62944860 YISQXBRBPDUECA-UHFFFAOYSA-N 233.311 2.300 0 40 BEAB c1cn(-c2cc(NC3CCCC3)ncn2)cn1 64543355 QREOAMGRFSLDAK-UHFFFAOYSA-N 229.287 2.017 0 40 BEAB O=C1OCC[C@@H]1N1CCC2(CCCCC2)CC1 65592190 CFKMCRNPZYKYSV-LBPRGKRZSA-N 237.343 2.348 0 40 BEAB O=C(O)c1coc(Cc2ccc(F)cc2)n1 71522771 DVOHVYLKRLVMOT-UHFFFAOYSA-N 221.187 2.103 0 40 BEAB Cc1cc(N2CCC[C@H](C)CC2)n2ncnc2n1 71842027 YDOTYTSHDNTKAT-JTQLQIEISA-N 245.330 2.059 0 40 BEAB CN(C)c1ccc(C(=O)c2ccccc2)cn1 72225140 OHHPMYLWSQSLGJ-UHFFFAOYSA-N 226.279 2.379 0 40 BEAB CCN(C[C@@H]1CCCCN1)C(=O)OC(C)(C)C 79437601 ZAOIIMCNCUNJQE-NSHDSACASA-N 242.363 2.386 0 40 BEAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1N 85520704 CXYDSYBZISZBRQ-NEPJUHHUSA-N 205.301 2.329 0 40 BEAB in-vitro COc1ccc(F)c(NC(=O)N2CCCC2)c1 88407077 DMPYQRDTJMXWFF-UHFFFAOYSA-N 238.262 2.462 0 40 BEAB CCOc1c(F)cc([C@H](C)O)cc1F 95739429 SNNMEWBQNQVAFO-LURJTMIESA-N 202.200 2.417 0 40 BEAB CC[C@@H](COC)NCCc1sc(C)nc1C 95967839 FVKHTNWFCQWXOO-NSHDSACASA-N 242.388 2.317 0 40 BEAB CSC[C@H](C)C(=O)Nc1cc(F)ccc1O 96452124 GFFAEIAEZXOWTB-ZETCQYMHSA-N 243.303 2.469 0 40 BEAB Cc1cccc(NC[C@H](C2CC2)N(C)C)n1 97163296 RNYAPORLDJKMCO-GFCCVEGCSA-N 219.332 2.142 0 40 BEAB CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1ccccc1)C2 100248554 XQJMXPAEFMWDOZ-CHWSQXEVSA-N 245.322 2.469 0 40 BEAB in-vitro Cc1cc(C)cc(CN2C[C@@H]3C[C@H](CN3)C2)c1 106933862 LAODCPRYCHRVJP-CABCVRRESA-N 230.355 2.097 0 40 BEAB N[C@]12C[C@@H]1CN(Cc1ccc(Cl)c(F)c1)C2 107746489 XHWADQIBDOKNPJ-SKDRFNHKSA-N 240.709 2.012 0 40 BEAB O=C(O)c1ccnc(Cl)c1OC(F)(F)F 118587962 VDRKFHVMHAHSHY-UHFFFAOYSA-N 241.552 2.332 0 40 BEAB C[C@@H](NN)c1sccc1Br 161785524 YQVCOFIVOVBUHZ-SCSAIBSYSA-N 221.123 2.035 0 40 BEAB Cc1ccnc(NC(=O)CCC(F)(F)F)n1 194663852 IGEAFUIZDUKCQL-UHFFFAOYSA-N 233.193 2.066 0 40 BEAB Cc1cc(N)cc(C(F)(F)F)c1CO 208601556 RNVVIGKESWRBPQ-UHFFFAOYSA-N 205.179 2.088 0 40 BEAB CC(C)O[C@@H](Cc1ccc(F)cc1)C(=O)O 220489943 UYQQDDUOJRMTEC-NSHDSACASA-N 226.247 2.246 0 40 BEAB COC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 223698597 CXAOKDHXFNGUHW-NSHDSACASA-N 237.299 2.071 0 40 BEAB C[C@@H](O)c1cccc(-c2ccc(CO)o2)c1 226270185 PCJOWNLKURBEJZ-SECBINFHSA-N 218.252 2.492 0 40 BEAB CC[C@@H](C)N1CCS(=O)(=O)C(CC)(CC)C1 330032474 NUXBBVYHFWQUDU-LLVKDONJSA-N 247.404 2.074 0 40 BEAB CCCCOc1ccc(CC(=O)O)cc1O 504390636 ROKPIYIGWJSUCD-UHFFFAOYSA-N 224.256 2.198 0 40 BEAB CC(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H]2C)cc1 1546115788 UINUSYMRIBZZDD-QMTHXVAHSA-N 245.322 2.204 0 40 BEAB CC(=O)Nc1ccccc1NC(=O)c1ccco1 195384 NFFLSIYCAOCJSX-UHFFFAOYSA-N 244.250 2.490 0 40 BEAB CC1(C)CC(NCc2ccccn2)CC(C)(C)N1 798145 QIZILGTXDSTQQF-UHFFFAOYSA-N 247.386 2.480 0 40 BEAB Cc1cc2ncc(-c3cccs3)c(N)n2n1 1386215 WKMALWVLAZXBNQ-UHFFFAOYSA-N 230.296 2.348 0 40 BEAB CC[C@H](CC1(C)OCC(C)(C)CO1)C(=O)O 1677964 PBHYCFVJHHCPGC-SECBINFHSA-N 230.304 2.277 0 40 BEAB CCn1ncc(C(=O)N2CCC[C@H](C)C2)c1C 2781277 GWDKKEBTNFISMC-JTQLQIEISA-N 235.331 2.084 0 40 BEAB C[C@@H](N)c1cccc(I)c1 3705621 UYKFZJRBIDHFAG-ZCFIWIBFSA-N 247.079 2.311 0 40 BEAB CCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 4599400 NSFITNTYVQELKX-UHFFFAOYSA-N 248.326 2.077 0 40 BEAB O=C(O)CC[C@H]1C[C@H]1C(=O)c1ccccc1 5051920 BOBBSLDQCITZCL-WDEREUQCSA-N 218.252 2.370 0 40 BEAB CCOc1ccc2nc3n(c2c1)CCCN3 5285476 NXEWSSZMAFJHDP-UHFFFAOYSA-N 217.272 2.251 0 40 BEAB CCOC(=O)[C@H]1CSC(c2ccccc2)=N1 5759605 NLJHTKVOMRSESM-SNVBAGLBSA-N 235.308 2.112 0 40 BEAB CCC[C@@H]1O[P@](N)(=O)OC[C@@H]1CC 8581107 SQVIKHLRXOQWRH-UVPNAGLESA-N 207.210 2.295 0 40 BEAB CNC(=O)c1ccc2c3c(cccc13)CC2 11236724 VXKRMBUWQKGONE-UHFFFAOYSA-N 211.264 2.298 0 40 BEAB Cc1ccccc1-n1nnc(C(=O)O)c1C(C)C 11888080 BTWQZQCFXCIHOB-UHFFFAOYSA-N 245.282 2.397 0 40 BEAB Cc1ccc(N2CC[C@@H](CN)C2)cc1C 11891514 NKSNHGAXYRKHDG-LBPRGKRZSA-N 204.317 2.088 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(Cl)o1 12936629 BUIGHCNWKUERKM-ZCFIWIBFSA-N 201.653 2.461 0 40 BEAB Cc1n[nH]c(=S)n1NCc1ccc(F)cc1 18202883 WUFZQAVDLYCKHA-UHFFFAOYSA-N 238.291 2.132 0 40 BEAB CC[C@@]12OCCN1C[C@@H](c1ccccc1)O2 19864915 JOPJKJFVMPDVNI-STQMWFEESA-N 219.284 2.154 0 40 BEAB COc1ccc(C=O)c(Br)c1OC 20393885 BWFRHSRQIKGLLM-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB in-vitro CC(C)[C@H]1CNCCN1Cc1ccccc1 21986708 YXLPJNMJKHDTFJ-CQSZACIVSA-N 218.344 2.116 0 40 BEAB in-vitro CS(=O)(=O)c1cccc2ccccc12 21990884 RJDVUMLFYFNKEW-UHFFFAOYSA-N 206.266 2.243 0 40 BEAB CCCN1CCO[C@H](c2ccccc2)C1 28957344 VYAMLADJSHKTKB-ZDUSSCGKSA-N 205.301 2.470 0 40 BEAB CCN(CC)[C@H](CN)c1ccc(OC)cc1 32497018 XSGLRLYBPQGKSM-CYBMUJFWSA-N 222.332 2.037 0 40 BEAB O=C(NCc1ccc(Cl)cc1)n1ccnc1 32628607 VPNJCWHBPDNXKT-UHFFFAOYSA-N 235.674 2.294 0 40 BEAB in-vitro Cc1ccc(NC(=O)CCc2cccnc2)nc1 32815051 CBTVQVNPQWUJSI-UHFFFAOYSA-N 241.294 2.356 0 40 BEAB CC(C)SCC(=O)NCc1ccco1 40069947 OKOZUQHILKYAOL-UHFFFAOYSA-N 213.302 2.037 0 40 BEAB COc1ccccc1N1CCN(CC2CC2)CC1 41297971 KKEQKRWHDKSYTB-UHFFFAOYSA-N 246.354 2.227 0 40 BEAB CC/C=C(\C)C(=O)NC1CCN(C2CC2)CC1 42742955 PWQMQOJGMHIHPF-NYYWCZLTSA-N 236.359 2.086 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1cccs1 43545231 OUGFYXRJLGNINV-IUCAKERBSA-N 225.313 2.104 0 40 BEAB Cc1nc(Cc2ccccc2F)ncc1C(=O)O 43557971 WLSYHZYCOROTPY-UHFFFAOYSA-N 246.241 2.213 0 40 BEAB Cc1cc(NC(=O)N[C@H](C)c2ccccn2)no1 44889590 ABSORLAHGGPNAT-SECBINFHSA-N 246.270 2.261 0 40 BEAB S=C1NCCN1Cc1ccc(Cl)cc1 45364606 WVPKXFALOFLEAT-UHFFFAOYSA-N 226.732 2.030 0 40 BEAB CC(=O)N(Cc1ccc(F)cc1F)C1CC1 45413598 IXFZLYSYBAKRAK-UHFFFAOYSA-N 225.238 2.476 0 40 BEAB O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCOC1 49354966 WTXBVUUFXURRIV-SSDOTTSWSA-N 243.665 2.454 0 40 BEAB c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 70131297 DAPALCXWAIUWGM-JTQLQIEISA-N 215.256 2.161 0 40 BEAB CCC(CC)CNC(=O)N1C[C@H](C)O[C@H](C)C1 71856719 VGILEWGNNCLVKU-PHIMTYICSA-N 242.363 2.241 0 40 BEAB CCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)OC 71905523 ATLNOUOFXWFLDP-LBPRGKRZSA-N 249.310 2.381 0 40 BEAB CCN(CC)c1ncccc1[C@@H]1CCCN1C=O 72212883 DXXJNYCQDOVBPI-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1 72218843 ULHCFVWKBACDOC-CYBMUJFWSA-N 231.343 2.415 0 40 BEAB Cc1ccccc1NC(=O)C1CCN(C)CC1 74713306 IQWYAAUKDGDREJ-UHFFFAOYSA-N 232.327 2.275 0 40 BEAB COC[C@H]1CCCN(c2cccc(F)n2)C1 79089846 GCHFXAPITXSJPF-JTQLQIEISA-N 224.279 2.084 0 40 BEAB CC1(C)CN(C(=O)C2CCC2)CCS1 81851923 RMEIINLKNFOIDD-UHFFFAOYSA-N 213.346 2.141 0 40 BEAB O=C(O)C1(Oc2cccc(Cl)c2)CC1 85392768 FNJBOCKYDAWDDG-UHFFFAOYSA-N 212.632 2.336 0 40 BEAB CCn1cc(CNCc2cc(C)oc2C)cn1 85395897 KEXDTVYOLQRRKL-UHFFFAOYSA-N 233.315 2.403 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC1CCCCC1 89919258 IKLVLXQEMRZBLA-CHWSQXEVSA-N 211.349 2.460 0 40 BEAB COc1ccc(COc2cccnc2C)cn1 96007474 JDFUUCRGKYWRPY-UHFFFAOYSA-N 230.267 2.373 0 40 BEAB Cc1ccc(C(=O)N2CC[C@@]3(CCCO3)C2)cc1 96051017 OURDZSHBSHEEMT-HNNXBMFYSA-N 245.322 2.390 0 40 BEAB Cc1nc(OCC2CCCC2)cc(C(=O)O)n1 96524177 OTNPMGFTUUWLBT-UHFFFAOYSA-N 236.271 2.052 0 40 BEAB O=C(Oc1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2 100041784 CCLAJCJBGWIVGQ-LPEHRKFASA-N 204.225 2.397 0 40 BEAB Cn1c(S)nnc1-c1cc(F)cc(F)c1 103514994 KJXUWEXLYQOROQ-UHFFFAOYSA-N 227.239 2.049 0 40 BEAB CCN(CC)[C@@H](Cc1ccc(C)cc1)C(=O)O 107843888 USJSHEXISQPHID-ZDUSSCGKSA-N 235.327 2.333 0 40 BEAB COC(=O)c1cc(C)n(-c2nccs2)c1C 120851969 RJDYXDPECFIJLM-UHFFFAOYSA-N 236.296 2.337 0 40 BEAB CCC(=O)c1cc([N+](=O)[O-])c(F)cc1O 196768639 MOIMYEMOMQOJAR-UHFFFAOYSA-N 213.164 2.032 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CCCC(=O)C1 199828852 HSOQXTIUYUKOIY-SECBINFHSA-N 227.304 2.270 0 40 BEAB C[Si](C)(C)c1cc(F)c(C=O)cc1F 219790200 AHUJBSNPUOTCKR-UHFFFAOYSA-N 214.287 2.323 0 40 BEAB CCCNc1ccc(N)cc1C(=O)NC(C)C 225452096 ADDMLFVQCZAUGG-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB CC(C)(C)OC(=O)[C@H]1CCCC(=O)CC1 953102129 JWMWCHUWKGLXRE-VIFPVBQESA-N 212.289 2.478 0 40 BEAB C[C@@H]1CCc2sc3ncnc(NN)c3c2C1 536167 VSNDFZKLFUBIQD-ZCFIWIBFSA-N 234.328 2.102 0 40 BEAB CCCS(=O)(=O)CCC(=O)c1ccccc1 1563762 OMIZSKBMWVZVNS-UHFFFAOYSA-N 240.324 2.084 0 40 BEAB CCOC(=O)CN[C@H](C)c1ccc(F)cc1 1574712 KHYVVTLQUHPYMC-SECBINFHSA-N 225.263 2.039 0 40 BEAB CC(=O)Nc1cc(C(C)=O)ccc1C(C)=O 1593972 GFMQPDXRTIZHCY-UHFFFAOYSA-N 219.240 2.050 0 40 BEAB CCC(O)(CC)[C@@H](C(=O)O)c1ccccc1 2046326 HJEDWYXIJNWHJL-LLVKDONJSA-N 222.284 2.406 0 40 BEAB C[C@H]1CCc2sc3ncn4ncnc4c3c2C1 2239498 OLGDKHOCGGSFNT-ZETCQYMHSA-N 244.323 2.464 0 40 BEAB O=C(O)CSc1ccc2c(c1)CCC2 4205988 RUVTVWNOODRTNI-UHFFFAOYSA-N 208.282 2.352 0 40 BEAB in-vitro Clc1snnc1CN1CCCCC1 5184988 BKTRFKWDXVDIRJ-UHFFFAOYSA-N 217.725 2.177 0 40 BEAB CC[C@H](O)[C@@H]1Sc2ccccc2N1C 5499956 ZQAWGMGAQOXRPM-ONGXEEELSA-N 209.314 2.326 0 40 BEAB CC(=O)NCCC(=O)Nc1c(C)cc(C)cc1C 7777360 PHWJPKOMLRGRKK-UHFFFAOYSA-N 248.326 2.077 0 40 BEAB Cc1ccc([C@@H](CC(=O)O)NC(=O)C2CC2)cc1 13181423 SLUWGEODRZLBBZ-GFCCVEGCSA-N 247.294 2.037 0 40 BEAB CC1=NN(c2ccccc2)C(=O)C12CC2 16607537 VEIVLSBFAUCIQL-UHFFFAOYSA-N 200.241 2.189 0 40 BEAB N=C(N)c1ccc(CN2CCCCCC2)cc1 19508861 PZFCNQKCDMELOI-UHFFFAOYSA-N 231.343 2.347 0 40 BEAB O=C(O)c1cnc(C2CC2)nc1C(F)(F)F 20286657 IEKVPQHXHPSCCJ-UHFFFAOYSA-N 232.161 2.071 0 40 BEAB CC(C)c1ccc(C(=O)NCCN(C)C)cc1 20550235 VPERVGDRFGDDIO-UHFFFAOYSA-N 234.343 2.101 0 40 BEAB COc1cccc([C@H]2C[C@@H]2[C@@H](C)N)c1OC 20594439 NRMIRCUHNDPXEF-FBIMIBRVSA-N 221.300 2.155 0 40 BEAB COc1ccccc1-c1c(C)noc1N 20636193 ZIEXEMRYCHULIK-UHFFFAOYSA-N 204.229 2.241 0 40 BEAB CCn1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 28575761 CULIBIWFRVFQBQ-PHIMTYICSA-N 235.331 2.021 0 40 BEAB C[C@@H](Cn1cccn1)NCCCc1ccccc1 35272245 LENIYDOYZXIUBH-AWEZNQCLSA-N 243.354 2.494 0 40 BEAB COc1cccc(C(=O)Nc2nccc(C)n2)c1 35655080 XAYPZGZNMCPAMI-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB Cc1ccc(C)c(C(=O)N(C)C2CCNCC2)c1 36283125 JNPBHWCUOFFFNR-UHFFFAOYSA-N 246.354 2.127 0 40 BEAB COc1ccc2cc([C@](C)(O)C(=O)O)ccc2c1 38255616 TZSHABFTBBOGRG-AWEZNQCLSA-N 246.262 2.141 0 40 BEAB CCn1c(C)cc(=O)c2cccc(F)c21 40164106 PIVVVCZZBCLALN-UHFFFAOYSA-N 205.232 2.469 0 40 BEAB CCCOc1ccc(OC[C@@H]2CCNC2)cc1 42773075 PRGMDVLYAQNRSW-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB O=C(NCc1cscn1)N1CCCCCC1 51749246 ATRBUZUUXHMXQL-UHFFFAOYSA-N 239.344 2.229 0 40 BEAB O[C@H](c1cc2ccccc2o1)[C@@H]1CCCNC1 58041510 ZGCFKLXAAGUOFV-RISCZKNCSA-N 231.295 2.466 0 40 BEAB COc1cccc(-c2cnc(O)c(C(=O)O)c2)c1 59734691 LVIODFSOXQDSBB-UHFFFAOYSA-N 245.234 2.161 0 40 BEAB CNc1ncccc1[C@@H]1CCCCN1C 72212550 HMFOOENVYROYNF-NSHDSACASA-N 205.305 2.280 0 40 BEAB CC(C)(C)c1cc(C2(C(=O)O)CCC2)no1 72220595 LYAWVHFEIUKKGX-UHFFFAOYSA-N 223.272 2.478 0 40 BEAB O=C(O)c1c(Cl)cnn1-c1ccccc1 72238894 ODNLKBXUEQMROZ-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB c1cncc(CN2CCC[C@H]2c2cc[nH]n2)c1 72381589 DUENQEHXHAPZAA-ZDUSSCGKSA-N 228.299 2.142 0 40 BEAB CC(C)Oc1ccc2nc3n(c(=O)c2c1)CCC3 79193237 YGXAFCBTEFPUKT-UHFFFAOYSA-N 244.294 2.130 0 40 BEAB biogenic OCCN(Cc1nccc2ccccc12)C1CC1 79422047 CIUWSGOUHARPMA-UHFFFAOYSA-N 242.322 2.192 0 40 BEAB CCN1Cc2ccccc2[C@@H](n2cccn2)C1 89977377 WPFILPZHKJFVAI-AWEZNQCLSA-N 227.311 2.308 0 40 BEAB NCCCSC(F)(F)C(F)(F)F 91252551 PSSBUSNORVDKCN-UHFFFAOYSA-N 209.183 2.224 0 40 BEAB C[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H](C)S1 95403638 RWPJHEBNVIFJPX-NXEZZACHSA-N 225.357 2.305 0 40 BEAB COC[C@@H](Cc1ccccc1)NC1CCOCC1 95420564 PLBFCRULAZGUBN-OAHLLOKOSA-N 249.354 2.013 0 40 BEAB CCCc1csc(CCN2CCOC2=O)n1 96415074 OEDQCFPHBANRMH-UHFFFAOYSA-N 240.328 2.090 0 40 BEAB Fc1ccc(COC2CC3(CNC3)C2)cc1F 96509076 SHOBMCZRQPJEIO-UHFFFAOYSA-N 239.265 2.233 0 40 BEAB COc1cccc([C@H]2OC(=N)C(O)=C2O)c1 104239689 FNWSVBFALOWODN-SNVBAGLBSA-N 221.212 2.071 0 40 BEAB O=Cc1ccnc(OCc2ccccc2)c1 145837211 OXQKQUWLKHTCQN-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB in-vitro CCOc1cccc([C@@H](C)NCCOC)c1 152117775 CXFPHOLETWYXAA-LLVKDONJSA-N 223.316 2.382 0 40 BEAB Cc1cc([C@@H]2CNC(=O)C2)ccc1Cl 199779667 SZPUGSDFQFLELE-VIFPVBQESA-N 209.676 2.252 0 40 BEAB COC(=O)[C@H](C)SCCN1CCC[C@H](C)C1 215592670 DGIBNBGMRYYOJE-QWRGUYRKSA-N 245.388 2.013 0 40 BEAB Cc1cc(C)cc(NC(=O)N/C=C/C(=O)O)c1 222695290 XSNFOOOQRQZWGC-ONEGZZNKSA-N 234.255 2.023 0 40 BEAB N[C@H](c1cnc2c(c1)CCCC2)C1CC1 242718348 XKSOMGULYBKXJJ-ZDUSSCGKSA-N 202.301 2.370 0 40 BEAB Cc1cnc(C)c(N2C[C@H]3CCC[C@H]3C2)n1 273826239 FAINGOIDUHVQMU-TXEJJXNPSA-N 217.316 2.330 0 40 BEAB CC(=O)OCC(=O)c1ccc(C)c(Cl)c1 382680675 AUCXOIFBDIJJNO-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB O=C(Nc1nnc(-c2ccco2)s1)C1CC1 418028 CAHYAQGKGGCAIR-UHFFFAOYSA-N 235.268 2.147 0 40 BEAB OCC[C@H](c1ccccc1)[C@H]1CCCCN1 1720359 ORLHWXNQUUVXDC-ZIAGYGMSSA-N 219.328 2.295 0 40 BEAB O=C(Nc1nc[nH]n1)Nc1ccccc1Cl 3172689 AFLAHFZMZDMUBZ-UHFFFAOYSA-N 237.650 2.102 0 40 BEAB COc1cc(CC(=O)O)ccc1OC(C)C 4227507 TWZIQDJXVGSPSD-UHFFFAOYSA-N 224.256 2.110 0 40 BEAB in-vitro COc1cc2c(cc1O)C(=O)CCCC2 5699698 CRQHIMPMQOYBPR-UHFFFAOYSA-N 206.241 2.310 0 40 BEAB COCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 6509577 WBZVXUVAJOUIMM-UHFFFAOYSA-N 246.310 2.161 0 40 BEAB Nc1nnc(-c2cccc(F)c2F)s1 8727121 JFVQKKCZMNZCJJ-UHFFFAOYSA-N 213.212 2.066 0 40 BEAB CCc1ccc(Cc2nnc(N)s2)cc1 9286982 FDQOLQCLWVIWCI-UHFFFAOYSA-N 219.313 2.274 0 40 BEAB CNC(=O)CCCc1nc2ccccc2s1 9313659 DUHNCFYKDKFTJG-UHFFFAOYSA-N 234.324 2.365 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1 12853797 HVQWPFLCLMMRFW-LLVKDONJSA-N 243.310 2.401 0 40 BEAB O=C(O)Cn1c(-c2ccco2)nc2ccccc21 14611354 YGKVEBIWOASSTL-UHFFFAOYSA-N 242.234 2.381 0 40 BEAB Nc1ccc(NC(=O)c2ccco2)c(F)c1 20157284 FDTQUJPYSOELGI-UHFFFAOYSA-N 220.203 2.253 0 40 BEAB COc1cccc(CNc2cn(C)nc2C)c1 20350358 NDWBOXYXTKEENY-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CCn1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 28575834 VKBKDFUTXUHBSD-PHIMTYICSA-N 249.358 2.330 0 40 BEAB COc1cc2c(cc1OC)C(C)(C)NCC2 34569635 QHPXXJIHNXEFAD-UHFFFAOYSA-N 221.300 2.085 0 40 BEAB CCc1ccc(-c2nsc(N)n2)cc1 37117102 ASWZZRDTZLKUDP-UHFFFAOYSA-N 205.286 2.350 0 40 BEAB COc1cccc(C2(C(=O)O)CCC(=O)CC2)c1 39214151 RNNDAVYQVQZDFE-UHFFFAOYSA-N 248.278 2.161 0 40 BEAB CC(C)OCCCNC(=O)[C@H]1CC=CCC1 40473371 UHCPPPNWMJNRIS-LBPRGKRZSA-N 225.332 2.274 0 40 BEAB CCOC(=O)c1cc(F)cc(F)c1OC 43503483 TVGOYMZWGSWCAI-UHFFFAOYSA-N 216.183 2.150 0 40 BEAB NCC1CCN(Cc2c(F)cccc2F)CC1 44511906 SQAZVVNHHAXSKK-UHFFFAOYSA-N 240.297 2.136 0 40 BEAB Cc1ccc(CN2CCCC[C@@H]2CN)s1 44539820 ORCMBXHNCCIXRO-LLVKDONJSA-N 224.373 2.370 0 40 BEAB Nc1c[nH]c2nc(C(F)(F)F)ccc12 44713303 PXYUCSOMDCBISO-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB in-vitro C[C@@H](SCc1cccc(Cl)c1)C(N)=O 45089801 JZBUBJUTXSFLDR-SSDOTTSWSA-N 229.732 2.447 0 40 BEAB O=C(NCCCn1cccc1)c1cccs1 49028533 VPRFUKZZMBGDTG-UHFFFAOYSA-N 234.324 2.370 0 40 BEAB COc1ccc(CN(C)C(=O)C2CC2)cc1OC 49930997 ABUZXYAKNIPWNB-UHFFFAOYSA-N 249.310 2.072 0 40 BEAB COC[C@@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 53195955 FEWADIVOGIYACD-SECBINFHSA-N 246.314 2.227 0 40 BEAB CN1CC[C@H](N)[C@@H]1c1ccc(Cl)c(F)c1 69799074 SWUYIEMZURPOKG-QWRGUYRKSA-N 228.698 2.183 0 40 BEAB in-vitro OCCc1ccc(NCc2ccccc2)nc1 72225360 LCUGHFRWFHNTHF-UHFFFAOYSA-N 228.295 2.229 0 40 BEAB C[C@H](c1cccc(O)c1)N(C)Cc1cncn1C 72312091 RIMXANFWIVLGDY-LLVKDONJSA-N 245.326 2.319 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cncc(Cl)n1 72344256 ZPPLJNZKJNTQBJ-JTQLQIEISA-N 239.706 2.204 0 40 BEAB Cc1c[nH]nc1[C@@H]1CN(C2CCCCC2)CCO1 72381192 YUBJCCKNWSOKGD-ZDUSSCGKSA-N 249.358 2.424 0 40 BEAB O=C(Nc1ccccc1)N[C@H]1CCC[C@@H](O)C1 75156800 WDNXBNRDYJIYLR-NWDGAFQWSA-N 234.299 2.112 0 40 BEAB Cc1sc(=O)n(CCOC(C)(C)C)c1C 78904289 UFIKNWZNNUEUMZ-UHFFFAOYSA-N 229.345 2.342 0 40 BEAB COC(=O)c1cc(-c2ccc(F)c(F)c2)on1 83140059 HGBZNALSVLYSLB-UHFFFAOYSA-N 239.177 2.406 0 40 BEAB Cc1ccc([C@H]2N=C(O)[C@H]3CCCCN32)nc1 95966447 NEZLRIUTSISDMU-NEPJUHHUSA-N 231.299 2.213 0 40 BEAB O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@H]1COC2 101466759 NXMWHRRFOFGVPF-HXUSNMGPSA-N 243.306 2.090 0 40 BEAB CN(CCC1CCOCC1)[C@@H]1CCCC[C@H]1O 110695235 OJOYQPFWTQYPDQ-ZIAGYGMSSA-N 241.375 2.038 0 40 BEAB OCc1ccc2c(c1)Nc1nccnc1S2 139192898 RBJUIMQXEMELGC-UHFFFAOYSA-N 231.280 2.177 0 40 BEAB c1cnc(SCCCN2CCCCC2)cn1 195576224 KQADQTSRZKUBJN-UHFFFAOYSA-N 237.372 2.445 0 40 BEAB CCOC(=O)C(F)(F)c1ccc(Cl)cn1 199817279 OWBJAYNOEOGWTJ-UHFFFAOYSA-N 235.617 2.390 0 40 BEAB C[C@]12CCCN[C@@H]1CCCN2Cc1cccnc1 205675686 QQJVIXAXIPNHQK-CABCVRRESA-N 245.370 2.188 0 40 BEAB CCOCSc1nnc(OC(C)C)s1 225583595 DEHGPMAIFFXTST-UHFFFAOYSA-N 234.346 2.411 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@@H](C)C[C@@H]21 225760221 TWTPKDUTNOWMNE-ZDCRXTMVSA-N 212.289 2.143 0 40 BEAB COc1nn(C)cc1NCc1cccc(F)c1 256052551 NUEKGTZODZOALL-UHFFFAOYSA-N 235.262 2.180 0 40 BEAB COC(=O)c1ccc2sc(=O)sc2c1 261209132 OPLHWGCQPGOQES-UHFFFAOYSA-N 226.278 2.110 0 40 BEAB O=C(NC[C@]1(O)C=CCCC1)Nc1ccccc1 585146626 LSJZBIYZZZIXGH-AWEZNQCLSA-N 246.310 2.279 0 40 BEAB CC[C@@H](C)N1CCC[C@H](COc2ncccn2)C1 1849204551 XXJIFBNHHCLLBU-OLZOCXBDSA-N 249.358 2.366 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1[C@H]2CC[C@@H]1C[C@H](N)C2 1857522579 ZCLHRPOKTQSBAR-FAUIJHMISA-N 225.332 2.092 0 40 BEAB CS(=O)(=O)c1cccc(C(F)F)c1 1857793689 LWBPVGXABVWADY-UHFFFAOYSA-N 206.213 2.028 0 40 BEAB O=CN[C@H]1CCCc2c1[nH]c1ccccc21 173765 VQXQVNSYZQRVQB-LBPRGKRZSA-N 214.268 2.291 0 40 BEAB COc1cc2c(cc1OC)[C@@H](C)N(C)CC2 338388 HRSIPKSSEVRSPG-SECBINFHSA-N 221.300 2.253 0 40 BEAB biogenic O=C1[C@H]2CCC[C@@H]1C[C@H]1CCCC[C@@]21O 518240 PDLKQXJZJXLNBA-UZWSLXQKSA-N 208.301 2.297 0 40 BEAB CCCCCCNc1ncnc2c1cnn2C 1562374 WBDGAMWXUFRMSY-UHFFFAOYSA-N 233.319 2.356 0 40 BEAB Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 1568410 XUZIJAZCGHGONC-HNNXBMFYSA-N 238.290 2.031 0 40 BEAB COc1cc(C)c(CN(C)C)c(OC)c1 1586608 DVUDUXDSNSSIIU-UHFFFAOYSA-N 209.289 2.074 0 40 BEAB CCCCCC[C@H]1OC[C@@H](COC(C)=O)O1 1672405 QNPVAETYSCEUQX-NEPJUHHUSA-N 230.304 2.261 0 40 BEAB Cc1cc(Cl)ccc1N1CCNCC1 2168810 MXEFOSLEAQWWDM-UHFFFAOYSA-N 210.708 2.058 0 40 BEAB C[C@H]1CCC[C@@H](C)N1Cn1ncn(C)c1=S 3276955 TXDUKDIGBMQASO-AOOOYVTPSA-N 240.376 2.171 0 40 BEAB Cc1cc(-c2csc(N)n2)c(C)n1C 3445984 HYEVYINJVDHXMC-UHFFFAOYSA-N 207.302 2.348 0 40 BEAB aggregator,in-vitro CCOC(=O)CC(=O)Nc1ccccc1CC 4739064 OPUBZTNGWQPDBL-UHFFFAOYSA-N 235.283 2.141 0 40 BEAB N=C1SCC(=O)N1c1ccc(Cl)cc1 5022730 KSXRWOHGBSJBRM-UHFFFAOYSA-N 226.688 2.355 0 40 BEAB COc1ccc(OCC(=O)NC2CCCC2)cc1 5513835 CVJWCDGMCVUMOH-UHFFFAOYSA-N 249.310 2.133 0 40 BEAB O=c1cnc2ccccc2n1Cc1ccccc1 8241174 XSIQIJZHBWPBDQ-UHFFFAOYSA-N 236.274 2.445 0 40 BEAB COc1cc(C=O)ccc1N1CCCCC1 8702378 SKIFLWVPNGXYTN-UHFFFAOYSA-N 219.284 2.498 0 40 BEAB Cc1c(N)cccc1C(=O)N1CCCCC1 8703641 GEBQWZUAEORMMQ-UHFFFAOYSA-N 218.300 2.203 0 40 BEAB CCOc1cc(Cl)c(CO)cc1OC 8727968 VZZOTYNXKUZCNH-UHFFFAOYSA-N 216.664 2.240 0 40 BEAB C[C@@H](N)c1nc2ccccc2n1C(F)F 9738317 IIYRQEHOCIXDBN-ZCFIWIBFSA-N 211.215 2.451 0 40 BEAB in-vitro Cc1cccc(C[C@H](O)c2ccc(C=O)cc2)n1 13222414 FDRZXZLLXDEEJC-HNNXBMFYSA-N 241.290 2.479 0 40 BEAB Cc1cc(NC(=O)c2n[nH]c3ccccc23)no1 16490433 RDHMVMADDGKZBL-UHFFFAOYSA-N 242.238 2.112 0 40 BEAB CNCCCn1ccnc1-c1ccccc1 16941540 VYTVEEJZDJBLNE-UHFFFAOYSA-N 215.300 2.160 0 40 BEAB CC[C@H](C)NCC(=O)Nc1ccc(F)cc1 20036551 YKGJOZHXOWPOFN-VIFPVBQESA-N 224.279 2.152 0 40 BEAB Cc1nnc2ccc(NC3CCCCC3)nn12 20721766 LITOZMKWDAYRBL-UHFFFAOYSA-N 231.303 2.177 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCC[C@@H](C)C1 22538666 KXYNBVINDFDWQW-MNOVXSKESA-N 213.321 2.060 0 40 BEAB CCn1nccc1CNC(=O)c1sccc1C 28219511 ANKKUTGFGFFFAT-UHFFFAOYSA-N 249.339 2.203 0 40 BEAB Cc1nn(C)c2c(NC3CCCCC3)ncnc12 32649601 JZNCDGJMKICPLG-UHFFFAOYSA-N 245.330 2.416 0 40 BEAB CCOC(=O)c1cc(-c2ccccc2)[nH]c1N 33426593 LRPAKNYVOAOQGG-UHFFFAOYSA-N 230.267 2.441 0 40 BEAB CC(C)(C)OC(=O)CCCCCCN 37729889 IIALHJIMGXLAJI-UHFFFAOYSA-N 201.310 2.237 0 40 BEAB in-vitro CC(=O)OC/C=C(\C)CC/C=C(\C)CO 38673391 HZIJXISIZGWHAY-NXAIOARDSA-N 212.289 2.215 0 40 BEAB CCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 41172148 BOKMRUDUFAXMOI-LBPRGKRZSA-N 237.274 2.136 0 40 BEAB COc1ccc(Br)cc1CCCN 41289885 ROECSVKOGWRTDZ-UHFFFAOYSA-N 244.132 2.349 0 40 BEAB CC(C)OC(=O)c1ccc(N)cc1Cl 41580736 BMIVTCLLDDCNOU-UHFFFAOYSA-N 213.664 2.487 0 40 BEAB in-vitro Cc1cc(C(=O)Nc2ccccc2N(C)C)[nH]n1 54762195 FHPPEVPYVFUEIR-UHFFFAOYSA-N 244.298 2.036 0 40 BEAB CC[C@@H](C)NC(=O)CCc1ccccc1O 58156453 BNJBRDNALPVPKW-SNVBAGLBSA-N 221.300 2.240 0 40 BEAB C[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 59681459 HYTHUSLXQOXIBJ-NXEZZACHSA-N 229.320 2.157 0 40 BEAB in-vitro C[C@@H](O)[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 62714034 PLBQRFXDNOQHNE-GGZOMVNGSA-N 204.269 2.106 0 40 BEAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc[nH]1 67858886 VBZGPUQHIIQSRV-YPMHNXCESA-N 226.279 2.301 0 40 BEAB NCC[C@H]1CCCN(C2CCCCC2)C1 69626485 KAVWBYRANWAVMU-GFCCVEGCSA-N 210.365 2.380 0 40 BEAB Cc1[nH]c(=S)ccc1[C@H]1CCCN1C=O 72218368 SJCZUIJRQSSCLT-SNVBAGLBSA-N 222.313 2.346 0 40 BEAB CNc1ncc([C@@H](N)c2ccccc2)cc1C 72222028 SODZQLXOGCIWCJ-ZDUSSCGKSA-N 227.311 2.480 0 40 BEAB Cc1cc(CCO)cnc1NC(C)(C)C 72222941 DSKCPAOHRIQOQM-UHFFFAOYSA-N 208.305 2.135 0 40 BEAB c1cn(Cc2ccc(-n3ccnc3)cc2)cn1 73276355 YCHCGNVDQSCYMS-UHFFFAOYSA-N 224.267 2.117 0 40 BEAB COC(=O)c1ccoc1CS[C@@H](C)[C@H](C)O 79065024 UBRCEEUCLGYNAI-YUMQZZPRSA-N 244.312 2.069 0 40 BEAB Cc1cc([C@H](O)CNC(C)(C)C)ccc1O 83308755 GELQRPHSNNCPNQ-GFCCVEGCSA-N 223.316 2.122 0 40 BEAB in-vitro COC(C)(C)c1noc(-c2ccc(C)nc2)n1 85237212 MPBSIPFJPBQQGZ-UHFFFAOYSA-N 233.271 2.322 0 40 BEAB CCCC[C@H](CC)COC[C@H](O)CN(C)C 85391996 GZNYCROFCICNNW-QWHCGFSZSA-N 231.380 2.142 0 40 BEAB OCc1cc(F)c(OCC(F)(F)F)c(F)c1 86894942 MXROXCDUZHDLCH-UHFFFAOYSA-N 242.143 2.398 0 40 BEAB Cc1cccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)n1 89688901 PUWURADQWLBNBL-BETUJISGSA-N 242.322 2.428 0 40 BEAB CCO[C@@H]1CCN(C2CCCC2)[C@H]2CCO[C@@H]21 96220280 QBVMIQYUARESTI-MJBXVCDLSA-N 239.359 2.197 0 40 BEAB CSCC[C@@H](C)NC(=O)c1cccnc1C 96412319 GAHOZMSNQFMORH-SECBINFHSA-N 238.356 2.261 0 40 BEAB CCc1cc(C(=O)Nc2c(C)cccc2O)[nH]n1 97233771 UUXRDZZZJGLVEG-UHFFFAOYSA-N 245.282 2.238 0 40 BEAB C[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 97235822 RXOBDRVVAUZKKE-GHMZBOCLSA-N 249.358 2.488 0 40 BEAB Nc1c(F)cccc1N[C@H]1CC[C@H](O)CC1 100810016 YGGCUGHUBXACHN-DTORHVGOSA-N 224.279 2.123 0 40 BEAB NC(=O)Nc1cc(F)ccc1Br 136436545 YUXRONLQVVDAIQ-UHFFFAOYSA-N 233.040 2.079 0 40 BEAB Cc1ccc2ncc(CNc3ncccn3)n2c1 187918324 MLRGMDNXYQCEJS-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB Cc1c(C(N)=O)c2ccccc2n1C(=O)C(C)C 216949238 FAWWZQUWNQSOQQ-UHFFFAOYSA-N 244.294 2.345 0 40 BEAB COc1ccccc1N1CCN[C@@H]2CCC[C@H]21 218844100 MRRFDVJNTZLNCG-VXGBXAGGSA-N 232.327 2.026 0 40 BEAB CC(=O)c1ccc(-c2ccncc2)nc1O 253536081 HDSLVOJVHBIWKI-UHFFFAOYSA-N 214.224 2.052 0 40 BEAB c1cnn(C2CCN(Cc3ccncc3)CC2)c1 362919097 XHBMUHVDXSUPFS-UHFFFAOYSA-N 242.326 2.115 0 40 BEAB COc1cc2sc(=N)[nH]c2cc1OC(F)F 408715137 CJXNBYGXLXDRND-UHFFFAOYSA-N 246.238 2.319 0 40 BEAB Cc1cnc(NC2CCCCC2)nc1O 408980259 QDUHVCAHYXJYFE-UHFFFAOYSA-N 207.277 2.235 0 40 BEAB CCn1cnc2c(C)cc(Cl)cc2c1=O 1888854645 LQLXWDFEAJDMKH-UHFFFAOYSA-N 222.675 2.378 0 40 BEAB CCN(CC)c1ccc(NC(=O)COC)cc1 363242 KRAYTYGPPHISLH-UHFFFAOYSA-N 236.315 2.118 0 40 BEAB CC(C)n1cc(NC(=O)c2ccco2)cn1 1428558 OJSJNECAEKOIJO-UHFFFAOYSA-N 219.244 2.309 0 40 BEAB CCCCCC[C@H]1OC[C@H](COC)O1 1602682 NTOFFMMZFVBZAY-QWRGUYRKSA-N 202.294 2.345 0 40 BEAB CCOC(=O)c1ccc(C(=O)C2CC2)cc1 2514271 XSMZWMTZXKUJKE-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB COc1ccc(CC(=O)n2nc(C)cc2C)cc1 3194889 UJGSEJYKEBJYHJ-UHFFFAOYSA-N 244.294 2.391 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1 3382578 SATTYGCLXDRHGG-NSHDSACASA-N 205.257 2.113 0 40 BEAB CC[C@H](C[C@@]1(C)OCC[C@H](C)O1)C(=O)O 4705647 QXQGMCHPWQCEBV-NGZCFLSTSA-N 216.277 2.029 0 40 BEAB CSc1nnc(-c2ccccc2F)n1C 8428327 UJWIBWHLVITCSR-UHFFFAOYSA-N 223.276 2.343 0 40 BEAB CCCCN1C(=O)c2ccccc2[C@@H]1NC(C)=O 9434471 GGTUHFQHBYNASC-CYBMUJFWSA-N 246.310 2.077 0 40 BEAB COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1 16230376 RDWZVHFFXXDROT-ZYHUDNBSSA-N 248.326 2.399 0 40 BEAB COc1cccc([C@@H](C(=O)O)N2CCCCC2)c1 16718824 VMXXUGIFXZDINA-ZDUSSCGKSA-N 249.310 2.307 0 40 BEAB CCCCS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 16971659 PXEQYQVGWPQRRD-QWRGUYRKSA-N 233.377 2.094 0 40 BEAB Cc1nc(N2CCCCC2)sc1C(=O)O 20156568 OMKAKBOYDMVBTO-UHFFFAOYSA-N 226.301 2.140 0 40 BEAB O=C(O)[C@@H]1CCN[C@@H]1c1ccc(Cl)cc1 22204788 YTJTWNRDSJORDF-NXEZZACHSA-N 225.675 2.075 0 40 BEAB CN(C)c1ncnc2c1ncn2C1CCCCC1 26944226 LYZLYCYXPOOKPK-UHFFFAOYSA-N 245.330 2.398 0 40 BEAB O=C(c1ccccc1)c1cnc2n1CCCC2 27526842 NPKHXSRGOYHRDP-UHFFFAOYSA-N 226.279 2.450 0 40 BEAB CC(=O)C[C@H]1NCCc2c1[nH]c1ccccc21 31456437 GMCSAFFOGUXWON-CYBMUJFWSA-N 228.295 2.334 0 40 BEAB O=C(NC1CC1)C1(c2ccccc2)CCC1 32892724 CXAFFBWWMPCORQ-UHFFFAOYSA-N 215.296 2.387 0 40 BEAB CCOC(=O)Cc1nc(C(F)(F)F)cs1 35739953 CURBFAAXYYCLQH-UHFFFAOYSA-N 239.218 2.268 0 40 BEAB in-vitro CON(C)C(=O)c1cc(Cl)nc(Cl)c1 37975927 SHPBNJWZTJOZQQ-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB CCOCCNCc1cccc(C)c1C 42243858 BWNUQMNADUMENJ-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB Clc1ccc(COC2CNC2)c(Cl)c1 42769779 AMEWSFLQLUMBRG-UHFFFAOYSA-N 232.110 2.482 0 40 BEAB Cc1noc(C2CN(Cc3ccsc3)C2)n1 49482523 AWIDPUJIMZDBAN-UHFFFAOYSA-N 235.312 2.039 0 40 BEAB CCS(=O)(=O)NCc1c(C)cc(C)cc1C 49516220 XPQPZCZBQHBQLJ-UHFFFAOYSA-N 241.356 2.051 0 40 BEAB NC(=O)c1ccc(-c2cccc(F)c2)o1 49813005 HVUMTDUVKSHFTQ-UHFFFAOYSA-N 205.188 2.185 0 40 BEAB O=C(O)c1c(Cl)nc(Cl)nc1Cl 59032878 WYOSARQXNFQQIG-UHFFFAOYSA-N 227.434 2.135 0 40 BEAB in-vitro CCOc1ccc([C@@H](CN)OCC)cc1 62711877 WQJCMZJLUSLXDF-GFCCVEGCSA-N 209.289 2.122 0 40 BEAB Cc1ccn(Cc2cccc(F)c2)c(=O)c1 70039812 HVBPQZCEQAGQKN-UHFFFAOYSA-N 217.243 2.344 0 40 BEAB CCOC(=O)c1cccc2c(C=O)c[nH]c12 72319799 XUTDEDCNVFAAEQ-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB c1ccc(CN(C[C@@H]2CCNC2)C2CC2)cc1 79437988 LXGNUKBPISEFSE-CQSZACIVSA-N 230.355 2.261 0 40 BEAB Cc1c[n+]([O-])c(C)c(C)c1Br 82048817 XJTFVTIYKKOOCN-UHFFFAOYSA-N 216.078 2.008 0 40 BEAB CCOc1cc(Br)cnc1F 90413229 AYBWPHNAVKZKTF-UHFFFAOYSA-N 220.041 2.382 0 40 BEAB O=C(O)c1ccc([C@H]2CCCOC2)cc1 95347502 JYPYCJJRDTYMQO-NSHDSACASA-N 206.241 2.279 0 40 BEAB in-vitro CCC(=O)NC(C)(C)CN(C)Cc1ccccc1 95436472 PGZXYDKAINWLTN-UHFFFAOYSA-N 248.370 2.423 0 40 BEAB O=C(O)[C@H]1CCCCN1c1ccccc1 95830106 MNJZHPAZVGUHNU-LLVKDONJSA-N 205.257 2.130 0 40 BEAB CCN(C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 95953872 ASXUAVSTQOGXBM-UHFFFAOYSA-N 233.271 2.070 0 40 BEAB C[C@@H]1OCC[C@@H]1Sc1ncc(Cl)cn1 95973772 BFUGTWSLJOARCO-XPUUQOCRSA-N 230.720 2.400 0 40 BEAB C[C@H]1CC[C@H]1COc1ncccc1C(=O)O 96526363 VJBNKAQYQMCIFQ-IUCAKERBSA-N 221.256 2.205 0 40 BEAB CCC(=O)N(C)c1ncccc1Br 97086493 KNOWVBVJLZOBMH-UHFFFAOYSA-N 243.104 2.217 0 40 BEAB C[C@@H]1CN(Cc2cncs2)C(C)(C)CO1 97139472 YUCVMCRUUJAJJV-SECBINFHSA-N 226.345 2.142 0 40 BEAB Cn1ncc(Cl)c1/C=C/c1ccncn1 122711264 UIIMFXWSDQAWKX-NSCUHMNNSA-N 220.663 2.034 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@@H](O)C1 191046613 FOLWJPWTGNESSN-XQQFMLRXSA-N 209.333 2.045 0 40 BEAB Cc1ccnc(Cl)c1C(=O)N1CCCC1 217731465 RLVSSHLZZSATKT-UHFFFAOYSA-N 224.691 2.279 0 40 BEAB O=C1NC(=O)[C@@H](Cc2ccccc2Cl)S1 218823413 XVCYNLJGTGQREY-MRVPVSSYSA-N 241.699 2.234 0 40 BEAB C[C@@H]1C[C@@H]2[C@@H](N)C[C@H](C(F)(F)F)C[C@H]2O1 225763179 DXOFCJWXXLMFIJ-QKCLAQEOSA-N 223.238 2.080 0 40 BEAB C[C@@H]1CNCC[C@]1(O)Cc1cccc(Cl)c1 229562574 WBIRVXSEODWUTC-MFKMUULPSA-N 239.746 2.243 0 40 BEAB C[C@@H]1CN(CC2(F)CC2)CCN1c1ccncc1 895556527 JLEYLLFXSNPRCH-GFCCVEGCSA-N 249.333 2.094 0 40 BEAB O[C@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2 185896 KEVUJQHBGRUWPR-RNJOBUHISA-N 209.333 2.022 0 40 BEAB O=S(=O)(O)c1ccc2cccc3c2c1CC3 1758839 SONPAJLACPWVKT-UHFFFAOYSA-N 234.276 2.185 0 40 BEAB CCCOC(=O)Nc1ccccc1C(=O)O 1800715 OCCJPYHQVGODNS-UHFFFAOYSA-N 223.228 2.343 0 40 BEAB Cc1ccc(C(=O)NC(=S)NC(C)C)cc1 2136292 RNSDUCJCHWELKR-UHFFFAOYSA-N 236.340 2.008 0 40 BEAB CCN(CC)Cc1cccc(C(=O)OC)c1 4691872 SBJZGERXYGXOPQ-UHFFFAOYSA-N 221.300 2.315 0 40 BEAB O=C(O)c1ccccc1N[C@@H]1CCCC[C@H]1O 5331495 YBFCLGHUUYYDDI-VXGBXAGGSA-N 235.283 2.100 0 40 BEAB COc1ccc(-c2nnc(S)o2)c(OC)c1 5938887 BUKUWWLSVVGEAD-UHFFFAOYSA-N 238.268 2.043 0 40 BEAB CCOC(=O)c1ccc(CSCCO)cc1 6956289 IHQRPKZDTMTFSN-UHFFFAOYSA-N 240.324 2.089 0 40 BEAB c1cc2cc(CNC[C@H]3CCCO3)ccc2[nH]1 15424190 LWRYQDACORKGRQ-CYBMUJFWSA-N 230.311 2.437 0 40 BEAB NCCCc1nc(-c2ccc(Cl)cc2)no1 20268722 PZOFCOJECBEALR-UHFFFAOYSA-N 237.690 2.281 0 40 BEAB c1ccc(CN2C[C@H]3CCC[C@@H](C2)NC3)cc1 20286456 JDYIDFQYKVUYEK-GJZGRUSLSA-N 230.355 2.261 0 40 BEAB in-vitro Cc1nsc(NC(=O)c2ccccc2F)n1 27664583 NAKUHDIBSXSBQJ-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB CCC[C@H](O)P(=O)(OCC)OCC 32150331 QGNCNQNIDOVSQB-MRVPVSSYSA-N 210.210 2.371 0 40 BEAB COC(=O)c1c(C)cccc1NC(=O)C1CC1 32848547 LPTVXORNDIJEHO-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB O=C(O)CCc1nc(C2CCCCC2)no1 34972776 FKSRKVGJPNEZAD-UHFFFAOYSA-N 224.260 2.135 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 38339168 KMFYGBAATKYLCU-MNOVXSKESA-N 208.232 2.492 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)CC[C@H]21 38764917 FAFPNFIAMGOSNB-GXSJLCMTSA-N 239.315 2.365 0 40 BEAB in-vitro Cc1ccc(Oc2nc(C(=O)O)co2)cc1 39321130 DJNYTMWHGDTWRX-UHFFFAOYSA-N 219.196 2.474 0 40 BEAB COC(=O)N1CCO[C@@H](c2ccc(C)cc2)C1 41171304 PKPTZONXYFGRPD-GFCCVEGCSA-N 235.283 2.135 0 40 BEAB CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2C)s1 42047904 PKHAWROBGLPYHN-JGVFFNPUSA-N 239.344 2.331 0 40 BEAB c1ccc(-c2noc(CN3CCCC3)n2)cc1 48368204 JRHSEZRMZBDOHR-UHFFFAOYSA-N 229.283 2.332 0 40 BEAB CC(C)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 52851965 VIXNVCQVNWNIMN-CQSZACIVSA-N 246.354 2.158 0 40 BEAB C[C@H](CC(=O)N1CCNC[C@@H]1C)CC(C)(C)C 54369980 PGEYFXAHUPHRHL-NEPJUHHUSA-N 240.391 2.269 0 40 BEAB Fc1cccnc1NC[C@H]1CCCOC1 54700681 JTIBRXZUSMPHIS-SECBINFHSA-N 210.252 2.059 0 40 BEAB COc1ccc(OC)c(CC(C)(C)O)c1 57496250 WKAHBKKPMRIVNR-UHFFFAOYSA-N 210.273 2.017 0 40 BEAB CCCCNC(=O)/C=C/c1ccccn1 60868684 DPUMFAWKMVEKHK-BQYQJAHWSA-N 204.273 2.011 0 40 BEAB CCO[C@H]1C[C@@H](NC(=O)c2ccco2)C1(C)C 71915437 QYDBPKWSDRVGTN-MNOVXSKESA-N 237.299 2.213 0 40 BEAB COc1cc(C)c([C@H](N)c2ccccc2)cn1 72222987 XMPBQHFJIOGBLF-CQSZACIVSA-N 228.295 2.447 0 40 BEAB CC(=O)C1(C(=O)c2ccc(F)cc2)CC1 77299353 NBXGUEMNLHILLS-UHFFFAOYSA-N 206.216 2.378 0 40 BEAB Cc1ccc(F)c(NCc2cncn2C)c1 85167993 DJBIFWRDYSSEID-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB COc1ccc2nc(CCCCC(=O)O)[nH]c2c1 86568269 KYONARHQYUZHGL-UHFFFAOYSA-N 248.282 2.369 0 40 BEAB CCCN1CC[C@H](CNc2ncccc2F)C1 91457269 PTSPUSTVDHZEEP-LLVKDONJSA-N 237.322 2.365 0 40 BEAB O=c1ccccn1CCCCNc1ccccn1 91462601 QRFMCEQDVUFVPF-UHFFFAOYSA-N 243.310 2.136 0 40 BEAB CC[C@@H](N)COc1ccc(C(F)(F)F)cn1 95094793 APYDUEDMZBEOBF-MRVPVSSYSA-N 234.221 2.217 0 40 BEAB NC[C@@H](c1c(F)cccc1F)N1CCCCC1 95098741 WGHRSCWLDDGEMA-LBPRGKRZSA-N 240.297 2.451 0 40 BEAB C[C@@H](OC(=O)[C@H]1CCCCN1C)c1cccnc1 95962716 HUKXNULISVPKPZ-DGCLKSJQSA-N 248.326 2.170 0 40 BEAB C[C@@H]1CCCC[C@@]1(CN)NC(=O)OC(C)(C)C 96102470 QNJPTRDSPLWFQA-MFKMUULPSA-N 242.363 2.419 0 40 BEAB O=C(O)c1[nH]nc(OC2CCCC2)c1Cl 96509289 IHRNXUNUSQQWAV-UHFFFAOYSA-N 230.651 2.083 0 40 BEAB NCC1([C@@H](O)c2ccc(Cl)cc2)CC1 96527063 XLLGHOOVKPOUPF-JTQLQIEISA-N 211.692 2.112 0 40 BEAB CCC(=O)/N=c1/sc2cc(C)ccc2n1C 100812016 JSEDGKOVEOJWQN-OUKQBFOZSA-N 234.324 2.386 0 40 BEAB Cc1ncncc1-c1nnc(-c2ccco2)o1 216614703 FBJAVLHGEBFMMS-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CCOc1ccccc1N[C@@H]1CCC[C@H]1N 218878871 BQLSHFWMMQZGTA-GHMZBOCLSA-N 220.316 2.377 0 40 BEAB C[C@@H]1O[C@@H]2CCC[C@H](CC(=O)O)[C@@H]2[C@H]1C 242554698 MTYHLPGWADWHSZ-YOQJGNTNSA-N 212.289 2.301 0 40 BEAB Nc1ccccc1OC[C@H](F)C(F)F 256053887 UARBSKGIINEVEN-LURJTMIESA-N 205.179 2.251 0 40 BEAB COC(=O)CCCC(=O)c1cccc(F)c1F 259733594 OWJYGHPQCQZVKR-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CCC(=O)NCCCN1c2ccccc2C[C@H]1C 260796042 RDPCCSHGJJUCRM-GFCCVEGCSA-N 246.354 2.354 0 40 BEAB Clc1cnc(N2C[C@@H]3CCC[C@H]3C2)nc1 336474699 PKKNDDKUXLHLLU-IUCAKERBSA-N 223.707 2.366 0 40 BEAB CC[C@@H](C)n1cc(Cl)c(C(=O)OC)n1 408715742 DCAHCLHEHYLNCY-ZCFIWIBFSA-N 216.668 2.294 0 40 BEAB C1CCN2CCC[C@@H](CNCC3CC3)[C@H]2C1 524731976 RKELDYSPHUYTON-UONOGXRCSA-N 222.376 2.251 0 40 BEAB biogenic CCOCC(=O)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257557 XTZHTUTWMASHAV-STQMWFEESA-N 235.327 2.267 0 40 BEAB COC(OC)c1cc(Br)ccc1N 1083812470 GHBKLBRCHFTNQP-UHFFFAOYSA-N 246.104 2.323 0 40 BEAB CSc1cc(Br)cc(C(N)=O)c1 1888853187 PAQCRFSUCGYTTA-UHFFFAOYSA-N 246.129 2.270 0 40 BEAB COc1ccc(C(=O)Cc2nnc(C)s2)cc1 386688 RUCQMBXXOONDJN-UHFFFAOYSA-N 248.307 2.281 0 40 BEAB CCC(CC)(NC(=O)c1ccccc1)C(=O)O 1602528 PCERNPAYEXRWNC-UHFFFAOYSA-N 235.283 2.060 0 40 BEAB COc1cc(NCCCCN)c2ncccc2c1 1646656 JVMFTXBPCRUPLQ-UHFFFAOYSA-N 245.326 2.394 0 40 BEAB CCCOC(=O)COc1ccc(OC)cc1 1677843 MMBLAASUCHPOQN-UHFFFAOYSA-N 224.256 2.027 0 40 BEAB CCC[C@@H](C)C(C(=O)OCC)C(=O)OCC 1712481 RQFSNEWORATSCC-SECBINFHSA-N 230.304 2.165 0 40 BEAB in-vitro OCCNC1c2ccccc2-c2ccccc21 1754732 HYLVMNWMJQOJTA-UHFFFAOYSA-N 225.291 2.338 0 40 BEAB NCc1nc2ccccc2n1-c1ccccc1 2599353 FZSNBLWTDSFDAW-UHFFFAOYSA-N 223.279 2.484 0 40 BEAB Cc1nc2ccc(NC(=O)C(F)(F)F)cc2[nH]1 5490244 TWJTYJSTUNWJHC-UHFFFAOYSA-N 243.188 2.372 0 40 BEAB CCNc1cc2c3c(c1)CCN3CCC2 5501942 ZDNPTUQWPMWJGE-UHFFFAOYSA-N 202.301 2.427 0 40 BEAB C[C@@H]1CN(c2c(N)cccc2Cl)C[C@@H](C)N1 8702461 QCAINOAXOOQETG-RKDXNWHRSA-N 239.750 2.109 0 40 BEAB Cc1ccc(/N=c2\scc(C)n2CCO)cc1 10187285 YKZQZNUCOXDYOR-YPKPFQOOSA-N 248.351 2.391 0 40 BEAB Nc1ccc(N2CCc3ccccc3C2)nc1 11568744 OTNDMNJNGWSWHX-UHFFFAOYSA-N 225.295 2.227 0 40 BEAB Cc1ccc(NC(=O)c2csnn2)cc1C 11914751 XNOSUPGWEAGBIJ-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CCc1cccc2cc(CNC3CC3)c(=O)[nH]c12 13566697 NRYCDZCJUHABBD-UHFFFAOYSA-N 242.322 2.343 0 40 BEAB in-vitro C[C@H]1CN(CC(=O)c2cccs2)C[C@H](C)O1 25264913 FBZPIFAWZWCJQW-UWVGGRQHSA-N 239.340 2.040 0 40 BEAB Cc1ccccc1-c1cc(C(=O)O)no1 26420307 WYRHIMMIRUNJQP-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro C[C@@H](NC(=O)CCc1ccco1)c1ccncc1 27407859 BTXYYCHKTDKJFC-LLVKDONJSA-N 244.294 2.485 0 40 BEAB Cc1cc(CN(C)C(=O)NC2CCCC2)no1 31054696 ZBBRDCSISNQCCC-UHFFFAOYSA-N 237.303 2.067 0 40 BEAB Cc1ccccc1CN(CC(=O)O)C1CC1 32013396 OYJVYSQGLLMCJH-UHFFFAOYSA-N 219.284 2.044 0 40 BEAB O=C(NC[C@@H]1CCCO1)c1ccc2cc[nH]c2c1 32478316 WCAFAPVWSSJYFY-LBPRGKRZSA-N 244.294 2.077 0 40 BEAB NC(=S)Nc1ccc(-c2nccs2)cc1 32625263 YIIYVKHPENRRFF-UHFFFAOYSA-N 235.337 2.466 0 40 BEAB CCONC(=O)c1cccc(-n2cccc2)c1 32848349 BZBJNOSHYZZFFU-UHFFFAOYSA-N 230.267 2.159 0 40 BEAB CN(C(=O)Nc1cnsn1)c1ccccc1 33736954 ILFQRMYJHYBNNE-UHFFFAOYSA-N 234.284 2.206 0 40 BEAB CNC(=O)c1ccc(NCc2ccncc2)cc1 35045968 RPRZSWZVHPQGKY-UHFFFAOYSA-N 241.294 2.053 0 40 BEAB Cn1c(C(=O)NCc2ccco2)cc2occc21 40287686 FKBXIYUOFRLBGA-UHFFFAOYSA-N 244.250 2.294 0 40 BEAB Nc1ccc(-c2ccc3c(c2)OCCO3)cn1 41249687 LLVKFHHKYFSZAL-UHFFFAOYSA-N 228.251 2.102 0 40 BEAB COc1cccc(C(=O)c2cccc(OC)n2)c1 45028714 VDSHDCZSVBGYJT-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB COC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1 45293894 QRMVFOILEPGQIU-IDVQTMNDSA-N 233.311 2.159 0 40 BEAB OCC1CCN(Cc2cccc(F)c2F)CC1 46090543 HUKPNCFBZPPZET-UHFFFAOYSA-N 241.281 2.169 0 40 BEAB O=c1[nH]cc(C(F)(F)F)cc1-c1cccnc1 47213815 WYZFEDDESWMESG-UHFFFAOYSA-N 240.184 2.456 0 40 BEAB O=Cc1c(-c2ccccn2)nc2sccn12 51951698 HQEJRIFSGSSUOR-UHFFFAOYSA-N 229.264 2.270 0 40 BEAB CCOC(=O)[C@H]1CC[C@@H](c2ccccc2)N1 51971697 BJOUEZQMVVKCPC-NWDGAFQWSA-N 219.284 2.043 0 40 BEAB CCc1ccc(CNCCCN(C)C)cc1 57322207 LNSUYARIFJKYCF-UHFFFAOYSA-N 220.360 2.290 0 40 BEAB C1CCCN(CCc2n[nH]c(C3CC3)n2)CC1 62719485 SHXVCNDSOMSRLF-UHFFFAOYSA-N 234.347 2.101 0 40 BEAB CCN(Cc1ncccc1C(=O)O)C(C)C 65421218 FYVQIVVOZQJJKQ-UHFFFAOYSA-N 222.288 2.010 0 40 BEAB O=C(NC1CC1)N1CC[C@H](Nc2ccccc2)C1 65515420 PPYXRVNBFQLNFF-ZDUSSCGKSA-N 245.326 2.045 0 40 BEAB Cn1c(-c2cccc(O)c2)[n+](C)c2ccccc21 71255260 XRNGNUGVYWYPBI-UHFFFAOYSA-O 239.298 2.375 0 40 BEAB CO[C@@H](c1ccccc1)[C@H]1CCCNC1 72207901 IMQNCYAFHAKTKT-STQMWFEESA-N 205.301 2.374 0 40 BEAB CNc1cccc([C@H]2CCCN2C(=O)C(C)C)n1 72361254 WNOGXEZKJHSODU-GFCCVEGCSA-N 247.342 2.443 0 40 BEAB Cc1nc2cc(NC(=O)C3CC3)ccc2n1C 74985639 NRVUPBOBVDSGHW-UHFFFAOYSA-N 229.283 2.230 0 40 BEAB CC(C)N(C(=O)c1ccoc1)C1CCOCC1 78182278 HSPOPYVKVADFGO-UHFFFAOYSA-N 237.299 2.309 0 40 BEAB CCN(CCC(F)(F)F)C(=O)N[C@@H]1C[C@@H]1C 78441173 DHDRLWQEOCDJCH-JGVFFNPUSA-N 238.253 2.379 0 40 BEAB Cc1nsc(N2CC[C@H](C)C[C@@H]2C)n1 81003606 GQAQDOWIHABMJE-YUMQZZPRSA-N 211.334 2.471 0 40 BEAB O=C([C@@H]1CCCOC1)N1CCc2ccccc21 82321791 UTEDWBQONWOKIN-GFCCVEGCSA-N 231.295 2.002 0 40 BEAB O=C(CC1CCCC1)NC[C@H](O)c1ccoc1 85471620 VIRINGMZVNXPPA-LBPRGKRZSA-N 237.299 2.010 0 40 BEAB Nc1cnn(-c2ccccc2)c1C(F)F 85634246 BCAPILVWAGARFV-UHFFFAOYSA-N 209.199 2.392 0 40 BEAB O=C(c1cccnc1)N1C[C@H]2CC=CC[C@H]2C1 89793921 MEVOERMGEUBWFW-BETUJISGSA-N 228.295 2.120 0 40 BEAB COc1ccc2c(C(=O)O)c(F)cnc2c1 90548444 XDQSXMJUQQGSGQ-UHFFFAOYSA-N 221.187 2.081 0 40 BEAB Cc1cc(C(=O)O)nn1-c1c(F)cccc1F 96034526 UHYQXGQALYJYRL-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB CSCCOC(=O)c1ncoc1C(C)C 96443029 CZSDOPMWMBPXRS-UHFFFAOYSA-N 229.301 2.318 0 40 BEAB CCCCN(CCCC)C(=O)/C=C\C(=O)O 101226104 OZMRKDKXIMXNRP-FPLPWBNLSA-N 227.304 2.056 0 40 BEAB CCOc1ncc(NC(=O)C(F)(F)F)cc1C 225878678 QTHRLQFHZGSMPF-UHFFFAOYSA-N 248.204 2.290 0 40 BEAB CC(C)Oc1ccnc2c(Cl)ncnc12 242390153 ABDFNVJRDXNQOK-UHFFFAOYSA-N 223.663 2.465 0 40 BEAB C[C@H](O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 242575009 NOLYNJCKOXZVCZ-XDTLVQLUSA-N 205.301 2.237 0 40 BEAB Cc1cc(CNc2ccnn2C(C)C)n(C)n1 256051035 HLXSBMSYVZKEAW-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2)n1 257264652 LVLFIALBBHLRND-SNVBAGLBSA-N 244.298 2.173 0 40 BEAB FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCO1 307306553 YCQAUYAEALGKGN-NSHDSACASA-N 245.244 2.450 0 40 BEAB COc1ccc(Cl)c(C(=O)COC(C)=O)c1 309524803 ZHFBGIPQMXQTQL-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CN(Cc1ccco1)C(=O)C1CC(F)(F)C1 335837332 AFYFLEUIJYDNTJ-UHFFFAOYSA-N 229.226 2.283 0 40 BEAB c1ccc2c(O[C@H]3CCOC3)nccc2c1 585652522 OZRUDBRSHQOWTO-NSHDSACASA-N 215.252 2.403 0 40 BEAB COCOc1ccc(C(=O)O)c(Cl)c1 1083800000 NZROQFOVFDEYBH-UHFFFAOYSA-N 216.620 2.021 0 40 BEAB Cc1cnc(N2CC(C(F)(F)F)C2)s1 2298041231 TYHAGNUYJNFBCS-UHFFFAOYSA-N 222.235 2.450 0 40 BEAB CC(=O)Oc1ccc(C(=O)NC2CCCC2)cc1 30052 CPEWONPRIWXIQK-UHFFFAOYSA-N 247.294 2.284 0 40 BEAB O=C1NCC1(c1ccccc1)c1ccccc1 501274 GGDFKZZHBPIWRA-UHFFFAOYSA-N 223.275 2.103 0 40 BEAB Nc1cc(Nc2ccccc2Cl)nc(N)n1 1675994 FGFXCYAACOEYFP-UHFFFAOYSA-N 235.678 2.038 0 40 BEAB Cc1ccc(Nc2cc(N)ncn2)cc1 1685636 MTQLDBNSDIKUKO-UHFFFAOYSA-N 200.245 2.111 0 40 BEAB COc1ccc(-c2csc(NN)n2)cc1C 4293975 WCBZHQKUYZKSOM-UHFFFAOYSA-N 235.312 2.413 0 40 BEAB CC(=O)N1CCc2[nH]c3ccccc3c2C1 4410642 AHJHXLBVCPEERJ-UHFFFAOYSA-N 214.268 2.073 0 40 BEAB biogenic O=C(O)CC[C@@H]1C[C@@H]1C(=O)c1ccccc1 5051923 BOBBSLDQCITZCL-MNOVXSKESA-N 218.252 2.370 0 40 BEAB CC[C@H](C)NCC(=O)Nc1cccc(C)c1 5505659 XRHQVVUGMMWYGW-NSHDSACASA-N 220.316 2.322 0 40 BEAB CCOc1ccc(C)cc1-c1cc(N)[nH]n1 5525832 NJSGSKMZTQIOEJ-UHFFFAOYSA-N 217.272 2.366 0 40 BEAB COc1ccc(/C=C2\N=C(C)OC2=O)cc1 5722774 NRQHBNNTBIDSRK-XFFZJAGNSA-N 217.224 2.011 0 40 BEAB c1cnc(SCc2cn3ccsc3n2)nc1 12523635 OVBZIYNXQXTPNC-UHFFFAOYSA-N 248.336 2.478 0 40 BEAB Cc1ccc(NC(=O)n2ccnc2)cc1 16293129 YRANLZRITBCDDC-UHFFFAOYSA-N 201.229 2.272 0 40 BEAB CC(C)CCNC(=O)c1ccccc1N 19262726 ODHDVQYWVBFZBO-UHFFFAOYSA-N 206.289 2.045 0 40 BEAB Nc1ccc(F)c(NC(=O)c2ccccn2)c1 21967776 XAPKKSOAIVFLEV-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)c2ccncc2)o1 23305496 RCPDFSXBYKFRBF-SNVBAGLBSA-N 230.267 2.474 0 40 BEAB COc1cc(F)ccc1NC(=O)C1CC1 25309695 ZKOPQSPKDDTQHN-UHFFFAOYSA-N 209.220 2.183 0 40 BEAB CCc1nn(C)c(N)c1-c1ccc(OC)cc1 26511747 VPBFXICLKKFMBW-UHFFFAOYSA-N 231.299 2.240 0 40 BEAB C[C@H](NC(=O)Nc1ccccc1)c1cnn(C)c1 27918976 HOPXLFBICRDWFI-JTQLQIEISA-N 244.298 2.303 0 40 BEAB Cc1ccc(C)c(C(=O)NCC2CC2)c1 32909797 RWXWUNUOJDSSNQ-UHFFFAOYSA-N 203.285 2.443 0 40 BEAB C[C@@H](Nc1ccc(C(=O)O)nn1)c1ccccc1 37526990 UVVMQMRCUYYALX-SECBINFHSA-N 243.266 2.348 0 40 BEAB CC(C)C(=O)N1CCC(NCC(C)(C)C)CC1 41120773 JYGWPTZGNLDOAR-UHFFFAOYSA-N 240.391 2.269 0 40 BEAB CS(=O)(=O)Oc1cc(Cl)ccc1Cl 41125097 SMXAVPMOCKEXMJ-UHFFFAOYSA-N 241.095 2.332 0 40 BEAB CC(C)C[C@@H](NCCc1ccccc1)C(=O)O 43431789 SNOWOOKUBDBOKX-CYBMUJFWSA-N 235.327 2.318 0 40 BEAB c1ccc2oc(NC[C@H]3CCCNC3)nc2c1 44503039 GGIWPNVKEBVTOF-JTQLQIEISA-N 231.299 2.239 0 40 BEAB Cc1ncsc1C(=O)N[C@H](C)c1ccncc1 44939238 RYYBIJXHSFMXNA-MRVPVSSYSA-N 247.323 2.338 0 40 BEAB C[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 46125186 LSPJAKHEBSBMQL-NWDGAFQWSA-N 225.332 2.347 0 40 BEAB COC(=O)CCN1CCC[C@H]1c1cccs1 53399546 JPRSHRHMVWQQQF-JTQLQIEISA-N 239.340 2.448 0 40 BEAB O[C@@H](c1cc2ccccc2o1)[C@H]1CCCNC1 58041516 ZGCFKLXAAGUOFV-SMDDNHRTSA-N 231.295 2.466 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2cc(F)cc(C)c21 64874787 RDTYNDXBOATSLE-UHFFFAOYSA-N 249.241 2.167 0 40 BEAB COc1ccncc1NC(=O)CC(C)(C)C 65587318 LELMTMWJQSOYGG-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB C[C@](CO)(c1ccccc1)N1CCCCC1 70453381 LKDMKORGKIBSQL-AWEZNQCLSA-N 219.328 2.380 0 40 BEAB COC(=O)[C@@H](CN1CCCC1)c1ccccc1 70453735 BKNASUWNTMRJRJ-ZDUSSCGKSA-N 233.311 2.039 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1cc[nH]n1 72350827 JEYCLTPQDSKGBC-DGCLKSJQSA-N 245.326 2.430 0 40 BEAB Cc1nn(C)c(Cl)c1CNCc1ccco1 73870587 PJTBYJQFKZWHRV-UHFFFAOYSA-N 239.706 2.265 0 40 BEAB CN[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79437032 QMXDBAIQSFJAPO-UWVGGRQHSA-N 228.336 2.042 0 40 BEAB CC(C)(C)CNC(=O)Cc1ccccc1 82281809 JKDNWMQHMJDTTF-UHFFFAOYSA-N 205.301 2.391 0 40 BEAB CO[C@H](C(=O)O)c1ccccc1C(F)(F)F 87493455 VXDPCJPQYLKGFL-QMMMGPOBSA-N 234.173 2.478 0 40 BEAB CCc1ccc([C@@H](CN)N2CCCC2)cc1 95098736 QCGLRNJIKPUVEA-CQSZACIVSA-N 218.344 2.345 0 40 BEAB in-vitro CC1CCC(CNC[C@H](C)[S@](C)=O)CC1 95449365 MIINEVSPNZNRLW-NMADNCOTSA-N 231.405 2.169 0 40 BEAB C[C@@H](CSCCC(N)=O)c1ccccc1 95993986 GPAXREWHQRPJTE-JTQLQIEISA-N 223.341 2.399 0 40 BEAB O=C(O)c1cnc2c(Cl)c(F)ccc2c1O 101030501 HUZCTSBOXDUEAG-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB CCC(=O)CC(=O)OCc1ccccc1 138788683 ZRIZDTNKLLTMDO-UHFFFAOYSA-N 206.241 2.099 0 40 BEAB COc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 225642231 KPMDRPXZBVWDFG-AWEZNQCLSA-N 249.310 2.449 0 40 BEAB COc1cc(F)c(C(=O)C(F)F)cc1F 389366557 HXTYSSOQFZWVAF-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB Cc1ncc(C)c(=NCC2CCSCC2)[nH]1 516861506 QVZZZKHLHRZRLX-UHFFFAOYSA-N 237.372 2.070 0 40 BEAB Cc1csc(OC[C@@H]2CCCCO2)n1 585652632 QNIUVRQKFBOSHC-VIFPVBQESA-N 213.302 2.399 0 40 BEAB CCc1nc(C)c(Cn2nnc3c2CCCC3)o1 664140637 GKSGBVUPZMYNCS-UHFFFAOYSA-N 246.314 2.064 0 40 BEAB Cn1cnc(-c2cc(F)ccc2Cl)n1 2362801299 CAONBVJIKUQIBV-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB Nc1cc(OCc2ccccc2)[nH]c(=S)n1 339379 SCIDMPLKIFFCIC-UHFFFAOYSA-N 233.296 2.300 0 40 BEAB Nc1ccc(C(=O)c2ccc(O)cc2)cc1 372865 ZLUJJCPTVKQVDE-UHFFFAOYSA-N 213.236 2.205 0 40 BEAB CCC(=O)c1cc(OC)c2c(c1)OCO2 487592 VQZAATPWXSLYBI-UHFFFAOYSA-N 208.213 2.017 0 40 BEAB biogenic,in-vitro O=c1oc2cc(Br)c(O)cc2s1 3164070 IVGCLQMIARPHTG-UHFFFAOYSA-N 247.069 2.323 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@H](C(C)C)CC[C@H]1C 3845739 QEDHJKYYYBPRDH-ADEWGFFLSA-N 226.316 2.437 0 40 BEAB COC1=CC(=O)O[C@@H]([C@H]2CC=CCC2)C1 4429982 CPFJREYMKODRII-GXSJLCMTSA-N 208.257 2.189 0 40 BEAB CCCCCCNC(=S)Nc1nncs1 5951106 NBMKOPAALKJIBS-UHFFFAOYSA-N 244.389 2.405 0 40 BEAB CNC(=O)c1cc2c(F)cccc2s1 7038930 GKJZTOZHMLFLTD-UHFFFAOYSA-N 209.245 2.400 0 40 BEAB COc1ccc(CC(=O)Nc2ccccn2)cc1 8631293 QXWSVLIICPTKMC-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB CC(=O)c1ccccc1NCC(=O)NC(C)(C)C 9218518 MCEJCCBPTCKCFI-UHFFFAOYSA-N 248.326 2.216 0 40 BEAB CC(C)CSc1nc2c(c(=O)[nH]1)CCCC2 9302669 PJQRZAOUYXNMAW-UHFFFAOYSA-N 238.356 2.397 0 40 BEAB COc1cc(C(=O)NC(C)C)ccc1C 13019594 PIZSUESDNDDJLQ-UHFFFAOYSA-N 207.273 2.142 0 40 BEAB O=C(O)[C@H](C[C@@H]1CCCCO1)C(F)(F)F 16159178 NNERFLUWPQXZJM-BQBZGAKWSA-N 226.194 2.209 0 40 BEAB Cc1ccsc1-c1nnc(S)n1C 16958073 RTCVITXDIDIAJZ-UHFFFAOYSA-N 211.315 2.141 0 40 BEAB O=C(O)CCn1c(C2CC2)nc2ccccc21 20223126 BTMHLWQENPVQMQ-UHFFFAOYSA-N 230.267 2.388 0 40 BEAB COc1ccccc1Nc1ncccc1N 20317726 JOIVDWPFYJWWBX-UHFFFAOYSA-N 215.256 2.416 0 40 BEAB CC(C)NC(=O)Cc1cnc(-n2cccc2)s1 20744788 OXFDEFLLESOZIX-UHFFFAOYSA-N 249.339 2.001 0 40 BEAB O=C(O)[C@@H](c1ccccn1)c1ccccc1F 32015991 CTVHHMUZSVAEIN-GFCCVEGCSA-N 231.226 2.437 0 40 BEAB COCCNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 32193285 AVYPWRJOVBGKBG-ACXIEZPESA-N 249.310 2.179 0 40 BEAB CCOC(=O)c1[nH]c2ccccc2c(=O)c1C 32501178 RJWLKJVVXOEFDR-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB O=C(O)c1c(Cl)sc(Cl)c1C(=O)O 34612007 LSXCETYLGAOEGW-UHFFFAOYSA-N 241.051 2.451 0 40 BEAB CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 35042083 JUNUKAWMCIFCGP-JXMROGBWSA-N 249.291 2.448 0 40 BEAB Clc1ccc(-n2cnc3ccccc32)nn1 37022337 QFNQBCMUMIHUBF-UHFFFAOYSA-N 230.658 2.469 0 40 BEAB CN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 37181005 GWDRVMZGPSUTQH-MRVPVSSYSA-N 234.082 2.339 0 40 BEAB biogenic,in-vitro COc1cccc([C@@H](C)NCc2cnn(C)c2)c1 37771564 FHVAZQWSKUFYTQ-LLVKDONJSA-N 245.326 2.280 0 40 BEAB CC1=CC[C@@H]([C@]2(C)CC(C(=O)O)=NO2)CC1 39402905 BVSRPFFUJYAQCM-SKDRFNHKSA-N 223.272 2.352 0 40 BEAB Cc1csc(S[C@@H]2C[C@@H](C)OC2=O)n1 40462986 WESVSHWUCCCNND-RNFRBKRXSA-N 229.326 2.248 0 40 BEAB COCC(=O)N(C)[C@H]1CCCc2ccccc21 40490109 JRMJYROEBJLIBU-ZDUSSCGKSA-N 233.311 2.169 0 40 BEAB CC(C)[C@H](C)NC(=O)CC[C@@H]1CCCO1 40506173 ACKJFZLEIUITEQ-QWRGUYRKSA-N 213.321 2.106 0 40 BEAB C[C@H]1CCCN(C(=O)C(C)(C)Br)C1 41720713 QQUWUQKZNJOZKK-QMMMGPOBSA-N 248.164 2.418 0 40 BEAB O=C(c1cc(F)c(F)c(F)c1)c1ncco1 43210585 MYHHJSMHPYBAKE-UHFFFAOYSA-N 227.141 2.323 0 40 BEAB CCONC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 48324727 PLDKEUMNXBDNMY-NXEZZACHSA-N 211.305 2.293 0 40 BEAB Cc1ccnc(NC(=S)NC(C)(C)C)c1 54924578 XQPDUVDBFLOKKJ-UHFFFAOYSA-N 223.345 2.475 0 40 BEAB O=C(NCc1ccncc1)NC[C@H]1CC=CCC1 60128057 DYUFTRGDDGJSFK-LBPRGKRZSA-N 245.326 2.237 0 40 BEAB COc1ccc(SCCN(C)C)cc1 69517159 DCJXFEYEIGLIQS-UHFFFAOYSA-N 211.330 2.349 0 40 BEAB C[C@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CCC(=O)O 72207285 KXIHOSNFVBVESP-DMWPJOQESA-N 212.289 2.038 0 40 BEAB CC(C)=CCNC[C@@H]1CCCN1c1cccnn1 72276730 FCSXADMPTFZLHG-ZDUSSCGKSA-N 246.358 2.001 0 40 BEAB c1cc(C[C@@H]2CCCNC2)nc(N2CCCC2)c1 72386382 NWUAIPNBUQTQEM-ZDUSSCGKSA-N 245.370 2.224 0 40 BEAB C[C@@H]1COc2cccc3cc(C(=O)O)n1c23 75627308 IZCUQQFCDPUGFW-SSDOTTSWSA-N 217.224 2.293 0 40 BEAB COc1ccc(C(=O)O)cc1-n1nc(C)cc1C 79124122 DUQZCVLLRKTZHB-UHFFFAOYSA-N 246.266 2.196 0 40 BEAB NCCCn1cc(-c2cccc(F)c2)cn1 85391453 ZGBCLRGPWYDHEL-UHFFFAOYSA-N 219.263 2.038 0 40 BEAB CC(C)C[C@@H](C)S(=O)(=O)N1CCCCC1 95397127 AXDFCNNPCMQDND-LLVKDONJSA-N 233.377 2.237 0 40 BEAB Cc1occc1S[C@H](C(N)=O)C(C)C 131405494 YFAYYNNPTKHDEQ-VIFPVBQESA-N 213.302 2.190 0 40 BEAB CC(=O)c1cc(O)c(F)c(Br)c1 216865159 LAJTYWPEHUBLPF-UHFFFAOYSA-N 233.036 2.496 0 40 BEAB Cc1nc(-c2cnc(Cl)nc2Cl)no1 218679886 GCRNCGDQVWABBV-UHFFFAOYSA-N 231.042 2.142 0 40 BEAB C[C@H](CCc1ccccc1)NC(=O)c1cnco1 224062644 JMGSYYWQUQBHTG-LLVKDONJSA-N 244.294 2.426 0 40 BEAB CCc1ccc(C=O)n1-c1nccs1 225302138 LJJQGUUTAXHLPK-UHFFFAOYSA-N 206.270 2.309 0 40 BEAB CCOC(=O)[C@@H](CC)n1ccc(C(F)F)n1 238856696 WWXRTJDFPPNBPX-MRVPVSSYSA-N 232.230 2.335 0 40 BEAB Cc1nccc(O[C@H]2CCCC[C@@H]2N(C)C)n1 585652121 KTZYWCIDGCUGCO-RYUDHWBXSA-N 235.331 2.037 0 40 BEAB CCn1c2c(c(C)cc1=O)C(=O)CC(C)(C)C2 339699 AYMFPCDOUSZSPF-UHFFFAOYSA-N 233.311 2.332 0 40 BEAB COc1ccccc1CNC(=O)c1ccncc1 355552 JAXXBRCOESJIPF-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB O=C(NC1CCCC1)c1ccccc1F 826234 XXTDTLJVPPESDM-UHFFFAOYSA-N 207.248 2.498 0 40 BEAB Cc1nn(C)cc1/C=C1/SC(=S)N=C1O 1018013 ULVTXBTWQJOCEQ-XVNBXDOJSA-N 239.325 2.058 0 40 BEAB CCOC(=O)[C@H](CC)[C@@H](O)c1ccccc1 1095281 MCJORAPHPVJYNZ-NEPJUHHUSA-N 222.284 2.309 0 40 BEAB in-vitro C[C@]1(c2ccccc2)OC[C@H](CCCCO)O1 1672094 LIJFPWAVKWEJMI-KBPBESRZSA-N 236.311 2.437 0 40 BEAB CN(C)NC(=S)Nc1ccccc1Cl 4670529 ABWVRVNCELZDQW-UHFFFAOYSA-N 229.736 2.103 0 40 BEAB CCc1ccccc1NC(=O)Cn1ccnc1 5634210 HRJAEHKBTOEPKN-UHFFFAOYSA-N 229.283 2.084 0 40 BEAB Cc1ccc(O)c(NC(=O)c2cc(C)no2)c1 6738039 ILHDGLYFFGKJQU-UHFFFAOYSA-N 232.239 2.249 0 40 BEAB CCOC(=O)c1cccc(-n2cccc2C=O)c1 8701946 CBYYAVNSFNOZPG-UHFFFAOYSA-N 243.262 2.467 0 40 BEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1C(=O)O 11920470 HXVGYHOHYUZYEG-UHFFFAOYSA-N 248.257 2.386 0 40 BEAB CC(C)c1cc(CSCC(=O)O)on1 12398774 BPXDGLLFGAXQKO-UHFFFAOYSA-N 215.274 2.116 0 40 BEAB CC(=O)C[C@H]1CCN(c2ccccc2)N1C(C)=O 18193442 XBFCILSNIACEGD-CQSZACIVSA-N 246.310 2.008 0 40 BEAB c1csc(-c2noc([C@@H]3CCCNC3)n2)c1 20000119 MKQUKQFTPMPZJE-MRVPVSSYSA-N 235.312 2.265 0 40 BEAB C[C@@H]1CCCCN1C(=O)Cc1ccccc1N 20155693 WLJVTUUWJLWODD-LLVKDONJSA-N 232.327 2.212 0 40 BEAB COc1nc2c(C)cccc2cc1C(=O)O 26440696 RWCDGEQCWIDKNG-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)CNC(C)(C)C 32738467 URTYOJAHVCKHCU-WDEREUQCSA-N 226.364 2.069 0 40 BEAB O=C(COc1cccc(Cl)c1)N1CCCC1 32942945 OHMISZROSJPRPS-UHFFFAOYSA-N 239.702 2.341 0 40 BEAB O=C(/C=C\c1ccccc1)OC[C@@H]1CCCO1 33564708 QCMSQCLNALBZOD-YXVBKTCISA-N 232.279 2.422 0 40 BEAB CCCc1cc(OC)c(C=O)cc1OC 37627835 OEBWIWFDNBJEHM-UHFFFAOYSA-N 208.257 2.469 0 40 BEAB CC(C)(C)c1ccc(CNCCCN)cc1 37713058 YEVVOUBRNUTMJL-UHFFFAOYSA-N 220.360 2.423 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@@H]1C 40489319 QFWDOPUHPPMIBJ-JTQLQIEISA-N 249.310 2.271 0 40 BEAB CC(C)CNC(=O)CCn1ncc2ccccc21 40757845 PXOYRHMPIJISDF-UHFFFAOYSA-N 245.326 2.199 0 40 BEAB CC[C@H](C)C[C@@H](CC)N[C@@H]1CCN(C)C1 42544786 YTZGWYJAGBGQIG-YNEHKIRRSA-N 212.381 2.495 0 40 BEAB NCCc1ccc(F)c(C(F)(F)F)c1 44248590 AZVSPCBSDCVZKX-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB CO[C@H](C)C(=O)NCCc1cccc(Cl)c1 55011110 FTPOGSGZBCDGFL-SECBINFHSA-N 241.718 2.034 0 40 BEAB Fc1ccccc1-c1nc([C@H]2CCCNC2)no1 62257533 ZFHFNSDFNOKROG-VIFPVBQESA-N 247.273 2.343 0 40 BEAB O=C(O)Cn1ccc2cc(Cl)ccc21 69627236 GIJZRQHQWCJJQO-UHFFFAOYSA-N 209.632 2.379 0 40 BEAB CCNc1ccc([C@@H]2CCCN2C(C)=O)cn1 72213067 QDMZQOKCAQKVKU-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CN1CCc2ccc(Br)cc2C1 74449394 GVQLORUTWOXJJD-UHFFFAOYSA-N 226.117 2.437 0 40 BEAB in-vitro O=Cc1cn(-c2ccc(Cl)cc2Cl)nn1 83255338 LCCOQKGOIDIVLG-UHFFFAOYSA-N 242.065 2.387 0 40 BEAB in-vitro COC(=O)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 84199434 VIIDTQNSMYMAIY-RKDXNWHRSA-N 212.289 2.191 0 40 BEAB O=Cc1cc(Br)c2cn[nH]c2c1 89196521 QSCOHIBTEKOLEX-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB Cc1cnc(C(=O)N2CC[C@@H]3CCCC[C@H]32)cn1 89702227 RAXNGXYFVSWNKJ-WCQYABFASA-N 245.326 2.190 0 40 BEAB COc1ccc(C(=O)O)cc1OC(F)(F)F 90548106 PHSHCIBRNMLSBJ-UHFFFAOYSA-N 236.145 2.292 0 40 BEAB CCCOc1cc(CCO)cc(F)c1F 95732017 UGWOVIGNTUNEOC-UHFFFAOYSA-N 216.227 2.288 0 40 BEAB CCCN1C[C@H](CN)Cc2ccccc21 96510386 UPRSUELZGIBYBT-NSHDSACASA-N 204.317 2.034 0 40 BEAB C[C@H](Nc1cnn(C)c1)c1cccc(CO)c1 97378990 LMRKSPGHLSSHDB-JTQLQIEISA-N 231.299 2.086 0 40 BEAB O=C(O)COc1ccccc1OC(F)(F)F 98210720 PJEUACPDEJYYST-UHFFFAOYSA-N 236.145 2.049 0 40 BEAB Clc1cccc(OCCn2ccnn2)c1 128033797 RYOXTYOXDCPIHR-UHFFFAOYSA-N 223.663 2.011 0 40 BEAB Cc1ccnc(Cl)c1C(=O)NCC(C)C 217731702 VWOMAKNUNDPHFD-UHFFFAOYSA-N 226.707 2.429 0 40 BEAB Cc1cc(C=O)c2cnn(C(C)(C)C)c2n1 225813867 OBURBVLOABUKBD-UHFFFAOYSA-N 217.272 2.307 0 40 BEAB Nc1ccc(CC(=O)O)c(Cl)c1Cl 228905969 IZEWEMYPKZNUSL-UHFFFAOYSA-N 220.055 2.203 0 40 BEAB COc1nc(C)ccc1I 238372328 KBYDHKCHALBCCZ-UHFFFAOYSA-N 249.051 2.003 0 40 BEAB COC(=O)CCCC(=O)c1ccccc1F 259833297 XVLBXKXEZHGCLZ-UHFFFAOYSA-N 224.231 2.352 0 40 BEAB CC1(C)CCN(c2ncc(Cl)cn2)C1 267046746 DOJDLWBNHFHYGZ-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB CC[C@@H](Nc1ncnc2ccc(C)cc12)C(=O)O 122956 PFDYUSVIMPBSPD-SNVBAGLBSA-N 245.282 2.213 0 40 BEAB CN(C)C(C)(C)CNc1ccc(C(=O)O)cc1 1727649 LPLILDGBMBWROY-UHFFFAOYSA-N 236.315 2.137 0 40 BEAB O=C(c1c[nH]c2ccccc12)C1CCNCC1 2037328 CKXVQPZQTVVCCB-UHFFFAOYSA-N 228.295 2.350 0 40 BEAB C[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1 3873971 IYOZTVGMEWJPKR-UNXYVOJBSA-N 247.342 2.174 0 40 BEAB in-vitro O=C(O)c1cc2cc(C(=O)O)sc2s1 4419523 ISQJBPFNAXXTCB-UHFFFAOYSA-N 228.250 2.359 0 40 BEAB Cc1cccc(NC(=S)N2CCOCC2)c1 6491037 QQOJOCACKLPXBG-UHFFFAOYSA-N 236.340 2.024 0 40 BEAB Cc1ccc(C(=S)NC[C@H]2CCCO2)cc1 9188255 XTXRDVBOTGGTRK-GFCCVEGCSA-N 235.352 2.439 0 40 BEAB NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 12906734 CGBVJMMBUJDLPH-UHFFFAOYSA-N 240.262 2.038 0 40 BEAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1 13319995 RJDRLSHRAYLXIA-GWCFXTLKSA-N 249.310 2.051 0 40 BEAB Cc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 13608599 BOVSVURLKFJOIB-AWEZNQCLSA-N 247.338 2.223 0 40 BEAB CCNC(=O)CCc1nc2ccccc2s1 14129637 ABWPTUUUOOVFQH-UHFFFAOYSA-N 234.324 2.365 0 40 BEAB Cc1ccc(C)c(OCC(=O)n2cccn2)c1 16971261 AUHBFAYAYACNBH-UHFFFAOYSA-N 230.267 2.219 0 40 BEAB N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 19260645 WMMPTAKSLQNVBD-WDEREUQCSA-N 244.260 2.008 0 40 BEAB Fc1ccccc1CN[C@H]1CN2CCC1CC2 19871980 CRULJLNEEKZLNG-AWEZNQCLSA-N 234.318 2.010 0 40 BEAB C[C@H](CN1CCCC1)NCc1ccccc1 22073590 STPNJXDWCNEGFA-CYBMUJFWSA-N 218.344 2.261 0 40 BEAB C[C@@H]1CN(CC(=O)c2cccs2)C[C@@H](C)O1 25264906 FBZPIFAWZWCJQW-NXEZZACHSA-N 239.340 2.040 0 40 BEAB CCn1nc(C)c(NC(=O)C(C)C)c1C 32647839 OHUFGTLPUBWLNW-UHFFFAOYSA-N 209.293 2.114 0 40 BEAB C[C@H](Sc1nnnn1C)c1ccccc1 32859663 HRDOTWBEEAWMFD-QMMMGPOBSA-N 220.301 2.063 0 40 BEAB CCNC(=O)c1cc(C)n(C(C)C)c1C 33026374 PQHCAUCKSWWLBN-UHFFFAOYSA-N 208.305 2.436 0 40 BEAB CCN[C@@H]1CCCN(Cc2ccccc2)C1 34963061 GPRPWGYOLRHPLE-CQSZACIVSA-N 218.344 2.261 0 40 BEAB CCCC(=O)NC[C@H](c1cccs1)N(C)C 36079472 ZOBLYMJVBQSECC-SNVBAGLBSA-N 240.372 2.267 0 40 BEAB Nc1ccc(SCCO)cc1C(F)(F)F 36335922 MBYABCIVROFMIM-UHFFFAOYSA-N 237.246 2.372 0 40 BEAB CCC(C)(C)C1CCC(NC(=O)CCN)CC1 37005707 VLWMVCIWFYVVGU-UHFFFAOYSA-N 240.391 2.446 0 40 BEAB CCc1n[nH]c(Cc2cccc(F)c2)n1 48630719 PVXAYWFTSFMWSL-UHFFFAOYSA-N 205.236 2.097 0 40 BEAB CCCc1[nH]ncc1C(=O)OCc1cc(C)no1 51611822 KCPABHXYMUNWOP-UHFFFAOYSA-N 249.270 2.016 0 40 BEAB COc1cc2c(N)ccnc2cc1Cl 64874601 ZYEVJGSPIISIEW-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB O=C([C@@H]1CCOC1)N1CCCCc2ccccc21 69353538 CWONVLMPDCNPJY-CYBMUJFWSA-N 245.322 2.392 0 40 BEAB CN(C)c1ccccc1NC(=O)NC1CC1 69418999 DHZMRQZSHRUODU-UHFFFAOYSA-N 219.288 2.037 0 40 BEAB Cc1ccccc1CN(CCCO)C1CC1 69951687 KZDVXFGKEJJIFN-UHFFFAOYSA-N 219.328 2.342 0 40 BEAB COC[C@@H](C)NC(=O)N(C)[C@@H](C)C(C)(C)C 71798662 VFIYYQPQQUKAOY-ZJUUUORDSA-N 230.352 2.097 0 40 BEAB c1nnc2n1C[C@@H](CNC1CCCCCC1)CC2 71877314 GETRVWGJIADPBQ-GFCCVEGCSA-N 248.374 2.153 0 40 BEAB Cn1cnnc1[C@H]1CCCN(C2CCCCC2)C1 72356840 MEQDLBPKFJVKHZ-LBPRGKRZSA-N 248.374 2.327 0 40 BEAB CCCCn1c(C=O)ccc1Cn1ccnc1 78404638 AGDGAZKRIQSEEG-UHFFFAOYSA-N 231.299 2.346 0 40 BEAB O=Cc1cc(Cl)c(Br)cn1 79048092 XXGOLPPVOQYOLK-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB CCCCS[C@H](C)C(=O)N[C@H](C)CCCO 79095206 YWEXSDCGVKLIMP-GHMZBOCLSA-N 247.404 2.185 0 40 BEAB CS(=O)(=O)N[C@H]1CCCCc2ccccc21 89486593 JZKIXXFUPOYTAJ-LBPRGKRZSA-N 239.340 2.003 0 40 BEAB O=C(c1cscn1)N1C[C@H]2CCCC[C@H]2C1 89764751 XBUZOZRFQBSRQR-AOOOYVTPSA-N 236.340 2.405 0 40 BEAB COc1ccc2c(c1)[C@](O)(c1cccnc1)CC2 92857529 OJVFKPMCIBBWMF-OAHLLOKOSA-N 241.290 2.272 0 40 BEAB CC(C)(C)C[C@H](O)CN[C@@H]1CCCSC1 95454554 SXCCVSNDJSAWEL-MNOVXSKESA-N 231.405 2.269 0 40 BEAB Cc1ccc([C@H](O)c2cccn2C)s1 95727693 HVBOLULSAHOMLH-LLVKDONJSA-N 207.298 2.477 0 40 BEAB NC[C@@H]1CCCCN1Cc1c(F)cccc1F 96319957 UAZRGPUASWFGAT-JTQLQIEISA-N 240.297 2.278 0 40 BEAB O=C(c1ccon1)N1CCC2(CCCC2)CC1 96414623 YTXDCTNLFWLYRL-UHFFFAOYSA-N 234.299 2.471 0 40 BEAB Cc1ccccc1CCN1CCCC[C@@H]1CN 96523604 KTCQBOGFTLESBB-OAHLLOKOSA-N 232.371 2.351 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1cccc(F)c1 96529856 RNQHMAAQVMREMW-BXKDBHETSA-N 209.264 2.265 0 40 BEAB CC(C)Cn1cc(N[C@H]2CCSC2)cn1 97038667 URUWLMPTBMWGJG-JTQLQIEISA-N 225.361 2.457 0 40 BEAB Cc1cc(NCc2cccc3cn[nH]c23)no1 97045244 AZLUXXNFXKHQEQ-UHFFFAOYSA-N 228.255 2.471 0 40 BEAB CC(C)(C)c1nc(NCc2ccncc2)no1 97102963 STXNYYXHDYHFIE-UHFFFAOYSA-N 232.287 2.374 0 40 BEAB CCC(C)(C)N(C)C(=O)c1cc(C(=O)O)co1 97115104 APDORERQQHAVQX-UHFFFAOYSA-N 239.271 2.238 0 40 BEAB CC(C)(C)OC(=O)C(=O)Cc1ccccc1 143021118 OEAZJVWLSMMPPH-UHFFFAOYSA-N 220.268 2.140 0 40 BEAB C[C@H]1C[C@H](C)c2ccc(OCC(=O)O)cc2N1 217613127 KBNHGSBSGMCWGC-IUCAKERBSA-N 235.283 2.458 0 40 BEAB COC(=O)c1cccc(OC(C)C)c1F 238404119 IKNYTIDTGAHUDO-UHFFFAOYSA-N 212.220 2.400 0 40 BEAB Clc1c(Br)ccc2[nH]nnc12 238558531 GGOXXPSZPVVKME-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB CO[C@H]1CCN(Cc2ccc(C)s2)C1 271184469 MTESPZZUJJKHDV-JTQLQIEISA-N 211.330 2.277 0 40 BEAB COC(=O)c1ccc(C(=O)CCSC)cc1 309278165 FXHKUOWHOQNRQR-UHFFFAOYSA-N 238.308 2.409 0 40 BEAB COCCOC(C(F)(F)F)C(F)(F)F 1083807995 PONHYHOAPDDBLR-UHFFFAOYSA-N 226.116 2.143 0 40 BEAB Nc1ccc(Oc2cc(N)ccc2O)c(F)c1 1857794264 QHWMYYWNUQEVAK-UHFFFAOYSA-N 234.230 2.488 0 40 BEAB Nc1ccccc1NC(=O)c1ccccc1O 166719 VARASSKKKPAGBF-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCO1 804566 VEXODVAYMNODGK-NSHDSACASA-N 219.284 2.421 0 40 BEAB Oc1cc(O)n(-c2ccccc2F)c(=S)n1 1237006 XJDRMJXBYCVHJX-UHFFFAOYSA-N 238.243 2.152 0 40 BEAB CCC[C@]1(C)OC[C@H](CCCCO)O1 1671369 BULLPQFXXZMYPP-WDEREUQCSA-N 202.294 2.081 0 40 BEAB O=C1OCCN1Cc1ccc(Cl)cc1 1672053 IIRDBLIIPJJVJB-UHFFFAOYSA-N 211.648 2.292 0 40 BEAB CCOC(=O)[C@H](CC(C)=O)c1ccccc1 1675699 MPTUXQOIIUTVGD-GFCCVEGCSA-N 220.268 2.312 0 40 BEAB O=Cc1ccc(-c2ccccc2C(=O)O)o1 2565559 IOKDFDKKAQANIA-UHFFFAOYSA-N 216.192 2.457 0 40 BEAB in-vitro Nc1cc2nsnc2cc1Br 2566853 CDEJXRZSAIZTRF-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB Cc1nnc(SCC(=O)c2ccc[nH]2)s1 3288021 LXJMQRORAGNRED-UHFFFAOYSA-N 239.325 2.150 0 40 BEAB O=C(/C=C/c1ccco1)O[C@H]1CCCCC1=O 3338976 CQOVNZAPAGORCD-GUOLPTJISA-N 234.251 2.348 0 40 BEAB O=C(O)[C@@H]1CCCC[C@@H]1NCc1ccccc1 8698816 JJPUFVPBTBJPNO-OLZOCXBDSA-N 233.311 2.420 0 40 BEAB O=Cc1cccc(-c2cncc(C(=O)O)c2)c1 16948070 LOXLHDCJOSUCHZ-UHFFFAOYSA-N 227.219 2.259 0 40 BEAB Cc1ccc(NC(=O)c2cccnn2)cc1 22073132 NGGBQOCIPJDLCK-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CC(C)[C@H](CN)N1CCc2ccccc2C1 22916134 RCCFGZZNNHSKTO-AWEZNQCLSA-N 218.344 2.028 0 40 BEAB in-vitro CNCCCc1cc(-c2ccc(F)cc2)[nH]n1 32625189 MFKRTYXINKLSOM-UHFFFAOYSA-N 233.290 2.368 0 40 BEAB in-vitro Cc1onc(C(=O)O)c1CN1CCCC[C@H]1C 34925036 ITJDMLJWFHXKLU-MRVPVSSYSA-N 238.287 2.056 0 40 BEAB CC(C)NCc1cnn(Cc2ccccc2)c1 35113570 JHDYTCCGPKKXCQ-UHFFFAOYSA-N 229.327 2.429 0 40 BEAB in-vitro NC(=O)Cc1ccc(NCc2ccccc2)cc1 37074865 HIACJXKUWGNYKE-UHFFFAOYSA-N 240.306 2.327 0 40 BEAB CCC[C@@H](O)Cc1ccc2c(c1)OCO2 37628115 VDWJJCCIJUYMRH-SNVBAGLBSA-N 208.257 2.119 0 40 BEAB O=c1cc(CSc2ccccn2)occ1O 38189931 ZCQJPBKAYLANJH-UHFFFAOYSA-N 235.264 2.033 0 40 BEAB CC(=O)Cn1c(C)cc(=O)c2cc(C)ccc21 40164130 RCBIPADSIPAYMN-UHFFFAOYSA-N 229.279 2.207 0 40 BEAB CC(C)[C@@H](N)c1nc(-c2ccccc2)n[nH]1 42013491 LDNJWITWIYNEGN-SNVBAGLBSA-N 216.288 2.128 0 40 BEAB COc1cc(OC)cc(C(=O)C(F)(F)F)c1 43463496 VUKIKFLHBUJBKW-UHFFFAOYSA-N 234.173 2.449 0 40 BEAB CCCN(C)Cc1ccc2c(c1)OCO2 47707035 DSXFIYXPOBYQMM-UHFFFAOYSA-N 207.273 2.257 0 40 BEAB COc1cccc(Nc2cc(N)nc(C)n2)c1 49467296 XCIUEHUSWJYGMF-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB Cc1nc([C@H](N)c2ccc(Cl)c(F)c2)no1 49808700 KNLSOPFXUOKYSV-SECBINFHSA-N 241.653 2.219 0 40 BEAB in-vitro Clc1nccc(Oc2cccnc2)n1 51849024 DSDNYLDKEHSYOL-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB Nc1ccc2c(c1)O[C@](F)(Cl)C(F)(F)O2 59565755 WOINQMFAPAESTP-ZETCQYMHSA-N 239.580 2.495 0 40 BEAB OC[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 62720289 MABXRCHMDRJYEJ-PSASIEDQSA-N 214.211 2.384 0 40 BEAB O=C1CCC[C@@H]2Cc3ccccc3C(=O)[C@@H]12 68568667 WZYCLCDDHBOWSL-ZWNOBZJWSA-N 214.264 2.411 0 40 BEAB CC(C)CNC(=O)[C@H](C)N1CCCCCC1 69454528 FZDLHAKSLPCLBS-LBPRGKRZSA-N 226.364 2.023 0 40 BEAB C[C@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CN 70176827 ADVQKRDOEPCDLT-WCQYABFASA-N 238.375 2.153 0 40 BEAB Cc1cnn(C[C@@H](C)NCC(C)(C)C)c1 71186384 BRULBKVBTUTEMJ-LLVKDONJSA-N 209.337 2.216 0 40 BEAB COc1c(C)cnc(Br)c1C 72204496 MMAYDVIRRIEUKV-UHFFFAOYSA-N 216.078 2.470 0 40 BEAB c1cc(NC2CC2)ncc1[C@H]1CCCN1 72213761 IRQXRYADAAELTH-LLVKDONJSA-N 203.289 2.080 0 40 BEAB O=C(O)C1(c2cc(-c3ccco3)on2)CCC1 72220596 WKZJZMJRGYVLQG-UHFFFAOYSA-N 233.223 2.441 0 40 BEAB Cc1cc(NC(=O)/C=C/c2cccnc2)ccn1 72281121 IDXHPRYICONJRN-SNAWJCMRSA-N 239.278 2.437 0 40 BEAB Cc1cc(N)nc(Nc2ccc(F)cc2F)n1 75156691 QKSACXABEHSRNQ-UHFFFAOYSA-N 236.225 2.389 0 40 BEAB CC(C)c1ccc(-n2nc(C(=O)O)cc2O)cc1 77401080 OTCHIELEZCCFJK-UHFFFAOYSA-N 246.266 2.400 0 40 BEAB O=C(Oc1ccc2[nH]ncc2c1)c1ccccn1 79075477 QFWKOMBLYAWYSO-UHFFFAOYSA-N 239.234 2.177 0 40 BEAB COC(=O)CCCN(C(C)C)C(C)C 80344493 LUHUYGWMFMHRHE-UHFFFAOYSA-N 201.310 2.058 0 40 BEAB NCC1(COCc2ccccc2)CCC1 85390402 IRPIOZSLRADEDT-UHFFFAOYSA-N 205.301 2.332 0 40 BEAB C[C@H]1Oc2cc(Br)ccc2[C@H]1N 87015800 MAUVFYGVIZXQHV-ANLVUFKYSA-N 228.089 2.230 0 40 BEAB C[C@@H](N)COCc1ccc(OC(F)F)cc1 89263513 KFHISSGQOPRACM-MRVPVSSYSA-N 231.242 2.152 0 40 BEAB CC(=O)NCCCSCC1CCCC1 95988313 BEBLRMWXVNHDNW-UHFFFAOYSA-N 215.362 2.436 0 40 BEAB COc1ccccc1C[C@H](NC(C)=O)C(C)C 96448311 HTHRBPMQUMZQRG-ZDUSSCGKSA-N 235.327 2.398 0 40 BEAB CC1=CCC[C@@H](C)[C@@H]1CNCCCn1ccnn1 97098873 DKALXIQHFOUXMQ-ZIAGYGMSSA-N 248.374 2.250 0 40 BEAB C[C@@H]1COC[C@@H](C)N1C(=O)CSC(C)(C)C 98012938 YWXFLDBTTFAXPN-NXEZZACHSA-N 245.388 2.154 0 40 BEAB Nc1cccc(-c2ccnc(Cl)n2)c1 107147160 NQVOVPVTEXLMHI-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB in-vitro C[C@H]1C[C@H](C)CC[C@H]1NC[C@@]1(O)CCSC1 195560713 UOVYKBYSDHCBEG-XQHKEYJVSA-N 243.416 2.269 0 40 BEAB COc1cccc([C@@H]2C[C@@H]2[C@@H](C)O)c1OC 216295046 FZMUAEIULPUYBQ-IEBDPFPHSA-N 222.284 2.188 0 40 BEAB Cc1cccc(C[C@H](OC(C)C)C(=O)O)c1 220392113 TZABLJZIXCFOCN-LBPRGKRZSA-N 222.284 2.416 0 40 BEAB CNCCCNc1ccnc2ccc(F)cc12 222678397 HIBMBFRFDTXVPY-UHFFFAOYSA-N 233.290 2.395 0 40 BEAB CCOc1ccc2nc(C)cc(NCCN)c2c1 222690545 ZQUIKNKOEGQYBV-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB Cc1cn(C(C)(C)C(=O)O)nc1C(F)(F)F 242400341 AUYOHSDKAZFHLI-UHFFFAOYSA-N 236.193 2.030 0 40 BEAB CCCNCc1cnc2sc(C)cn12 256050200 DDFFZBZGUKNQHV-UHFFFAOYSA-N 209.318 2.204 0 40 BEAB CON[N+](=O)/C=C/c1ccccc1Cl 584609631 SESVPLANHHQHEE-VOTSOKGWSA-N 213.644 2.156 0 40 BEAB Cc1nc(C)c(C)c(NCC2CSC2)n1 882679774 ZWUWMPQGMLMHPV-UHFFFAOYSA-N 223.345 2.177 0 40 BEAB CC[C@@]1(C)c2c(oc(C)c(C)c2=O)CC[C@H]1O 1772591483 CFHHZMLUIMVNSY-BXUZGUMPSA-N 236.311 2.231 0 40 BEAB Cc1cc(Cc2ccc(Cl)cc2)c(=O)[nH]n1 79006 MQKYKHDHVYEVRU-UHFFFAOYSA-N 234.686 2.323 0 40 BEAB O[C@@]1(C(F)F)CC(/C=C/c2cccs2)=NO1 509811 RFYVQJGHGHWEEJ-FSIBCCDJSA-N 245.250 2.491 0 40 BEAB C[C@@H](NC1CCN(C)CC1)c1ccccc1 798513 FZLJYZIIGQDRRX-GFCCVEGCSA-N 218.344 2.431 0 40 BEAB CCC(CC)(NC)[C@H](O)c1ccccc1 1634222 WHBFWLGMOIRXBA-GFCCVEGCSA-N 207.317 2.498 0 40 BEAB CCCNCc1nnc(-c2cccs2)o1 3888186 XUSFHDRSBSMRSS-UHFFFAOYSA-N 223.301 2.298 0 40 BEAB in-vitro Cc1cc(C)cc(NC(=O)NC2CCNCC2)c1 4910424 SEEPLLCTEFBVGK-UHFFFAOYSA-N 247.342 2.177 0 40 BEAB COC[C@@H](C)Oc1c(N)cccc1Cl 8730301 ZGBFOSYLDJGKJE-SSDOTTSWSA-N 215.680 2.336 0 40 BEAB COC(=O)c1c(C)nc(C(C)(C)C)nc1S 12859563 NJBYIRTZFFOMCP-UHFFFAOYSA-N 240.328 2.158 0 40 BEAB Cc1ccc(Cl)c(O[C@H]2CCNC2)c1 14632112 DNEFJUMNUGTKAY-VIFPVBQESA-N 211.692 2.389 0 40 BEAB CCOC(=O)C1(OCC)CCCCC1 20160407 XKRRFNDTJUCFMC-UHFFFAOYSA-N 200.278 2.289 0 40 BEAB C[C@H]1CN(Cc2cnc(Cl)s2)C[C@H](C)O1 20405789 ZDJTWVZXRZKZTD-YUMQZZPRSA-N 246.763 2.406 0 40 BEAB COC[C@@H](O)c1ccc(C(F)(F)F)cc1 22012559 RTAHBTGTKHXJQE-SECBINFHSA-N 220.190 2.385 0 40 BEAB O=c1cc(-c2cccs2)[nH]c(=S)[nH]1 26420770 GCRWCKWTDHPWIV-UHFFFAOYSA-N 210.283 2.161 0 40 BEAB NCCOCc1ccc(Cl)cc1Cl 28522049 MRFKDXYLAQBCGD-UHFFFAOYSA-N 220.099 2.469 0 40 BEAB in-vitro O=C(NC1CCCCC1)c1ccc(CO)cc1 33019321 HTOLRQZMPOJHJB-UHFFFAOYSA-N 233.311 2.241 0 40 BEAB CSCCC(=O)N1C[C@@H](C)C[C@@H](C)C1 33023783 BGKMIJJZBSSZOC-AOOOYVTPSA-N 215.362 2.244 0 40 BEAB c1ccc(CNCCCOc2ccccn2)nc1 35287314 MZDDGZOPIOVNCP-UHFFFAOYSA-N 243.310 2.035 0 40 BEAB CC(=O)Nc1ncc(Cl)cc1Cl 39254036 RMGQFSPFIYHCOG-UHFFFAOYSA-N 205.044 2.347 0 40 BEAB OC[C@H](c1cccs1)N1CCCCC1 41225794 LTTIPDXODVYECM-SNVBAGLBSA-N 211.330 2.267 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N(C)Cc1ccco1 42380198 WKFYMWUPRAGGPW-NSHDSACASA-N 239.315 2.299 0 40 BEAB Cc1ccccc1C(=O)N1C[C@H](C)OC[C@H]1C 45523727 IIICNVPJOBTBDZ-NEPJUHHUSA-N 233.311 2.244 0 40 BEAB COC[C@H](C)CN[C@H](C)c1cccc(O)c1 45656604 NRRJQCJQXPDDJU-GHMZBOCLSA-N 223.316 2.325 0 40 BEAB O=C(NC[C@H]1CCCNC1)C1CCCCCC1 53713933 YGINFDZEYOAKNX-LBPRGKRZSA-N 238.375 2.073 0 40 BEAB CCOC(=O)NCCc1ccc(F)cc1 61997462 QAYLYXUPKJCEJQ-UHFFFAOYSA-N 211.236 2.114 0 40 BEAB O=C(O)[C@@H]1CCN(c2ccnc3ccccc23)C1 62132860 MSFJZDPDKNIDET-SNVBAGLBSA-N 242.278 2.146 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1cccc(Cl)c1Cl 62713551 MJDQUHRGPPKQNS-KCJUWKMLSA-N 246.137 2.418 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccco1 65587881 QRRFIKSVMPKUMJ-JTQLQIEISA-N 248.282 2.303 0 40 BEAB CCOC(=O)c1nc2cc[nH]c2cc1Cl 66055041 OLTBMVMGFSXGSH-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB CCOCCN1C[C@H](c2ccccc2)OC[C@@H]1C 67228432 SXPHZRKYIZFDIU-DZGCQCFKSA-N 249.354 2.485 0 40 BEAB Nc1c(Br)ccc2c1CCC2=O 71257042 NMVLNZOPEQRTAO-UHFFFAOYSA-N 226.073 2.160 0 40 BEAB CC1(C)[C@]2(CC(=O)O)CC[C@@]1(C)C(=O)C2 72207008 OOKLLGFRJXQVEU-NWDGAFQWSA-N 210.273 2.247 0 40 BEAB CCCCCS(=O)(=O)c1cccc(C=O)c1 72209820 UNWVZKRPHSEOAO-UHFFFAOYSA-N 240.324 2.463 0 40 BEAB CC(=O)Nc1cnc(Oc2ccccc2)nc1 75172104 RHHYJAHSYYCGBJ-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB COC(=O)CC(=O)c1ccc(SC)cc1 79064373 MBPFHIAVNMXOJV-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB CC(C)N(C[C@H]1CCCN1)C(=O)OC(C)(C)C 79437636 CKOJRNZJECKZBJ-LLVKDONJSA-N 242.363 2.384 0 40 BEAB CCc1noc([C@@H](C)SCC(C)=O)n1 81273569 OWBYLHRHAYPIEN-SSDOTTSWSA-N 214.290 2.015 0 40 BEAB Cc1nc(C(C)C)sc1C(=O)NC1CC1 84062090 GSYUNFNMNNZYTF-UHFFFAOYSA-N 224.329 2.467 0 40 BEAB O[C@@H]1CCOc2ccc3ncccc3c21 85399834 QUYCRVKLPAXUBY-SNVBAGLBSA-N 201.225 2.051 0 40 BEAB CCCCCCC(=O)CC1OCCO1 85652278 JNSGPYUCLBNKIM-UHFFFAOYSA-N 200.278 2.289 0 40 BEAB Cc1ccc(CC(=O)N[C@@H](C)C2CC2)cc1O 89434074 WNQKTPVMDAXQDD-JTQLQIEISA-N 233.311 2.158 0 40 BEAB Cc1ccc(-c2nc([C@H](N)C(C)C)n[nH]2)cc1 95534784 FTJJOVHIWRMMRZ-LLVKDONJSA-N 230.315 2.436 0 40 BEAB CCOC(=O)c1cc(C(C)=O)c(C)nc1C 95883550 LWDJVXUDNDZUDS-UHFFFAOYSA-N 221.256 2.078 0 40 BEAB in-vitro COc1ccc(C(=O)C(F)F)cc1OC 95916725 KRWDZFOOQNTVSR-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB CC(C)(C)OC(=O)NCc1nccnc1Cl 95936262 PEOQYUBYJFKOAB-UHFFFAOYSA-N 243.694 2.155 0 40 BEAB COc1ccc(OC(=O)[C@H]2C[C@H]2C)cc1OC 96442982 KDZZEDKSRRAHHO-SCZZXKLOSA-N 236.267 2.265 0 40 BEAB COC(=O)[C@@]12CCC[C@@H]1CN(Cc1ccco1)C2 97084942 BKOGVIJRUSKVKY-BXUZGUMPSA-N 249.310 2.055 0 40 BEAB CCOC(=O)[C@@H]1CCCO[C@H]1C(C)C 98095757 WVYBVCQXRFKMOW-ZJUUUORDSA-N 200.278 2.001 0 40 BEAB in-vitro CC(C)c1cc(C(=O)N2C[C@H]3CC[C@H]2C3)nn1C 102342805 FZMKARPTELUBFU-QWRGUYRKSA-N 247.342 2.168 0 40 BEAB Cc1ncn2cc(Br)ccc12 107212108 YINHFWLVRXVMOL-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB in-vitro CCOc1cc(Cl)c(C(=O)O)cc1OC 113408291 FRJCKGYHNHFDGF-UHFFFAOYSA-N 230.647 2.446 0 40 BEAB Oc1nc(C2CC2)cc(C(F)(F)F)n1 113466722 ACBOHUYAXFPTEM-UHFFFAOYSA-N 204.151 2.078 0 40 BEAB CC(=O)Oc1ccc(C(=O)C(F)F)cc1 145163435 UNFPICNBXBWQKZ-UHFFFAOYSA-N 214.167 2.060 0 40 BEAB COC(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)COC2 225804934 SXEFOLROKMKNMC-ZMLRMANQSA-N 212.289 2.002 0 40 BEAB Cn1ccc(CNc2cnn(C3CCCC3)c2)n1 256051083 HQEWHRLGZOOYHD-UHFFFAOYSA-N 245.330 2.344 0 40 BEAB Cn1nccc1[C@H]1CCCCN1C(=O)C1CCC1 281373423 UIDNYSZUTIGBRB-CYBMUJFWSA-N 247.342 2.274 0 40 BEAB C[C@H](CNC1=NCCCCN1)c1ccccc1 521396927 HVNKMTQTAWDWID-GFCCVEGCSA-N 231.343 2.119 0 40 BEAB F[C@H]1COC[C@H]1Nc1ccc2ccccc2n1 585298210 RKHOZHVBAOVFFO-CMPLNLGQSA-N 232.258 2.384 0 40 BEAB CCOC(=O)Cc1cc(OCC)c(Cl)cn1 1857793128 QYAUJLAVBQHGTB-UHFFFAOYSA-N 243.690 2.239 0 40 BEAB O=C1CCCCCN1C(=O)c1ccccc1F 1099219 PANKQJCCAJEZEQ-UHFFFAOYSA-N 235.258 2.369 0 40 BEAB O=CN[C@H](c1ccccc1)[C@H](O)c1ccccc1 3843461 QBRCLMGOKXKHER-HUUCEWRRSA-N 241.290 2.207 0 40 BEAB biogenic CCc1c(O)[nH]c2ccc(Cl)cc2c1=O 3945004 AMILEYBESAKOQP-UHFFFAOYSA-N 223.659 2.450 0 40 BEAB O=C(O[C@@H]1CCCC[C@H]1O)c1ccccc1 4648755 CIBMJUAZBFVYAB-VXGBXAGGSA-N 220.268 2.147 0 40 BEAB C1CC[C@H]2[C@@H](C1)CCC[C@@H]2NC1=NCCO1 5190146 ARGKDOYQHZOQEK-SRVKXCTJSA-N 222.332 2.321 0 40 BEAB CN(C)C(=O)c1csc2c1CCCC2 12894557 JLZXLUPFBSCPNR-UHFFFAOYSA-N 209.314 2.329 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 12931341 KAIOSRQHKAAEBN-CABZTGNLSA-N 237.274 2.182 0 40 BEAB CN(C)c1ncc(C(=O)c2ccccc2)s1 16186640 IHRPRYDDVXPRAX-UHFFFAOYSA-N 232.308 2.440 0 40 BEAB C[C@@H]1NCCc2cc3c(cc21)OCCCO3 17043813 QUYZCGGLMLPAJR-VIFPVBQESA-N 219.284 2.055 0 40 BEAB CCNC(=S)NC1CCCCCC1 17083493 OMSPROAZJIWNIV-UHFFFAOYSA-N 200.351 2.193 0 40 BEAB CCn1cc(NCc2ccnn2CC)c(C)n1 20351013 USAJARZFNXTWCL-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CCCn1ccc(C(=O)Nc2ncccc2C)n1 27971520 UNXIONVRUFJVSH-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB COCc1cccc(C(=O)NCc2ccco2)c1 28648544 WOKFBSBJVRYTQA-UHFFFAOYSA-N 245.278 2.356 0 40 BEAB CNC(=O)c1cc(C)nc2ccc(C)cc12 32999439 FXIGCIYOTGMKEV-UHFFFAOYSA-N 214.268 2.211 0 40 BEAB CC(=O)c1c(F)cccc1N1CCOC[C@H]1C 35237038 ZEDNIJVJYNZVIA-SECBINFHSA-N 237.274 2.253 0 40 BEAB O=C(NCCc1cccs1)c1ccncc1 36622743 MBRRKSONRBUYSE-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB Nc1cnc(-c2cccc(Cl)c2)nc1 36895543 GJUQGOGKBANZDS-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB NC[C@@H](c1ccc(F)cc1)N1CCCCC1 38827584 UVIGGJRPXIOCTF-ZDUSSCGKSA-N 222.307 2.311 0 40 BEAB COc1ccc([C@H](O)c2ccco2)c(OC)c1 40248125 KSUGKRREPCFIFY-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB C[C@H](NC(=O)Nc1nccs1)c1ccncc1 40490193 HTAWRRDCFALKBG-QMMMGPOBSA-N 248.311 2.421 0 40 BEAB OC[C@H](c1ccccc1Cl)N1CCCC1 41246390 GVSPIIQXKGZSAX-GFCCVEGCSA-N 225.719 2.469 0 40 BEAB CC[C@H]1CCCN(C(=O)c2cc(C)on2)C1 41880942 NXJBATIFKJUKOS-JTQLQIEISA-N 222.288 2.245 0 40 BEAB Cc1ccc(C)c(CC(=O)N2CCCC2)c1 44883563 WRVBCKRCQWBILE-UHFFFAOYSA-N 217.312 2.468 0 40 BEAB CCN(CC)CCNC(=O)c1ccc(C)cc1C 46464611 VOQKTEBQGFBBQB-UHFFFAOYSA-N 248.370 2.375 0 40 BEAB Cc1cc(C(=O)N2CCCC2)c2c(C)noc2n1 49085113 KYBRYAAZSLRJJZ-UHFFFAOYSA-N 245.282 2.076 0 40 BEAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCO1 49940464 HSGMJJFPEWFTBR-GWCFXTLKSA-N 249.310 2.051 0 40 BEAB CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O 60007089 XLDQNKSCLODJJQ-BDAKNGLRSA-N 243.303 2.107 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1ccccc1C(F)(F)F 62713612 GFGAEVYBDILOJL-MNOVXSKESA-N 245.244 2.130 0 40 BEAB O=Cc1nc2ccc(C(F)(F)F)cc2[nH]1 74139969 UAXLBYYHIYNURW-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB CCN(CC)C(=O)c1ccc(-n2ccnc2)cc1 82262864 LTGXWASXRCIRPG-UHFFFAOYSA-N 243.310 2.354 0 40 BEAB CC(C)(C)C(=O)NCc1ccccc1C(=O)O 82301424 PKKLKGQAUKYLTB-UHFFFAOYSA-N 235.283 2.047 0 40 BEAB CCN1CCc2[nH]c3ccc(N)cc3c2C1 85348041 JHZNWRXCXUUAJU-UHFFFAOYSA-N 215.300 2.128 0 40 BEAB O=Cc1cc(C(F)(F)F)cc2cn[nH]c12 89197251 WAUYYAVBIIYPLR-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB O=C(C1CCOCC1)N1C[C@@H]2CCCC[C@H]2C1 89818831 XPMUXKYNHPNVTI-STQMWFEESA-N 237.343 2.062 0 40 BEAB O=C(c1ccccc1F)N1CCOC[C@@H]1C1CC1 89971466 IQNVWZOUOJEFAQ-CYBMUJFWSA-N 249.285 2.077 0 40 BEAB COC(=O)c1cccc(Br)c1C=O 95097317 UFUAEUZCBWKCLG-UHFFFAOYSA-N 243.056 2.048 0 40 BEAB CC(=O)OCC[C@H](C)CC[C@@H](F)C(C)(C)O 95470370 CUAABNZMYPAGAI-MWLCHTKSSA-N 234.311 2.465 0 40 BEAB O=C(O)[C@@H]1CCc2cc(Cl)ccc2O1 95752076 UIVQVPBZOASIML-VIFPVBQESA-N 212.632 2.118 0 40 BEAB Cc1snc(-c2ccccc2)c1C(N)=O 96319547 AVTYZZNCZAUWJA-UHFFFAOYSA-N 218.281 2.217 0 40 BEAB O=C1NC(=O)/C(=C\c2ccc(F)c(F)c2)S1 97996530 OWQKJWJDNJJLHS-XBXARRHUSA-N 241.218 2.289 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)O 100362758 MZKZHXRZHFXJPH-JRKPZEMJSA-N 224.300 2.493 0 40 BEAB N[C@H]1C[C@]12CCc1cc(Br)ccc12 127872918 HPLZQVPAYLSJEZ-QWRGUYRKSA-N 238.128 2.364 0 40 BEAB O=C(c1ccc2c(c1)OCCO2)C(F)(F)Cl 163980923 HLBBHQKEAQJZLE-UHFFFAOYSA-N 248.612 2.472 0 40 BEAB C[C@]1(CCC(=O)O)[C@H]2CC[C@@]1(C)[C@@H](N)C2 216342392 UFZBZBFBJHZVMJ-QSFUFRPTSA-N 211.305 2.005 0 40 BEAB C[C@@]12CC[C@@H](C[C@H]1O)[C@@]2(C)CCC(=O)O 242547875 KXIHOSNFVBVESP-LUTQBAROSA-N 212.289 2.038 0 40 BEAB CCOc1cnc2cccc(F)c2c1C(=O)O 685936826 BRPPMEZYFWFCDW-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]12CCC[C@@H]2O 953091161 CSQRGDKPKDHLEO-GWCFXTLKSA-N 241.331 2.301 0 40 BEAB COC(=O)c1ccc([Si](C)(C)C)c(F)c1F 1082530012 HRNBOBODADURAW-UHFFFAOYSA-N 244.313 2.297 0 40 BEAB CC(=O)Nc1cc(-c2ccccc2)on1 4565896 CDZCQHBMPQSNIC-UHFFFAOYSA-N 202.213 2.300 0 40 BEAB O=C(O)C(=O)Cc1ccc2ccccc2c1 5521335 GTZXBCWKXWCNNO-UHFFFAOYSA-N 214.220 2.036 0 40 BEAB in-vitro CC(=O)CC(=O)N[C@H]1CCCc2ccccc21 6022406 DCVWAHNIZCZREQ-ZDUSSCGKSA-N 231.295 2.159 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 8320678 SVSLAVIUAIRASN-AWEZNQCLSA-N 247.338 2.372 0 40 BEAB O=C(N[C@H]1CCCc2occc21)c1cccnc1 12870657 DUVWQSXTYLZJJE-LBPRGKRZSA-N 242.278 2.482 0 40 BEAB C[C@H](NC(=O)NC1CC1)c1ccc(F)cc1 12893055 YZLNXJPUSDKABS-QMMMGPOBSA-N 222.263 2.348 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cn1 13746840 RBKWRERYPKKKEE-SVRRBLITSA-N 210.664 2.330 0 40 BEAB CC(C)CNC(=O)/C=C\c1ccccc1 17323651 LNXFPTPVIMNAOD-HJWRWDBZSA-N 203.285 2.472 0 40 BEAB O=C(Nc1ccccc1Cl)c1ccc(=O)[nH]c1 20298449 AKTYJCRNZNLSSH-UHFFFAOYSA-N 248.669 2.281 0 40 BEAB C[C@H](NC(=O)c1ccoc1)c1cccnc1 32873744 XZUUUVUAWWCDHN-VIFPVBQESA-N 216.240 2.166 0 40 BEAB CCOC(=O)c1ccn(-c2ccccc2F)n1 32929975 SNHNJYFEMIDMMM-UHFFFAOYSA-N 234.230 2.188 0 40 BEAB CSc1cc(C(=O)O)ccc1NC(C)=O 32938002 JIIDNHJBFBCZIB-UHFFFAOYSA-N 225.269 2.065 0 40 BEAB in-vitro CCCCNC(=O)Cc1ccccc1F 36459832 BPNQHABORDNBIN-UHFFFAOYSA-N 209.264 2.285 0 40 BEAB COC(=O)c1cc(Br)c(N)cc1C 39951732 RGEYIEQKPUEEIA-UHFFFAOYSA-N 244.088 2.126 0 40 BEAB Cc1cc(NC(=O)Cc2cccc(F)c2)n(C)n1 40030705 BLVHWPRVUJOPKP-UHFFFAOYSA-N 247.273 2.049 0 40 BEAB CC(C)Sc1nnnn1C1CCCC1 40468478 HIUDBHDFMIMKQL-UHFFFAOYSA-N 212.322 2.289 0 40 BEAB Cc1nnc(SCC[C@@H]2CCCCN2)s1 43499626 IZZDGKDWZITBIS-VIFPVBQESA-N 243.401 2.471 0 40 BEAB O=C(Nc1ccccn1)N1CCCCCC1 48347369 ZTPPWYJVSQTJGF-UHFFFAOYSA-N 219.288 2.490 0 40 BEAB Cc1cc(NC(=O)CCc2ccccc2F)[nH]n1 48602477 LMZXGLMNRYKTFT-UHFFFAOYSA-N 247.273 2.429 0 40 BEAB CNc1ccc(C(=O)Nc2nc(C)cs2)cn1 50722986 KFUZQKXCHQIREQ-UHFFFAOYSA-N 248.311 2.141 0 40 BEAB COc1cccc(C(=O)N[C@H](C)C(C)C)c1 57159807 ADQOSBRGVMJZPE-SNVBAGLBSA-N 221.300 2.470 0 40 BEAB O=C1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 58037926 NFJXWSGDBZJYSN-UONOGXRCSA-N 229.323 2.488 0 40 BEAB in-vitro Cc1noc(CN2CCC[C@@H](C(F)(F)F)C2)n1 65549889 VXENOVPWFXCUJY-MRVPVSSYSA-N 249.236 2.152 0 40 BEAB CCOC(=O)C[C@H](C(C)C)N(CC)CC 70824215 WERXDZAZESUFLQ-LLVKDONJSA-N 215.337 2.306 0 40 BEAB Cc1ccccc1CNC[C@@H]1CCCNC1 72203915 AKHDTXKWYLGRGE-CYBMUJFWSA-N 218.344 2.084 0 40 BEAB CCN1CCC[C@@H]1c1ccc(N)nc1C 72218551 WODJHSIWXJQFLJ-LLVKDONJSA-N 205.305 2.129 0 40 BEAB Cc1nc(N2CCCCC2)ccc1[C@H](C)O 72224545 BYBMEDUDPXTFNO-NSHDSACASA-N 220.316 2.434 0 40 BEAB NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 72406707 CHBQGFRKOKEJCF-DTWKUNHWSA-N 229.201 2.294 0 40 BEAB NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 72406708 CHBQGFRKOKEJCF-RKDXNWHRSA-N 229.201 2.294 0 40 BEAB CCOc1ccc(-c2ccc(C(N)=O)o2)cc1N 73640440 HMANQTVOXNPELI-UHFFFAOYSA-N 246.266 2.026 0 40 BEAB COc1cc(C)ccc1-c1n[nH]cc1C=O 74114289 JSZYVMXRJFJOAC-UHFFFAOYSA-N 216.240 2.206 0 40 BEAB C[C@H]1CNCCN1C[C@H](C)c1ccccc1 83349523 PFCGFSCWLYDURJ-STQMWFEESA-N 218.344 2.084 0 40 BEAB CCC[C@](C)(CO)NCc1scnc1C 83469623 JQVLFRXSFKECPW-LLVKDONJSA-N 228.361 2.092 0 40 BEAB CCN(CC)[C@@](C)(C(=O)OC)c1ccccc1 85393559 GSIZSPDHNNDHLG-CQSZACIVSA-N 235.327 2.417 0 40 BEAB Cc1ccc(CN(C)CCn2cnnc2)cc1C 93808163 QHSDOTBAYQZSFB-UHFFFAOYSA-N 244.342 2.027 0 40 BEAB Cc1ccc(Cc2nc3ccc(N)nc3[nH]2)cc1 94264609 DTRQOYGHINQUCB-UHFFFAOYSA-N 238.294 2.439 0 40 BEAB Cc1cccc(-c2nc([C@@H](N)C(C)C)n[nH]2)c1 95534787 BSTBVHUPGWFVHB-NSHDSACASA-N 230.315 2.436 0 40 BEAB O[C@H](CCC1OCCCO1)c1cccc(F)c1 95728917 BRRYIYPNYFDTCF-GFCCVEGCSA-N 240.274 2.402 0 40 BEAB CCC[C@H](C(=O)N1CC[C@H](CCO)C1)C(C)C 95979544 IBKNEGULTHTECG-OLZOCXBDSA-N 241.375 2.290 0 40 BEAB C[C@H](O)[C@@H](C)SCc1nccn1C(F)F 96430306 BFGLPRYCFJTQGJ-NKWVEPMBSA-N 236.287 2.281 0 40 BEAB CCCN(Cc1ccco1)C[C@@H](N)C(C)C 96523744 GDLQTOPFBLUJDY-CYBMUJFWSA-N 224.348 2.475 0 40 BEAB COC(=O)[C@@H](NCc1ccc(C)o1)C(C)(C)C 97162278 HLKYVSSAGAORPD-LLVKDONJSA-N 239.315 2.265 0 40 BEAB Cc1ccc(NC(=O)NCc2ccncc2)nc1 97372803 FBMUBCLTZGYQOI-UHFFFAOYSA-N 242.282 2.107 0 40 BEAB C1=CC[C@H](c2nc([C@H]3CCOC3)no2)CC1 98019213 MZFGEGLAEUDSDJ-UWVGGRQHSA-N 220.272 2.397 0 40 BEAB CCO[C@@H](CO)Cc1ccc(Cl)cc1 165718567 MXFVXKOUYUPONU-LLVKDONJSA-N 214.692 2.280 0 40 BEAB Cc1cc(F)ccc1N1CCN[C@@H]2CCC[C@H]21 218847158 PDPKXEVVDGTIIZ-TZMCWYRMSA-N 234.318 2.465 0 40 BEAB CO[C@@H]1[C@H]2CC[C@H]1N(c1ccccc1)C2 247931238 FZFQVBICFZRGRN-CYZMBNFOSA-N 203.285 2.300 0 40 BEAB CO[C@@H]1[C@H]2CC[C@H]1N(c1cccc(F)c1)C2 247986799 ZHMMSAGNFRKOQN-ZWKOPEQDSA-N 221.275 2.439 0 40 BEAB COc1ccc(Cl)cc1N(C)[C@H](C)C(=O)O 259998649 JPNVPKMUBBPSIV-SSDOTTSWSA-N 243.690 2.258 0 40 BEAB CC(C)Nc1cccc(C[C@@H]2CCN(C)C2)n1 299843208 OGXXAZOJPVXSPB-LBPRGKRZSA-N 233.359 2.396 0 40 BEAB O=C(NC[C@@H]1COc2ccccc21)c1ccoc1 335123792 RRCWLJWNCIKZRQ-LLVKDONJSA-N 243.262 2.186 0 40 BEAB Cc1cc(CN(C)Cc2cnc[nH]2)ccc1F 361334385 GRBZMTVHKMQAKQ-UHFFFAOYSA-N 233.290 2.489 0 40 BEAB COC(=O)c1cn(C)c2cc(Cl)cnc12 953034859 MARVTABRXHSYSE-UHFFFAOYSA-N 224.647 2.013 0 40 BEAB Nc1cc2nccc(-c3ccc(F)cc3)n2n1 1548918950 VOJWLAGQPZPKRI-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB Cn1cnc(-c2c(F)c(F)c(F)c(F)c2F)n1 2362801836 UTWDLOADBKRMEK-UHFFFAOYSA-N 249.142 2.178 0 40 BEAB Cc1nnsc1C(=O)N[C@H](C)c1ccccc1 478312 GRPONLCDRJEXHO-MRVPVSSYSA-N 247.323 2.338 0 40 BEAB O=C(O)c1c(-c2ccccc2)nc2n1CCS2 1571514 JSNCECPYJFRHGV-UHFFFAOYSA-N 246.291 2.354 0 40 BEAB biogenic CCCCS(=O)(=O)Nc1cc(C)ccc1O 5259973 SZWGRKLBIRDGDW-UHFFFAOYSA-N 243.328 2.242 0 40 BEAB COc1ccc(C)cc1O[C@@H]1CCCNC1 12359836 MCMAGBFGCYIOQN-LLVKDONJSA-N 221.300 2.134 0 40 BEAB CC(C)n1ncc2cc(NC(=O)C3CC3)cnc21 17525831 VFJBJILQMSFWQK-UHFFFAOYSA-N 244.298 2.361 0 40 BEAB C[C@@](N)(C(=O)O)c1ccc(Cl)c(Cl)c1 19474720 IBUQLJLHWNSERX-VIFPVBQESA-N 234.082 2.252 0 40 BEAB CC(C)[C@@H]1CN(Cc2ccccc2)CCN1 21986721 HPOGZEGDXGTDSX-AWEZNQCLSA-N 218.344 2.116 0 40 BEAB COCCCn1c(C)c(C)c(C=O)c1C 22122327 NFOCPBRXSIZUOJ-UHFFFAOYSA-N 209.289 2.262 0 40 BEAB CN(C)c1ccc(NC(=O)c2ccsc2)cn1 22419628 LYCMGOMASDVQQV-UHFFFAOYSA-N 247.323 2.461 0 40 BEAB Cc1nc(C(=O)N2CCc3ccccc3C2)co1 22538357 IFOGIFZYLDNKMD-UHFFFAOYSA-N 242.278 2.182 0 40 BEAB CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 28575763 CULIBIWFRVFQBQ-QWRGUYRKSA-N 235.331 2.021 0 40 BEAB CCCC(=O)N(C)Cc1nc2ccccc2[nH]1 29329212 PLVWSOYWMHIACD-UHFFFAOYSA-N 231.299 2.321 0 40 BEAB Nc1ccccc1C(=O)NCCCc1ccco1 30874070 XHJFQKPUCBVMPH-UHFFFAOYSA-N 244.294 2.224 0 40 BEAB CO[C@H](C)c1ccc(-c2cnc(N)cn2)cc1 32576591 CMYLLCQOUOFQDC-SECBINFHSA-N 229.283 2.433 0 40 BEAB COC(=O)c1ccc2c(N)c(OC)ccc2c1 34182042 OCCYICKWXHTMAC-UHFFFAOYSA-N 231.251 2.217 0 40 BEAB C1CN(CCC23CC4CC(CC(C4)C2)C3)CCN1 34977173 IIZAADIADNVYHM-UHFFFAOYSA-N 248.414 2.498 0 40 BEAB in-vitro CCOC(=N)c1ccc(OC)cc1OC 37928132 LEAFOBVBKRPNBB-UHFFFAOYSA-N 209.245 2.066 0 40 BEAB Brc1snc2cccnc12 39711855 WPLSGKABFTZNND-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB in-vitro COCC(=O)N[C@H](C)Cc1ccccc1Cl 40107881 MVIVUOSLMANTQW-SECBINFHSA-N 241.718 2.034 0 40 BEAB CCC(C)(C)NC(=O)c1ccnc(N(C)C)c1 40540545 WWZOWRVQRLRQSV-UHFFFAOYSA-N 235.331 2.066 0 40 BEAB N[C@@H](CC(=O)O)c1cc(Cl)ccc1Cl 44196737 NZAOZOHLJPIBII-QMMMGPOBSA-N 234.082 2.468 0 40 BEAB CCC(=O)Nc1cc(/C=C/C(=O)O)ccc1OC 49592471 DLMBNVHSDMDJOZ-FNORWQNLSA-N 249.266 2.142 0 40 BEAB CC(C)C(=O)N1CCN(C)C[C@H]1c1ccccc1 52851966 VIXNVCQVNWNIMN-AWEZNQCLSA-N 246.354 2.158 0 40 BEAB CCC[C@H](C)[C@](CC)(C(=O)O)C(=O)OCC 71621743 ICUDBEZIRXXJAE-JOYOIKCWSA-N 230.304 2.467 0 40 BEAB Nc1ccc(F)c(F)c1[C@@H](N)C(F)(F)F 72190713 YXTYJUWWNHLOTQ-SSDOTTSWSA-N 226.148 2.109 0 40 BEAB Cc1cn(-c2cncc(Br)c2)cn1 72192807 VMZLJNZWYGRNCW-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB in-vitro CCOC(=O)C[C@H](NC1CC1)c1ccccc1 72210266 JHJGVLZLXIUSNK-ZDUSSCGKSA-N 233.311 2.433 0 40 BEAB CCN1CCC[C@H]1c1cccnc1NC 72212528 LNAQVJAURCUJIK-NSHDSACASA-N 205.305 2.280 0 40 BEAB Cc1n[nH]c(C(=O)O)c1Cc1cccs1 72220413 WIVWFRHQNOKGEI-UHFFFAOYSA-N 222.269 2.069 0 40 BEAB CCC[C@H](C)NC(=O)NCc1ccn(C)c1 75092511 DUNSLSPEJNMMNX-JTQLQIEISA-N 223.320 2.013 0 40 BEAB O=C(O)c1cc(-c2ccn[nH]2)n2ccccc12 91304813 TYYVKWOCYMJMLF-UHFFFAOYSA-N 227.223 2.028 0 40 BEAB in-vitro c1ccc(CSC2CCNCC2)nc1 91362313 KRELIUWCJNPHBK-UHFFFAOYSA-N 208.330 2.067 0 40 BEAB COCCN(Cc1cccc(O)c1)CC1CC1 95396592 WPJOYEKPXGNRSG-UHFFFAOYSA-N 235.327 2.251 0 40 BEAB CCN(CC(C)(C)O)[C@@H](C)c1ccccn1 95978708 AMBUUBMDAMRNRR-NSHDSACASA-N 222.332 2.235 0 40 BEAB CCC(C)(C)COC(=O)c1ccnc(C)n1 96442997 OCIOMXJHVXBWOX-UHFFFAOYSA-N 222.288 2.378 0 40 BEAB Cc1cc(C)nc(N2CCCCCC2)n1 97008928 PWPBCNMPLVSLGD-UHFFFAOYSA-N 205.305 2.474 0 40 BEAB Cc1c(O)c2ccc(Cl)cc2n(C)c1=O 101205361 DLTYPIRNMDYYMC-UHFFFAOYSA-N 223.659 2.206 0 40 BEAB O=C(O)[C@@H]1CCc2[nH]c3ccccc3c21 107190428 KPUYRZKPXVVXCE-MRVPVSSYSA-N 201.225 2.282 0 40 BEAB Cc1cc(Br)cc2[nH]c(CO)nc12 126571911 IGUTZNNRTGLWSB-UHFFFAOYSA-N 241.088 2.126 0 40 BEAB Cc1ccc([C@@H](NN)C(F)(F)F)cc1 161800335 SKLPPFSZFDNHKL-MRVPVSSYSA-N 204.195 2.062 0 40 BEAB CCO[C@H](Cc1ccc(CC)cc1)C(=O)O 225044322 UQMFEYAAVFEFRU-GFCCVEGCSA-N 222.284 2.281 0 40 BEAB CCc1c(-c2ccccc2O)noc1N 228947190 WKRGGVCSZQWOQJ-UHFFFAOYSA-N 204.229 2.192 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1ccc(Cl)nc1 252479943 BQKOJNOSEHXUHY-SCZZXKLOSA-N 226.707 2.175 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]12 252504427 BCXDKAVVMHYQOS-ZTYPAOSTSA-N 203.163 2.126 0 40 BEAB CC(C)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257285430 PHBGDIZESBMASY-GJZGRUSLSA-N 249.354 2.299 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)CC)cn1 1358302 WWFMIXFUCAPKNE-UHFFFAOYSA-N 235.287 2.169 0 40 BEAB NNc1nc(Cl)c(Cl)cc1Cl 3886291 INDHBHJIGGAHPB-UHFFFAOYSA-N 212.467 2.327 0 40 BEAB in-vitro O=C(O)c1cnn(-c2ccccc2)c1Cl 4243206 SOKCDRLJSDODJA-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro O=C1CCCCCN1C(=O)c1cccs1 4313400 LAXNJTXGLGFKBV-UHFFFAOYSA-N 223.297 2.291 0 40 BEAB Cc1ccc(N2CCNCC2)cc1Cl 4457430 HZENZTPJJXKSDT-UHFFFAOYSA-N 210.708 2.058 0 40 BEAB C[C@H]1[C@H]2CC(=O)N(C)[C@]1(C)Oc1ccccc12 4511916 QAJBXYNHEPDHHV-DRCTWCGVSA-N 231.295 2.377 0 40 BEAB C[C@H]1CC(C)(C)N[C@H]([C@@H]2CCC=CO2)O1 4803876 WEKSFFIEUWLTHJ-DCAQKATOSA-N 211.305 2.182 0 40 BEAB Cc1ccc(/N=c2/[nH]c(=O)cc(C)s2)cc1 5543343 JMBNHSDYNGGOOT-UHFFFAOYSA-N 232.308 2.286 0 40 BEAB NCCc1c[nH]c2cccc(Br)c12 12375015 GUAGFYUVBQEZFB-UHFFFAOYSA-N 239.116 2.432 0 40 BEAB CCn1cc(CNc2ccccc2C(=O)O)cn1 12395148 JKOCJZOJIWGILJ-UHFFFAOYSA-N 245.282 2.213 0 40 BEAB COC(=O)c1cc(C)nc2c1c(C)nn2C(C)C 12395731 BASBULAPCPNBIV-UHFFFAOYSA-N 247.298 2.416 0 40 BEAB Cc1nc(N2[C@@H](C)CCC[C@H]2C)ncc1C(=O)O 13638923 JSIQFJUEZCCIMR-DTORHVGOSA-N 249.314 2.251 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1 16291991 INBNTZUEACCAHO-QWHCGFSZSA-N 233.311 2.028 0 40 BEAB OCC1CCC2(CC1)CNCc1ccccc1O2 19375591 AUEYOVFDROKQFB-UHFFFAOYSA-N 247.338 2.090 0 40 BEAB Cc1cccc2c1N[C@@H](c1ccccn1)NC2=O 28923418 YKYCMVFBXDKOQT-CYBMUJFWSA-N 239.278 2.244 0 40 BEAB CC[C@H](C)OC(=O)CCC(=O)O[C@H](C)CC 31334715 PJZURRKQOJYGAU-AOOOYVTPSA-N 230.304 2.450 0 40 BEAB CNCCCc1c[nH]nc1-c1ccc(F)cc1 32936444 SFFIAVPMUSLTBM-UHFFFAOYSA-N 233.290 2.368 0 40 BEAB O=C1CCCCCOC(=O)CCCCCO1 34542648 NUTDOUGNQAMWBU-UHFFFAOYSA-N 228.288 2.207 0 40 BEAB in-vitro N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 37240699 JESYTMXMXNUFCV-VIFPVBQESA-N 230.233 2.243 0 40 BEAB in-vitro Cc1nnc(S[C@@H]2CCCCC2=O)s1 37485676 XMGJPMNSPKPFLZ-MRVPVSSYSA-N 228.342 2.450 0 40 BEAB Cc1n[nH]c(Sc2ccc(N)cc2C)n1 41062480 HGVXWQIWXQULGF-UHFFFAOYSA-N 220.301 2.155 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccn1 47824105 WZYVDHDGBNQEQH-VXGBXAGGSA-N 248.326 2.155 0 40 BEAB COc1ccc(S[C@@H]2CCNC2)cc1 51783965 FRIKEAYAMSNBRO-LLVKDONJSA-N 209.314 2.149 0 40 BEAB Cc1cc(=O)oc2cc(NC(=O)N(C)C)ccc12 53909640 NQCXXDDZGOXGQU-UHFFFAOYSA-N 246.266 2.195 0 40 BEAB CC[C@@H](COC)NCc1ccc(F)cc1 70623683 QHYRPEFSPGOCIR-LBPRGKRZSA-N 211.280 2.340 0 40 BEAB CC(C)N1CCCC[C@@H]1c1ccnc(N(C)C)n1 72382232 QXRXUEHEKFPRPW-CYBMUJFWSA-N 248.374 2.478 0 40 BEAB Cc1cnc(NC(=O)CCn2cccc2)s1 73707574 GAORZLPFUBJLIV-UHFFFAOYSA-N 235.312 2.282 0 40 BEAB CCONC(=O)c1cc(C)ccc1N1CCCC1 78763131 DRQVPGLSUANFPT-UHFFFAOYSA-N 248.326 2.277 0 40 BEAB N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79437095 FAIYTHASVJZIGQ-CHWSQXEVSA-N 248.326 2.183 0 40 BEAB Cc1cncc(NC(=O)N2CCCC2)c1 79818494 WHTUNTZZTGVRGI-UHFFFAOYSA-N 205.261 2.018 0 40 BEAB O=C(O)C[C@H](c1cccc(O)c1)C1CC1 84383312 QDUBBYWKNCGSOJ-NSHDSACASA-N 206.241 2.361 0 40 BEAB O=C(O)c1cc(O)ccc1C(F)(F)F 89064082 QYGBIUJXLVIFCS-UHFFFAOYSA-N 206.119 2.109 0 40 BEAB in-vitro Cc1csc(N(C(=O)C2CC2)C2CC2)n1 89705676 HUKLAFDOQMWLFO-UHFFFAOYSA-N 222.313 2.357 0 40 BEAB CC(C)(CC1CCOCC1)C(=O)N1CCCC1 95414448 RYEMPTSSCUHDGR-UHFFFAOYSA-N 239.359 2.452 0 40 BEAB Cc1nc2n(n1)[C@@H](c1cccs1)C[C@H](C)N2 95471675 HMXQNWJJFLYVST-IONNQARKSA-N 234.328 2.442 0 40 BEAB CC(C)N(C)CC(=O)Nc1ncc(Cl)s1 96449653 HRUASRIOECCMGU-UHFFFAOYSA-N 247.751 2.075 0 40 BEAB NC(=O)C(=S)Nc1ccc(Cl)cc1Cl 98175482 ORWNVFSFZWUKKI-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB Clc1ccc([C@H]2C[C@@H]3CC[C@@H]2N3)cn1 100008787 NLPRAJRHRHZCQQ-AEJSXWLSSA-N 208.692 2.343 0 40 BEAB in-vitro CNCCCCCCNC(=O)OC(C)(C)C 199649219 ZNZSUZGLIJORGM-UHFFFAOYSA-N 230.352 2.291 0 40 BEAB in-vitro O=C(O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 217037557 MLFMKEHMBCKEPZ-CABZTGNLSA-N 238.670 2.465 0 40 BEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)ncn2C 225892307 XOYLIATXSFZLGQ-JTQLQIEISA-N 245.326 2.492 0 40 BEAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1 245225202 PQUMMGONKCIJMR-DCAQKATOSA-N 219.284 2.446 0 40 BEAB FC(F)(F)C1CN(c2nc(C3CC3)ns2)C1 335233175 MHGMRAFQSRVRMQ-UHFFFAOYSA-N 249.261 2.414 0 40 BEAB Cc1c(O)c(=O)ccn1CC1CCCC1 575410953 TWCNPNMCKMVPKQ-UHFFFAOYSA-N 207.273 2.053 0 40 BEAB Cc1cncc(Nc2ncccc2C)n1 1565522148 JGMBLIGWHLVBCV-UHFFFAOYSA-N 200.245 2.232 0 40 BEAB CC(=O)Cc1cc(C(C)=O)ccc1C(C)=O 507421 QJBXKOUUURIRNU-UHFFFAOYSA-N 218.252 2.223 0 40 BEAB COc1cccc(C(=O)NCCC(C)C)c1 563861 PJLGWJKFLSHQLH-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB Cc1nn(Cc2ccccc2)c(C)c1C=O 586738 KQZFABYWVRTOFK-UHFFFAOYSA-N 214.268 2.361 0 40 BEAB in-vitro CS(=O)(=O)Oc1cccc(C(F)(F)F)c1 1703051 DISXDOUPJHUOMQ-UHFFFAOYSA-N 240.202 2.044 0 40 BEAB CC(C)CCNC(=O)Cc1nc2ccccc2[nH]1 6313600 PCFGUCVVMKNSFS-UHFFFAOYSA-N 245.326 2.268 0 40 BEAB COCCCNCc1ccc2c(c1)C[C@@H](C)O2 6679749 DXAVLEBTUDGOIZ-LLVKDONJSA-N 235.327 2.136 0 40 BEAB CCOc1ccc(Cl)cc1CNC[C@H](C)O 8324576 CHRDHUMPJYGCJI-VIFPVBQESA-N 243.734 2.209 0 40 BEAB FC(F)(F)c1nc(Cl)nc2nc[nH]c12 8764177 LTDVDSQMYOWJEV-UHFFFAOYSA-N 222.557 2.025 0 40 BEAB CC(=O)N[C@@H]1CCSc2ccccc21 12879109 JMNCBCYPWNFXHQ-SNVBAGLBSA-N 207.298 2.360 0 40 BEAB O=C(CN1CCCCCC1=O)Nc1ccccc1 12945913 ZUWKAWURFBLOTQ-UHFFFAOYSA-N 246.310 2.028 0 40 BEAB CCNS(=O)(=O)c1ccc([C@@H](C)CC)cc1 13938536 ZDBODMBZWQHRPG-JTQLQIEISA-N 241.356 2.498 0 40 BEAB CCc1noc(COc2ccc(C=O)cc2)n1 20253972 CHEHFUAKNROMKF-UHFFFAOYSA-N 232.239 2.024 0 40 BEAB O=C(O)/C=C/c1c[nH]c2cc(F)ccc12 20269234 ZJQAEZVFMQFBPD-DAFODLJHSA-N 205.188 2.405 0 40 BEAB Cc1sc(N)nc1-c1ccc(O)cc1 28014904 FZUXZFUGQLRWIN-UHFFFAOYSA-N 206.270 2.406 0 40 BEAB CN1CCc2c([nH]c3cc(F)ccc23)C1 34925340 QODRDDGJXSQNFK-UHFFFAOYSA-N 204.248 2.295 0 40 BEAB NCCc1ncc(-c2ccc3c(c2)CCC3)o1 36162022 IQALLERGYOAGRQ-UHFFFAOYSA-N 228.295 2.332 0 40 BEAB CN(C)c1ccc(C(=O)CCCC(=O)O)cc1 36203151 DVNXKZVNVLNILY-UHFFFAOYSA-N 235.283 2.190 0 40 BEAB N=C(N)NC1CCC2(CCCCC2)CC1 44460142 YITKIFFIJUQFRY-UHFFFAOYSA-N 209.337 2.363 0 40 BEAB Cc1ccc(NC(=O)c2ccn[nH]2)cc1F 47987176 HKLHGYLEMCYPLC-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB Fc1ccc(COC[C@H]2CCCN2)cc1 51816506 PBOWRMRZFMBMJH-GFCCVEGCSA-N 209.264 2.094 0 40 BEAB OC1(Cc2ccc(Cl)cc2)CCOCC1 63076822 XGKFQWJCIBHFHA-UHFFFAOYSA-N 226.703 2.424 0 40 BEAB CCOC(=O)C[C@@H](C(C)C)N1CCCCC1 70824305 OGBNOQILFZFLAS-LBPRGKRZSA-N 227.348 2.450 0 40 BEAB CC(C)=CCN1CCCC[C@H]1Cn1cncn1 71876230 UQRWVBUAKSUPMD-ZDUSSCGKSA-N 234.347 2.099 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1F 71899795 NPSFRUGKWZCSFS-LDYMZIIASA-N 239.265 2.280 0 40 BEAB CCOc1ccccc1C1=NO[C@@](C)(C(=O)O)C1 71981074 UEMQOSLNHCWRRS-CYBMUJFWSA-N 249.266 2.053 0 40 BEAB CC(C)[C@@H](N)[C@@H](CC(=O)O)c1ccccc1 72208296 FMIBFCOBLJOMLW-WCQYABFASA-N 221.300 2.228 0 40 BEAB CC[C@H](O)c1cnc(N(C)CC)c(C)c1 72222200 JAIWVIQOINHHPB-NSHDSACASA-N 208.305 2.290 0 40 BEAB O=C(O)c1ccc(C2=Nc3ccccc3CN2)o1 72329985 GRIJEFHGVWUVJM-UHFFFAOYSA-N 242.234 2.159 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1cc[nH]n1 72350826 JEYCLTPQDSKGBC-YPMHNXCESA-N 245.326 2.430 0 40 BEAB c1ccc(CCN2CC[C@@H](c3cc[nH]n3)C2)cc1 72381576 ZCWBNXPAYIFICZ-CQSZACIVSA-N 241.338 2.442 0 40 BEAB C[C@H](CC(=O)NCCCC(=O)O)C(C)(C)C 82627997 NFDOOUNYLMBHEX-SECBINFHSA-N 229.320 2.040 0 40 BEAB O=C(OC1(C2CC2)CC1)c1ccccn1 83770437 NIFSNHONUWTSIA-UHFFFAOYSA-N 203.241 2.181 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCc1cc(F)ccc1F 84686910 GYWCRMAOCIDPNC-XVKPBYJWSA-N 225.238 2.237 0 40 BEAB C[C@@H](Cc1cncc2ccccc12)C(=O)O 87925531 XMFZCMFRPYPBSN-VIFPVBQESA-N 215.252 2.498 0 40 BEAB CC1(C)CCC[C@@H]1N[C@H]1CCc2[nH]ncc2C1 90455938 UPHVXGLVJPZUKY-AAEUAGOBSA-N 233.359 2.435 0 40 BEAB Cc1ccc(NC(=O)NCc2ncc[nH]2)s1 95439438 UBDLRJAHJYUUQA-UHFFFAOYSA-N 236.300 2.101 0 40 BEAB CC(C)c1nc2nccc(-c3ccncc3)n2n1 95479522 SXUUNZZXWCWSDN-UHFFFAOYSA-N 239.282 2.310 0 40 BEAB CC[C@@H](C(=O)c1ccc(C)cc1)S(C)(=O)=O 96518041 CCXVCLQAXRFYEY-NSHDSACASA-N 240.324 2.001 0 40 BEAB Cc1ncnc(-c2cccc(CC(=O)O)c2)c1C 96877860 NDDKZIDQJDXLEU-UHFFFAOYSA-N 242.278 2.388 0 40 BEAB CC[C@H](NN)c1ccc(C(F)(F)F)cn1 97684390 REYDDEHAGIFBQF-ZETCQYMHSA-N 219.210 2.015 0 40 BEAB CO[C@@H]1CCCCC[C@H]1NC(=O)C(C)(C)C 98018996 MOGVSUMPPDKTOI-GHMZBOCLSA-N 227.348 2.496 0 40 BEAB CC1(C)CCC(=O)N(Cc2ccccc2)C1=O 98174838 CDGJPYJBPLGKOQ-UHFFFAOYSA-N 231.295 2.362 0 40 BEAB C[C@@H](NC(=O)C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 102583014 XUKIOVWVGJVCDC-LLHIFLOGSA-N 207.317 2.337 0 40 BEAB C[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2)C[C@@H]1C 129544329 QNBVJVUNGNGMDR-DYEKYZERSA-N 246.354 2.191 0 40 BEAB C[C@H](CCO)CNc1noc(-c2ccccc2)n1 157782955 QGPDZACCOOGBKM-SNVBAGLBSA-N 247.298 2.167 0 40 BEAB CCOC(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2 216815384 JFUPACLSKQOLDS-KIPDHUPVSA-N 237.343 2.093 0 40 BEAB COC(=O)[C@]1(C)CC[C@](C)(C(=O)O)C1(C)C 217720015 HGTOFGDHNFUVAG-NEPJUHHUSA-N 228.288 2.077 0 40 BEAB CNCc1cccn1-c1cccc(OC)c1 223688215 MCECLROJIAOZJA-UHFFFAOYSA-N 216.284 2.205 0 40 BEAB CCO[C@@H](Cc1ccc(C)cc1C)C(=O)O 225026936 ACSSGJSMTNOCRI-LBPRGKRZSA-N 222.284 2.336 0 40 BEAB CCc1ncnc(Nc2ccc(NC)nc2)c1F 271214955 TWAZWGOTMPAVRQ-UHFFFAOYSA-N 247.277 2.358 0 40 BEAB CCOC(=O)[C@@H]1CC[C@H](C)N(CCF)[C@@H]1C 521396530 SGRNZRBNJMPRFV-HBNTYKKESA-N 231.311 2.008 0 40 BEAB CC(=O)C[C@@H](O)c1ccc2ccccc2n1 518333 PAIBIOZTYPEIRM-CYBMUJFWSA-N 215.252 2.247 0 40 BEAB CC(C)c1ccc2oc(N)c(C=O)c(=O)c2c1 2573972 DIIFIVCMZHKOEF-UHFFFAOYSA-N 231.251 2.311 0 40 BEAB Cc1cccc(Cn2cc(Cl)c(N)n2)c1 2578493 NZOVZLFJCJGLKB-UHFFFAOYSA-N 221.691 2.475 0 40 BEAB in-vitro COc1ccc2[nH]cc(CCSC(=N)N)c2c1 3905257 DNTKKNOEHPPWPW-UHFFFAOYSA-N 249.339 2.346 0 40 BEAB CCOC(=O)[C@@H](C(=O)CC(C)C)C(C)C 5575462 OTGHQCUPQMXJRO-LLVKDONJSA-N 214.305 2.437 0 40 BEAB O=C(Nc1ccc2c(c1)CCC2)C1=COCCO1 5611295 DSHBTXYOZGBNRT-UHFFFAOYSA-N 245.278 2.002 0 40 BEAB CCc1nn2c(-c3ccco3)nnc2s1 6668738 DHQIAFOZGKKYEG-UHFFFAOYSA-N 220.257 2.008 0 40 BEAB Cc1ccc2nc(C)c(-c3cc[nH]n3)n2c1 6694406 FLABUTFVIDAMFH-UHFFFAOYSA-N 212.256 2.341 0 40 BEAB in-vitro O=S(=O)(Nc1nccs1)c1cccs1 11615781 QCZOBWPJWSPRIQ-UHFFFAOYSA-N 246.338 2.005 0 40 BEAB COC(=O)c1cccc(-c2ccc(CO)o2)c1 16194282 LRBNVLOOHNPMJG-UHFFFAOYSA-N 232.235 2.226 0 40 BEAB CCn1nccc1C(=O)N1[C@@H](C)CCC[C@H]1C 16971817 ZMPPDKFIWULAEH-PHIMTYICSA-N 235.331 2.306 0 40 BEAB N[C@H]1CCCN(CCCc2ccccc2)C1 19735527 FMZXIQOBASQCON-AWEZNQCLSA-N 218.344 2.042 0 40 BEAB in-vitro CC(C)c1ccc(C2=NO[C@H](C(=O)O)C2)cc1 20594094 ZJWKFUQHRGKTOA-LBPRGKRZSA-N 233.267 2.388 0 40 BEAB COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@H]1C 25762024 XUUOEWPYCMSNCP-YPMHNXCESA-N 247.338 2.318 0 40 BEAB CCCC(=O)Nc1cc(C(C)(C)C)nn1C 32739359 GPBBFFHSSQUYDI-UHFFFAOYSA-N 223.320 2.456 0 40 BEAB C[C@H]1CN(c2ncnc3ccccc23)[C@@H](C)CO1 32803916 AWSDCGJYXVSDQE-QWRGUYRKSA-N 243.310 2.243 0 40 BEAB NC1(C(=O)OCc2ccccc2)CCCCC1 34493267 JBCMPTHWXJGFJC-UHFFFAOYSA-N 233.311 2.391 0 40 BEAB CC[C@H](C)N(CCC(=O)O)C(=O)OC(C)(C)C 34929462 BGBJMNJGSIVYKJ-VIFPVBQESA-N 245.319 2.497 0 40 BEAB OCCOc1ccccc1C(F)(F)F 35200209 IDDALPBLIMDOHI-UHFFFAOYSA-N 206.163 2.077 0 40 BEAB in-vitro Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)on1 36397024 BVSDJIYJEIOLEJ-SECBINFHSA-N 224.304 2.490 0 40 BEAB COc1ccccc1CN[C@H]1CCCC[C@@H]1O 37490777 MXMLMFXYNJBSSN-STQMWFEESA-N 235.327 2.088 0 40 BEAB Brc1nccn1[C@H]1CCCCO1 38538296 YYBSLCMICUQPIA-SSDOTTSWSA-N 231.093 2.345 0 40 BEAB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2C1=O 39330944 JMZQAOHFIUWTRD-OCAPTIKFSA-N 218.252 2.248 0 40 BEAB Cc1cc(C(=O)NCc2ccc(C)s2)no1 40541726 CXDLEKBUTMRSRC-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB CCN(Cc1cccs1)[C@H](C)C(=O)O 42487894 BIDFHZIGSAERHP-MRVPVSSYSA-N 213.302 2.043 0 40 BEAB Fc1ccc(COC[C@@H]2CCNC2)c(F)c1 42773945 KRAOEYRGRIHHJO-SECBINFHSA-N 227.254 2.091 0 40 BEAB O=C(O)c1nc2cccc(Cl)n2c1Cl 44676339 OMBATAGDYCDDMJ-UHFFFAOYSA-N 231.038 2.339 0 40 BEAB Cc1cc(C)cc(NC(=O)c2cccc[n+]2[O-])c1 46085512 QBZBEEVRMQBLQM-UHFFFAOYSA-N 242.278 2.189 0 40 BEAB O=C(Nc1cccnc1)Nc1nccs1 48870216 WFDQXLOEDOVKDG-UHFFFAOYSA-N 220.257 2.182 0 40 BEAB Oc1ccc(OCCOCC(F)(F)F)cc1 49311443 HDOHLDCZNCRNDD-UHFFFAOYSA-N 236.189 2.350 0 40 BEAB Cc1cc(Br)c2oc(N)nc2c1 52066072 MWEUSQJDAZWSRG-UHFFFAOYSA-N 227.061 2.481 0 40 BEAB COCCN(Cc1ccccc1F)C1CC1 53420518 HMTHTJVARLVNAK-UHFFFAOYSA-N 223.291 2.437 0 40 BEAB CC(C)c1nnc(SCCCO)n1C1CC1 69433785 SHODEOAZBVFAJL-UHFFFAOYSA-N 241.360 2.211 0 40 BEAB Cn1ccnc1[C@@H](N)C1(c2ccccc2)CC1 69473902 MRZWKRWGHNCNLH-GFCCVEGCSA-N 227.311 2.152 0 40 BEAB O=C(O)Cc1cc(F)ccc1OC(F)(F)F 71867290 PXFXODIBVVHYJW-UHFFFAOYSA-N 238.136 2.351 0 40 BEAB COC(=O)c1ccc(-c2ccc(CO)cn2)cc1 72190665 LDDGTWKKGGTSIS-UHFFFAOYSA-N 243.262 2.028 0 40 BEAB Cc1ncccc1NC(=O)c1ccc(C)n1C 73355863 YLEFEACKRQCJAQ-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H](N)C2(CCCC2)C1 82327532 YVIQTBXNODXXGZ-SNVBAGLBSA-N 240.347 2.125 0 40 BEAB O=C(O)C(=O)c1c[nH]c2cccc(Cl)c12 82362005 HUSBDMYWWGMONW-UHFFFAOYSA-N 223.615 2.089 0 40 BEAB c1cn2c(n1)[C@@H](CNCc1cscn1)CCC2 84613352 IPZLFONVGNVKOA-SNVBAGLBSA-N 248.355 2.007 0 40 BEAB Nc1nn(-c2ccccc2F)nc1C(F)(F)F 89262559 RRSMDQZJXOYDDB-UHFFFAOYSA-N 246.167 2.007 0 40 BEAB CSc1cc(F)c(C(=O)O)c(F)c1 90413679 NYNCWCGBEFQUFH-UHFFFAOYSA-N 204.197 2.385 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@H]2CCCN[C@H]2C)c1 91496547 URYYTKGBFRLNNV-JSGCOSHPSA-N 246.354 2.174 0 40 BEAB C/C=C/C=C/C(=O)Nc1cc(OC)ccn1 95446325 FKYSCNPMWCSIDP-VNKDHWASSA-N 218.256 2.161 0 40 BEAB CC(C)=CC(=O)N[C@H](c1nccc(C)n1)C1CC1 96487321 KOKIHSRDTBFQQE-ZDUSSCGKSA-N 245.326 2.319 0 40 BEAB Cc1ocnc1CNC(=O)CC1=CCCCC1 96487334 NKPOUOPNFVXUSJ-UHFFFAOYSA-N 234.299 2.490 0 40 BEAB C[C@H]1COC[C@@H](C)N1C(=O)C1[C@H]2CCCC[C@H]12 102036285 UTNHAFKBJSVKNM-USZNOCQGSA-N 237.343 2.058 0 40 BEAB FC(F)Cn1cc(CNCc2ccco2)cn1 256050740 GIAVLRRFCGEMOI-UHFFFAOYSA-N 241.241 2.031 0 40 BEAB CCCn1cc(CNCc2cccc(O)c2)cn1 256051472 JHBSZRCBEQEPAG-UHFFFAOYSA-N 245.326 2.289 0 40 BEAB COC(=O)CCC(=O)c1sccc1C 259289568 VLNJPAPKWCFCQO-UHFFFAOYSA-N 212.270 2.192 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cccs1 382699382 NEKAXTARRKRYTG-UHFFFAOYSA-N 212.270 2.273 0 40 BEAB CCc1cccnc1C(=O)N(C)c1nccs1 535747588 QKKSWYLKRSHOSP-UHFFFAOYSA-N 247.323 2.377 0 40 BEAB CCOC(=O)c1c(C(F)F)nc2ccccn12 601706197 USTYNHQUXWECKJ-UHFFFAOYSA-N 240.209 2.449 0 40 BEAB CC(C)(C)NC(=O)N1[C@H]2CC[C@H]1CC(F)C2 1775985938 JZVYVOPZPFIGKK-UWVGGRQHSA-N 228.311 2.459 0 40 BEAB c1csc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)n1 1889061772 PRHRPPBPFVVFSE-PHIMTYICSA-N 249.383 2.064 0 40 BEAB Cc1[nH]cc2c1C(c1ccccc1)=NCC(=O)N2 1565654 USVSPFRJTFLOCQ-UHFFFAOYSA-N 239.278 2.113 0 40 BEAB CCOC1=Nc2ccccc2[C@]1(C)CCO 1590748 ZQSXTLDAMMTLFT-ZDUSSCGKSA-N 219.284 2.407 0 40 BEAB CCOC(=O)N[C@H](C)CCCN(CC)CC 1690145 DSNGKTLFGUTLPW-LLVKDONJSA-N 230.352 2.243 0 40 BEAB CN1CCC2(CC1)CC(=O)c1ccccc1O2 4383922 DCENWWFAIVPRAC-UHFFFAOYSA-N 231.295 2.116 0 40 BEAB in-vitro C[C@@H](CC(=O)O)CC(=O)N[C@H](C)c1ccccc1 4690888 IFZUSRLWTZPENL-GHMZBOCLSA-N 249.310 2.365 0 40 BEAB COc1cc(=O)nc(-c2ccc(Cl)cc2)o1 5511997 BFOWMPNNJDKBJF-UHFFFAOYSA-N 237.642 2.364 0 40 BEAB COC(=O)c1ccc(C)c(NC(=O)C2CC2)c1 5610024 OHXGQZUGGOOWEC-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB NCCc1csc(-c2ccc(F)cc2)n1 11956022 VUPHZCXRUWCAMD-UHFFFAOYSA-N 222.288 2.450 0 40 BEAB in-vitro O[C@]1(c2ccncc2)CCc2ccccc21 12940604 OHMYJENBKYRFGD-AWEZNQCLSA-N 211.264 2.264 0 40 BEAB Cc1cc(CO)n(-c2ccc(Cl)cc2)n1 19045827 OQHKKYHXEKCCHB-UHFFFAOYSA-N 222.675 2.326 0 40 BEAB COc1ccccc1Oc1cc(C(=N)N)ccn1 19434691 GPYPXHWHXTXIED-UHFFFAOYSA-N 243.266 2.167 0 40 BEAB in-vitro CC(C)CNCCCN1CCCC[C@H]1C 19912957 ASPYMTATKKHQCA-CYBMUJFWSA-N 212.381 2.497 0 40 BEAB CCCOc1ccc(CNCCOC)cc1 20085563 XJSMGWFXGTVHLS-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB CC(=O)Nc1nc(C)c(-c2ccccn2)s1 21195475 DJNSLEWPEAJWOY-UHFFFAOYSA-N 233.296 2.472 0 40 BEAB COc1ccccc1C(=O)NCCc1ccco1 21475209 KZIIZGCNHZHGCH-UHFFFAOYSA-N 245.278 2.261 0 40 BEAB Cc1cc(COC(=O)c2cc(Cl)c[nH]2)no1 25199658 IFFAOIZTNYDDCA-UHFFFAOYSA-N 240.646 2.322 0 40 BEAB Cc1cc(=O)c(C2=NCCCCC2)c(O)o1 27300779 VDNJDIIXVOMNME-UHFFFAOYSA-N 221.256 2.017 0 40 BEAB CC(C)NC(=O)c1ccc(OC(C)C)nc1 32477097 IZFKDJTUOHTKMF-UHFFFAOYSA-N 222.288 2.007 0 40 BEAB CCN(CC)CC(=O)Nc1cc(F)ccc1F 32682292 XGYUFZIOGFBNHI-UHFFFAOYSA-N 242.269 2.245 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccsc1 32741261 QIEVYYLQLIJXFZ-PSASIEDQSA-N 209.314 2.363 0 40 BEAB CCC[C@H](C)NC(=O)[C@H]1Cc2ccccc2O1 32768138 WMQZZYADZSJOTQ-GXFFZTMASA-N 233.311 2.295 0 40 BEAB CCOC(=O)CC(=O)c1ccc2ncccc2c1 34445307 YSGRFRZNMXBSBW-UHFFFAOYSA-N 243.262 2.371 0 40 BEAB COc1cccc(C(=O)c2ccccn2)c1 37463980 YBVDKZSACQCHFA-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB COc1cc(CO)cc(C(F)(F)F)c1 38529815 ROACFQURKLEGKL-UHFFFAOYSA-N 206.163 2.206 0 40 BEAB CN1CCO[C@@H]1c1ccccc1Br 39405692 HDQISVZIHFZWEY-SNVBAGLBSA-N 242.116 2.410 0 40 BEAB Cc1ccc(C(=O)NCc2nccs2)cc1 41528783 PVAQQMRTQOUCTC-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB Cc1ccc(CNC(=O)C(C)(C)C)cn1 49200349 GOWFVJRYLWEPIO-UHFFFAOYSA-N 206.289 2.052 0 40 BEAB C[C@@H](NC(=O)NCC1CC1)c1ccccc1 57536048 LCENRITYTJNFJP-SNVBAGLBSA-N 218.300 2.457 0 40 BEAB NC1CCN(Cc2cc(F)c(F)c(F)c2)CC1 62719117 RQPBXNQYQPMMHE-UHFFFAOYSA-N 244.260 2.027 0 40 BEAB C[C@@]1(C(=O)O)CCCN(C(=O)c2ccccc2)C1 62868171 PFWPNYSMOFPUPV-CQSZACIVSA-N 247.294 2.014 0 40 BEAB in-vitro CCCNC(=O)NCCCOC1CCCCC1 70870057 XIPKIYDXFDCHSH-UHFFFAOYSA-N 242.363 2.435 0 40 BEAB CCOC(=O)[C@H]1CC=CN1C(=O)OC(C)(C)C 71973982 AZVLZXHTXUIWRZ-SECBINFHSA-N 241.287 2.073 0 40 BEAB CCOc1ccccc1C1=NO[C@](C)(C(=O)O)C1 71981075 UEMQOSLNHCWRRS-ZDUSSCGKSA-N 249.266 2.053 0 40 BEAB CC(C)NCc1ccnc(Br)c1 72194571 HUNIAICFZLLCMA-UHFFFAOYSA-N 229.121 2.342 0 40 BEAB CCN1CCC[C@H]1c1ccc(N(C)C)nc1 72212588 QWHIRYRSSNOGCQ-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB COC(=O)c1cc(OCC(C)=O)c2ccoc2c1 72228363 UZTGUAJDEOTRRQ-UHFFFAOYSA-N 248.234 2.187 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](O)C1 72233470 YEWSLYNGBGAZEV-GFCCVEGCSA-N 249.310 2.471 0 40 BEAB O=C(C1CC=CC1)N1CCC[C@H](c2ccn[nH]2)C1 72293483 ZCXMDOXWWNEING-LBPRGKRZSA-N 245.326 2.082 0 40 BEAB CC[C@H](C(=O)OC1COC1)c1ccccc1 78612883 ZYLGNHFOEGREAI-LBPRGKRZSA-N 220.268 2.122 0 40 BEAB Cc1cc(C)c(C)c([S@@](=O)CCO)c1C 79112090 RLAKJNSGADUADV-OAHLLOKOSA-N 226.341 2.020 0 40 BEAB NCc1cc2cccnc2cc1Br 82164036 XSHZBEAGEJEDLP-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB C[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 82306123 KPIJBNIEQKRTLM-OCCSQVGLSA-N 246.354 2.206 0 40 BEAB Cc1ccccc1NC(=O)[C@H]1CCCN(C)C1 82320754 LXAXRHOIOFKQQS-LBPRGKRZSA-N 232.327 2.275 0 40 BEAB CC(C)(CNc1cccc(F)c1)C(=O)O 82551797 VVXFSVRVUBFLIB-UHFFFAOYSA-N 211.236 2.348 0 40 BEAB Brc1ncccc1O[C@@H]1CCOC1 83454462 NEGUYDTYMGKHMB-SSDOTTSWSA-N 244.088 2.012 0 40 BEAB Cc1ccc(I)cc1C=O 85223404 KGSUBBGMCCOXKF-UHFFFAOYSA-N 246.047 2.412 0 40 BEAB Cc1cc(C(=O)N[C@H]2CCCc3occc32)[nH]n1 89568626 LGHLVJKBQXNNCK-JTQLQIEISA-N 245.282 2.119 0 40 BEAB OC[C@H]1CCCN1c1ccnc2ccsc12 89884868 WAFUDTXEQIGKAA-SECBINFHSA-N 234.324 2.257 0 40 BEAB O=C(OCC(F)(F)C(F)F)c1ccncc1 89884920 FXRMMFGZZUGDGG-UHFFFAOYSA-N 237.152 2.139 0 40 BEAB COC(=O)c1ccnc(N2CCCC[C@@H]2C)c1 95947633 FBZXMEWNGPEFKT-JTQLQIEISA-N 234.299 2.247 0 40 BEAB CCC(CC)CN[C@@H]1CCCn2ncnc21 96493684 GOEJATNWGOIUMU-LLVKDONJSA-N 222.336 2.139 0 40 BEAB Cc1cccc(NC(=O)NC2(C)CCC2)n1 97142767 ULZOPPCWGKPNQV-UHFFFAOYSA-N 219.288 2.454 0 40 BEAB O=C(O)c1ccc(-c2noc(C(F)F)n2)cc1 98210206 XEKGXUYBNOOCBV-UHFFFAOYSA-N 240.165 2.372 0 40 BEAB CC(=O)C(SC(F)(F)Cl)C(C)=O 100041291 LVRPCCNXPLRVFI-UHFFFAOYSA-N 216.636 2.055 0 40 BEAB Cl[C@]12O[C@@]3(Cl)[C@@H]4[C@H]5[C@H]6C[C@H]([C@H]5[C@@H]41)[C@@H]2[C@@H]63 103930063 OIMJINRBJIBPOJ-OSFOYDBCSA-N 229.106 2.275 0 40 BEAB C[C@H](NC[C@@H](C)O)C(C)(C)c1ccc(F)cc1 170077903 AHIOWPRZCABDKA-MNOVXSKESA-N 239.334 2.462 0 40 BEAB CCOc1ccc(N[C@H]2CCC[C@H]2N)cc1 218877670 ADZZSJMQSBBVFR-OLZOCXBDSA-N 220.316 2.377 0 40 BEAB COC(=O)c1nc(Cc2ccccc2)c(C)[nH]1 1857793227 QVLUHVIKBZLQRA-UHFFFAOYSA-N 230.267 2.096 0 40 BEAB CCc1cc(C(=O)Nc2cccc(F)c2)ncn1 1889130263 KEIYNIDGUGBILI-UHFFFAOYSA-N 245.257 2.430 0 40 BEAB CN1[C@H]2CCC[C@@H]1CC(OC(=O)c1ccco1)C2 526637 GGHICGWVZFRCPF-FOSCPWQOSA-N 249.310 2.452 0 40 BEAB CC(=O)Nc1ccc(O)c(Br)c1 1596846 YZUMPSIXWJTNQM-UHFFFAOYSA-N 230.061 2.113 0 40 BEAB C[C@H]1C[C@@H](OC(=O)CCN2CC2)CC(C)(C)C1 1614820 FIZYQWPPYSBTPE-NWDGAFQWSA-N 239.359 2.450 0 40 BEAB CCCN1CO[C@H](OCC)C(C)(C)C1 2030038 YXZRGBBOIIYUQF-JTQLQIEISA-N 201.310 2.075 0 40 BEAB CNCc1ccc(OC(F)F)c(OC)c1 3300992 QVPRKRPFUOCRID-UHFFFAOYSA-N 217.215 2.016 0 40 BEAB in-vitro COc1ccc(C)cc1NC(=O)c1cc(C)n[nH]1 6736873 FJTLECYGCWZQJE-UHFFFAOYSA-N 245.282 2.287 0 40 BEAB O=C(O)c1c(Cl)cnn1C1CCCC1 12357791 PAWGGENWLINYCI-UHFFFAOYSA-N 214.652 2.350 0 40 BEAB in-vitro Cn1ccnc1SC[C@H]1CCCCO1 13204977 WUDQBRQPFHQCPZ-SECBINFHSA-N 212.318 2.081 0 40 BEAB NCCNCc1ccc(Cl)cc1Cl 19366244 SVWLNEWGIBUSGD-UHFFFAOYSA-N 219.115 2.042 0 40 BEAB O=C(O)c1cnc(N2CCCC2)c(Cl)c1 19844536 HDCDDGUJIBDWJF-UHFFFAOYSA-N 226.663 2.033 0 40 BEAB C[C@@H](N)[C@@H](O)c1ccc(Cl)cc1Cl 20216936 MJRZLMVDAYXNBF-MLUIRONXSA-N 220.099 2.374 0 40 BEAB CCCCNC(=O)Nc1ccc(C(=O)O)cc1 20256522 HXHWWLZVCKDTIW-UHFFFAOYSA-N 236.271 2.306 0 40 BEAB CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 21557354 KPRSAUFJTJAJBF-AWEZNQCLSA-N 249.310 2.291 0 40 BEAB O[C@@H](Cc1ccccc1)CN1CCCCC1 27987693 SMQUSTNLDMFVRG-AWEZNQCLSA-N 219.328 2.076 0 40 BEAB Cc1cc(-c2ccc(F)cc2)nc(N)n1 32516099 LVFUVUOGVOZJOY-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB COc1cc(S)cc(OC)c1OC 34497035 BLFIUDXNGYVYMP-UHFFFAOYSA-N 200.259 2.001 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CCC2=O 38953155 SJGXXUBCKFNNGB-BDAKNGLRSA-N 225.288 2.117 0 40 BEAB COc1ccc(O[C@H]2CCNC2)c(Cl)c1 42775210 BFZCDKCGQBYEBW-VIFPVBQESA-N 227.691 2.089 0 40 BEAB Cc1cc(CNC[C@H]2CCCCO2)ccc1N 42825456 KDJIWEPGZIOCOW-CYBMUJFWSA-N 234.343 2.236 0 40 BEAB in-vitro C[C@H](C(=O)O)[C@H](N)c1ccc(Cl)cc1 44396305 AXYXMBPSIPRCSF-RCOVLWMOSA-N 213.664 2.061 0 40 BEAB CCN(CC[C@@H]1CCCNC1)Cc1ccncc1 51919484 IDELVAFMEUDTNS-AWEZNQCLSA-N 247.386 2.293 0 40 BEAB CCOCCCNC(=O)Nc1ccccc1 60487145 DMKXEGMDHIDQSN-UHFFFAOYSA-N 222.288 2.235 0 40 BEAB Cn1nc(C(F)F)c2cc(C(=O)O)sc21 61629053 CMJKZRUOCIQZHG-UHFFFAOYSA-N 232.211 2.271 0 40 BEAB in-vitro N[C@@H](c1ccc(F)cc1)C1CCOCC1 61671342 YLPBABRLRUVRGD-LBPRGKRZSA-N 209.264 2.252 0 40 BEAB C[C@H](N)CCNC(=O)c1csc2ccccc12 63169881 YKEKSENTVHAWQH-VIFPVBQESA-N 248.351 2.368 0 40 BEAB CC[C@H](COC)NCc1ccc(F)cc1 70623684 QHYRPEFSPGOCIR-GFCCVEGCSA-N 211.280 2.340 0 40 BEAB O=CN1CCCC[C@@H]1c1ccc(=S)[nH]c1 72217034 IJDOIDWNNKPVRY-SNVBAGLBSA-N 222.313 2.428 0 40 BEAB Cc1ccc(C)c(C(=O)NCC[C@H](O)C2CC2)c1 77107518 GABPNUXYEJYEDR-AWEZNQCLSA-N 247.338 2.194 0 40 BEAB CCN(C[C@H]1CCCNC1)C(=O)OC(C)(C)C 79437608 LXQBAFPDAGXQOB-NSHDSACASA-N 242.363 2.243 0 40 BEAB COc1ccc2c(CC(C)(C)N)c[nH]c2c1 82368287 RCJYPBFBHNOTPS-UHFFFAOYSA-N 218.300 2.456 0 40 BEAB CON[C@H]1CCCOc2cc(C)ccc21 85345032 PQHLINNQIXBKHT-NSHDSACASA-N 207.273 2.360 0 40 BEAB O=C(c1ccccn1)N1CCC[C@H]2CCC[C@H]21 89878937 CUHFTDHMAGGXSP-DGCLKSJQSA-N 230.311 2.486 0 40 BEAB CCO[C@@H](CC)C(=O)Nc1ccccc1O 95442658 CQZHACWJVSTDBM-NSHDSACASA-N 223.272 2.146 0 40 BEAB CCN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100177506 CENLFVKCFRNZIL-PHIMTYICSA-N 242.363 2.432 0 40 BEAB CCc1nsc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1 102339340 DUFRWLZIHVFZCS-HTQZYQBOSA-N 223.345 2.193 0 40 BEAB COC(CN1Cc2ccccc2C[C@@H]1C)OC 189047158 WMOUYRIFBVZTHV-NSHDSACASA-N 235.327 2.052 0 40 BEAB Cc1cnc([C@H]2CCCN2CC2CC2)[nH]1 205687391 KUQRCWCEMITSTN-LLVKDONJSA-N 205.305 2.265 0 40 BEAB Cc1cc2c(o1)C[C@H](C(F)F)C[C@@H]2O 217646668 GKRRKYGITKISPK-SVRRBLITSA-N 202.200 2.449 0 40 BEAB CC(C)COc1nn(C)c2cc(CN)ccc12 225772746 LXAYUZDNPAKACB-UHFFFAOYSA-N 233.315 2.067 0 40 BEAB Cn1nc(OCc2ccco2)c2cc(N)ccc21 225775188 NMRQTEATZHLLJS-UHFFFAOYSA-N 243.266 2.328 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](CO)[C@H]12 242688461 VQLQJLNARBICNV-ZOZBQHSOSA-N 238.249 2.218 0 40 BEAB CCCCNCc1ccnn1C(F)F 256054554 WUAMLJDMEOIFTB-UHFFFAOYSA-N 203.236 2.168 0 40 BEAB Cc1nc(N[C@H]2CCSC2)c2cc[nH]c2n1 328613685 QNWXKCXQANBXIY-QMMMGPOBSA-N 234.328 2.184 0 40 BEAB COC(=O)CCC(=O)c1ccc(C)cc1F 381444966 AUCKUQDPCCIHPA-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB CC[C@H](C)N1CC(Cn2cc(Cl)cn2)C1 1848873578 YZRCEWBTJADOGY-VIFPVBQESA-N 227.739 2.267 0 40 BEAB COc1cccc2c(CO)ccc(OC)c12 189054 JFMCSPWDESDAHH-UHFFFAOYSA-N 218.252 2.349 0 40 BEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCO1 1054234 UXYQSLYRJLGZGN-ZWNOBZJWSA-N 231.295 2.143 0 40 BEAB FC(F)(F)c1cc(Cl)c2nncn2c1 1397512 XVQOKOYHCGZDND-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB C=Cc1cc(=O)oc2cc(OC)ccc12 1581491 UOTMEGIJTBSCTE-UHFFFAOYSA-N 202.209 2.445 0 40 BEAB Cn1cccc1C(=O)NC1CCCCCC1 3414497 LUYLNJFWOBUKPM-UHFFFAOYSA-N 220.316 2.478 0 40 BEAB CCOCC(=O)NC12CC3CC(CC(C3)C1)C2 3897585 RWQMIZPNBBYOLE-UHFFFAOYSA-N 237.343 2.108 0 40 BEAB CC(=O)OC[C@H]1CCC[C@@H](C)[C@H]1COC(C)=O 4353031 NZYGHSMLNBLDBT-OASPWFOLSA-N 242.315 2.165 0 40 BEAB CCCNC(=O)[C@@H](CC)Oc1ccccc1 4696105 FMTQZZBRSZJVCD-GFCCVEGCSA-N 221.300 2.370 0 40 BEAB CC(=O)CC[C@@]1(C(=O)O)CCCCCCC1=O 5119314 WCGMTSLRPMKDJA-ZDUSSCGKSA-N 240.299 2.350 0 40 BEAB CN1C(=O)S/C(=C\c2cccs2)C1=O 5376144 XYRZEXYUUGMLHM-ALCCZGGFSA-N 225.294 2.414 0 40 BEAB O=C1CSC(=O)N1CCCc1ccccc1 6281449 QAAPPPOKFFBNAM-UHFFFAOYSA-N 235.308 2.315 0 40 BEAB Cc1nonc1NC(=O)c1ccc(Cl)cc1 8915133 ASJJNAORLRYSNU-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB CC(C)NC(=O)NCCc1ccc(F)cc1 12953726 BAAPZKLBCPYALF-UHFFFAOYSA-N 224.279 2.076 0 40 BEAB COC[C@@H](C)NCc1ccc(Cl)cc1 19904331 MVADOZKFWCGZGZ-SECBINFHSA-N 213.708 2.465 0 40 BEAB Nc1ccc(OCc2cccnc2)c(F)c1 20352213 SXTMWJNDIQFLCR-UHFFFAOYSA-N 218.231 2.382 0 40 BEAB CCc1nnc2ccc(NC3CCCCC3)nn12 32102688 RVRAYUBYJWHUJE-UHFFFAOYSA-N 245.330 2.431 0 40 BEAB CN(Cc1cccnc1)C(=O)c1cc(Cl)c[nH]1 32768348 ATFWMPPIMPSKQO-UHFFFAOYSA-N 249.701 2.335 0 40 BEAB C[C@H]1CN(c2nc3ccccc3n2C)C[C@@H](C)O1 33863904 JRZHYBYMOSOUES-PHIMTYICSA-N 245.326 2.187 0 40 BEAB Cc1n[nH]cc1CNCCc1ccccc1 35273984 MYFLJVSMJUUZNB-UHFFFAOYSA-N 215.300 2.050 0 40 BEAB O=C(CC[C@@H]1CCCO1)NCc1cccs1 40506198 OHYSXVLEKJNGMK-JTQLQIEISA-N 239.340 2.324 0 40 BEAB CCOC(=O)c1cc(N)ccc1NC(C)C 41046091 YCLBWSTVLSQDSH-UHFFFAOYSA-N 222.288 2.266 0 40 BEAB CC(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 41194528 LVCWKYWVXUOHQZ-NEPJUHHUSA-N 225.332 2.203 0 40 BEAB C[C@@H]1CCCN(C(=O)C(C)(C)Br)C1 41720708 QQUWUQKZNJOZKK-MRVPVSSYSA-N 248.164 2.418 0 40 BEAB CC[C@H](C)C[C@H](CC)N[C@@H]1CCN(C)C1 42544790 YTZGWYJAGBGQIG-RWMBFGLXSA-N 212.381 2.495 0 40 BEAB CC[C@H](C)C(=O)Nc1cccnc1-n1cccn1 44912098 DKCIKLAUHJREHG-JTQLQIEISA-N 244.298 2.252 0 40 BEAB Cc1ccccc1C(=O)N1C[C@@H](C)OC[C@@H]1C 45523725 IIICNVPJOBTBDZ-NWDGAFQWSA-N 233.311 2.244 0 40 BEAB Cc1ccc(CNC(=O)Nc2nccs2)cn1 46872088 PQUXIJYVSXBMBK-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB Cc1[nH]ncc1CCCN[C@H](C)c1ccccn1 50182405 PSMVWIZCXHOBLN-GFCCVEGCSA-N 244.342 2.397 0 40 BEAB CCCOC(=O)c1ccc(N)c(Cl)c1 57351486 XPIWQIXZBJGJSX-UHFFFAOYSA-N 213.664 2.489 0 40 BEAB Cc1ccc(CC(=O)O)c(Br)c1 57953340 VENUNMMLXJLOCO-UHFFFAOYSA-N 229.073 2.385 0 40 BEAB CCN(C[C@@H](C)O)C(=O)Nc1cccc(F)c1 58248175 YCCCUTOXSKPDTE-SECBINFHSA-N 240.278 2.060 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)Nc1cn[nH]c1 70036943 HFXUDOWKKVOICJ-VIFPVBQESA-N 242.282 2.393 0 40 BEAB COc1cccc(CN(C)Cc2cc[nH]n2)c1 70040476 SGKHKPOQDTVURR-UHFFFAOYSA-N 231.299 2.050 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CNCC[C@@H]2C)cc1C 71412615 YTODCVWOMCMBMV-SMDDNHRTSA-N 246.354 2.031 0 40 BEAB Cc1cc(S)ncc1[C@H]1CCCCN1 72218333 SSHOVWDIQCNZTL-SNVBAGLBSA-N 208.330 2.493 0 40 BEAB Cc1nc([C@@H]2CCCN2Cc2cccnc2)no1 72357075 SRHGGZOMRDQBEQ-LBPRGKRZSA-N 244.298 2.110 0 40 BEAB CC(C)C(=O)N1CCC[C@@H](c2ccccn2)C1 72361231 MXZUARUVSWGQFS-GFCCVEGCSA-N 232.327 2.444 0 40 BEAB O=Cc1c[nH]c(-c2ccc(F)cc2F)n1 74178242 XMCHOTZPKDRZEA-UHFFFAOYSA-N 208.167 2.167 0 40 BEAB CN(C)c1nccc(N(C)CC(C)(C)C)n1 77215732 DCPOQPBBFLFVEH-UHFFFAOYSA-N 222.336 2.025 0 40 BEAB C[C@]1(c2ccccc2)CCCN(CCCO)C1 79097549 DMEMVZFCBVMKEF-HNNXBMFYSA-N 233.355 2.423 0 40 BEAB C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C2CC2)o1 84688986 IQMZEYDKCVLGQZ-KCJUWKMLSA-N 219.284 2.429 0 40 BEAB Cc1cn(-c2ccc(C=O)cc2F)cn1 85223521 PFMQXOURKMPGNP-UHFFFAOYSA-N 204.204 2.132 0 40 BEAB CCN(CC)[C@](C)(C(=O)OC)c1ccccc1 85393554 GSIZSPDHNNDHLG-AWEZNQCLSA-N 235.327 2.417 0 40 BEAB O=C(c1cccnc1)c1ccnc(Cl)c1 87545369 NUCRQADZIGTFNG-UHFFFAOYSA-N 218.643 2.361 0 40 BEAB in-vitro FC(F)c1nnc(N2CCCC2)s1 89819108 OZCPGDPCNCZSLG-UHFFFAOYSA-N 205.233 2.076 0 40 BEAB c1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2)cc1 90225600 XSMYNCCUVCACAS-LSDHHAIUSA-N 230.355 2.403 0 40 BEAB in-vitro CCOC(=O)c1c(C)nc2c(Cl)cccn12 90411316 FSWKJDUCPKMYFN-UHFFFAOYSA-N 238.674 2.473 0 40 BEAB COC(=O)C(OCc1ccccc1)=C(F)F 90512819 JUVTUXTVLPRIBK-UHFFFAOYSA-N 228.194 2.484 0 40 BEAB CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1CN 91675852 OTKKWUPZYUSFQX-VQXHTEKXSA-N 240.347 2.123 0 40 BEAB CCCOc1c(C)cc(C(N)=O)cc1C 95095307 BJVHQHBOEVOKER-UHFFFAOYSA-N 207.273 2.191 0 40 BEAB CC(C)OCCC(=O)Nc1cccc(O)c1 95431583 OBRRSQISQVKPLN-UHFFFAOYSA-N 223.272 2.146 0 40 BEAB O=C(Nc1scnc1C1CC1)[C@H]1CCCO1 95447525 TVPDXWBGVFWUOW-MRVPVSSYSA-N 238.312 2.138 0 40 BEAB CN(C)C(=O)Sc1ccc(C=O)cc1 95829326 AVYSFQMOPSDSBK-UHFFFAOYSA-N 209.270 2.273 0 40 BEAB in-vitro CN1CCC2(CC1)CN(C)c1c(F)cccc12 96261775 SVLYNGBXNXWHHH-UHFFFAOYSA-N 234.318 2.239 0 40 BEAB CCc1nsc(N[C@H]2CCC[C@]2(C)CO)n1 96455804 ZGMAXQNILZBTFI-GZMMTYOYSA-N 241.360 2.064 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](N)CC1 100088501 IYBJCNYCFNJFKQ-AOOOYVTPSA-N 228.336 2.123 0 40 BEAB Cc1ccc(CN2[C@H]3CC[C@H]2CC(O)C3)o1 107923560 MJJMANXVFNPNPP-QWRGUYRKSA-N 221.300 2.076 0 40 BEAB COc1ccc(CN2CCC([C@H](C)N)CC2)cc1 107957714 SZZHVVLUWPTVSE-LBPRGKRZSA-N 248.370 2.254 0 40 BEAB Nc1cc(Cl)nc(OC(F)(F)F)c1 118589891 AFCXSEPLQMMLSM-UHFFFAOYSA-N 212.558 2.216 0 40 BEAB O=C(O)C[C@@H]1CCc2ccc3c(c21)CCO3 142449955 STJFPPKIYLSEKU-VIFPVBQESA-N 218.252 2.126 0 40 BEAB Cc1sc(Nc2cccnc2)nc1C(=O)O 167697192 QVMFVYCGSPVLLU-UHFFFAOYSA-N 235.268 2.288 0 40 BEAB C[C@@H](c1cccnc1)N(C)Cc1csnn1 183718353 ZKYZKNMGCJFXNF-VIFPVBQESA-N 234.328 2.126 0 40 BEAB CC(C)[C@H]1CC[C@H](C)CCN1C(=O)CCN 195542431 UZUBWYDNMRWJJB-NWDGAFQWSA-N 226.364 2.008 0 40 BEAB N[C@@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 217613383 YSKFCZIPASFMFO-HRDYMLBCSA-N 215.387 2.310 0 40 BEAB OCc1cnc(Cl)cc1C(F)(F)F 307275904 SOBAQTNFNVUROK-UHFFFAOYSA-N 211.570 2.246 0 40 BEAB CCOCCCNC(=O)N[C@H]1CCC[C@H](C)C1 390835629 SSZIPQMAOJWDMK-RYUDHWBXSA-N 242.363 2.291 0 40 BEAB O=C(O)c1c(Cl)ccn(CC2CCC2)c1=O 575423768 RDHGCGBCNBCCOB-UHFFFAOYSA-N 241.674 2.000 0 40 BEAB CCc1cc(=NC(=O)OC(C)(C)C)[nH]o1 1857780946 LTJVCKZUYRGGQJ-UHFFFAOYSA-N 212.249 2.006 0 40 BEAB O=C(NCc1c(F)cccc1F)c1ccoc1 1888930305 SJWYIASRRJXQRH-UHFFFAOYSA-N 237.205 2.488 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)C1CC1 419831 NJIPGDYKLBDXJX-VIFPVBQESA-N 201.269 2.374 0 40 BEAB O=C(O)C[C@@H](C/C=C/c1ccccc1)C(=O)O 1600266 USYIGOSTVXJXHA-TZOMUSMUSA-N 234.251 2.265 0 40 BEAB C[C@H]1CCCCc2nc3c(c(=O)n21)CCCC3 1625408 LSZGAZQPJMISMO-JTQLQIEISA-N 232.327 2.410 0 40 BEAB COc1ccc([C@@H]2C3CCN2CC3)cc1 1865622 QLRLZEWDPOYUOZ-CYBMUJFWSA-N 203.285 2.462 0 40 BEAB COC(=O)C[C@](C)(O)CCCC(C)C 1868420 UBMCXCOBSWZHTL-LLVKDONJSA-N 202.294 2.127 0 40 BEAB COc1cc(OC)c(SC)cc1C[C@H](C)N 1872016 BEMIKIUJWHLJTP-QMMMGPOBSA-N 241.356 2.315 0 40 BEAB O=C(c1ccccn1)N1CCc2ccccc2C1 3335861 YISJFUFBWLOETB-UHFFFAOYSA-N 238.290 2.280 0 40 BEAB c1ccc2c(c1)CCN=C2[C@@H]1CCCO1 4826023 LSHRXRTVJOAZIR-LBPRGKRZSA-N 201.269 2.211 0 40 BEAB CCCNC[C@@H](O)CNc1ccc(Cl)cc1 5555161 CDHQJUOWVCOCSW-GFCCVEGCSA-N 242.750 2.112 0 40 BEAB Cc1ccc(-c2nnc([C@H](C)N)o2)cc1 11586091 AQKMPBWENKHDTO-QMMMGPOBSA-N 203.245 2.065 0 40 BEAB CCCOc1ccc2[nH]cc(CCN)c2c1 13745590 SXHSCDTUUHPMSY-UHFFFAOYSA-N 218.300 2.458 0 40 BEAB C[C@@H](N[C@H]1CN2CCC1CC2)c1ccccc1 19946503 YUJLYFFNXJRLDW-DOMZBBRYSA-N 230.355 2.431 0 40 BEAB Cc1cc(C)n(-c2ccc(C=O)cc2F)n1 20079219 WNKQHUSBZQWDOF-UHFFFAOYSA-N 218.231 2.441 0 40 BEAB CCC[C@@H](C(=O)OC)N1CCCCCC1 22538730 YCCIMRALIAVERT-NSHDSACASA-N 213.321 2.204 0 40 BEAB O=C(NCC1CC1)[C@H]1Cc2ccccc2S1 23174993 OLZCYHGGPAGNKZ-GFCCVEGCSA-N 233.336 2.230 0 40 BEAB N[C@@H](CC(=O)O)c1csc2ccccc12 34381230 ZIEXFAWVYRGQRV-VIFPVBQESA-N 221.281 2.376 0 40 BEAB CCCCNc1nc(N)nc(-c2ccccc2)n1 34925545 FBTHIHKTIQLWNL-UHFFFAOYSA-N 243.314 2.333 0 40 BEAB CC(C)CCNC(=O)c1ccc(C(=O)O)cc1 35085188 KTZBSVRZTIMLKQ-UHFFFAOYSA-N 235.283 2.161 0 40 BEAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 35477536 APKHOEQJTNPBQH-SECBINFHSA-N 233.315 2.159 0 40 BEAB CS[C@H](C)C(=O)NCc1sccc1C 36398265 GHZYJRZVJKEEJT-MRVPVSSYSA-N 229.370 2.424 0 40 BEAB CCC[C@H](N)C(=O)N[C@@H](C)c1cccs1 36873286 MCLCBTCMINUICY-IUCAKERBSA-N 226.345 2.053 0 40 BEAB COC[C@@H](C)NC(=O)CCc1cccc(C)c1 40477339 VVCDNNDUSGFMOF-GFCCVEGCSA-N 235.327 2.079 0 40 BEAB Fc1ccc(OCCC2OCCO2)c(F)c1 41252158 UNSAKIWWKIWVIH-UHFFFAOYSA-N 230.210 2.107 0 40 BEAB Cc1cnn(C2(C(=O)O)CCCCCC2)c1 41916766 HGTJQGSZVGOWGT-UHFFFAOYSA-N 222.288 2.326 0 40 BEAB Fc1cc(Br)c2cc[nH]c2n1 44712815 JCKUVYLNKNSBPY-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB Cc1nnc(CN(C)CC2CCCCC2)o1 44872407 JBNBLJAFFYZGQP-UHFFFAOYSA-N 223.320 2.390 0 40 BEAB COC(=O)c1ccc(NC(=O)NCC2CC2)cc1 48008925 ATTSQLNBAGRXRZ-UHFFFAOYSA-N 248.282 2.005 0 40 BEAB CCONC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 48324725 PLDKEUMNXBDNMY-VHSXEESVSA-N 211.305 2.293 0 40 BEAB CC[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 49333958 LCYOLFHZHONPME-JTQLQIEISA-N 247.747 2.340 0 40 BEAB CC(C)CNC(=N)NCc1ccc(F)cc1 52041284 YTPLIDNPMSRDQU-UHFFFAOYSA-N 223.295 2.096 0 40 BEAB COC[C@H](C)Nc1cc(F)ccc1F 53172104 VSBGTXMYUUYIHU-ZETCQYMHSA-N 201.216 2.412 0 40 BEAB CCc1c(C)sc2[nH]c(=O)cc(O)c12 57327506 REWOYSFJWSXIHR-UHFFFAOYSA-N 209.270 2.166 0 40 BEAB CCO[C@H](CNC)c1ccc(OC)c(OC)c1 62711561 LLUAIAPDXRPAHH-CYBMUJFWSA-N 239.315 2.001 0 40 BEAB c1csc(Cc2nc([C@@H]3CCCN3)no2)c1 70947249 TTXVDQDGPWEYMY-VIFPVBQESA-N 235.312 2.146 0 40 BEAB CC(C)C[C@H](CO)NC(=O)Nc1cccs1 71910262 NAFIGQIDIXDSOJ-SECBINFHSA-N 242.344 2.277 0 40 BEAB CC(=O)Nc1ccc([C@@H]2CCCNC2)cc1 75905299 CTDOTIDYAMDDBR-GFCCVEGCSA-N 218.300 2.112 0 40 BEAB CCC[C@H](C)c1cc(NC(=O)c2cc[nH]n2)[nH]n1 76087984 USPLHHUEKBZTPV-QMMMGPOBSA-N 247.302 2.289 0 40 BEAB CN[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 79437577 SSLOSKCKBZUWFU-WDEREUQCSA-N 242.363 2.384 0 40 BEAB O=c1cc(Cn2cccn2)c2ccc(F)cc2o1 85399435 IYWZOLIVQCHWOC-UHFFFAOYSA-N 244.225 2.177 0 40 BEAB CCC(CC)N(CC(C)C)C(=O)[C@@H](C)N 86453630 YAWYYYSPHCZLGJ-SNVBAGLBSA-N 214.353 2.007 0 40 BEAB OC[C@@H]1CCCC[C@H]1NC1Cc2ccccc2C1 95422908 BIVFJSRXWWVNII-GOEBONIOSA-N 245.366 2.295 0 40 BEAB COc1cccc([C@H](O)c2cccn2C)c1 95727862 YBNQSZFGNRMCPW-ZDUSSCGKSA-N 217.268 2.115 0 40 BEAB Nc1sc2c(c1C(=O)C1CC1)CCC2 95942463 KVXSFRFBZZAOAR-UHFFFAOYSA-N 207.298 2.412 0 40 BEAB in-vitro CCc1ccc([C@@H](CO)Nc2ncccn2)cc1 95973789 CFPMVQUURDLVEE-CYBMUJFWSA-N 243.310 2.185 0 40 BEAB CCCc1cnc(NCc2cnn(C)c2)s1 97375463 IPINMUGQVXXBOF-UHFFFAOYSA-N 236.344 2.441 0 40 BEAB Cc1nsc(N2C[C@@H](C)S[C@H](C)C2)n1 98013800 CRVLPIOYCGVEOD-RNFRBKRXSA-N 229.374 2.177 0 40 BEAB c1ccc2c(c1)CCN2C1[C@@H]2CCC[C@@H]1CNC2 100228575 SRVWVZSGTDUPKO-ZIAGYGMSSA-N 242.366 2.437 0 40 BEAB NC[C@H]1C[C@@]12CCOc1ccc(Cl)cc12 218685694 OJTLHRANFACQCV-PELKAZGASA-N 223.703 2.339 0 40 BEAB Cc1cc(CO)c(C)n1Cc1cccnc1 223699954 SJVHNBKBYCRWER-UHFFFAOYSA-N 216.284 2.041 0 40 BEAB CNC(=O)c1cc(N)c(NC(C)C)cc1Cl 225729321 NMNBZRTXNDECSN-UHFFFAOYSA-N 241.722 2.102 0 40 BEAB Nc1ccnc(OCC2CC2)c1Br 242649040 RSLCXGHSIJZPRO-UHFFFAOYSA-N 243.104 2.215 0 40 BEAB Cc1nc(Cl)cc(Br)c1N 1857790159 XFRUXXUMLANNIE-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB CCOC(=O)c1nn(-c2ccc(C)cc2)cc1O 142836 RSZMACLXIVZQTD-UHFFFAOYSA-N 246.266 2.063 0 40 BEAB NC(=O)CCSc1nc2ccccc2s1 320645 QYNHOITWMFLZJM-UHFFFAOYSA-N 238.337 2.264 0 40 BEAB Cc1ccc(C)c([C@@H](C)NC2=NCCO2)c1 1614969 BQZYSCMFDMDYNC-LLVKDONJSA-N 218.300 2.340 0 40 BEAB C[n+]1ccc(C[n+]2ccccc2)c2ccccc21 1685124 PKGMPAZDWCVKHB-UHFFFAOYSA-N 236.318 2.000 0 40 BEAB Cn1c(Cl)nc2nc(Cl)nc(Cl)c21 1696522 UMASKSWPRALKCL-UHFFFAOYSA-N 237.477 2.324 0 40 BEAB CSc1nc(Cl)c2[nH]c(C)nc2n1 4429585 RKEBFIJQZVMGKG-UHFFFAOYSA-N 214.681 2.037 0 40 BEAB Cc1ccc(N2C(=N)SCC2=O)cc1 5363112 GGKYZIQRNPFTTF-UHFFFAOYSA-N 206.270 2.010 0 40 BEAB O=C(O)[C@H]1CCN1[C@@H](c1ccccc1)C1CC1 6475773 IGZBEONIJJAHDG-OLZOCXBDSA-N 231.295 2.297 0 40 BEAB O=Cc1cccc(OC[C@H]2CCCO2)c1 6677525 RFEIFSQBYWKHQP-GFCCVEGCSA-N 206.241 2.057 0 40 BEAB CCc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 7347829 NEBZAKZWRCPELQ-MRVPVSSYSA-N 237.328 2.395 0 40 BEAB CCn1cc(C(=O)O)c(-c2ccccc2)n1 8133027 XEFYMLLIHKHXDY-UHFFFAOYSA-N 216.240 2.268 0 40 BEAB COC(=O)/C=C/c1ncn(C)c1CC=C(C)C 15219844 LLJZWVUHEIKSRC-SOFGYWHQSA-N 234.299 2.115 0 40 BEAB CCCCn1c(CCN)nc2ccccc21 19734099 PVPYVMGUOLHWCG-UHFFFAOYSA-N 217.316 2.338 0 40 BEAB CC1=CC(=O)O[C@@H](COCc2ccccc2)C1 22005322 LAENAAGUUTWGCG-CYBMUJFWSA-N 232.279 2.465 0 40 BEAB C1CCCN([C@H]2CN3CCC2CC3)CCC1 22578882 QJMFPWLHIFGDNP-AWEZNQCLSA-N 222.376 2.347 0 40 BEAB CCc1ccc(C(=O)Nc2ccccn2)o1 25091666 JWOIPTUGBFUEEZ-UHFFFAOYSA-N 216.240 2.489 0 40 BEAB COc1ccccc1C(=O)Nc1nc(C)ns1 27664586 XVWWSDLIEYHNGP-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB O=C(NCc1ccccn1)[C@@H]1CC=CCC1 28200116 RIZWMSXVGXVLLM-LLVKDONJSA-N 216.284 2.054 0 40 BEAB COc1ccc(-n2nc(C)cc2C)cc1 32010067 RMNFRZLDCSVIFW-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB C[C@@H]1CN(Cc2nc3ccccc3o2)[C@H](C)CO1 36390306 CINYJUGTPIFJQO-GHMZBOCLSA-N 246.310 2.437 0 40 BEAB COc1ccc(CC(=O)C2CC2)cc1OC 38125674 JPLFOUVBPIWOAA-UHFFFAOYSA-N 220.268 2.225 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H](F)C1 38539975 UAPGAPVMGAQEAQ-QMMMGPOBSA-N 203.257 2.355 0 40 BEAB Cc1cccc([C@@H](CN)N2CCCCC2)c1 38809138 MUCTYFFCYRIBAA-CQSZACIVSA-N 218.344 2.481 0 40 BEAB O=C(CC[C@H]1CCCO1)NCc1ccccc1 40505772 ZQZRFMJURIRIBZ-CYBMUJFWSA-N 233.311 2.262 0 40 BEAB CC[C@@]1(c2ccc(C(C)C)cc2)NC(=O)NC1=O 41583532 QFXJAIMMDDEZPW-AWEZNQCLSA-N 246.310 2.255 0 40 BEAB Cc1ccc(N(C)CCCC(=O)O)cc1 50005149 SYMFGIBKDKITCG-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB COCCc1ccc(O)c(C(=O)C2CC2)c1 52068518 ZXFJPLVRPPDILE-UHFFFAOYSA-N 220.268 2.174 0 40 BEAB CC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 53641631 QGNMSFNLHNDRCY-KWQFWETISA-N 207.273 2.381 0 40 BEAB C[C@@H](NCc1ccncc1)[C@@H](C)n1cccn1 69372733 CSIALOJBZURQKV-VXGBXAGGSA-N 230.315 2.017 0 40 BEAB CN(C)C(=O)N[C@@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 71769574 QOBMKVRRANLSMZ-MJDLHHQISA-N 222.332 2.082 0 40 BEAB O=C(NCC[C@H](O)c1ccccc1)c1ccco1 72242664 LHNWQIHHWYFMRC-LBPRGKRZSA-N 245.278 2.133 0 40 BEAB COCc1ccccc1C(=O)O[C@@H](C)COC 73836745 KWWUSUFZPUPFDB-JTQLQIEISA-N 238.283 2.025 0 40 BEAB Cc1ccc(NC(=O)NCc2ncc[nH]2)cc1 80606710 RQNRFVTUDRMBCG-UHFFFAOYSA-N 230.271 2.040 0 40 BEAB CCOCc1nc(Cl)cc(Cl)n1 84062661 PYDUJAPRBBVWSO-UHFFFAOYSA-N 207.060 2.320 0 40 BEAB CC1CC(CN)([C@@H](O)c2ccccc2F)C1 85396000 BSDGLZYPHWFEPA-YHECAPGISA-N 223.291 2.234 0 40 BEAB Cc1nnc(CSC2=N[C@H](C)CS2)o1 89522620 LFXBRCOZURRPJT-RXMQYKEDSA-N 229.330 2.103 0 40 BEAB C/C=C\C(=O)OCC(F)(F)C(F)F 96268952 BNMLMDYKLCGBCC-IHWYPQMZSA-N 200.131 2.006 0 40 BEAB C[C@@H](Cn1cccn1)OC(=O)c1ccsc1 96459854 ZRWGRSRIOLFIAF-VIFPVBQESA-N 236.296 2.190 0 40 BEAB O=Cc1cnc(COc2ccccc2F)nc1 217375564 QUFJDIWPEKFHTH-UHFFFAOYSA-N 232.214 2.007 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@H]2O[C@@H](C)C[C@@H]21 225760265 TWTPKDUTNOWMNE-LNFKQOIKSA-N 212.289 2.143 0 40 BEAB O=C1Cc2c(F)ccc(Br)c2C1 238616486 PIWBFXBZBTUWBD-UHFFFAOYSA-N 229.048 2.256 0 40 BEAB CCn1ccc(CNc2ccnn2C(C)C)n1 256054465 WJZDYBPTEWYDIG-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB Cc1cccnc1NC(=O)c1cc(F)c[nH]1 336113980 QBRONSACTLFRDH-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB COc1cccc2cc(C=O)c(N(C)C)nc12 685937140 LRDCKDMIKFMZAI-UHFFFAOYSA-N 230.267 2.122 0 40 BEAB CCOC(=O)CSc1nc2ccccc2o1 197015 PNLSMEXGDDKKDY-UHFFFAOYSA-N 237.280 2.483 0 40 BEAB O[C@]1(C(F)F)CC(/C=C/c2cccs2)=NO1 509809 RFYVQJGHGHWEEJ-HMDXOVGESA-N 245.250 2.491 0 40 BEAB C[C@@H]1CCO[C@]2(CC(C)(C)OC2(C)C)O1 1677949 PJFSVWVGDLAMIZ-BXKDBHETSA-N 214.305 2.486 0 40 BEAB CC(C)c1cccc(OC(=O)N(C)C=O)c1 1719894 JIFJNGGDZGRACB-UHFFFAOYSA-N 221.256 2.397 0 40 BEAB Nc1cccc(NC(=O)Nc2cccc(N)c2)c1 2565490 IKLYNYSRJGANON-UHFFFAOYSA-N 242.282 2.495 0 40 BEAB CC(=O)Nc1nnc(-c2ccc(C)cc2C)o1 5169596 YJWWTOGEGVYRAX-UHFFFAOYSA-N 231.255 2.312 0 40 BEAB Cc1cc(=O)[nH]c(NCc2ccccc2Cl)n1 5625838 JZKYOBTWXBLCJX-UHFFFAOYSA-N 249.701 2.344 0 40 BEAB OCc1c(-c2ccccc2)nc2ccccn12 5729087 PIAXUROOVXTADE-UHFFFAOYSA-N 224.263 2.494 0 40 BEAB in-vitro CCC(CC)(c1ccccc1)c1nn[nH]n1 6591672 XCDDQZHRZLFVQK-UHFFFAOYSA-N 216.288 2.306 0 40 BEAB CCCCN(CCCC)CCC(=O)O 11798867 WVIVDMIARDUSDI-UHFFFAOYSA-N 201.310 2.363 0 40 BEAB O=C(O)CCN1CCC[C@@H]1c1cccc(F)c1 12398736 NACWGDDPPILITO-GFCCVEGCSA-N 237.274 2.437 0 40 BEAB Fc1ccccc1OC[C@H]1CCCCN1 19435522 YAOXZZZMKNJJAF-SNVBAGLBSA-N 209.264 2.347 0 40 BEAB CCNC(=O)Nc1nc(-c2ccccn2)cs1 19529365 BEKWFKXUKQBCJC-UHFFFAOYSA-N 248.311 2.347 0 40 BEAB CCCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 19773017 DIDAPUTUUYJADA-QMMMGPOBSA-N 233.267 2.389 0 40 BEAB CCCN1CSC(=S)N(CCC)C1 19802510 JVODKKRRUYELMB-UHFFFAOYSA-N 218.391 2.357 0 40 BEAB Nc1cc(Br)c(O)c2ncccc12 22124269 LVXDEZWLWGDSJA-UHFFFAOYSA-N 239.072 2.285 0 40 BEAB O=Cc1cc(=O)c(OCc2ccccc2)co1 26423648 NKYLVJVQGOBKLI-UHFFFAOYSA-N 230.219 2.031 0 40 BEAB in-vitro Fc1ccccc1COC1CCNCC1 31839916 QPLAHBCDXICMJY-UHFFFAOYSA-N 209.264 2.094 0 40 BEAB CCCCc1nc2ccccc2c(=O)[nH]1 32167128 WBFIFMJPHUALRV-UHFFFAOYSA-N 202.257 2.266 0 40 BEAB CC(C)(CO)[C@H](O)c1ccccc1Cl 34077557 QRVPERDYBIBNET-SNVBAGLBSA-N 214.692 2.392 0 40 BEAB O=C1CC[C@@H]2CCN(Cc3ccccc3)[C@H]12 34310719 MDHHQXUKNXLARZ-OCCSQVGLSA-N 215.296 2.240 0 40 BEAB O=C(O)[C@H]1CCCCN1c1nc2ccccc2o1 34924856 WXTUPZCUXANAJB-SNVBAGLBSA-N 246.266 2.271 0 40 BEAB CC(C)CCN[C@H](C)c1nnc2ccccn12 35044256 BLDBRIXGTZMTMN-LLVKDONJSA-N 232.331 2.426 0 40 BEAB CCCc1nc2cc(C(=O)O)ccc2n1C 36893520 GKKAQXMXFCSAAN-UHFFFAOYSA-N 218.256 2.224 0 40 BEAB CCc1cccc(C)c1NC(=O)CNC1CC1 37386612 VRAYEAKSQQPMRN-UHFFFAOYSA-N 232.327 2.248 0 40 BEAB CCOc1c(F)ccc(/C=C/C(=O)O)c1F 38529961 KEKXZPKFJIPTDE-GQCTYLIASA-N 228.194 2.461 0 40 BEAB COc1ccc(-c2ccc(C(=O)O)[nH]2)cc1 39321112 OHFDQHBTVFUZOI-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB COCc1cccc(CNC(=O)C(C)(C)C)c1 40108424 XGJGDERTSFFTCX-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB C[C@@H]1COC[C@@H](C)N1C(=O)Nc1ccccc1 40634698 YHUZAHVPIQCQGA-GHMZBOCLSA-N 234.299 2.328 0 40 BEAB CC(C)Oc1ncc(CO)cc1Cl 40883476 LVTJUYBHZPUHMF-UHFFFAOYSA-N 201.653 2.015 0 40 BEAB in-vitro C[C@H](S[C@@H](C)c1ccccc1F)C(N)=O 48681391 JHDFKNYBYMQRGO-YUMQZZPRSA-N 227.304 2.494 0 40 BEAB CC(=O)N1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 49168711 NEYYMAKYGOFRAE-VIFPVBQESA-N 247.273 2.038 0 40 BEAB biogenic,in-vitro CCCCN(C)C(=O)Cc1ccc2c(c1)CCO2 55471262 JCPVTDFXOQEJKC-UHFFFAOYSA-N 247.338 2.423 0 40 BEAB C[C@@H]1SCC(=O)n2c1nc1ccccc12 57531742 JPIVUYQDHNYACG-ZETCQYMHSA-N 218.281 2.484 0 40 BEAB COc1cc(-c2ccc(C)cc2)nc(N)n1 68677045 REVNVBGGSVQCHF-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB OC[C@@H](c1ccc(F)cc1F)N1CCCCC1 70452789 XCRQQFRBCOGCSJ-ZDUSSCGKSA-N 241.281 2.484 0 40 BEAB Cc1nc(Br)ccc1[C@@H](C)N 72224002 YKJIOGFWVDKVEV-RXMQYKEDSA-N 215.094 2.172 0 40 BEAB c1cc(C2CCN(c3ccncn3)CC2)ccn1 72357356 PBEHSEFTOFOUAZ-UHFFFAOYSA-N 240.310 2.256 0 40 BEAB c1cnc(Nc2cccc([C@@H]3CCCN3)n2)nc1 72376492 FJKZICSNLVSHPH-JTQLQIEISA-N 241.298 2.040 0 40 BEAB O=c1ccn(Cc2ccon2)c2ccsc12 76065277 JBZPSEJJVKNULQ-UHFFFAOYSA-N 232.264 2.099 0 40 BEAB COc1ccc(C(C)=O)cc1COC(=O)C1CC1 83815654 QRRUFTFJZPTIFE-UHFFFAOYSA-N 248.278 2.351 0 40 BEAB CO[C@@H]1CCC[C@H](NCc2c(C)noc2C)C1 92339522 OJAQZWDGXBCSQE-NWDGAFQWSA-N 238.331 2.339 0 40 BEAB COc1ccc2c(=O)c(C)c(C)[nH]c2c1 95534957 QBUNHIQCWFVODQ-UHFFFAOYSA-N 203.241 2.154 0 40 BEAB Cc1ccc(C(=O)C(F)(F)F)c(O)c1 95775216 FBZHWPJYAXFCFG-UHFFFAOYSA-N 204.147 2.446 0 40 BEAB CCOc1cc(C(=O)O)sc1Cl 96510783 FVYPJBSXGSOIEU-UHFFFAOYSA-N 206.650 2.498 0 40 BEAB CCCOc1cc(OC)sc1C(=O)O 96510878 VTUZBVVKRVXYBK-UHFFFAOYSA-N 216.258 2.244 0 40 BEAB CCc1noc(C[S@](=O)CC2CCCC2)n1 97033787 VGKIUPZHPFLFRM-INIZCTEOSA-N 242.344 2.071 0 40 BEAB CCOc1ccc2c(c1)[C@@H](C)C(=O)N2C 100042166 JMRWLRFPUMZEGA-MRVPVSSYSA-N 205.257 2.165 0 40 BEAB CCc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1N 162028911 WUGRTGYGCHUFTK-ZIAGYGMSSA-N 246.354 2.249 0 40 BEAB FC(F)(F)C1CCN(c2cnccn2)CC1 172785500 ZWKQRYLJVMJKOL-UHFFFAOYSA-N 231.221 2.255 0 40 BEAB COC(=O)c1cccn1-c1cccc(OC)c1 223735701 QJTMRMVAFATIMX-UHFFFAOYSA-N 231.251 2.273 0 40 BEAB CCCNC(=O)CCc1ccc(OC)c(C)c1 224461474 CKXYMNBRVOWCHI-UHFFFAOYSA-N 235.327 2.462 0 40 BEAB CC(C)(C)c1cnc(C2=CCNCC2)o1 242722756 XUBKFIUWJHBICO-UHFFFAOYSA-N 206.289 2.349 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2N)O1 252528004 DXOFCJWXXLMFIJ-WUNNTHRKSA-N 223.238 2.080 0 40 BEAB Cc1ccoc1CN(C)C(=O)N[C@@H]1CC12CC2 335138642 SLOANCPJOJXFSH-LLVKDONJSA-N 234.299 2.282 0 40 BEAB CC(C)(F)C[C@H](NCc1ccccc1)C(=O)O 504767208 ICPHPLXSJSGZTP-NSHDSACASA-N 239.290 2.368 0 40 BEAB CSc1nc(C)cc(N2N=C(C)C[C@H]2C)n1 524734592 SYERFMSJGIIWQS-SECBINFHSA-N 236.344 2.481 0 40 BEAB C[C@]12CO[C@]3(CCC(=O)O)C[C@H]1CC[C@]23C 583929825 LVBSDDDLZPULRS-GWNIPJSYSA-N 224.300 2.447 0 40 BEAB O=C(O)c1cc(Br)c2occc2n1 953109685 BGOBAHIBKUBFAE-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB CCc1cc(C(=O)Nc2ccccc2)ncn1 1888860303 QTAXOKOIJLHWJH-UHFFFAOYSA-N 227.267 2.291 0 40 BEAB C[C@@H]1S[C@@H](c2ccc(F)cc2)NC1=O 128948 GIWCGQHJMAJOSI-WKEGUHRASA-N 211.261 2.076 0 40 BEAB Cc1ccc(C)c(SCC(=O)N(C)C)c1 2664411 JHVMJKLCBVOGOG-UHFFFAOYSA-N 223.341 2.484 0 40 BEAB CCCC[C@H](CC)CNC(=O)[C@H]1CCCO1 2740160 BALJFIJZWAYPQU-NWDGAFQWSA-N 227.348 2.498 0 40 BEAB Cc1nc2ccccc2c(N)c1[C@H](C)O 4812291 CGNUFQNISVSNRG-QMMMGPOBSA-N 202.257 2.179 0 40 BEAB CC1(C)CCO[C@@H]([C@@H]2OCCC(C)(C)O2)O1 5052093 RLVOGDZXMVYOOL-NXEZZACHSA-N 230.304 2.070 0 40 BEAB Cc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 7763288 RGDGOZNXSNPUIN-UHFFFAOYSA-N 246.291 2.449 0 40 BEAB Cc1cc(C(=O)O)ccc1-n1cccc1C=O 8701953 WHJRLFVDGXZCLU-UHFFFAOYSA-N 229.235 2.296 0 40 BEAB Cc1ccc(CNCCCN(C)C)s1 20028161 JHTLCQMYTFPLBZ-UHFFFAOYSA-N 212.362 2.098 0 40 BEAB CCN(C(=O)c1cnccn1)c1ccccc1C 32753760 BABJJAUYUSZTEX-UHFFFAOYSA-N 241.294 2.452 0 40 BEAB O=C1NCCCC[C@H]1Sc1ccccc1 34077955 VDMBFMQIWFRBSK-LLVKDONJSA-N 221.325 2.447 0 40 BEAB CC(C)c1nn(C)c2sc(C(=O)O)cc12 36905354 XVYIJKPPQWYKEU-UHFFFAOYSA-N 224.285 2.456 0 40 BEAB in-vitro CCCOC(=O)c1ccc(Cl)c(N)c1 37022108 ZLJVVDUAIWCUKZ-UHFFFAOYSA-N 213.664 2.489 0 40 BEAB O=C(NCCOc1cccc(F)c1)C1CCC1 40089137 YOFCCHZSQBLZHY-UHFFFAOYSA-N 237.274 2.121 0 40 BEAB CS[C@@H](C)C(=O)NCCc1cccs1 40093163 BDQQRYWTOXLTOJ-QMMMGPOBSA-N 229.370 2.158 0 40 BEAB COc1ccc([C@H](O)c2ccoc2)cc1OC 40243619 BHLHXTUKMNXVQK-ZDUSSCGKSA-N 234.251 2.379 0 40 BEAB C[C@@H]1CCCN(c2cc(Cl)ncn2)C1 40422332 GAYVBGWDNBOZRY-MRVPVSSYSA-N 211.696 2.366 0 40 BEAB in-vitro NCc1csc(-c2cccc(F)c2)n1 40999555 BAFDWACDUQQWDS-UHFFFAOYSA-N 208.261 2.408 0 40 BEAB in-vitro CN(Cc1ccn(C)c(=O)c1)CC1CCCCC1 42113041 POCASRDVCMWBPV-UHFFFAOYSA-N 248.370 2.397 0 40 BEAB O=c1[nH]c2c(Br)cccc2cc1F 71255607 WKUYWQNUGUWKEX-UHFFFAOYSA-N 242.047 2.430 0 40 BEAB C[C@@H]1C[C@H]1NC(=O)c1ccc(OCC2CC2)nc1 72094946 GPFOJYWBQSDTJK-BXKDBHETSA-N 246.310 2.009 0 40 BEAB OCc1nccc2c(Br)cccc12 72206999 ONSCHMLRHHLALM-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB O=C(O)c1cc(Cl)n(-c2ccccc2F)n1 72220901 XGBRVMBRWJHJGE-UHFFFAOYSA-N 240.621 2.363 0 40 BEAB NC(=S)c1cccc(Br)c1F 83360533 CDDOMYWWNKXVEJ-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB CC(C)=CC(=O)N[C@@H](C)COCC(C)C 84544399 APUJJYSDBJQWRY-NSHDSACASA-N 213.321 2.130 0 40 BEAB O=Cc1c(O)cccc1OC(F)(F)F 85344384 UVRULUZOERPFTP-UHFFFAOYSA-N 206.119 2.103 0 40 BEAB in-vitro O=C(O)c1ccc(C(=O)C2CCCC2)o1 85394253 DCKARNOZXBVDCG-UHFFFAOYSA-N 208.213 2.351 0 40 BEAB CC(C)(C)CN(CC(=O)O)C(=O)OC(C)(C)C 90411756 UMTGBDIQNPUALE-UHFFFAOYSA-N 245.319 2.354 0 40 BEAB CCOC(=O)CCCC(=O)c1nccs1 95739480 CQBMGXDDOLHSCK-UHFFFAOYSA-N 227.285 2.059 0 40 BEAB CCCCOCC(=O)Nc1cccc(C)c1O 96452142 BOFHEWCTIQCWFW-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB O=C(Nc1cnccn1)C1CCC(F)(F)CC1 96503235 WHIINZFIVHQTOJ-UHFFFAOYSA-N 241.241 2.241 0 40 BEAB Cc1cc2c(N3CCCO3)ncnc2s1 97373510 RCTNPXQMNLEGKB-UHFFFAOYSA-N 221.285 2.141 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@H]2[C@H](C)O)c1 108350604 ZEKOAWYKSMNJMM-INTQDDNPSA-N 222.284 2.188 0 40 BEAB COC1(C(=O)O)CCC(C(F)(F)F)CC1 160611925 VCWRHTRLEARNPC-UHFFFAOYSA-N 226.194 2.209 0 40 BEAB CC(C)=CCOC(=O)c1cncc(F)c1 181463809 AQNAADFCDLIXMQ-UHFFFAOYSA-N 209.220 2.344 0 40 BEAB C[C@H](c1cccnc1)N(C)Cc1ccc(CO)o1 183722839 JULNQDFYQPCWTI-LLVKDONJSA-N 246.310 2.360 0 40 BEAB CC(C)(CNC(=O)NCC(F)F)C(F)(F)F 225758554 RAVALSCCFJKAHM-UHFFFAOYSA-N 248.195 2.139 0 40 BEAB C[C@]1(C(=O)N[C@@H]2CC=CCC2)CC1(F)F 334985477 DGLDDBFTSZXVHF-PSASIEDQSA-N 215.243 2.257 0 40 BEAB CC(C)c1noc(-c2cc(C3CC3)n(C)n2)n1 336354079 GCSHCUIABUHHIO-UHFFFAOYSA-N 232.287 2.471 0 40 BEAB CC(=O)OCC(=O)c1ccc(Cl)cc1C 382701630 OTQKGOYRBVNMCF-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB CN1CCCC[C@@H]1COc1nccs1 585651786 QHJLJOKAKXJFKE-SECBINFHSA-N 212.318 2.006 0 40 BEAB CC[C@@](C)(CO)C(=O)N1CCCC(F)(F)CC1 628630666 DWLAJRHZTAXMEU-NSHDSACASA-N 249.301 2.043 0 40 BEAB CNC1=C(C)CCN(C(=O)OC(C)(C)C)C1 1560405431 XQSZYZQUPZTTDD-UHFFFAOYSA-N 226.320 2.121 0 40 BEAB O=C(N[C@@H]1CCC[C@H]1F)C1CC(F)(F)C1 1776008964 DEVOSYXSTJKVDY-HTQZYQBOSA-N 221.222 2.039 0 40 BEAB Cc1ccnc(NC(=O)c2ccc(N)cc2)c1 280994 DZNHKWPUFQKTRB-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CC(C)N(C)CCOC(=O)c1cccs1 1766402 SBRACRQFZIQFJM-UHFFFAOYSA-N 227.329 2.245 0 40 BEAB O=C(NC1=NCCS1)[C@H]1C[C@H]1c1ccccc1 2737102 KRMDOGUODZDKRY-QWRGUYRKSA-N 246.335 2.009 0 40 BEAB CCCCNS(=O)(=O)/C=C/c1ccccc1 3326486 PZDKTCRAXMQZTK-PKNBQFBNSA-N 239.340 2.377 0 40 BEAB Cc1csc(NC(=O)c2cccn2C)n1 3369788 YCDXNRUAJIQLMQ-UHFFFAOYSA-N 221.285 2.042 0 40 BEAB NC(=O)COc1ccccc1Cc1ccccc1 5294649 QJKUDWJBZRKILA-UHFFFAOYSA-N 241.290 2.142 0 40 BEAB CCC(=O)N1CCc2[nH]c3ccccc3c2C1 5427923 PWQBEEMZIMYAMT-UHFFFAOYSA-N 228.295 2.463 0 40 BEAB Cc1ccc2[nH]c(SCC(=O)N(C)C)nc2c1 5696164 VUBUXDXSSSCECR-UHFFFAOYSA-N 249.339 2.052 0 40 BEAB Cc1cc(NN)nc(-c2ccc(Cl)cc2)n1 8731098 SBRQUTQBKHKTOZ-UHFFFAOYSA-N 234.690 2.391 0 40 BEAB OCCNCc1c(Cl)cccc1Cl 16383716 WHOLKBDVEGPXOL-UHFFFAOYSA-N 220.099 2.075 0 40 BEAB Cc1cc(C)n(CC(=O)Nc2ccccc2C)n1 16705307 CETBKSPSHYRABM-UHFFFAOYSA-N 243.310 2.447 0 40 BEAB CCCOCCOc1ccc(C=O)cc1OC 20131551 WPICOEQMGKWZIG-UHFFFAOYSA-N 238.283 2.313 0 40 BEAB COc1ccccc1-c1csc2nc(N)nn12 31891249 IMHWXXILFJFZPM-UHFFFAOYSA-N 246.295 2.049 0 40 BEAB Cc1ccc(C(=O)Cc2ncc[nH]2)cc1 34083828 XFGFWLYWGWKWII-UHFFFAOYSA-N 200.241 2.144 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1nc2ccccc2o1 34926281 ZZTHDEKCVGNAJD-RQJHMYQMSA-N 203.197 2.016 0 40 BEAB Cc1cc(C(=O)Nc2cn[nH]c2)c(C)s1 35237717 ZQBIQIDQABQXHJ-UHFFFAOYSA-N 221.285 2.340 0 40 BEAB CC[C@@H](N)[C@@H](O)c1ccc(C(F)(F)F)cc1 36779491 DBHGTVSFCLFFJL-ZJUUUORDSA-N 233.233 2.476 0 40 BEAB in-vitro Clc1ccc(OC2CNC2)cc1Cl 38302229 MRTKDTHRKQRAKJ-UHFFFAOYSA-N 218.083 2.344 0 40 BEAB Cc1c[nH]c(=O)n1-c1ccccc1Cl 38342208 QVYUJLNSXSBQFP-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB in-vitro Cc1ccc(N)cc1C(=O)N1CCCCC1 41031648 RGSCUGNXAKSOKW-UHFFFAOYSA-N 218.300 2.203 0 40 BEAB in-vitro CC(C)(C)c1nccc([C@@H]2CCCNC2)n1 43673927 FEEPHLVLUICVHR-SNVBAGLBSA-N 219.332 2.241 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 49122892 UYJAWTNWITUSQU-PSASIEDQSA-N 233.315 2.369 0 40 BEAB CCN(CCO)Cc1ccccc1Cl 49754195 SNOZDHFIGBDYME-UHFFFAOYSA-N 213.708 2.154 0 40 BEAB CN(C)CCCNCc1ccc(Cl)cc1 57322201 JBCZCAQAEQISHN-UHFFFAOYSA-N 226.751 2.381 0 40 BEAB NCc1nc2ccc(Br)cc2o1 62529386 BHZNIRWKQALLSH-UHFFFAOYSA-N 227.061 2.049 0 40 BEAB CC(C)N(C)CCCCNC(=O)C(C)(C)C 70266138 ZROYFOQZKNNJPP-UHFFFAOYSA-N 228.380 2.269 0 40 BEAB CC[C@H](O)[C@@H]1CCCCN1Cc1ccccn1 76325323 KYZZETHYMGFHOY-KBPBESRZSA-N 234.343 2.207 0 40 BEAB COc1cc(-c2nc3ncccc3o2)ccc1N 82549955 HVUCUTBHQSLLGQ-UHFFFAOYSA-N 241.250 2.481 0 40 BEAB NCCCNc1nccc2ccc(F)cc12 82765958 PYYLSGAXXYALHY-UHFFFAOYSA-N 219.263 2.135 0 40 BEAB OCC1(Nc2nc(C3CC3)ns2)CCCC1 83668570 QWITZYIOCBUAKB-UHFFFAOYSA-N 239.344 2.133 0 40 BEAB O=C(O)c1ccc(O)c(-c2cscn2)c1 85390067 VSEGFVZYMXQVDM-UHFFFAOYSA-N 221.237 2.214 0 40 BEAB CCOC(=O)c1ccc(Cn2ccnc2CC)o1 91602033 JGTKLQANDNKKID-UHFFFAOYSA-N 248.282 2.264 0 40 BEAB CC(=O)Nc1cc(Cl)c(C)cc1C(=O)O 95080174 IKWNCQRFCPAMKG-UHFFFAOYSA-N 227.647 2.305 0 40 BEAB in-vitro COC[C@H](C)SCc1nnc(C)n1C1CC1 95983967 GLKOUZUPQIGUQL-QMMMGPOBSA-N 241.360 2.190 0 40 BEAB CSC(C)(C)CNC(=O)Nc1cccnc1 96434106 QIIZUGZFFIHVON-UHFFFAOYSA-N 239.344 2.345 0 40 BEAB CSC[C@@H](C)C(=O)Nc1c(O)cccc1F 96436578 TWJNYKKFVUJFQH-SSDOTTSWSA-N 243.303 2.469 0 40 BEAB CC(C)(C)CC(=O)NC[C@@]1(C)CCCC[C@H]1O 96450826 MNWSFYMSUJVIJD-BXUZGUMPSA-N 241.375 2.480 0 40 BEAB CC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1F 96490721 RYXRORKABVYDHH-WCBMZHEXSA-N 229.270 2.386 0 40 BEAB COc1ccc([C@@]2(O)CCC[C@](C)(O)C2)cc1 96509978 SOFKAVUNAOIBFY-UONOGXRCSA-N 236.311 2.208 0 40 BEAB CCOc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 167136762 QGXLKHOQRBRUCY-NWDGAFQWSA-N 220.268 2.362 0 40 BEAB C[C@H](NCCCO)C(C)(C)c1ccc(F)cc1 184841176 LDLBYNDEZVJQTI-NSHDSACASA-N 239.334 2.464 0 40 BEAB CCOC(=O)[C@]1(C)CCN(c2cccc(C)n2)C1 195566902 KTXMIGROWBZTDD-CQSZACIVSA-N 248.326 2.170 0 40 BEAB OC12CCC(Br)(CC1)CC2 196667633 XGWMIKWVTITGFT-UHFFFAOYSA-N 205.095 2.219 0 40 BEAB Cc1c(C)c(C)c(CCNN)c(C)c1C 199538379 HIZZCIOJRAIBGQ-UHFFFAOYSA-N 206.333 2.235 0 40 BEAB COc1ncc(NC(=O)c2cccc(C)c2)cn1 224279522 NKLQBTNCLGVSLT-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CNc1ccc(N2CCCC2)c(C(=O)OC)c1 226276269 FVAUBWWRYCTQMC-UHFFFAOYSA-N 234.299 2.115 0 40 BEAB Cc1cc(C)c(-n2cc([C@H](C)O)nn2)c(C)c1 1565520764 NMKODILKISOGRF-NSHDSACASA-N 231.299 2.246 0 40 BEAB CC(C)(O)[C@](C)(O)c1ccc(Cl)cc1 603 HTYIXCKSEQQCJO-LLVKDONJSA-N 214.692 2.318 0 40 BEAB in-man CCc1ccc([C@H]2N[C@@H](C(=O)O)CS2)s1 205120 BFIUXTYFWMAWJJ-APPZFPTMSA-N 243.353 2.099 0 40 BEAB CCOC(=O)c1ccc(N2CCCC2)cc1 258222 RKJDCQVVECOVJR-UHFFFAOYSA-N 219.284 2.464 0 40 BEAB Cc1ccc([C@H]2NC(=O)[C@H](C)S2)cc1 292857 FBQSULSZOOGTHJ-KWQFWETISA-N 207.298 2.245 0 40 BEAB c1ccn2cc(CN3CCCCC3)nc2c1 809957 SLMPRDKRNIPWMQ-UHFFFAOYSA-N 215.300 2.320 0 40 BEAB O=C1NC(=S)[C@@H](Nc2ccccc2)S1 1244601 WTBZRVBCEUIDLI-QMMMGPOBSA-N 224.310 2.208 0 40 BEAB CCC[C@]1(c2ccccc2)SCC(=O)NC1=O 2035414 KQRGGBXNOZAVNS-CYBMUJFWSA-N 249.335 2.072 0 40 BEAB COc1cccc(OC)c1[C@@H]1CCCN1 3732289 ZPZQQZBQBVNECV-VIFPVBQESA-N 207.273 2.128 0 40 BEAB CCOCCCN[C@H](C)c1cccnc1 4537809 AMQWDXQMLRQMPF-LLVKDONJSA-N 208.305 2.159 0 40 BEAB COc1sc(SC)cc1C[C@@H](C)N 4745314 ZTNLTVRVUCZHHK-ZCFIWIBFSA-N 217.359 2.368 0 40 BEAB CN(C)C(=O)Nc1cc(F)cc(F)c1 4834746 LGYWZWVXJPZZOI-UHFFFAOYSA-N 200.188 2.058 0 40 BEAB SC1=Nc2ccccc2[C@H]2CC=NN12 5389599 KHNGLFNKVNNTKI-SECBINFHSA-N 203.270 2.350 0 40 BEAB in-vitro CC(C)c1nc2ccccc2n1CCC(N)=O 5547686 ZLWKIJXFQUXLIX-UHFFFAOYSA-N 231.299 2.035 0 40 BEAB C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H](C)O1 5673165 LRHCUXPHENVHGT-RYYBZQDPSA-N 245.322 2.336 0 40 BEAB Cc1cc(N2CCCCC2)ccc1CO 8701620 MTBKYQKGDBTHDK-UHFFFAOYSA-N 205.301 2.478 0 40 BEAB COc1c(Cl)cc(C(N)=O)cc1Cl 8734433 LUVHEVYYSJVNQE-UHFFFAOYSA-N 220.055 2.101 0 40 BEAB Cc1cc(=O)n2nc(C)c(-c3cccs3)c2[nH]1 10338926 FTBPAQUWKRPMDP-UHFFFAOYSA-N 245.307 2.368 0 40 BEAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1 12408928 RVTANKMKMMBUOZ-RYUDHWBXSA-N 229.279 2.366 0 40 BEAB O=C(NC1CC1)[C@H]1CCCc2ccccc21 12908804 POCAQJPFEIHGGF-ZDUSSCGKSA-N 215.296 2.385 0 40 BEAB O=C(O)c1ccc(Cl)c(NC(=O)C2CC2)c1 13168090 RQBLMKIJFPSCNF-UHFFFAOYSA-N 239.658 2.387 0 40 BEAB CCCCc1nc(Cl)nn1-c1ncccn1 22125977 KPJHQRJAZQSVIT-UHFFFAOYSA-N 237.694 2.053 0 40 BEAB Cc1cccc(C(=O)NC(C2CC2)C2CC2)n1 25609817 BSSFJSGHPOYVGA-UHFFFAOYSA-N 230.311 2.308 0 40 BEAB CCOc1ccccc1C(=O)Nc1nonc1C 27991716 AXLTXZUTPCWFRJ-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB CCCCNC(=O)c1ccc(F)cc1F 28210696 FIXNWCIAKUXVDI-UHFFFAOYSA-N 213.227 2.495 0 40 BEAB Cc1ccc2c(c1)S[C@H](C(=O)N(C)C)C2 32904170 PPNSJCMRJVSDOI-NSHDSACASA-N 221.325 2.100 0 40 BEAB ClC1=Nc2c(cnn2-c2ccccc2)CN1 34343108 XNKXPYASJUEJSR-UHFFFAOYSA-N 232.674 2.202 0 40 BEAB Nc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 36222659 CPVGQHGZVLAWBZ-UHFFFAOYSA-N 243.291 2.234 0 40 BEAB CN(C(=O)c1ccccc1O)C1CCCC1 37022691 PRPKYHQDQVKKDL-UHFFFAOYSA-N 219.284 2.407 0 40 BEAB in-vitro O=C(O)[C@@H](NC1CC1)c1ccc(Cl)cc1 37183648 YQWLYFPXDIHYLF-JTQLQIEISA-N 225.675 2.218 0 40 BEAB CNC1CCN(c2cc(C)nc(C(C)C)n2)CC1 37537187 VZWMRSZIRKKZOF-UHFFFAOYSA-N 248.374 2.097 0 40 BEAB in-vitro CN1C(=O)CN=C(Cl)c2cc(Cl)ccc21 39209000 KZSORONFJRGEQN-UHFFFAOYSA-N 243.093 2.302 0 40 BEAB COc1ccc(-n2cnc(Cl)c2C=O)cc1 40150495 OOWBIZOTRWHIBR-UHFFFAOYSA-N 236.658 2.347 0 40 BEAB O=Cc1cccc(F)c1OCCN1CCCC1 40541778 XMMJECDFDADDTC-UHFFFAOYSA-N 237.274 2.113 0 40 BEAB CC[C@H](C)CN[C@@H](CC(C)C)C(=O)O 43432831 SMPOLFVHBCTPIZ-UWVGGRQHSA-N 201.310 2.121 0 40 BEAB NC[C@]1(CO)C[C@@H]1c1ccc(Cl)c(Cl)c1 62713456 UBDQFPICMKRFMH-KCJUWKMLSA-N 246.137 2.418 0 40 BEAB CC(=O)c1sc(NC2CCOCC2)nc1C 77410551 SBBONZYVQQMANL-UHFFFAOYSA-N 240.328 2.245 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 78351548 KKEVWNXYQYANJX-SFYZADRCSA-N 229.201 2.294 0 40 BEAB O=C(O)c1cc2cnc(Cl)nc2s1 82967839 QHYUDQZZSBVATA-UHFFFAOYSA-N 214.633 2.043 0 40 BEAB O=C([C@@H]1CCCOC1)N1CC[C@@H]2CCCC[C@H]21 89818690 VXMDLWLMHWTWQH-YNEHKIRRSA-N 237.343 2.204 0 40 BEAB C[C@H](NC(=O)Nc1ccncc1F)C1CC1 95940255 KLPJDIDMFKIYII-ZETCQYMHSA-N 223.251 2.141 0 40 BEAB CCCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 96192699 YBWUGKMFAKMPEK-AWEZNQCLSA-N 246.310 2.096 0 40 BEAB CN(CCN)Cc1ccc(Cl)c(Cl)c1 96319872 JVFDHGBEJGGCOD-UHFFFAOYSA-N 233.142 2.384 0 40 BEAB COCCCNCc1cccn1C(C)C 113704375 GZWRLLVIRYLFPL-UHFFFAOYSA-N 210.321 2.195 0 40 BEAB CC(C)c1nn(C)c(C=O)c1Br 215120895 FYFGIWURFPAEFN-UHFFFAOYSA-N 231.093 2.119 0 40 BEAB CCNC(=O)c1cc(N)ccc1NCC(C)C 225453393 HFVAVEGRGCMZKB-UHFFFAOYSA-N 235.331 2.086 0 40 BEAB CCCC(=O)Nc1ccc(N(C)C)c(N)c1 226262572 DJRXLLPENOHOBW-UHFFFAOYSA-N 221.304 2.073 0 40 BEAB Nc1ccccc1-c1cc(O)ccc1O 238649989 DBSQNDBCIKGZCB-UHFFFAOYSA-N 201.225 2.347 0 40 BEAB in-vitro CO[C@@H]1CCCN(C(=O)Nc2cccs2)C1 238978330 ZZFWWBLGOVYIHA-SECBINFHSA-N 240.328 2.391 0 40 BEAB CC[C@H](C)n1ccc(NCc2cnn(C)c2)n1 256050396 DVQQMMFIRMKTNC-JTQLQIEISA-N 233.319 2.200 0 40 BEAB FC(F)CNc1cccc([C@H]2CCCN2)n1 257219706 DHUNWELOWJFSRB-MRVPVSSYSA-N 227.258 2.183 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCc2oncc2C1 575424846 PCZRDPUQBPEFQP-SECBINFHSA-N 238.287 2.057 0 40 BEAB Cc1ccc(CC(=O)N2CC(C(F)F)C2)cc1 585392124 ZBKFTLNFOIZDDD-UHFFFAOYSA-N 239.265 2.261 0 40 BEAB Cc1ncn(-c2cc(Cl)ccc2F)n1 2362803615 PUDDHKCBKWYALK-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB Cc1ccc2c(c1)C(C)(C)[C@@H](C)N2CCC(N)=O 38029 WNCSSGVZGHWWRX-LLVKDONJSA-N 246.354 2.357 0 40 BEAB CNC(=O)Nc1nc2ccc(OC)cc2s1 712157 FBYMWYBOTQNVPE-UHFFFAOYSA-N 237.284 2.056 0 40 BEAB CCc1oc(C(=O)O)cc1CN(CC)CC 814651 MMXNBMVJYDEHTF-UHFFFAOYSA-N 225.288 2.382 0 40 BEAB Brc1ccc(-n2cnnc2)cc1 1462903 BNJQMOVSRWLIJZ-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB c1coc(CNCCCNCc2ccco2)c1 3851151 YYPXZKMLNNLCDL-UHFFFAOYSA-N 234.299 2.142 0 40 BEAB biogenic CCOCCCN[C@H](C)c1ccccn1 4245208 ZOGYYTCOGROGAE-LLVKDONJSA-N 208.305 2.159 0 40 BEAB COc1cc(/C=C/c2ccccn2)oc(=O)c1 5550044 BVBKDHOAOSOEEZ-AATRIKPKSA-N 229.235 2.214 0 40 BEAB CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 11660139 FTHSUVGRFDIIDH-UHFFFAOYSA-N 237.258 2.258 0 40 BEAB C/C=C/c1cc(OC)c2c(c1OC)OCO2 12362791 XKCIPTFOQRVXGG-SNAWJCMRSA-N 222.240 2.466 0 40 BEAB CC1(C)C[C@](C)(O)N(c2ccccc2)C(=O)N1 12390879 RDOFCEJOWIKGLL-ZDUSSCGKSA-N 234.299 2.093 0 40 BEAB O=C(N[C@@H]1CCc2ccccc21)c1ccncc1 13011716 OTRVNEMPYRCSGN-CQSZACIVSA-N 238.290 2.499 0 40 BEAB CO[C@@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 15974659 BDTMQUOWMAHRJI-CQSZACIVSA-N 231.295 2.338 0 40 BEAB CCC(=O)c1c(C)cc(C)nc1N1CCOCC1 19911617 OLWKMFCFJXRCLI-UHFFFAOYSA-N 248.326 2.128 0 40 BEAB Cc1cccc(CNCCN2CCCC2)c1 20126739 UGNVOEOLXRDBEE-UHFFFAOYSA-N 218.344 2.180 0 40 BEAB O=C(O)c1cccn1Cc1ccc(F)cc1 21780630 PDFAKAUXPIKVFC-UHFFFAOYSA-N 219.215 2.374 0 40 BEAB COC(=O)c1ccc(CN2CCCCCC2)o1 22201719 AXZXQVDMDNASHJ-UHFFFAOYSA-N 237.299 2.442 0 40 BEAB O=C(O)[C@H]1C[C@H]1C(=O)c1ccc(Cl)cc1 34214950 NHXPAMGWDIVOJR-BDAKNGLRSA-N 224.643 2.243 0 40 BEAB FC(F)(F)c1ccccc1[C@H]1CNCCO1 36965104 SZXNAYXZJDWGIJ-SNVBAGLBSA-N 231.217 2.366 0 40 BEAB in-vitro CNC1(C(=O)O)CCC(c2ccccc2)CC1 37180417 OKVMRBSCEJJLIA-UHFFFAOYSA-N 233.311 2.387 0 40 BEAB biogenic,in-vitro C[C@H](CNCc1cccnc1)CN1CCCCC1 37997552 OMEXQXIGXFRUOM-CQSZACIVSA-N 247.386 2.293 0 40 BEAB COc1ccc(CN(C)C(=O)C2CC2)cc1F 40461307 DKAYZXYLNSMOOV-UHFFFAOYSA-N 237.274 2.203 0 40 BEAB COc1ccc(CNc2ccncn2)cc1OC 40863141 LDULTEAGAXEHQI-UHFFFAOYSA-N 245.282 2.106 0 40 BEAB in-vitro O=C(Nc1cccc(-n2cccn2)c1)NC1CC1 48488864 GEXATVQMWIYNLQ-UHFFFAOYSA-N 242.282 2.156 0 40 BEAB CCOC(=O)[C@@H](C#N)c1cc(F)ccc1OC 49828434 RWPADEGDFKYVGA-JTQLQIEISA-N 237.230 2.005 0 40 BEAB O=C(O)c1cn(-c2ccccc2Cl)cn1 50225876 DFAREVWQTCPEIJ-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB COc1cccc(C(=O)N[C@@H](C)C(C)C)c1 57159808 ADQOSBRGVMJZPE-JTQLQIEISA-N 221.300 2.470 0 40 BEAB CC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)OC1=O 57514569 LVAJVEXGXPATDJ-WDEREUQCSA-N 222.215 2.019 0 40 BEAB COc1ccc(OC)c([C@H](CN)OC(C)C)c1 62711758 SJSCPCODLNQNHM-ZDUSSCGKSA-N 239.315 2.129 0 40 BEAB CCO[C@@H](CN)c1ccc(F)cc1F 62711910 CJDWEDMCTZKSBO-JTQLQIEISA-N 201.216 2.001 0 40 BEAB CCCNC(=O)N[C@@H](C)c1cccc(O)c1 68556334 BANRENMIBKWENG-VIFPVBQESA-N 222.288 2.162 0 40 BEAB COc1cccc(SCCN(C)C)c1 69434031 AWXUICMJAPSMDW-UHFFFAOYSA-N 211.330 2.349 0 40 BEAB CC(C)N1CCC(N(C)Cc2cccnc2)CC1 69489484 LGCPWTSCSQHJJW-UHFFFAOYSA-N 247.386 2.386 0 40 BEAB CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 73189949 GKMSKOKQHRLOJO-OLZOCXBDSA-N 249.358 2.339 0 40 BEAB CCO[C@H](C)c1nc(Cn2cccn2)cs1 76062596 DBYINZLBBPDVHL-SECBINFHSA-N 237.328 2.485 0 40 BEAB CNC(=O)c1ccccc1NCc1cccnc1 78794116 PDEVATDJJQHYEW-UHFFFAOYSA-N 241.294 2.053 0 40 BEAB CC(C)(NC(=O)c1ccccc1)C(C)(C)C(=O)O 87622473 IJPGGYNRSGUCJS-UHFFFAOYSA-N 249.310 2.306 0 40 BEAB Cc1cc(CN(C)c2ncccc2F)no1 91429059 ZPSXAHJHJFWXCZ-UHFFFAOYSA-N 221.235 2.154 0 40 BEAB CNC(=O)c1cc(Br)c(Cl)o1 95094140 VYDJQGLCLWPPNT-UHFFFAOYSA-N 238.468 2.055 0 40 BEAB C[C@H](OC1CCCCC1)C(=O)N1CCCC1 95397170 PBDXDKXDZAMASC-NSHDSACASA-N 225.332 2.347 0 40 BEAB CCOC(=O)C(=O)c1ccc(OCC)cc1C 95730617 DOEJPGAZCQWBBE-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB FC(F)(F)c1ccccc1OCC1OCCO1 95733784 HBSPXSMAWFESER-UHFFFAOYSA-N 248.200 2.457 0 40 BEAB Cc1cccc(CCN2CCCC[C@H]2CN)c1 96523607 PIGKZGZRKXKUST-HNNXBMFYSA-N 232.371 2.351 0 40 BEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1 100634399 BJAKPGOJIDRMHT-BBBLOLIVSA-N 205.257 2.198 0 40 BEAB Cc1ccnc(N2Cc3ccccc3C2)n1 122962748 XUWULXXVIUHQNF-UHFFFAOYSA-N 211.268 2.305 0 40 BEAB OC1(Cc2cc(F)cc(F)c2)CCOCC1 164784483 YJYCVIKOBLIHDV-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB Oc1cc(F)ccc1OCC(F)(F)F 169795936 YFDWJOXJTKUILT-UHFFFAOYSA-N 210.126 2.472 0 40 BEAB CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 221224873 ZZRYPMYWCVOBGA-VHSXEESVSA-N 229.320 2.014 0 40 BEAB Cc1ccc(NC(=O)c2cnc(C)nc2)cc1 222587308 MMWHSAXUDXWJCD-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB COCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 223158945 NYPZSKGFBKLNOU-NSHDSACASA-N 221.300 2.127 0 40 BEAB Oc1c(Cl)cc(Cl)cc1-n1cnnc1 226281263 JYTXZDKEEDVERR-UHFFFAOYSA-N 230.054 2.280 0 40 BEAB CC(C)NC(=O)c1cn(-c2ccccc2)cn1 227115869 QWAZRYSMUDICAC-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB COC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)o1 252482805 DODIDWUMCFJTLM-NWDGAFQWSA-N 237.299 2.019 0 40 BEAB Cc1ccncc1CN(C)CCOCC(C)C 252486864 HPNUIQJMQCBVFY-UHFFFAOYSA-N 236.359 2.494 0 40 BEAB COc1ccccc1CNc1c(C)cnn1C 256052508 NPELAAJMRJSQGP-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB Cc1noc(C)c1CN1CCCC12CCNCC2 257653946 DXUBUSVWUCVWQW-UHFFFAOYSA-N 249.358 2.009 0 40 BEAB CC(C)[C@@H]1CCN1C(=O)CCc1cccnc1 537250399 DOBPZYHLGVIKIY-ZDUSSCGKSA-N 232.327 2.271 0 40 BEAB COC(=O)CCCC(=O)c1ccc(F)cc1F 575361733 AVAJBCFFFVTICH-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CCn1cc(CNC(=O)OC(C)(C)C)c(C)n1 575410783 HPBFRWMUDAEESV-UHFFFAOYSA-N 239.319 2.236 0 40 BEAB COC(=O)c1cc(Cl)cnc1OC(C)C 642814663 QAFBCOUXQHKTJP-UHFFFAOYSA-N 229.663 2.309 0 40 BEAB O=C(O)CCC(=O)Nc1cccc2ncccc12 417946 ILCBYDQITDKXCT-UHFFFAOYSA-N 244.250 2.038 0 40 BEAB O=C(C1CC1)n1oc(=O)cc1-c1ccccc1 1386453 ZBKXYYSVLIZTAV-UHFFFAOYSA-N 229.235 2.159 0 40 BEAB OCc1cccc2c1[C@H](O)c1ccccc1-2 2037078 USEOUBUSZWOIMD-CQSZACIVSA-N 212.248 2.241 0 40 BEAB O=C(O)[C@H](O)c1ccc(-c2ccccc2)cc1 2046525 JLZDBGVLWCMKMH-CYBMUJFWSA-N 228.247 2.472 0 40 BEAB CCn1nccc1CNCc1ccccc1 2536109 BNQPMGKGUUKXKP-UHFFFAOYSA-N 215.300 2.193 0 40 BEAB Cn1cc(CNc2ccccc2F)cn1 2536134 VYOCAVJEXNXVJM-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO1 2773679 VWFLYEWALAAOCG-OCCSQVGLSA-N 247.338 2.303 0 40 BEAB COc1ccc([C@H](O)[C@H](O)c2ccccc2)cc1 3852407 JDBJGKZPEUFETH-CABCVRRESA-N 244.290 2.462 0 40 BEAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 4628334 LFNKEMHLHNYJOK-MFORYBBRSA-N 249.354 2.250 0 40 BEAB NC1(c2ccc(Cl)cc2)CCOCC1 11884036 IQQJXGCJVZABIF-UHFFFAOYSA-N 211.692 2.304 0 40 BEAB in-vitro O=C1NC(=O)/C(=C\c2ccccc2F)S1 12341800 HWSHSFNYTZXIGL-VMPITWQZSA-N 223.228 2.150 0 40 BEAB N[C@@H](CC(=O)N1CCCCC1)c1ccccc1 19485588 PUHIDTBBRRCERC-ZDUSSCGKSA-N 232.327 2.089 0 40 BEAB C[C@H](Nc1ccc(C(C)(C)C)cc1)C(N)=O 20307773 XQHRYMZFIFTAFR-VIFPVBQESA-N 220.316 2.270 0 40 BEAB O=C(O)[C@H]1CC(c2ccc3ccccc3c2)=NO1 20594074 USWIOJQJTBCIDO-CYBMUJFWSA-N 241.246 2.417 0 40 BEAB NC(=S)c1ccccc1OC(F)(F)F 21953908 WVRLRVCJDVSKRC-UHFFFAOYSA-N 221.203 2.219 0 40 BEAB CCOC(=O)c1c(C)[nH]c2c1C(=O)CCC2 22126435 OGMOSPRTOKGUST-UHFFFAOYSA-N 221.256 2.019 0 40 BEAB Cc1cn(-c2ccccc2)c(C)c(C(=O)O)c1=O 31670228 LLONNJKYDIEJTK-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB O=C(NCC1CC1)NCC1(c2ccccc2)CC1 32779712 XXGVZAIKAOUWOE-UHFFFAOYSA-N 244.338 2.427 0 40 BEAB O=C(Nc1cn[nH]c1)c1ccc(Cl)s1 35237554 YISZNAJFYYEAIB-UHFFFAOYSA-N 227.676 2.377 0 40 BEAB NC(=O)[C@H](NC1CCCCC1)c1ccccc1 37855723 XGWSOHUPUKOODX-CYBMUJFWSA-N 232.327 2.135 0 40 BEAB COc1ccccc1[C@H](CN)N1CCCCC1 38341994 PCQCMHDWEYJAET-ZDUSSCGKSA-N 234.343 2.181 0 40 BEAB OCCn1ccc2cc(Br)ccc21 39151117 VQBGZOPEJRCONC-UHFFFAOYSA-N 240.100 2.396 0 40 BEAB O=C1OCc2cc(C(F)(F)F)ccc21 39215715 LUJFGQYYROYBCI-UHFFFAOYSA-N 202.131 2.376 0 40 BEAB C=CC(=O)N[C@H](C)c1sc(C)nc1C 40518938 BQXNYBHZOZTEFJ-SSDOTTSWSA-N 210.302 2.123 0 40 BEAB CC(C)(C)c1ccc(COC2CNC2)cc1 42769806 ZGSBOOPOQUVWBV-UHFFFAOYSA-N 219.328 2.473 0 40 BEAB CCOC(=O)[C@@H](C)N(C)Cc1ccccc1 43638480 UVUIFQSYHWKBHE-LLVKDONJSA-N 221.300 2.070 0 40 BEAB COC1CCN(C(=O)c2cc(C)oc2C)CC1 44451327 SAYCDLGYLLUQNP-UHFFFAOYSA-N 237.299 2.147 0 40 BEAB Cc1ccsc1C(=O)N1C[C@H](C)OC[C@H]1C 45445916 MZHBLKBTMIASOU-ZJUUUORDSA-N 239.340 2.306 0 40 BEAB Cc1ccccc1-c1cnn(CCCN)c1 49815876 INPRBYVQZMZMBI-UHFFFAOYSA-N 215.300 2.207 0 40 BEAB CNC[C@@H](OC1CCOCC1)c1ccccc1 50485757 VCTLGPIHMRJJOH-CQSZACIVSA-N 235.327 2.143 0 40 BEAB COc1c(N)cc(C(C)(C)C)cc1C(=O)O 57339104 GQIOXNYWSIARES-UHFFFAOYSA-N 223.272 2.273 0 40 BEAB Cc1nc(COc2ccccc2F)no1 57681115 ALAVXZSLTNNBBC-UHFFFAOYSA-N 208.192 2.096 0 40 BEAB CC(C)c1ccc(CN(C)S(C)(=O)=O)cc1 58314155 CHCRLEJZPJQROU-UHFFFAOYSA-N 241.356 2.201 0 40 BEAB CCCSc1nnnn1Cc1cccs1 58358356 JFDYXNSICIUVBG-UHFFFAOYSA-N 240.357 2.285 0 40 BEAB CCNC(=O)c1ccc(-c2ccco2)nc1C 69563555 QOQWVZKHWLHTBU-UHFFFAOYSA-N 230.267 2.400 0 40 BEAB Cc1ccccc1[C@@](C)(CO)N1CCCC1 70453404 DHTJXKYDYAABLI-CQSZACIVSA-N 219.328 2.298 0 40 BEAB CC(=O)c1c(Cl)nc2sccn12 71373522 NFZUUAPVPDUAPV-UHFFFAOYSA-N 200.650 2.252 0 40 BEAB in-vitro CC1(C)CN(c2ccnc(C(C)(C)C)n2)CCO1 72307817 WEPWRSZMPNTBRA-UHFFFAOYSA-N 249.358 2.389 0 40 BEAB C1CC(Nc2nc(C3CC3)ns2)CCO1 83653379 DUJDAIHLWNKQBB-UHFFFAOYSA-N 225.317 2.006 0 40 BEAB Cc1[nH]ncc1C(=O)N1CCC[C@H]2CCC[C@@H]21 87782134 PXLOMUMDRSEITK-PWSUYJOCSA-N 233.315 2.123 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@H](C)c1ncon1 95994430 JONQGUYAKLLOFZ-SNVBAGLBSA-N 245.282 2.177 0 40 BEAB CC(C)NC[C@H]1COCc2nc3ccccc3n21 96112708 APZSAUXUGKUQHU-NSHDSACASA-N 245.326 2.106 0 40 BEAB biogenic,in-vitro COCCc1noc(C2(c3ccccc3)CC2)n1 96449309 XOYRYSONPDSMJZ-UHFFFAOYSA-N 244.294 2.338 0 40 BEAB O=C1[C@@H]2CC[C@@H]1CN(Cc1ccccc1)C2 100005734 DCDAOVIVXGHHHU-CHWSQXEVSA-N 215.296 2.098 0 40 BEAB CC[C@H](C[C@@H]1COC(N)=N1)c1ccccc1 113978351 IXDKFUBXESWHSL-ZYHUDNBSSA-N 218.300 2.284 0 40 BEAB NCc1c(Br)sc2c1CCC2 132835023 ADSMJBCHSYKWKM-UHFFFAOYSA-N 232.146 2.458 0 40 BEAB CC(C)Cn1cc([C@@H]2CCCCN2)cn1 225775430 KYEMTMCELROSOM-LBPRGKRZSA-N 207.321 2.354 0 40 BEAB Cc1cc(F)cc(I)n1 228980978 DZAKILLBXZGFPR-UHFFFAOYSA-N 237.015 2.134 0 40 BEAB CC(C)(C)OC(=O)NCc1nccc(Cl)n1 238179036 XFKXEVLVAPUBOB-UHFFFAOYSA-N 243.694 2.155 0 40 BEAB C[C@H](N)[C@H]1C[C@H]1c1ccc2c(c1)CCO2 242400308 ATVUCOFCESBIAI-AXTRIDKLSA-N 203.285 2.072 0 40 BEAB Cc1c[nH]c([C@H]2CCCN2C2CCOCC2)n1 257327895 XDFDWTKNHIXPNS-GFCCVEGCSA-N 235.331 2.034 0 40 BEAB O=C(O)c1c(Cl)cnn1CCC(F)(F)F 408715815 FBXWZGAISXZUNL-UHFFFAOYSA-N 242.584 2.187 0 40 BEAB CCn1[nH]c(=N)cc1C(=O)C1CCCCCC1 408716492 NPJYVSPIAKZUGV-UHFFFAOYSA-N 235.331 2.469 0 40 BEAB CN=c1ccc(-c2cccc(CCOC)c2)c[nH]1 521398313 HDERHWOVHGYCHW-UHFFFAOYSA-N 242.322 2.401 0 40 BEAB O=Cc1ccc(C(F)(F)F)c(F)c1O 604221571 KJBMZHGOVFJOMZ-UHFFFAOYSA-N 208.110 2.363 0 40 BEAB CCOc1ccc(-c2ncn(C)n2)c(F)c1F 2362801374 GVAOXWQXYWXBIE-UHFFFAOYSA-N 239.225 2.159 0 40 BEAB CCc1cccc2c(C=O)cn(CC(=O)OC)c12 807320 SPDGIZLKFKOWEC-UHFFFAOYSA-N 245.278 2.189 0 40 BEAB C[C@H]1Cc2c(nc3ccccc3c2O)O1 2030666 KNRXPIWXKFOEGF-ZETCQYMHSA-N 201.225 2.264 0 40 BEAB Cc1ccc(C)c(-n2nc(C)cc2N)c1 3278430 OAECJVRTCWGNCR-UHFFFAOYSA-N 201.273 2.380 0 40 BEAB in-vitro CC(C)CCOC(=O)c1ccc(N)cc1 3620797 DVPONJRILZFUGU-UHFFFAOYSA-N 207.273 2.472 0 40 BEAB O=C1c2ccccc2C(=O)N1C/C=C\Cl 5065175 FMJZFRSTADBDHL-UTCJRWHESA-N 221.643 2.035 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)/C=C/C(=O)O 5218435 KFLFGXYJSLVOCF-SNAWJCMRSA-N 239.658 2.228 0 40 BEAB O=C1C[C@@H](c2ccccc2)[n+]2ccccc21 5488235 UWJFHXCPAWJRIZ-ZDUSSCGKSA-N 210.256 2.150 0 40 BEAB CCc1nn2c(-c3cccs3)nnc2s1 6668737 SSDFNRDTAXRAFK-UHFFFAOYSA-N 236.325 2.477 0 40 BEAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCO1 12982565 UOFWAPXVZQBOSB-AAEUAGOBSA-N 233.311 2.351 0 40 BEAB Cc1c(C[C@H](C)N)c2ccccc2n1C 13693683 CLZHWBQVJZPBRH-VIFPVBQESA-N 202.301 2.376 0 40 BEAB Cc1nc([C@@H]2CCCNC2)cc(C(F)(F)F)n1 19686142 IPONGEIBLCWUNQ-MRVPVSSYSA-N 245.248 2.271 0 40 BEAB Cc1cc(C=O)c(C)n1Cc1ccc(C(=O)O)o1 20447537 IQMJAHPAGCDQLY-UHFFFAOYSA-N 247.250 2.257 0 40 BEAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(O)cc2)C1 20732790 KEAARDSWPOQPFH-SECBINFHSA-N 229.239 2.239 0 40 BEAB CON(C)C(=O)Cc1c(C)[nH]c2ccccc12 32796738 MPSMNTDAAJYFBJ-UHFFFAOYSA-N 232.283 2.039 0 40 BEAB CONC(=O)Cc1c(C)nc2ccccc2c1C 32848425 YKAIRXVZJYSXIK-UHFFFAOYSA-N 244.294 2.072 0 40 BEAB COc1ccc2c(c1)CC[C@H]2CC(=O)O 35259719 GUAFHEKEEYSSJU-VIFPVBQESA-N 206.241 2.200 0 40 BEAB Clc1cc2nnc(-c3ccccc3)n2cn1 36903849 IIPKMOYEGNSODC-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB in-vitro Cc1n[nH]cc1CN[C@@H]1CCc2ccccc21 37878787 YPRXJYOHGHDTGF-CQSZACIVSA-N 227.311 2.495 0 40 BEAB CC1(C)[C@]2(C)CC[C@@]1(C)[C@H](O)[C@H]2CC(=O)O 39570805 JCOFTFYOJOBBQY-DXLKZPDWSA-N 226.316 2.284 0 40 BEAB CN(C)C(C)(C)CNC(=O)/C=C/c1ccccc1 40459803 BPQDRZUWCPDZSJ-ZHACJKMWSA-N 246.354 2.156 0 40 BEAB O=C(c1ccco1)N1CCO[C@@H]2CCCC[C@@H]21 41194580 FVODVCOPXMIWGK-WDEREUQCSA-N 235.283 2.063 0 40 BEAB Cc1ccc(C)c(OCc2cc(N)n(C)n2)c1 41257555 QWKHAPGUAWCUOU-UHFFFAOYSA-N 231.299 2.198 0 40 BEAB O=C(Nc1cc[nH]n1)Nc1ccccc1F 42414585 NGORCYQTWAUKAQ-UHFFFAOYSA-N 220.207 2.193 0 40 BEAB CCCC(CCC(=O)O)(CCC(=O)O)C(C)=O 45028182 HLKYDGZQCWSECQ-UHFFFAOYSA-N 244.287 2.092 0 40 BEAB Cc1ccc2c(c1)CCCN2C(=O)c1cc[nH]n1 47989063 AUUBQYMRRURQTH-UHFFFAOYSA-N 241.294 2.311 0 40 BEAB Cc1cc([C@H]2CCCN2Cc2nnc(C)o2)on1 48275672 RIWBXPROZQXCIW-SNVBAGLBSA-N 248.286 2.012 0 40 BEAB C[C@]1(c2cc(F)ccc2F)C[C@H]1C(=O)O 49815100 HVVFKZKWIQXEFG-GZMMTYOYSA-N 212.195 2.327 0 40 BEAB Cc1cnn(CCNCc2sccc2C)c1 53534743 WVCMEDLGABBBNG-UHFFFAOYSA-N 235.356 2.351 0 40 BEAB O=CN1CCCC[C@@H]1c1ccc[nH]c1=S 72217094 RQCCYOAJQLBUBP-SNVBAGLBSA-N 222.313 2.428 0 40 BEAB Cc1nc([C@@H]2CCCCN2C)cc(N(C)C)n1 72382317 XGMMQXPZGQGAIZ-LBPRGKRZSA-N 234.347 2.008 0 40 BEAB COc1ccc(F)c(C(=O)O)c1Br 75852039 SSMGTGKYPYIDGX-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB CON(C)C(=O)/C(C)=C/c1ccccc1 83291142 LOVQZHZPDWYZKN-MDZDMXLPSA-N 205.257 2.110 0 40 BEAB Cc1oc(CCC(=O)O)cc1Br 85393683 ROIGQQWBSMZAPK-UHFFFAOYSA-N 233.061 2.368 0 40 BEAB CCOC(=O)[C@@H](C)C(=O)c1ccccc1OC 85396775 GIPVEPYDGKDABQ-VIFPVBQESA-N 236.267 2.077 0 40 BEAB CCC1(CC)CCN(C(=O)[C@@]2(C)CCCN2)C1 94802154 XBDYXOBDAPECAY-CYBMUJFWSA-N 238.375 2.167 0 40 BEAB O=C(O)C1(c2ccncc2C(F)(F)F)CC1 95094303 CCLBNOIIXYQKLG-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB CS[C@@H]1CCCCN(C2CCOCC2)C1 95457143 ZUABDSUTLQQXNA-GFCCVEGCSA-N 229.389 2.383 0 40 BEAB O=Cc1ccc(F)cc1COC[C@H]1CCCO1 95738718 HWDAWAOLBWVPCX-CYBMUJFWSA-N 238.258 2.334 0 40 BEAB O=C(O)C1(CCOCc2ccccc2)CC1 95883613 HUFDBLNVIRUMQA-UHFFFAOYSA-N 220.268 2.458 0 40 BEAB in-vitro O=C(Nc1ccncc1F)C1=CCCC1 96007549 YDMXCEILACAGEU-UHFFFAOYSA-N 206.220 2.270 0 40 BEAB COC[C@@H](NC(=O)c1ccoc1)c1ccc(C)o1 96445124 JJBBSHCYJIDLOX-LLVKDONJSA-N 249.266 2.299 0 40 BEAB CS(=O)(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 96510112 DSGGSQLUTHOFJP-VHSXEESVSA-N 230.716 2.241 0 40 BEAB CCC(CC)(CNC(=O)c1ccccc1)C(=O)O 97020627 GXIJXBZROHUHNP-UHFFFAOYSA-N 249.310 2.307 0 40 BEAB CCCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 102846823 SHHQWCFPXBMQNF-UWVGGRQHSA-N 241.718 2.304 0 40 BEAB COCCNCc1cccn1-c1ccc(F)cc1 223683883 MAOASTXJZKGWSS-UHFFFAOYSA-N 248.301 2.352 0 40 BEAB C[C@H](CC(=O)c1ccccc1)NC(=O)[C@@H]1C[C@H]1C 248163302 MYYFCSUERNVDTI-NQBHXWOUSA-N 245.322 2.420 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1cncc(Cl)c1 252483216 DXKABCCNKZTURV-KCJUWKMLSA-N 226.707 2.175 0 40 BEAB NC(=S)Cc1cncc2ccccc12 604938961 RHOJSUMZMJPRGR-UHFFFAOYSA-N 202.282 2.063 0 40 BEAB O[C@]1(C(F)(F)F)CCCc2ncccc21 1772715305 SXVFVSWRZWJESD-SECBINFHSA-N 217.190 2.168 0 40 BEAB CS(=O)(=O)c1ccc(C(F)F)cc1 1857793724 WFNAIZIOBLIYIW-UHFFFAOYSA-N 206.213 2.028 0 40 BEAB Cc1ccc(N2CC(Cn3ccnc3C)C2)nc1 2298178390 XEFYNDPWEWPFEL-UHFFFAOYSA-N 242.326 2.031 0 40 BEAB C[C@@H](O)/C=C/c1ccc2ccccc2[n+]1C 47472 IUWUOTAPBHIDDL-MXMFLMJRSA-N 214.288 2.058 0 40 BEAB c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 341512 YCUDSFUXMCHWQI-UHFFFAOYSA-N 236.278 2.388 0 40 BEAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCO1 483430 WQLUHPVQWCBGFK-JTQLQIEISA-N 227.210 2.082 0 40 BEAB Cc1ccc(SC2=CCS(=O)(=O)C2)cc1 1395904 ADBQTBMQSNUQBA-UHFFFAOYSA-N 240.349 2.399 0 40 BEAB Cc1cc(O)ccc1C1=[N+](C)C[C@H](C)S1 1725058 WFSDNAKTGJFGMO-VIFPVBQESA-O 222.333 2.225 0 40 BEAB COc1ccc([C@H](O)P(=O)(OC)OC)cc1 2045546 CZWPPMLDIAGXJH-SNVBAGLBSA-N 246.199 2.172 0 40 BEAB CCOC(=O)[C@](C)(F)C(=O)c1ccccc1 2518342 OFSFPYILRKIMON-GFCCVEGCSA-N 224.231 2.161 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)[C@@H](COC=O)C1=O 3845736 DPTQSWAQNRRPEA-GARJFASQSA-N 212.289 2.047 0 40 BEAB biogenic COC(=N)NC(=O)c1ccc(Cl)cc1Cl 5526073 OZHDRBRCUQWMSE-UHFFFAOYSA-N 247.081 2.304 0 40 BEAB CCCO[C@@H]1NC(=O)Oc2ccccc21 5664461 FGDXECWDQRSJOE-JTQLQIEISA-N 207.229 2.214 0 40 BEAB O=C(O)c1cccnc1N1CCCCCC1 5762834 BVAHKSJTGCVOAU-UHFFFAOYSA-N 220.272 2.160 0 40 BEAB in-vitro CC(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1 6880278 BVHXANRJPBOUBU-VIFPVBQESA-N 231.251 2.302 0 40 BEAB CCOC(=O)c1ccoc1C(F)(F)F 8253106 VETYPAIUONGOHC-UHFFFAOYSA-N 208.135 2.475 0 40 BEAB CCC[C@H](Nc1cccc(OC)c1)C(=O)O 8702790 ZWYRFHTWKJDCSC-NSHDSACASA-N 223.272 2.360 0 40 BEAB Cn1ncc2c(Nc3ccccc3F)ncnc21 9532052 GNJJTUVOGUPYRF-UHFFFAOYSA-N 243.245 2.246 0 40 BEAB Cc1ccc(NC(=O)Nc2cnsn2)cc1 9668633 AGDZDHRMEAPFMM-UHFFFAOYSA-N 234.284 2.491 0 40 BEAB CNCC1CCN(Cc2cccs2)CC1 11889144 JXFQDIBOGWDEEL-UHFFFAOYSA-N 224.373 2.180 0 40 BEAB in-vitro CC[C@@H](Cc1ccccc1OC)C(=O)O 11976765 LFVQHXJQEVHTDE-VIFPVBQESA-N 208.257 2.349 0 40 BEAB CC(C)C(=O)NC[C@H](c1ccsc1)N(C)C 13011241 ZAWIORCDIZQMDB-LLVKDONJSA-N 240.372 2.123 0 40 BEAB C[C@H](C(=O)O)[C@H](C(=O)O)[C@@H](C)c1ccccc1 13575637 AOOUEKJMMFRAPN-ATZCPNFKSA-N 236.267 2.212 0 40 BEAB CC(=O)Nc1cc(C)c2nc(N)sc2c1 20352353 HUBPSPGWHVBPTM-UHFFFAOYSA-N 221.285 2.145 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@@H](C)O)cc1OC 20392386 ASXMOCXJDQURGK-DVVUODLYSA-N 222.284 2.188 0 40 BEAB CN(C)C(=O)c1ccc2c(c1)CCCC2 33645137 KAADKZYWWJZNRV-UHFFFAOYSA-N 203.285 2.267 0 40 BEAB NCCc1nc2cc(Cl)c(Cl)cc2[nH]1 36474095 MVPYYEUXRDFJQJ-UHFFFAOYSA-N 230.098 2.371 0 40 BEAB CCOCCNCc1cccc(F)c1F 36888604 PPDJJILNDLBBNH-UHFFFAOYSA-N 215.243 2.091 0 40 BEAB CC(C)CCC(=O)NCc1cccc(C(=O)O)c1 37716533 JTOMWLOLXMTHLO-UHFFFAOYSA-N 249.310 2.437 0 40 BEAB FC(F)(F)c1ccc(N2CCCCC2)nn1 40448197 FCWFBCWODHGNTP-UHFFFAOYSA-N 231.221 2.486 0 40 BEAB Cc1nnc(CSc2nccn2C2CC2)o1 40485824 CSJYYTZUIQFLCK-UHFFFAOYSA-N 236.300 2.202 0 40 BEAB CC(C)CO[C@H](C)C(=O)NC1CCCCC1 40521110 MEUGAQAANFMQGX-LLVKDONJSA-N 227.348 2.496 0 40 BEAB CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C 41174390 XKDIIOVLCBFMFF-CYBMUJFWSA-N 233.311 2.385 0 40 BEAB CC(C)CO[C@@H](C)C(=O)NCc1cccs1 42381538 CFSJFJNTJBQYFE-JTQLQIEISA-N 241.356 2.425 0 40 BEAB Brc1ccnc(OC2CCC2)n1 44117215 HYGQIEPEHIEXPQ-UHFFFAOYSA-N 229.077 2.170 0 40 BEAB COCCN(C(=O)c1ccoc1)C1CCCC1 45513124 QYRLXXDLWWYKNP-UHFFFAOYSA-N 237.299 2.311 0 40 BEAB COc1ncccc1NC(=O)C1CCCC1 48783317 DXNXDXZGHYGCSW-UHFFFAOYSA-N 220.272 2.219 0 40 BEAB O[C@@H](c1cc2ccccc2o1)[C@@H]1CCCNC1 58041505 ZGCFKLXAAGUOFV-BXUZGUMPSA-N 231.295 2.466 0 40 BEAB CCCOC(=O)[C@@H](c1ccccc1)n1cccn1 65661223 VDXAMWKKUIJGCR-CYBMUJFWSA-N 244.294 2.426 0 40 BEAB CONC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 71915878 RWRLPWVOSOCGRT-STQMWFEESA-N 248.326 2.258 0 40 BEAB CCCC[C@@H](CC)C(=O)N1CCN[C@@H](C)C1 71978903 SEWVWPDQTJUGNR-NWDGAFQWSA-N 226.364 2.023 0 40 BEAB CCNC[C@@H]1CCCCN1C(=O)OC(C)(C)C 72194522 DNPZZKUZHMYHOZ-NSHDSACASA-N 242.363 2.386 0 40 BEAB Cc1nc(O)ccc1[C@@H](N)c1ccccc1 72224810 HWEYITIXZKVIAN-ZDUSSCGKSA-N 214.268 2.144 0 40 BEAB CN(CC1CCCC1)C(=O)c1cscn1 78487884 RCSIISCUKWFAPY-UHFFFAOYSA-N 224.329 2.405 0 40 BEAB Cc1c(Cl)nc(N(C)C)nc1Cl 82164730 JYFSQUKOJVZDJE-UHFFFAOYSA-N 206.076 2.158 0 40 BEAB in-vitro O=C1C[C@@H](c2ccccc2Br)CN1 83134682 MBGRERPJWBLZCP-SSDOTTSWSA-N 240.100 2.053 0 40 BEAB CCCN(C)[C@H](C)CNC(=O)OC(C)(C)C 84750241 SQHCSVSQYJFTDJ-SNVBAGLBSA-N 230.352 2.241 0 40 BEAB CS[C@H](C(=O)NCc1ccco1)C(C)C 95425873 YANIOGFCFYURBT-JTQLQIEISA-N 227.329 2.283 0 40 BEAB O=C1Nc2ccc(Br)cc2C1(F)F 95774129 NQVFCXSWOMDLAY-UHFFFAOYSA-N 248.026 2.493 0 40 BEAB CC(C)(C)c1cc(N)n(Cc2ccccn2)n1 95883680 BDHYFKFJMIHAHX-UHFFFAOYSA-N 230.315 2.206 0 40 BEAB in-vitro Nc1nc(Cl)c(Br)nc1Cl 95935683 XNMDHWGZTPXFNH-UHFFFAOYSA-N 242.891 2.128 0 40 BEAB CO[C@H]1Sc2ccccc2NC(=O)[C@@H]1F 96171727 FYKUWOGIAABHAR-WPRPVWTQSA-N 227.260 2.041 0 40 BEAB COCCc1noc([C@H]2CC=CCC2)n1 96405250 IRCZYLYIJLVYBX-VIFPVBQESA-N 208.261 2.082 0 40 BEAB C[C@H]1CCCCCN1C(=O)C1CCOCC1 96406136 NMFKDLIKBIUNLY-NSHDSACASA-N 225.332 2.204 0 40 BEAB CCNC(=O)CCc1ccc(C)c(C)c1 96621710 FPOQJPMYWMEJLU-UHFFFAOYSA-N 205.301 2.372 0 40 BEAB C[C@H](CCn1cccn1)OC(=O)c1ccco1 97050244 BHWQTWXJVIBPJR-SNVBAGLBSA-N 234.255 2.112 0 40 BEAB C[C@@H]1C[C@H]1CN(C)CCc1nccs1 97105600 BSEGEYZFKXXRSQ-ZJUUUORDSA-N 210.346 2.273 0 40 BEAB CC[C@@H](C)N1CCN(c2cc(C3CC3)n[nH]2)CC1 192832317 WZHDNTHRYNERQR-LLVKDONJSA-N 248.374 2.208 0 40 BEAB Cc1ccnc(OCC2CCOCC2)c1 202711980 IXWGURYQMIPLNM-UHFFFAOYSA-N 207.273 2.195 0 40 BEAB C[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)C[C@@H]1O 217891780 UTINLICILIBKRJ-PTRXPTGYSA-N 229.320 2.061 0 40 BEAB C[C@@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](CN)[C@@H]12 225761640 ULMGXBABGMHAEG-SQQIUAQRSA-N 237.265 2.185 0 40 BEAB Nc1n[nH]c2cc(F)cc(Br)c12 261508548 UNCJKLMJNRTBKA-UHFFFAOYSA-N 230.040 2.047 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@H]3C2)nnc1C 302273861 HJUSMQIIFQVQTG-TXEJJXNPSA-N 217.316 2.330 0 40 BEAB CCCCn1cc(Cl)c(COC)n1 408715634 YEILFAUPMPIPSR-UHFFFAOYSA-N 202.685 2.483 0 40 BEAB C1=C[C@@H]2C[C@H]1C[C@H]2CSc1cnn[nH]1 521395289 WHKJLVCKCPMSBA-YIZRAAEISA-N 207.302 2.109 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](O)CC[C@H]21 1083104375 PDQMRWNTTPSWKZ-HBNTYKKESA-N 241.331 2.157 0 40 BEAB COc1ccc(Nc2ncnc3[nH]cnc23)cc1 32156 URMMHFZNJDOMHC-UHFFFAOYSA-N 241.254 2.105 0 40 BEAB CC(C)n1c(S)nc2ccc(F)cc2c1=O 425278 KVVFRIOQTCEYMS-UHFFFAOYSA-N 238.287 2.405 0 40 BEAB CC[C@H](OC(C)=O)c1ccc2c(c1)OCO2 1693683 YDTOHZACIWPXLF-JTQLQIEISA-N 222.240 2.430 0 40 BEAB CCCCOCCCNC(=O)c1cccnc1 3310282 QLEJNGIIWKKOTP-UHFFFAOYSA-N 236.315 2.018 0 40 BEAB CC(=O)Nc1ccccc1C(=O)NCC(C)C 5380543 QDXPXWRAURPMDY-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB Fc1ccc(OCc2nnc(S)o2)cc1 6052293 OORHMFJXRFYOKV-UHFFFAOYSA-N 226.232 2.076 0 40 BEAB in-vitro CNC(=S)Nc1ccc(OC)c(Cl)c1 6329446 OWIITWQXWQDDIY-UHFFFAOYSA-N 230.720 2.265 0 40 BEAB O=C(NCCc1ccccc1)Nc1cccnc1 9379467 QJXRSLCGSMJSKQ-UHFFFAOYSA-N 241.294 2.446 0 40 BEAB CC(C)C(=O)c1ccc2c(c1)OCCO2 11631534 KQHIDEMFYOWTLZ-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB COc1ccc(-c2cc(Cl)nc(N)n2)cc1 11919371 QMRKTLQGAWYADU-UHFFFAOYSA-N 235.674 2.388 0 40 BEAB Cc1cc(COC(=O)c2cccc(C)c2O)no1 12909992 QWOLXVLMMHPGQR-UHFFFAOYSA-N 247.250 2.354 0 40 BEAB C[C@@H](NC(=O)C1CCC1)c1ccccn1 15480546 NCIQQQKLPZGKMV-SECBINFHSA-N 204.273 2.059 0 40 BEAB NC[C@@H](Cc1ccccc1)N1CCCCC1 19259690 FXKHWOSKHQXGRP-CQSZACIVSA-N 218.344 2.042 0 40 BEAB CCN(C(=O)[C@H]1CCCNC1)C1CCCCC1 19412433 LYKIUTUMPGTYOK-LBPRGKRZSA-N 238.375 2.167 0 40 BEAB CCN1CCC[C@@H]1CN[C@@H](C)CC(C)C 19959990 PQJZOMSAPMTJFK-QWHCGFSZSA-N 212.381 2.495 0 40 BEAB CCC[C@@H](C)CNC[C@H]1CCCN1CC 20091978 VLHUPRHZIXLLKF-CHWSQXEVSA-N 212.381 2.497 0 40 BEAB COc1cccc(CN[C@@H]2CCCC[C@H]2O)c1 21998205 KITNMKPUMWTLPQ-ZIAGYGMSSA-N 235.327 2.088 0 40 BEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccccc2)no1 24978516 CKXMEERQKUVQFX-SNVBAGLBSA-N 245.282 2.422 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2 25768059 ZTPUEFLZJJXUPA-RNFRBKRXSA-N 222.313 2.226 0 40 BEAB O=C(c1ccc2c(c1)OCO2)C(F)(F)F 34520952 WSTNSHHKYLVOAE-UHFFFAOYSA-N 218.130 2.160 0 40 BEAB O=C(NCC1CCCC1)c1ccncc1 36112758 XGWBANXPQPPXKL-UHFFFAOYSA-N 204.273 2.002 0 40 BEAB Cc1cccc(N[C@@H]2CCCC[C@H]2N)n1 38051139 VWAAFHGBCXJUPN-GHMZBOCLSA-N 205.305 2.072 0 40 BEAB O=Cc1ccc(Br)cc1C=O 39435511 OJHBLBWMMQBLFD-UHFFFAOYSA-N 213.030 2.074 0 40 BEAB CCOC(=O)[C@H]([C@H](C)CC)n1cccc1C=O 40488285 BRPXRASNNBGAHX-PWSUYJOCSA-N 237.299 2.451 0 40 BEAB Cc1nc(CNC(=O)c2ccncc2)sc1C 41569106 CXFJIIVHHVUHEW-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CCc1nc(-c2cccc(C(=O)OC)c2)no1 42684342 ZMZWEVVWKCLHFX-UHFFFAOYSA-N 232.239 2.086 0 40 BEAB CNC(=O)N1CCC[C@@H]1c1ccsc1 44970596 SROYXQDXWAVYDT-SECBINFHSA-N 210.302 2.224 0 40 BEAB C[C@H](Nc1ccc(F)cc1)C(=O)N1CCCC1 55420994 RQEOVEDAIQGRRH-JTQLQIEISA-N 236.290 2.249 0 40 BEAB CC[C@H](C(=O)O)N(CC)c1ccccc1 59970969 UGLKELFAAGRJGP-LLVKDONJSA-N 207.273 2.376 0 40 BEAB Nc1cccnc1-n1cnc(Cl)c1Cl 61714980 DWLPSJGQCYGINQ-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB C[C@@H](Cc1ccc2ccccc2n1)C(=O)O 62571890 VRXNANVZVYGLDK-VIFPVBQESA-N 215.252 2.498 0 40 BEAB CCSc1ncc(CN[C@@H](C)CC)cn1 62717303 GFNOPXYSDSSSFX-VIFPVBQESA-N 225.361 2.477 0 40 BEAB O=C1OCCN1CCCN1CCCCCCC1 65949333 UAYGFQVGVKETBZ-UHFFFAOYSA-N 240.347 2.095 0 40 BEAB O=C(NCCCc1ccccc1)c1cc[nH]c1 68228496 CCRNJLDTFQMXNS-UHFFFAOYSA-N 228.295 2.377 0 40 BEAB Cc1cc(N)c(N)c(Br)c1C 70461254 FKOBSMCLWHINRX-UHFFFAOYSA-N 215.094 2.230 0 40 BEAB CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 72381438 QEVPEZHUROEIBA-JTQLQIEISA-N 224.329 2.177 0 40 BEAB NC(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1 73640455 UHNZFBSOPZJCFZ-UHFFFAOYSA-N 236.658 2.281 0 40 BEAB NCC1(c2c(F)cc(F)cc2F)CC1 75934189 JMQWGXHFAAFFSY-UHFFFAOYSA-N 201.191 2.094 0 40 BEAB Cc1cc(O)c(Br)cc1N 78549645 SUNUYNWRSKSEDB-UHFFFAOYSA-N 202.051 2.045 0 40 BEAB CC(C)c1nn2ccccc2c1C(=O)O 79058234 FQHPPVGWWBCWLR-UHFFFAOYSA-N 204.229 2.156 0 40 BEAB Cc1ccc2[nH]nc(Br)c2n1 82046502 NOMFNCPFEGECCQ-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CCOC(=O)c1c(F)cc(C)cc1F 82046571 NYMDJGOYSVJFHR-UHFFFAOYSA-N 200.184 2.450 0 40 BEAB Cc1nc2ccccc2c(C)c1CCO 85389003 PDKMQIMUGSBBJP-UHFFFAOYSA-N 201.269 2.386 0 40 BEAB Cc1cccc(OC2(C(=O)O)CC2)c1C 85392751 AOYBQOLMDYGURI-UHFFFAOYSA-N 206.241 2.299 0 40 BEAB C[C@H]1C[C@@H](O)c2c(ccc3ncccc23)O1 85399863 XFENIEXPONKEDM-GZMMTYOYSA-N 215.252 2.439 0 40 BEAB CC(C)(C)OC(=O)NCc1cc(F)ccc1N 95642501 HCVBWOUDRGLBOB-UHFFFAOYSA-N 240.278 2.433 0 40 BEAB Cc1cccc(Cl)c1OCCCO 95988714 KJWBURJIOWEUCZ-UHFFFAOYSA-N 200.665 2.410 0 40 BEAB NC(=O)C12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12 100970748 APBYGDFDFJZOHO-KWOWKCNFSA-N 247.297 2.282 0 40 BEAB CC(=O)Nc1ccc2[nH]cc(C(=O)O)c2c1C 211564972 TUXZNMZLNWTFKB-UHFFFAOYSA-N 232.239 2.133 0 40 BEAB CN(C)c1nc(C(F)(F)F)c(C=O)s1 218731298 KEAIVIYOJZLWII-UHFFFAOYSA-N 224.207 2.040 0 40 BEAB N[C@H]1CCC[C@@H]1Nc1c(F)cccc1F 218882875 NAFSIPKLEYJQMA-UWVGGRQHSA-N 212.243 2.257 0 40 BEAB Cc1noc(CSCCOCC(C)C)n1 225702737 RNQIEIXLGWOJTH-UHFFFAOYSA-N 230.333 2.284 0 40 BEAB CCNC(=O)c1ccc2nc(Cl)oc2c1 225973454 DWYSHPSZINRRDC-UHFFFAOYSA-N 224.647 2.231 0 40 BEAB Cc1ncccc1[C@](C)(O)C(F)(F)F 256054427 WEZUNGUGTKHZET-QMMMGPOBSA-N 205.179 2.160 0 40 BEAB COC(=O)c1cc(O)c(C)c(Br)c1 260440390 QKJFRWXIALJTEI-UHFFFAOYSA-N 245.072 2.250 0 40 BEAB COCC(C)(C)CCCNC1CSC1 308602809 OSPABLKMRFGNNK-UHFFFAOYSA-N 217.378 2.144 0 40 BEAB Cc1cc(C(F)F)nn1[C@@H](C)CC(=O)O 408716760 QPTYDIQSCAGGHQ-LURJTMIESA-N 218.203 2.165 0 40 BEAB CN(CC1CC2(CCC2)C1)C1CC(O)C1 878430266 ASCIADOQNIGTEA-UHFFFAOYSA-N 209.333 2.022 0 40 BEAB CCCn1c2c(c(=N)c3c1CCC3)CCC2 198623 AWNLVKPHFGNVQD-UHFFFAOYSA-N 216.328 2.355 0 40 BEAB biogenic CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 200901 GKNSZBXBYJYRPI-QMMMGPOBSA-N 217.272 2.150 0 40 BEAB CN(C)CCCN1C[C@H]2CCCC[C@@H]2C1 1676228 KPIFYCALUBLAEA-CHWSQXEVSA-N 210.365 2.060 0 40 BEAB Clc1cccc(Cl)c1Cc1nnn[nH]1 2569634 NDMAQUNWOYUOGS-UHFFFAOYSA-N 229.070 2.097 0 40 BEAB CCSc1nnc(NC(=O)[C@H]2C[C@H]2C)s1 2648644 BLVUYYRLEVJVSH-RITPCOANSA-N 243.357 2.245 0 40 BEAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 3559876 QPNVAPBAQNRRPC-GXSJLCMTSA-N 233.315 2.094 0 40 BEAB CCOC(=O)C(=O)c1cc(F)cc(Cl)c1 4255734 AXXUGRZDHNZUMR-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB Clc1ccc(CNc2nnn[nH]2)c(Cl)c1 4771364 IESVVDANGSZTLX-UHFFFAOYSA-N 244.085 2.119 0 40 BEAB CN(C)C(=S)Nc1ccc(N(C)C)cc1 4868758 LPULUKOUZODCOQ-UHFFFAOYSA-N 223.345 2.011 0 40 BEAB C[n+]1c(O)n(-c2ccccc2)c2ccccc21 5003036 VMKCXIJBSNPXCB-UHFFFAOYSA-O 225.271 2.161 0 40 BEAB Cn1ccc(NC(=O)Cc2ccccc2Cl)n1 12870269 LDAUNNLIMQMUAK-UHFFFAOYSA-N 249.701 2.255 0 40 BEAB CC[C@@H](C)NC(=O)c1cc2ccccc2[nH]c1=O 12873179 SXUALQAPNYWDRX-SECBINFHSA-N 244.294 2.056 0 40 BEAB C[C@H](NC(=O)NC1CC1)c1ccccc1F 12925566 SVTWKBDBWKRXBM-QMMMGPOBSA-N 222.263 2.348 0 40 BEAB Cc1nc(CNC(=O)c2cccs2)cs1 15832180 JCCZJJQKGRFPHF-UHFFFAOYSA-N 238.337 2.443 0 40 BEAB Cc1cc(Nc2ccccc2C)n2ncnc2n1 18045509 IBFDNTZQRMCCCF-UHFFFAOYSA-N 239.282 2.485 0 40 BEAB O=C(O)c1cccc(COC[C@@H]2CCCO2)c1 19507331 FRNXPGZQZKFEQO-LBPRGKRZSA-N 236.267 2.080 0 40 BEAB in-vitro COc1ncccc1-c1ccc(N)nc1C 21987500 UXFGWCHCBQWLIR-UHFFFAOYSA-N 215.256 2.043 0 40 BEAB Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)O 26420160 FGJAILOFVCOWJI-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB Cc1ccccc1C(=O)N1CCSC1=S 26476382 ZCMNWABWTJNGQB-UHFFFAOYSA-N 237.349 2.469 0 40 BEAB Cc1nnc2n1N=C(c1ccccc1)[C@H](C)S2 27300542 ILBIEFJNRRKDEL-QMMMGPOBSA-N 244.323 2.333 0 40 BEAB CC[C@H]1CN(C(=O)Nc2ccccc2)CCO1 32779458 KPOZWHAIJAZNPA-LBPRGKRZSA-N 234.299 2.329 0 40 BEAB CCn1c(-c2cn[nH]c2N)nc2ccccc21 35279299 IKVGLXRSIBUYOD-UHFFFAOYSA-N 227.271 2.029 0 40 BEAB Cc1ccc(-n2cc(C(=O)O)c(C)n2)cc1 36804853 RNBBPYQYUNVSJL-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB CC[C@H](N)C(=O)N[C@@H](CC)c1ccc(C)cc1 37028320 PNFCUPMXIZEYMX-STQMWFEESA-N 234.343 2.300 0 40 BEAB in-vitro CC(C)(C)CC(C)(C)NC(=O)CNC1CC1 37395106 OYKMFCUYOKDPAZ-UHFFFAOYSA-N 226.364 2.069 0 40 BEAB COC(=O)c1cc(N)ccc1NCC(C)C 41046123 VEMZGIYKHRGIIO-UHFFFAOYSA-N 222.288 2.123 0 40 BEAB Cc1ccccc1C[C@H](C(=O)O)N1CCCCC1 41299171 PYVDECFFCCKSMF-CQSZACIVSA-N 247.338 2.477 0 40 BEAB C[C@H](NC(=O)NCc1ccccc1)[C@H]1CCCO1 43728368 SYQCDGBJUOGBID-WCQYABFASA-N 248.326 2.053 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1 47843744 RYAKMQPZBGISAT-QWRGUYRKSA-N 240.347 2.138 0 40 BEAB in-vitro Nc1ccccc1-c1nc(-c2ccoc2)n[nH]1 58134044 UJFKTCMTNJTXGE-UHFFFAOYSA-N 226.239 2.314 0 40 BEAB Cc1ccccc1CN1C[C@@H](C)NC[C@@H]1C 62608903 YLVKTJDVIKSJBH-OLZOCXBDSA-N 218.344 2.177 0 40 BEAB CCC[C@](C)(NC(=O)[C@H](C)C(C)C)C(=O)O 69684962 XWRXDKMAQUKABW-SKDRFNHKSA-N 229.320 2.038 0 40 BEAB NCc1cccc(OCCC(F)(F)F)c1 70911536 YNMKWGFYXRQTHM-UHFFFAOYSA-N 219.206 2.477 0 40 BEAB CCOC(=O)c1cn[nH]c1CC(C)(C)C 71980856 BZMIUZAICHDRJU-UHFFFAOYSA-N 210.277 2.175 0 40 BEAB O=C1C2CCN(CC2)[C@H]1Cc1ccccc1F 72117202 DSYKXBLWNRQMSL-ZDUSSCGKSA-N 233.286 2.032 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cccnc1NC1CC1 72213711 VYCBIVMAJBTTCR-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB FC(F)(F)C1CCN(Cc2ncc[nH]2)CC1 72802169 NWTGSNJHYKRDAE-UHFFFAOYSA-N 233.237 2.184 0 40 BEAB CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)SC)C1(C)C 73269035 SCJMDUOOKIPMPJ-VDDIYKPWSA-N 245.388 2.058 0 40 BEAB c1csc(CN[C@H]2CCCOCC2)c1 83424666 OBGVNKINVJHBPY-JTQLQIEISA-N 211.330 2.407 0 40 BEAB CCOC(=O)n1cccc1Br 90471312 DOGPECOQWFTFAA-UHFFFAOYSA-N 218.050 2.255 0 40 BEAB Cc1cccc(OC(=O)c2ccnn2C)c1F 97236019 PANFISNPCILHQM-UHFFFAOYSA-N 234.230 2.087 0 40 BEAB COC(=O)c1[nH]c2cccc(Cl)c2c1N 110788832 LEZOGTDDCPIUTE-UHFFFAOYSA-N 224.647 2.190 0 40 BEAB Cc1cc(Cn2ccc3ccsc3c2=O)no1 193780353 JVDJYPZULRFXKF-UHFFFAOYSA-N 246.291 2.408 0 40 BEAB NN[C@@H]1CCCC[C@@H]1Cc1ccccc1 199539292 UFIXVJLXVFSSHV-CHWSQXEVSA-N 204.317 2.251 0 40 BEAB Cc1ncsc1-c1cncc([C@@H]2CCCN2)n1 205686837 DKOFWCVKSDXXNW-VIFPVBQESA-N 246.339 2.333 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2CO)O1 242390173 ABUHJJZZXMNMQT-ZOZBQHSOSA-N 238.249 2.361 0 40 BEAB CC(C)CCNCc1ccnn1C(F)F 256052611 OAGGJSPRYUVYLY-UHFFFAOYSA-N 217.263 2.414 0 40 BEAB Cn1ccc2ccc(-c3cc(N)on3)cc21 257961988 BQHJPMSCFKGJQI-UHFFFAOYSA-N 213.240 2.416 0 40 BEAB O[C@@H]1CC[C@H]1Nc1ncnc2ccc(Cl)cc12 585298176 REEXJWBZDZDENV-GHMZBOCLSA-N 249.701 2.218 0 40 BEAB Fc1ccc(Cl)c(F)c1CN1CCOCC1 642814244 AESMEDYOZOMVMK-UHFFFAOYSA-N 247.672 2.450 0 40 BEAB O=C(OCC1CC1)C(Cl)(Cl)Cl 1638460 KNYLYXOYFFGSDA-UHFFFAOYSA-N 217.479 2.310 0 40 BEAB O[C@H]1C2(CCCCC2)CN[C@@]12C=CCCC2 1722972 IOXFYROGVKPFKG-GXTWGEPZSA-N 221.344 2.380 0 40 BEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 2537053 GVCUYVSDJYMDMA-CAHLUQPWSA-N 201.220 2.202 0 40 BEAB CC1=C(C)[C@@H](O)N(CCC2=CCCCC2)C1=O 9667611 RHBNJMMVAUEMKR-CYBMUJFWSA-N 235.327 2.374 0 40 BEAB CC(C)c1nn2c(-c3ccncc3)nnc2s1 12389687 SWPQBJCYOGPJNF-UHFFFAOYSA-N 245.311 2.371 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1F 12979417 NDKGSXPHKMSDJX-MWLCHTKSSA-N 221.275 2.440 0 40 BEAB CCN(CC)CCOc1ccc(C)cc1N 14629548 HSLZUXJUKSFHGY-UHFFFAOYSA-N 222.332 2.298 0 40 BEAB Fc1ccc(F)c(O[C@H]2CCCNC2)c1 14631841 AQHMDFZAJALSII-VIFPVBQESA-N 213.227 2.096 0 40 BEAB in-vitro Cc1nccn1-c1ccc(Cl)cc1N 15019551 SGCQDTYTRZFEPP-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB CC(C)CNC(=O)CSc1ccccc1N 19477086 VSJJAISLSSQZKK-UHFFFAOYSA-N 238.356 2.133 0 40 BEAB COc1ccc(-c2nc(C=O)co2)cc1 19723032 ZYLDSHNTRKBMCN-UHFFFAOYSA-N 203.197 2.163 0 40 BEAB CC[C@H](C)OC(=O)Cc1cccc(N)c1 20154988 HTIOJZAHZBGKFS-VIFPVBQESA-N 207.273 2.153 0 40 BEAB Nc1cccc(CC(=O)N2CCCCCC2)c1 20155056 GBEZOIVGTMBZOH-UHFFFAOYSA-N 232.327 2.214 0 40 BEAB OCc1cc(Cc2ccccc2)ccc1O 30714703 GVCRQFBIGMKZCB-UHFFFAOYSA-N 214.264 2.475 0 40 BEAB C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O 34090135 CHYRXHBVBVPCLF-ZETCQYMHSA-N 210.204 2.119 0 40 BEAB in-vitro CCc1ccc(C(=O)Nc2ccncc2)o1 36394815 ZWIBRVQMUGNRHY-UHFFFAOYSA-N 216.240 2.489 0 40 BEAB COC(=O)c1c[nH]c2nc(C(F)(F)F)ccc12 37593617 ABCSUZBXFZPUKN-UHFFFAOYSA-N 244.172 2.368 0 40 BEAB Cc1ccc2c(cnn2CCC(=O)NC2CC2)c1 40758597 LNJUEZBDBZQERW-UHFFFAOYSA-N 243.310 2.013 0 40 BEAB C[C@@H]1CCCN(c2cncc(Cl)n2)C1 42783553 HUHYVRHJMZWXIQ-MRVPVSSYSA-N 211.696 2.366 0 40 BEAB CCc1nnc(NC(=O)N(CC)C2CC2)s1 43343543 RNASMJVIMMAKHS-UHFFFAOYSA-N 240.332 2.117 0 40 BEAB Cc1nc2ccc(C(C)C)cc2c(=O)[nH]1 57771690 QOCDKQGUWKAIAD-UHFFFAOYSA-N 202.257 2.355 0 40 BEAB CCN(c1ccc(C(=O)NOC)cc1)C(C)C 58298574 ZHRFHYOIKSMZKZ-UHFFFAOYSA-N 236.315 2.213 0 40 BEAB Cc1nc(Cl)nn1CCc1ccccc1 61714988 VRIGQIOJWFIZAO-UHFFFAOYSA-N 221.691 2.483 0 40 BEAB c1ccc(N2CCN(c3nccs3)CC2)cc1 71711468 NEGAYWKZBRZERZ-UHFFFAOYSA-N 245.351 2.470 0 40 BEAB O=CN1CCCC[C@@H]1c1cccnc1NC1CC1 72213751 GNQIKGCWHRMVSD-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB CNc1cc(C2CCN(C(C)C)CC2)nc(C)n1 72351952 SLENIHDRTKUJFY-UHFFFAOYSA-N 248.374 2.415 0 40 BEAB NCCCc1cccc(F)c1Br 84514225 QQZWVMCLMUYUNP-UHFFFAOYSA-N 232.096 2.480 0 40 BEAB Fc1ccc2ncnc(Nc3cn[nH]c3)c2c1 92606103 JNLMHIMRBIXTMK-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB CC(C)=CCC[C@@H](C)NCC1(O)CCOCC1 95421805 SEWCKRMXLCNYJV-CYBMUJFWSA-N 241.375 2.252 0 40 BEAB O=C(O)Cc1cc(Cl)nc(C(F)(F)F)c1 95762005 GNGBTCBIYJLJDV-UHFFFAOYSA-N 239.580 2.381 0 40 BEAB OCc1ccncc1NCc1ccccc1 95972339 OHDXJUAEHUIMQC-UHFFFAOYSA-N 214.268 2.186 0 40 BEAB CN(CC1CCCC1)c1nc(N)cs1 103694477 BHXXIDMKILMBSN-UHFFFAOYSA-N 211.334 2.352 0 40 BEAB O=c1[nH]c2ccc(CCCF)cc2s1 115862251 VLQRYCRHWIIVER-UHFFFAOYSA-N 211.261 2.492 0 40 BEAB CC(C)(CN[C@H]1CCCc2ccccc21)C(N)=O 183643946 KZNMTAQMFOEZDF-ZDUSSCGKSA-N 246.354 2.165 0 40 BEAB CCOc1cccc2[nH]cc(CC(=O)OC)c12 188631917 MCFIANHZKQPDIQ-UHFFFAOYSA-N 233.267 2.282 0 40 BEAB CCOC(=O)C[Si](C)(C)c1ccccc1 195762526 KQWBZEHWILFFEO-UHFFFAOYSA-N 222.360 2.165 0 40 BEAB NN[C@@H](c1ccccc1)C(F)(F)C(F)(F)F 199538301 HJDISEBPMPWKGG-ZETCQYMHSA-N 240.175 2.389 0 40 BEAB Cc1cc(N(C)N)nc2c(C)cccc12 199550426 OSRPHZCYJCTPDT-UHFFFAOYSA-N 201.273 2.162 0 40 BEAB C[C@H]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1O 218956250 BBHRTIFJOOBMSJ-ZANVPECISA-N 241.281 2.168 0 40 BEAB CCO[C@H](Cc1cccc(C)c1)C(=O)O 220066533 AANNRELKRZPVDB-LLVKDONJSA-N 208.257 2.027 0 40 BEAB CCCCNCc1cnn(C)c1C(F)(F)F 256052244 MNRGCSGCJBZDAM-UHFFFAOYSA-N 235.253 2.329 0 40 BEAB Oc1ccccc1NCCOCC(F)(F)F 1083811852 YXCIJAZXXFUJRY-UHFFFAOYSA-N 235.205 2.383 0 40 BEAB CC1(C)OC[C@@H](COC(Cl)=CCl)O1 2362801502 JUYLXTUIUDHQPL-ZCFIWIBFSA-N 227.087 2.431 0 40 BEAB Cc1nnsc1C(=O)Nc1ccc(F)cc1 385513 WQAIZPRUUBPCFA-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB O[C@@H]1/C(=C\c2ccc(F)cc2)N2CCC1CC2 480591 HSEHKBPZCDLUHZ-SSUFTNFISA-N 233.286 2.253 0 40 BEAB Cc1cccc(C(=O)OC[C@H]2CCCO2)c1 1570899 BOVDTHGPHGMHAT-GFCCVEGCSA-N 220.268 2.331 0 40 BEAB C[C@](O)(C1CC1)[C@@H](C(=O)O)c1ccccc1 1593051 SLDAEGGTLLAFPL-YPMHNXCESA-N 220.268 2.016 0 40 BEAB CSc1nc(Cl)c2c(n1)CCC2 1646288 GNDCBYXPXVMIEY-UHFFFAOYSA-N 200.694 2.341 0 40 BEAB S=C(S[C@H]1C=CCC1)N1CCOCC1 1673033 VGOCDGRUHMUTHC-VIFPVBQESA-N 229.370 2.055 0 40 BEAB C[C@H]1CO[C@@H](c2ccc(N(C)C)cc2)O1 1687902 JJXDAGJXGOZEGJ-JOYOIKCWSA-N 207.273 2.187 0 40 BEAB Nc1ccc2c(c1)C(=O)c1cc(N)ccc1-2 1699676 GWTJRFCUTIHVPX-UHFFFAOYSA-N 210.236 2.062 0 40 BEAB NC[C@H](O)COc1ccc(-c2ccccc2)cc1 8029004 GMDBVPHSECPGQQ-AWEZNQCLSA-N 243.306 2.052 0 40 BEAB COc1cccc2c(CC(=O)O)coc12 8495733 YECIFNKYUBNXQR-UHFFFAOYSA-N 206.197 2.069 0 40 BEAB COc1ccc(C(=S)N2CCCC2)cc1O 9187899 RXGWRASAQXVHER-UHFFFAOYSA-N 237.324 2.172 0 40 BEAB CC(C)[C@H](N[C@@H](C)CC(N)=O)c1cccs1 13985874 UXYWRECTIXXIAQ-CABZTGNLSA-N 240.372 2.299 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(N)cc1F 20157252 YRFARRNULJALDL-SSDOTTSWSA-N 210.252 2.393 0 40 BEAB CCc1nnc(COc2ccc(C(C)=O)cc2)o1 20253780 JWFMYXOGDPAVLW-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB CCOc1ccc(Br)cc1CN 20483473 OCHULHOAUXUKCI-UHFFFAOYSA-N 230.105 2.307 0 40 BEAB O=C(O)CCCCC/N=C/c1ccccc1O 22002772 VMUDDDMFVMGTBO-GXDHUFHOSA-N 235.283 2.456 0 40 BEAB C[C@H](N)c1ccc(NC(=O)c2ccncc2)cc1 22213335 YLHOUXJZKHQYTC-JTQLQIEISA-N 241.294 2.354 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2CC=CCC2)n1C 23574241 GQUKOZQOAWLTGR-LBPRGKRZSA-N 232.327 2.306 0 40 BEAB Cn1ncc2c1CCC[C@@H]2NC(=O)CC(C)(C)C 24993472 VARLLVFHNSWGAH-NSHDSACASA-N 249.358 2.350 0 40 BEAB O=C(Nc1cccnc1-n1cccn1)C1CCC1 25012972 VGUSMRXILOXJEO-UHFFFAOYSA-N 242.282 2.006 0 40 BEAB CN(Cc1ccc(Cl)cc1)[C@H]1CCOC1=O 32904951 HFUSRAFRKNEFEU-NSHDSACASA-N 239.702 2.087 0 40 BEAB CNCc1cccc(OCC(F)(F)F)c1 34816124 UZNPZOVRMPAJKC-UHFFFAOYSA-N 219.206 2.347 0 40 BEAB CCONC(=O)c1cc(C)nc2cc(F)ccc12 36392909 LSMQRYMACCBXPD-UHFFFAOYSA-N 248.257 2.364 0 40 BEAB Cc1ccc(C)c(-n2ncc(C(=O)O)c2C)c1 36720443 YQTLGLWPKDKQCL-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB in-vitro CN[C@H](C(=O)O)c1ccccc1C(F)(F)F 37181107 MXHDCYQZOMUTHP-QMMMGPOBSA-N 233.189 2.051 0 40 BEAB in-vitro COc1cccc(C2(O)CCN(C(C)C)CC2)c1 37717041 NLLRIQMUJAJNKA-UHFFFAOYSA-N 249.354 2.387 0 40 BEAB Cc1ccc(C)c(NC2CCNCC2)c1 38040609 MCIZKLSXKJCATA-UHFFFAOYSA-N 204.317 2.467 0 40 BEAB O=Cc1cnc2c(-c3ccccc3)cnn2c1 40451222 XJIDIIQALIVUPK-UHFFFAOYSA-N 223.235 2.209 0 40 BEAB Cc1cccc(C[C@H](C(=O)O)N2CCCC2)c1 41260668 JHYGQHNWDNGGSU-CYBMUJFWSA-N 233.311 2.087 0 40 BEAB COc1ccc(OCCN[C@H](C)C2CC2)cc1 49900175 FNPGMYLSTLGYAH-LLVKDONJSA-N 235.327 2.462 0 40 BEAB C=CC(=O)N1CC[C@@H](c2ccccc2)C1 50599516 HFKHWUCEAWYFEM-GFCCVEGCSA-N 201.269 2.189 0 40 BEAB CNC[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 54588463 GBFQCYNTWBMCGP-WCQYABFASA-N 204.317 2.076 0 40 BEAB Cc1ccc(C[C@@H](C(=O)O)N2CCCC2)c(C)c1 57536416 FIDBEYBCJLFPSF-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB CC[C@H]1CCCCN1C(=O)/C=C/c1cnn(C)c1 58355252 UEBGSNFRRBULCL-GWJCSSMESA-N 247.342 2.224 0 40 BEAB Cc1csc([C@H](N)c2ccccc2)n1 58376828 TUHLDLXNTQTBCO-SNVBAGLBSA-N 204.298 2.500 0 40 BEAB OCc1ccc(OC(F)F)c(OC(F)F)c1 66309465 CXMMIPRPYGDANY-UHFFFAOYSA-N 240.152 2.382 0 40 BEAB O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc[nH]1 67333812 LANFVERRUQCIJX-AAEUAGOBSA-N 244.269 2.440 0 40 BEAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C=O 72218712 POAFCQZQHFLNSM-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB COC[C@H](OC)c1ccc([C@@H](C)O)cc1 72220053 HZBXRAFNPGZPAW-SKDRFNHKSA-N 210.273 2.074 0 40 BEAB Cn1nc(-c2ccccc2)c(Cl)c1C(=O)O 72324038 RWIRZKCBAARSEW-UHFFFAOYSA-N 236.658 2.439 0 40 BEAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cccs1 72324616 AUFZOEMMLVUAKW-VXGBXAGGSA-N 236.384 2.417 0 40 BEAB COc1cc(OC)cc(C2(N)CCC2)c1 75068788 YBRYDEFUHPHFDW-UHFFFAOYSA-N 207.273 2.042 0 40 BEAB O=C(O)Cn1c(C2CC2)nc2ccc(F)cc21 75974411 BWPUICMQPAKWEW-UHFFFAOYSA-N 234.230 2.137 0 40 BEAB COC(=O)Nc1ccccc1OCc1ccon1 80286261 QMPNXLPRIGFTDP-UHFFFAOYSA-N 248.238 2.432 0 40 BEAB CCc1ccc(N(C)[C@@H](C)C(=O)O)cc1 82259490 CBNCYEYURFVVJQ-VIFPVBQESA-N 207.273 2.158 0 40 BEAB CC(=O)c1ccc(C(=O)O)c(Br)c1 82307695 KLGAQXUIWQEZEV-UHFFFAOYSA-N 243.056 2.350 0 40 BEAB CCOC(=O)[C@H](C)C(=O)c1ccc(OC)cc1 85396783 YAOWFMRQMSBZCW-SECBINFHSA-N 236.267 2.077 0 40 BEAB CCOC(=O)c1nc(N(C)C)sc1Cl 85396879 WIRVKDBLWOCEIW-UHFFFAOYSA-N 234.708 2.039 0 40 BEAB O[C@@H]1CCC[C@H]1c1ccc(Br)cn1 85400037 AFHTXLQAHTXYEQ-WCBMZHEXSA-N 242.116 2.473 0 40 BEAB Cc1ccc(C)c(C(=O)CC2OCCO2)c1 85652256 XLFBPTQPXXVLOO-UHFFFAOYSA-N 220.268 2.249 0 40 BEAB CCOC(=O)CCCCN1CCS[C@@H](C)C1 95399807 WTUDBXHHRFRCBY-NSHDSACASA-N 245.388 2.157 0 40 BEAB OC[C@H]1C=C[C@@H](Nc2ncnc3sccc23)C1 95406850 XWDPNPHBDFHNAR-DTWKUNHWSA-N 247.323 2.040 0 40 BEAB C[C@@H](CO)N(C)C(=O)Nc1ccccc1Cl 95443100 HSQQNCGCBWSSSO-QMMMGPOBSA-N 242.706 2.185 0 40 BEAB CCOC(=O)c1cc(OC)nc(C(F)F)c1 95644333 CQQPDLLKDTTZTO-UHFFFAOYSA-N 231.198 2.205 0 40 BEAB NCCc1cnc(Cl)cc1C(F)(F)F 95763660 SYUCNENPNIIODU-UHFFFAOYSA-N 224.613 2.255 0 40 BEAB CCc1ocnc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 96456025 KARSBOKPUNTRIE-QWRGUYRKSA-N 248.326 2.499 0 40 BEAB CCCCN1C(=O)NC(=O)[C@@H]1c1ccsc1 104085649 ZNNDYYNUWFWTBO-VIFPVBQESA-N 238.312 2.141 0 40 BEAB C[C@@H]1CCCN(c2ncccc2C=O)C1 217732637 WARXYNGYHXIZSM-SNVBAGLBSA-N 204.273 2.130 0 40 BEAB O=C(O)[C@@H]1C[C@H]1Cc1ccc2c(c1)CCC2 217823409 QGVMFRKGYXFFEP-CHWSQXEVSA-N 216.280 2.439 0 40 BEAB COC(=O)[C@H]1CCC2(C1)SCCS2 217904438 VRAJNPCLTVXCQN-ZETCQYMHSA-N 218.343 2.136 0 40 BEAB CN1C[C@H](c2cccc3ccccc23)[C@@H](CO)C1 225608911 ZNNSSQQNZDAPMD-CJNGLKHVSA-N 241.334 2.477 0 40 BEAB COC(=O)c1cc(-n2cccc2)ccc1N(C)C 226276978 OSGCIFIAQGTOFK-UHFFFAOYSA-N 244.294 2.330 0 40 BEAB C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](N)[C@@H]2[C@H]1C 242463387 CZVKMVVAGFXBBQ-NHETZVSYSA-N 237.265 2.326 0 40 BEAB NC[C@@H](C[C@H](O)c1ccccc1)C(F)(F)F 256053203 QMLDBSDPWZVVKE-ZJUUUORDSA-N 233.233 2.247 0 40 BEAB Clc1cccnc1OC[C@@H]1CCCO1 585655266 ZLRMBJKPYKNWOY-QMMMGPOBSA-N 213.664 2.293 0 40 BEAB CC1CC(C(=O)Nc2nccnc2C2CC2)C1 906415909 DIQDVDYNJKFUDY-UHFFFAOYSA-N 231.299 2.339 0 40 BEAB COC(=O)[C@H]1C[C@@H]1c1cc(F)cc(F)c1 1857793777 OFYRFZIWDXLNIV-ZJUUUORDSA-N 212.195 2.241 0 40 BEAB Cc1ccc(C(=O)Nc2nnc(C)s2)cc1 40346 IKAJSLFVCPMOCD-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Nc1ccc2nc(-c3ccccc3)oc(=O)c2c1 53776 VQFJFHNLLWCXHS-UHFFFAOYSA-N 238.246 2.437 0 40 BEAB biogenic COc1cccc2c1C(=O)[C@]1(O)CCCC[C@H]21 1634644 FXJPJLDVHPAZBR-YGRLFVJLSA-N 232.279 2.280 0 40 BEAB CC(=O)OCCOc1ccccc1Cl 1732394 YNEWUROKCOKWAE-UHFFFAOYSA-N 214.648 2.282 0 40 BEAB Cc1cccc2c1N(CC(C)C)C(=O)C2=O 2489365 DYHINDZCOMPNJK-UHFFFAOYSA-N 217.268 2.180 0 40 BEAB C[C@H]1CCCN(c2ccccc2CN)C1 2538841 GDYYTQZYOAPEDJ-NSHDSACASA-N 204.317 2.382 0 40 BEAB CCNC(=S)Nc1c(F)cccc1F 3251833 MRPQMLBDFNHTJZ-UHFFFAOYSA-N 216.256 2.271 0 40 BEAB Cn1c(Cl)cnc1[C@H](O)c1ccccc1 4399975 SLAACMWJSPJIGH-SNVBAGLBSA-N 222.675 2.155 0 40 BEAB Cc1c(Cc2cnc[nH]2)cccc1C(=O)O 5116088 UYLYCKVCJPJDEL-UHFFFAOYSA-N 216.240 2.007 0 40 BEAB in-vitro Cc1c(O)ccc2c(=O)c(-c3ccon3)coc12 5955552 LERQZPRYMUVNOL-UHFFFAOYSA-N 243.218 2.462 0 40 BEAB biogenic COc1ccc(N)cc1NC(=O)C(C)(C)C 8703548 LDPFDYRNEMQXON-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB COc1ccc(CNC(=O)c2ccsc2)cn1 10991279 YRTLFIXFXQZKAX-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB Brc1ccc(O[C@@H]2CCNC2)cc1 14632214 XOUVGXLUIDZSLH-SNVBAGLBSA-N 242.116 2.190 0 40 BEAB Cc1nc(-c2nc3ccccc3nc2C)no1 16265627 SXXKWTNJTVLOBP-UHFFFAOYSA-N 226.239 2.297 0 40 BEAB CC[C@H](C)NC[C@H](O)COc1ccccc1C 16758639 ILLZYUQZSHRPQG-STQMWFEESA-N 237.343 2.123 0 40 BEAB CCC[C@H](C(=O)Nc1ncn[nH]1)c1ccccc1 23143430 FRIAFDDZWMXNLU-NSHDSACASA-N 244.298 2.327 0 40 BEAB C[C@H](c1cccc(-c2cnc(N)nc2)c1)N(C)C 32581765 ZFPARNSQMHQSEQ-SNVBAGLBSA-N 242.326 2.348 0 40 BEAB CC(C)(C)NC(=O)CCn1ncc2ccccc21 40757855 FRRJDIIVVXAATD-UHFFFAOYSA-N 245.326 2.341 0 40 BEAB CC(C)CO[C@H](C)C(=O)Nc1ccccn1 42395944 CPLHNOOCTAUOEZ-SNVBAGLBSA-N 222.288 2.081 0 40 BEAB CCOCCCNC(=O)CC1CCCC1 44867132 QZFHFBIWOSHACK-UHFFFAOYSA-N 213.321 2.110 0 40 BEAB CSc1ccc(CN(CCO)C2CC2)cc1 48065352 CUTSIZPMPFCGJC-UHFFFAOYSA-N 237.368 2.365 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2cccnc2)o1 48333410 LLQZHLAGUJOFJQ-SNVBAGLBSA-N 230.267 2.474 0 40 BEAB O=C(CCNc1ccccn1)NC1CCCCC1 48608476 MEIBEIIHINWRPS-UHFFFAOYSA-N 247.342 2.333 0 40 BEAB CC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 48803295 FAKUXPQIHHCBCO-PHIMTYICSA-N 248.326 2.259 0 40 BEAB Cc1ccc(C)n1NC(=O)c1cccc(O)c1 59549623 VUFZTMZQRARRRK-UHFFFAOYSA-N 230.267 2.194 0 40 BEAB CSc1ncc(CNCc2ccccc2)cn1 62717194 KDXOUPYKBDOIRY-UHFFFAOYSA-N 245.351 2.488 0 40 BEAB CO[C@]1(C)C[C@H](N(C)c2ncccn2)C1(C)C 78968206 UDVJYLJFEYMEHN-GXFFZTMASA-N 235.331 2.116 0 40 BEAB C[C@]1(CNc2cnc3ccccc3n2)CCOC1 79089943 VNKNLUASCIMKIV-CQSZACIVSA-N 243.310 2.468 0 40 BEAB Nc1nnc([C@H]2CCOc3ccccc32)s1 82557083 MDSGPZNCMYFUSM-QMMMGPOBSA-N 233.296 2.035 0 40 BEAB Cc1ccc(-c2nnc(C(=O)O)s2)cc1 83304389 VKKMWOJPVGDARR-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB O[C@@H]1NC=Nc2c1sc1ccccc21 85432391 JKAQWUSLPSPSOL-JTQLQIEISA-N 204.254 2.155 0 40 BEAB Cc1nc(Cn2c(Cl)cccc2=O)oc1C 95412836 GANVCTWDOCZQKF-UHFFFAOYSA-N 238.674 2.155 0 40 BEAB CC(C)N1CCc2onc(Cn3cccc3)c2C1 96084842 YHBRFSXUHZPQQA-UHFFFAOYSA-N 245.326 2.291 0 40 BEAB CCOCC(=O)N[C@@H]1CCC[C@H](SCC)C1 96451446 PJXUJQQRCXELGP-MNOVXSKESA-N 245.388 2.203 0 40 BEAB Cc1nccc(N[C@@H]2CCCCC[C@H]2CO)n1 97014139 YOYHOGQSPJEWKD-NWDGAFQWSA-N 235.331 2.138 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)CO 98173621 OVEVDEOBJBFKSD-FDYHWXHSSA-N 213.365 2.418 0 40 BEAB O=C(O)[C@H]1CC[C@H](Cn2cccc2)CC1 101436086 AOWZYXIAQXELRD-PHIMTYICSA-N 207.273 2.379 0 40 BEAB CC1(C)CN(C(=O)C2[C@H]3CCC[C@H]23)CCS1 102337150 CTFCKNYNLONWAS-UWVGGRQHSA-N 239.384 2.387 0 40 BEAB O=CO[C@H]1C[C@@H]2CC(Br)=C[C@@H]1C2 104291734 BKXXZONWDXIKFB-ZKWXMUAHSA-N 231.089 2.237 0 40 BEAB O=C(C1CCC1)N1Cc2ccccc2C1 105981600 KMXJTILEHRWGNN-UHFFFAOYSA-N 201.269 2.329 0 40 BEAB O=C(COc1ccc2c(c1)CCCC2)NC1CC1 134159374 PRMBFJIVVJEVJZ-UHFFFAOYSA-N 245.322 2.223 0 40 BEAB COC(=O)C(=O)c1csc2ccccc12 165420099 VLPJNVBYSDVPMM-UHFFFAOYSA-N 220.249 2.257 0 40 BEAB O=C(NC[C@@H]1CC[C@H](O)C1)OCc1ccccc1 199714225 YIKGCGVKXMVDMH-OLZOCXBDSA-N 249.310 2.074 0 40 BEAB CC(C)COc1nn(C)c2ccc(N)cc12 225770241 HNHZODMGNPEVRQ-UHFFFAOYSA-N 219.288 2.190 0 40 BEAB O=Cc1cc(Br)c(Cl)cn1 238510428 CBTWGUQMNVUMOK-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccco1 248825084 KCWRIZBNBAIIQF-UHTWSYAYSA-N 249.310 2.053 0 40 BEAB Cc1c(NCc2ccccc2C(=O)O)cnn1C 256055128 ZIAHVYUKPCSSFL-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB c1cc([C@H]2CCCCN2CC2CCOCC2)n[nH]1 257290697 QDZIVYFOCCMNDA-CQSZACIVSA-N 249.358 2.363 0 40 BEAB Cc1c(Br)c(C(F)F)nn1C 408715675 CJIMREIMAYIRMX-UHFFFAOYSA-N 225.036 2.429 0 40 BEAB Fc1cccc2c1C1(CCOCC1)CN2 521395999 ALUBMFPUDKISMH-UHFFFAOYSA-N 207.248 2.299 0 40 BEAB Cc1cc(C(=O)N(C)CC2(C)COC2)cs1 628674322 CFPZSEDTLKJXCS-UHFFFAOYSA-N 239.340 2.165 0 40 BEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)C2 710673388 GYXDDUOYKWYEST-YIZRAAEISA-N 215.268 2.496 0 40 BEAB O[C@]1(C(F)(F)F)CC(c2cccs2)=NO1 170931 WJPBGIHUZWQXOV-SSDOTTSWSA-N 237.202 2.123 0 40 BEAB Nc1ncnc2c1sc1nc3c(cc12)CCC3 495686 XPDZNXYJMHIFNI-UHFFFAOYSA-N 242.307 2.310 0 40 BEAB CCN(CC)CCNC(=O)Nc1ccccc1 1634336 YTGXKAVGGWIDKO-UHFFFAOYSA-N 235.331 2.150 0 40 BEAB COc1cc([C@H]2OCC[C@@H](C)O2)ccc1O 1676493 ZVJUAEJHNVXHHC-PELKAZGASA-N 224.256 2.225 0 40 BEAB CC(=O)c1ccc[n+](Cc2ccccc2)c1 1682950 AZRPGYHDNLNRGH-UHFFFAOYSA-N 212.272 2.225 0 40 BEAB CCN(CC)[P@]1(=O)OCC[C@H](C)O1 1691072 XYTACFUAYJCIHI-SDBXPKJASA-N 207.210 2.262 0 40 BEAB COc1ccc(C(=O)[C@@H]2CC[C@@H](C(=O)O)C2)cc1 3589631 WKGLTBFKXDKKGA-GHMZBOCLSA-N 248.278 2.379 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2CC(=O)O 3846445 HBQRMLMRLPXAGZ-RWYTXXIDSA-N 210.273 2.103 0 40 BEAB CC(C)c1nc2[nH]nc(N)c2c2c1CCC2 4041243 FGRWMJNWSTTZRH-UHFFFAOYSA-N 216.288 2.152 0 40 BEAB CN(C)C(=O)c1cc(-c2ccccc2)no1 4060172 PSVPUWXQOFSODE-UHFFFAOYSA-N 216.240 2.043 0 40 BEAB CCOCc1cc(/C=C/C(=O)O)ccc1OC 6350711 IIXUZUCKRQSYPN-FNORWQNLSA-N 236.267 2.330 0 40 BEAB O=C(O)C[C@@H]1CCCc2ccccc2C1=O 6576106 PYYIEBMODWJEII-JTQLQIEISA-N 218.252 2.297 0 40 BEAB N[C@H]1CCCc2cc(Cl)ccc2[C@@H]1O 8699467 VVEBJLSVIQAOJM-QWRGUYRKSA-N 211.692 2.037 0 40 BEAB COc1ccc(-c2nnc3sc(C)nn23)cc1 8715065 QSWOZYLXVPBVHT-UHFFFAOYSA-N 246.295 2.170 0 40 BEAB COc1ccc2[nH]c(C3CCNCC3)nc2c1 11567883 BOXYYPUGLOCCOE-UHFFFAOYSA-N 231.299 2.039 0 40 BEAB in-vitro CCOC(=O)[C@H](C(C)C)n1cc(Cl)cn1 12399041 YGWPBKQTAJOAAO-VIFPVBQESA-N 230.695 2.297 0 40 BEAB O=C(O)c1ccc(NC(=O)c2ccccn2)cc1 13955075 DJJBTHUGYMDMCO-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB CCOCCOc1ccc(N)cc1Cl 14629995 MYSPUUXRAFYZRI-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB N=C(N)Cc1ccc(F)cc1Br 19423937 BBVLBFBQYBXLJS-UHFFFAOYSA-N 231.068 2.067 0 40 BEAB OC1CCC(NCc2c(F)cccc2F)CC1 19918500 HPCJXRNLKCYCEA-UHFFFAOYSA-N 241.281 2.358 0 40 BEAB COC(=O)CCN1CCCc2ccccc21 20361980 VZJLKQTVZRVFEI-UHFFFAOYSA-N 219.284 2.002 0 40 BEAB CN(C)[C@H](CN)c1ccccc1OC(F)(F)F 22166796 MRAGMSWPIKGTOJ-SECBINFHSA-N 248.248 2.147 0 40 BEAB Cc1oc(C)c(C(=O)N2CCCC2)c1C 32808543 RUUWTXPCYANPOV-UHFFFAOYSA-N 207.273 2.441 0 40 BEAB CNc1nnc(SCc2ccccn2)s1 34308441 VIVRGVLXKMQUBM-UHFFFAOYSA-N 238.341 2.267 0 40 BEAB Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 34956103 LHBMJPDGQWFLNK-JTQLQIEISA-N 232.239 2.294 0 40 BEAB O=C(CSc1ccc(O)cc1)NCC1CC1 38079010 GMRASKRSFSNRQY-UHFFFAOYSA-N 237.324 2.011 0 40 BEAB CC(C)(C)CNS(=O)(=O)c1ccc(F)cc1 40494840 YEJQOTPDRXPFDI-UHFFFAOYSA-N 245.319 2.150 0 40 BEAB COc1ccccc1SC[C@H](C)CN 41030978 RXPATPAEEPZLTH-SECBINFHSA-N 211.330 2.382 0 40 BEAB in-vitro CC(C)C[C@@H](C)N(C)C(=O)CCn1cccn1 42726124 UXSKOZMTAABSPS-GFCCVEGCSA-N 237.347 2.166 0 40 BEAB COC[C@H](C)NC(=O)C(C)(C)c1ccccc1 44896901 SGCAVNPOHXANHU-NSHDSACASA-N 235.327 2.115 0 40 BEAB Cc1cc(SCc2noc(C)n2)nc(C)n1 48331862 IDXGWLOHCIWVHR-UHFFFAOYSA-N 236.300 2.077 0 40 BEAB COc1ccc(CC(=O)N[C@H](C)C(C)C)cc1 57159992 BMNCFABSHOFPQJ-LLVKDONJSA-N 235.327 2.398 0 40 BEAB CCNC(=S)Nc1ccc(SCC)nc1 63565923 GKBRGEPPRYCWMG-UHFFFAOYSA-N 241.385 2.500 0 40 BEAB CCCN(C)CC(=O)N[C@@H](C)CCC(C)C 63761669 XRVYQGHAIOUHPI-LBPRGKRZSA-N 228.380 2.269 0 40 BEAB CCO[C@H](C)C(=O)NCCSC(C)(C)C 66736725 HNJPOQYCQHIWPT-SECBINFHSA-N 233.377 2.059 0 40 BEAB CC(C)CS[C@H](C)C(=O)NC1CC1 69050232 HLAYJGUQVPBLBL-MRVPVSSYSA-N 201.335 2.043 0 40 BEAB Cc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1 70020515 KULZDUZAEMEPPT-GXTWGEPZSA-N 246.354 2.081 0 40 BEAB CN(C)C(=O)C[C@H](c1ccccc1)[C@@H]1CCCN1 72208320 GMIWDRXKQPCEEO-KGLIPLIRSA-N 246.354 2.001 0 40 BEAB CCOc1ncccc1[C@@H]1CCCCN1 72211851 PSKVIWVRHQYDEN-NSHDSACASA-N 206.289 2.295 0 40 BEAB COC(=O)c1cnc(NC(C)(C)C)c(C)c1 72222918 QWFLLYBCYADZSG-UHFFFAOYSA-N 222.288 2.387 0 40 BEAB Cc1nc(C)c(-c2ncc(C=O)o2)s1 74176412 INRGFDLLIZDJIG-UHFFFAOYSA-N 208.242 2.227 0 40 BEAB C[C@@H](CCO)Nc1cncc(Br)c1 78294780 LTOMTGKZPRHEHT-ZETCQYMHSA-N 245.120 2.027 0 40 BEAB O=Cc1n[nH]c2c(Br)cccc12 82361015 SXWCQUSSBQJBDV-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro C[C@@H]1Oc2cc(Br)ccc2[C@@H]1N 87015806 MAUVFYGVIZXQHV-SSDLBLMSSA-N 228.089 2.230 0 40 BEAB CCC(=O)N1CCC(N[C@H]2CC=CCC2)CC1 89156371 KIMIZBDTOLDEJN-LBPRGKRZSA-N 236.359 2.086 0 40 BEAB CN(Cc1ccc(F)cc1)[C@@H]1CCCNC1 95067829 LICYOHDZIKBDMV-CYBMUJFWSA-N 222.307 2.010 0 40 BEAB CC(C)NC(=O)NCCc1cc2ccccc2[nH]1 95429631 INZPHRKRPXOLFP-UHFFFAOYSA-N 245.326 2.418 0 40 BEAB COC(=O)c1ccc(F)c2cccnc12 95929782 HXLPBIDQNLEICO-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB O=C(NCCn1cccc1)[C@H]1C[C@@H]1c1ccco1 96449881 XQOQKFLYYGFBKS-RYUDHWBXSA-N 244.294 2.001 0 40 BEAB OC1=CC(=S)N[C@@H](c2ccccc2)C1 104238669 CLWYSBLKXZDXQW-SNVBAGLBSA-N 205.282 2.490 0 40 BEAB Nc1ccc(Cl)nc1OC(F)(F)F 118592768 VGWGHIZGQMKJBX-UHFFFAOYSA-N 212.558 2.216 0 40 BEAB Cc1cc2nc(CCC(=O)O)n(C)c2cc1C 211871240 RVOADYNGBJHTBO-UHFFFAOYSA-N 232.283 2.207 0 40 BEAB CCn1c(C=O)cc(Br)c1C 225299652 PVAYJKBJWVKFJS-UHFFFAOYSA-N 216.078 2.391 0 40 BEAB COP(=O)(OC)[C@@H](O)[C@@H]1CC=CCC1 238360214 JWPDKPCAOFVQNW-RKDXNWHRSA-N 220.205 2.147 0 40 BEAB Cn1nccc1-c1ccc2c(c1)OCCC[C@H]2O 521396565 NRRYWKBSONUYKA-CYBMUJFWSA-N 244.294 2.293 0 40 BEAB Cc1cc(C)n2nc(C3CCC3)nc2n1 575423374 TWHUNIGRHHHYCT-UHFFFAOYSA-N 202.261 2.009 0 40 BEAB Cc1cnc(OC2CCN(C(C)C)CC2)nc1 653803227 KTDDRTJVLLWRAW-UHFFFAOYSA-N 235.331 2.037 0 40 BEAB CP(C)(=O)c1cccc(Br)c1N 1776011376 WDGGFBQFKMRICL-UHFFFAOYSA-N 248.060 2.279 0 40 BEAB COC(=O)c1[nH]c2ccc(F)cc2c1F 1857793661 WQNNFEJQRGJMSB-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB O=C1C=CC(=O)N1c1ccccc1C(F)(F)F 78394 ZDJBEIFRRVXFFW-UHFFFAOYSA-N 241.168 2.135 0 40 BEAB CCNc1nc(Cl)nc(C(F)(F)F)c1N 1691399 ZQUKKJPHMUZSJC-UHFFFAOYSA-N 240.616 2.163 0 40 BEAB CCCC(CCO)(CCO)c1ccccc1 1707764 RCNZXFQYVXUHBN-UHFFFAOYSA-N 222.328 2.489 0 40 BEAB O=C(COC(=O)c1ccncc1)c1ccccc1 3228153 VLJKXPUQNREOQD-UHFFFAOYSA-N 241.246 2.121 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)O)[C@@H]1C 4679854 NIRDHFACMWVWAA-GMTAPVOTSA-N 241.331 2.182 0 40 BEAB CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 6263695 LTVIPHRKFGSEGC-VIFPVBQESA-N 235.283 2.045 0 40 BEAB CC(C)(C)n1nnc(-c2ccccc2)n1 6781475 BSZQFTLIMOHPIL-UHFFFAOYSA-N 202.261 2.095 0 40 BEAB O=C(O)[C@H]1CCCN1Cc1ccccc1Cl 6884544 ALBVGWFFCGZRBU-LLVKDONJSA-N 239.702 2.389 0 40 BEAB Cc1cc(O)c2c(N)ccc(Cl)c2n1 12422101 GQFVXZGRBFWVBC-UHFFFAOYSA-N 208.648 2.484 0 40 BEAB N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 20261201 XURCCJOGZFFRKU-OLZOCXBDSA-N 213.284 2.070 0 40 BEAB in-vitro Cc1cc(N)ccc1NC(=O)c1cccnc1 20344192 PPCHYXWGCMFNRO-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB Cc1ccc(CNC(=O)CCc2ccco2)n1C 25467324 KYRQZNHNVCVWGS-UHFFFAOYSA-N 246.310 2.176 0 40 BEAB CCc1nn(C)c(N)c1-c1ccccc1OC 26511741 MADLTZJKMNTKFC-UHFFFAOYSA-N 231.299 2.240 0 40 BEAB Cc1ccc(CN(C)C(=O)C2CCC2)o1 33024039 VDOYNUCONQEKRB-UHFFFAOYSA-N 207.273 2.347 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1O 38417720 FXVLUNMZSAJYNE-UWVGGRQHSA-N 229.320 2.205 0 40 BEAB COC(=O)c1cc2cccc(N)c2s1 39086987 OWASVDSNOKBQKG-UHFFFAOYSA-N 207.254 2.270 0 40 BEAB in-vitro Brc1ccc2c(n1)CCCN2 40165655 IDYOBWKVTSMJBF-UHFFFAOYSA-N 213.078 2.202 0 40 BEAB in-vitro Nc1nc2ncc3c(c2s1)CCCC3 40175512 NPUOHQJXLBSNJC-UHFFFAOYSA-N 205.286 2.152 0 40 BEAB CC1CCN(Cc2nc(C(C)C)no2)CC1 40489577 JOBKEPAXCNMNMZ-UHFFFAOYSA-N 223.320 2.425 0 40 BEAB CC(C)n1c(CC(=O)O)nc2ccccc21 40928764 SZJPHLQAUJBQPK-UHFFFAOYSA-N 218.256 2.244 0 40 BEAB Cc1cccc(-c2n[nH]c(C3CC3)n2)c1N 41058726 VUAIQGWTACGWJN-UHFFFAOYSA-N 214.272 2.240 0 40 BEAB CNC(=O)C[C@@H]1CCCc2ccccc21 41212036 SCVPVDOBZDUAPT-NSHDSACASA-N 203.285 2.243 0 40 BEAB Cc1noc(C)c1C(=O)N[C@H](C)Cc1ccco1 44913205 BFLFXERKWXLOHG-MRVPVSSYSA-N 248.282 2.245 0 40 BEAB COc1cc2ccc(CO)nc2cc1Cl 57348639 SZUODYBXOIKQEZ-UHFFFAOYSA-N 223.659 2.389 0 40 BEAB COc1ccc([C@@H]2CCCCN2C)cn1 72211678 FWFQSNCGOZDMOU-NSHDSACASA-N 206.289 2.247 0 40 BEAB c1cc(NC2CC2)ncc1C1=NCCC1 72213759 YGXZNAHHFHSZMX-UHFFFAOYSA-N 201.273 2.239 0 40 BEAB CC[C@H](N)c1cnc(NC2CC2)cc1C 72223818 XFXJRTAPNTUOPL-NSHDSACASA-N 205.305 2.374 0 40 BEAB CC[C@H](C)NC(=O)Cc1ccc(OC)c(C)c1 74959606 SXUQBVJHWUCTAT-NSHDSACASA-N 235.327 2.461 0 40 BEAB O=C(O)c1ccc([C@@H]2CCCCN2)cc1 75869119 QYUXAHUIKUOCQP-NSHDSACASA-N 205.257 2.199 0 40 BEAB Cc1ccc([C@@H]2CCCN2C(=O)CCN)cc1C 83906046 YLTBQWARLAOBDR-AWEZNQCLSA-N 246.354 2.316 0 40 BEAB CCN[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 95091423 XIJOIAYXSDNCDG-ZDUSSCGKSA-N 242.363 2.386 0 40 BEAB C[C@@H]1CC[C@H](C(=O)Nc2cc(O)cc(F)c2)O1 95450287 ZTASEZBMIDZFTR-RDDDGLTNSA-N 239.246 2.037 0 40 BEAB O=C(OCCOC(F)(F)F)c1ccccc1 96308549 KEEWKEQGISAYAD-UHFFFAOYSA-N 234.173 2.380 0 40 BEAB N[C@H]1CCCN(CCCCc2ccccc2)C1 96523549 INDHTHGSTADQOH-HNNXBMFYSA-N 232.371 2.432 0 40 BEAB COCc1noc([C@@H](C)N2CCC(C)(C)C2)n1 97085984 XJUFXFDRZNKIPL-SECBINFHSA-N 239.319 2.009 0 40 BEAB Cc1cc(F)cc(C(=O)Nc2cnccn2)c1 97146087 ZPCFCVZABJLIAG-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB O=C(N[C@H]1CC[C@H](O)CC1)OCc1ccccc1 100060860 JNPBKQOVSMBPGE-BETUJISGSA-N 249.310 2.216 0 40 BEAB Cc1nccnc1-n1c(C)nc2ccccc21 214750492 FAORPMYQQABQNH-UHFFFAOYSA-N 224.267 2.432 0 40 BEAB CCc1ccc2nccc(NCCN)c2c1 222677718 BUKCLNQKZYQZSL-UHFFFAOYSA-N 215.300 2.168 0 40 BEAB CNCCCNc1ccnc2ccc(OC)cc12 222681154 HHNVJKSODSQUJZ-UHFFFAOYSA-N 245.326 2.265 0 40 BEAB O=C1OCOc2cc(F)c(Br)cc21 258833532 KOPMEXJRDUNNLT-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB C=Cc1ccc(C(=O)COC(C)=O)cc1 394662267 FNXVMNLRSUITKS-UHFFFAOYSA-N 204.225 2.075 0 40 BEAB CC[C@@H](C(=O)O)n1cc(C)c(C(F)F)n1 408715869 GBOPNQBVFKNDDR-LURJTMIESA-N 218.203 2.165 0 40 BEAB Cc1oncc1CNC(=O)c1ccccc1F 575607332 ZZIKHRWFKRELID-UHFFFAOYSA-N 234.230 2.052 0 40 BEAB COc1c(C)[nH]c2ccc(F)cc2c1=N 616575623 FRGKPBDYAQSBOO-UHFFFAOYSA-N 206.220 2.103 0 40 BEAB C[C@H](NC(=O)c1ccc(=O)oc1)c1ccccc1 550149 QUTXSERKGMGPSH-JTQLQIEISA-N 243.262 2.131 0 40 BEAB COc1cc2c(cc1OC)[C@H](C)N(C)CC2 1669445 HRSIPKSSEVRSPG-VIFPVBQESA-N 221.300 2.253 0 40 BEAB biogenic,in-vitro O=C1c2ccccc2C(=O)n2nc3ccccc3c21 1715956 LRYSRIANGPRKDJ-UHFFFAOYSA-N 248.241 2.269 0 40 BEAB CCO[C@@]1(C)C(=O)C(C)(C)[C@@]1(C)Cl 1722294 JONJCNNNZLUUAY-VHSXEESVSA-N 204.697 2.388 0 40 BEAB Cc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 6212783 NNCXQDRDIJVINL-LBPRGKRZSA-N 234.299 2.296 0 40 BEAB CC[C@@H](C)NCC(=O)Nc1ccc(F)c(F)c1 6602946 AFWPFRGHENQQET-MRVPVSSYSA-N 242.269 2.291 0 40 BEAB CCc1ccc(C(=O)C2CCNCC2)cc1 11630758 PPMGGWYFQJIILA-UHFFFAOYSA-N 217.312 2.431 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)O 12318415 UJNOLBSYLSYIBM-WYUUTHIRSA-N 228.332 2.371 0 40 BEAB CC(C)CCNC(=O)c1cccc2cn[nH]c12 12921954 AGPWLWRCLXXQGY-UHFFFAOYSA-N 231.299 2.339 0 40 BEAB Cn1ccc(NC(=O)CCc2ccsc2)n1 18949015 HBBDLANHHDKINL-UHFFFAOYSA-N 235.312 2.053 0 40 BEAB NCCCO[C@@H]1CCCc2ccccc21 19274544 JENULZRUMFTMNL-CYBMUJFWSA-N 205.301 2.429 0 40 BEAB in-vitro CC[C@H](Oc1cccc(C)c1)C(=O)NC1CC1 20105474 BVHFVZRXRMPKCF-ZDUSSCGKSA-N 233.311 2.431 0 40 BEAB Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1 20266780 RGIZTSOFIVJUAO-GFCCVEGCSA-N 219.284 2.044 0 40 BEAB biogenic Nc1ccc(-c2nc3ccccc3[nH]2)cn1 20268559 VIHRGSUFMGKDHL-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vitro Brc1nc2c([nH]1)CCCC2 26507068 VBOVGHHSVZJAOI-UHFFFAOYSA-N 201.067 2.051 0 40 BEAB CN1CCC(Oc2ccc(Cl)cc2N)CC1 31978711 WMOSOFFFAVPKSM-UHFFFAOYSA-N 240.734 2.395 0 40 BEAB CSc1ccc(C)c(C(=O)N(C)C)c1 32752781 XYIHHKSAIHPKJU-UHFFFAOYSA-N 209.314 2.419 0 40 BEAB CCN1CCC(NCc2cccc(OC)c2)CC1 32916989 YETRLMKXLCJKIZ-UHFFFAOYSA-N 248.370 2.269 0 40 BEAB CN(CC(=O)Nc1ccccc1)C1CCCC1 36396676 PHLUUISMYMADGY-UHFFFAOYSA-N 232.327 2.500 0 40 BEAB c1ccc(NCCc2n[nH]c(C3CC3)n2)cc1 41161482 FZLWDDPCIVYUMR-UHFFFAOYSA-N 228.299 2.337 0 40 BEAB NCC(=O)N(C1CCCCC1)C1CCCCC1 42205392 BZWIYVSBKXFKRV-UHFFFAOYSA-N 238.375 2.439 0 40 BEAB CCCc1ccccc1NC(=O)NCCOC 44080277 LRCBPXIKQHFWOR-UHFFFAOYSA-N 236.315 2.407 0 40 BEAB CCN(CC)C(=O)Cc1cc(C)ccc1OC 44869723 OSNPNBUQMSWVME-UHFFFAOYSA-N 235.327 2.415 0 40 BEAB Cc1cc(C(=O)NC2CCC(C)CC2)on1 44874906 TZLXIELYCYSGIY-UHFFFAOYSA-N 222.288 2.292 0 40 BEAB Cc1ccc2c(N)c(C(=O)O)cnc2c1C 47913059 UXGYSGLXTNJNDI-UHFFFAOYSA-N 216.240 2.132 0 40 BEAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1cnn2C 49548994 WQTZQBMDHOLGQX-QMMMGPOBSA-N 246.270 2.149 0 40 BEAB CCc1cc(NC)nc(-c2ccccn2)n1 50850907 NRFNVZKWQPTWAU-UHFFFAOYSA-N 214.272 2.143 0 40 BEAB c1cnc(N[C@H]2CCOc3ccccc32)nc1 52076654 IKPJGKJNSRHHTE-NSHDSACASA-N 227.267 2.412 0 40 BEAB CC(=O)c1cc(C(=O)N2CCC[C@H](C)C2)n(C)c1 53495073 XOXCYXXGSKWMJQ-JTQLQIEISA-N 248.326 2.100 0 40 BEAB COc1cccc([C@H]2CCCN2CCCO)c1 54668678 KERGVFFBWMRXRD-CQSZACIVSA-N 235.327 2.215 0 40 BEAB Cc1cc(C(=O)O)c(Cl)nc1Cl 67172197 SHICBPVSWKNERH-UHFFFAOYSA-N 206.028 2.395 0 40 BEAB CCCOC(=O)[C@H](c1ccccc1)n1cccn1 68543001 VDXAMWKKUIJGCR-ZDUSSCGKSA-N 244.294 2.426 0 40 BEAB Cc1nc([C@H]2CCCN2Cc2cccnc2)no1 72357076 SRHGGZOMRDQBEQ-GFCCVEGCSA-N 244.298 2.110 0 40 BEAB Cc1cc(N)cc(I)c1 75629717 LOUHGQOWBDORSI-UHFFFAOYSA-N 233.052 2.182 0 40 BEAB CC(C)n1cnc2c1CCC[C@@H]2CCN 76088499 OFJFAGAKTXJUFG-SNVBAGLBSA-N 207.321 2.233 0 40 BEAB NCc1ccc2[nH]ccc2c1Br 82360984 NFWIKEVEZYYCJJ-UHFFFAOYSA-N 225.089 2.389 0 40 BEAB CC1CC(C(=O)N2CCS[C@H](C)[C@H]2C)C1 84766867 IJDTUOJQTXCTLD-WYNUPADASA-N 227.373 2.385 0 40 BEAB CC1(C)[C@]2(CC(N)=S)CC[C@@]1(C)C(=O)C2 85398805 UTXWNPUTMIPZSH-NWDGAFQWSA-N 225.357 2.448 0 40 BEAB CC(C)C[C@H](C)NCCCN1CCCC1=O 89802438 CTJZSDGEFJHOOU-LBPRGKRZSA-N 226.364 2.023 0 40 BEAB Cc1cn(-c2ccc(C(=O)O)cc2F)cn1 95080253 KGOGCTFTOGIJIU-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB in-vitro C[C@H]1CC[C@@H](COC(=O)c2ccoc2)O1 95446125 FBKKYUZIFOVWBS-WPRPVWTQSA-N 210.229 2.004 0 40 BEAB C[C@]1(NC(=O)OCc2ccccc2)CCCNC1 95831042 ZPCVHIWLFMTOSY-AWEZNQCLSA-N 248.326 2.055 0 40 BEAB CCn1cc(N)c(NC2CCCCC2)n1 95836753 BKBBZHJEDVGEIJ-UHFFFAOYSA-N 208.309 2.230 0 40 BEAB CO[C@@H]1Sc2ccccc2NC(=O)[C@H]1F 96171726 FYKUWOGIAABHAR-PSASIEDQSA-N 227.260 2.041 0 40 BEAB C[C@H](NC(=O)c1cnn(C)c1)c1ccc(F)cc1 138555126 DTJFCLRIAGHRNL-VIFPVBQESA-N 247.273 2.050 0 40 BEAB C[C@H]1CSC(SCCCC(=O)N(C)C)=N1 188136809 HOHKTRWTFKTVGJ-QMMMGPOBSA-N 246.401 2.079 0 40 BEAB O=C1[C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@H]3[C@@H]2C(Cl)(Cl)[C@H]5[C@H]14 195529090 LOPCDUAQBZDNKR-BTQLFNBWSA-N 229.106 2.117 0 40 BEAB CCc1cc(N)cc(Br)c1O 216738296 DBIGKJKAQSZFRP-UHFFFAOYSA-N 216.078 2.299 0 40 BEAB CCOC(=O)c1n[nH]c([C@H](C)c2ccccc2)n1 221446409 XTPXZEBKBUAMES-SECBINFHSA-N 245.282 2.133 0 40 BEAB CCCNc1ccc(C(=O)NC(C)C)cc1N 225405884 PLXHXMYJEIPVKS-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB CNCc1c(Cl)nc2sc(C)cn12 256054995 YRYMDEYNMVXAQZ-UHFFFAOYSA-N 215.709 2.077 0 40 BEAB COC(=O)c1[nH]ccc1-c1cccc(OC)c1 257870432 AQHWSKLIGOVXLP-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB O=Cc1c(Cl)ccn(CC2CCC2)c1=O 575421841 BUHPAHPXTRPEPW-UHFFFAOYSA-N 225.675 2.114 0 40 BEAB Cc1nccnc1OC1CCC(N(C)C)CC1 585651112 KQPNRUWDCISJCM-UHFFFAOYSA-N 235.331 2.037 0 40 BEAB FC(F)c1cccc(N2CCOCC2)c1 1857793694 MDYNFKQADNAUNG-UHFFFAOYSA-N 213.227 2.461 0 40 BEAB Cc1ccc(NC(=O)c2cnn(C)c2)cc1F 375952 SESZWNMPKZDFNM-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CCOC(=O)CN1Cc2cc(C)c(C)cc2C1 559712 ZULOBNGBCKYPSK-UHFFFAOYSA-N 233.311 2.182 0 40 BEAB CC1(C)CC(NCc2ccncc2)CC(C)(C)N1 798147 YTCVAFLCWSUARN-UHFFFAOYSA-N 247.386 2.480 0 40 BEAB CC(=O)N[C@@H]1CCCC[C@H]1C1CCC(N)CC1 1579179 OVPICLNSCJKJLW-CLRIEMFWSA-N 238.375 2.199 0 40 BEAB CC(=O)Oc1ccc(OC(C)=O)c2c1CC=CC2 1608614 XVBYYBJLKRDWRZ-UHFFFAOYSA-N 246.262 2.192 0 40 BEAB O=C1NC(=O)[C@@H](Cc2cc3ccccc3o2)S1 4110182 ZWYUQEXIJUOOOQ-SNVBAGLBSA-N 247.275 2.327 0 40 BEAB CC(C)CO[C@H]1C(=O)CCC[C@H]1CCC(=O)O 4181825 IGZDTIAVSQHVMM-GXFFZTMASA-N 242.315 2.262 0 40 BEAB CNc1nnc(-c2cccc(F)c2)s1 5015543 JUOASLXYODQOMM-UHFFFAOYSA-N 209.249 2.386 0 40 BEAB Sc1nnc2ccc3ccccc3n12 5594306 GQJIGZUQXYCDJW-UHFFFAOYSA-N 201.254 2.171 0 40 BEAB in-vitro CC(C)(C)N1C[C@H](CO)O[C@H]1c1ccccc1 6493037 JERBWURCWWHQBK-OLZOCXBDSA-N 235.327 2.177 0 40 BEAB CC(C)n1c(NCCCO)nc2ccccc21 6855765 WOCKZRQNWLGXKU-UHFFFAOYSA-N 233.315 2.412 0 40 BEAB Cc1ccc(NC(=O)c2cnc(C)cn2)cc1 8753615 FIBFVBLTKQLMKF-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB COc1ccc(C(=O)C2CCNCC2)cc1C 11630764 XRXWUYSYSGBANC-UHFFFAOYSA-N 233.311 2.186 0 40 BEAB in-vitro CC[C@@H](Cc1ccc(OC)cc1OC)C(=O)O 11976935 VAYMULOIIFDMSY-VIFPVBQESA-N 238.283 2.357 0 40 BEAB COc1ccc(C(=O)N2CCCC2)cc1F 12978864 CCYGDMWGDOSPDN-UHFFFAOYSA-N 223.247 2.070 0 40 BEAB O=C1OCC/C1=C/OCCc1ccccc1 17041145 IRXSJGAXJUGEME-BENRWUELSA-N 218.252 2.077 0 40 BEAB CC(C)C[C@@H](N)C(=O)N(C)Cc1ccccc1 19476828 RLBDAOSSJZBCNF-CYBMUJFWSA-N 234.343 2.018 0 40 BEAB Cn1cnnc1Sc1ccc(N)cc1Cl 19845624 CZSCDROOJNZEQA-UHFFFAOYSA-N 240.719 2.202 0 40 BEAB in-vitro O=C(O)C(=O)Nc1ccc(Cl)c(Cl)c1 20030215 SWKJJZISAXATCK-UHFFFAOYSA-N 234.038 2.017 0 40 BEAB Cc1ccc(C(=O)N2CCCCC2)cc1N 20194698 SYQWHCZODZCZPI-UHFFFAOYSA-N 218.300 2.203 0 40 BEAB Cc1ccccc1C(=O)N[C@H](C)c1cnn(C)c1 28574063 HTJVLTMAKDBXCL-LLVKDONJSA-N 243.310 2.220 0 40 BEAB COc1ccc2nc(N3CCOCC3)ccc2c1 32011314 XSLDBWZLBGPIAO-UHFFFAOYSA-N 244.294 2.080 0 40 BEAB Cc1ccccc1CN(CCN)C(C)C 32011645 QPNUTKVNYWATNL-UHFFFAOYSA-N 206.333 2.164 0 40 BEAB Cc1cc(F)ccc1S(=O)(=O)NCC(C)C 32906663 GQLVFQQAWDYXOW-UHFFFAOYSA-N 245.319 2.068 0 40 BEAB CC[C@@H](C)NC(=O)COc1cccc(F)c1 32942953 HFCURTSFYWCXDL-SECBINFHSA-N 225.263 2.119 0 40 BEAB Clc1nc(Cl)c(C2OCCO2)s1 34624350 PIXNOZYDMRHICD-UHFFFAOYSA-N 226.084 2.495 0 40 BEAB in-vitro O=C(NC[C@@H]1CCCO1)c1c[nH]c2ccccc12 35133707 DMSKQVNWVAPHAO-JTQLQIEISA-N 244.294 2.077 0 40 BEAB O=C(O)c1cccn1-c1cccc(F)c1 35431497 SCUODTLWPCLIKW-UHFFFAOYSA-N 205.188 2.315 0 40 BEAB CC(=O)OCC(=O)Cc1ccc(Cl)cc1 38892270 MRFNAPDKSCOTOB-UHFFFAOYSA-N 226.659 2.015 0 40 BEAB C[C@@H](NS(C)(=O)=O)c1ccc(Cl)s1 39971766 OAGPVEHSINSXOA-RXMQYKEDSA-N 239.749 2.012 0 40 BEAB CCN(Cc1ccccc1)[C@@H]1CCCNC1 42783284 UAJKVHDLTQTDQO-CQSZACIVSA-N 218.344 2.261 0 40 BEAB Nc1ncc(C(=O)O)cc1-c1ccccc1 47207261 DPGNSCQEQVBQOA-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB N[C@@H]1CCN(C(=O)c2csc3ccccc23)C1 50228176 UUUSLXXZFZGMCD-SECBINFHSA-N 246.335 2.075 0 40 BEAB COc1ccc(CC(C)(C)O)c(OC)c1 57496252 LISZWUTWHFJAQQ-UHFFFAOYSA-N 210.273 2.017 0 40 BEAB O=C(O)c1nc(-c2ccccc2)ncc1Cl 58041066 VBKYYZTUJFIZJI-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB Cc1c(C(=O)N(C)[C@H](C)C(C)(C)C)cnn1C 58291333 ITKSHSBHQURTBY-SNVBAGLBSA-N 237.347 2.235 0 40 BEAB NC[C@]1(CO)C[C@H]1c1ccc(Cl)c(Cl)c1 62713453 UBDQFPICMKRFMH-KWQFWETISA-N 246.137 2.418 0 40 BEAB Cc1ccc(-c2nc(O)c3nccnc3n2)cc1 71255920 NEWUJTGSJHUANZ-UHFFFAOYSA-N 238.250 2.101 0 40 BEAB CC(C)(C)OC(=O)N1CCNC[C@H]1C(C)(C)C 71863761 OYUQSTKTENQARL-JTQLQIEISA-N 242.363 2.241 0 40 BEAB CCN(CC)C(=S)S[C@@H]1C[C@H](C)OC1=O 72685732 LWYQSYPRAPNDIA-JGVFFNPUSA-N 247.385 2.050 0 40 BEAB O=C(OCC[C@H]1CCCO1)c1ccoc1 75094498 KWFPKRZRTFJJAJ-SNVBAGLBSA-N 210.229 2.006 0 40 BEAB Nc1ccc(F)cc1[C@@H](O)c1ccccc1 75870594 UQTSPPGSBDWROX-ZDUSSCGKSA-N 217.243 2.490 0 40 BEAB CC(C)(C)OC(=O)N1[C@@H](CN)CCC1(C)C 83069721 WEVUWHRKMLMMGE-SECBINFHSA-N 228.336 2.123 0 40 BEAB CC(C)(C)OC(=O)N1Cc2ccc(CN)cc2C1 83428811 OGYVTVAVBOUPSP-UHFFFAOYSA-N 248.326 2.396 0 40 BEAB CC(C)CCC(=O)OCc1nncn1C1CC1 89492250 ZCZOVRUBMCYUSN-UHFFFAOYSA-N 237.303 2.092 0 40 BEAB CCCn1c(C)nnc1SCCCF 89706557 RVOWBOSOTRCDMZ-UHFFFAOYSA-N 217.313 2.448 0 40 BEAB O=C(NC[C@H]1C[C@H]1c1ccccc1)NC1CC1 89827969 SIXZOAQDUXMOHH-YPMHNXCESA-N 230.311 2.252 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(C2CCC2)nn1C 89921929 OIAWQAVYYZVPQJ-SCZZXKLOSA-N 233.315 2.282 0 40 BEAB O=C(NCCc1ccoc1)[C@H]1CC=CCC1 90607408 GUHNZHFNMVGKAZ-LBPRGKRZSA-N 219.284 2.295 0 40 BEAB O=C(c1ccncc1Cl)C(F)(F)F 91355987 ICCNDTGRGXLQCF-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB COc1ccc(C2([C@H](C)O)CC2)c(C)c1 95739128 RHKGDYLBMJKSFB-JTQLQIEISA-N 206.285 2.416 0 40 BEAB Cn1cc2nc(Cl)nc(Cl)c2c1 95742992 NFNRZFJLXGDBDI-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CSC[C@H](C)OC(=O)c1ccoc1C 96452577 PRYURARLPHBJFZ-ZETCQYMHSA-N 214.286 2.496 0 40 BEAB C[C@@H](CNC(=O)C1CCCCCC1)CC(=O)O 97016305 WBCUFWICIDKPEU-SNVBAGLBSA-N 241.331 2.184 0 40 BEAB CC1=C(C)[C@@]2(C)[C@]3(C)C(=O)N[C@]1(C)[C@@]32C 101036024 DAMHKCOHRUYAPL-ZDEQEGDKSA-N 205.301 2.257 0 40 BEAB CCN(CC)CCN(C)[C@H]1C[C@H]2CC[C@H]1C2 104835429 OVTHEYGGMFSAIR-IHRRRGAJSA-N 224.392 2.449 0 40 BEAB CC[C@@H]1CCCCCN1C(=O)C[C@@H](N)C1CC1 125635385 SHSYXPMFGFNDMU-CHWSQXEVSA-N 238.375 2.295 0 40 BEAB C/C=C(\C)C(=O)Nc1ccc(O)cc1F 186285214 CDZNRQXWAUTLEH-XVNBXDOJSA-N 209.220 2.436 0 40 BEAB CCOC(=O)c1cc2c([nH]1)CC(F)(F)CC2 220358387 FFJQVVVQGHPWHD-UHFFFAOYSA-N 229.226 2.315 0 40 BEAB CCc1c(C)c2ccc(N)cc2oc1=O 221046961 QELJSRMHQJVTAT-UHFFFAOYSA-N 203.241 2.246 0 40 BEAB CC(=C\C(=O)O)/C=C(\C)C[C@H](C)C(=O)O 225460319 QEOAMNGZTSERJN-XDRIWWAASA-N 212.245 2.074 0 40 BEAB biogenic,in-vitro CON(C)C(=O)c1cc(Cl)c(Cl)nc1C 242390272 AHVPRNSTTGJBCX-UHFFFAOYSA-N 249.097 2.330 0 40 BEAB C[C@@H](O[C@@H]1CCNC1)c1cnccc1Cl 252497802 QQODXIPCGBFVFU-RKDXNWHRSA-N 226.707 2.175 0 40 BEAB Cc1cc(N2C[C@@H]3CCC[C@H]3C2)ncn1 301587042 BOLMYUQMTZWCOB-QWRGUYRKSA-N 203.289 2.021 0 40 BEAB COC(=O)c1ccc(C(=O)C2CC2)c(C)c1 309509482 ODVKVSRJRJYVHT-UHFFFAOYSA-N 218.252 2.374 0 40 BEAB Cc1cccnc1OC[C@@H]1CCCCO1 585655147 UVZAVLAVGLNPTC-NSHDSACASA-N 207.273 2.338 0 40 BEAB CC(F)(F)CNc1ncc(F)cc1F 700190550 FMQUNPXRZBDJNX-UHFFFAOYSA-N 208.158 2.427 0 40 BEAB O=C1c2ccccc2[C@@H](O)N1Cc1cccs1 4108791 OSDOXTSQSIHFHD-GFCCVEGCSA-N 245.303 2.395 0 40 BEAB O=C(O)[C@]1(Cc2ccc(Cl)cc2)CCCN1 4240988 DUUJMFUJPCIUHO-GFCCVEGCSA-N 239.702 2.089 0 40 BEAB C[C@H]1[C@H]2C[C@H]([C@H](CN(C)C)C2=O)C1(C)C 4361033 IORDCIHONMRMKU-ZRUFSTJUSA-N 209.333 2.045 0 40 BEAB COc1ccc(-c2cnc(N)s2)cc1 5513995 MVRGZAICFHFZIJ-UHFFFAOYSA-N 206.270 2.401 0 40 BEAB O=C(Cc1cccs1)NCCc1ccccn1 6831789 CQNZBDLRYUDKJT-UHFFFAOYSA-N 246.335 2.045 0 40 BEAB COc1ccc2c(c1)[C@@H](O)CC(C)(C)O2 11568128 OGDIMNNYYGBSQY-JTQLQIEISA-N 208.257 2.290 0 40 BEAB endogenous,in-man NC(=O)c1ccc(-n2cnc3ccccc32)cc1 13782573 NABMFKHQADUPDB-UHFFFAOYSA-N 237.262 2.124 0 40 BEAB CCCOc1ccccc1CNCCOC 20924544 IEPOJCNTBGDVMT-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB CCCNC(=O)/C=C/c1ccc2c(c1)CCO2 22836719 OPHSCFBNYOORNI-GQCTYLIASA-N 231.295 2.161 0 40 BEAB O=C1C[C@H](c2ccccc2)N=C2SCCN12 33884722 UXZDBCUMONUNIE-SNVBAGLBSA-N 232.308 2.063 0 40 BEAB Cc1cnn(Cc2cc(F)ccc2F)c1N 37233427 XUPXJNQWWUIRON-UHFFFAOYSA-N 223.226 2.100 0 40 BEAB in-vitro O=C(c1ccc(F)cc1)c1ccccn1 37463984 FDXVCQMVVSWKLM-UHFFFAOYSA-N 201.200 2.452 0 40 BEAB in-vitro Cc1nc2ccccc2n1[C@H]1CCC[C@@H]1O 37489908 BMHILEJFLIAHKZ-STQMWFEESA-N 216.284 2.431 0 40 BEAB Fc1cnc(Br)c2cc[nH]c12 43220688 HJIHKYHPHRKMQS-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB in-vitro CCC(=O)[C@@H]1CCc2ccccc2C1=O 43651297 RPFZFVUKQMJQBZ-NSHDSACASA-N 202.253 2.411 0 40 BEAB COCCCNCc1cccc(C)c1C 48219018 SDPYMMGRGHETMX-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB COc1ccc([C@H]2CCC[C@@H]2O)c(OC)c1 55233032 APENRJFZANKMHC-PWSUYJOCSA-N 222.284 2.332 0 40 BEAB c1nc(N2CCC2)c2c3c(sc2n1)CCC3 57536216 NGJZVRNAHUJEQW-UHFFFAOYSA-N 231.324 2.390 0 40 BEAB CC[C@@](C)(O)CNC(=O)Nc1ccccc1F 58195877 FGOVMOGIAASPAP-GFCCVEGCSA-N 240.278 2.108 0 40 BEAB CN(C)C(=O)CSc1ccc(F)c(F)c1 61163098 HNBLNVQWHHOXTH-UHFFFAOYSA-N 231.267 2.145 0 40 BEAB Brc1nnc(C2CCOCC2)s1 71051734 OJBZZQGPZIRQEX-UHFFFAOYSA-N 249.133 2.195 0 40 BEAB Cc1cc(C(N)=O)cc(C)c1OC(F)F 71886366 PFZCCINRWGOIBE-UHFFFAOYSA-N 215.199 2.004 0 40 BEAB Cc1ccnc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72187519 SWDGEGUIBMAVCN-GFCCVEGCSA-N 247.342 2.147 0 40 BEAB O=C([C@H]1CC=CCC1)N1CC[C@@H](c2cc[nH]n2)C1 72187622 ANRCWAUUNYCYJA-NWDGAFQWSA-N 245.326 2.082 0 40 BEAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccccc2)o1 72227354 UNDJYBILXHRWCS-QWHCGFSZSA-N 242.278 2.003 0 40 BEAB Cn1cnnc1[C@H]1CCCN1C1CCCCC1 72356844 UNLRHPGKUCFNLU-GFCCVEGCSA-N 234.347 2.285 0 40 BEAB COC(=O)Cc1ccccc1OC(F)F 78406449 OMQBVZYZSNIRGB-UHFFFAOYSA-N 216.183 2.004 0 40 BEAB CNCc1cc(C)n(C[C@@H]2CCCO2)c1C 78582729 YCFZRPCQSQAJEJ-ZDUSSCGKSA-N 222.332 2.003 0 40 BEAB C[C@@H](NC[C@H](N)c1ccccc1)c1nccs1 80310459 XRLVYKCVJQZARP-PWSUYJOCSA-N 247.367 2.494 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)c2cc[nH]n2)cc1F 88235034 SYOPHKSLRHRPMB-SECBINFHSA-N 247.273 2.348 0 40 BEAB CNC(=O)CCCN(C)Cc1ccc(C)c(C)c1 93717971 IFTZQCDMIIPABI-UHFFFAOYSA-N 248.370 2.261 0 40 BEAB COc1cc(Br)ccc1CCCO 95348197 LUCNACDGUKTNLV-UHFFFAOYSA-N 245.116 2.383 0 40 BEAB in-vitro C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccon1 95429842 LXCVPFDGDPAYCO-VIFPVBQESA-N 246.266 2.213 0 40 BEAB Cc1ncc(NC(=O)OC(C)(C)C)cn1 95635077 VXCGFBHSIALEJK-UHFFFAOYSA-N 209.249 2.132 0 40 BEAB in-vitro CCOc1cccc(C2([C@H](C)O)CC2)c1 95739186 SFRNYIZIMOIBKH-JTQLQIEISA-N 206.285 2.498 0 40 BEAB CCCn1cc(NC(=O)[C@H](C)CSC)cn1 96431435 YSNLSBHMAFUIRX-SECBINFHSA-N 241.360 2.231 0 40 BEAB Cc1nc(COC(=O)[C@@H]2C[C@H]2C)sc1C 96442726 QJBXIPPMUWFIFT-HZGVNTEJSA-N 225.313 2.459 0 40 BEAB O=C(O)C1CC2(C1)CC1(C2)SCCS1 96527932 NJBKCUUPAPSVGH-UHFFFAOYSA-N 230.354 2.438 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1C(C)(C)C 96987028 XBVWSUNLCPVWSK-NXEZZACHSA-N 242.363 2.369 0 40 BEAB Cc1ccc(C(=O)OCCOc2cccnc2)o1 97010602 RGONGYXFVPDGOJ-UHFFFAOYSA-N 247.250 2.219 0 40 BEAB C[C@H](NC(=O)C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 102583011 XUKIOVWVGJVCDC-FSZOTQKASA-N 207.317 2.337 0 40 BEAB O=C1c2ccccc2-c2n[nH]c(=O)c3cccc1c23 111926203 GNRKYCMWPJCWIR-UHFFFAOYSA-N 248.241 2.135 0 40 BEAB CCOc1ccc(C[C@@H](OCC)C(=O)O)cc1 141226861 VITPHRYWSCHVHB-GFCCVEGCSA-N 238.283 2.118 0 40 BEAB c1csc(-c2cnc3n2CC[C@@]32CCNC2)c1 306125226 CJXZLONDONGPAP-CYBMUJFWSA-N 245.351 2.246 0 40 BEAB c1cc(-c2csc(O[C@@H]3CCOC3)n2)c[nH]1 904843398 LFRAXDJYJTYJJR-SECBINFHSA-N 236.296 2.306 0 40 BEAB c1ccc(COc2cncc(C3CNC3)c2)cc1 1857794065 HACGXVAVWIKUPR-UHFFFAOYSA-N 240.306 2.347 0 40 BEAB Cc1ccc(CNC(=O)c2cccnc2)cc1 344696 MBVYUJOPDJCFJK-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB CC(C)Oc1ccc([C@@H]2CC(=O)N(C)C2)cc1 366252 MOALYFXRHHPTTE-GFCCVEGCSA-N 233.311 2.420 0 40 BEAB COc1ccc(-c2nnc(SC)o2)cc1 416264 KSAQYQYMAIEAGV-UHFFFAOYSA-N 222.269 2.467 0 40 BEAB O=C1c2ccccc2[C@@H]2c3cccn3CCN12 1395729 QOWROVWPEFYPIP-CYBMUJFWSA-N 224.263 2.047 0 40 BEAB C[C@H]1C[C@H](c2ccccc2)C(=O)CN1C 1577593 YFDVANILCDHZCK-CMPLNLGQSA-N 203.285 2.063 0 40 BEAB CCC(C)(C)CNS(=O)(=O)c1ccccc1 1684779 XXYQRCQCVXCDBS-UHFFFAOYSA-N 241.356 2.401 0 40 BEAB CCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CC 1684781 AKXRYWQJYQZENW-NXEZZACHSA-N 228.288 2.204 0 40 BEAB C[C@@H]1CC[C@@H](n2cnc3c(Cl)ncnc32)O1 1694518 QPUVEEMQGWMVIY-RQJHMYQMSA-N 238.678 2.177 0 40 BEAB O=C(Nc1ccccc1)Nc1cnsn1 1841938 PIHNNIBRDHZRCI-UHFFFAOYSA-N 220.257 2.182 0 40 BEAB COc1ccc([C@H]2C3CCN2CC3)cc1 2027830 QLRLZEWDPOYUOZ-ZDUSSCGKSA-N 203.285 2.462 0 40 BEAB N[C@H](C(=O)O)c1cc(Cl)ccc1Cl 3676798 GIXVDSMZGIUWPA-ZETCQYMHSA-N 220.055 2.078 0 40 BEAB C[n+]1cccc2c(Br)ccc(O)c21 4480651 GAACBYFZEAMRHM-UHFFFAOYSA-O 239.092 2.132 0 40 BEAB C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)Nc1ccccc1 5699806 MTMNVCRGENNVIW-JBLDHEPKSA-N 247.294 2.213 0 40 BEAB COc1cc(CCC(=O)O)ccc1OC(C)C 8019416 RLAQRGMUUSGHQC-UHFFFAOYSA-N 238.283 2.500 0 40 BEAB biogenic O=C(O)CCCOc1ccc2c(c1)CCC2 11798427 MQCWTCZQSLOSNO-UHFFFAOYSA-N 220.268 2.419 0 40 BEAB in-vitro O[C@@H]1[C@H]2CCC[C@@H]1[C@]1(O)CCCC[C@@H]1C2 13116325 LGLZRUQGFUJOOH-OFTGVCEQSA-N 210.317 2.089 0 40 BEAB Fc1ccc(CN2CCCNCC2)c(Cl)c1 19389549 URRLTOUJADEJES-UHFFFAOYSA-N 242.725 2.274 0 40 BEAB Cc1cccc(-n2cc(C(=O)O)c(=O)cc2C)c1 20219178 GXSVJHDXYPOFSD-UHFFFAOYSA-N 243.262 2.153 0 40 BEAB O[C@@H]1CCN(Cc2csc3ccccc23)C1 20863690 WJZCBQZNEKUHDI-LLVKDONJSA-N 233.336 2.468 0 40 BEAB O=C(Nc1ncccc1O)[C@H]1CC=CCC1 22262961 UTBLDJJIUZEMHS-VIFPVBQESA-N 218.256 2.082 0 40 BEAB c1ccc(OCCCCN2CCOCC2)cc1 22782075 QOKZEUSWIBCSRV-UHFFFAOYSA-N 235.327 2.178 0 40 BEAB NC(=O)[C@H](NCc1cccs1)c1ccccc1 26219055 CLNALQRJQUMKJP-GFCCVEGCSA-N 246.335 2.064 0 40 BEAB COC(=O)c1cc2cc(OC)ccc2o1 34407963 IIYBASHGWDCRPV-UHFFFAOYSA-N 206.197 2.228 0 40 BEAB CCOP(=O)(OCC)[C@@H](C(=O)O)C(C)C 34581889 NCANBIDOQIQFRJ-MRVPVSSYSA-N 238.220 2.362 0 40 BEAB Cc1occc1C(=O)N[C@H](C)c1cnn(C)c1C 36763493 JTYFZSOOIAWAPD-MRVPVSSYSA-N 247.298 2.121 0 40 BEAB Cn1cc(C(=O)O)c(-c2c(F)cccc2F)n1 36894492 ZBMLAYCYHHXQHL-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB Cc1n[nH]cc1CN[C@@H](C)CCc1ccco1 36901638 CJAYAHMDXMLYBE-JTQLQIEISA-N 233.315 2.422 0 40 BEAB O=C(O)c1ccc2c(c1)CCCN2C(=O)C1CC1 37322823 NGWQTDIFQQFVNB-UHFFFAOYSA-N 245.278 2.074 0 40 BEAB c1ccc2c(NC[C@@H]3CCOC3)ncnc2c1 37988180 REAXYJADKQFNFB-JTQLQIEISA-N 229.283 2.078 0 40 BEAB O=C(Cc1cccc(F)c1)NCC(F)(F)F 42236912 HEOJXOWHIJTNLW-UHFFFAOYSA-N 235.180 2.047 0 40 BEAB COc1ccc([C@H](O)C(F)(F)F)cc1OC 42268257 QJIGHVHBCKDJTB-VIFPVBQESA-N 236.189 2.300 0 40 BEAB Cc1ccsc1C(=O)N1C[C@H](C)OC[C@@H]1C 45445914 MZHBLKBTMIASOU-UWVGGRQHSA-N 239.340 2.306 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)o1 48333409 LLQZHLAGUJOFJQ-JTQLQIEISA-N 230.267 2.474 0 40 BEAB CC1(c2nc(-c3cccnc3)no2)CCOCC1 69844244 MDVUQUNJKNXOJB-UHFFFAOYSA-N 245.282 2.200 0 40 BEAB CC[C@@H](COC)NCc1ccccc1F 70623689 RSDRGOKHZQKOST-NSHDSACASA-N 211.280 2.340 0 40 BEAB Clc1ccc2c(c1)[C@@H]1CNCC[C@@H]1N2 71484539 CTRPRBJZXMYEJI-ONGXEEELSA-N 208.692 2.211 0 40 BEAB in-vitro CCCOc1ccc(-c2cc(N)[nH]n2)cc1 75494983 MSMQQMXJFKGUFH-UHFFFAOYSA-N 217.272 2.448 0 40 BEAB C[C@@H]1C[C@@H](CCN)CN1Cc1ccccc1 83254965 MNHIPMWKEKKGBU-TZMCWYRMSA-N 218.344 2.246 0 40 BEAB in-vitro CCC[C@@H]1CCCN(Cc2nccc(N)n2)CC1 84740791 SVDRGPFUDLTWOG-GFCCVEGCSA-N 248.374 2.461 0 40 BEAB CC[C@H](COC)N[C@@H]1CC[C@H](SC)C1 95968648 NCWLJXRBGXTWGS-MXWKQRLJSA-N 217.378 2.285 0 40 BEAB c1ccc(-c2nc([C@H]3COCCN3)cs2)cc1 96218005 POWSRGMOUDDVFR-LLVKDONJSA-N 246.335 2.471 0 40 BEAB Cc1ccc(-c2nc(C(N)=O)c(Cl)o2)cc1 96346276 ZYOSTRBFMZHOPN-UHFFFAOYSA-N 236.658 2.402 0 40 BEAB CSCCOC(=O)c1cc(C(C)(C)C)n[nH]1 96443035 WCUFMJZDRCOVCB-UHFFFAOYSA-N 242.344 2.227 0 40 BEAB COC1(CNC(=O)Nc2cc(C)ccn2)CCC1 97107552 ILYMKFSVBQJCFH-UHFFFAOYSA-N 249.314 2.081 0 40 BEAB CC(C)C(=O)Nc1ccccc1C[S@@](C)=O 97377145 JMHRVSCYZUMDAQ-INIZCTEOSA-N 239.340 2.160 0 40 BEAB CCOCC1CCN(c2nc(C)cnc2C)CC1 195563836 GVLPKVAWRQHHQT-UHFFFAOYSA-N 249.358 2.346 0 40 BEAB O=C(O)c1ccc(Cc2cccc(F)c2)[nH]1 216589513 QUGZZIKZYXMLRJ-UHFFFAOYSA-N 219.215 2.443 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)[C@H](COC=O)C1=O 245239027 DPTQSWAQNRRPEA-VWYCJHECSA-N 212.289 2.047 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@@H]3C2)ncn1 301587040 BOLMYUQMTZWCOB-GHMZBOCLSA-N 203.289 2.021 0 40 BEAB O=C1Nc2cccc(Cl)c2C12CCOCC2 521396043 MVWGBVCIEAWDAB-UHFFFAOYSA-N 237.686 2.340 0 40 BEAB C[C@H]1CN(CC2CC(C)(C)C2)CCC1=O 528460801 RCYYTURFHROIKV-JTQLQIEISA-N 209.333 2.334 0 40 BEAB C[C@@H](Oc1ncnc2c1CCC2)C1CC1 585652820 XENPREPNALTYSC-MRVPVSSYSA-N 204.273 2.143 0 40 BEAB Cc1cc(F)c(F)cc1-c1ncn(C)n1 2362801298 BWSSHXDIZLUINN-UHFFFAOYSA-N 209.199 2.069 0 40 BEAB Nc1onc2cc(Br)c(F)cc12 2362803757 HOHGSPXKDKJKSY-UHFFFAOYSA-N 231.024 2.312 0 40 BEAB CC[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 31761 AWXFSVXURCACKL-VIFPVBQESA-N 235.283 2.078 0 40 BEAB COC(=O)CC1CC(C)(C)NC(C)(C)C1 103960 FKYZKBHRIGQHLN-UHFFFAOYSA-N 213.321 2.106 0 40 BEAB NC(=O)C[C@@H](Cc1ccccc1)c1ccco1 489823 KXCPZNDCHCRVAZ-GFCCVEGCSA-N 229.279 2.481 0 40 BEAB biogenic CCCC(=O)Nc1ccc2c(c1)ncn2C 577536 ZNZQOIPZUCOGTR-UHFFFAOYSA-N 217.272 2.312 0 40 BEAB CCOC[C@@H]1CO[C@@H](c2ccc(OC)cc2)O1 1676072 TWGSRLWWRLNYSH-CHWSQXEVSA-N 238.283 2.146 0 40 BEAB CN(C)CCCN1C[C@@H]2CCCC[C@H]2C1 1676229 KPIFYCALUBLAEA-STQMWFEESA-N 210.365 2.060 0 40 BEAB CCCCSc1nsc(NC(C)=O)n1 2189856 GHDIULBTJSSWME-UHFFFAOYSA-N 231.346 2.389 0 40 BEAB Cc1cnc(NC(=O)c2ccccn2)s1 3347009 FAVXGFTXPKPRPJ-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB O=[S@@](NCc1ccccc1)c1ccccc1 4958251 PJPAKLNHDAYPMC-INIZCTEOSA-N 231.320 2.499 0 40 BEAB COC(=O)C[C@H]1C[C@@H](C)[C@@H](OC(C)=O)C1(C)C 4974244 IPUCQFXOIXVTGS-HLUHBDAQSA-N 242.315 2.163 0 40 BEAB CC[C@@H]1Cc2cc(CC(=O)O)ccc2O1 5651200 MYQXHLQMZLTSDB-SNVBAGLBSA-N 206.241 2.027 0 40 BEAB in-man CCCNC(=O)Nc1cccc(C(C)=O)c1 5951921 RQVSMDACQWJYIB-UHFFFAOYSA-N 220.272 2.421 0 40 BEAB Cn1cc(C(=O)Nc2cccc(Cl)c2)cn1 7071684 JLDGLUGAIAOHFG-UHFFFAOYSA-N 235.674 2.326 0 40 BEAB OCc1cc(Br)cc(Cl)c1O 8727684 ZNQQDKRYEOYOEK-UHFFFAOYSA-N 237.480 2.300 0 40 BEAB CC(=O)Nc1cccc(C(=O)NC2CCCC2)c1 8938980 BJQKZKROLSGQQR-UHFFFAOYSA-N 246.310 2.317 0 40 BEAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)C 12913975 SRXIPKPJWCBWKX-SNVBAGLBSA-N 233.311 2.031 0 40 BEAB Cc1ccc(NC(=O)N[C@@H](C)CO)cc1Cl 12977865 MRULZNDXFZPVKK-QMMMGPOBSA-N 242.706 2.151 0 40 BEAB CCC(CC)NC(=O)c1ccc2[nH]cnc2c1 13479321 CKBQIGHTRVEAAC-UHFFFAOYSA-N 231.299 2.481 0 40 BEAB CCCCNC1CCC2(CC1)OCCO2 19907122 ZQONGMAZWYDWSL-UHFFFAOYSA-N 213.321 2.062 0 40 BEAB COC(=O)c1ccccc1OCC(F)(F)F 20348972 GRNHMSANGQEPRV-UHFFFAOYSA-N 234.173 2.414 0 40 BEAB CC(C)N[C@H]1CCN(Cc2ccccc2)C1 26514592 ZELZJSMTYJIMIM-AWEZNQCLSA-N 218.344 2.259 0 40 BEAB Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n1 27915728 MAOUXMDDMPXMNQ-RYUDHWBXSA-N 241.294 2.162 0 40 BEAB CCc1[nH]c(-c2ccccc2)nc1C(=O)O 35320739 YCDMTIOUKDGVLV-UHFFFAOYSA-N 216.240 2.337 0 40 BEAB in-vitro CCOC[C@H]1CO[C@H](/C=C/c2ccccc2)O1 38202703 SNOONPGSCTXEMP-CFYKVZDHSA-N 234.295 2.478 0 40 BEAB COc1ccc(OC(F)(F)F)cc1N 38529721 MKAPTOAKEPIGOA-UHFFFAOYSA-N 207.151 2.176 0 40 BEAB CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1 39975615 MENJPNFMXZSQHP-AWEZNQCLSA-N 246.354 2.209 0 40 BEAB O=Cc1nc2ccc(Br)cc2[nH]1 40448820 YILYMJBPLFCXEB-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro CN(Cc1ccccc1F)C[C@H]1CCCO1 48343687 CYRBDJUKNPATEO-GFCCVEGCSA-N 223.291 2.437 0 40 BEAB CCc1ccc(NCCc2n[nH]c(C)n2)cc1 62719395 RGZZXTRLPOPYPN-UHFFFAOYSA-N 230.315 2.330 0 40 BEAB CCCN1CCC[C@H]1c1cccnc1N 72212420 IUUKMKSRWHYBGQ-NSHDSACASA-N 205.305 2.211 0 40 BEAB CCOc1ccc2ncc(CN)cc2c1 72226733 MOBUGRSAYCUBQC-UHFFFAOYSA-N 202.257 2.092 0 40 BEAB CCCCn1nnc(-c2cccc(OC)c2)n1 73782313 MOKGELFEXHLJSW-UHFFFAOYSA-N 232.287 2.149 0 40 BEAB Cc1cc(N)c(F)c(Br)c1 75915342 KNPUHWXDXJQPOD-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB Cc1cc(CN(CCCO)c2ccccc2)on1 85901369 RMOHTIWQGIXCOQ-UHFFFAOYSA-N 246.310 2.372 0 40 BEAB Cc1ccc(CN(C)c2nnc(C)s2)o1 89656005 NNNNIAOFMRYUAE-UHFFFAOYSA-N 223.301 2.384 0 40 BEAB Cc1c(Br)cccc1S(C)(=O)=O 96962241 FOTWJWSTPVURRL-UHFFFAOYSA-N 249.129 2.161 0 40 BEAB CO[C@H](C)CC(=O)Nc1ccc(O)c(Cl)c1 97060367 LZTJSXVLHAHOQC-SSDOTTSWSA-N 243.690 2.409 0 40 BEAB C/C(=C/c1ccccc1)CN1CC[C@@H](O)C1 97230520 FNADMRYQKHMPLM-FWLQQBITSA-N 217.312 2.157 0 40 BEAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)C(F)(F)F 100953460 FVDCYOGKIQCTKH-BWZBUEFSSA-N 221.222 2.101 0 40 BEAB COc1ccccc1-n1nc2c(c1O)CCCC2 102003842 PQRNYXBOLNYMNK-UHFFFAOYSA-N 244.294 2.465 0 40 BEAB Nc1cnccc1C(=O)c1cccc(F)c1 116749782 IPIQJEHIONDWMV-UHFFFAOYSA-N 216.215 2.034 0 40 BEAB CC(C)c1ccc2c(c1)c(=O)ccn2CC(=O)O 214727831 WYPUSRMJSWRYOT-UHFFFAOYSA-N 245.278 2.210 0 40 BEAB Cc1ccc(N2CCN[C@H]3CCC[C@@H]32)c(F)c1 225717773 WCLVXNUMFSIOLP-JSGCOSHPSA-N 234.318 2.465 0 40 BEAB C[C@H]1C[C@@H]2[C@@H](CN)C[C@H](C(F)(F)F)C[C@H]2O1 225761851 FWJZILYJODZJNY-SQXHDICFSA-N 237.265 2.327 0 40 BEAB Nc1ccc(Br)c(F)c1S 238574408 ITACZTMTLXGTQA-UHFFFAOYSA-N 222.082 2.459 0 40 BEAB Cc1c[nH]nc1CN1CC(C)(C)C[C@H]1C 335264237 YQPPSCKHOHNNEK-SNVBAGLBSA-N 207.321 2.339 0 40 BEAB Cc1cc(Nc2cc(C3CC3)ncn2)n[nH]1 825106312 FVBYXWDTNBNHRE-UHFFFAOYSA-N 215.260 2.129 0 40 BEAB O=C(Nc1ccccc1CO)c1ccccc1 1687167 MVWSJVBIHYZISY-UHFFFAOYSA-N 227.263 2.431 0 40 BEAB biogenic O[C@@H](c1ccccc1)C1(O)CCCCC1 1688730 IHBQQMPFWYZRPM-LBPRGKRZSA-N 206.285 2.415 0 40 BEAB O=C(O)/C=C/c1cc(Br)ccc1O 2524640 UMKKBQOEMLWVAQ-DAFODLJHSA-N 243.056 2.253 0 40 BEAB CNCC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2 2834526 QUKHPESKBXBATR-KCXRBIIJSA-N 221.344 2.381 0 40 BEAB CCOC(=O)CCNCc1ccc(Cl)cc1 3028177 AOPIPZNDESBQRI-UHFFFAOYSA-N 241.718 2.383 0 40 BEAB CCOc1nc(Cl)nc2[nH]c(Cl)nc12 4430282 CREJETOQUHDSGI-UHFFFAOYSA-N 233.058 2.058 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccco1 4454576 BJAKPGOJIDRMHT-IVZWLZJFSA-N 205.257 2.198 0 40 BEAB CSC1=N[C@H](c2ccc(F)cc2)C=NN1 4570719 WDKHUNDESHUCDW-VIFPVBQESA-N 223.276 2.175 0 40 BEAB O=C(/C=C/c1ccccc1F)NC1CC1 4769711 COHDKXPUJOQBDG-VMPITWQZSA-N 205.232 2.118 0 40 BEAB CC(=N)C1=C(O)C(=O)N(C)[C@H]1c1ccccc1 6024801 LVAOPHKPJUBHPA-NSHDSACASA-N 230.267 2.051 0 40 BEAB biogenic Cc1cc(C)cc(O[C@H](C)C(=O)N(C)C)c1 8051255 UNVOSJQEWKMKOK-LLVKDONJSA-N 221.300 2.159 0 40 BEAB COc1ccc(C(=O)Nc2ncc(C)s2)cn1 10626705 TVVFBMOYYZGHCG-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB Cc1ccc(C(=O)/N=c2/ccccn2C)cc1C 13017694 OZWYAAQAQUQVFW-PEZBUJJGSA-N 240.306 2.383 0 40 BEAB O=c1cc(SCc2ccccc2)nc[nH]1 18202299 AJSVLFSNTJSZHB-UHFFFAOYSA-N 218.281 2.062 0 40 BEAB Cc1ccc(NC(=O)C2CC2)c(C(=O)O)c1 19474717 DEVSZENVCXUDDE-UHFFFAOYSA-N 219.240 2.042 0 40 BEAB Cc1cc(NCc2ccccc2)nn1C 20350319 SQENLXNMTQXXRB-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB CCN(CC(=O)O)Cc1c(F)cccc1Cl 32102294 PWEKLSDRKXKALK-UHFFFAOYSA-N 245.681 2.386 0 40 BEAB Nc1ccc(F)c(C(=O)Nc2cccnc2)c1 35651250 LZMQJVJIWKPPAH-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB Cc1ccccc1[C@@](C)(C(=O)O)N1CCCC1 37359916 PKMJIMRMMAJLAM-AWEZNQCLSA-N 233.311 2.391 0 40 BEAB COc1cc(OC)c2cc(C=O)cnc2c1 38342028 REMMPEQBRHIIEE-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB in-vitro O=C(NC[C@@H]1CCCCN1)OCc1ccccc1 39951989 BHVZGRBXEXJUCP-ZDUSSCGKSA-N 248.326 2.055 0 40 BEAB COC(=O)Cc1nc(C(C)(C)C)cs1 41062448 SWLYHOWGTOXBNL-UHFFFAOYSA-N 213.302 2.156 0 40 BEAB in-vitro COc1cccc([C@H](CO)N2CCCCC2)c1 41265845 HZKUDPSCWJQPEC-AWEZNQCLSA-N 235.327 2.215 0 40 BEAB C[C@@H]1CCCCN1CC[C@@H]1CCCNC1 42783355 ZMUWLWCDNLMCJL-OLZOCXBDSA-N 210.365 2.251 0 40 BEAB CCc1cccc(Nc2nc(C)cc(=O)[nH]2)c1 44845853 WXSOUODBBYHMFN-UHFFFAOYSA-N 229.283 2.384 0 40 BEAB CCN(c1cccc(C)c1)S(=O)(=O)CC 45929197 WLYAXHVTBLENRT-UHFFFAOYSA-N 227.329 2.171 0 40 BEAB CCc1nnsc1C(=O)N1CCCCCC1 52928954 NRHBTIYMOIVZNW-UHFFFAOYSA-N 239.344 2.117 0 40 BEAB Cc1ccc(N2CCCC2)c(C(=O)O)c1 52981656 RZFSNMBESKENTH-UHFFFAOYSA-N 205.257 2.293 0 40 BEAB in-vitro CC(=O)OCc1cc(=O)oc2cc(C)cc(C)c12 57312226 IRLRUVSYYHJZRL-UHFFFAOYSA-N 246.262 2.473 0 40 BEAB CNC(=O)CS[C@@H](C)c1ccccc1F 59831699 UMZMOJQNAKSEOX-QMMMGPOBSA-N 227.304 2.366 0 40 BEAB CC(=O)N1CCC[C@@H](Oc2ccccc2)C1 62194502 HPWAQLIGJMUBKK-CYBMUJFWSA-N 219.284 2.076 0 40 BEAB C[C@H]1CO[C@H](C)CN1C(=O)CC1CCCC1 65604348 NEQDQLFXXVXBEL-WDEREUQCSA-N 225.332 2.203 0 40 BEAB CN(C(=O)c1cccc(N)c1)c1ccc(O)cc1 66442626 GWCMSOCYBZTNOP-UHFFFAOYSA-N 242.278 2.251 0 40 BEAB Cc1ccc(C(=O)NCCCCC(=O)O)s1 70191352 YZSAJVAHMHUHIH-UHFFFAOYSA-N 241.312 2.041 0 40 BEAB Cc1cccc2ccc(S(=O)(=O)O)cc12 71256895 HMFSQLOMPHLGEJ-UHFFFAOYSA-N 222.265 2.395 0 40 BEAB CS[C@H]1CCC[C@@H]1N(C)C(=O)NC1CC1 76092166 KHIOEEVGRLXWQS-UWVGGRQHSA-N 228.361 2.074 0 40 BEAB CC1CC(CN)([C@H](O)c2ccccc2)C1 85396228 HLZCBYZEUIZRQS-YXMLORGKSA-N 205.301 2.095 0 40 BEAB CN1Cc2cccc(Br)c2NC1=O 91368630 KMTIAZLXWKZPGW-UHFFFAOYSA-N 241.088 2.426 0 40 BEAB Brc1ccc(N2CCC2)nc1 95218308 LBSNUAQAYRFPQA-UHFFFAOYSA-N 213.078 2.054 0 40 BEAB in-vitro CCCCc1nc(Cl)cc(C(=O)OC)n1 96524161 YOQFGRJMNMFHRB-UHFFFAOYSA-N 228.679 2.259 0 40 BEAB CC1(C)C[C@H](NC(=O)c2ccncc2)C(C)(C)O1 97046820 KHKKWQOFTZWGBE-NSHDSACASA-N 248.326 2.158 0 40 BEAB C[C@H](CN)Cc1c[nH]c2ccc(F)cc12 97442061 NLRRJAHVVQTEBE-QMMMGPOBSA-N 206.264 2.444 0 40 BEAB O=C(CC(=O)C(F)(F)F)Nc1ccccc1F 100645385 VJIFIEHCVFMGKY-UHFFFAOYSA-N 249.163 2.286 0 40 BEAB CCCCNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 107158853 NRIZQQUHYQQDSL-NAKRPEOUSA-N 222.332 2.130 0 40 BEAB CSc1ccccc1C(=O)COC(C)=O 146113932 JCWZRCFSFJLLSF-UHFFFAOYSA-N 224.281 2.154 0 40 BEAB CC(C)N1C(=O)COc2ccc(Cl)cc21 147367360 OLJKXYDAQCTUIT-UHFFFAOYSA-N 225.675 2.474 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCO)C1 149647336 MCKPDOKMSMTHGK-ZJUUUORDSA-N 229.320 2.062 0 40 BEAB C[C@H](NN)c1ccc(F)c(C(F)(F)F)c1 161799385 VFQIAWQBECCFLJ-YFKPBYRVSA-N 222.185 2.369 0 40 BEAB Cc1cc2n[nH]c(Cl)c2cc1C(=O)O 216439849 HSURBZCNIOGHSD-UHFFFAOYSA-N 210.620 2.223 0 40 BEAB CCCO[C@H](Cc1ccccc1OC)C(=O)O 225098176 DHNYSOLTPVONNT-GFCCVEGCSA-N 238.283 2.118 0 40 BEAB CO[C@H]1CCN(Cc2sccc2C)C1 238900897 RMAPEKAIMAKECD-JTQLQIEISA-N 211.330 2.277 0 40 BEAB CC(C)[C@@H]1CC[C@H](C)[C@H](COC=O)C1=O 245239026 DPTQSWAQNRRPEA-DCAQKATOSA-N 212.289 2.047 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccccc1F 309502597 ILDRYBHFIDXUJH-UHFFFAOYSA-N 224.231 2.350 0 40 BEAB CCCCC(=O)N[C@H]1CSC1(C)C 336660421 UOFODQXGXXZUKV-QMMMGPOBSA-N 201.335 2.187 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1cc(F)ccc1F 575361792 IDCGLTKTEGVGCT-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB FC(F)(F)COc1nnc(C2CC2)s1 585650869 GVFNDZODTUSFBY-UHFFFAOYSA-N 224.207 2.357 0 40 BEAB Cn1c(OC2CCCC2)nc2cccnc21 585655120 SLJXDHGIAJVBAH-UHFFFAOYSA-N 217.272 2.290 0 40 BEAB Nc1c(C2CC2)cnn1-c1cccc(F)c1 642882850 DPWNCCASSDOCCD-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB O=C(O)Cc1nc(Cl)nc2cccc(F)c12 888084674 YVGRTTYONPXLLT-UHFFFAOYSA-N 240.621 2.049 0 40 BEAB OCn1nc(-c2ccc(Cl)cc2)oc1=S 384320 UURMKCQZSJPBPN-UHFFFAOYSA-N 242.687 2.476 0 40 BEAB Cc1cc(C=O)c(C)n1C[C@H]1CCCO1 807207 CUEZTQJBZXOTCJ-GFCCVEGCSA-N 207.273 2.096 0 40 BEAB in-vitro OCCCN[C@@H](c1ccccc1)c1ccncc1 2382734 CWVFBNDARBEEFR-HNNXBMFYSA-N 242.322 2.143 0 40 BEAB CCOC(=O)c1ccc(C(=O)CC)cc1 2580259 MOQVUOSKSFFWLM-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB c1ccc(CCNC2=NCCCS2)cc1 3245998 YCRNQRBHURSBNE-UHFFFAOYSA-N 220.341 2.312 0 40 BEAB in-vitro CC(C)CNC(=O)CCC(=O)c1cccs1 3338759 BDVGLDNCSQFQOG-UHFFFAOYSA-N 239.340 2.483 0 40 BEAB N[C@](Cc1ccccc1)(C(=O)O)c1ccccc1 3677091 YMCRTUKBQGPJNL-HNNXBMFYSA-N 241.290 2.168 0 40 BEAB C[C@@H]1C[C@H](OC(=O)[C@@H](C)O)CC(C)(C)C1 4212457 SRJOJNGMYPRTOL-BBBLOLIVSA-N 214.305 2.125 0 40 BEAB in-man CC[C@@H](C)Sc1ncnc2nc[nH]c12 4429601 YLMWMBWJGSIKKF-ZCFIWIBFSA-N 208.290 2.244 0 40 BEAB CCN1C(=O)c2ccc(CN)c3cccc1c23 4698637 WDLVNVHVEZYIFY-UHFFFAOYSA-N 226.279 2.279 0 40 BEAB CCO[P@@](=O)(O)OCc1ccccc1 5432276 JIYCJWDHHSPMDM-UHFFFAOYSA-N 216.173 2.340 0 40 BEAB CCCNCc1cc(OC)c(OC)c(OC)c1 7262332 ZNVLWPUGBQXVNJ-UHFFFAOYSA-N 239.315 2.212 0 40 BEAB CON(C)c1ncnc2c1oc1ccccc12 9544846 CXQFXQKLFZKQEY-UHFFFAOYSA-N 229.239 2.374 0 40 BEAB CC(C)n1cc2c(C(F)F)cc(=O)[nH]c2n1 12397833 SZTHGOFQCFINLT-UHFFFAOYSA-N 227.214 2.243 0 40 BEAB C[C@H](O)c1ccc(I)cc1 12506402 KWUDBZIJCVKUHM-LURJTMIESA-N 248.063 2.345 0 40 BEAB in-vitro Cc1nccc(-c2ccc(-n3cncn3)cc2)n1 12955627 YUCZDTFMDBVCRD-UHFFFAOYSA-N 237.266 2.033 0 40 BEAB CSc1nc(NC(=O)Nc2ccccc2)n[nH]1 16248673 VFOFOVIDIIOQSW-UHFFFAOYSA-N 249.299 2.171 0 40 BEAB O=c1[nH]c(=S)[nH]cc1-c1ccccc1 17111111 KKWYFXCDFFPFIF-UHFFFAOYSA-N 204.254 2.099 0 40 BEAB CN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1 21768771 IMYATTGQEWEAKO-UHFFFAOYSA-N 247.323 2.237 0 40 BEAB CCOC(=O)CC(=O)c1ccc(C)s1 26513991 GJZZCAURPLNHGC-UHFFFAOYSA-N 212.270 2.192 0 40 BEAB COc1ccc(O)c(C(=O)N2CCCC[C@@H]2C)c1 32903741 OEDYGYSGFARSJF-JTQLQIEISA-N 249.310 2.415 0 40 BEAB CNCCCc1cc(-c2cccc(F)c2)[nH]n1 36379697 YDKKQNKFKDNSNF-UHFFFAOYSA-N 233.290 2.368 0 40 BEAB in-vitro COc1ccc2cc([C@@](C)(O)C(=O)O)ccc2c1 38255613 TZSHABFTBBOGRG-CQSZACIVSA-N 246.262 2.141 0 40 BEAB CC(=O)Nc1nc2ccc(C)c(N)c2s1 39320483 PDQQTSKZBLIQRT-UHFFFAOYSA-N 221.285 2.145 0 40 BEAB Cc1ccccc1CN1CCO[C@@H](C)C1 40479443 JOYPSGXDSFWWAH-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB CCCn1nccc1NC(=O)c1c(C)noc1C 40516387 RPAQDCRBTPOZAG-UHFFFAOYSA-N 248.286 2.150 0 40 BEAB OCCCN(Cc1ccccc1)C1CC1 43643341 PMYUIMPWAQJUNC-UHFFFAOYSA-N 205.301 2.033 0 40 BEAB CCC(CC)NC(=O)Nc1cccnc1 44889802 AVWZCVALHDIHNF-UHFFFAOYSA-N 207.277 2.392 0 40 BEAB CN(Cc1cccnc1)C(=O)NCC1CCCC1 49069579 PVEKBYUPXUSMKA-UHFFFAOYSA-N 247.342 2.413 0 40 BEAB CCNCc1cc(-c2cccc(F)c2)[nH]n1 50479015 DWWZEFCHQOSHPN-UHFFFAOYSA-N 219.263 2.325 0 40 BEAB Fc1cc(Br)cc2c1CCNC2 52095218 IBMNHHZOXMKENF-UHFFFAOYSA-N 230.080 2.234 0 40 BEAB in-vitro CCc1noc(CN2CCCCCCC2)n1 58283216 NMEBSCCIUYDJMN-UHFFFAOYSA-N 223.320 2.398 0 40 BEAB Cc1cc(F)cc2c(OCC(=O)O)ccnc12 64874779 YNBDDSDVQUVDNJ-UHFFFAOYSA-N 235.214 2.146 0 40 BEAB Clc1nc(-c2ccc(Br)o2)n[nH]1 64875224 MOHVDYBIINNQRE-UHFFFAOYSA-N 248.467 2.481 0 40 BEAB CNC1CCC(NC(=O)OC(C)(C)C)CC1 67794664 TUUNNJSATKVNGO-UHFFFAOYSA-N 228.336 2.042 0 40 BEAB O=Cc1c(Cl)nc2cc(Cl)ccn12 82694875 OEXDRUYMUYDKQR-UHFFFAOYSA-N 215.039 2.454 0 40 BEAB in-vitro Cc1[nH]c(C)c(C=O)c1Br 83283927 BXEHDSOTEZIZEJ-UHFFFAOYSA-N 202.051 2.207 0 40 BEAB Cc1cc(N)n2nc(-c3ccc(F)cc3)cc2n1 84549784 NNVDPTYPADYUHP-UHFFFAOYSA-N 242.257 2.426 0 40 BEAB NCC(=O)c1ccc(F)c2ccccc12 85391821 ABDJSZZRAHIDSW-UHFFFAOYSA-N 203.216 2.120 0 40 BEAB c1cncc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 89794019 FROCHSJPEKNJHY-UONOGXRCSA-N 232.327 2.225 0 40 BEAB CC(=O)NC(C)(C)CN(C)Cc1ccccc1 89954576 ITYUGYZPPBBVPB-UHFFFAOYSA-N 234.343 2.033 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCN[C@@H]2C)cc1C 91496245 POKZXIDCWSUYOX-OCCSQVGLSA-N 246.354 2.174 0 40 BEAB N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1 91675895 NFWZARAFTINKJK-QWHCGFSZSA-N 248.326 2.183 0 40 BEAB in-vitro CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@H](C1)N2 100078509 HWPHWBRCRWNTLX-NXEZZACHSA-N 240.347 2.184 0 40 BEAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 100986581 MOABDNRPQYWPMS-UTUOFQBUSA-N 207.317 2.435 0 40 BEAB N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12 101075244 DEDUBZVXFIONOV-SOUVJXGZSA-N 230.355 2.246 0 40 BEAB in-vitro Nc1ccc(SCC(=O)C2CC2)s1 101195989 UWBMCXTXCDYMJJ-UHFFFAOYSA-N 213.327 2.402 0 40 BEAB O=C1[C@@H]2[C@H]([C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]13)[C@H]1C=C[C@H]2C1 103900391 ZLXHZSNEHVHERY-JHZQKFFYSA-N 212.292 2.446 0 40 BEAB C[C@@H]1CCC[C@H](CCn2ncccc2=O)C1 195417874 RZIXIEBXGSTWQJ-VXGBXAGGSA-N 220.316 2.460 0 40 BEAB C[C@H]1CCCN(c2ncccc2C=O)C1 217732723 WARXYNGYHXIZSM-JTQLQIEISA-N 204.273 2.130 0 40 BEAB CCO[C@H](Cc1ccc(C)cc1C)C(=O)O 225026974 ACSSGJSMTNOCRI-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB CC[C@@H](C)CC(=O)Nc1ccsc1C(N)=O 225405550 UPQNAJXRJOULAN-SSDOTTSWSA-N 240.328 2.222 0 40 BEAB CC[C@@H](C)Nc1ccc(N)cc1C(=O)NC1CC1 225454253 IHLDMCBTLYLWSQ-SECBINFHSA-N 247.342 2.371 0 40 BEAB CC(C)OCCCNCc1cnn(C(C)C)c1 226238408 SQRPAQQSVMSLKA-UHFFFAOYSA-N 239.363 2.369 0 40 BEAB Cc1cc(NCc2ccccc2C(=O)O)nn1C 256052332 MXJCGHYENANPFH-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB COc1cccc2cc(CN)c(Cl)nc12 258723234 BEKDOSJZZWCRQJ-UHFFFAOYSA-N 222.675 2.356 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCC[C@H]2N)C1 606301683 WECIFHYVUQJQBW-SNVBAGLBSA-N 240.347 2.125 0 40 BEAB CN(C)c1nc2cc(F)ccc2cc1C=O 685937063 JKNXMHXGBJQXRA-UHFFFAOYSA-N 218.231 2.252 0 40 BEAB Nc1ccc(-c2cnc(N3CCCC3)nc2)cc1 1241541644 CZISDTNJNGUNED-UHFFFAOYSA-N 240.310 2.326 0 40 BEAB Cc1ccc([C@]2(C)NC(=O)CS2)cc1 478087 QYSRSSSHWMIQKT-LLVKDONJSA-N 207.298 2.031 0 40 BEAB Cc1ccc2nc(C)c3c(c2c1)O[C@@H](CO)C3 519433 JYADFPJSAPOQJR-SNVBAGLBSA-N 229.279 2.147 0 40 BEAB biogenic CS(=O)(=O)/C=C/c1cc2ccccc2[nH]1 1572995 PCUPZBFVOPNLLR-VOTSOKGWSA-N 221.281 2.183 0 40 BEAB CCCN(CCC)C(=O)CCOCC 1597849 LYGNXLCYTVHSFP-UHFFFAOYSA-N 201.310 2.062 0 40 BEAB CC(C)Cc1cc(C(=O)NC(C)C)no1 2498093 FANHCJKVODRRPC-UHFFFAOYSA-N 210.277 2.011 0 40 BEAB CCC(=O)Nc1nnc(-c2ccc(F)cc2)o1 4329691 IBPAOTRGZCMKPL-UHFFFAOYSA-N 235.218 2.224 0 40 BEAB Cc1nc2ncnc(SC(C)C)c2[nH]1 4429599 ZERYRPHYDKNXCZ-UHFFFAOYSA-N 208.290 2.162 0 40 BEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OC(C)C 4491444 VVAUQGBBTUEOEI-UKTHLTGXSA-N 247.294 2.115 0 40 BEAB biogenic CCCNc1nnc(-c2cccnc2)s1 4992739 FSNBPNRQMRYMOD-UHFFFAOYSA-N 220.301 2.422 0 40 BEAB CCCNC(=O)CSCc1ccccc1 6310993 GJYFGEQWZCUYJJ-UHFFFAOYSA-N 223.341 2.446 0 40 BEAB CC[C@H](C)[C@H](N)C(=O)N(C)c1ccccc1 11959681 GPNOKMXWKRHIFF-JQWIXIFHSA-N 220.316 2.023 0 40 BEAB CCn1ncc2c(C(=O)OC)cc(C3CC3)nc21 12397174 JWKQSQIQPHBCCG-UHFFFAOYSA-N 245.282 2.115 0 40 BEAB CC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C 19505545 BMSVXURYDSJPDJ-KCJUWKMLSA-N 217.268 2.484 0 40 BEAB O=C(Nc1ccc(F)cc1)n1ccnc1 19691496 UXDLDIRPORKSKZ-UHFFFAOYSA-N 205.192 2.102 0 40 BEAB C1=CCN(Cc2nc3ccccc3[nH]2)CC1 19923896 AJSAHKHRKSGBJI-UHFFFAOYSA-N 213.284 2.325 0 40 BEAB Cc1ccccc1NC(=O)CNC1CCCC1 20037100 GEVNKYZEGXIQQS-UHFFFAOYSA-N 232.327 2.466 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)Cc2ccccc2N)C1 20155700 NWTNMVYWIPVCNY-RYUDHWBXSA-N 246.354 2.316 0 40 BEAB C[C@@H]1CCC[C@@H](Nc2ncnc3c2cnn3C)C1 25571754 DRMYJUKLZOQQMY-NXEZZACHSA-N 245.330 2.354 0 40 BEAB CCOc1ccc(CC2=NCCN2)cc1Cl 26953852 FYQKGGWVSAVSJZ-UHFFFAOYSA-N 238.718 2.283 0 40 BEAB COCCNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 32193287 AVYPWRJOVBGKBG-UIALCFJWSA-N 249.310 2.179 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1N 36379509 LXUOCDHGKNYESJ-UWVGGRQHSA-N 228.336 2.171 0 40 BEAB Cc1noc(CSc2ccc(O)cc2)n1 38079024 ZUIOFSOIJICYBF-UHFFFAOYSA-N 222.269 2.376 0 40 BEAB COc1ccccc1/C=C/NC(=O)C(F)(F)F 38338048 XYSDKVFOIPSJAA-VOTSOKGWSA-N 245.200 2.344 0 40 BEAB C[C@H]1CN[C@H](C)CN1Cc1ccc(F)cc1 38858664 VWFLVEICKAOIRL-MNOVXSKESA-N 222.307 2.008 0 40 BEAB CC[C@H](O)c1c(OC)cc(OC)cc1OC 40246542 LPPDDUCYQXCHPS-VIFPVBQESA-N 226.272 2.156 0 40 BEAB CCOc1cccc2cc(-c3n[nH]c(=O)o3)oc12 40448208 GLSYRGZQVBCXRM-UHFFFAOYSA-N 246.222 2.175 0 40 BEAB O=C(O)CNCc1ccc(-c2ccccc2)o1 41154127 VCHIBFWDWCULJA-UHFFFAOYSA-N 231.251 2.121 0 40 BEAB COc1cccc2cc3c(nc12)NCC3 41195165 MKGFGAGXNOBTAE-UHFFFAOYSA-N 200.241 2.211 0 40 BEAB CC(=O)Nc1ccc2c(c1)CCN2C(=O)C(C)C 41346716 JSUROPAVEAQCQF-UHFFFAOYSA-N 246.310 2.190 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@@H]2CN)c1C 44540937 BAFLPFPYCZQTQH-CYBMUJFWSA-N 246.354 2.257 0 40 BEAB FC(F)(F)[C@@H]1CC[C@H](C(F)(F)F)N1 47845111 FZRPBFXDCLGOOC-ZXZARUISSA-N 207.117 2.232 0 40 BEAB CCc1ccc(-c2cnn(CCCN)c2)cc1 49821462 AXMQKDLWTJKRCT-UHFFFAOYSA-N 229.327 2.461 0 40 BEAB c1cc(CNCC2CCOCC2)cs1 60392881 WZAJEUWTCYMMAZ-UHFFFAOYSA-N 211.330 2.264 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cc(N(C)C)cc(C)n1 72187633 HZHVRRKLXOZQHE-CQSZACIVSA-N 247.342 2.139 0 40 BEAB CCOc1cccc(-c2cnc(CN)o2)c1 72220116 JBZOZAFIHXCZLX-UHFFFAOYSA-N 218.256 2.199 0 40 BEAB Nc1nccc([C@@H]2CCCN2C2CCCC2)n1 72356809 MHNAKIKPBDEVJU-LBPRGKRZSA-N 232.331 2.138 0 40 BEAB CCc1cc(N)cc2nc(C3=CCNCC3)oc12 73642759 ILRYLJWBMIFHBJ-UHFFFAOYSA-N 243.310 2.349 0 40 BEAB CC(=O)N1C[C@@H](C(C)C)Nc2ccccc21 81793842 IPWDUHZCLTVNON-LBPRGKRZSA-N 218.300 2.490 0 40 BEAB O=C(O)[C@@H]1CCC[C@@H]1Nc1ccccc1 83985837 CQPIDJWURGPHPG-MNOVXSKESA-N 205.257 2.352 0 40 BEAB CCCOc1ccc(Cn2cncn2)cc1 92284232 RSHBPDCPISTSJP-UHFFFAOYSA-N 217.272 2.115 0 40 BEAB c1nnc(CNC2CCCCCC2)n1C1CC1 95396771 UIFDLEQBHMJPBU-UHFFFAOYSA-N 234.347 2.425 0 40 BEAB CCOc1ncc(Br)cc1F 95642104 WHSAPVVIPVNVAG-UHFFFAOYSA-N 220.041 2.382 0 40 BEAB CCN(CC)CCS[C@H]1CCO[C@@H]1C 97139662 MBLKRZTUPPYNSH-MNOVXSKESA-N 217.378 2.239 0 40 BEAB OCCc1noc(C2(c3ccccc3)CCC2)n1 97162367 PJVZFWHGRRBPIM-UHFFFAOYSA-N 244.294 2.074 0 40 BEAB CCOC(=O)c1c(C)[nH]sc1=S 100102677 MVTVNNIFOTYHJA-UHFFFAOYSA-N 203.288 2.291 0 40 BEAB CCN(CC)CCN[C@@H]1C[C@H]2CC[C@H]1C2 101616906 LEEFKJRJKNAPOA-RWMBFGLXSA-N 210.365 2.106 0 40 BEAB Nc1csc(N2CCc3ccccc32)n1 103693843 SHURLPLWJIVSLO-UHFFFAOYSA-N 217.297 2.420 0 40 BEAB CN(C)c1ncc(NC(=O)C2CCCCC2)cn1 125038670 ZUPIDOCCCVLZMQ-UHFFFAOYSA-N 248.330 2.061 0 40 BEAB COC(=O)c1ccc(C)n1-c1nccs1 223747454 AUPCDPVKJANOLX-UHFFFAOYSA-N 222.269 2.029 0 40 BEAB Cc1cc(NCCCC(=O)O)c(C)cc1N 223780231 KGGYYNVULIQCRB-UHFFFAOYSA-N 222.288 2.162 0 40 BEAB C[C@H]1CCCN(c2nsc(Cl)n2)C1 225782683 ACYOSYPTRSFXIC-LURJTMIESA-N 217.725 2.428 0 40 BEAB CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1C1CC1 238147990 SIAVYQRAQLDPMD-LLVKDONJSA-N 239.315 2.365 0 40 BEAB CC(=O)c1cnn(-c2cccnc2Cl)c1C 242722888 XYGXWMJCZJHLJV-UHFFFAOYSA-N 235.674 2.432 0 40 BEAB CCOCCCNCc1ccnn1CC(C)C 256052579 NXGOFZWVDJFPRF-UHFFFAOYSA-N 239.363 2.055 0 40 BEAB Nc1cccc2c1N[C@H](c1ccccn1)CO2 1857793655 VXWVJRFSXOYHAO-NSHDSACASA-N 227.267 2.209 0 40 BEAB O=C1N[C@H](c2ccc(O)cc2)Nc2ccccc21 149855 UYBVPYFAXHSIPV-CYBMUJFWSA-N 240.262 2.246 0 40 BEAB biogenic C[C@@H](Cc1ccccc1)NC(=O)c1ccncc1 329715 NABUKNINVWXMID-LBPRGKRZSA-N 240.306 2.443 0 40 BEAB O=C(O)c1cc(Cl)cc2c1NCCC2 1485862 NVNHKJALCFASQL-UHFFFAOYSA-N 211.648 2.396 0 40 BEAB Cc1cc(NC2CCC(C)CC2)n2ncnc2n1 4937567 YCCPDXXVXAXIMG-UHFFFAOYSA-N 245.330 2.423 0 40 BEAB O=C(O)COc1ccc(Oc2ccccn2)cc1 12609363 PRUVYXVNYCDREU-UHFFFAOYSA-N 245.234 2.337 0 40 BEAB Cc1ccnc(NC(=S)NCC(C)C)c1 13837458 XHWVFPYTGPYVEZ-UHFFFAOYSA-N 223.345 2.332 0 40 BEAB CCOc1ccc2nc(NCCN)c(C)cc2c1 13998664 OXLDFASBDOQKLK-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB COc1ccc([C@H](O)c2cccc(N)c2)cc1 14988588 KRCULPGAHLEVKP-AWEZNQCLSA-N 229.279 2.359 0 40 BEAB biogenic Cn1c(CNC[C@@H]2CCCO2)cc2ccccc21 16941678 PHCDCGOCZGADJE-AWEZNQCLSA-N 244.338 2.447 0 40 BEAB CCCn1c(CCCN)nc2ccccc21 19734032 QDLJJUUTWNMMQL-UHFFFAOYSA-N 217.316 2.338 0 40 BEAB c1cncc(CNCCc2cccs2)c1 19948601 HKKKVVDJFQTBGJ-UHFFFAOYSA-N 218.325 2.475 0 40 BEAB Cc1ccc(C(=O)Nc2ccccc2O)cn1 23450563 OYWBFHMMTFMMLM-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB Cc1c([C@H](C)NC(=O)[C@H]2CC=CCC2)cnn1C 25001343 ZRIWVJQQFSTCRO-JQWIXIFHSA-N 247.342 2.262 0 40 BEAB O=C(O)c1cc2c(cc1Cl)OCCCO2 26444396 DFPRVDPWKACGRX-UHFFFAOYSA-N 228.631 2.200 0 40 BEAB Cc1nc2ccc(C(=O)NC(C)C)cc2nc1C 28539746 LKJVWCDBGJCSCL-UHFFFAOYSA-N 243.310 2.385 0 40 BEAB Cn1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cn1 32819933 WKULTAVBWOBWGL-WCQYABFASA-N 247.342 2.215 0 40 BEAB Cc1c(CO)cccc1[C@@H](C)c1cnc[nH]1 34412134 HTQCEFAVROSRIW-SNVBAGLBSA-N 216.284 2.362 0 40 BEAB in-vitro C[C@@H](CNCc1ccncc1)Oc1ccccn1 35287335 QOADGHVCSCRBNU-LBPRGKRZSA-N 243.310 2.034 0 40 BEAB C[C@H](CO)N[C@H](C)c1ccc2c(c1)CCC2 35602276 JCQFBNPXMDXWSC-GHMZBOCLSA-N 219.328 2.207 0 40 BEAB Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 36155278 HAVAPDJAUZXZEX-UHFFFAOYSA-N 240.310 2.326 0 40 BEAB Cc1cc(NC(=O)c2ccccc2F)n(C)n1 37489318 DIGSYXJVNORJBN-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CCCc1ccccc1NC(=O)N[C@H](C)CO 40526923 VJKCQHZJXZGTOZ-SNVBAGLBSA-N 236.315 2.141 0 40 BEAB Cc1c(C(=O)O)c(C(F)(F)F)nn1C(C)C 44831542 LNGHZYKJDCXGBN-UHFFFAOYSA-N 236.193 2.489 0 40 BEAB Cc1cc(=O)[nH]c(Nc2ccc(F)c(C)c2)n1 44845848 KWIIDXGRKJISRX-UHFFFAOYSA-N 233.246 2.269 0 40 BEAB CN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1 44980017 NUOOFAPAKAJCSM-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB CCOC(=O)Nc1ccc(NC(=O)NC)cc1 48487859 YOZPUHRNCMTGCR-UHFFFAOYSA-N 237.259 2.006 0 40 BEAB CCN(Cc1noc(C(C)C)n1)C1CC1 53607476 YFNAEANBQIXJRK-UHFFFAOYSA-N 209.293 2.177 0 40 BEAB COCCSc1nncn1-c1ccccc1C 57864428 HWQZPMDRPILUBK-UHFFFAOYSA-N 249.339 2.314 0 40 BEAB COc1ccc([C@H](CN)OC(C)C)c(OC)c1 62711769 LFDFIYQOEZJMJH-ZDUSSCGKSA-N 239.315 2.129 0 40 BEAB CNc1ncc(CN[C@@H](C)c2ccccc2)cn1 62717433 HKOSUBSHGFVTOQ-NSHDSACASA-N 242.326 2.369 0 40 BEAB Cc1sc(-c2cccnc2)nc1C(=O)O 71478504 RKLKSBRXIGWLAM-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB CC(C)N1CCC[C@@H]1c1ccc(O)nc1 72212255 GZYHPKZQODSIQD-LLVKDONJSA-N 206.289 2.333 0 40 BEAB Cc1ccc(C)c(OC2CCN(CCO)CC2)c1 72309130 YIQKICIJXQUFLT-UHFFFAOYSA-N 249.354 2.139 0 40 BEAB COc1cc2c3c([nH]c2cc1Cl)CCNC3 82607283 MIODAFXUJVFSKM-UHFFFAOYSA-N 236.702 2.476 0 40 BEAB O=C(O)c1cc2c(nc1Cl)CCSC2 83071037 QMLXSZLMLMLQQK-UHFFFAOYSA-N 229.688 2.223 0 40 BEAB N[C@H](CCCc1ccc(Cl)cc1)C(=O)O 84018150 JWFHIBQJYLHPGI-SNVBAGLBSA-N 227.691 2.075 0 40 BEAB CCc1noc(CS[C@H]2CCO[C@H]2C)n1 95974160 QVMDBWSPKSHBER-YUMQZZPRSA-N 228.317 2.043 0 40 BEAB COc1ccsc1C(=O)OCC[C@H](C)OC 96442911 PRQGOWRAQSIHNM-QMMMGPOBSA-N 244.312 2.339 0 40 BEAB CN(C)CC(=O)NC1(c2ccccc2)CCCC1 97101874 IYCLOTZXMXVWKK-UHFFFAOYSA-N 246.354 2.134 0 40 BEAB COc1ccc([C@@H]2C=C(C)Nc3ncnn32)cc1 100730928 BVJUIDZVIIIWNO-LBPRGKRZSA-N 242.282 2.205 0 40 BEAB COc1ccc([C@@H]2C[C@H]3CC[C@H]([C@@H]2O)N3C)cc1 104228491 IZCIXCQYMYMPDS-FAAHXZRKSA-N 247.338 2.006 0 40 BEAB C[C@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](CO)[C@H]21 225761559 VQLQJLNARBICNV-BQHMLIOBSA-N 238.249 2.218 0 40 BEAB Cc1cn(C)nc1NCc1ccc(F)cc1 256053289 QWBOBHYZNUMEKI-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB C[C@]1(C(=O)Nc2cccnc2)CC1(F)F 335561066 IOHZLOWKSCTJMY-SECBINFHSA-N 212.199 2.065 0 40 BEAB CSCCC(=O)c1ccccc1C#N 381643150 PZEQMPNUNJZWKZ-UHFFFAOYSA-N 205.282 2.494 0 40 BEAB CCSc1n[nH]c(COc2ccccc2)n1 409386711 WWDOPXYFWRZYKB-UHFFFAOYSA-N 235.312 2.496 0 40 BEAB NCc1cnn([C@@H]2C[C@@H]2c2ccc(F)cc2)c1 514264585 KOZJAARUXDZAIJ-CHWSQXEVSA-N 231.274 2.210 0 40 BEAB Fc1ccc(F)c(COc2ncccn2)c1 585650927 HJVAEUHZRZZDEV-UHFFFAOYSA-N 222.194 2.334 0 40 BEAB CCOC(=O)Nc1ccc(NC(C)=O)cc1 414543 WOYNTPRHLHOOPU-UHFFFAOYSA-N 222.244 2.213 0 40 BEAB CCc1c(N)nc(N)nc1Nc1ccc(C)cc1 1681576 OYNIFXOVFWRNCM-UHFFFAOYSA-N 243.314 2.255 0 40 BEAB CCS[C@H](O)C(Cl)(Cl)Cl 1705425 ODYGLKJCCFJTDE-VKHMYHEASA-N 209.525 2.428 0 40 BEAB CCN(CC)CCN(C#N)Cc1ccccc1 1708770 KUNDLAKNEOWDDT-UHFFFAOYSA-N 231.343 2.311 0 40 BEAB OCNC(=S)c1c(Cl)cccc1Cl 1727220 XRONASRTKCDKMP-UHFFFAOYSA-N 236.123 2.208 0 40 BEAB CCOc1ccc(-c2cc(C)n(C)[n+]2C)cc1 1852039 BNSOSNKLGOBFKL-UHFFFAOYSA-N 231.319 2.224 0 40 BEAB CCCCCC[C@](C)(CC(N)=O)CC(=O)O 2043256 DNNMIIVSBZVDNQ-GFCCVEGCSA-N 229.320 2.313 0 40 BEAB CCOCCCNCc1cccc(OC)c1 2923945 AHTKOIUQMVSPOY-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB Cc1cc(NN)c(C)cc1Br 3676552 YOJTZMHODNNIIL-UHFFFAOYSA-N 215.094 2.352 0 40 BEAB C/C=C/C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4044613 BYZXGBSVTUJAKJ-MFNRBIAXSA-N 237.343 2.370 0 40 BEAB biogenic CCNC(=S)NC12CC3CC(CC(C3)C1)C2 4838083 NVTAWIMBGGTFBI-UHFFFAOYSA-N 238.400 2.439 0 40 BEAB O=C(O)CN1CCC(Cc2ccccc2)CC1 4943278 HJVANSUYXOOKQA-UHFFFAOYSA-N 233.311 2.026 0 40 BEAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCO1 5768782 QUVWWDSLHJTWPZ-JTQLQIEISA-N 225.675 2.458 0 40 BEAB CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8209128 YTULCQJYNHSARK-UHFFFAOYSA-N 245.307 2.346 0 40 BEAB CCOC(=O)[C@H](CC)n1cc(Cl)c(C)n1 12398487 WFNKWJRRRYFCHD-VIFPVBQESA-N 230.695 2.359 0 40 BEAB ClC1(Cl)C[C@@H]1CSc1ncn[nH]1 17971909 PYPBYLSMSOWIFU-SCSAIBSYSA-N 224.116 2.091 0 40 BEAB Fc1ccc(CCOC[C@@H]2CCCNC2)cc1 19735447 YEKSLRBDUOFOKR-CYBMUJFWSA-N 237.318 2.384 0 40 BEAB CC(C)(C)C(=O)Nc1cccc(CC(=O)O)c1 20226906 KDOVRXYIIKJICN-UHFFFAOYSA-N 235.283 2.298 0 40 BEAB CC(C)NC(=O)c1noc2c1CCCCC2 20549693 FLALNSSPFXAZLU-UHFFFAOYSA-N 222.288 2.082 0 40 BEAB CSCC(=O)N[C@@H]1CCCC[C@@H]1C 33028706 WEJVIVQDRMLGCH-DTWKUNHWSA-N 201.335 2.044 0 40 BEAB CC(C)(C)c1ccc(C(=O)C(=O)O)cc1 34275603 YOQYYFSVDYBQEW-UHFFFAOYSA-N 206.241 2.251 0 40 BEAB in-vitro O=Cc1csc(-c2ccc3c(c2)OCO3)n1 37974116 XZGUSPBBCYKJOX-UHFFFAOYSA-N 233.248 2.351 0 40 BEAB O=C(NCc1c[nH]c2ccccc12)C1CC1 41340930 DXSRDJQTNHTUPE-UHFFFAOYSA-N 214.268 2.194 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1F 45293370 CGUXFWWFPRLSKX-MWLCHTKSSA-N 221.275 2.140 0 40 BEAB COCC(=O)N[C@H](C)c1cc2ccccc2o1 45868396 RVXXGELHNUTCHH-SECBINFHSA-N 233.267 2.256 0 40 BEAB CC[C@@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O 48400488 QXRXWILZKJCKDB-RYUDHWBXSA-N 247.294 2.071 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)NC2CC2)o1 48844579 OUBNSLGWOHBRJA-MRVPVSSYSA-N 208.261 2.111 0 40 BEAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1cnn2C 49548991 WQTZQBMDHOLGQX-MRVPVSSYSA-N 246.270 2.149 0 40 BEAB CC[C@@](C)(O)c1ccc(OC)c(OC)c1 55191837 OLZTVISZESDKTH-GFCCVEGCSA-N 210.273 2.321 0 40 BEAB CC(=O)[C@@H]1C[C@@H](c2ccccc2F)OC1=O 57514564 KGMZWPTZZONMOU-ONGXEEELSA-N 222.215 2.019 0 40 BEAB COc1cccc([C@@H]2C[C@H]2CNC(=O)C2CC2)c1 59906868 FEDYEQBJHVIJKV-JSGCOSHPSA-N 245.322 2.325 0 40 BEAB C[C@H](O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 62713839 NOLYNJCKOXZVCZ-ZWKOPEQDSA-N 205.301 2.237 0 40 BEAB O=C(N1CC[C@H]2CCCC[C@H]2C1)n1ccnc1 65553056 MEIKWCXMZCLBHN-NEPJUHHUSA-N 233.315 2.363 0 40 BEAB Cc1noc([C@@H]2CCCCN2CC(F)(F)F)n1 67350479 IAUANWLQBMLWFH-QMMMGPOBSA-N 249.236 2.467 0 40 BEAB O=c1[nH]c2cc(F)c(Br)cc2o1 71481992 FVCBRNQTYMAPPS-UHFFFAOYSA-N 232.008 2.023 0 40 BEAB in-vitro Cc1cc(C)nc(N2CCC[C@@H]2c2cc[nH]n2)n1 72357274 MLDQTVBCCDCQRV-GFCCVEGCSA-N 243.314 2.158 0 40 BEAB COC(=O)Cc1ccc(OC(F)F)c(F)c1 77020734 ZJYNURGSMOFDQA-UHFFFAOYSA-N 234.173 2.143 0 40 BEAB CCCc1cc(C(=O)O)cc(Br)n1 82308361 WQEKHFFCDTWYML-UHFFFAOYSA-N 244.088 2.495 0 40 BEAB CCC(CC)N(CC(=O)O)CC(C)C 83412010 GCCWBLKOHNRORF-UHFFFAOYSA-N 201.310 2.218 0 40 BEAB O=C(O)C[C@@H]1COc2cc(Cl)ccc21 84773140 UFDNMYNCYATWIB-ZCFIWIBFSA-N 212.632 2.291 0 40 BEAB O=C(O)[C@H]1CCc2sc(-n3cccc3)nc21 96096203 FLLIWODKBVPAGB-ZETCQYMHSA-N 234.280 2.048 0 40 BEAB OCC1([C@@H](O)C2CCCCC2)CCCC1 96527330 POUGVQUCZBZJKY-LBPRGKRZSA-N 212.333 2.480 0 40 BEAB CC(C)n1c([C@@H]2CCCNC2)nc2ccncc21 97673559 PUKXUZLGXHSGOX-LLVKDONJSA-N 244.342 2.479 0 40 BEAB O=C(Nc1ncc(Cl)s1)[C@H]1CCCOC1 98016459 BAEAUCIGGIJJNI-LURJTMIESA-N 246.719 2.162 0 40 BEAB COC(=O)C[C@@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 216481363 WHYSLOGCGQAEHL-RVBZMBCESA-N 224.300 2.191 0 40 BEAB c1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1 218843247 IWLZDWNEKXPOPY-CHWSQXEVSA-N 202.301 2.017 0 40 BEAB CC(C)N1CC[C@@H](N)[C@@H](Cc2ccccc2)C1 242687894 UZKWLRCARZKULO-LSDHHAIUSA-N 232.371 2.287 0 40 BEAB O=C(NC1CC1)c1ccnc(OC2CCCC2)c1 252496456 PIVMTAWQSUQNKP-UHFFFAOYSA-N 246.310 2.295 0 40 BEAB CC[C@H](C)n1nccc1CNc1ccn(C)n1 256051113 HTOVCKIOLFVQMZ-JTQLQIEISA-N 233.319 2.200 0 40 BEAB COc1ccc(C[C@H]2CN(C(C)C)CCO2)cc1 257227351 FOWXUCQHVIJVFE-HNNXBMFYSA-N 249.354 2.347 0 40 BEAB NCc1cnc2c(ccn2CC(F)(F)F)c1 1848351663 POTDBBFJMYLBAK-UHFFFAOYSA-N 229.205 2.057 0 40 BEAB CC(=O)N1C[C@@]23C=C[C@@H](C[C@@H]2CC12CCCC2)O3 170517 QLOISECRUXBCQN-IPYPFGDCSA-N 247.338 2.265 0 40 BEAB biogenic O=C(NC1=NCCS1)c1cccc(Cl)c1 304495 YXSODEZWMWYRAN-UHFFFAOYSA-N 240.715 2.173 0 40 BEAB O=C(O)[C@@](O)(c1ccccc1)c1ccsc1 1734694 NGRIKMVPULGUNF-GFCCVEGCSA-N 234.276 2.069 0 40 BEAB COC(=O)/C=C/c1ccc2c(c1)CCC2 1855732 DMJICDVHTUMQHN-SOFGYWHQSA-N 202.253 2.362 0 40 BEAB Cc1cc(NN)c2c(C)ccc(C)c2n1 2564406 ISBZBGZAPYDDSL-UHFFFAOYSA-N 201.273 2.446 0 40 BEAB in-vitro Cc1ccc(C(=O)O[C@H]2CCCN(C)C2)s1 3258317 ZLYRZPYUKAIUIR-JTQLQIEISA-N 239.340 2.308 0 40 BEAB CCCCOc1ccccc1N1C(=O)C=CC1=O 5016493 WRHWBVZGXFQVGW-UHFFFAOYSA-N 245.278 2.295 0 40 BEAB COCCCNC(=O)Nc1c[nH]c2ccccc12 5299844 WMXFDKIFFXWGHN-UHFFFAOYSA-N 247.298 2.326 0 40 BEAB O=C1N[C@H](O)c2cc(Cl)cc(Cl)c2O1 5665142 APDPAIFRIUBNQF-SSDOTTSWSA-N 234.038 2.086 0 40 BEAB O=C(CC1CCCC1)NCc1ccccn1 8723342 AWHSWAVBDBMXFG-UHFFFAOYSA-N 218.300 2.278 0 40 BEAB Cn1ccnc1SCc1ccc(C(=O)O)o1 11851390 OOYSVVKAMYDYRF-UHFFFAOYSA-N 238.268 2.004 0 40 BEAB in-vitro O=C(CNc1cccc(F)c1)N1CCCCC1 12933492 IOAMMSMITHJJRL-UHFFFAOYSA-N 236.290 2.250 0 40 BEAB COc1ccc(Nc2ncccc2N)cc1 15830922 GAKVHRACPVAOAC-UHFFFAOYSA-N 215.256 2.416 0 40 BEAB Nc1ncnc2c(-c3cccc(Cl)c3)cnn12 20153844 SVQYXRFLVQSTQR-UHFFFAOYSA-N 245.673 2.027 0 40 BEAB CCCCOC(=O)Cc1ccccc1N 20155661 BESPAZRZJKJYNI-UHFFFAOYSA-N 207.273 2.155 0 40 BEAB CC(C)CCC(=O)N[C@@H]1CCCc2c1cnn2C 24988320 VSZTYVKOVWAZEX-GFCCVEGCSA-N 249.358 2.350 0 40 BEAB Cc1cccc(OCc2ncc(C(=O)O)cn2)c1 26505769 PBCBDNULKYPZHO-UHFFFAOYSA-N 244.250 2.062 0 40 BEAB CCCn1nccc1C(=O)NCc1ccccc1 28222535 JIEAHVYBRNIMNX-UHFFFAOYSA-N 243.310 2.223 0 40 BEAB O=C(O)c1ccc2n[nH]c(-c3cccnc3)c2c1 31991962 FQTBPWBFIFCMBF-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB CCNC(=O)c1csc2c1CCCC2 32668071 RLORTICOSMWHKX-UHFFFAOYSA-N 209.314 2.377 0 40 BEAB Cc1cccc(NC(=O)c2ccccn2)n1 32721905 CLNFVJGLDKMWPO-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N 34268762 RIEQIRVXRYJFPZ-VXGBXAGGSA-N 218.344 2.102 0 40 BEAB in-vitro CCOC(=O)CCN1[C@@H](C)CCC[C@@H]1C 36671336 AHWZPSGTCFEGAT-QWRGUYRKSA-N 213.321 2.203 0 40 BEAB N[C@H]1C[C@H]1c1ccc(Br)s1 37381251 YOZWARUYCJJUCK-UHNVWZDZSA-N 218.119 2.325 0 40 BEAB COc1cccc(-c2nc(C(=O)O)c(C)[nH]2)c1 38078069 AUDLYIASJFZXMS-UHFFFAOYSA-N 232.239 2.092 0 40 BEAB COc1ccc2c(c1)CC[C@@H]2CC(=O)O 38524037 GUAFHEKEEYSSJU-SECBINFHSA-N 206.241 2.200 0 40 BEAB C1CC[C@H]2[C@@H](CN3CCCC3)NCC[C@H]2C1 39982820 WYMMZJPKJFWTSS-MGPQQGTHSA-N 222.376 2.251 0 40 BEAB O=C(O)c1cc(O)nc(-c2ccccc2)c1 40448753 BWWHCHGMKVVIMX-UHFFFAOYSA-N 215.208 2.152 0 40 BEAB CC(C)(C)[S@@](=O)CC(=O)c1ccccc1 44139381 JIEZAUAAJPHAJV-OAHLLOKOSA-N 224.325 2.417 0 40 BEAB Cc1cccc(OCCCC(=O)N(C)C)c1 47651795 JAHJZMJLRHXKFZ-UHFFFAOYSA-N 221.300 2.242 0 40 BEAB CCCN1CCC(CN(CC)CC)CC1 47973143 DPYPIMGFKGAKSC-UHFFFAOYSA-N 212.381 2.450 0 40 BEAB Cc1cccc(S(=O)(=O)N2CCCCC2)c1 57704177 OXWMFIQXEBLBAG-UHFFFAOYSA-N 239.340 2.170 0 40 BEAB OC[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 62720292 MABXRCHMDRJYEJ-WPRPVWTQSA-N 214.211 2.384 0 40 BEAB O=C(Nc1cc[nH]n1)[C@H]1C[C@@H]1c1ccccc1 68440518 FYKXVAXNLRZOPO-MNOVXSKESA-N 227.267 2.152 0 40 BEAB c1csc(Cc2nc([C@H]3CCCN3)no2)c1 70947252 TTXVDQDGPWEYMY-SECBINFHSA-N 235.312 2.146 0 40 BEAB O=Cc1cc(Br)cc(Cl)n1 71250740 WBFXAJGEAZAEQG-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB CCN1Cc2ccc(Br)cc2C1=O 72209235 YZFJPDUUDLXMNC-UHFFFAOYSA-N 240.100 2.425 0 40 BEAB COC[C@@H](OC)c1ccc([C@H](C)O)cc1 72220050 HZBXRAFNPGZPAW-JOYOIKCWSA-N 210.273 2.074 0 40 BEAB CC(C)C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2C 72373729 UUWYWQKVZJPPOT-LLVKDONJSA-N 249.358 2.206 0 40 BEAB CC[C@H]1Oc2c(F)cc(F)cc2NC1=O 75883274 QHPZGWKHDJEPLP-MRVPVSSYSA-N 213.183 2.074 0 40 BEAB Cc1noc(Cn2ccc(-c3ccsc3)n2)n1 76062558 FWVZMIDHEUIWMQ-UHFFFAOYSA-N 246.295 2.351 0 40 BEAB O=C(NCc1ccc(Cl)cc1)c1cnco1 82307193 IFTDFTDHDRQVFF-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB Cn1cncc1CNc1cccc(F)c1 85167696 DFQQULPFSNHCPE-UHFFFAOYSA-N 205.236 2.171 0 40 BEAB O=C(O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1 95919631 XBDRUHSCAZBDLY-RYUDHWBXSA-N 237.274 2.169 0 40 BEAB CC(=O)c1c[nH]c(C(=O)OCCC(C)C)c1 95946914 UMYJHYCCZLHKQQ-UHFFFAOYSA-N 223.272 2.420 0 40 BEAB O=C1NN[C@H](c2cccs2)c2ccccc21 96305842 FANBHDBKVQZRMR-NSHDSACASA-N 230.292 2.086 0 40 BEAB CC1(CNC(=O)Cc2ccn[nH]2)CCCCCC1 96494205 USRAKDZTEPREGO-UHFFFAOYSA-N 249.358 2.429 0 40 BEAB CC(=O)CC(C)(C)CC(=O)OCCOC(C)C 97105280 SXGRQXRWNPMWEP-UHFFFAOYSA-N 244.331 2.350 0 40 BEAB NC(=O)c1cccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102857329 YORJWAKVZZAHDU-GVXVVHGQSA-N 242.322 2.410 0 40 BEAB C[C@H]1NC[C@@H]2C[C@@H]1CN(Cc1ccccc1)C2 103710894 JVNQIVFIOMMCFT-VHDGCEQUSA-N 230.355 2.116 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cn1 105129543 CKARRUSXYUSTBY-JBLDHEPKSA-N 246.310 2.465 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)CCN 195542428 UZUBWYDNMRWJJB-VXGBXAGGSA-N 226.364 2.008 0 40 BEAB NNc1ccc2c(C(F)(F)F)cc(=O)oc2c1 199561549 LSZSPQJBXXMWPD-UHFFFAOYSA-N 244.172 2.097 0 40 BEAB CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccco1 206861784 YJEOZLQIUXOPRM-AAEUAGOBSA-N 249.310 2.440 0 40 BEAB CCc1ccc(C(=O)[C@H]2C[C@H]2C(=O)O)cc1 217816225 JLOMSCUIDGZYPV-WDEREUQCSA-N 218.252 2.152 0 40 BEAB Cc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1 225716439 JFPBLLFPDFWWMS-KBPBESRZSA-N 216.328 2.326 0 40 BEAB CC(C)N1CCC[C@H]1c1n[nH]c2c1[C@H](N)CCC2 242463763 DJVXIHARCMXVJD-PWSUYJOCSA-N 248.374 2.291 0 40 BEAB c1cc2cc(C[C@H]3CCCNC3)cnc2[nH]1 257304897 SNOMDWXTFNDAFR-SNVBAGLBSA-N 215.300 2.105 0 40 BEAB O=S(=O)(C1CC1)N1[C@H]2CC[C@H]1c1ccccc12 266237950 VOHGOUJBBXIPDB-STQMWFEESA-N 249.335 2.370 0 40 BEAB CC1(C)SC[C@H]1Nc1nnc(C(F)F)o1 293290824 YKGRSDATEDOTEC-SCSAIBSYSA-N 235.259 2.313 0 40 BEAB CCc1cc2ccc(=O)oc2c(OC)c1O 1677602 YNTPPRIXXALEJE-UHFFFAOYSA-N 220.224 2.070 0 40 BEAB Cc1ccc(OCC(=O)O)c(Cl)c1 1692356 PNTSMIMYOILILJ-UHFFFAOYSA-N 200.621 2.112 0 40 BEAB in-vitro Cc1cc(C)c(C(=O)OCCN(C)C)c(C)c1 1709133 CCZBVCHNNUAIEC-UHFFFAOYSA-N 235.327 2.330 0 40 BEAB CC(=O)O[C@@H](C)C(F)(F)[C@H](F)C(F)(F)F 2540343 CBTVHNOBDMIRTL-UCORVYFPSA-N 238.127 2.474 0 40 BEAB Cc1cnn(C(=O)[C@]2(C)CC2(Cl)Cl)c1 2872670 BFZOISGRPLUCIP-QMMMGPOBSA-N 233.098 2.416 0 40 BEAB CC1(C)[C@H]2C(=O)CC[C@@H]3CC[C@](C)(O)[C@H]3[C@H]21 4104697 MPVLWELHRXVGPH-CGUBKOMSSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CC(C)(C)NC(=O)c1ccc2nc(N)sc2c1 4245349 JHVFWSOIFKYZTK-UHFFFAOYSA-N 249.339 2.407 0 40 BEAB CC1(C)NC(=O)N=C[C@@H]1c1ccccc1 5497138 WONGMCZCJSHNAQ-SNVBAGLBSA-N 202.257 2.343 0 40 BEAB COc1ccc(C(N)=S)c2ccccc12 6404106 DALJDFTXYDRWNV-UHFFFAOYSA-N 217.293 2.483 0 40 BEAB O=c1c2c([nH]n1-c1ccc(F)cc1)CCCC2 9306328 VRYFUSSDEZQLOF-UHFFFAOYSA-N 232.258 2.184 0 40 BEAB Cc1ccc(Cl)cc1NCC(=O)NC1CC1 9315332 GLPUWMBPEMHEIP-UHFFFAOYSA-N 238.718 2.339 0 40 BEAB Cc1cc(NC(=O)c2cccc(F)c2)n(C)n1 13596268 SHDGFIKLQHJYEY-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB Cc1cc(C)nc(NC(=O)c2ccoc2C)n1 16971339 GVZXPLOQVFSFHM-UHFFFAOYSA-N 231.255 2.247 0 40 BEAB O=C(Nc1ccccc1Cl)C1CCNCC1 19413223 NJLSEAABSPPCBY-UHFFFAOYSA-N 238.718 2.278 0 40 BEAB O=C(O)c1cc(-c2ccccc2F)on1 20283761 QVWCQOSJFUMRFM-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB in-vitro NNc1nc2cc(Br)ccc2s1 22125015 XWYWJZSAHKLAPH-UHFFFAOYSA-N 244.117 2.344 0 40 BEAB COC(=O)c1ccc(C(=O)NCC2CCC2)cc1 26136679 QIDVKAGVNAWRBE-UHFFFAOYSA-N 247.294 2.003 0 40 BEAB Cc1c(-c2ccco2)nn(-c2ccccn2)c1N 26512289 GPZTUOVIFPNZOH-UHFFFAOYSA-N 240.266 2.418 0 40 BEAB N[C@@H]1C[C@@H]1c1cccc(Br)c1 32012640 CFVKOAMEQVZCAM-RKDXNWHRSA-N 212.090 2.264 0 40 BEAB CCn1c(C)cc(C(=O)NC(C)C)c1C 32850678 KSOPZNAACXAQKZ-UHFFFAOYSA-N 208.305 2.263 0 40 BEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 32865157 ALNSUNQDBBBXKR-LLVKDONJSA-N 245.322 2.036 0 40 BEAB COC(=O)c1cc2cc3c(cc2s1)OCO3 36405808 HBIJRFJPRZWVFD-UHFFFAOYSA-N 236.248 2.417 0 40 BEAB CN[C@H](CO)c1cc(Cl)cc(Cl)c1 38121389 LOBORLFPAAYCBR-SECBINFHSA-N 220.099 2.246 0 40 BEAB C[C@@H](C(=O)N(C)C1CCCCC1)n1cccn1 40060205 IRMBOXCNAORRMH-NSHDSACASA-N 235.331 2.235 0 40 BEAB Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)on1 40475781 FORYWDQVKRFDAB-UWVGGRQHSA-N 208.305 2.461 0 40 BEAB CC(C)(C)CC(=O)NCCc1ccccn1 40480684 DMGXWTSZDUFKGM-UHFFFAOYSA-N 220.316 2.177 0 40 BEAB COC(=O)c1ccc(NCc2ccco2)c(N)c1 41079769 ACBDLHXQFBYWGC-UHFFFAOYSA-N 246.266 2.261 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 41788353 HUEKXTQTVHOCEQ-RAIGVLPGSA-N 230.311 2.401 0 40 BEAB Cc1cc(NC(=O)c2ccc3c(c2)CCC3)[nH]n1 47555679 FKCVDBINFWHEEW-UHFFFAOYSA-N 241.294 2.459 0 40 BEAB O=C(CSC(F)(F)F)NC1CCCC1 48098842 WCQCFOYOZRUTAW-UHFFFAOYSA-N 227.251 2.298 0 40 BEAB COc1cccc(CN2CCCC[C@H]2CCO)c1 49801373 ACACCUZTYJQPIY-AWEZNQCLSA-N 249.354 2.432 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCN(C)C[C@@H]2C)c1 52198692 TVLNDWZNEQRFPH-JSGCOSHPSA-N 246.354 2.065 0 40 BEAB CCNC(=O)c1cc(-c2ccccc2)on1 53161016 XXPHTCRELGPRBO-UHFFFAOYSA-N 216.240 2.091 0 40 BEAB O[C@@H](Cc1ccc(F)cc1)C(F)(F)F 61893940 NNHSNLBBGIBVDH-QMMMGPOBSA-N 208.154 2.291 0 40 BEAB in-vitro CCO[C@H](C)c1nc(C)c(C(=O)O)s1 68576381 VHHNAKXPUMJMLP-ZCFIWIBFSA-N 215.274 2.247 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@H](C(=N)N)c1ccccc1 70660026 XOBDJBBOCPISBS-JTQLQIEISA-N 249.314 2.188 0 40 BEAB O=C(O)c1cn(Cc2ccccc2Cl)cn1 71547516 HIOUIHYSAZHNPJ-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB Cc1cc(N2CCC[C@@H](C)CC2)n2ncnc2n1 71842028 YDOTYTSHDNTKAT-SNVBAGLBSA-N 245.330 2.059 0 40 BEAB CCOC(=O)c1ccc2[nH]c(C)c(CCN)c2c1 72233459 PQLXELLGVIKLPL-UHFFFAOYSA-N 246.310 2.154 0 40 BEAB C[C@@H](CC[S@@](C)=O)NCc1ccc(F)cc1 75110426 UVLBVMLALWUWDL-QFYYESIMSA-N 243.347 2.072 0 40 BEAB C[C@@H]1CCN(C(N)=O)[C@@H]1c1cccc(F)c1 81674356 PLCNIXHLUKKDQB-KCJUWKMLSA-N 222.263 2.287 0 40 BEAB CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC 84740591 MSOSVFHZZBTXDD-UTUOFQBUSA-N 227.348 2.496 0 40 BEAB COc1ccc(CNCc2cc(C)nn2C)cc1 89182172 IRIJJCYMEQLDBA-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB O=C(C1CCOCC1)N1CCC[C@H]2CCC[C@@H]21 89817855 NVBOLDBZOAOVLV-YPMHNXCESA-N 237.343 2.204 0 40 BEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1Nc1nc(C2CC2)no1 89917629 OMPZXOQPZZIHMZ-AEJSXWLSSA-N 249.314 2.172 0 40 BEAB O=C(O)[C@@H]1CCC[C@@H](OC(F)(F)F)C1 96395133 WUWTUKRPGKAVNA-PHDIDXHHSA-N 212.167 2.166 0 40 BEAB CCN1CCCC[C@@H]1CNc1nc(C)ns1 96456207 GRKFAKGZXCQDDA-SNVBAGLBSA-N 240.376 2.133 0 40 BEAB O=C(O)c1cnc(C2CC2)nc1-c1ccncc1 96517111 GRGZSOILZIRJCE-UHFFFAOYSA-N 241.250 2.114 0 40 BEAB O=C(Nc1ccncc1F)N[C@H]1C=CCCC1 97135952 CXUBEYJNNLBUGM-VIFPVBQESA-N 235.262 2.451 0 40 BEAB Cc1cc(SCCn2ccnc2)nc(C)n1 97230140 KPPXVJLWVZWHSZ-UHFFFAOYSA-N 234.328 2.082 0 40 BEAB Cc1cccc(CNCCCn2cccn2)c1 97254234 YRYSFLKRKLNQCE-UHFFFAOYSA-N 229.327 2.371 0 40 BEAB CC(C)[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C 107273254 AYGAKZNBXDBMCG-GHMZBOCLSA-N 242.363 2.369 0 40 BEAB COC(=O)OCC(F)(F)[C@H](F)C(F)(F)F 169795725 TZWDABFESIWKEO-VKHMYHEASA-N 240.099 2.305 0 40 BEAB CC(C)O[C@H](Cc1ccccc1F)C(=O)O 220490153 JKRRQNRFWNVNLH-LLVKDONJSA-N 226.247 2.246 0 40 BEAB C[C@@H]1O[C@@H]2CCC[C@@H](CC(=O)O)[C@@H]2[C@@H]1C 225763766 MTYHLPGWADWHSZ-LNGZZDABSA-N 212.289 2.301 0 40 BEAB CC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227164670 LTJMJGRORTYLCO-UHFFFAOYSA-N 247.298 2.319 0 40 BEAB CC[C@H](C)[P@@](=O)(N1C[C@@H]1C)N1C[C@H]1C 301054454 QMRVDEQQFYHIBF-MVNDURHMSA-N 216.265 2.386 0 40 BEAB Cn1ncc2nc(Cl)cc(Br)c21 306509019 BAJFALUEJVZOCI-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CO[C@H]1CCCN[C@H]1Cc1ccccc1F 585274844 PIRSMJKUAVDGBC-STQMWFEESA-N 223.291 2.135 0 40 BEAB COC(=O)c1ccc(OC(=O)c2ccco2)cc1 360478 RMSISLCXWKNXQM-UHFFFAOYSA-N 246.218 2.285 0 40 BEAB CC1=Nn2c(nnc2-c2ccc(F)cc2)SC1 530963 GTUADWTZFGMUBZ-UHFFFAOYSA-N 248.286 2.414 0 40 BEAB Cc1ccc(NC(=O)c2ccc(O)nn2)c(C)c1 541529 FZDLAGKDDPJRJL-UHFFFAOYSA-N 243.266 2.051 0 40 BEAB Cc1ncc(CO)c(Nc2ccccc2)n1 1644816 QTCPZZPQPZREMZ-UHFFFAOYSA-N 215.256 2.021 0 40 BEAB Cc1ccc(Cl)cc1NC(=O)/C=C\C(=O)O 1646542 KFLFGXYJSLVOCF-PLNGDYQASA-N 239.658 2.228 0 40 BEAB C/C=C(\Br)C(=O)N1CCCCC1 1703364 SURPGBVFTUSPLH-WAPJZHGLSA-N 232.121 2.298 0 40 BEAB O=C(c1ccc(Cl)cc1)N1CCCOC1 2591146 OJOUCZPKSSJXIU-UHFFFAOYSA-N 225.675 2.160 0 40 BEAB CC(C)[C@@H](O)[C@@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845874 QJANQSIODSCOQO-GIPNMCIBSA-N 244.331 2.052 0 40 BEAB CSc1nnc(CCCN)n1C1CCCC1 4207192 CHUGYRWUYVEDPA-UHFFFAOYSA-N 240.376 2.006 0 40 BEAB in-vitro CCC[C@H](C)NC(=O)c1ccc2c(c1)OCO2 5794023 DRRCSWOUVIFVIG-VIFPVBQESA-N 235.283 2.334 0 40 BEAB C/C=C/C=C/C(=O)NCc1ccc(OC)cc1 6433581 ZWEMYOSDLZPSLK-VNKDHWASSA-N 231.295 2.444 0 40 BEAB Cc1cc(Cl)ccc1NCC(=O)NC1CC1 9995554 CYPXXMLBPVGLMV-UHFFFAOYSA-N 238.718 2.339 0 40 BEAB CCNS(=O)(=O)c1ccc(C)c2ccccc12 11691690 WBNWETQFFUOVJW-UHFFFAOYSA-N 249.335 2.446 0 40 BEAB CCn1c(S)nc2sc(C)cc2c1=O 12394432 GEBAIIFLBDDNRD-UHFFFAOYSA-N 226.326 2.075 0 40 BEAB CC(C)C(=O)NC[C@@H](c1ccsc1)N(C)C 13011243 ZAWIORCDIZQMDB-NSHDSACASA-N 240.372 2.123 0 40 BEAB CC(C)NC(=O)c1ccc(-n2cccn2)cc1 15545286 JHMHHPIZJRKRSQ-UHFFFAOYSA-N 229.283 2.011 0 40 BEAB O=C1CS/C(=C/c2nc3ccccc3s2)N1 17888368 XJWRTKVKIVPNKO-BJMVGYQFSA-N 248.332 2.458 0 40 BEAB Nc1ccc(-n2cnc3ccccc32)nc1 20281801 ZHJWNZRJIFJECV-UHFFFAOYSA-N 210.240 2.003 0 40 BEAB in-vitro O=C(NCC1CC1)N1CCc2sccc2C1 25089261 PRGAPWYBTBKRQV-UHFFFAOYSA-N 236.340 2.226 0 40 BEAB COc1ccc(-c2cc(=O)[nH]c(SC)n2)cc1 31773256 JDDMAGOOHMLCJA-UHFFFAOYSA-N 248.307 2.167 0 40 BEAB CCn1c(C)cc(C(=O)N2CCCC2)c1C 32850682 WBFJLDDQCWVRFV-UHFFFAOYSA-N 220.316 2.361 0 40 BEAB NCCOc1cccc(CN2CCCCC2)c1 34252791 HZCYZMOZKBDUHH-UHFFFAOYSA-N 234.343 2.010 0 40 BEAB CCN(CC)c1nc(=O)c2cc(N)ccc2s1 34924203 JCFPTDDYNKCFDS-UHFFFAOYSA-N 249.339 2.085 0 40 BEAB CN(C)C(=O)c1cc(-c2cccc(F)c2)no1 36392264 TUHAACPCZUOJDS-UHFFFAOYSA-N 234.230 2.183 0 40 BEAB Cc1n[nH]cc1CN[C@H](C)Cc1ccco1 36994140 CUMNIKUSHNLWCL-SECBINFHSA-N 219.288 2.032 0 40 BEAB O=C1CCC(Cc2ccccc2)(C(=O)O)CC1 39191066 NCNJCLUMOVAEAK-UHFFFAOYSA-N 232.279 2.443 0 40 BEAB Cc1ccc2cnn(CCC(=O)NC(C)C)c2c1 40758991 ZHDFRCVCYFCXSR-UHFFFAOYSA-N 245.326 2.259 0 40 BEAB COCCCCNC(=O)c1cc2ccccc2[nH]1 44317887 ORCBFEWIPGHSLZ-UHFFFAOYSA-N 246.310 2.324 0 40 BEAB c1ccc(Cc2noc(CN3CCCC3)n2)cc1 44974208 GPUPTAUUBURUSS-UHFFFAOYSA-N 243.310 2.256 0 40 BEAB CCCS(=O)(=O)Oc1ccc(C)cc1 45929272 LHDCQDRMQUZEJW-UHFFFAOYSA-N 214.286 2.114 0 40 BEAB Nc1ncc(CNCCC2=CCCCC2)cn1 46085426 BQIKBNUTOYXRHF-UHFFFAOYSA-N 232.331 2.039 0 40 BEAB CC1CCC(N(C)C(=O)c2ccc[nH]c2=O)CC1 48390906 HAQXKEKXIIWEBG-UHFFFAOYSA-N 248.326 2.026 0 40 BEAB Cc1nc(CNC(=O)Nc2ccccn2)oc1C 49028618 MCZLJYBVQCCTNO-UHFFFAOYSA-N 246.270 2.008 0 40 BEAB Cc1ccc(-n2cnc(C(=O)O)c2)c(C)c1 50225909 XOWTTWLIDKAAFE-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB NCCSc1cccc(Br)c1 55306565 UWJWMTPWUMJWOR-UHFFFAOYSA-N 232.146 2.500 0 40 BEAB Clc1ccnc(NCc2cccnc2)n1 57331324 SAKPXXFGOCZGRC-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CN 59535378 FKMJKEQHUVZBJG-OCCSQVGLSA-N 218.344 2.103 0 40 BEAB CCOc1ncccc1NC(=O)N(C)C1CC1 63813110 FWPREVUYFDCDGN-UHFFFAOYSA-N 235.287 2.106 0 40 BEAB COC(=O)c1cccc2[nH]cc(C(C)=O)c12 67172983 HQSCAHGCMVIXAF-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB O=C(Nc1ccc2ncccc2c1)[C@H]1CCOC1 69354806 SDPATCJCSDQDSY-NSHDSACASA-N 242.278 2.210 0 40 BEAB c1cncc(-c2nc3c4ccccc4ncn3n2)c1 71282870 UMEJEWQYMSXBHP-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB COc1ccc2c(C)c(C(=O)O)[nH]c2c1 71625221 GAXRKJWZFDHHJC-UHFFFAOYSA-N 205.213 2.183 0 40 BEAB CCN(C)c1ncccc1[C@@H]1CCCCN1C=O 72212808 UXTZTDNQEHCKAE-ZDUSSCGKSA-N 247.342 2.221 0 40 BEAB COc1cc(C)c([C@@H]2CCCN2C)cn1 72218001 XYSUJOPFMVEKHG-NSHDSACASA-N 206.289 2.165 0 40 BEAB Cc1ncn(Cc2nnc(-c3ccco3)o2)c1C 72282490 PPXGWCNWXREASR-UHFFFAOYSA-N 244.254 2.191 0 40 BEAB CC(C)CC[C@](C)(O)CNC(=O)C1CC=CC1 75128849 DGVVOHHHBRRXHO-AWEZNQCLSA-N 239.359 2.256 0 40 BEAB CN(CC1CCC1)C(=O)CCc1ccccn1 78614892 NNXSIJUCDDGFBS-UHFFFAOYSA-N 232.327 2.273 0 40 BEAB C[C@@]1(CNc2cnc3ccccc3n2)CCOC1 79089944 VNKNLUASCIMKIV-AWEZNQCLSA-N 243.310 2.468 0 40 BEAB O=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)O1 83967372 ZWGMNGIRYITIQN-QMMMGPOBSA-N 231.173 2.486 0 40 BEAB in-vitro CCOC[C@H](Cc1ccc(F)cc1F)NC 84064345 APVMLSLSAWUGEI-NSHDSACASA-N 229.270 2.132 0 40 BEAB O=C1CCc2nc(Br)sc21 84324815 PKLPDCHJWQGPMT-UHFFFAOYSA-N 218.075 2.035 0 40 BEAB O=C(O)[C@@H]1CCc2nc(C3CC3)sc2C1 84422190 KGUNURZYWZLCCK-SSDOTTSWSA-N 223.297 2.210 0 40 BEAB C[C@@H](NC[C@@H]1CCCNC1)c1ccc(F)cc1 95147659 QOLAVFJYNHHXEP-VXGBXAGGSA-N 236.334 2.476 0 40 BEAB CC(C)[C@H](N)c1n[nH]c(COc2ccccc2)n1 95534698 FXSPSYILNYACKF-LBPRGKRZSA-N 246.314 2.040 0 40 BEAB CCOC(=O)[C@@H](C)Cc1cc(F)c(O)c(F)c1 95629381 REZNQKBGCOTNER-ZETCQYMHSA-N 244.237 2.412 0 40 BEAB COCC(=O)Nc1ccccc1CSC 95940172 HVRLTFQJDURUAG-UHFFFAOYSA-N 225.313 2.135 0 40 BEAB Cc1ncccc1OCc1cccc(C(N)=O)c1 96501106 GHTLIOUEUYSBSN-UHFFFAOYSA-N 242.278 2.068 0 40 BEAB Nc1c(Br)cc(Cl)cc1CO 127603367 KWUVRMMWUWYHCG-UHFFFAOYSA-N 236.496 2.177 0 40 BEAB CCOC(=O)c1cnc2sccc2c1 196780791 PBSNIODLDCURGJ-UHFFFAOYSA-N 207.254 2.473 0 40 BEAB O=C(CCC(F)(F)F)Nc1ccccn1 266284799 WUNHQJIIMMBLLT-UHFFFAOYSA-N 218.178 2.363 0 40 BEAB CC(C)(C)OC(=O)NCC12CCCC(N)(C1)C2 575623976 IDLXYRRAJDINAX-UHFFFAOYSA-N 240.347 2.173 0 40 BEAB Nc1ccc2nccc(OCC(F)F)c2c1 685937572 KQECANNYLOKXSF-UHFFFAOYSA-N 224.210 2.461 0 40 BEAB Cc1nnsc1Cn1cnc(C(C)(C)C)c1 865376159 BONHAGFKBHIEDO-UHFFFAOYSA-N 236.344 2.389 0 40 BEAB COC(=O)CCc1c[nH]c2cccc(OC)c12 1857793222 NSSDKOIJBXPNGN-UHFFFAOYSA-N 233.267 2.282 0 40 BEAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(C(C)C)C(=O)[C@@H]21 33164 QZDGIMJUMMQDQD-QZHINBJYSA-N 245.322 2.148 0 40 BEAB CCN1CCC(=O)N(CC)c2ccccc21 268931 RKKSONRMDRIJEX-UHFFFAOYSA-N 218.300 2.270 0 40 BEAB CCOC(=O)c1cc2c(OC)ccc(OC)c2[nH]1 1016266 DLRGJWYWJJCCOU-UHFFFAOYSA-N 249.266 2.362 0 40 BEAB CCCNC(=O)NCCN(CC)c1ccccc1 1738051 HCNWVXLDCJNNJM-UHFFFAOYSA-N 249.358 2.222 0 40 BEAB CCCCOC(=O)Nc1nnc(C)s1 1770700 JHNTVTYLDPLYMA-UHFFFAOYSA-N 215.278 2.195 0 40 BEAB COc1ccc(CNCc2cn(C)nc2C)cc1 2536050 QTOWXMDBGVAMFO-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB Cc1cccc(C)c1NC[C@H]1CCCN1 2565974 UWCWUCKPEYNDNV-GFCCVEGCSA-N 204.317 2.467 0 40 BEAB c1cncc(CSc2ncnc3nc[nH]c23)c1 4769952 YKLRWNKTMVBHDK-UHFFFAOYSA-N 243.295 2.040 0 40 BEAB in-vitro CCCCNC(=O)c1c(OC)cccc1OC 5419790 XMHNGNTWUCCONL-UHFFFAOYSA-N 237.299 2.234 0 40 BEAB CC(C)NC(=O)/C=C/c1ccc(F)cc1 5909763 SHFFIABZLAWJRK-VMPITWQZSA-N 207.248 2.364 0 40 BEAB Cc1ccccc1OCC(C)(C)C(=O)O 8730681 YBFDTORIFPQZDQ-UHFFFAOYSA-N 208.257 2.485 0 40 BEAB CC(C)c1cc([C@@H]2CCCN2CC(=O)O)no1 12397345 WSMZWKPHVHUSPF-JTQLQIEISA-N 238.287 2.020 0 40 BEAB CCOC(=O)c1ccc2nc(C)cc(N)c2c1 12422105 COTZCHZLPFDMPA-UHFFFAOYSA-N 230.267 2.302 0 40 BEAB COc1ccc2c(c1)CCCN2C(=O)C1CC1 12977650 NMWKBBNINOXPHI-UHFFFAOYSA-N 231.295 2.384 0 40 BEAB Cc1ccc(OC2CCNCC2)cc1C 19422567 LHFODAAPLVSGBY-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB in-vitro c1cnc2[nH]c([C@H]3CCCNC3)cc2c1 19685974 HQXXEVXSXRYNIL-JTQLQIEISA-N 201.273 2.030 0 40 BEAB CSc1ccc(CNCCN(C)C)cc1 20083579 UALIWJICEAPYTL-UHFFFAOYSA-N 224.373 2.060 0 40 BEAB COc1ccc(NC(=O)CC(C)C)cc1N 20343048 XWHXZRKYVSDVMU-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB CC1(C)CC(N2CC2)=CC(=[N+]2CCCC2)C1 25514592 LJZQTQCAJSTRKT-UHFFFAOYSA-N 219.352 2.253 0 40 BEAB CCOC(=O)[C@]1(C)CNc2ccccc2C1 26422599 CBGPRWHIGZYREM-ZDUSSCGKSA-N 219.284 2.224 0 40 BEAB Nc1nc(Cc2ccc(F)cc2)cs1 32627761 KETYJLJOLMTSNE-UHFFFAOYSA-N 208.261 2.455 0 40 BEAB in-vitro Cc1nn(C)c(C)c1NC(=O)c1cccc(F)c1 32675873 PCMVLAUOPZZQEJ-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CC1CCN(C(=O)CN(C)C2CCCC2)CC1 32843181 PTKHHSQCSMIBQR-UHFFFAOYSA-N 238.375 2.119 0 40 BEAB CN(C)C(=O)[C@@H]1CCCN1CC1CCCCC1 32851160 SPEGOGRONYUXTI-ZDUSSCGKSA-N 238.375 2.119 0 40 BEAB Cc1cccc(C(=O)N2CCCC[C@H]2C)n1 32909239 IYQOXGBQNVBZID-LLVKDONJSA-N 218.300 2.405 0 40 BEAB C[C@H]1C[C@H](N2CCCc3ccccc32)C(=O)O1 36396609 YWQFJMKZRJTAKW-GWCFXTLKSA-N 231.295 2.143 0 40 BEAB NCCCn1c(C(F)(F)F)nc2ccccc21 38478282 CNGKDZSYDXMJGX-UHFFFAOYSA-N 243.232 2.404 0 40 BEAB CCN(CC)C[C@H](C(=O)O)c1ccccc1 41237465 HCXZTSRVNFVFBL-LBPRGKRZSA-N 221.300 2.197 0 40 BEAB CCOc1cc(Cl)ccc1C(=O)O 42224325 JYELDIDGIRZNPI-UHFFFAOYSA-N 200.621 2.437 0 40 BEAB in-vitro C[C@H]1CCCN(c2cncc(Cl)n2)C1 42783554 HUHYVRHJMZWXIQ-QMMMGPOBSA-N 211.696 2.366 0 40 BEAB O=C(Cc1cccc2cccnc12)NCC1CC1 43805267 LKVQFKHWZKFGQY-UHFFFAOYSA-N 240.306 2.304 0 40 BEAB Cc1ccccc1N1CC[C@]2(CCCNC2)C1=O 44136566 IEZYTOSMSFZUFY-HNNXBMFYSA-N 244.338 2.102 0 40 BEAB Cc1cc2nc(N3CCC3)c3ccccc3n2n1 45725733 LZHQCXOABGIWQN-UHFFFAOYSA-N 238.294 2.401 0 40 BEAB CCOC(=O)c1c[nH]c2cccc(OC)c12 47202886 NILOFVCPFOLWKK-UHFFFAOYSA-N 219.240 2.353 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(CO)C1 48056631 BBMPPFABSXELKV-ZWNOBZJWSA-N 241.331 2.016 0 40 BEAB NCc1cn(Cc2ccccc2Cl)cn1 71524055 ULTGLHLWGHLDBX-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccnc(C)c1 71900258 CGIPFYWRRWKCOQ-VNKDHWASSA-N 202.257 2.461 0 40 BEAB Nc1cc(OCC(F)(F)F)ccc1F 72209414 OOFCMANEZHHHTO-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB Cc1ccc(C)n1CC(=O)Nc1ccccn1 74694377 FKLZILJBCANPGZ-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB Cc1nc2cccc(F)c2n1C1CCNCC1 75972965 SXETXKZAFXVHEQ-UHFFFAOYSA-N 233.290 2.408 0 40 BEAB CCN(C(=O)NC1CC1)[C@@H](C)c1ccncc1 79064562 BFXDAOCBUFRSIG-JTQLQIEISA-N 233.315 2.337 0 40 BEAB Cn1c(C(=O)n2ccnc2)cc2ccccc21 82272226 ADYHRNBAGGTTOP-UHFFFAOYSA-N 225.251 2.063 0 40 BEAB CCc1[nH]c2ccc(OC)cc2c(=O)c1C 82449778 RPMWQHWHVYCVDQ-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB Cc1ccc(-c2sc(N)nc2C(=O)O)cc1 83239634 AKZBGCSSXWJAGL-UHFFFAOYSA-N 234.280 2.399 0 40 BEAB Cc1nn(C)c(C)c1[C@@H]1CCCCCN1 83287526 TYEYEGUXCAFYCB-NSHDSACASA-N 207.321 2.242 0 40 BEAB COC(=O)[C@@]1(C)O[C@@]1(C)C1CCCCC1 85657939 ODUQUFFHYSBQIT-NWDGAFQWSA-N 212.289 2.287 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCNC[C@H]2C)c(C)c1 94345061 KRBNHAITKITMIX-TZMCWYRMSA-N 246.354 2.031 0 40 BEAB CCCOc1cc(C(=O)OC)cc(N)c1C 95095516 HXRYIVLOZITQMQ-UHFFFAOYSA-N 223.272 2.153 0 40 BEAB CC(C)CCc1csc(CS(C)(=O)=O)n1 95410992 GQYQPZKYOQSKOR-UHFFFAOYSA-N 247.385 2.276 0 40 BEAB CC(C)(C)OC(=O)N1CC2(C1)OCC2(C)C 95937308 OROYAGCOSGRUQJ-UHFFFAOYSA-N 227.304 2.032 0 40 BEAB Cc1nnc(CSC[C@@H]2CCCCO2)o1 96467775 BZNUXPLKYPUXNE-VIFPVBQESA-N 228.317 2.180 0 40 BEAB C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccncc1 97096320 OKEIJSBULLVRDS-YPMHNXCESA-N 247.342 2.188 0 40 BEAB CC1CCC(O)(CN[C@@H](C)[C@@H]2CCCO2)CC1 97111576 HQHBSGXGKQVBFK-QPPOZKHWSA-N 241.375 2.085 0 40 BEAB NCC(=O)c1cc(Cl)c(F)c(Cl)c1 97447172 HMFXXUFNHBIUOT-UHFFFAOYSA-N 222.046 2.274 0 40 BEAB CC[C@@H](C[C@@H]1COC(N)=N1)c1ccccc1 113978350 IXDKFUBXESWHSL-CMPLNLGQSA-N 218.300 2.284 0 40 BEAB Fc1cccc(F)c1N1CCN[C@@H]2CCC[C@H]21 218847693 JQRHECGNOBAGTD-VXGBXAGGSA-N 238.281 2.296 0 40 BEAB N=C(N)Cc1ccc(F)c(C(F)(F)F)c1 228916369 GJUGCBMWZKOBIW-UHFFFAOYSA-N 220.169 2.323 0 40 BEAB CCCn1cc(NCc2c(C)cnn2C)c(C)n1 256053281 QVRAEEKVZMYUDQ-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB Cc1cc(-c2cccc([C@@H]3CCCN3)n2)[nH]n1 257242626 IDJRLVZYZUHQFB-JTQLQIEISA-N 228.299 2.205 0 40 BEAB Cc1c[nH]c([C@@H]2CCCN2Cc2cccnc2)n1 257287749 PRJAOAVIIUGSJH-ZDUSSCGKSA-N 242.326 2.450 0 40 BEAB O=C(O)CCCn1ncc(Cl)c1C(F)F 408717239 XGQKMZUKSBLRLY-UHFFFAOYSA-N 238.621 2.339 0 40 BEAB Nc1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 1548918870 LNBJPOZXPXYHKU-UHFFFAOYSA-N 242.204 2.208 0 40 BEAB COC(=O)c1cc(-c2cc(F)cc(F)c2)on1 1848351445 IYTXLHMRSZNCKV-UHFFFAOYSA-N 239.177 2.406 0 40 BEAB Cc1ncn(-c2ccccc2OC(F)F)n1 2362803679 WTOXEVZVXNTWNW-UHFFFAOYSA-N 225.198 2.177 0 40 BEAB O=C1NC(=O)c2ccc(Cl)c3cccc1c23 24217 PFNUDUPCMCKPRD-UHFFFAOYSA-N 231.638 2.377 0 40 BEAB COC(=O)c1sccc1Oc1ncccn1 1402044 MDDIKAYHCHNOQH-UHFFFAOYSA-N 236.252 2.117 0 40 BEAB CC[C@]1(C)OC(=O)[C@@H](c2ccccc2)O1 1687896 ZNXPDXFSIBVTGN-PWSUYJOCSA-N 206.241 2.427 0 40 BEAB O=c1oc2cccc(C(F)(F)F)c2o1 2540439 MHJAEXGTKXIGLH-UHFFFAOYSA-N 204.103 2.405 0 40 BEAB CCC(=O)Nc1nnc(-c2ccc(OC)cc2)o1 4276087 KARDIMGGDAZSLO-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB C[C@]1(O)C[C@H](c2ccccc2)S[C@@H]1C(=O)O 4722283 YMQZLPSBXBXWNW-FOGDFJRCSA-N 238.308 2.069 0 40 BEAB CNC(=S)N[C@@H]1CCCc2ccccc21 6333448 GBWYIASSWUXXQD-LLVKDONJSA-N 220.341 2.158 0 40 BEAB CC(C)OCCCNC(=O)C1CCCCC1 13716933 OHVKMVISRXZRLL-UHFFFAOYSA-N 227.348 2.498 0 40 BEAB Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@H]2CCCO2)o1 27852456 PGNUEFAODSLBII-GPTOWFIXSA-N 249.310 2.285 0 40 BEAB COC(=O)[C@@H](C)CN[C@@H](C)c1ccccc1 35133481 KIJCPIKSICZNKI-QWRGUYRKSA-N 221.300 2.146 0 40 BEAB COCC(=O)N(C)Cc1c(F)cccc1Cl 40459515 XAXVTNDUNYARMJ-UHFFFAOYSA-N 245.681 2.084 0 40 BEAB CCOC(=O)NCc1c[nH]c2ccccc12 41341075 ZRSLIQXTMQBVED-UHFFFAOYSA-N 218.256 2.414 0 40 BEAB COc1ccc([C@@H](O)C(F)(F)F)cc1OC 42268259 QJIGHVHBCKDJTB-SECBINFHSA-N 236.189 2.300 0 40 BEAB C[C@H](CO)[C@@H]1CC[C@@H]2[C@H](O)CCC[C@@]12C 44021067 FUBPRYXDIHQLGH-MLGHIDQZSA-N 212.333 2.192 0 40 BEAB C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)O 49815104 BZIXVZCPWVTUKP-RDDDGLTNSA-N 212.195 2.327 0 40 BEAB in-vitro C[C@H]1C[C@@H]1C(=O)NCCCN1CCCCCC1 57288879 JHKGLUMAXBHWOZ-STQMWFEESA-N 238.375 2.025 0 40 BEAB Cc1cc(Cl)c(C)c(C(=O)O)c1O 57339494 RKDLNTCKQZNOPF-UHFFFAOYSA-N 200.621 2.361 0 40 BEAB Cc1ccc(Cl)c(NC(=N)NC#N)c1 58836481 ACGXFJXUPFKJDC-UHFFFAOYSA-N 208.652 2.066 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N[C@H](C)CCc1ccco1 60537994 CHCUSMVCAWIIQG-UMNHJUIQSA-N 221.300 2.373 0 40 BEAB CCN(C(=O)[C@@H](C)CSC)c1ccncc1 71910398 VNDMCTRJOYZBNP-JTQLQIEISA-N 238.356 2.434 0 40 BEAB CC1(C)[C@]2(CC(=O)O)CC[C@@]1(C)[C@@H](O)C2 72207010 AALGVLMQGQLLPJ-KPXOXKRLSA-N 212.289 2.038 0 40 BEAB Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1 72381189 LVPUVLCTQYYBEZ-UHFFFAOYSA-N 247.342 2.223 0 40 BEAB CS[C@H]1CCC[C@@H]1N(C)Cc1nnc(C)o1 76146387 SMEPZXDQTLHTLI-UWVGGRQHSA-N 241.360 2.094 0 40 BEAB CCS[C@@H]1CCC[C@H](NC(=O)CCOC)C1 79013372 OHJLCUGFGXPSLQ-WDEREUQCSA-N 245.388 2.203 0 40 BEAB CC[C@@H](c1ccccc1)N(C(=O)[C@H](C)N)C1CC1 79421266 GUTOZEGTJSJQMH-FZMZJTMJSA-N 246.354 2.476 0 40 BEAB Cc1cccc2sc(N3CCNCC3)nc12 83102205 WWFCHSPLZLGSSG-UHFFFAOYSA-N 233.340 2.014 0 40 BEAB O=C(O)CSC[C@H]1CCCN2CCCC[C@@H]12 85389390 ILNNSEOHNOANCC-MNOVXSKESA-N 243.372 2.069 0 40 BEAB COC(=O)c1ccc([C@@H](C)N(C)CC(F)F)o1 91555968 SWIXSFBQRAWXCC-SSDOTTSWSA-N 247.241 2.324 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1CCOC[C@@H]1CCCO1 96421115 BZKFNNNEUOGECC-MCIONIFRSA-N 241.375 2.445 0 40 BEAB Cn1nc(C(C)(C)C)cc1-c1cc[nH]n1 96528259 CAQYRXQSIRKXIZ-UHFFFAOYSA-N 204.277 2.108 0 40 BEAB CO[C@H](C)C(=O)Nc1cc(F)ccc1C(C)=O 97107037 TZYUVWMUFCRUEK-MRVPVSSYSA-N 239.246 2.002 0 40 BEAB O=C1CC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3CC[C@@H]4C3)[C@@H]12 104292438 LUPBDHBRYILHLB-XJDRWNDNSA-N 228.291 2.137 0 40 BEAB NC(=O)Nc1cc(F)cc(C(F)(F)F)c1 149957713 PXTBMIPPRBHALF-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CC(C)CC(=O)Oc1ccc(CO)cc1 199561414 VFXZWSDQZZDPMR-UHFFFAOYSA-N 208.257 2.130 0 40 BEAB COc1ccc(C[C@H]2CC[C@@H]3CNC[C@@H]32)cc1 205698345 XXYXQEWTWDLQIQ-UMVBOHGHSA-N 231.339 2.483 0 40 BEAB COC(=O)c1c[nH]c2cnc(Cl)cc12 215084812 NBBDSKLWKLHOAO-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@@H]2[C@@H](C)O)c1 216295149 XIQGGSRGDTUMQB-WQHBLYJGSA-N 222.284 2.188 0 40 BEAB Nc1cc(C(F)F)cnc1Br 238635354 MCUMQZKMGJCKHK-UHFFFAOYSA-N 223.020 2.364 0 40 BEAB CCn1nccc1CNc1cc(C2CC2)nn1C 256049522 AHNZGPHIXBQHPW-UHFFFAOYSA-N 245.330 2.126 0 40 BEAB COC(=O)c1ccccc1C(=O)C1CCC1 258192007 CXFBCVIINGDCEQ-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB Cc1ccc2c(=O)n(C3CC3)c(S)nc2c1 1775968622 HLPILQXPNQZEOZ-UHFFFAOYSA-N 232.308 2.329 0 40 BEAB NC[C@H](O)c1ccc(-c2ccco2)s1 1775974727 MYJJVZISWOKFMA-ZETCQYMHSA-N 209.270 2.000 0 40 BEAB C[C@@H]1[C@@H]2CCC[C@H](O)[C@@]2(C)CCC12OCCO2 2362801362 AVQNPOPDEYOOKP-VOAKCMCISA-N 240.343 2.327 0 40 BEAB CCOC(=O)C[C@@H]1C[C@@H](C(=O)OCC)C1(C)C 1627028 FJYUJCOPVWAEOU-UWVGGRQHSA-N 242.315 2.165 0 40 BEAB COc1cc2c(c(Cl)c1Cl)NC(=O)C2=O 1672149 URRRAZCPEYATRQ-UHFFFAOYSA-N 246.049 2.137 0 40 BEAB CCOC(=O)c1[nH]c2c(C)cccc2c1C=O 3679798 KLJLOYBJTYDSIT-UHFFFAOYSA-N 231.251 2.466 0 40 BEAB CCOC(=O)CCC(=O)Nc1ccc(C)cc1 5869138 NFPIMXJDZKVYBM-UHFFFAOYSA-N 235.283 2.277 0 40 BEAB OCc1ccc(N2CCCCC2)cc1F 8701682 ADMKJMGNGDKXFG-UHFFFAOYSA-N 209.264 2.308 0 40 BEAB CCOC(OCC)c1cn(C(C)(C)C)nn1 9339935 TYSFPRWYDKUYEU-UHFFFAOYSA-N 227.308 2.105 0 40 BEAB Cc1cc(NC(=O)c2ccno2)n(C(C)C)n1 11695218 YJHLZMVCVYVIDX-UHFFFAOYSA-N 234.259 2.013 0 40 BEAB C[C@@H]1CCCCN1Cc1ccc(C(=O)O)o1 11864417 XTYBWMHGFSKJEL-SECBINFHSA-N 223.272 2.352 0 40 BEAB CCOc1cc2c(cc1OCC)CCN=C2 11919521 PZYMNOANTNPDAE-UHFFFAOYSA-N 219.284 2.459 0 40 BEAB CCOc1ccccc1OCC1CCNCC1 14631425 SJYKCLPHWGFPAS-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB COC(=O)c1cccc(Cn2cccc2)c1 15041889 OSXXTIJEACAFKU-UHFFFAOYSA-N 215.252 2.323 0 40 BEAB CSCC[C@@H](N)c1nc2ccccc2n1C 19734601 FTBGQXITHUXBBE-SECBINFHSA-N 235.356 2.326 0 40 BEAB COc1ccc(Cn2nc(C)c(N)c2C)cc1 19869455 BYBOFEMXJVYIME-UHFFFAOYSA-N 231.299 2.139 0 40 BEAB CN[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 20283630 ZBQMTJZQSAUXMK-UWVGGRQHSA-N 232.110 2.171 0 40 BEAB in-vitro CC(C)(C)OC(=O)COc1ccc(O)cc1 32911290 YYDLJZGSVBZPSF-UHFFFAOYSA-N 224.256 2.113 0 40 BEAB O=CNCCCCCCCCCCC(=O)O 35585938 GWVVLBSJNVHDBJ-UHFFFAOYSA-N 229.320 2.328 0 40 BEAB Cc1csc(-n2cc(Br)cn2)n1 38074906 XKKMGOGLOKRTQJ-UHFFFAOYSA-N 244.117 2.400 0 40 BEAB C=CC(=O)N1CCc2sccc2[C@H]1C 38100564 ADHORSODJWZWAM-MRVPVSSYSA-N 207.298 2.380 0 40 BEAB NNc1nc2ccc(OC(F)(F)F)cc2s1 38478258 DYZRKRXUAGGAPE-UHFFFAOYSA-N 249.217 2.481 0 40 BEAB CC[C@@](O)(C(=O)O)c1cccc(Cl)c1 40733724 UBAZPZJVHDVJLY-JTQLQIEISA-N 214.648 2.022 0 40 BEAB in-vitro C[C@H](CCc1ccccc1)NCCn1cccn1 42538660 IHXRREKPFGEMIN-CQSZACIVSA-N 243.354 2.494 0 40 BEAB COc1cccc(C(=O)c2cccc(F)c2)n1 45028723 NNMZZMSUAMLBCN-UHFFFAOYSA-N 231.226 2.460 0 40 BEAB CNC[C@H](OC)c1cccc(Br)c1 50482391 NHIDADDJZRNOOE-JTQLQIEISA-N 244.132 2.356 0 40 BEAB CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 55472921 MVUOQBOCDNIEBG-LLVKDONJSA-N 222.263 2.302 0 40 BEAB N[C@@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 72198901 FSIOCDSWBPUUGP-QMMMGPOBSA-N 239.624 2.351 0 40 BEAB CC(C)CCc1nc(Cn2cncn2)cs1 75092336 RFLWNDQJXCJSEV-UHFFFAOYSA-N 236.344 2.372 0 40 BEAB Cc1ccc2c(c1)c(C(=O)O)c(C)n2C 82592501 GBKNBZQCUBMIIF-UHFFFAOYSA-N 203.241 2.493 0 40 BEAB CCc1ccc(C(N)=O)cc1Br 83223681 CHFUFFZTRUQLER-UHFFFAOYSA-N 228.089 2.110 0 40 BEAB O=C(C1CCOCC1)N1C[C@H]2CCCC[C@@H]2C1 89818833 XPMUXKYNHPNVTI-CHWSQXEVSA-N 237.343 2.062 0 40 BEAB CC1(C)CCC[C@@H]1N[C@@H]1CCc2[nH]ncc2C1 90455933 UPHVXGLVJPZUKY-YPMHNXCESA-N 233.359 2.435 0 40 BEAB O[C@@H](c1cc(Cl)ccn1)C(F)(F)F 91356055 LUUGGAPKHUEXRA-LURJTMIESA-N 211.570 2.331 0 40 BEAB C[C@@H](NC(=O)/C=C/c1ccncn1)C(C)(C)C 95993670 UXDMRENBORVVFP-BRAIEQGRSA-N 233.315 2.041 0 40 BEAB Cc1ccc(OCc2ccccc2)c[n+]1[O-] 113349288 FBBMNGYRVLBROF-UHFFFAOYSA-N 215.252 2.207 0 40 BEAB CC(C)Oc1cc(C(=O)O)c(Cl)cn1 166451124 QVGAOCAWYHDHGR-UHFFFAOYSA-N 215.636 2.220 0 40 BEAB Cn1ccnc1C[S@](=O)CC1CCCCC1 177068366 YUGSHMCNBYJBJH-MRXNPFEDSA-N 240.372 2.249 0 40 BEAB Cc1cnc([C@@H]2CCN(Cc3cccnc3)C2)[nH]1 205688638 FJJJJDCTLXNOIO-CYBMUJFWSA-N 242.326 2.103 0 40 BEAB O=C(C1CC1)N1CCC[C@H]1CCc1ccncc1 205689732 PYPRCOWUKDGJIM-AWEZNQCLSA-N 244.338 2.415 0 40 BEAB CC(C)c1ccc([C@@H]2CN(C)C[C@@H]2N)cc1 217660900 RZAQKRLKXBQPIV-KBPBESRZSA-N 218.344 2.166 0 40 BEAB C[C@H]1C[C@H]2[C@@H](CN)C[C@H](C(F)(F)F)C[C@H]2O1 225761808 FWJZILYJODZJNY-CVPUBMOQSA-N 237.265 2.327 0 40 BEAB c1ccc(C[C@H]2CCC[C@@H]3CNC[C@@H]32)nc1 257215020 COINWAKGAYKNDC-YRGRVCCFSA-N 216.328 2.260 0 40 BEAB C[C@@]1(C(=O)Nc2ccccc2O)CC1(F)F 335641916 XKVFNADVWWAYFK-JTQLQIEISA-N 227.210 2.376 0 40 BEAB COC1CN(Cc2ccnc3ccccc23)C1 656651774 ULWHLZFSLBDPEF-UHFFFAOYSA-N 228.295 2.065 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(F)F 715466363 LXRUDDUMTGFTHU-KNVOCYPGSA-N 219.231 2.118 0 40 BEAB CC(C)(C)c1ccc(C(=O)O)cc1C(=O)O 345882 LKJKDWUEGGOHFB-UHFFFAOYSA-N 222.240 2.381 0 40 BEAB COc1cccc2c1ccc1nonc12 1578491 PTNMUGDZJJUIGX-UHFFFAOYSA-N 200.197 2.385 0 40 BEAB COC(=O)c1ccc(O)cc1C1(Cl)CC1 1590298 HGQRLGAFFRMMDP-UHFFFAOYSA-N 226.659 2.407 0 40 BEAB COc1ccc(C(C)=O)c(O)c1Cl 1687864 OEMBNCDQWQVSPG-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB CCN(C(=O)CC(C)=O)c1ccccc1C 2160122 AFIPAEDDYKNWPB-UHFFFAOYSA-N 219.284 2.327 0 40 BEAB COC(=O)c1c(Cl)c2ccccc2oc1=O 2551500 WXTCIKRXMUKMFO-UHFFFAOYSA-N 238.626 2.233 0 40 BEAB FCCCCSc1ncnc2nc[nH]c12 4877284 XWQDWVMTNABIBN-UHFFFAOYSA-N 226.280 2.195 0 40 BEAB O=C(Cc1cccc(F)c1)Nc1nccs1 7007639 RBEZTSJJONOQTF-UHFFFAOYSA-N 236.271 2.463 0 40 BEAB Cc1ccc(C)n1NC(=O)c1ccc(N)cc1 7468732 JOZYIPLXVUKKCQ-UHFFFAOYSA-N 229.283 2.071 0 40 BEAB CC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)O 8730598 IQHUSHSXPCEVKW-RYUDHWBXSA-N 217.268 2.207 0 40 BEAB O=C(c1ccc2ccccc2n1)N1CCC1 15480495 KRYPDYHOFZOYTG-UHFFFAOYSA-N 212.252 2.081 0 40 BEAB Cc1ccccc1NC(=O)[C@@H]1CCCCN1 19412138 OLNKMMBYJBCFNF-LBPRGKRZSA-N 218.300 2.076 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@@H](CO)C2)cc1C 19780972 KONADCAUEJXDNU-CYBMUJFWSA-N 247.338 2.148 0 40 BEAB O=C(O)c1ccc(OC[C@H]2CCCCO2)cc1 20080548 MGARNVXPLJRSIZ-GFCCVEGCSA-N 236.267 2.333 0 40 BEAB CC[C@H](C)[C@@H](C)NCc1nnc2ccccn12 20185718 BCVCKJNRIKGFEY-WDEREUQCSA-N 232.331 2.254 0 40 BEAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)C)c1 20451900 DZSQGYIKNAWJRY-GFCCVEGCSA-N 235.327 2.467 0 40 BEAB OC1=Nc2n[nH]cc2[C@H](c2cccnc2)SC1 20720468 QZDVMNAZZOUMRA-JTQLQIEISA-N 246.295 2.229 0 40 BEAB CC(=O)c1ccc2ccc(C(C)=O)nc2n1 21995296 QYPPJTQFKVCGQH-UHFFFAOYSA-N 214.224 2.035 0 40 BEAB C[C@H](NC(=O)Nc1ccccc1)[C@H]1CCCO1 32779595 ORVMNWRTDGUJFL-CMPLNLGQSA-N 234.299 2.376 0 40 BEAB CNCc1ccccc1OCC(F)(F)F 34658474 PWKDRZKKTFUCFE-UHFFFAOYSA-N 219.206 2.347 0 40 BEAB CCOc1ccc(CNc2ccn(C)n2)cc1 37560398 LVLAPYKAWNXWNJ-UHFFFAOYSA-N 231.299 2.431 0 40 BEAB Brc1cn2ccnc2s1 39325779 XEEFWBXJKDWNCM-UHFFFAOYSA-N 203.064 2.158 0 40 BEAB COC[C@H](C)NC(=O)c1c(F)cccc1Cl 40042856 KTEKEDXBSKGRIR-ZETCQYMHSA-N 245.681 2.244 0 40 BEAB COCC(=O)N[C@H](C)c1ccc(SC)cc1 40089051 GHMLWSYRQQIHMA-SECBINFHSA-N 239.340 2.232 0 40 BEAB O=C(c1ccco1)N1CCO[C@H]2CCCC[C@@H]21 41194577 FVODVCOPXMIWGK-QWRGUYRKSA-N 235.283 2.063 0 40 BEAB Cc1ccccc1C(=O)C1CCNCC1 41211891 UVTLQLCAYQVEOI-UHFFFAOYSA-N 203.285 2.177 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c2[nH]ncc12 49479919 CUPMVDIXTJVYKA-RKDXNWHRSA-N 229.283 2.466 0 40 BEAB CCc1ccccc1C(=O)CCC(=O)O 52201682 IAZRRWAHLKTDQU-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB CCN(CCOC)Cc1cccc(F)c1 53401480 NGNCPQNNHRHTKN-UHFFFAOYSA-N 211.280 2.294 0 40 BEAB N[C@@]1(C(=O)O)C[C@@H]1c1cccc(Cl)c1Cl 62713044 YNZPPWVXHZCNLB-LDWIPMOCSA-N 246.093 2.263 0 40 BEAB CCOC(Cn1nc(C)c(C)c1C)OCC 66324245 YBUAIBQVUDNKEF-UHFFFAOYSA-N 226.320 2.207 0 40 BEAB CCOc1ccc(-c2ccc(CO)o2)c(N)c1 70461179 LGJIUKHFKYZKSS-UHFFFAOYSA-N 233.267 2.420 0 40 BEAB CNc1ncccc1[C@H]1CCCCN1C 72212551 HMFOOENVYROYNF-LLVKDONJSA-N 205.305 2.280 0 40 BEAB c1cc(C2CCN(c3cnccn3)CC2)ccn1 72381600 HSYIYOBYFTUTNW-UHFFFAOYSA-N 240.310 2.256 0 40 BEAB CC(C)N(Cc1ccccc1)[C@@H]1CCNC1 79437953 CPSVIPMHUOWCOQ-CQSZACIVSA-N 218.344 2.259 0 40 BEAB C[C@H](NN)c1c(F)cccc1C(F)(F)F 84931455 QFGOMSVQJUQHJJ-YFKPBYRVSA-N 222.185 2.369 0 40 BEAB CCOC(=O)CCCc1ccc(C=O)cc1 90471160 CEMKFRKKGZICMS-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB CC(C)C(=O)c1cc2c(nc1N)CCCC2 95098411 GALRVJAIOXMZLT-UHFFFAOYSA-N 218.300 2.381 0 40 BEAB COC(=O)C(=O)c1ccc(Cl)c(Cl)c1 95729504 NUAILWVYGIMNHP-UHFFFAOYSA-N 233.050 2.349 0 40 BEAB N[C@@H]1CCN(Cc2cc(Cl)ccc2F)C1 96523492 CMLICXZTWSTRQQ-SNVBAGLBSA-N 228.698 2.012 0 40 BEAB CC(=O)c1ccc(C(=O)OC2CCOCC2)cc1 97084317 XPRXIYASFKEFHH-UHFFFAOYSA-N 248.278 2.225 0 40 BEAB CCCCOc1ncc(F)c(Cl)n1 97758254 FOPOHOZZPRLBQY-UHFFFAOYSA-N 204.632 2.448 0 40 BEAB COc1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1OC 108019102 HYRHCZXUDHOWNL-GDPRMGEGSA-N 221.300 2.155 0 40 BEAB FC(F)c1cc(Br)ncn1 217644876 BIAGXBPOPTWSDT-UHFFFAOYSA-N 208.993 2.177 0 40 BEAB O=C(O)/C=C/c1nc(Cl)n2ccccc12 225745791 ADAHXFZIEOBFNV-SNAWJCMRSA-N 222.631 2.086 0 40 BEAB COc1ccc2c(c1)nc1n2CCCC1 226251427 JLFYEQCSJNLNRR-UHFFFAOYSA-N 202.257 2.381 0 40 BEAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@H]21 242463631 DGBXKFVUWZAVCW-RULNZFCNSA-N 238.205 2.065 0 40 BEAB COC(=O)C(=O)c1ccc(C)cc1Cl 259963565 BIYGZEQZEPIFOY-UHFFFAOYSA-N 212.632 2.004 0 40 BEAB CC[C@H]1COc2cc(Br)cnc2N1 261507677 LBFXHDJEZAMZEC-ZETCQYMHSA-N 243.104 2.427 0 40 BEAB C[C@H]1NCCn2c(COCC3CCCC3)cnc21 306143264 XXKWOQJYFQMDTK-LLVKDONJSA-N 249.358 2.254 0 40 BEAB Fc1cccc2c1OC1(CCNCC1)CCN2 521396081 UMCTYHXDHUOKEL-UHFFFAOYSA-N 236.290 2.142 0 40 BEAB Nc1cc(O)c(Br)cc1Cl 575720315 UPTVVSVAORUSAQ-UHFFFAOYSA-N 222.469 2.390 0 40 BEAB Cc1ccsc1-c1cnc2n1CCOC2 623284851 BSFOQYDPJLBALN-UHFFFAOYSA-N 220.297 2.450 0 40 BEAB COc1ccc([C@H]2OC(=O)c3ncccc32)cc1 1563681 MGMFIAHXYSCLBM-CYBMUJFWSA-N 241.246 2.350 0 40 BEAB O=C(O)c1ccccc1C(=O)c1ccccn1 1572316 WTUKXPYMQWVXOB-UHFFFAOYSA-N 227.219 2.011 0 40 BEAB O=[P@]1(Nc2ccccc2)NCCCO1 1696500 QTFNRIQXIUESFJ-CQSZACIVSA-N 212.189 2.217 0 40 BEAB Fc1cccc(NCc2cn3cccnc3n2)c1 2615799 GDDSIBHGFZZAKX-UHFFFAOYSA-N 242.257 2.481 0 40 BEAB Cc1nc(SCC(=O)O)nc2ccccc12 3078712 RTLSTBTWHHGAMQ-UHFFFAOYSA-N 234.280 2.115 0 40 BEAB CNC(=S)NNc1ccc(C)c(Cl)c1 3337478 SLGNOSAFMAWOPZ-UHFFFAOYSA-N 229.736 2.069 0 40 BEAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1 4313164 PUINEBBHYSHKBF-SNVBAGLBSA-N 224.691 2.031 0 40 BEAB CCN(CC)C(=O)/C=C/c1ccc(C)o1 5470454 QJUMLZXFYRYSJP-CMDGGOBGSA-N 207.273 2.470 0 40 BEAB CCc1nnc(NC(=O)[C@H]2CC=CCC2)s1 7347825 NEBZAKZWRCPELQ-QMMMGPOBSA-N 237.328 2.395 0 40 BEAB CCC[C@@H]1NC(=O)N(Cc2ccc(C)cc2)C1=O 14736762 ANQXUOWHXHTVMF-LBPRGKRZSA-N 246.310 2.216 0 40 BEAB CC1=N/C(=C\c2cc(F)ccc2F)C(=O)O1 16697700 WXPBRLXDFVOOBC-YHYXMXQVSA-N 223.178 2.281 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc2cn[nH]c12 26870900 SBJOFOGALWNRTD-APPZFPTMSA-N 215.256 2.157 0 40 BEAB COCOc1cc(Br)ccc1C=O 34434752 YFFYGBPVWBYDRM-UHFFFAOYSA-N 245.072 2.244 0 40 BEAB O=C1CN(CC2CC2)C(=O)N1c1ccc(F)cc1 36884827 QLMQTGUNRYIBQH-UHFFFAOYSA-N 248.257 2.004 0 40 BEAB Clc1ccc(CCNCc2cc[nH]n2)cc1 36900126 TVFKMBAWWSHSJL-UHFFFAOYSA-N 235.718 2.395 0 40 BEAB C[C@@H](CNc1nc2ccccc2o1)N(C)C 37985912 DPUPPBGNKJVYEF-VIFPVBQESA-N 219.288 2.190 0 40 BEAB CCC1(N)CCN(C(=O)OC(C)(C)C)CC1 39102772 GJKGQHBSAKUVNM-UHFFFAOYSA-N 228.336 2.125 0 40 BEAB in-vitro COc1ccc([C@]2(C)NC(=O)[C@H](C)S2)cc1 39377186 XTAYNBMLZNSPDT-QPUJVOFHSA-N 237.324 2.119 0 40 BEAB CCCN(CC1CC1)C(=O)Nc1nncs1 43130456 ZOFFGXKLLILEDA-UHFFFAOYSA-N 240.332 2.192 0 40 BEAB COC(=O)CCn1cc(C=O)c2ccccc21 44676230 LOILJMOUXOONPO-UHFFFAOYSA-N 231.251 2.017 0 40 BEAB COc1cccc(CCNCC(F)F)c1 47474232 MIGBFLFGVSNUJK-UHFFFAOYSA-N 215.243 2.092 0 40 BEAB CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 49708373 STCVCYHAQNLPFA-TZMCWYRMSA-N 218.344 2.259 0 40 BEAB in-vitro CC[C@@H](C)C(=O)NCCCN1CCCCCC1 55290053 SWQFQEKTBRNDSX-CYBMUJFWSA-N 240.391 2.415 0 40 BEAB CCCS(=O)(=O)NC1CCCCCCC1 57464762 AFMLGUPDHGJUPC-UHFFFAOYSA-N 233.377 2.429 0 40 BEAB CC[C@@H](C)NC(=S)Nc1cccnc1 57750207 JVJCXCSZTJQVCI-MRVPVSSYSA-N 209.318 2.167 0 40 BEAB CCO[C@@H](CNC)c1ccc(OC)c(OC)c1 62711559 LLUAIAPDXRPAHH-ZDUSSCGKSA-N 239.315 2.001 0 40 BEAB CCC(CC)N[C@H](CO)c1ccccc1 62999396 GKMJEEKUVMDCNJ-CYBMUJFWSA-N 207.317 2.498 0 40 BEAB Cc1ccc2c(ncc3c(=O)o[nH]c32)c1C 64874531 VINHBEGVIPGCRU-UHFFFAOYSA-N 214.224 2.286 0 40 BEAB Cc1cc(C(=O)Oc2ccccc2)cc(=O)o1 68719623 DQQOKAABNRSAJD-UHFFFAOYSA-N 230.219 2.167 0 40 BEAB COc1ccc(CN[C@H](C)c2nccn2C)cc1 70443331 CZTLCGSTSPCWKW-LLVKDONJSA-N 245.326 2.280 0 40 BEAB O=C(O)c1ccn(Cc2ccccc2Cl)n1 70707398 MLPUCXQCGAKTDM-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB COc1ccc(OC)c(C(=O)OCC(F)F)c1 71803579 ZHSAYNNLOPXXAH-UHFFFAOYSA-N 246.209 2.126 0 40 BEAB O=C(c1ccon1)N1CC[C@H]2CCCC[C@@H]21 72057291 ZZSDUACRBVLCLG-KOLCDFICSA-N 220.272 2.079 0 40 BEAB CNc1ccc([C@@H]2CCCCN2C=O)c(C)n1 72219132 BYMMPJAQMVAYSY-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cccs1 72324618 AUFZOEMMLVUAKW-NEPJUHHUSA-N 236.384 2.417 0 40 BEAB CCOC(=O)c1cc(Cl)c2[nH]cnc2c1 73633881 HMUKRCIXTWHALK-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB CCC(=O)NCCNc1ccc2ccccc2n1 78807287 KSMBDUBBKBQOJE-UHFFFAOYSA-N 243.310 2.173 0 40 BEAB CCCN(C)C[C@@H]1CCN(Cc2ccncc2)C1 79014966 IVPPKMKBFCXONL-HNNXBMFYSA-N 247.386 2.245 0 40 BEAB N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 82826987 YPAVREJLUGPBDD-NSHDSACASA-N 249.264 2.487 0 40 BEAB C[C@@H](O)CN[C@H]1CCC[C@H](C(F)(F)F)C1 82862790 KIHJYZNMFHGRAU-VGMNWLOBSA-N 225.254 2.078 0 40 BEAB O=C(O)C1(c2ccnc3ccccc23)CC1 83298112 DQQJOXMSUIXENC-UHFFFAOYSA-N 213.236 2.351 0 40 BEAB in-vitro Cc1cccc(-c2nnc(C(=O)O)s2)c1 83304387 MJWGXFFSMFVOPL-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB C[C@H]1C(=O)Nc2ccc(-c3csc(N)n3)cc21 85002884 PNFNFZMBTKZVQC-ZCFIWIBFSA-N 245.307 2.448 0 40 BEAB COC(=O)C[C@]12CC[C@](C)([C@@H](O)C1)C2(C)C 85398803 QSMUFBCONLGVEU-BIMULSAOSA-N 226.316 2.127 0 40 BEAB O=Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2 91252157 WQTQOBVIERTDBA-UHFFFAOYSA-N 236.120 2.456 0 40 BEAB O=C1Nc2cc(Cl)ccc2C1(F)F 91692348 YKMPOQLLXKHRPJ-UHFFFAOYSA-N 203.575 2.384 0 40 BEAB Clc1ccccc1CN[C@@H]1CCCNC1 95147663 RXKYZEJFHGSJSE-LLVKDONJSA-N 224.735 2.182 0 40 BEAB COC(=O)c1nc(Cl)c2sccc2n1 95830762 FVJHQTIEVGKCCG-UHFFFAOYSA-N 228.660 2.131 0 40 BEAB COc1cc(OC)cc(C(=O)C(F)F)c1 95916745 PCHGCQAGYZWEEX-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB CN(CCCn1ccnc1)CC1CCC1 95984099 WUCVGEAYAYQKOW-UHFFFAOYSA-N 207.321 2.005 0 40 BEAB c1ccc(-n2ncnc2[C@H]2CCCCN2)cc1 96524337 HTDZCXQQSNLQTG-GFCCVEGCSA-N 228.299 2.082 0 40 BEAB c1cc2c(s1)CCN[C@@H]2COCC1CC1 96526594 HWVGGMRNIODNRW-LLVKDONJSA-N 223.341 2.362 0 40 BEAB O=[S@@](CCO)[C@@H]1CCc2c(Cl)cccc21 97046690 NKWTVLVMSIYANC-IAQYHMDHSA-N 244.743 2.068 0 40 BEAB CC(=O)NCCCOc1cccc(C)c1F 97054564 WJQPAGMRVHVMIQ-UHFFFAOYSA-N 225.263 2.039 0 40 BEAB CC(C)c1ccc(N2C(=O)[C@@H]3C[C@H]3C2=O)cc1 100935610 OTHLLNJMIBXXIT-VXGBXAGGSA-N 229.279 2.319 0 40 BEAB COc1ccc2c(C=O)cn(C(C)=O)c2c1 199736148 VPNSONRJUPGASD-UHFFFAOYSA-N 217.224 2.123 0 40 BEAB Cn1cc(-c2ccc([C@@H]3CCCCN3)cn2)cn1 205677044 RZUNFFQPLXSZQV-ZDUSSCGKSA-N 242.326 2.297 0 40 BEAB COC(=O)c1cc(C)n(Cc2cccnc2)c1C 223700111 WZZLCEXIDFXOBQ-UHFFFAOYSA-N 244.294 2.335 0 40 BEAB C[C@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](CN)[C@@H]12 225761617 ULMGXBABGMHAEG-RXKWGBCNSA-N 237.265 2.185 0 40 BEAB COC(=O)c1c[nH]c2cc(F)cc(F)c12 238336391 DDUDUJPRPIWKQI-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 242543440 KAAUCJZOUPNSRN-ZTYPAOSTSA-N 205.179 2.350 0 40 BEAB O=C(c1cncc(F)c1)N1Cc2ccccc2C1 253472228 KLERJXOGQJNYQT-UHFFFAOYSA-N 242.253 2.377 0 40 BEAB CCOC(=O)c1cc(-c2cc(C)ccn2)on1 260072154 BOUUBUUVCOOMLF-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB CCC[C@@H](CC(=O)O)NC(=O)/C=C(\C)C1CC1 585139818 FSYMCYCXWUJUSN-DJYGCBNOSA-N 239.315 2.102 0 40 BEAB Cc1cc(OC2CCCC2)n2nccc2n1 585653876 AKVMIDPBSVKONO-UHFFFAOYSA-N 217.272 2.359 0 40 BEAB Cn1nccc1-c1cc(N)c2ccccc2n1 725257009 FBUJTBWTWCTYEV-UHFFFAOYSA-N 224.267 2.218 0 40 BEAB CN(C)S(=O)(=O)c1ccc2ccsc2c1 1772715001 MFEBYZYXRUOTRJ-UHFFFAOYSA-N 241.337 2.152 0 40 BEAB CC(C)C(=O)Nc1ccnc(-c2cccnc2)n1 1403185 STCKPKFVPSGDJE-UHFFFAOYSA-N 242.282 2.133 0 40 BEAB CN1C(=O)c2cccnc2Nc2ccccc21 1403731 ONUDKSCEPDVUPP-UHFFFAOYSA-N 225.251 2.415 0 40 BEAB O=C(O)c1cc(-c2cc(F)cc(F)c2)on1 1442957 LBDHRKQMMXWKFA-UHFFFAOYSA-N 225.150 2.318 0 40 BEAB CCCCCCC(=O)OCCN(C)C 1736030 SDHJNSJCOUWATD-UHFFFAOYSA-N 201.310 2.062 0 40 BEAB CCCc1nc2[nH]nc(N)c2c2c1CCCC2 4009228 ILRBNIWYTJOMCX-UHFFFAOYSA-N 230.315 2.371 0 40 BEAB CC(=O)OCC(C)(C)[C@H](OC(C)=O)C(C)C 5457716 AVQIDJASTVSUMQ-LLVKDONJSA-N 230.304 2.163 0 40 BEAB Fc1ccccc1Nc1ncnc2[nH]ncc12 11856414 MEYYGZBRFGDWPZ-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB in-vitro CCc1cc(=O)[nH]c(Nc2cc(C)ccc2O)n1 11991414 MIQMKMLUUKMUQI-UHFFFAOYSA-N 245.282 2.090 0 40 BEAB CC1=C[C@@H](c2ccccc2)N2N=NNC2=N1 13122855 IDMQIZDTPHMAHG-JTQLQIEISA-N 213.244 2.189 0 40 BEAB C[C@@H](Oc1ccc(Cl)cc1)C(=N)NO 18059156 BXXLUKBAGKCLDB-ZCFIWIBFSA-N 214.652 2.063 0 40 BEAB Nc1ccc(OC(F)F)c2ncccc12 19772685 IRUAVMYTXAUCEZ-UHFFFAOYSA-N 210.183 2.418 0 40 BEAB in-vitro Cc1ccc(CN[C@@H](C(=O)O)C(C)C)cc1 19787739 XWDMATYLELXQKK-GFCCVEGCSA-N 221.300 2.194 0 40 BEAB O=Cc1c(Cl)cccc1-n1ccnc1 20079199 VECQBFBIYHJZDV-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB CCN(CC)C(=O)c1ccc(Cl)cc1N 20156113 UOWXMPFGGZIDTH-UHFFFAOYSA-N 226.707 2.404 0 40 BEAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(F)cc1 20312857 ZYWAEVFTLQMIAG-SNVBAGLBSA-N 238.306 2.398 0 40 BEAB CCn1ccc(CNCc2cccc(F)c2)n1 20349103 CPFLAGQPOVZEIQ-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB C[C@@H](CNCc1ccccc1)N1CCCC1 22073566 XFAFMLBPIGURDY-ZDUSSCGKSA-N 218.344 2.261 0 40 BEAB CC[C@](C)(C(=O)OC)N1CCC(C)CC1 22123478 VXUVXYLGQNSDNZ-GFCCVEGCSA-N 213.321 2.060 0 40 BEAB CNc1snc(C)c1C(=O)N1CCCCC1 27337236 QKOPNRRYWPDQAZ-UHFFFAOYSA-N 239.344 2.119 0 40 BEAB CCN(CC)C(=O)c1ccn(C2CCCC2)n1 32648275 LMVSDIPVMKMQKV-UHFFFAOYSA-N 235.331 2.480 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCC(C)CC2)n1 32873732 DQLXXPXZJKREFD-UHFFFAOYSA-N 249.358 2.149 0 40 BEAB Nc1sc2c(c1C(=O)c1ccccn1)CCC2 33966882 FDXVPEXNMYDNHP-UHFFFAOYSA-N 244.319 2.445 0 40 BEAB Cc1cc(C(=O)NCCc2ccsc2)on1 36391222 JCOFOMBLUBHQKJ-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB FC(F)CNC(=S)Nc1ccccc1 36611951 NIOXOUYCZTVHBD-UHFFFAOYSA-N 216.256 2.238 0 40 BEAB Cc1n[nH]c(C)c1CNCCc1ccc(F)cc1 36864504 VQROJYOFQGOIPG-UHFFFAOYSA-N 247.317 2.498 0 40 BEAB Clc1cc(NCc2ccccn2)ncn1 40431930 HQICJAWYXYSFHL-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB CCOC(=O)c1cccc2ncsc12 45235836 CCBMSBOPYYNCRL-UHFFFAOYSA-N 207.254 2.473 0 40 BEAB CC(C)N1CC[C@H](NCCc2ccccc2)C1 45650323 LYSFMBILQUBYDJ-HNNXBMFYSA-N 232.371 2.301 0 40 BEAB NC(=O)[C@H](NC[C@H]1CC=CCC1)c1ccccc1 49283080 JFKHXPUEBHNNOM-GXTWGEPZSA-N 244.338 2.159 0 40 BEAB COC[C@H](C)Nc1cccc(Cn2cccn2)c1 53174294 YKEXLMDTJCWFMZ-LBPRGKRZSA-N 245.326 2.378 0 40 BEAB C[C@@H](c1cccc(Cl)c1)N(C)CCN 54416972 OFRYUUCOXKWPLM-VIFPVBQESA-N 212.724 2.292 0 40 BEAB CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 69553823 MWOMAVYZRMNVDD-BDAKNGLRSA-N 245.319 2.401 0 40 BEAB C[C@H](CO)CSCc1nnc(C(C)(C)C)o1 75148450 VSGBEDGHDFBZCN-MRVPVSSYSA-N 244.360 2.229 0 40 BEAB COC(=O)c1ccc2cc(C=O)ccc2c1 75623450 RHOUYXUGJXVYJF-UHFFFAOYSA-N 214.220 2.439 0 40 BEAB CCCCOCC(=O)Nc1ccc(O)cc1C 76084410 QPCZKQFOPMDBHQ-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB COC(=O)/C=C\c1cccc2cc[nH]c12 77020726 XOLBSBOCRAAKLU-WAYWQWQTSA-N 201.225 2.354 0 40 BEAB CN(Cc1ccccc1)C(=O)C1(O)CCCCC1 79067232 YPMGVGMNXXXVSP-UHFFFAOYSA-N 247.338 2.340 0 40 BEAB C[C@@H]1CCN(C(N)=O)[C@H]1c1cccc(F)c1 81674362 PLCNIXHLUKKDQB-LDYMZIIASA-N 222.263 2.287 0 40 BEAB COc1cc(CCC(=O)O)ccc1Cl 82164122 UPDMPFIWZPUFKG-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB CCc1cc2c(=O)[nH]c(CC3CC3)nc2s1 90066164 VZNKUXKNGHHWPA-UHFFFAOYSA-N 234.324 2.500 0 40 BEAB Cn1cc(Br)c(C(F)F)n1 91301391 VXYWCTANPTZYGM-UHFFFAOYSA-N 211.009 2.120 0 40 BEAB in-vitro CCN1Cc2c(Br)cccc2C1=O 95097323 WAKIQYHEQWWJHN-UHFFFAOYSA-N 240.100 2.425 0 40 BEAB Cc1cc(COC(=O)[C@@H]2C[C@H]2c2ccco2)on1 95956281 WMTUWMBEHGCGAV-GHMZBOCLSA-N 247.250 2.423 0 40 BEAB COc1cc(N)ccc1-c1c(C)n[nH]c1C 96113705 VZAKQTFRRDWCCK-UHFFFAOYSA-N 217.272 2.284 0 40 BEAB CCCCCN1CC(=O)N[C@@H]1c1ccsc1 96500003 VCEXSDWFXZYNGR-LBPRGKRZSA-N 238.356 2.369 0 40 BEAB O=c1cn[nH]c2cc(Cl)c(Cl)cc12 142050732 ZIVIXYFVDXXKCJ-UHFFFAOYSA-N 215.039 2.230 0 40 BEAB c1ccc(CCN2CCN[C@H]3CCC[C@@H]32)cc1 225715360 YOPZJKSQSZBINE-GJZGRUSLSA-N 230.355 2.055 0 40 BEAB CCCc1nc(Cl)ccc1C(=O)OC 225734440 WYNIVKAEIWVXNU-UHFFFAOYSA-N 213.664 2.474 0 40 BEAB CC[C@H]1CC[C@H](C(=O)NCCC(C)(C)O)CC1 252536291 IBQRMAYOXOSGMC-HAQNSBGRSA-N 241.375 2.480 0 40 BEAB CCCn1cc(CNCCCOCC)c(C)n1 256049780 BKAZRKYONQOJAI-UHFFFAOYSA-N 239.363 2.118 0 40 BEAB COC(=O)c1ccc(C(=O)C(F)(F)Cl)cc1 390492673 QALCAFUILSNGOU-UHFFFAOYSA-N 248.612 2.488 0 40 BEAB NNc1ncnc2c1[nH]c1ccc(Cl)cc12 408712501 XHSWAXUFPMDYST-UHFFFAOYSA-N 233.662 2.050 0 40 BEAB CC(C)[C@@H](C(=O)c1ccc2c(c1)OCO2)N(C)C 575419575 SZMQLCSYJQIPAH-ZDUSSCGKSA-N 249.310 2.184 0 40 BEAB in-vitro COC(=O)C[C@H]1COc2cc(Cl)ccc21 585656395 UJRHCGZDUKQDRF-ZETCQYMHSA-N 226.659 2.379 0 40 BEAB COc1ccc2[nH]c3c(c2c1)CNC=C3 642880838 HSJDTEJOOZIFDU-UHFFFAOYSA-N 200.241 2.250 0 40 BEAB Cc1c(C(=O)O)ncc(Cl)c1Cl 1857778631 CKRGRLVRPJRRHS-UHFFFAOYSA-N 206.028 2.395 0 40 BEAB Fc1ccc(CNc2ncnc3[nH]cnc23)cc1 40547 RTDOAIHBIBHEJA-UHFFFAOYSA-N 243.245 2.104 0 40 BEAB CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 345789 ISECDCWBPMVGJG-RYUDHWBXSA-N 247.294 2.213 0 40 BEAB CCN(C(=O)[C@H]1CCCO1)C1CCCCC1 617915 MYMIAJDRJUSXKV-GFCCVEGCSA-N 225.332 2.347 0 40 BEAB CN(C)c1ccc(N2CC(C)(C)C2=O)cc1 1387688 OQKOROJKFUJBJZ-UHFFFAOYSA-N 218.300 2.125 0 40 BEAB CCCCCC[C@@H]1OC[C@@H](COC)O1 1602681 NTOFFMMZFVBZAY-GHMZBOCLSA-N 202.294 2.345 0 40 BEAB CCCCN(CCCC)S(=O)(=O)CC 1732373 HLLDVOYKVGFRGU-UHFFFAOYSA-N 221.366 2.238 0 40 BEAB CCOCC(=O)Nc1cc(C)ccc1C 2069473 CCSVDTLEDYNLGY-UHFFFAOYSA-N 207.273 2.278 0 40 BEAB CC(C)[C@H](N)c1ccc2c(c1)OCCO2 4206724 XEPNGVDTSFPMME-LBPRGKRZSA-N 207.273 2.114 0 40 BEAB in-vitro COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[C@@H]1O 4720850 JZGHKVCLIIIGNI-IHRRRGAJSA-N 248.322 2.494 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1nc2ccccc2[nH]1 6647849 AUVAPUVVWIDTTM-HTQZYQBOSA-N 215.256 2.157 0 40 BEAB CCNC(=O)c1cnn(-c2ccccc2C)c1C 6773993 ZMDIIBNLPJSMNR-UHFFFAOYSA-N 243.310 2.239 0 40 BEAB COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 12341774 LQCLLWWODNPCCK-YFHOEESVSA-N 249.291 2.361 0 40 BEAB O=C(O)c1ccc(Cn2cc(Cl)cn2)s1 12357612 VPMAATJOBGLUDT-UHFFFAOYSA-N 242.687 2.345 0 40 BEAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C 17045383 ICRINYJHBYGDKB-UHFFFAOYSA-N 245.307 2.392 0 40 BEAB Cc1c(CN2CCC(O)CC2)[nH]c2ccccc12 19565903 DJHLFFUEIVHQLB-UHFFFAOYSA-N 244.338 2.433 0 40 BEAB Cn1cc(CNc2cc(F)cc(F)c2)cn1 20075202 SZXCPLUNZBIPNU-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB C[C@H](c1ccccc1)n1c(N)cc(=O)[nH]c1=S 22637708 JJGAMWNEQHQICU-MRVPVSSYSA-N 247.323 2.097 0 40 BEAB CONC(=O)c1nc(-c2ccco2)sc1C 30867001 BADLSOPHRRHBGZ-UHFFFAOYSA-N 238.268 2.003 0 40 BEAB O=C(Nc1nccs1)c1ccc2c(c1)CCO2 32795170 PTONUNDBGQCDJK-UHFFFAOYSA-N 246.291 2.330 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 32907081 CNPUNKIUFHUBDA-HZMBPMFUSA-N 245.322 2.247 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N(C)[C@@H](C)C1CC1 32907093 CJVHBYDXCYAVFA-VIFPVBQESA-N 249.310 2.127 0 40 BEAB Cc1cc(N2CCNCC2)c2cccc(C)c2n1 37408005 TYSPYWIQYVYOIU-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB CCOC(=O)c1c(OCC)ccnc1Cl 38538092 YJRAXXFDDAXRBD-UHFFFAOYSA-N 229.663 2.310 0 40 BEAB CCONC(=O)c1cc(C)c(CC)s1 40049098 PLQMBOPRBHSOLX-UHFFFAOYSA-N 213.302 2.300 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1 40457425 SSVHQJDZKYMPPD-SKDRFNHKSA-N 221.275 2.140 0 40 BEAB CC(C)CSCCC(=O)N1CCCC1 40523660 KMHSOKZNSZMGRS-UHFFFAOYSA-N 215.362 2.388 0 40 BEAB Clc1cccc(CNCc2cc[nH]n2)c1 41014453 VUASYNVHTLXRGY-UHFFFAOYSA-N 221.691 2.353 0 40 BEAB NC(=O)c1cc(N)ccc1Nc1ccccc1F 41081668 VRAYBPDYAGXQLL-UHFFFAOYSA-N 245.257 2.250 0 40 BEAB Cc1cc(OC2CNC2)ccc1C(C)C 42770054 LHZAUYULHBSIQU-UHFFFAOYSA-N 205.301 2.469 0 40 BEAB COc1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775207 BFZCDKCGQBYEBW-SECBINFHSA-N 227.691 2.089 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1F 45293367 CGUXFWWFPRLSKX-KOLCDFICSA-N 221.275 2.140 0 40 BEAB NNc1cc(NCc2ccccc2Cl)ncn1 45918597 VWPDOSXCHWWXAA-UHFFFAOYSA-N 249.705 2.028 0 40 BEAB Cn1c(C(=O)NCC2CC2)cc2ccccc21 48792821 QJGBCPPXMDSSIZ-UHFFFAOYSA-N 228.295 2.318 0 40 BEAB Cc1cc(F)ccc1CN1CCC(CN)CC1 50580329 MUFSSIRXIHFBGN-UHFFFAOYSA-N 236.334 2.305 0 40 BEAB Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cnn1C 58290936 BWOJCSAHYVCLNS-ZWNOBZJWSA-N 249.358 2.379 0 40 BEAB Cc1ccc(/C=C2\SC(=N)NC2=O)c(C)c1 59566256 PYHULSBLEABOBK-POHAHGRESA-N 232.308 2.442 0 40 BEAB CCCC[C@@H](CC(O)O)C(F)(F)F 64220324 OGSSTWWGBFIWED-LURJTMIESA-N 200.200 2.056 0 40 BEAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccncc2)c1 69453450 XPQZZFUTIBSXCA-CHWSQXEVSA-N 244.342 2.326 0 40 BEAB Cc1cccc(C2(C(=O)Nc3cn[nH]c3)CC2)c1 71822692 PZPQBXFLGVWPME-UHFFFAOYSA-N 241.294 2.388 0 40 BEAB CN(C)c1ncccc1C1=NCCCC1 72212667 GKASRTRJHWDBDS-UHFFFAOYSA-N 203.289 2.121 0 40 BEAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCCCC1 76938310 VDPJEVYFQHDOKY-CYBMUJFWSA-N 249.285 2.142 0 40 BEAB C1CC[C@H](c2nc(C3CCC3)no2)NC1 83120098 ZFPVBLUCIBUVRG-SECBINFHSA-N 207.277 2.152 0 40 BEAB CC(C)(C(N)=O)c1ccc(OC(F)F)cc1 89261724 QKUVMIZPWAZICX-UHFFFAOYSA-N 229.226 2.051 0 40 BEAB NC1(CC(=O)Nc2cc(F)cc(F)c2)CCC1 94293475 MDSZNGIOYIVQKN-UHFFFAOYSA-N 240.253 2.175 0 40 BEAB CCOC(=O)Cc1ccc(N)cc1Cl 95914978 FEHGDBZUKAEGSO-UHFFFAOYSA-N 213.664 2.028 0 40 BEAB COCc1nsc(N2[C@H](C)CC[C@H]2C)n1 95978565 JLPOSRJRZSEDSJ-HTQZYQBOSA-N 227.333 2.062 0 40 BEAB Cc1ccc(C(=O)Nc2cnccc2CO)cc1 95992210 STRUXUBDXQPVJR-UHFFFAOYSA-N 242.278 2.135 0 40 BEAB CC[C@@H]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228305 KPHBFEWYDGQDKB-MROQNXINSA-N 209.333 2.092 0 40 BEAB CC[C@H](C)CC(=O)Nc1ccsc1C(N)=O 225405513 UPQNAJXRJOULAN-ZETCQYMHSA-N 240.328 2.222 0 40 BEAB CCc1ccc(-c2n[nH]c(N)c2CC)[nH]1 225970977 FOCDQUPHRICAGO-UHFFFAOYSA-N 204.277 2.112 0 40 BEAB CCNCCO[C@H]1CC[C@@]12CCC21CC1 242437346 BZVWUBCXQPNHJR-WCQYABFASA-N 209.333 2.335 0 40 BEAB Cc1cc(-c2cccc(C3CCNCC3)n2)[nH]n1 257286879 PNLMBPTYZGMSSG-UHFFFAOYSA-N 242.326 2.247 0 40 BEAB CC(C)(C)OC(=O)NC1CC2(CCCNC2)C1 306697517 ZOKFNVCLLHRJIU-UHFFFAOYSA-N 240.347 2.043 0 40 BEAB Cc1csc(C(=O)N2CC(CF)C2)c1 335429127 UDLLXYXBWNQIOS-UHFFFAOYSA-N 213.277 2.098 0 40 BEAB Cc1cc(F)ccc1N[C@H](C)c1cn(C)nn1 715860657 QFGWSOOYHNDXTA-SECBINFHSA-N 234.278 2.436 0 40 BEAB CO[C@H](CNc1ncc(F)cn1)c1ccco1 1775970158 DSDHEYDGGUXYPJ-SNVBAGLBSA-N 237.234 2.008 0 40 BEAB Nc1cc(-c2cc3ccccc3cn2)no1 1857794359 LTBSDOXRSINMFY-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB CC(=C/C(=O)O)/C=C/c1ccc2c(c1)OCO2 517959 WFBLTWGKKQPNHH-KRIUCBPDSA-N 232.235 2.459 0 40 BEAB biogenic CC(=O)NC(=S)Nc1ccc(C)c(Cl)c1 1003712 CQDXEMNQRVBBDR-UHFFFAOYSA-N 242.731 2.481 0 40 BEAB CCCC(=O)N1CCC(=O)Nc2ccccc21 1065860 QRMLHEQFGXLQGY-UHFFFAOYSA-N 232.283 2.162 0 40 BEAB CCC(=O)Nc1cc(C)c(NC(=O)C(C)C)cn1 1358283 MRJYNOLQPDOQEA-UHFFFAOYSA-N 249.314 2.333 0 40 BEAB COc1ccc([C@H]2OC[C@H](C)O2)cc1OC 1677000 RTGAEOYQOMUCLS-UFBFGSQYSA-N 224.256 2.138 0 40 BEAB CC[C@@](C)(O)[C@@H](C(=O)O)C1CCCCC1 1733965 MUOCGNVVTYEQPL-ZYHUDNBSSA-N 214.305 2.429 0 40 BEAB Cc1cccc(OC[C@@H](O)CNC2CCCC2)c1 2701420 XYKPJXMVYVLPJN-AWEZNQCLSA-N 249.354 2.267 0 40 BEAB Cn1cc(C(=O)N2CCCC2)c2ccccc21 4054175 YVDDBDUTVXISBZ-UHFFFAOYSA-N 228.295 2.414 0 40 BEAB c1cc(N2CCCC2)nnc1N1CCCCCC1 4941024 SXTHNJDGTWGYOG-UHFFFAOYSA-N 246.358 2.457 0 40 BEAB CCS[C@@H](O)C(Cl)(Cl)Cl 5598941 ODYGLKJCCFJTDE-GSVOUGTGSA-N 209.525 2.428 0 40 BEAB C[C@@H](O)CNc1nc(Cl)nc2ccccc12 11756469 LKHJLQFUNUCSQZ-SSDOTTSWSA-N 237.690 2.076 0 40 BEAB CN(C)[C@H](C(=O)O)c1ccccc1Cl 16873056 LIXFURHZDYVNLV-VIFPVBQESA-N 213.664 2.027 0 40 BEAB in-vitro N=C(N)c1ccnc(Oc2ccccc2)c1 19441151 AGOHAJRFQSTHTH-UHFFFAOYSA-N 213.240 2.158 0 40 BEAB FC(F)(F)CNCc1ccc2c(c1)OCCO2 20084410 BPEWMCKHTDGLLB-UHFFFAOYSA-N 247.216 2.110 0 40 BEAB in-vitro Nc1cc(NC(=O)C2CCC2)ccc1F 20157444 QDGXRNOPFBCGFB-UHFFFAOYSA-N 208.236 2.147 0 40 BEAB CCCOc1ccccc1OCC(=O)OC 20297299 XWVCOFCRXAQQRK-UHFFFAOYSA-N 224.256 2.027 0 40 BEAB CCn1cc(NCc2cccn2C)c(C)n1 20351789 RLIIXTRTANGVEB-UHFFFAOYSA-N 218.304 2.162 0 40 BEAB O=C(O)C(=O)c1c[nH]c2cc(Cl)ccc12 26461929 OLZDVSJNJRPDKW-UHFFFAOYSA-N 223.615 2.089 0 40 BEAB CCOC(=O)CCc1ccccc1OC 32145249 NSYRTEICIYAZDK-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB Cn1cccc1C(=O)NCCSC(C)(C)C 33628329 SXGOEIWGAPWBRR-UHFFFAOYSA-N 240.372 2.287 0 40 BEAB Cc1ncc(-c2cccc(O)c2)cc1N 35570496 AAZVBWFRIKZWFH-UHFFFAOYSA-N 200.241 2.345 0 40 BEAB CCC[C@H](C(=O)OC)N1CCC[C@H](C)C1 36128005 KXYNBVINDFDWQW-WDEREUQCSA-N 213.321 2.060 0 40 BEAB O=C(O)c1csc(-c2ccc(O)cc2)n1 36893219 YSKMZPAUCUGNFT-UHFFFAOYSA-N 221.237 2.214 0 40 BEAB C[C@H](O)Cc1ccc(Br)cc1 37464625 PTJSRXRFTTYPFF-ZETCQYMHSA-N 215.090 2.372 0 40 BEAB CCC[C@@H](CC(=O)O)NC(=O)c1ccccc1 39289772 RPIHURPGNGHLBO-NSHDSACASA-N 235.283 2.060 0 40 BEAB CC[C@H]1CN(C(=O)c2ccc(C)s2)CCO1 40062974 UUTYVTJEFJQVRH-JTQLQIEISA-N 239.340 2.308 0 40 BEAB CC(C)(NS(C)(=O)=O)c1cccc(Cl)c1 41531926 CROAFNPYJRJWQX-UHFFFAOYSA-N 247.747 2.124 0 40 BEAB Fc1cccc(F)c1COC[C@H]1CCNC1 42773975 TUHREEQQBCTELA-VIFPVBQESA-N 227.254 2.091 0 40 BEAB CC(C)=CCN(C[C@H]1CCOC1)C1CC1 46092853 VZRGFUKIXJFDLZ-GFCCVEGCSA-N 209.333 2.454 0 40 BEAB Cc1ccsc1CNC(=O)Nc1cn[nH]c1 46987396 LABKLJBXPGVBIM-UHFFFAOYSA-N 236.300 2.101 0 40 BEAB CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC(C)C 68334639 IVZCPOVMYHCTIT-NWDGAFQWSA-N 228.380 2.268 0 40 BEAB CC(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 71902929 FAINOKJHGNPYSO-STQMWFEESA-N 219.284 2.123 0 40 BEAB C[C@H](N)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208703 UHURVYQOXPFTNJ-VHSXEESVSA-N 228.336 2.123 0 40 BEAB O=C([C@@H]1CCCN1)N1CCC[C@@]2(CC=CCC2)C1 76091287 RNEASRJLUAQTHY-ZFWWWQNUSA-N 248.370 2.087 0 40 BEAB NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 76939800 MBNFAZWNZIQYFM-NTSWFWBYSA-N 213.639 2.068 0 40 BEAB CC[C@H]1c2ccccc2CCN1C(=O)CCCN 83888230 RCSRWEBWBOJFGT-AWEZNQCLSA-N 246.354 2.261 0 40 BEAB COc1cccc(C(=O)N2CCCCCCC2)n1 84060057 IWAFDOSEUXIREG-UHFFFAOYSA-N 248.326 2.497 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@H](c2ccccc2Cl)O1 85394734 NFZQACJEHJLFGG-XCBNKYQSSA-N 240.642 2.029 0 40 BEAB CCCc1[nH]nc2ccc(C(=O)O)cc12 89195895 NYATZKHOQZWOJM-UHFFFAOYSA-N 204.229 2.214 0 40 BEAB Cc1nccn1CCCN(C)Cc1ccccn1 91689027 QFVMTYDIIQPPAH-UHFFFAOYSA-N 244.342 2.109 0 40 BEAB Cc1c(CCNC[C@@H]2CC=CCC2)cnn1C 95434131 UBNCMUSIGUAEDI-CYBMUJFWSA-N 233.359 2.217 0 40 BEAB CC(C)(F)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 95802991 RNHJCMLXWLYJPF-SSDOTTSWSA-N 249.282 2.103 0 40 BEAB CC(=O)Nc1ccnc(Cc2ccccc2)n1 95983608 OEPRVBAROVTNAF-UHFFFAOYSA-N 227.267 2.026 0 40 BEAB CCC[C@H](C)NC(=O)NCc1cc(CC)no1 96421393 BTGCSTUBMVGJRR-VIFPVBQESA-N 239.319 2.225 0 40 BEAB C[C@@H](CC(N)=O)N[C@H]1CC[C@H](C)c2ccccc21 96486253 IBTZBNVEJUCUQT-MJVIPROJSA-N 246.354 2.479 0 40 BEAB C[C@@H](c1ccccc1)[C@@H](C)NCC1OCCO1 97110050 DVXLKOJXWAFTKD-VXGBXAGGSA-N 235.327 2.141 0 40 BEAB CCCc1nnc(NCc2cccnc2)o1 97231392 PPBKVAZEHGWAEQ-UHFFFAOYSA-N 218.260 2.029 0 40 BEAB C[C@@]12C[C@H](NC(=O)N1)c1cc(Cl)ccc1O2 100383664 PQEUXWPZCHVGEW-GZMMTYOYSA-N 238.674 2.193 0 40 BEAB Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)no1 102873533 HZKXLFNCQIAVIA-LBPRGKRZSA-N 234.299 2.388 0 40 BEAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1 135806393 KMBYZBYRJLMRAY-WUHRBBMRSA-N 243.306 2.017 0 40 BEAB NN[C@@H](c1ccccc1)c1ccccc1F 161783518 VXYPEOFJWXPOGZ-ZDUSSCGKSA-N 216.259 2.378 0 40 BEAB C=C[Sn]CCCC 195751809 CUALHXSYIVGILB-UHFFFAOYSA-N 202.873 2.053 0 40 BEAB c1ccc(CCN2CCN[C@@H]3CCC[C@H]32)cc1 218840481 YOPZJKSQSZBINE-HUUCEWRRSA-N 230.355 2.055 0 40 BEAB CCOc1nn(C)c2ccc(S)cc12 225774052 QBDHEZTXLIPTNA-UHFFFAOYSA-N 208.286 2.261 0 40 BEAB CCCCn1c(C=O)ccc1CCOC 226030539 OIRFPLFPEMNMAH-UHFFFAOYSA-N 209.289 2.290 0 40 BEAB C[C@@H]1N(C[C@@H](O)c2ccccc2)CCOC1(C)C 390833704 LSRAPHGEJHPBGW-GXTWGEPZSA-N 249.354 2.219 0 40 BEAB CCOC(=O)c1sc(N)cc1C1CC1 1535545219 WSEWBEORMIZVAA-UHFFFAOYSA-N 211.286 2.384 0 40 BEAB Cc1ncn(-c2ccc(F)c(Cl)c2)n1 2362803622 QVZIRRDMIPUIFE-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB CC[C@H](C)NC(=O)c1ccccc1OC 290241 KGPHPTSJCDCHNY-VIFPVBQESA-N 207.273 2.224 0 40 BEAB OC[C@@H]1CCc2[nH]c3ccccc3c2C1 393350 MZOHGRLIWWBKAN-SECBINFHSA-N 201.269 2.265 0 40 BEAB COc1cc([C@@H]2OCC[C@H](C)O2)ccc1O 1676490 ZVJUAEJHNVXHHC-QPUJVOFHSA-N 224.256 2.225 0 40 BEAB CC(=O)O[C@@]1(C)N=NC2(CCCCC2)O1 5641315 ANHAXLUSWJFDQE-SECBINFHSA-N 212.249 2.366 0 40 BEAB in-vitro CCc1n[nH]c(SCC(=O)c2ccccc2)n1 5686695 WIMGAAHRMDTDAE-UHFFFAOYSA-N 247.323 2.342 0 40 BEAB O=C(O)c1cnn(Cc2ccccc2Cl)c1 7989016 CUDHNDFUGXHTRN-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CC(C)(CN[C@@H]1C=Cc2ccccc21)C(=O)O 8730697 CZDIPJJBBYVXPS-GFCCVEGCSA-N 231.295 2.455 0 40 BEAB CON(C)C(=O)COc1ccc2ccccc2c1 12869216 WWHZSGWZISIACF-UHFFFAOYSA-N 245.278 2.238 0 40 BEAB Cc1csc(NC(=O)c2ccoc2)n1 13019855 LVFGRATXTJNXKA-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB CCCCC(=O)c1ccc(OCCO)cc1 19075589 FHVWBALYBOQNER-UHFFFAOYSA-N 222.284 2.431 0 40 BEAB C[C@@H](CCc1ccc(OC(F)F)cc1)NN 19399444 IDGSUKWULMFTSI-QMMMGPOBSA-N 230.258 2.072 0 40 BEAB CCOc1ccc(C(=O)OC(C)C)cc1N 20155546 TVQDNIKAGDKUJB-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB NCc1cccc(OCC(F)(F)F)c1 22143537 MEIZZCDBWUDKDW-UHFFFAOYSA-N 205.179 2.086 0 40 BEAB in-vitro Cc1noc(C)c1CC(=O)NCc1ccccc1 22390522 ARBSNIBQFLFZDT-UHFFFAOYSA-N 244.294 2.150 0 40 BEAB CN(Cc1cccnc1)C(=O)c1ccc(F)cc1 32967299 FETCOZJRYHYLOJ-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB O=C(O)[C@@H]1CCCO[C@@H]1c1ccccc1 36379617 PLTXACXZZGZCLU-GHMZBOCLSA-N 206.241 2.239 0 40 BEAB COc1ccccc1[C@@H](N)c1noc(C2CC2)n1 36764089 VRFCIKMILFCJFH-LLVKDONJSA-N 245.282 2.004 0 40 BEAB C[C@@H]1CCCN(CCNC2CCCC2)C1 37482379 JFZJSDCWURQJJA-GFCCVEGCSA-N 210.365 2.251 0 40 BEAB CN(CC1CCCCC1)C(=O)[C@H]1CCCO1 40497916 VYDUBXDLCXUBBC-GFCCVEGCSA-N 225.332 2.204 0 40 BEAB NCCc1ccc(C(F)(F)F)cc1F 44249447 ZERSTGLGQNKGSN-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB CCCCNCCCNc1nc(C)cc(C)n1 62717885 QGVNWRQNASLMCE-UHFFFAOYSA-N 236.363 2.285 0 40 BEAB Cc1cccc(C)c1NC(=O)[C@H](C)NC1CC1 64875584 KEJXOCOYNANZNH-NSHDSACASA-N 232.327 2.382 0 40 BEAB CCOC(=O)[C@H]1CCc2cc(F)ccc2O1 65742663 XLTYRVHHKJREDL-LLVKDONJSA-N 224.231 2.082 0 40 BEAB in-vitro N[C@@H]1C[C@H](C(F)(F)F)Oc2ccccc21 66444943 CIXHTAFKIGIRDM-VXNVDRBHSA-N 217.190 2.400 0 40 BEAB CCCN(C)[C@H](C)C(=O)NCc1ccccc1C 69091451 RHCLHCZCMZTRPC-CYBMUJFWSA-N 248.370 2.342 0 40 BEAB CCOc1c(F)cc(CCC(=O)O)cc1F 71867294 HYZUKNOCIQODQM-UHFFFAOYSA-N 230.210 2.381 0 40 BEAB COC(=O)/C=C/c1cccc2cnccc12 72206986 FERRSZFHQXFXCK-AATRIKPKSA-N 213.236 2.421 0 40 BEAB CCOC(=O)[C@@H]1C(=O)C2C[C@@H]3CC1C[C@H](C2)C3 72233421 YKVJWMKLQRKVNG-GSRULGPHSA-N 236.311 2.191 0 40 BEAB CCOC(=O)Oc1nc2ccccc2cc1N 85224572 QSBIFKBZCKRHAH-UHFFFAOYSA-N 232.239 2.352 0 40 BEAB Cc1ccccc1CN(C)C(=O)[C@H]1CCC[C@@H]1N 85358704 SVSCFRAVBPZHFQ-KBPBESRZSA-N 246.354 2.081 0 40 BEAB C[C@H](CN)Cc1ccc(OC(F)F)cc1 89263504 LYUHRGLMCOWUGA-QMMMGPOBSA-N 215.243 2.425 0 40 BEAB Cc1ccc(C)c2c1NC(Cl)=NS2(=O)=O 95096710 IXDTTXFAQFLNMJ-UHFFFAOYSA-N 244.703 2.012 0 40 BEAB NCc1cc2c(nc1OCC(F)F)CCCC2 95097310 MRWIAEVARRCNTM-UHFFFAOYSA-N 242.269 2.063 0 40 BEAB CC[C@@H](O)CN[C@@H](C)c1cccc(F)c1F 95986036 NNLSXCAFNJPZRG-DTWKUNHWSA-N 229.270 2.386 0 40 BEAB Cc1cccnc1CN1[C@@H](C)CCC[C@@H]1CO 95999298 NZCFHTQEDOBEAI-QWHCGFSZSA-N 234.343 2.125 0 40 BEAB COC(=O)[C@@H](C)c1c(Cl)ncnc1Cl 97053691 IIXYHUAWJVEBDO-BYPYZUCNSA-N 235.070 2.060 0 40 BEAB CCOC(CN1C[C@H]2CC=CC[C@@H]2C1)OCC 97161650 FQVVROVDNSRBAC-CHWSQXEVSA-N 239.359 2.284 0 40 BEAB CCc1nc(C(=O)N2CCCCCCC2)c[nH]1 98018429 DZLTYVUJMQMNKU-UHFFFAOYSA-N 235.331 2.378 0 40 BEAB COc1ccc([C@@H]2CCC(=O)CC2=O)cc1OC 101704680 ASYTWWXTCSYMME-NSHDSACASA-N 248.278 2.110 0 40 BEAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)CN21 222639240 UYNCEWGAJVXHGO-MWLCHTKSSA-N 233.340 2.320 0 40 BEAB C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](N)[C@@H]2[C@@H]1C 242463389 CZVKMVVAGFXBBQ-VYMHUAPZSA-N 237.265 2.326 0 40 BEAB C[C@H](Cc1ccccc1F)N[C@H]1CCC[C@@H]1O 253428824 BJJOFAZSCNMHQT-SWHYSGLUSA-N 237.318 2.260 0 40 BEAB CC(C)(C)OC(=O)NCC12CCC(CO)(C1)C2 306145493 GTEQRIIPNMPLFC-UHFFFAOYSA-N 241.331 2.064 0 40 BEAB COC(=O)C[C@H]1COc2c(C)cccc21 585656345 FDDISUDZSAPEOY-VIFPVBQESA-N 206.241 2.034 0 40 BEAB Cn1cnc(-c2ccc3ncccc3c2)n1 2362801321 DXCYDXIDTWWICC-UHFFFAOYSA-N 210.240 2.030 0 40 BEAB CCOC(=O)[C@H](CC)[C@H](O)c1ccccc1 1095279 MCJORAPHPVJYNZ-VXGBXAGGSA-N 222.284 2.309 0 40 BEAB in-vitro O=C(/C=C/c1cccc(F)c1)Nc1ccon1 1473126 SBCGPSAORWLKHD-SNAWJCMRSA-N 232.214 2.466 0 40 BEAB Cc1cccc[n+]1CCCC[n+]1ccccc1C 1669545 JNIFYGCEGVALBI-UHFFFAOYSA-N 242.366 2.359 0 40 BEAB c1ccc(CSc2nnc3n2CCCN3)cc1 2509660 BPMPZEZAULBBEZ-UHFFFAOYSA-N 246.339 2.386 0 40 BEAB COc1cccc(OC)c1C(=O)NC1CCCC1 3100563 XMAOSIAWTORGQH-UHFFFAOYSA-N 249.310 2.376 0 40 BEAB Cc1ccc(C(=O)CN2CCSC2=O)cc1 3887119 WBRZXEUTQCVWSF-UHFFFAOYSA-N 235.308 2.347 0 40 BEAB C[C@H]1[C@@H](C)[C@@](O)(c2ccccc2)CCN1C 3996632 BPCAXUWVIOXYQR-MBNYWOFBSA-N 219.328 2.234 0 40 BEAB COc1ccccc1/C=C1\N=C(C)OC1=O 4693043 HSKVPAFMAZDKCS-YFHOEESVSA-N 217.224 2.011 0 40 BEAB C[C@H]1C[C@H](O)[C@H](C)CN1Cc1ccccc1 4697432 LDTHAFXMNUJREZ-DYEKYZERSA-N 219.328 2.278 0 40 BEAB CC(=O)[C@H](C)CCO[C@@]1(C)OCC[C@H]1C 4976408 OQTJPVDUVXPFKJ-FOGDFJRCSA-N 214.305 2.391 0 40 BEAB in-vitro C[C@@H](CN)Oc1ccccc1Br 11946515 OVUQVGJSOPILOW-ZETCQYMHSA-N 230.105 2.175 0 40 BEAB in-vitro Nc1nc2n(c1C(=O)c1ccccc1)CCCC2 12375947 WRUUDGMHDPEWDI-UHFFFAOYSA-N 241.294 2.033 0 40 BEAB CCOC(=O)c1cccc2c(=O)cc(C)[nH]c12 16945293 DAHKJZNNKRXLAJ-UHFFFAOYSA-N 231.251 2.013 0 40 BEAB biogenic CCc1ccc(CN[C@@H](C)COC)cc1 19904372 FLOFDWLGTHSQHV-NSHDSACASA-N 207.317 2.374 0 40 BEAB CCOc1ccc(CC(=O)OC)c(OCC)c1 20134090 BJLDWKKBGZQVLX-UHFFFAOYSA-N 238.283 2.200 0 40 BEAB CC(C)c1ccc(O)c(NC(N)=S)c1 20154625 CHMPHXUIIOVHKM-UHFFFAOYSA-N 210.302 2.171 0 40 BEAB C[C@H](N)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 20594533 VTBIATVXDXCNEC-ZWKOPEQDSA-N 204.317 2.203 0 40 BEAB O=C(Nc1nnc2ccccn12)[C@H]1CC=CCC1 31739129 MXKGFBXJTHLGNK-JTQLQIEISA-N 242.282 2.024 0 40 BEAB Cc1cc(C)c(NC(=O)Cn2cccn2)c(C)c1 32491992 HNTORVKDTUEQNN-UHFFFAOYSA-N 243.310 2.447 0 40 BEAB CCCn1nccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 32611534 BEIJMEXWJWAPKH-TXEJJXNPSA-N 249.358 2.411 0 40 BEAB Cc1cc(C)nc(NC(=O)[C@@H]2CC=CCC2)n1 32735946 UHVXYTLSXSSRDD-LLVKDONJSA-N 231.299 2.388 0 40 BEAB C[C@@H](c1ccccc1)N(C)C(=O)c1cn[nH]c1 37504104 XNPNEZBYBJRHLQ-JTQLQIEISA-N 229.283 2.243 0 40 BEAB CC1CCN([C@H](C)C(=O)NC2CCCC2)CC1 40161232 PARAMXZQUOLVEO-GFCCVEGCSA-N 238.375 2.166 0 40 BEAB Clc1ccc(CNCCc2c[nH]cn2)cc1 45946202 JDPKQJLHHOQDLJ-UHFFFAOYSA-N 235.718 2.395 0 40 BEAB FC(F)Oc1ccc([C@@H]2CCNC2)cc1 50267054 YKEWXCSUGXAEBD-SECBINFHSA-N 213.227 2.365 0 40 BEAB CCOC(=O)C(=O)c1cc(C)ccc1OCC 51599959 KCDXHKOITLJECY-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB CCN(CC)c1nc2ccccc2nc1C(=O)O 57341248 POKIPJRJQFWDAR-UHFFFAOYSA-N 245.282 2.174 0 40 BEAB CCN(CC)CC(=O)Nc1cc(F)ccc1C 60992276 XYKIMCKBAIIBME-UHFFFAOYSA-N 238.306 2.414 0 40 BEAB c1cncc(CNc2ccc3nccnc3n2)c1 63507776 IIAAKIZQHLZMPS-UHFFFAOYSA-N 237.266 2.032 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc(N(C)C)nc1C 72218733 XZQNIDNJPUCVFA-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB O=C(O)[C@@]1(c2ccccn2)CCCCS1 72220165 RCNDXZZXMYBOCA-NSHDSACASA-N 223.297 2.279 0 40 BEAB CCN(CC)c1ncc([C@@H](C)O)cc1C 72222222 SLMSKIHORMRXHM-SNVBAGLBSA-N 208.305 2.290 0 40 BEAB CC(C)NC(=O)NCc1cc(F)ccc1F 74978578 WYPYVITTYJHHOT-UHFFFAOYSA-N 228.242 2.172 0 40 BEAB O=c1cnc(-c2cccc(Cl)c2)c[nH]1 79573202 GNKNPXDGFFJDQY-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB NCC1(c2ccccc2OC(F)F)CC1 89261722 LWIHYAFMORJEOW-UHFFFAOYSA-N 213.227 2.278 0 40 BEAB O=Cc1nc(-c2ccccc2OC(F)F)no1 89262093 KCUQTEAIDACCPU-UHFFFAOYSA-N 240.165 2.151 0 40 BEAB Cc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1 95534175 QTPUWJYHYQYRII-CYBMUJFWSA-N 244.342 2.360 0 40 BEAB COc1ccc(-c2nc([C@H](N)C(C)C)n[nH]2)cc1 95534705 BUMDASOMVPGRGW-LLVKDONJSA-N 246.314 2.136 0 40 BEAB C[C@H]1OCC[C@@H]1Sc1ncc(Cl)cn1 95973771 BFUGTWSLJOARCO-SVRRBLITSA-N 230.720 2.400 0 40 BEAB O=C([C@@H]1CCCO1)N1CCC2(CCCC2)CC1 97002418 DLKZIAFBOJAYRK-LBPRGKRZSA-N 237.343 2.348 0 40 BEAB CCS(=O)(=O)N1CCCc2ccc(C)cc21 98013606 ISCLEBDXSCVQQH-UHFFFAOYSA-N 239.340 2.097 0 40 BEAB O=C(c1cc(C2CC2)on1)N1[C@H]2C=CC[C@H]1CC2 208017008 CVCDMAHCZNFSIP-QWRGUYRKSA-N 244.294 2.485 0 40 BEAB O=C(O)[C@@H]1Cc2cc3ccccc3nc2C1 217912905 FXFQAESYOBTPOX-SNVBAGLBSA-N 213.236 2.034 0 40 BEAB N[C@@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 218883624 JTSPYXFCIXDUNO-GHMZBOCLSA-N 212.243 2.257 0 40 BEAB CCCNC(=O)c1ccc(N2CCCC2)c(N)c1 225437530 WGWYNKRQKFNSGX-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB CCOc1ccccc1N1CCN[C@H]2CCC[C@@H]21 225716978 ILMRDPMGWTWVDY-STQMWFEESA-N 246.354 2.416 0 40 BEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccccc1Cl 229558835 XNNGSDYBPFDYAJ-ZWNOBZJWSA-N 239.746 2.243 0 40 BEAB CCCC[C@H](C)C(=O)N1CCOCC[C@H]1C 252498974 RRZDFCGNBDERKA-NWDGAFQWSA-N 227.348 2.450 0 40 BEAB O=C(COc1ccccc1)NC1CCCC1 146551 CIEWURLIVJMXTD-UHFFFAOYSA-N 219.284 2.124 0 40 BEAB O=C(Cc1ccccc1)N1CCSC1=S 256151 OVLPCYXFKYZNNF-UHFFFAOYSA-N 237.349 2.089 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccccc1 1594350 BRFUVYUENFHUPU-UHFFFAOYSA-N 206.241 2.211 0 40 BEAB Cc1cccc(Nc2cc(C)nc(N)n2)c1 1681558 JKJWLYDCYPRKKX-UHFFFAOYSA-N 214.272 2.419 0 40 BEAB O=C1CCC(=O)N1SC(Cl)(Cl)Cl 1683283 QASYGYLAWGMUIP-UHFFFAOYSA-N 248.518 2.111 0 40 BEAB CSc1nc(Cl)c2ccn(C(C)=O)c2n1 1717054 JRZZAGOCIVIOMJ-UHFFFAOYSA-N 241.703 2.467 0 40 BEAB CCOCCOc1cccc(O)c1C(C)=O 2144825 UQXOTLVZBQYIMX-UHFFFAOYSA-N 224.256 2.010 0 40 BEAB CCn1ccc(CNCc2ccccc2)n1 2536093 RILVZNHHWHCEEZ-UHFFFAOYSA-N 215.300 2.193 0 40 BEAB COc1cc(/C=C\c2cccc[n+]2C)ccc1O 4578841 GOQJDPSNBTVGNH-UHFFFAOYSA-O 242.298 2.396 0 40 BEAB CC(=O)[C@@]1(C)OC(c2ccccc2)=NC1=S 4962641 UHVUNNZGAVUMKD-GFCCVEGCSA-N 233.292 2.139 0 40 BEAB Cc1ccc([C@H]2N[C@@H](C(=O)O)CS2)c(C)c1 5961487 WTDGOGLHWOAHSL-MNOVXSKESA-N 237.324 2.092 0 40 BEAB in-vitro Cc1cccc(C)c1NC(=O)CNC(=O)C(C)C 13020055 MSJYKIMNVBVJPN-UHFFFAOYSA-N 248.326 2.014 0 40 BEAB CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 14283466 WSMKSXZUNGVBNM-UHFFFAOYSA-N 236.658 2.355 0 40 BEAB CCOC(=O)CC(=O)Cc1ccc(F)cc1F 15443393 LMVDTTMSWABICA-UHFFFAOYSA-N 242.221 2.030 0 40 BEAB N[C@H](CC(=O)O)c1ccccc1OC(F)(F)F 19503383 OMUCIBHXELVTMP-SSDOTTSWSA-N 249.188 2.060 0 40 BEAB Cc1nn(CCCC(=O)O)c(C)c1Cl 20314410 PYFAYCOFOFQTEP-UHFFFAOYSA-N 216.668 2.018 0 40 BEAB COC(=O)c1ccccc1OCC(F)F 20348974 HKUMHEXBWYKOCV-UHFFFAOYSA-N 216.183 2.117 0 40 BEAB Cc1nc(N)c(C(N)=O)c(-c2ccccc2)c1C 20366643 DSGTXRTUXYLXCR-UHFFFAOYSA-N 241.294 2.047 0 40 BEAB CNC(=O)/C(C#N)=C/c1ccccc1OC(C)C 21316143 KRKWWCFLHKMVDI-XYOKQWHBSA-N 244.294 2.127 0 40 BEAB Cc1ccc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 25264893 BDJCZXGYZWNOTR-CHWSQXEVSA-N 247.338 2.287 0 40 BEAB CC(C)(C)NC(=O)c1ccc(F)c(F)c1 28210410 YSUNDAWBDCFQNI-UHFFFAOYSA-N 213.227 2.493 0 40 BEAB CCn1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 28575836 VKBKDFUTXUHBSD-QWRGUYRKSA-N 249.358 2.330 0 40 BEAB Cc1nn(C)c2c(N3CCCC[C@H]3C)ncnc12 32649411 ABZFAGMPMKZZPU-SECBINFHSA-N 245.330 2.051 0 40 BEAB O=C(Nc1ccccn1)[C@H]1Cc2ccccc2O1 32843893 ASIROXQZKHSAFK-GFCCVEGCSA-N 240.262 2.024 0 40 BEAB COc1cccc(/C=C/C(=O)Nc2cn[nH]c2)c1 32913245 GMBUVSVPBAZQJR-AATRIKPKSA-N 243.266 2.070 0 40 BEAB NC(=O)/C=C/c1c(Cl)cccc1Cl 33433388 UKUKFPMBMDGRON-SNAWJCMRSA-N 216.067 2.492 0 40 BEAB COC(=O)c1ccn(Cc2ccccc2)c1 34071087 UWFFWLIJKSDNKJ-UHFFFAOYSA-N 215.252 2.323 0 40 BEAB O=C(O)[C@]1(C(F)(F)F)C[C@H]2C=C[C@@H]1C2 34370072 IVQQRSCSISNRNA-BBVRLYRLSA-N 206.163 2.216 0 40 BEAB NC(=O)c1cc(Cl)cc(OC(F)(F)F)c1 39712964 CRDDYHINQOQMQK-UHFFFAOYSA-N 239.580 2.338 0 40 BEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCCCC1 40007861 RDHQNZHPEKEPFR-BETUJISGSA-N 238.375 2.262 0 40 BEAB COc1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42770942 CBUKTTLEGAOJPG-SECBINFHSA-N 241.718 2.337 0 40 BEAB O=C(Nc1ccc2oc(=O)ccc2c1)NC1CC1 49301120 DRIIOCCPRATPNS-UHFFFAOYSA-N 244.250 2.077 0 40 BEAB CC(C)(NC(=O)c1cc[nH]n1)c1ccccc1 49314878 BHGQADKQGQFAIR-UHFFFAOYSA-N 229.283 2.075 0 40 BEAB COCCCN(C)Cc1ccccc1C 51212198 POGWLJGVYRXALO-UHFFFAOYSA-N 207.317 2.463 0 40 BEAB CCc1nnc(CN2C[C@H](C)C[C@@H](C)C2)o1 54114978 GLHJWFFFELRAHW-NXEZZACHSA-N 223.320 2.110 0 40 BEAB O=C1CCC(=O)N1CCc1ccccc1Cl 57529116 YSCWQZVASXOUBQ-UHFFFAOYSA-N 237.686 2.032 0 40 BEAB CC(C)Sc1ncccc1C(=O)N1CCC1 61138338 GUGSRPPDHNSNSO-UHFFFAOYSA-N 236.340 2.428 0 40 BEAB O=C(Nc1ccc2c(c1)CCN2)c1ccoc1 63188095 ANJQQYJPCARYTN-UHFFFAOYSA-N 228.251 2.500 0 40 BEAB O=C(O)c1ccc(Cl)nc1N1CCCC1 71025898 NBRJTRNEDJZVJI-UHFFFAOYSA-N 226.663 2.033 0 40 BEAB CNc1cc(C)c([C@H]2CCCCN2C=O)cn1 72219073 OUXUIXVXHJILEQ-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB CC(C)N(C(=O)Nc1cccnc1)C1CC1 72311250 OVWNCRGJZMSHMW-UHFFFAOYSA-N 219.288 2.486 0 40 BEAB Cc1cn2cc(C(F)(F)F)cc(N)c2n1 74536362 AXVADFBNMTVRBO-UHFFFAOYSA-N 215.178 2.244 0 40 BEAB O=C(NCC[C@@H](O)C1CC1)Nc1cccs1 77108650 FTRBMBDRQHJKMD-SECBINFHSA-N 240.328 2.031 0 40 BEAB C[C@H](c1ccccc1)N(CC(N)=O)CC1CCC1 77372240 FEJQEEHJALKAPM-GFCCVEGCSA-N 246.354 2.335 0 40 BEAB CC(=O)c1c(F)cccc1N(C)CC[C@H](C)O 78416958 ROPVVNSELUFZHJ-VIFPVBQESA-N 239.290 2.235 0 40 BEAB O=C(O)c1c(C(F)F)n[nH]c1C(F)(F)F 78870112 OEISKAOFWXITBU-UHFFFAOYSA-N 230.092 2.064 0 40 BEAB in-vitro CC(=O)c1c(C)[nH]c(C(=O)O)c1C(C)C 83254971 JJULLPVWPMCVPA-UHFFFAOYSA-N 209.245 2.347 0 40 BEAB in-vitro Cc1c(NC(=O)[C@@H]2CCOC2)cccc1N(C)C 95987038 HOAVBSQEXFVBAU-LLVKDONJSA-N 248.326 2.036 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1ccccc1F 96529862 JOAPWZVBSXWBCB-VHSXEESVSA-N 209.264 2.265 0 40 BEAB Cc1cc(NC(=O)CC2CCCCC2)nc(O)n1 97082728 HQZJQYKONDWIDB-UHFFFAOYSA-N 249.314 2.400 0 40 BEAB CCn1cnnc1CNC[C@H]1C(C)=CCC[C@H]1C 97098592 YUBSXKJSLDQTAC-OLZOCXBDSA-N 248.374 2.380 0 40 BEAB Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H](C)O)C2)c1 97108010 FLBRRUWTPZNXCW-OLZOCXBDSA-N 247.338 2.000 0 40 BEAB CCOC(=O)[C@H]1CCCc2cccnc21 98095614 KVJMXJLRPIIKAJ-JTQLQIEISA-N 205.257 2.065 0 40 BEAB in-vitro CCOC(=O)[C@@H](C#N)c1cc(F)cc(OC)c1 146623953 BBJUMMDFVHGQFB-NSHDSACASA-N 237.230 2.005 0 40 BEAB CC(C)Oc1cc(C(N)=O)ccc1OC(F)F 224517873 ZUVZQJUEVSEJBU-UHFFFAOYSA-N 245.225 2.174 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](O)C[C@@H]2C1 238112734 NUGMELYNLSUXDH-MXWKQRLJSA-N 241.331 2.014 0 40 BEAB C[C@H]1CCN(C[C@H](O)COC(C)(C)C)[C@@H](C)C1 390835241 HLHSQINHTMRRBY-AVGNSLFASA-N 243.391 2.283 0 40 BEAB O[C@H]1CC[C@@H]1NCc1cccc(C(F)(F)F)c1 585297579 GXHVWHBVWOTBLW-QWRGUYRKSA-N 245.244 2.318 0 40 BEAB CC(C)Oc1cc(F)c(C(=O)O)cc1F 725239972 POKWQZKKDXZDFV-UHFFFAOYSA-N 216.183 2.450 0 40 BEAB CO[C@H](CCSC)CNC(=O)C1CCCC1 1850042605 HQAXMJXCPWUAFH-LLVKDONJSA-N 245.388 2.061 0 40 BEAB Clc1ccnnc1O[C@H]1CCCCO1 1857793076 CTGCRGWCGWUAOZ-QMMMGPOBSA-N 214.652 2.035 0 40 BEAB CC(=O)Nc1ccc(C(=O)NCCC(C)C)cc1 30403 ZXPQWIAUWLQFHR-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB Cc1ccc(Cl)cc1Nc1ncnc(N)n1 89532 AZSLINNHIJWKGG-UHFFFAOYSA-N 235.678 2.159 0 40 BEAB Nc1nc(-c2ccc(Cl)cc2Cl)cn1N 255080 PZTJYJXWFDTCAH-UHFFFAOYSA-N 243.097 2.153 0 40 BEAB CCCCOC(=O)[C@H]1COc2ccccc2O1 3290326 JDJZCBAJNHKBDS-GFCCVEGCSA-N 236.267 2.170 0 40 BEAB C[C@H](Oc1cc(Cl)ccc1Cl)C(N)=O 3469410 MFESCQZYBZCNLS-YFKPBYRVSA-N 234.082 2.246 0 40 BEAB O=[S@@](NOCc1ccccc1)c1ccccc1 5190976 SXRYGLAHPSJTLE-KRWDZBQOSA-N 247.319 2.431 0 40 BEAB CC[C@@]1(c2ccccc2)C[C@H](C)C(=O)NC1=O 5469172 ZXNKZQSZQMLQKI-HZMBPMFUSA-N 231.295 2.017 0 40 BEAB CCCNc1nc(C)[nH]c2ncc(C)c1-2 5785143 NRPIFSCMMWBSIF-UHFFFAOYSA-N 204.277 2.348 0 40 BEAB CC[C@@H](CO)NC/C=C/c1ccccc1 6541096 DFLZFWRORFEHIO-PPGNKHEKSA-N 205.301 2.060 0 40 BEAB CCCCNCc1ccc2c(c1)OCO2 7261721 KROMMYPARAZRAZ-UHFFFAOYSA-N 207.273 2.305 0 40 BEAB Cc1nn2c(Cc3ccccc3F)nnc2s1 8715030 JJPJLWGYIYELDG-UHFFFAOYSA-N 248.286 2.224 0 40 BEAB CC(C)[C@@H](C(=O)O)N1C[C@H](C)C[C@@H](C)C1 11864821 GOUFZXZRYVCGNY-MXWKQRLJSA-N 213.321 2.074 0 40 BEAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)CCC2 12898134 LVIKHFVSQALAMQ-AWEZNQCLSA-N 245.322 2.084 0 40 BEAB OCCOc1ccc(-c2ccc(O)cc2)cc1 19075587 ULWSJDILGOIAKU-UHFFFAOYSA-N 230.263 2.430 0 40 BEAB CC(C)(C)c1ccc([C@@H](O)CCN)cc1 19674771 BWLRSHGKMGRZFV-LBPRGKRZSA-N 207.317 2.366 0 40 BEAB CCOc1ccc(C(=O)NC2CCCC2)cc1N 20155636 NTAVFNWPWJJQND-UHFFFAOYSA-N 248.326 2.340 0 40 BEAB CC[C@@H](C)n1ncc2c(C(=O)O)cc(C)nc21 20314167 IQLFFGJLHQSXST-MRVPVSSYSA-N 233.271 2.409 0 40 BEAB Cc1cccc(C(=O)Nc2cccnc2)n1 24430592 DTRKNYKZOVCWHW-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB Cc1ccc2c(CC(=O)N(C)C)coc2c1 27587490 UQBWUIYEQCYOJY-UHFFFAOYSA-N 217.268 2.372 0 40 BEAB Cc1nsc(NC(=O)c2ccccc2C)n1 27664584 IRDMDFLWGCPZCA-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COc2ccccc2C1 28072853 FDQNCMVCDPEIMF-WZRBSPASSA-N 245.322 2.010 0 40 BEAB COc1ccc(CNC(=O)C[C@H]2C=CCC2)cn1 32871409 XNROKVSRZGZZOL-NSHDSACASA-N 246.310 2.063 0 40 BEAB Nc1nncc(-c2ccc3ccccc3c2)n1 34959341 SIJNFZWBLZMXDV-UHFFFAOYSA-N 222.251 2.274 0 40 BEAB in-vitro Clc1ccc(CO[C@H]2CCNC2)cc1 36142132 DKVSNPJCLMRHSM-NSHDSACASA-N 211.692 2.219 0 40 BEAB in-vitro O=C(c1c[nH]c2ccccc12)N1CCSCC1 36163384 YEKDLJCLLWAMJY-UHFFFAOYSA-N 246.335 2.357 0 40 BEAB NC[C@@H](c1cc(F)ccc1F)N1CCCCC1 37233510 JRJHALBZLWFAFK-ZDUSSCGKSA-N 240.297 2.451 0 40 BEAB Cc1cc(F)ccc1N1CCC[C@H](N)C1 43470549 UTLDLISFEIXNHH-NSHDSACASA-N 208.280 2.062 0 40 BEAB in-vitro CN(Cc1ccco1)Cc1nc(C2CC2)no1 43999733 YQCDNLXQFCIIHX-UHFFFAOYSA-N 233.271 2.172 0 40 BEAB CCOC(=O)c1ccc(Br)cc1O 44489750 RTHJADUNBHFLSF-UHFFFAOYSA-N 245.072 2.331 0 40 BEAB in-vitro O=S1(=O)C[C@H]2CC=C3CCCC[C@H]3[C@H]2C1 45027901 IDUKJPBRTFHNFG-UTUOFQBUSA-N 226.341 2.168 0 40 BEAB Cc1ccccc1CCNC(=O)c1ccc[nH]1 48237154 LJQKBWYDNNAYNH-UHFFFAOYSA-N 228.295 2.296 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 49122886 UYJAWTNWITUSQU-SCZZXKLOSA-N 233.315 2.369 0 40 BEAB O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1 52945250 SDKQWVALTYIIDW-UHFFFAOYSA-N 235.674 2.244 0 40 BEAB C[C@@H](O)C(=O)Nc1ccc(C(F)(F)F)cc1 57521336 DWJSURUDGIXOLD-ZCFIWIBFSA-N 233.189 2.025 0 40 BEAB CCCCc1nc(CN2CC[C@@H](O)C2)cs1 58431953 HJAWXDKYDGCGOD-LLVKDONJSA-N 240.372 2.052 0 40 BEAB CC(C)Cc1nc2c(C(=O)O)cccc2[nH]1 62136925 VXDNPRNPYKOCOX-UHFFFAOYSA-N 218.256 2.460 0 40 BEAB in-vitro CC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 72160558 SRBRNDCAHLWKTL-UHFFFAOYSA-N 235.674 2.182 0 40 BEAB Cc1cc(N2CCCCC2)ncc1C=O 72221145 FJQRGCZLHMZGQD-UHFFFAOYSA-N 204.273 2.193 0 40 BEAB Cn1cc([C@@H]2OCC[C@H]2CNC2CCCC2)cn1 89755262 MPLZXUUMSLPTOD-SMDDNHRTSA-N 249.358 2.030 0 40 BEAB O=C(O)c1ccc2c(c1)O[C@H](F)C(F)(F)O2 91252160 LHILZLOMAYUYCH-QMMMGPOBSA-N 234.129 2.044 0 40 BEAB CCOC(=O)c1cnc2cc(O)ccc2c1 91692634 BZIKWZHREHOEEN-UHFFFAOYSA-N 217.224 2.117 0 40 BEAB O=Cc1cc(OCc2ccccc2)ccn1 95093357 UJFIYDAKNVSOJI-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB Cc1cc(C)cc(CNc2cnn(CCO)c2)c1 95348567 OGPODHVQILMVOY-UHFFFAOYSA-N 245.326 2.104 0 40 BEAB COc1ccc(F)cc1[C@@H](O)c1ccccn1 95727406 LNEUSOOVXBEZHW-CYBMUJFWSA-N 233.242 2.311 0 40 BEAB NC(=O)c1c(Cl)cc(Cl)nc1Cl 95883378 IQLNRTPWCZJLOP-UHFFFAOYSA-N 225.462 2.141 0 40 BEAB in-vitro Cc1cccn2c(CN3CCCC3)cnc12 95961913 GFZOVKULDGYMCV-UHFFFAOYSA-N 215.300 2.239 0 40 BEAB FCCN1C[C@@H]2CNc3ccccc3[C@H]2C1 96157359 IDNOQJVOZHWQRF-JQWIXIFHSA-N 220.291 2.097 0 40 BEAB Cc1cccc(C)c1C(=O)NC[C@@H](C)CC(=O)O 97045155 VZKCGZRMEMTGBL-VIFPVBQESA-N 249.310 2.144 0 40 BEAB CN(Cc1cccnc1)C[C@H]1CCC=CO1 97105557 GCWAFGOKSWDAJA-CYBMUJFWSA-N 218.300 2.206 0 40 BEAB CCOC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 106931639 PJGRLHKICHVEIJ-NEPJUHHUSA-N 220.268 2.362 0 40 BEAB N[C@@H]1C[C@@]12CCc1cc(Br)ccc12 127873137 HPLZQVPAYLSJEZ-GHMZBOCLSA-N 238.128 2.364 0 40 BEAB CC[C@@H](C)N[Si](C)(C)N[C@H](C)CC 196282042 AOOAEHIAZBYEDV-NXEZZACHSA-N 202.418 2.464 0 40 BEAB CC(C)[C@H](N)CN1CC[C@H]2CCCC[C@H]2C1 252470049 SNFUJVJQOTZTSH-HZSPNIEDSA-N 224.392 2.482 0 40 BEAB COC(=O)c1nc(-c2ccc(F)cc2)c[nH]1 256052293 MSZZFARYVRARKV-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB CCOC(=O)c1c(C)[nH]c2ncccc12 261223041 VTSMVAWQPQKFMN-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB Cc1cc(C(F)F)nn1[C@H](C)CC(=O)O 408716761 QPTYDIQSCAGGHQ-ZCFIWIBFSA-N 218.203 2.165 0 40 BEAB Cn1cnc(-c2cccc(OC(F)(F)F)c2)n1 2362801783 UHHWHHVKXSZQDP-UHFFFAOYSA-N 243.188 2.381 0 40 BEAB Cc1n[nH]c(=O)nc1Nc1ccc(C(C)C)cc1 114363 SRUWPAISQUBIOQ-UHFFFAOYSA-N 244.298 2.340 0 40 BEAB in-vitro CCOC(=O)Cn1nc(C)c2c1C[C@H]1[C@@H]2C1(C)C 181727 BZXRYLCGBSWIIS-ZANVPECISA-N 248.326 2.050 0 40 BEAB biogenic CCCn1c(NC[C@@H](C)O)nc2ccccc21 513472 QNRWMNQRVGSCFF-SNVBAGLBSA-N 233.315 2.239 0 40 BEAB CC[C@@](CC(C)C)(SCC(=O)O)C(=O)O 2035525 UPNYOOGWLPZJOC-JTQLQIEISA-N 234.317 2.084 0 40 BEAB NC(=S)c1ccccc1NC(=O)c1ccco1 4207091 QVLXKQWKDLDBMU-UHFFFAOYSA-N 246.291 2.166 0 40 BEAB Cc1cc(COC(=O)c2cccc(O)c2)on1 8525220 CIGGDRREJOJZNV-UHFFFAOYSA-N 233.223 2.046 0 40 BEAB CC(C)C(=O)NC(=S)Nc1cccc(F)c1 9140334 JFLIGULXWUEEOL-UHFFFAOYSA-N 240.303 2.295 0 40 BEAB CCOc1ccccc1O[C@@H]1CCCNC1 12359902 FHQAQESFJQHBCG-LLVKDONJSA-N 221.300 2.216 0 40 BEAB CC(=O)OCc1ccc2ccccc2n1 12505517 DNRJGKANFCXPLY-UHFFFAOYSA-N 201.225 2.298 0 40 BEAB biogenic O=C(O)[C@H](c1ccc(F)cc1)N1CCCC1 16764101 WLJMDSMSZOEVNJ-NSHDSACASA-N 223.247 2.047 0 40 BEAB COCC(=O)Nc1ccccc1C(F)(F)F 16971513 PZRZSKJYILERIA-UHFFFAOYSA-N 233.189 2.290 0 40 BEAB NNCc1ccc(SC(F)(F)F)cc1 19270143 IJFXNRNHPADUSP-UHFFFAOYSA-N 222.235 2.262 0 40 BEAB Fc1ccc(CNCC(F)(F)F)cc1 19480514 LTRAZTBXRODPMK-UHFFFAOYSA-N 207.170 2.478 0 40 BEAB Cc1cc(COc2ccc(C(=O)O)cc2)on1 20253491 LFYQZAJDQDRNJE-UHFFFAOYSA-N 233.223 2.260 0 40 BEAB Cc1ccc(CNc2cnn(C)c2)cc1 20350262 GJYWNIHBVJLDED-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCN2)c(Cl)c1 20362726 OJVQNYWGGIKICO-LLVKDONJSA-N 238.718 2.339 0 40 BEAB Cn1ncc(Br)c1C(F)(F)F 26513441 WPGFBPBCXHFXQD-UHFFFAOYSA-N 228.999 2.201 0 40 BEAB in-vitro CCn1ccc(NC(=O)c2cccs2)n1 27929698 NPEUORYVTZKUCG-UHFFFAOYSA-N 221.285 2.217 0 40 BEAB CCCNC(=O)CCn1nc(C)c(Cl)c1C 32648192 WYALJYRRPMXSNZ-UHFFFAOYSA-N 243.738 2.070 0 40 BEAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)C)c1 32797140 KNOVONBBQFIFBS-NSHDSACASA-N 220.316 2.192 0 40 BEAB Fc1cccc(-c2noc([C@@H]3CCCN3)n2)c1 35660494 HCAVFZXIOHWWFK-JTQLQIEISA-N 233.246 2.300 0 40 BEAB CCCCN(CC)CCC(=O)OCC 36984790 DFODMGBOXJGZTI-UHFFFAOYSA-N 201.310 2.062 0 40 BEAB O=c1[nH]c(=S)[nH]c(O)c1C1CCCCC1 37868483 OQWQBUPZNSXJJS-UHFFFAOYSA-N 226.301 2.186 0 40 BEAB CC[C@@H](C)C(=O)N[C@H](C)Cc1ccco1 40074695 WMPBOUCRBQIJKZ-NXEZZACHSA-N 209.289 2.373 0 40 BEAB Cc1ccc(C(=O)N2CCSCC2)cc1C 40542000 PDBPQSBCKIKASD-UHFFFAOYSA-N 235.352 2.492 0 40 BEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CO 40556055 ZEAJEQJYNLTHNX-GFCCVEGCSA-N 238.327 2.025 0 40 BEAB CCCc1nc(CN2CCO[C@H](C)C2)cs1 42652046 LKJICJGCNWKYAZ-SNVBAGLBSA-N 240.372 2.316 0 40 BEAB C[C@@H]1CCCN(c2cc(=S)[nH]cn2)C1 45918619 WGKGBYPGDQPCTO-MRVPVSSYSA-N 209.318 2.375 0 40 BEAB CC(C)Oc1cc(CNC2CC2)ccn1 51526533 NBINWMLKCIRIGR-UHFFFAOYSA-N 206.289 2.121 0 40 BEAB in-vitro OC[C@@H]1CCc2cc(Br)ccc2O1 59388420 GSVBRKJDXWPIFW-VIFPVBQESA-N 243.100 2.135 0 40 BEAB COc1cc2c(cc1Cl)ncc1c(O)n[nH]c12 64874619 BDSPCBMVDNEHAS-UHFFFAOYSA-N 249.657 2.479 0 40 BEAB Cc1noc(-c2cccs2)c1CC(=O)O 71524841 VPAAYOYEHXPDRG-UHFFFAOYSA-N 223.253 2.339 0 40 BEAB COCCN1CCC(c2cccc(C)n2)CC1 72381553 JHOBOHTZDJLWKX-UHFFFAOYSA-N 234.343 2.216 0 40 BEAB N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 79776714 YIWYYJSTUDOPBR-VIFPVBQESA-N 249.264 2.102 0 40 BEAB CCCNC(=O)C[C@@H]1OCCc2ccsc21 84756437 JMKFDONXNAUMRC-JTQLQIEISA-N 239.340 2.278 0 40 BEAB C[C@@H](C(=O)O)n1cc(-c2ccccc2F)cn1 85391390 FZNLIWJXVCYGEP-QMMMGPOBSA-N 234.230 2.335 0 40 BEAB CCCc1c(N)cnn1-c1ccccc1 85634231 GKLDCVFCFGGHPA-UHFFFAOYSA-N 201.273 2.407 0 40 BEAB in-vitro Nc1ccc2c(c1)CCC(=O)N2CC1CCC1 88133185 YMZJDAUSHSBNEL-UHFFFAOYSA-N 230.311 2.348 0 40 BEAB in-vitro OCc1cc2cc(Br)ccc2cn1 95934476 SVROANRAODJATE-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB C[C@H](NCCOc1cccnc1)C(C)(C)C 95968027 WKDKLDPFVFRXQL-NSHDSACASA-N 222.332 2.485 0 40 BEAB CCN1Cc2nc3ccccc3cc2C1=O 96026290 YXPXTRXJJFISJP-UHFFFAOYSA-N 212.252 2.211 0 40 BEAB COCCc1cnc([C@@H](C)OC)nc1Cl 96529192 YBMXIKPBZZUUSZ-SSDOTTSWSA-N 230.695 2.026 0 40 BEAB Cc1cc(Cl)n(-c2cccc(N)c2)n1 96529722 SUXJNNNRGULRNJ-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB CCOc1cccc(CS[C@H](C)CO)n1 97085508 HHEDEAIDWVXIDA-SECBINFHSA-N 227.329 2.094 0 40 BEAB C[C@@H](NC(=O)c1cc(O)cc(O)c1)C1CCC1 97102001 OATAEOGIHATKKJ-MRVPVSSYSA-N 235.283 2.016 0 40 BEAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 100216495 CZYCREFHHMUIAW-GWOFURMSSA-N 239.315 2.031 0 40 BEAB Cc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1 218844004 JFPBLLFPDFWWMS-UONOGXRCSA-N 216.328 2.326 0 40 BEAB Cc1cc(N[C@@H](C(=O)O)C(C)C)ccc1N 223771197 FRWQUWWFMFOGPM-LLVKDONJSA-N 222.288 2.098 0 40 BEAB Cc1cn(C)nc1NCc1ccnn1CC(C)C 256050134 CVTCBHJIHRULTN-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB OCCc1cc([C@H]2CCCN2C2CCCC2)n[nH]1 257248461 JDTIAEWUOLVKHU-CQSZACIVSA-N 249.358 2.024 0 40 BEAB CC(=O)Oc1ccc(-c2ccccc2)nn1 408527606 GJONBDHJIJDBMF-UHFFFAOYSA-N 214.224 2.069 0 40 BEAB COC(=O)[C@H]1CCCc2cnn(C(C)C)c2C1 575423972 INLSLFKOGXETJV-JTQLQIEISA-N 236.315 2.132 0 40 BEAB Cc1cccnc1OC[C@H]1CCCCO1 585655146 UVZAVLAVGLNPTC-LLVKDONJSA-N 207.273 2.338 0 40 BEAB CN1CCC[C@@H]1COc1nc2ccccc2o1 585655150 UYAGGPVRELXMCY-SNVBAGLBSA-N 232.283 2.301 0 40 BEAB CN(c1ccc(C(C)(C)C)nn1)[C@H]1CCC[C@H]1O 952962569 CSHWLUZMQDUWOR-WDEREUQCSA-N 249.358 2.124 0 40 BEAB COc1ccccc1C(=O)NCCC(C)C 363887 WHBFNXXLHXQFRP-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB Cc1cc(C)n(C(=O)c2cccnc2Cl)n1 483055 NLXGLOHMPPSBML-UHFFFAOYSA-N 235.674 2.237 0 40 BEAB Nc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 488204 UAWKAJMVJJHNNE-UHFFFAOYSA-N 247.257 2.423 0 40 BEAB biogenic O=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C2 1321244 PDLKQXJZJXLNBA-SRRSOLGSSA-N 208.301 2.297 0 40 BEAB COc1ccccc1/C=C1/N=C(C)OC1=O 1506939 HSKVPAFMAZDKCS-JXMROGBWSA-N 217.224 2.011 0 40 BEAB CCC(C)(C)C(=O)Nc1ccccc1C(N)=O 2735149 YCZCNNGPYFNNAZ-UHFFFAOYSA-N 234.299 2.160 0 40 BEAB O=Cc1ccc(-c2ccc(C(=O)O)o2)o1 4312908 AOPYILXWOOKLET-UHFFFAOYSA-N 206.153 2.050 0 40 BEAB CCC[C@@H](N)c1ccc2c(c1)OCCO2 4992678 JRFXYFYLZIFOQP-SNVBAGLBSA-N 207.273 2.258 0 40 BEAB Cc1ccnc(SC(=O)c2ccccn2)n1 5748617 KFQBODGVLAVANI-UHFFFAOYSA-N 231.280 2.113 0 40 BEAB Cc1ccc(CNC(=O)N2CCCC2)cc1 9218455 ICQIJCGJPRPPBJ-UHFFFAOYSA-N 218.300 2.300 0 40 BEAB NC(=O)CCSCc1c[nH]c2ccccc12 9614611 GFYBIUCRSJQSJU-UHFFFAOYSA-N 234.324 2.277 0 40 BEAB C[C@](CN)(Cc1c(F)cccc1Cl)C(=O)O 11979623 FCIIPADFOOAKAY-LLVKDONJSA-N 245.681 2.071 0 40 BEAB CCn1ncc2c(C(=O)O)cc(C3CC3)nc21 12396559 KVOJFHZWBXRJGZ-UHFFFAOYSA-N 231.255 2.027 0 40 BEAB Cc1nc2ccccc2n1-c1ncccc1N 12399115 QNBVCFARGKDHDC-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB CC(C)CNC(=O)c1ccc(-n2cccn2)cc1 12858693 MMLKXQBDRMOWGE-UHFFFAOYSA-N 243.310 2.258 0 40 BEAB Cc1nc2[nH]cc(C=O)c2cc1Br 16678045 HHBZEJKHKKWZHN-UHFFFAOYSA-N 239.072 2.446 0 40 BEAB in-vitro Nc1ccccc1C(=O)NCCc1cccs1 19256224 GGWKXTOKKAXOFX-UHFFFAOYSA-N 246.335 2.303 0 40 BEAB COC(=O)CCCC(=O)Nc1cccc(C)c1 20198476 PQZBCYDTIOEDDP-UHFFFAOYSA-N 235.283 2.277 0 40 BEAB Fc1cc(F)cc(OC[C@@H]2CCCN2)c1 26380790 REAWYCNUKZQGIX-JTQLQIEISA-N 213.227 2.096 0 40 BEAB c1ccc2c(NC3CCOCC3)ncnc2c1 37637203 JTXDBPXMWOOZHX-UHFFFAOYSA-N 229.283 2.221 0 40 BEAB CC(C)N1C(=O)C[C@H](C(=O)O)[C@H]1c1ccccc1 39276361 LURNCVQHNOOYJK-WCQYABFASA-N 247.294 2.069 0 40 BEAB COCC(=O)Nc1ncc(-c2ccccc2)s1 40087534 SRMWYAYUYJLOQT-UHFFFAOYSA-N 248.307 2.395 0 40 BEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1cccs1 43545234 OUGFYXRJLGNINV-RKDXNWHRSA-N 225.313 2.104 0 40 BEAB COC(=O)[C@H](C)CN[C@@H](C)CCc1ccccc1 44288532 CBHOGIOVSJMKPU-OLZOCXBDSA-N 249.354 2.406 0 40 BEAB Cc1cc(C(=O)N2CCO[C@H](C)C2)sc1C 44892773 GUZGQCPMQBYTEA-SECBINFHSA-N 239.340 2.226 0 40 BEAB O=C(O)CC[C@H]1CCCCN1C(=O)CC1CC1 50921776 MEDHYEVUYYRZIR-LLVKDONJSA-N 239.315 2.032 0 40 BEAB O[C@@H]1CCCC[C@H]1NC1Cc2ccccc2C1 51996524 JCGSQQHJICCUPA-HUUCEWRRSA-N 231.339 2.047 0 40 BEAB NC[C@H]1CCCN(Cc2ccccc2)CC1 57340743 BQCVOJASHGIHDU-ZDUSSCGKSA-N 218.344 2.247 0 40 BEAB CCN(CC)CCCN[C@H]1CCCSC1 61571279 PEOICROGXWQDTK-LBPRGKRZSA-N 230.421 2.204 0 40 BEAB O=C1CCOc2ccc(Br)cc2N1 62533527 KLZJMDMPVXMRJW-UHFFFAOYSA-N 242.072 2.170 0 40 BEAB FC1(F)CNCC[C@H]1OCc1ccccc1 66351303 OBLKTQVTONDPQK-LLVKDONJSA-N 227.254 2.200 0 40 BEAB in-vitro Cc1cnn(CCNCc2ccsc2)c1 69917887 WWRMFONMNSMBKT-UHFFFAOYSA-N 221.329 2.043 0 40 BEAB NCc1cccc(N2CCCCCC2=O)c1 70595828 BNCFFJZHLZVPNA-UHFFFAOYSA-N 218.300 2.052 0 40 BEAB Cc1ccncc1[C@H]1CCCCN1C=O 72211428 GPAMNXKGENRDLQ-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CCC(CC)N(C)c1nc(C)nc2c1cnn2C 72307684 NSFXVULQMXJEHL-UHFFFAOYSA-N 247.346 2.297 0 40 BEAB c1cc(N2CCC[C@@H](c3cnccn3)C2)ccn1 72356922 ZXMOHSUDQLQYHL-GFCCVEGCSA-N 240.310 2.256 0 40 BEAB FC(F)(F)CN1CCN(c2ccccc2)CC1 74232787 PLLVFJSHVXVCRV-UHFFFAOYSA-N 244.260 2.371 0 40 BEAB COc1c(C)cc(-c2noc([C@H](C)N)n2)cc1C 75079911 LZCLXNKVBKGWFB-VIFPVBQESA-N 247.298 2.382 0 40 BEAB C[C@H](O)CCNc1nc2ccccc2s1 78727645 CNEJYLJMTQRUQI-QMMMGPOBSA-N 222.313 2.479 0 40 BEAB COC(=O)c1ccc(Cc2c(C)n[nH]c2C)cc1 82169969 LWUYTKDBEDTTLY-UHFFFAOYSA-N 244.294 2.404 0 40 BEAB COc1cccc2c(O)cc(C(=O)O)cc12 82319448 XWBRXUQOEQJGTJ-UHFFFAOYSA-N 218.208 2.252 0 40 BEAB O=Cc1ccc(C(=O)OCc2ccccc2)[nH]1 90668979 WLHDCJQRTCXNRP-UHFFFAOYSA-N 229.235 2.184 0 40 BEAB in-vitro Cc1ccc(C)c(Oc2nn(C)cc2N)c1 95836613 HCILRUZVKSDNEM-UHFFFAOYSA-N 217.272 2.411 0 40 BEAB N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(F)cc1C2 95917694 QTWJFLNSIAWSAX-NRUUGDAUSA-N 205.276 2.278 0 40 BEAB CC[C@@H](C)OCC(=O)Nc1c(C)cccc1O 95995395 LRNXTEKPRMHCNJ-SNVBAGLBSA-N 237.299 2.454 0 40 BEAB CC1(OC(=O)C2CCC(=O)CC2)CCC1 96013448 CKGDSFLZMRVJOB-UHFFFAOYSA-N 210.273 2.232 0 40 BEAB COCCSc1cc(F)ccc1C(=O)OC 96490413 IMYMXRMSSRZANK-UHFFFAOYSA-N 244.287 2.351 0 40 BEAB CCS(=O)(=O)/C=C/c1cccc(C)c1 96510049 FCTVDAKZDLIMAV-BQYQJAHWSA-N 210.298 2.400 0 40 BEAB COc1cc(C)cc(Br)n1 98091102 VLZKZEISEZUUAQ-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB OC1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(O)[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 104186360 ZLLCWMLUVPYBOZ-CMFCEHNDSA-N 248.366 2.046 0 40 BEAB Oc1ccc(Br)c(C2OCCO2)c1 145842790 YDFPHBYVAKDDEF-UHFFFAOYSA-N 245.072 2.200 0 40 BEAB O=Cc1c(Cl)cnn1-c1ccccc1 214770737 ZJXNCMFDKZCWLP-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB CCCCOc1nc(C)sc1C(=O)O 218267987 RCNKBBLRXNWHPI-UHFFFAOYSA-N 215.274 2.329 0 40 BEAB CC[C@H](C(=O)O)N(C)c1cccc(C)c1 224981030 MWEKMHKTPBSXIL-LLVKDONJSA-N 207.273 2.294 0 40 BEAB CC(C)c1nc(Cl)nc(Cl)c1N 238181035 QYUIYESIGOYMCI-UHFFFAOYSA-N 206.076 2.489 0 40 BEAB FC(F)n1nccc1CNCc1ccco1 256053533 RVCZFEDMPUCEPV-UHFFFAOYSA-N 227.214 2.161 0 40 BEAB COC(=O)C1CCC(OC(F)(F)F)CC1 309013286 PYBGPRYVPCKNML-UHFFFAOYSA-N 226.194 2.255 0 40 BEAB COc1cccnc1N1C[C@H]2CCC[C@@H]2C1 527919785 KGLPVTGZUJUVSP-GHMZBOCLSA-N 218.300 2.327 0 40 BEAB CCC(NC(=O)c1ccn(C)n1)(C1CC1)C1CC1 529793293 QDSUSJFALSLLCT-UHFFFAOYSA-N 247.342 2.119 0 40 BEAB Cc1nn(C[C@H](C)C2CCCCC2)c(=O)o1 657279763 TUOBVYCXWSTNEI-VIFPVBQESA-N 224.304 2.361 0 40 BEAB CC[C@]1(C)c2c(oc(C)c(C)c2=O)CC[C@@H]1O 1772591486 CFHHZMLUIMVNSY-FZMZJTMJSA-N 236.311 2.231 0 40 BEAB c1cncc(-c2nccc(-n3cccc3)n2)c1 1390035 BWZWTGXEUIUZEX-UHFFFAOYSA-N 222.251 2.329 0 40 BEAB COc1nccc(C(Cl)(Cl)Cl)n1 1574102 KFYFSURBGYWGCJ-UHFFFAOYSA-N 227.478 2.312 0 40 BEAB CC(=O)Oc1cccc([C@@H]2OC[C@H](C)O2)c1 1679881 IPAVCRWWKPLHPU-QPUJVOFHSA-N 222.240 2.046 0 40 BEAB CCN(CC)[P@@]1(=O)OCC[C@H](C)O1 1691071 XYTACFUAYJCIHI-ISVAXAHUSA-N 207.210 2.262 0 40 BEAB CC[C@@H](CC1(C)OCC(C)(C)CO1)C(=O)O 2045091 PBHYCFVJHHCPGC-VIFPVBQESA-N 230.304 2.277 0 40 BEAB O=C(NCc1ccco1)c1cccnc1Cl 2780105 AKKKBEMDLICCRT-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB COC(=O)[C@@H]1CC(=O)CC[C@H]1c1ccccc1 6384845 AXOQDYGCCCXXHG-QWHCGFSZSA-N 232.279 2.312 0 40 BEAB O=C(Nc1ncccc1O)C1CCCCC1 9694427 KNIRDGYAYWMDCQ-UHFFFAOYSA-N 220.272 2.306 0 40 BEAB Cc1c(O)nc(-c2ccc(Cl)cc2)oc1=O 16265002 RDBXSJYMVOFHDF-UHFFFAOYSA-N 237.642 2.369 0 40 BEAB CCOC(=O)CCN[C@@H](C)c1ccccc1 19736891 HAICYMWLNNWRAE-NSHDSACASA-N 221.300 2.290 0 40 BEAB CCCN1C(=O)C2=C(CCCC2)[C@H]1OC 20123840 PEWRBKAQTIGIQA-GFCCVEGCSA-N 209.289 2.082 0 40 BEAB CC(C)OC(=O)c1ccc(Cl)cc1N 20156079 BVFALMCHEMHARZ-UHFFFAOYSA-N 213.664 2.487 0 40 BEAB CCCCS(=O)(=O)Nc1cc(N)ccc1C 20157076 ORBCUNKWNWVPNP-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB Nc1ccc(OCc2ccccc2)cc1N 22051324 UQVGKXPXBIVFMV-UHFFFAOYSA-N 214.268 2.430 0 40 BEAB in-vitro O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC1 24895209 QOEXCJUTYHLNGG-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CC(=O)O 26894864 LUDNITDSPWSZOI-IUCAKERBSA-N 243.303 2.155 0 40 BEAB CCn1nc(C)c(C(=O)NC2CCCC2)c1C 27982911 AWTMMQTXEPYCRE-UHFFFAOYSA-N 235.331 2.192 0 40 BEAB COc1ccc2c(c1Cl)CCNCC2 29060642 MTMWXZLPOFILDB-UHFFFAOYSA-N 211.692 2.037 0 40 BEAB Cc1cc(N(C)Cc2ccco2)nc(C)n1 32908931 MQPIZHBSAXHPRJ-UHFFFAOYSA-N 217.272 2.323 0 40 BEAB CN(Cc1ccco1)C[C@@H](O)c1ccccc1 33015047 DKHBYFMJLBDQPJ-CQSZACIVSA-N 231.295 2.445 0 40 BEAB CC[C@H]1CN(C(=O)NCc2ccccc2)CCO1 40067682 TYPOAFXHUMEAEL-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB Cn1c(CO)nc2cc(C(F)(F)F)ccc21 40410240 KFUAFUXUUDKMMQ-UHFFFAOYSA-N 230.189 2.084 0 40 BEAB in-vitro CC(C)=CC(=O)N[C@@H](C)c1ccncc1 41296660 HMKZGBOINIMWGW-JTQLQIEISA-N 204.273 2.225 0 40 BEAB O=C(O)C1(Cc2ccccc2)CCOCC1 61674684 VCQFYQIKERUPIO-UHFFFAOYSA-N 220.268 2.111 0 40 BEAB in-vitro CCSc1ncc(CNCC(C)C)cn1 62717301 MOVGJOHRUFDWPW-UHFFFAOYSA-N 225.361 2.334 0 40 BEAB CC(=C(C(=O)O)C(=O)O)c1c[nH]c2ccccc12 66323462 DLICVCMABOEGAP-UHFFFAOYSA-N 245.234 2.111 0 40 BEAB CC(C)Cn1nc(CN)c2ccccc21 70630838 XQUQEZVQBUPGIX-UHFFFAOYSA-N 203.289 2.151 0 40 BEAB CCOC(=O)c1ccc2[nH]c(C(=O)O)c(C)c2c1 71341329 JQJXPLZQZQGFDQ-UHFFFAOYSA-N 247.250 2.351 0 40 BEAB Brc1cnc(-c2ccccn2)nc1 72192010 UZDQWRMXMWSAQP-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB CNc1cc(C)c([C@@H]2CCCCN2)cn1 72219052 KBAIRPYVRKRJSD-NSHDSACASA-N 205.305 2.246 0 40 BEAB CN(CC1CCCCC1)C(=O)c1cnns1 76632312 MPOSQPSAXIGLFD-UHFFFAOYSA-N 239.344 2.190 0 40 BEAB COc1cccc(C(=O)OCC[C@H](C)OC)c1 78949267 JYPFYKHRPUWNGU-JTQLQIEISA-N 238.283 2.277 0 40 BEAB COc1ccc2cc(CN)c(Cl)nc2c1 89261647 ILISNQDCBTXJAT-UHFFFAOYSA-N 222.675 2.356 0 40 BEAB Cc1cc(C)cc(C(=O)CSCC(=O)O)c1 95634263 UEPMCOZXVWAYPO-UHFFFAOYSA-N 238.308 2.304 0 40 BEAB CC(C)[C@H](CCNC(=O)OC(C)(C)C)C(=O)O 96029364 WQZNLPWJNZRMIZ-VIFPVBQESA-N 245.319 2.258 0 40 BEAB C1=CC2(CCNCC2)CC[C@@H]1N1CCCC1 96240262 SJNKUOCFLBEUDD-CYBMUJFWSA-N 220.360 2.171 0 40 BEAB Cc1cccc2c1c([C@@H]1C[C@@H]1N)cn2C 96509620 SBJWMBMJRQIITF-ONGXEEELSA-N 200.285 2.301 0 40 BEAB Cc1ccc(-n2cc(CCO)c(C)n2)cc1 96517738 VYVFUNLOMWTITE-UHFFFAOYSA-N 216.284 2.024 0 40 BEAB Cc1ccc(CCC(=O)N2CCOCC2)cc1C 96621673 KVORJQGSCUIWAE-UHFFFAOYSA-N 247.338 2.095 0 40 BEAB CC(C)CCc1nnc(NCc2cnn(C)c2)o1 97045499 YMWYIZBUCGBUJC-UHFFFAOYSA-N 249.318 2.004 0 40 BEAB CO[C@H](C)C(=O)NCc1ccc(Cl)c(C)c1 97112030 KZKZKNSSVCMSKM-SECBINFHSA-N 241.718 2.300 0 40 BEAB CCCNc1cc(C)oc(=O)c1C(=O)CC 100182640 QQUQLLZQDUVMLE-UHFFFAOYSA-N 223.272 2.363 0 40 BEAB CC(=O)c1ccc([C@@H]2CCNC(=O)C2)c(C)c1 199776290 ISQQAWUYJSFQID-GFCCVEGCSA-N 231.295 2.191 0 40 BEAB COC(=O)c1cc2c(F)ccc(F)c2cn1 199823239 FYXCZXITLXYIJE-UHFFFAOYSA-N 223.178 2.300 0 40 BEAB CC[C@@H](C)Oc1ccc(/C=C/C(N)=O)cc1OC 216883871 BERAFTVDDKKLHM-QEHWCHDUSA-N 249.310 2.371 0 40 BEAB Cc1cccc([C@@H](CCO)CCN(C)C)c1 217801093 AUKGLQXQESVUAL-CYBMUJFWSA-N 221.344 2.413 0 40 BEAB CCOC(=O)c1cc(N)c(OC)cc1Cl 225732517 QJXRGVCHMSXKKA-UHFFFAOYSA-N 229.663 2.108 0 40 BEAB C[C@@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](CO)[C@@H]12 225761537 VQLQJLNARBICNV-SQQIUAQRSA-N 238.249 2.218 0 40 BEAB O=C(O)c1ccnc2[nH]cc(C(F)(F)F)c12 382738395 YGHKMFCKTQMSDH-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB CCOC(=O)c1ccnc(OC)c1C(F)(F)F 514278277 NOHATOHBYOBHTD-UHFFFAOYSA-N 249.188 2.286 0 40 BEAB CC(C)Oc1cc(F)c(F)cc1CO 725240114 ZYTHZFCRRUIUQC-UHFFFAOYSA-N 202.200 2.244 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CCC[C@@H]2N 953091174 XVRVHDJIMVKBLB-GXFFZTMASA-N 240.347 2.267 0 40 BEAB Cn1c(NC[C@@H]2CCCO2)nc2ccccc21 513577 MFAUVJJJZSLDPW-JTQLQIEISA-N 231.299 2.164 0 40 BEAB CCOP(=O)(N1CC1(C)C)N1CC1(C)C 1701030 SOYAWOSQURUWHG-UHFFFAOYSA-N 232.264 2.319 0 40 BEAB CC[C@@H]1S[C@@](CC)(CC(C)C)C(=O)NC1=O 1705154 HFERNRCGYRDAFA-CABZTGNLSA-N 243.372 2.350 0 40 BEAB C[n+]1ccc(/C=C/c2ccccc2O)cc1 1871683 STNHDPLZLNGCDM-UHFFFAOYSA-O 212.272 2.387 0 40 BEAB CCOC(=O)C(=O)Cc1ccc(Cl)cc1 2387800 SSYWONPQBLHLSL-UHFFFAOYSA-N 226.659 2.015 0 40 BEAB CCOC(=O)CC(=O)[C@H]1C[C@@H]1c1ccccc1 2527672 IQYXQOWNRBJGSQ-NEPJUHHUSA-N 232.279 2.312 0 40 BEAB CC[C@H]1Cc2cc(CC(=O)O)ccc2O1 4213413 MYQXHLQMZLTSDB-JTQLQIEISA-N 206.241 2.027 0 40 BEAB in-man CCOC(=N)c1ccc(C(=N)OCC)cc1 5315119 DMSRHQUOJVYYHU-UHFFFAOYSA-N 220.272 2.410 0 40 BEAB Cc1cccc(NC(=O)c2cnc(C)cn2)c1 6339085 IZPOYGBBJUKSPP-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB CSc1nc(Cl)c2[nH]c(Cl)nc2n1 8496800 HCDIZFGKFJHVDP-UHFFFAOYSA-N 235.099 2.382 0 40 BEAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2O)o1 9669326 LPQBIFUDGPCYHK-CYBMUJFWSA-N 243.262 2.235 0 40 BEAB Cc1ccc(OC[C@H]2CCCO2)c(N)c1 14629575 OAHGPUWZFLWSIK-SNVBAGLBSA-N 207.273 2.135 0 40 BEAB in-vitro Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 16291985 INBNTZUEACCAHO-OLZOCXBDSA-N 233.311 2.028 0 40 BEAB NCCc1ccc(C(=O)c2ccccc2)cc1 19779695 NZYXLOZUPDISMU-UHFFFAOYSA-N 225.291 2.419 0 40 BEAB Cc1nn(C2CCCCC2)c(C)c1CN 20397161 LDMZETMULDISGO-UHFFFAOYSA-N 207.321 2.464 0 40 BEAB CN(Cc1cccc(F)c1)C(=O)NC1CC1 32843664 CATJDDOOCBQTNR-UHFFFAOYSA-N 222.263 2.130 0 40 BEAB COc1cc2occ(C=O)c(=O)c2cc1Cl 33495271 MUWBTQKDKLNAPC-UHFFFAOYSA-N 238.626 2.268 0 40 BEAB c1ccc(CN2CC[C@H](CNC3CC3)C2)cc1 34264451 BMFDRCPVKBNLAA-CQSZACIVSA-N 230.355 2.261 0 40 BEAB Cc1cnc(C(=O)N(C)Cc2ccsc2)cn1 40464695 CSFXSVMIHHCPDS-UHFFFAOYSA-N 247.323 2.119 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccoc2)C1 40480557 ZEQJSJVYKOXNKP-NXEZZACHSA-N 207.273 2.398 0 40 BEAB O=C(C1CC1)N1CCC(c2nccs2)CC1 40623311 DZWWMSIXICNRKF-UHFFFAOYSA-N 236.340 2.259 0 40 BEAB Cc1cc(NC(=O)CCc2ccccc2)[nH]n1 42653692 GFHPGCKEOBLEHY-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB C[C@H](NC(=O)NCc1ccccc1)[C@@H]1CCCO1 43728366 SYQCDGBJUOGBID-AAEUAGOBSA-N 248.326 2.053 0 40 BEAB CCCc1cc(C(=O)N2CCCC[C@H]2C)[nH]n1 44859462 RYJWPIKQXJSBMQ-SNVBAGLBSA-N 235.331 2.377 0 40 BEAB Cc1ccc(OC[C@@H](O)CN2CCCC2)c(C)c1 46344915 HMXWEHMRCLHVGB-AWEZNQCLSA-N 249.354 2.139 0 40 BEAB O=C(Nc1cccc2cccnc12)c1ccon1 48302607 BYPCPIOHAAMPGY-UHFFFAOYSA-N 239.234 2.475 0 40 BEAB CCCCN1CC(=O)N=C1Nc1ccccc1 57919408 AOJCVVIAQPLWDV-UHFFFAOYSA-N 231.299 2.097 0 40 BEAB NCCOc1ccc(-c2ccc(Cl)cc2)nn1 61957825 KAXWAWXKAMINMZ-UHFFFAOYSA-N 249.701 2.135 0 40 BEAB NC(=O)CCc1cccc(OC2CCCC2)c1 67899964 WEQVYXYRLYNHCC-UHFFFAOYSA-N 233.311 2.426 0 40 BEAB CC(C)Cc1ccc([C@@H](CN)N(C)C)cc1 71522715 UJMFIEQKFTVCQD-CQSZACIVSA-N 220.360 2.447 0 40 BEAB in-vitro O=C(O[C@@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@@H]1C2 71789814 MHUBFPQGHSPRRB-IRCOFANPSA-N 222.284 2.268 0 40 BEAB OCc1cc2c([nH]1)CCN(Cc1ccccc1)C2 72206955 KZWRURPTRKLJSY-UHFFFAOYSA-N 242.322 2.065 0 40 BEAB c1ccc(Cc2cncc([C@H]3CCCN3)n2)cc1 72344161 SNQNPOUZNTWAMD-CQSZACIVSA-N 239.322 2.492 0 40 BEAB NCc1ccc([C@H](O)c2ccccc2)s1 75468529 AZXLOZAAYFBNOG-GFCCVEGCSA-N 219.309 2.289 0 40 BEAB C[C@@H](N)c1nc(-c2ccccc2Cl)n[nH]1 82510282 XECPOLZEYCMZPJ-ZCFIWIBFSA-N 222.679 2.145 0 40 BEAB COC(=O)c1cc(C)c(Cl)cc1OC 82724844 BHDSOPMNWOXJJV-UHFFFAOYSA-N 214.648 2.444 0 40 BEAB CCOC(=O)c1cnc2cc(OC)ccc2c1 91692633 MHONKQIXMNJTGY-UHFFFAOYSA-N 231.251 2.420 0 40 BEAB in-vitro Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C)n1 95410699 XQMSLJCPUKNHFK-RYUDHWBXSA-N 217.316 2.330 0 40 BEAB Cc1cc(CN[C@H](CCO)c2ccccc2)no1 95984412 KQYQBNAGSQQZLM-CQSZACIVSA-N 246.310 2.196 0 40 BEAB Cc1ncccc1OCc1nnc(C2CC2)o1 97082587 RZSGZEHSHONELD-UHFFFAOYSA-N 231.255 2.229 0 40 BEAB CC1(C)C[C@@H](O)CCN1Cc1ccccc1 148371532 PQOBJUIKMNOJMP-ZDUSSCGKSA-N 219.328 2.422 0 40 BEAB Cn1cncc1C(F)(F)C(F)(F)F 169798922 LDESSZQBDWYHCZ-UHFFFAOYSA-N 200.110 2.074 0 40 BEAB Cn1cc(-c2ccccc2Cl)nc1N 199559915 XFIVAGWPUFUFOO-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB CCOC(=O)[C@H]1CCC[C@H]2O[C@@H](C)[C@@H](C)[C@H]12 225760171 CRSCRJHTAPGPGQ-YBXAARCKSA-N 226.316 2.389 0 40 BEAB Cc1cc(NCc2ccnn2C(C)C)nn1C 256052357 MZXGRJKWSKBNSE-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CCCn1cc(CNc2nn(C)cc2C)c(C)n1 256054208 VKZXVFGRTHQMOI-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CNc1nc([C@H]2CCCCN2)c2sccn12 257290573 QDLUJRWFGSJEDH-MRVPVSSYSA-N 236.344 2.252 0 40 BEAB Cc1c(-c2nnc(S)o2)sc(=S)n1C 524735066 RZFOXNGUPHDSPQ-UHFFFAOYSA-N 245.354 2.463 0 40 BEAB c1c(CNC2CCCC2)nnn1C1CCC1 585091507 NEPINUSXAKCKQI-UHFFFAOYSA-N 220.320 2.035 0 40 BEAB COC(=O)C[C@H]1COc2ccc(Cl)cc21 585656391 RTGAANFXGZHDHK-ZETCQYMHSA-N 226.659 2.379 0 40 BEAB CCc1c(C)[nH]c2cccc(O)c2c1=O 685938218 GKOJNOGVMZHIOW-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB C[C@H](n1ncc2cccnc2c1=O)C(C)(C)C 899355903 DPNLWBGISIQNNA-VIFPVBQESA-N 231.299 2.399 0 40 BEAB Cc1cc(C)n(C(=O)c2c(F)cccc2F)n1 37162 DYNZIFXNSLSDSA-UHFFFAOYSA-N 236.221 2.467 0 40 BEAB COc1ccccc1N1CCN(C(C)C)CC1 1664856 LUCSOMIVZJTSBJ-UHFFFAOYSA-N 234.343 2.226 0 40 BEAB O=C1N[C@@H](c2ccccc2)Cc2ccncc21 1724161 GIILRFOFEZTAPQ-CYBMUJFWSA-N 224.263 2.109 0 40 BEAB biogenic CCCCNC(=O)NCCN(C)c1ccccc1 1738905 JFVPPMIFFZGOHP-UHFFFAOYSA-N 249.358 2.222 0 40 BEAB CCCCCOc1ccc(C(N)=O)cc1 2512559 GSYPSPBOERIZHM-UHFFFAOYSA-N 207.273 2.355 0 40 BEAB COc1cc(-c2ccc(Cl)cc2)nc(N)n1 4323873 PRZDKABWAYGWES-UHFFFAOYSA-N 235.674 2.388 0 40 BEAB CCN(CC)C(=O)c1cc(OC)cc(OC)c1 5452876 PECSIVWYAKBXFM-UHFFFAOYSA-N 237.299 2.186 0 40 BEAB O=C(O)C(=O)Cc1cccc2ccccc12 5518888 MSCJSMVNUFGBHB-UHFFFAOYSA-N 214.220 2.036 0 40 BEAB CCOC[C@H]1COC2(CCCCC2)O1 5575759 PZOGINDITBDKEM-JTQLQIEISA-N 200.278 2.099 0 40 BEAB Brc1ccccc1OC[C@@H]1CO1 5771668 CFPYDAOUKFUDEY-ZETCQYMHSA-N 229.073 2.227 0 40 BEAB CCC(CC)(NC)[C@@H](O)c1ccccc1 5964836 WHBFWLGMOIRXBA-LBPRGKRZSA-N 207.317 2.498 0 40 BEAB C[C@@H](CC(=O)Nc1ccccc1)n1ccnc1 6908458 GPXFAKIOKWJEMV-NSHDSACASA-N 229.283 2.473 0 40 BEAB COc1ccc(CNC(=S)NC(C)C)cc1 7556405 CWNOKTWAXCWZET-UHFFFAOYSA-N 238.356 2.068 0 40 BEAB O=Cc1cccn1-c1cc(Cl)ccn1 8991049 ABTWKDJXKOPRFL-UHFFFAOYSA-N 206.632 2.338 0 40 BEAB Cc1nc2ccccc2nc1N1CCO[C@H](C)C1 12911242 GNCUOFOJWHWNND-SNVBAGLBSA-N 243.310 2.163 0 40 BEAB C[C@@H](C(=O)N1CCc2ccccc21)n1cccn1 12917568 ISHYLCOUJUSFIB-NSHDSACASA-N 241.294 2.033 0 40 BEAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1 12985362 WQROHDSVCZRZGO-SNVBAGLBSA-N 248.326 2.176 0 40 BEAB Nc1nnc(-c2ccc(F)cc2F)s1 15415925 QKIWNFVWVFZFFG-UHFFFAOYSA-N 213.212 2.066 0 40 BEAB NC[C@H]1CCCN(CCc2cccc(F)c2)C1 16941947 QJIDWZVKZQJZID-CYBMUJFWSA-N 236.334 2.039 0 40 BEAB Oc1cccc(CNc2ccccn2)c1 19776920 ZGLJYAOGVJLKLM-UHFFFAOYSA-N 200.241 2.399 0 40 BEAB C[C@H]1CN(C(=O)C2CC2)c2ccccc2NC1=O 21793331 BBKBJRKGSIWUCI-VIFPVBQESA-N 244.294 2.018 0 40 BEAB CC(C)(C)OC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 22113938 NFRPKIATGQQKHI-BDAKNGLRSA-N 228.288 2.219 0 40 BEAB NC(=O)[C@@H](NCc1cccs1)c1ccccc1 26219054 CLNALQRJQUMKJP-LBPRGKRZSA-N 246.335 2.064 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CC(=O)O 26894859 LUDNITDSPWSZOI-BDAKNGLRSA-N 243.303 2.155 0 40 BEAB COC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 30769214 KKTZMJBNTHXASE-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB in-vitro Cc1cc(N2CCNCC2)c2cc(F)ccc2n1 32500256 GAKAFZDNVSYHHC-UHFFFAOYSA-N 245.301 2.092 0 40 BEAB Cc1cnc(C(=O)N(C)[C@H](C)C(C)(C)C)cn1 32788179 USMPOWLCVQMSPV-SNVBAGLBSA-N 235.331 2.292 0 40 BEAB Nc1nc2cc(OC(F)(F)F)ccc2[nH]1 34348584 PKVNYLKKHHYCHH-UHFFFAOYSA-N 217.150 2.044 0 40 BEAB CC[C@](N)(C(=O)OC)c1ccc(Cl)cc1 37459607 RDTRIOBNZFXHES-LLVKDONJSA-N 227.691 2.077 0 40 BEAB CCN(CC)C(=O)CSc1ccc(O)cc1 37995622 HXETUEFBZYUPHN-UHFFFAOYSA-N 239.340 2.353 0 40 BEAB CCCC[C@H](CC)C(=O)OC[C@@H](C)O 38615290 RCYYLBZELJCFBT-ZJUUUORDSA-N 202.294 2.127 0 40 BEAB Clc1ccc2c(c1)CC1(CCNCC1)O2 39275827 BDYDBRINEAMBRZ-UHFFFAOYSA-N 223.703 2.397 0 40 BEAB CCn1c(C)cc(=O)c2cc(F)ccc21 40164107 OKKKSNDFNWGILW-UHFFFAOYSA-N 205.232 2.469 0 40 BEAB Cc1cccc(OCCN2CCC(CO)CC2)c1 41304177 FLZMXVVSIKLECK-UHFFFAOYSA-N 249.354 2.078 0 40 BEAB CC(C)c1nc(CN2CCOCC2)cs1 51151143 NQPPENHEGDFETI-UHFFFAOYSA-N 226.345 2.099 0 40 BEAB O=C1NCCC[C@H]1c1cccc(Cl)c1 57496062 RVBIIAQUQRRGRW-JTQLQIEISA-N 209.676 2.334 0 40 BEAB CCCNC(=O)NCCOc1ccc(C)cc1 57573348 ZXNCJVBGKVXDFE-UHFFFAOYSA-N 236.315 2.083 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)O)c1 62713994 XIQGGSRGDTUMQB-BZHVJNSISA-N 222.284 2.188 0 40 BEAB Cn1cccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 67502782 ZWVWZXPQMQQUBT-CHWSQXEVSA-N 240.306 2.311 0 40 BEAB O=C(NCCc1ccco1)OCC(F)(F)F 69418741 WLHQJVIIDPCGKK-UHFFFAOYSA-N 237.177 2.111 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@@H](CO)CN2 71486747 RCOBPXQABAONOJ-SECBINFHSA-N 205.301 2.486 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccncc1C 72219547 UMYQMRRVULPYPV-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB Cn1cc(-c2cc(CO)c3ccccc3n2)cn1 72339614 LPQWIAGZSYICRJ-UHFFFAOYSA-N 239.278 2.128 0 40 BEAB Cc1cc(Br)cc2nn[nH]c12 73633822 AWZVOWGMSCDYMP-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB NCC[C@H](O)c1cccc2ccccc12 82638905 YZNUBSLKCGQZOI-ZDUSSCGKSA-N 201.269 2.222 0 40 BEAB O=C(O)C(F)(F)C(F)(F)/C(F)=C\Cl 83325977 VVMMFOBAGFALDI-OWOJBTEDSA-N 224.512 2.391 0 40 BEAB Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 90397580 GDIHEVJUQKPSNC-LLVKDONJSA-N 246.310 2.046 0 40 BEAB CCCCC(=O)N1CCC[C@]2(CCCCN2)C1 96047402 NGMBSZQCDGBSKA-CQSZACIVSA-N 238.375 2.311 0 40 BEAB c1coc(-c2ccnc3nc(C4CC4)nn23)c1 96345078 HWKAOOFOXSLWQT-UHFFFAOYSA-N 226.239 2.262 0 40 BEAB Cc1noc(NCc2cc(F)ccc2F)n1 96485560 XNSZOICLIUTMTF-UHFFFAOYSA-N 225.198 2.268 0 40 BEAB Oc1c2c(nn1C1CCCCC1)NCCC2 110751828 BCXZNTDQYULNNE-UHFFFAOYSA-N 221.304 2.452 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](N)C1 148754569 WFNGGMDLHFWFRK-UWVGGRQHSA-N 228.336 2.029 0 40 BEAB CC(=O)NCc1cccc(CN2CCCCC2)c1 205909213 SLONORZYJRMZBV-UHFFFAOYSA-N 246.354 2.309 0 40 BEAB Cc1ccc(OCc2ncc(C=O)cn2)c(C)c1 217378283 AIPWMIQRFQLKDA-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB Cc1ccc(NC(=O)N/C=C/C(=O)O)c(C)c1 222695039 FLAHYXMMSOLAHP-AATRIKPKSA-N 234.255 2.023 0 40 BEAB CC(C)Nc1cncc(Br)c1N 225742607 QHAQUMBVRLTQQN-UHFFFAOYSA-N 230.109 2.247 0 40 BEAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2 252584779 CVDQDQYMGSDCEG-QEHJDLSMSA-N 249.354 2.106 0 40 BEAB O=C1c2ccccc2CN1Cc1cccnc1 256050726 GGFCLQWANFVAGI-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB Fc1cnc(N2CCOc3ccccc3C2)nc1 575607971 VJZICVWEMFMFIW-UHFFFAOYSA-N 245.257 2.015 0 40 BEAB C[C@]12CO[C@]3(CC(=O)O)C[C@H]1CC[C@@]32C 583929822 KTFKVVRJTGCJAA-KLHWPWHYSA-N 210.273 2.056 0 40 BEAB Cc1cc(CNC2(C)COC2)c2c(n1)CCCC2 895752569 ARKFKTWVKGMRDY-UHFFFAOYSA-N 246.354 2.147 0 40 BEAB Cc1ccc(C(=O)C2CCNCC2)cc1 110326 REVMVHLEQMHABW-UHFFFAOYSA-N 203.285 2.177 0 40 BEAB in-vitro O=C(NCc1ccco1)c1ccnc(Cl)c1 166945 VKBAYCJFHARJOS-UHFFFAOYSA-N 236.658 2.258 0 40 BEAB in-vitro FC(F)(F)c1ccc2nnc(S)n2c1 203877 KQDBGOYFEMRBJM-UHFFFAOYSA-N 219.191 2.037 0 40 BEAB in-vitro Cc1ccc2nc(N3C(=O)CCC3=O)sc2c1 2697031 FALQMEHXDIYIKB-UHFFFAOYSA-N 246.291 2.258 0 40 BEAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O 3269714 CEWWDXIXQSJKBJ-GFCCVEGCSA-N 249.310 2.224 0 40 BEAB in-vitro C[C@H](SC(=S)N1CCCCCC1)C(=O)O 4832262 IYNFJAREUQGZPT-QMMMGPOBSA-N 247.385 2.354 0 40 BEAB Cc1n[nH]c(C)c1CCNC1CCCCC1 5003098 QAZMNIIVQGZEOE-UHFFFAOYSA-N 221.348 2.491 0 40 BEAB CN(C)c1ccnc(-c2cc(N(C)C)ccn2)c1 5965417 IHULFFMBCBEJPL-UHFFFAOYSA-N 242.326 2.276 0 40 BEAB CN(C)[C@@H](CNc1ncccn1)c1ccccc1 7003452 MMBWRKVMICHSEQ-ZDUSSCGKSA-N 242.326 2.191 0 40 BEAB OC[C@@H]1CCN(c2ccccc2Cl)C1 11892857 RCAXNMIJWWVADB-SECBINFHSA-N 211.692 2.159 0 40 BEAB in-vitro COc1ncccc1C(=O)NC1CCCCC1 12937429 IGUSSOCBATWFDB-UHFFFAOYSA-N 234.299 2.153 0 40 BEAB N=C1NC(=O)/C(=C/CCc2ccccc2)S1 16478806 BPNHHEGMWJDFOD-NTMALXAHSA-N 232.308 2.301 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccc(C(=O)O)cc1 19471716 FYCRGIYUOLGKQR-MQQKCMAXSA-N 231.251 2.456 0 40 BEAB in-vitro Nc1ccccc1Sc1nncs1 19845683 CJBSPMNTGXDOHJ-UHFFFAOYSA-N 209.299 2.272 0 40 BEAB in-vitro CC[C@](C)(C(=O)O)N1C[C@H](C)C[C@@H](C)C1 22122823 VFSIRZHPFARYNZ-CKYFFXLPSA-N 213.321 2.218 0 40 BEAB C[C@H](NC(=O)C1CC1)c1ccc2c(c1)OCO2 28305239 WPKIOJRYPYOONF-QMMMGPOBSA-N 233.267 2.003 0 40 BEAB CN(C)C(=O)[C@H]1CCCc2ccccc21 32759899 YOWLFTMCSSZGOE-LBPRGKRZSA-N 203.285 2.195 0 40 BEAB CC(C)(C)OC(=O)CC(=O)c1ccco1 34217149 LWVMUVMFCBRFHE-UHFFFAOYSA-N 210.229 2.194 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCO[C@H](C)C2)c1 40477905 MSIIEPWZHCAUQE-GFCCVEGCSA-N 233.311 2.164 0 40 BEAB CNCc1cccc(Br)c1OC 42411550 GRWGTHXCZOZGMQ-UHFFFAOYSA-N 230.105 2.177 0 40 BEAB in-vitro Cc1cc(NC(=O)c2ccc(F)cc2)[nH]n1 42653301 FCLNZFDBOACSBX-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB CCCC[C@@H](CC)CN1CCCNCC1 43454333 AJNBJXDYOHWIEI-CYBMUJFWSA-N 212.381 2.498 0 40 BEAB c1ccc2c(c1)ncn2C[C@H]1CCCCN1 43494233 SNCQCPPARHBKAC-LLVKDONJSA-N 215.300 2.178 0 40 BEAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C)no1 44633353 KFQKLEKLQVBOBR-PEXQALLHSA-N 234.299 2.303 0 40 BEAB Cc1ncsc1C(=O)NC1CCCC1 46565308 BAKSPJAYRJNEFA-UHFFFAOYSA-N 210.302 2.124 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)N(C)CCO2 62571467 POJGFJVXLKHVNZ-UHFFFAOYSA-N 234.299 2.254 0 40 BEAB C[C@@H]1CNCCN1Cc1cccc(Cl)c1F 67800343 GUJMTQIQOFQARJ-SECBINFHSA-N 242.725 2.273 0 40 BEAB Cc1cccc(S[C@@H]2CCN(C)C2=O)c1 70040134 BQAKUSAVUGZTGA-LLVKDONJSA-N 221.325 2.318 0 40 BEAB O=Cc1ccc(OCc2ccccc2)nc1 71250495 BBTGUOBUBJNAGS-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB in-vitro Clc1ccc(CNC[C@@H]2CCCNC2)cc1 72203324 JORURHDRVJYWJS-GFCCVEGCSA-N 238.762 2.429 0 40 BEAB C[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208740 MFZDEMSNUTXFJE-ZJUUUORDSA-N 229.320 2.014 0 40 BEAB O=CN1CCC[C@@H]1c1ccc2[nH]ccc2c1 72221720 JUQGSTPAVLYTKV-CYBMUJFWSA-N 214.268 2.461 0 40 BEAB C=Cc1cnc(N2CCN(CC)CC2)c(C)c1 72222597 UTFRDVWVQFOFOT-UHFFFAOYSA-N 231.343 2.175 0 40 BEAB CCCn1cc(-c2nccc(Cl)n2)cn1 72226226 NGDXXGNBBLIKNM-UHFFFAOYSA-N 222.679 2.404 0 40 BEAB CCOc1ccccc1C(=O)Nc1cnoc1 75170835 KACVIVNWYAQHNE-UHFFFAOYSA-N 232.239 2.326 0 40 BEAB CC(=O)c1cc(N)ccc1Br 82048764 PNZIHAVVVVPFDZ-UHFFFAOYSA-N 214.062 2.234 0 40 BEAB CN(C)c1ccc(Br)cc1C(=O)O 86684554 CYTXUPXHVXSDML-UHFFFAOYSA-N 244.088 2.213 0 40 BEAB Nc1ccc2c(N3CCCCC3)ncnc2c1 87819594 BXNJESQABWUILY-UHFFFAOYSA-N 228.299 2.202 0 40 BEAB O=C(c1ccoc1)N1CCOC2(CCCC2)C1 89885133 RCDDQRADQDGALH-UHFFFAOYSA-N 235.283 2.065 0 40 BEAB O=C(N[C@H]1CCC[C@H](C2CC2)C1)C1CC1 95401257 LYASYPJZWXINTL-RYUDHWBXSA-N 207.317 2.481 0 40 BEAB Clc1nnc2ccc(Br)cn12 95627210 PEKLXNPEIBPNKV-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB in-vitro CCOC(=O)c1cccc(F)c1C(=O)OCC 95830524 UYLPXIAVONWVOP-UHFFFAOYSA-N 240.230 2.179 0 40 BEAB CO[C@@H]1CCCC[C@H]1N[C@@H]1CCSC1 96478623 UDXPMZQHAYZHAC-GMTAPVOTSA-N 215.362 2.039 0 40 BEAB c1cc([C@@H]2CCCNC2)n(C2CCC2)n1 96509754 SATHZSSEKZVQIS-SNVBAGLBSA-N 205.305 2.075 0 40 BEAB NC[C@H]1CCCCN1CCC1CCCC1 96523616 BWROVJAJIZRKEO-CYBMUJFWSA-N 210.365 2.380 0 40 BEAB CCc1cc(OC)c(C(=O)OC)s1 96528518 ZGXAFNWOHPRERQ-UHFFFAOYSA-N 200.259 2.106 0 40 BEAB C[C@@H]1C[C@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 97235819 RXOBDRVVAUZKKE-MNOVXSKESA-N 249.358 2.488 0 40 BEAB CN(C)C(=O)CSc1ccc2ccccc2n1 97513921 HYXRPJFQLPOEFY-UHFFFAOYSA-N 246.335 2.415 0 40 BEAB COc1ccc([C@@H]2C=C(C)Nc3nncn32)cc1 102435570 IUQIPGUGGFPSAQ-LBPRGKRZSA-N 242.282 2.205 0 40 BEAB CC(C)c1nsc(N[C@H]2C[C@H]3CC[C@H]2O3)n1 107518556 NMIMMIDJVAQSDO-HRDYMLBCSA-N 239.344 2.393 0 40 BEAB FC(F)(F)c1cccc(Cn2cncn2)c1 108658261 JHXSGWNCHWZAKL-UHFFFAOYSA-N 227.189 2.345 0 40 BEAB O=Cc1cccnc1OCc1ccccc1 164141499 UUGVNZBUTFREOG-UHFFFAOYSA-N 213.236 2.473 0 40 BEAB in-vitro CCc1ccc(C(=O)c2ccncc2N)o1 199712427 KIGIHYRMYFSJTC-UHFFFAOYSA-N 216.240 2.050 0 40 BEAB C[C@H]1C[C@](C)(NC(=O)OC(C)(C)C)CC1=O 217892190 QMDBRAGBGCRPGM-UFBFGSQYSA-N 227.304 2.269 0 40 BEAB C[C@H](N[C@@H]1CCC[C@H]1N)c1ccccc1 242688178 VJNYIIHZUKMQSU-CYZMBNFOSA-N 204.317 2.217 0 40 BEAB Cc1cc(O)cc(=O)n1Cc1ccc(F)cc1 257198034 QVLRZAXGRBUIFK-UHFFFAOYSA-N 233.242 2.050 0 40 BEAB Fc1cccnc1OC[C@H]1CCCOC1 585655061 XWQHEPSUUOMYDB-VIFPVBQESA-N 211.236 2.026 0 40 BEAB Cc1cnn2c(N)cc(-c3ccc(F)cc3)nc12 1548918918 PVPIJFAYTZJABI-UHFFFAOYSA-N 242.257 2.426 0 40 BEAB Cc1csc(CC(=O)c2ccc(O)cc2O)n1 138761 WGJPTRBWBYISKU-UHFFFAOYSA-N 249.291 2.288 0 40 BEAB COn1c(-c2ccccc2)nc2c1CCCC2=O 1294483 PBOGRXPGURONCR-UHFFFAOYSA-N 242.278 2.128 0 40 BEAB COc1ccc2c(c1)[C@]1(C)CC[C@H](C2=O)C1=O 1303466 XIGDPSJUSUDMTG-YGRLFVJLSA-N 230.263 2.128 0 40 BEAB CC(=O)C[C@]1(O)C(=O)c2cccc3cccc1c23 1681514 ZPQXEABZGWHBCR-OAHLLOKOSA-N 240.258 2.203 0 40 BEAB CCOC(=S)SC(=S)OCC 2146673 ALGQDBJUFSYDLA-UHFFFAOYSA-N 210.345 2.362 0 40 BEAB COC(=O)c1cc2c(nc3sccn32)s1 4002433 YWZNRXUWZQRMGV-UHFFFAOYSA-N 238.293 2.397 0 40 BEAB N=C1SCC(=O)N1c1ccccc1Cl 4093670 ONHZMRWBSGAEDA-UHFFFAOYSA-N 226.688 2.355 0 40 BEAB COC(=O)CCNC1CCCCCCC1 6051598 IHBLPVMQCVXRNT-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB CNC(=O)c1cc2cc(F)ccc2s1 7038951 OJNGWWGVHLRANK-UHFFFAOYSA-N 209.245 2.400 0 40 BEAB O=c1cc(N2CCCC2)c(-c2ccccc2)n[nH]1 13597027 QQLIGFIRYSYSTI-UHFFFAOYSA-N 241.294 2.037 0 40 BEAB Cc1nnc(NC(=O)[C@H]2CC=CCC2)s1 15324583 OGOZQAKIXDBKNX-QMMMGPOBSA-N 223.301 2.141 0 40 BEAB CCOC(=O)OCC(F)(F)C(F)(F)F 15443008 NBYIBDCXTMTKLX-UHFFFAOYSA-N 222.109 2.357 0 40 BEAB in-vitro O=C(O)CCCNc1ccc(C(F)(F)F)cn1 19473049 MNQZWJWVLSAYMS-UHFFFAOYSA-N 248.204 2.377 0 40 BEAB CCOC(=O)[C@]12CC=CCN[C@@H]1CCCC2 19530255 UYJXSESXJSHLID-DGCLKSJQSA-N 223.316 2.028 0 40 BEAB N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 20261198 XURCCJOGZFFRKU-QWHCGFSZSA-N 213.284 2.070 0 40 BEAB in-vitro OCC[C@H]1CCCCN1Cc1ccsc1 23115053 VBRRRWYYODKMGW-GFCCVEGCSA-N 225.357 2.485 0 40 BEAB COC[C@@H](C)Nc1nc2ccccc2o1 32905344 SSWPEWAZLVQXLH-MRVPVSSYSA-N 206.245 2.275 0 40 BEAB COc1cccc(-c2cccc(OC)n2)n1 33948356 VTQFXXAIEGWEIA-UHFFFAOYSA-N 216.240 2.161 0 40 BEAB Cc1ccc(N2CCC(=O)C2)cc1Cl 37239839 GSGSHCQXIADIJW-UHFFFAOYSA-N 209.676 2.428 0 40 BEAB CCC(=O)N1CCO[C@H](c2ccccc2F)C1 41171595 OHWRJWICMAUKLQ-LBPRGKRZSA-N 237.274 2.136 0 40 BEAB Fc1ccc(COCC2CCNCC2)c(F)c1 42782977 UBMLJYFBRDSCRX-UHFFFAOYSA-N 241.281 2.481 0 40 BEAB COCC(=O)c1cc(F)c(Cl)c(F)c1 43504724 NMRMZKVHRIOVKC-UHFFFAOYSA-N 220.602 2.447 0 40 BEAB Fc1cncc2c(Br)c[nH]c12 44700052 LAPYNKHCPHWRGU-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB in-vitro C[C@H](c1cccc(Cl)c1)N(C)CCO 62016047 AKQGXOAWWQTUCZ-SECBINFHSA-N 213.708 2.325 0 40 BEAB CC(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 67800941 MKWVEGFRVLKKGA-LLVKDONJSA-N 242.363 2.241 0 40 BEAB CCCN(Cc1cccnc1)C[C@@H]1CCCO1 69452391 YBXQWRPVZBJGHE-AWEZNQCLSA-N 234.343 2.473 0 40 BEAB Cc1nc(CSc2ccc(Cl)nn2)no1 69892384 YNQPSMHHXGFRHE-UHFFFAOYSA-N 242.691 2.114 0 40 BEAB Cc1cncc([C@H]2CCCCN2C=O)c1 72211373 XKBATCRBJZIYNN-GFCCVEGCSA-N 204.273 2.073 0 40 BEAB CCN1C(=O)[C@](C)(CCC(=O)O)c2ccccc21 72220936 BFVGSDZBMRANFM-CQSZACIVSA-N 247.294 2.176 0 40 BEAB O=C(C1CCCC1)N1CCC[C@H]1c1cc[nH]n1 72357214 PQAPZBTWCCGQME-LBPRGKRZSA-N 233.315 2.263 0 40 BEAB CCCc1ccc([C@@H](N)CC(=O)O)cc1 75450259 JPRNUAIHZPMLDS-NSHDSACASA-N 207.273 2.114 0 40 BEAB C[C@](O)(CNc1ccccn1)c1ccccc1 79311312 JLGQVLSMOLMIDA-AWEZNQCLSA-N 228.295 2.401 0 40 BEAB CCCOc1ccc(-c2nnc(N)o2)cc1 82537104 BRDWCGDZXRFNPP-UHFFFAOYSA-N 219.244 2.108 0 40 BEAB FC(F)Oc1ccncc1Br 96395122 NGPXEJVJBMWMCM-UHFFFAOYSA-N 224.004 2.446 0 40 BEAB COC(=O)c1cc(OC(C)C)cs1 96511047 RJFYVZCHHCSMRM-UHFFFAOYSA-N 200.259 2.322 0 40 BEAB C[C@@H](C(=O)Nc1cnccn1)c1cccc(F)c1 97379883 LWFILCKJPOCTCL-SECBINFHSA-N 245.257 2.358 0 40 BEAB Nc1[nH][nH]c(=O)c1-c1cccc2ccccc12 100029155 AKHJHVKINDVQSM-UHFFFAOYSA-N 225.251 2.105 0 40 BEAB O=C(NC1CCCC1)N1C[C@H]2CCC[C@@H]2C1 130417037 VRHFVEQFBGDWQJ-GHMZBOCLSA-N 222.332 2.371 0 40 BEAB C[C@@H](CO)[C@@H]1CCCN1C(=O)OC(C)(C)C 214630720 CZGGVYDUTBZKDK-UWVGGRQHSA-N 229.320 2.014 0 40 BEAB CCOC[C@H](O)COc1c(C)cccc1Cl 225570789 DWBDNHVZFATHNV-JTQLQIEISA-N 244.718 2.425 0 40 BEAB CCN1C[C@H](C)N(CCOCC(C)C)C[C@H]1C 330032662 QJWPVOFOEUMKHM-KGLIPLIRSA-N 242.407 2.074 0 40 BEAB Cn1ccc(CNC(=O)N2CCCC2(C)C)c1 336537811 RKROOCOOPYZAMW-UHFFFAOYSA-N 235.331 2.109 0 40 BEAB COCc1nn(CC(C)C)cc1Br 408715146 BQODNBIEZBUHMB-UHFFFAOYSA-N 247.136 2.448 0 40 BEAB Cc1ccc2c(c1)CCN(Cc1nncs1)C2 1333015249 VJYQUUPVKGZXLZ-UHFFFAOYSA-N 245.351 2.405 0 40 BEAB COc1cccc(NC2=NCCS2)c1 1574711 MDRGMHKOGQLNTM-UHFFFAOYSA-N 208.286 2.210 0 40 BEAB Clc1ccc2oc(N3CCOCC3)nc2c1 1608249 LDOYAIFMBIJNAG-UHFFFAOYSA-N 238.674 2.318 0 40 BEAB N[C@@H](c1ccccc1)[C@H](O)c1ccc(O)cc1 1668348 YQLYRTPHCSXQLY-UONOGXRCSA-N 229.279 2.126 0 40 BEAB COc1cccc(C(C)(C)CC(=O)O)c1 1765759 PQCCYNQTAVKUEL-UHFFFAOYSA-N 208.257 2.448 0 40 BEAB COc1ccccc1NC(=O)NC(C)C 2165944 AGVNZOGPYYNCPV-UHFFFAOYSA-N 208.261 2.225 0 40 BEAB c1ccc2c(NC[C@H]3CCCO3)ncnc2c1 2477331 UFAXTUSUCTWHKS-SNVBAGLBSA-N 229.283 2.221 0 40 BEAB COc1cc(O)c(C(C)=O)cc1Cl 2529830 NFGYJIJDICKJJL-UHFFFAOYSA-N 200.621 2.257 0 40 BEAB CC(C)CCCCCO[C@@H]1CCS(=O)(=O)C1 3098907 SJOZVXIUDXCNFB-GFCCVEGCSA-N 248.388 2.407 0 40 BEAB CC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3 3960339 SDSGISCYQWUIMI-LBPRGKRZSA-N 245.322 2.178 0 40 BEAB in-vitro O=C(NCc1ccc(F)cc1)c1ccccn1 5466696 NZNPYKWNAVHQQQ-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB O=C1c2cc(Cl)ccc2N[C@H](O)c2cccn21 5495723 PESWRATVXFAYBG-LLVKDONJSA-N 248.669 2.246 0 40 BEAB O=C1[C@H]2CCCCN2C(=S)N1c1ccccc1 6096755 SUDAWXPSCFXQTB-LLVKDONJSA-N 246.335 2.173 0 40 BEAB O=C(NCCc1c[nH]cn1)c1ccc(Cl)cc1 6448113 JNZLOCPWBCJEIN-UHFFFAOYSA-N 249.701 2.036 0 40 BEAB C[C@H]1CC(=O)N=C(SCc2ccccc2)N1 6795624 VYRUXUFETPPKGS-VIFPVBQESA-N 234.324 2.184 0 40 BEAB COc1ccc(C(=O)O)cc1N1CCCCC1 8701846 ROVQYZOMIWXLCW-UHFFFAOYSA-N 235.283 2.384 0 40 BEAB COc1ccc2c3c(cnc2c1)[P@@](C)(=O)CC3 11535652 ZKCYDVSDIAVMMB-KRWDZBQOSA-N 247.234 2.418 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(CC(=O)O)cc1 11639047 HKEOQGPWBWJGRT-UHFFFAOYSA-N 235.283 2.298 0 40 BEAB CC(C)(C)c1ccc(-c2nnc(S)n2N)cc1 17957782 SWQCDNFKIGLZDF-UHFFFAOYSA-N 248.355 2.245 0 40 BEAB C[C@H]1CCCN(Cc2ccc(C(=N)N)cc2)C1 19437464 WNLYZIYEIXEIGU-NSHDSACASA-N 231.343 2.203 0 40 BEAB COc1ccc(CO)cc1OCc1cccnc1 20032349 HDQANXDQSRTKRO-UHFFFAOYSA-N 245.278 2.162 0 40 BEAB Cc1cc(NCc2ccc(F)cc2)nn1C 20350325 CGNSFXBJVHPJGV-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB COc1ccc2nc(CNC(C)C)[nH]c2c1 22122092 RCAPSCUYQSDJHM-UHFFFAOYSA-N 219.288 2.070 0 40 BEAB CC(C)C(=O)N1CCO[C@@H](c2ccccc2)C1 24012960 TVWTXCGVYRYCLS-CYBMUJFWSA-N 233.311 2.243 0 40 BEAB C[C@H]1CN(C(=O)Nc2ccc(F)cc2)CCO1 24014496 WTRJNXUHKZCGHT-VIFPVBQESA-N 238.262 2.078 0 40 BEAB Cc1ccccc1C(=O)N[C@@H](C)c1cnn(C)c1 28574064 HTJVLTMAKDBXCL-NSHDSACASA-N 243.310 2.220 0 40 BEAB CCCC(=O)NCC(=O)Nc1cc(C)cc(C)c1 32928449 QQTDUOMRAHVEIA-UHFFFAOYSA-N 248.326 2.158 0 40 BEAB COC(=O)c1noc(C)c1-c1ccccc1 33835248 UOTAEXQJZQHYRU-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB OCc1csc(Nc2ccccc2)n1 34447495 FTRHDSFEFPGMSQ-UHFFFAOYSA-N 206.270 2.379 0 40 BEAB in-vitro CC1CCN(c2ccc(Cl)nn2)CC1 36047725 QAVLTOHWKKYUBS-UHFFFAOYSA-N 211.696 2.366 0 40 BEAB in-vitro CCOC(=O)[C@H](C)Nc1ccccc1OC 36373338 NDYLFKHPWLMBAB-VIFPVBQESA-N 223.272 2.059 0 40 BEAB O=[S@@](O)c1ccccc1C(F)(F)F 36533520 FASZKWCPQAQPOX-UHFFFAOYSA-N 210.176 2.286 0 40 BEAB in-vitro CCn1nnc(-c2cccc(Cl)c2)n1 40473937 LLPARLWBWSMAES-UHFFFAOYSA-N 208.652 2.013 0 40 BEAB Fc1cccc(NCc2cccnc2)n1 40711972 YOSDAUGVAKEANZ-UHFFFAOYSA-N 203.220 2.228 0 40 BEAB C[C@H](S[C@H](C)C(N)=O)c1ccc(F)cc1 45090884 YREWRJBWCBBYPF-JGVFFNPUSA-N 227.304 2.494 0 40 BEAB CCN(CC)CC(=O)NC1CCCCCC1 46438234 VHNMEHJWFPITLB-UHFFFAOYSA-N 226.364 2.167 0 40 BEAB COc1ncccc1NC(=O)c1ccsc1 48333320 NQZUXZBKLYVUIH-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB Cc1noc(CN(Cc2ccco2)C2CC2)n1 58213992 FEPYNVUHOLGTMM-UHFFFAOYSA-N 233.271 2.136 0 40 BEAB Cc1cc(C(=O)N(C)Cc2ccsc2)no1 61084080 MRJOVWUBABDEGB-UHFFFAOYSA-N 236.296 2.317 0 40 BEAB CC(C)Cn1c(C(C)C)ccc(CN)c1=O 62198880 GJKTWONJHHCJLM-UHFFFAOYSA-N 222.332 2.086 0 40 BEAB CN(C)[C@](C)(CN)c1ccccc1Cl 70453416 NGVWOVMILZLGDI-LLVKDONJSA-N 212.724 2.076 0 40 BEAB Nc1ccnn1-c1ccc(C(F)(F)F)cc1 71791998 OVGYWYVTZRWASC-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB Cc1cc(Br)ncc1[C@@H](C)N 72222958 GNZUOBDXTRYTDP-ZCFIWIBFSA-N 215.094 2.172 0 40 BEAB O=C(C1CCCC1)N1CCC[C@@H]1c1cc[nH]n1 72357215 PQAPZBTWCCGQME-GFCCVEGCSA-N 233.315 2.263 0 40 BEAB Cc1nc(N)cc([C@H]2CCN2C2CCCCC2)n1 72387470 FCRFAHAOBQUKQG-CYBMUJFWSA-N 246.358 2.447 0 40 BEAB COC(=O)c1cccc(OC)c1OC(F)F 72806487 DLMFHFRAHYCVOR-UHFFFAOYSA-N 232.182 2.083 0 40 BEAB Cc1cc(C(=O)NC2CCCC2)c(C)n1C 74701797 PAAMZOCUCQWQEI-UHFFFAOYSA-N 220.316 2.314 0 40 BEAB Nc1c(Br)cnn1-c1ccccc1 75843764 VIFCFRDZUNAODA-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB COc1ccc(C(=O)NCC(C)(C)C)cc1 75909885 JJVAJEKTHLCGRI-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB COc1cc(Cl)c(/C=C/C(=O)O)c(OC)c1 83316534 HOZNUUPKQWZAOU-ONEGZZNKSA-N 242.658 2.455 0 40 BEAB c1csc(CN[C@@H]2CCCOCC2)c1 83424664 OBGVNKINVJHBPY-SNVBAGLBSA-N 211.330 2.407 0 40 BEAB O=C(c1ccccc1NCCO)C1CCCC1 85278249 HKXOLSYYSIPPLF-UHFFFAOYSA-N 233.311 2.464 0 40 BEAB CCCC[C@@H](CC)COC[C@H](O)CN(C)C 85391992 GZNYCROFCICNNW-CHWSQXEVSA-N 231.380 2.142 0 40 BEAB Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@H]2C1 89536727 PLPWAAHGWYBNPK-PHIMTYICSA-N 218.300 2.195 0 40 BEAB C[C@H]1CCCC[C@H]1OCC(=O)N1CCCC1 89927773 MKYQDKMNUFRQNX-NWDGAFQWSA-N 225.332 2.204 0 40 BEAB Cc1cc(N(C)CCC(F)(F)F)nc(C)n1 91458527 UVUGLALTPJHGMX-UHFFFAOYSA-N 233.237 2.482 0 40 BEAB CCOC(=O)c1cc2ccc(O)cc2o1 95626837 POMCYSYSYAUYBI-UHFFFAOYSA-N 206.197 2.315 0 40 BEAB c1cc(-c2ccc3c(C4CNC4)ncn3c2)co1 96260733 RMUFOJJYMOGXSB-UHFFFAOYSA-N 239.278 2.281 0 40 BEAB FC(F)(F)C(F)(F)Cn1cccn1 96509141 ZPNYEVBGXMCFFI-UHFFFAOYSA-N 200.110 2.081 0 40 BEAB N=C(CC(=O)Nc1ccccn1)c1ccccc1 100136820 UFVYCZSSUPZFOQ-UHFFFAOYSA-N 239.278 2.478 0 40 BEAB in-vitro C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CCCO1 102867014 LXOVAYKPBLLJIU-HTVCTNPSSA-N 221.344 2.356 0 40 BEAB Cn1cccc1[C@H]1COCCN1CC1CCC1 131943276 GIJBVLCFQGYDTJ-CQSZACIVSA-N 234.343 2.199 0 40 BEAB CN(C)[C@H]1[C@H]2CC[C@@](C)([C@@H]1N(C)C)C2(C)C 138907091 WWHMPEUSLLXFGZ-CZXHOFHRSA-N 224.392 2.303 0 40 BEAB C[C@H]1CCCN(Cc2cccc(OCCN)c2)C1 218746759 HTLNIOLIFFDYEG-ZDUSSCGKSA-N 248.370 2.256 0 40 BEAB CCCCN1N[C@@](C)(c2ccccc2)NC1=S 225346048 JXGOIEPGFLDMBC-ZDUSSCGKSA-N 249.383 2.354 0 40 BEAB BrC1=CNC(=C2N=NN=N2)C=C1 514250912 YRMYZJWNSBXWKR-UHFFFAOYSA-N 226.037 2.384 0 40 BEAB CC(C)(C)OC(=O)[C@H]1[C@H]2CC[C@@H]1C[C@@H](N)C2 1857522576 ZCLHRPOKTQSBAR-BIBSGERRSA-N 225.332 2.092 0 40 BEAB O[C@H]1[C@H]2CC[C@@H]1CC[C@@H]2N1CCCCC1 184052 OTFFUZVPVSDGHV-MROQNXINSA-N 209.333 2.022 0 40 BEAB CC(C)CC(=O)Nc1ccccc1C(=O)O 354825 DTQUMXBRQRHDIL-UHFFFAOYSA-N 221.256 2.369 0 40 BEAB in-vitro CC(=O)Nc1nc(C)c(Cl)c(Cl)n1 1395886 CWRXFKHDPUSPBU-UHFFFAOYSA-N 220.059 2.050 0 40 BEAB COc1ccc(C(=O)c2ccncc2)cc1 2019134 FGEUIMWNIGSQPB-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB O=C(Nc1ccc(F)cc1F)C(F)(F)F 3093872 KFBSEUVNGYXFLB-UHFFFAOYSA-N 225.116 2.466 0 40 BEAB C[C@H]1c2ccccc2C(=O)C[C@@H]1C(=O)O 4416888 WRZNZBDUIVUZNV-XVKPBYJWSA-N 204.225 2.077 0 40 BEAB CCCCN(CCC(=O)O)C(=O)OC(C)(C)C 5066755 XNUYSRFOECWJPP-UHFFFAOYSA-N 245.319 2.498 0 40 BEAB CC[C@]1(c2ccccc2)C[C@H](C)C(=O)NC1=O 5468360 ZXNKZQSZQMLQKI-IINYFYTJSA-N 231.295 2.017 0 40 BEAB CC(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732798 UOJIKZXAOJCELO-ZETCQYMHSA-N 239.296 2.210 0 40 BEAB Cc1ccc2c(c1)c(C[C@@H](C)N)cn2C 8993262 KRBSZMGDJRTLBI-SNVBAGLBSA-N 202.301 2.376 0 40 BEAB Cc1nnc2sc(-c3ccccc3)nn12 9205212 XOASACXAWVDARK-UHFFFAOYSA-N 216.269 2.161 0 40 BEAB Fc1cccc(C2=NN=C(NC3CC3)SC2)c1 9376038 XXLQVWWLKIYDSJ-UHFFFAOYSA-N 249.314 2.385 0 40 BEAB O=C(COc1ccccc1)NCc1ccsc1 13698073 YJKKONGIJDSOIR-UHFFFAOYSA-N 247.319 2.443 0 40 BEAB CC(C)(C)C(=O)NCc1ccc(C(=O)O)cc1 19407780 BFCDDEYQCCNMGV-UHFFFAOYSA-N 235.283 2.047 0 40 BEAB in-vitro c1ccc(CNCc2nnc3ccccn23)cc1 20185595 VBIKFSVIRIMWFD-UHFFFAOYSA-N 238.294 2.019 0 40 BEAB CCCCn1cc(Br)c(C(=O)O)n1 20313809 XIZGYMHKXNHUGM-UHFFFAOYSA-N 247.092 2.144 0 40 BEAB CCOC(=O)CC(=O)c1cc(C)ccc1C 20475439 DDNYELMYXQEMEK-UHFFFAOYSA-N 220.268 2.439 0 40 BEAB CC(=O)c1c[nH]c2ccc(C(=O)O)cc12 21994808 MEYLFQCWVDJSQU-UHFFFAOYSA-N 203.197 2.069 0 40 BEAB COC(=O)[C@H](C(C)C)N1CCCCCC1 22123398 XDQPQKPDOHHYTL-NSHDSACASA-N 213.321 2.060 0 40 BEAB CC(C)CC(=O)NCCc1cn2ccccc2n1 23319349 KSNOLLNVLTVFTM-UHFFFAOYSA-N 245.326 2.039 0 40 BEAB Brc1ccc([C@@]23CNC[C@@H]2C3)cc1 27549648 KHJRUTSPEDPIBP-GXSJLCMTSA-N 238.128 2.310 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(F)c(F)c1 28210405 WUDPMGQCGXBDGP-SSDOTTSWSA-N 213.227 2.493 0 40 BEAB CCCc1cc(C(=O)N2CCC[C@@H](C)C2)[nH]n1 29510526 DKEPYVGACXRFFG-SNVBAGLBSA-N 235.331 2.234 0 40 BEAB Cc1csc(CNC(=O)C(C)(C)C)n1 29885903 FNBQAJHEGQAPCG-UHFFFAOYSA-N 212.318 2.114 0 40 BEAB CCCCNC(=O)c1cc(-c2ccco2)[nH]n1 30513517 PZDWANSOFDATBY-UHFFFAOYSA-N 233.271 2.200 0 40 BEAB COc1ccccc1CNC(=O)N1CCCC1 30981381 MWTXICRRCGFENN-UHFFFAOYSA-N 234.299 2.001 0 40 BEAB CC[C@H](C)C(=O)N1CCN(C2CCCC2)CC1 32787998 VSMCKMFNMYCSEL-LBPRGKRZSA-N 238.375 2.119 0 40 BEAB COc1ccc(O)c(C(=O)N2CCCC[C@H]2C)c1 32903742 OEDYGYSGFARSJF-SNVBAGLBSA-N 249.310 2.415 0 40 BEAB Cc1c(Cl)cccc1N1CC[C@@H](N)C1 33427018 AXZGZJZEGHACPZ-SECBINFHSA-N 210.708 2.186 0 40 BEAB CSc1ccc([C@@H](C)NCCN)cc1 37712611 XSKGXAONORKXAR-SECBINFHSA-N 210.346 2.018 0 40 BEAB CC[C@@H](C)[C@@H](Nc1nc(C)cc(C)n1)C(=O)O 38548938 GZWOAOZIERMSMZ-GMSGAONNSA-N 237.303 2.005 0 40 BEAB C[C@H](Sc1nnnn1C)c1ccc(F)cc1 40456836 RUZIYBWGYVAJQX-ZETCQYMHSA-N 238.291 2.203 0 40 BEAB CSCC(=O)N[C@H](C)c1ccccc1 46465097 MDWKZQNRLVPHFE-SECBINFHSA-N 209.314 2.227 0 40 BEAB C=CC(=O)N[C@@H]1CCCc2sccc21 61363979 PWYKHMNRRYCNBT-SECBINFHSA-N 207.298 2.428 0 40 BEAB COc1ccccc1[C@H](O)c1ccoc1 68890745 YTRTYOLYYSJETL-GFCCVEGCSA-N 204.225 2.370 0 40 BEAB O=C1OCCN1CCOc1ccccc1Cl 69440651 BHJCOLHQXUYHIT-UHFFFAOYSA-N 241.674 2.171 0 40 BEAB CONC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 71915875 RWRLPWVOSOCGRT-CHWSQXEVSA-N 248.326 2.258 0 40 BEAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C=O 72218772 AKRWLFVNDNQUMP-ZDUSSCGKSA-N 247.342 2.139 0 40 BEAB CC(C)CC(=O)N1CCC(c2ccn[nH]2)CC1 82277320 CKIRWLAJOCGWME-UHFFFAOYSA-N 235.331 2.162 0 40 BEAB CC(C)(C)c1nnc(N2CCCC2)s1 89761554 KFSDHKMBRMESBQ-UHFFFAOYSA-N 211.334 2.436 0 40 BEAB O=C1CCc2cc(Br)cc(F)c2N1 91692735 GTFNRAZIYBSYOI-UHFFFAOYSA-N 244.063 2.473 0 40 BEAB CN(C)C(=O)c1ccc(OC(=O)C2CCC2)cc1 95949159 NYXICXOWTPTZQJ-UHFFFAOYSA-N 247.294 2.094 0 40 BEAB Cc1ccc(CN2CCC3(CC2)COC3)o1 96051213 YQAIFPNHZAPNPM-UHFFFAOYSA-N 221.300 2.200 0 40 BEAB CS[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 96119993 UBBAVMXIVOGSHT-LLVKDONJSA-N 239.315 2.403 0 40 BEAB CO[C@H]1CCCC[C@@H]1N[C@@H]1CCSC1 96478621 UDXPMZQHAYZHAC-VWYCJHECSA-N 215.362 2.039 0 40 BEAB CC1([C@H]2CCCN(C3CCCC3)C2)OCCO1 97106886 SSTJEBZBNGRORX-LBPRGKRZSA-N 239.359 2.404 0 40 BEAB NN[C@H](c1ccc(F)cc1)c1cccs1 161796387 BJABLALTDMCCLX-LLVKDONJSA-N 222.288 2.440 0 40 BEAB CCCN1C(=O)CCc2cc(O)ccc21 218780480 GQPQFMUHITYGOT-UHFFFAOYSA-N 205.257 2.081 0 40 BEAB N[C@H]1CCC[C@H]1Nc1ccc(F)cc1F 218884008 KSZVCASZTHSWLG-GXSJLCMTSA-N 212.243 2.257 0 40 BEAB CCOc1ccccc1C1(C(=O)OC)CC1 258665712 XSDSLZGXFSMWCV-UHFFFAOYSA-N 220.268 2.290 0 40 BEAB F[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cn1 306221366 SVYKAMAZQYWQEG-SFYZADRCSA-N 215.659 2.433 0 40 BEAB CCCN1C(=O)N/C(=C/c2cccc(C)c2)C1=O 409244213 ZQBXHZDCRQTZEE-FMIVXFBMSA-N 244.294 2.298 0 40 BEAB COc1c(F)c(F)c([C@@H](C)O)c(F)c1F 1772490902 UYCSRVMHOHFVTN-GSVOUGTGSA-N 224.153 2.305 0 40 BEAB Cc1cccnc1NC(=O)c1ccc(N)cc1 241759 WUQYKHRMHJGLAI-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCCO[C@H]1NC(=O)Oc2ccccc21 1592812 FGDXECWDQRSJOE-SNVBAGLBSA-N 207.229 2.214 0 40 BEAB Cc1cc(-c2ccc(C(=O)O)s2)cnc1N 2458600 RHGPTOUJLXZQEP-UHFFFAOYSA-N 234.280 2.399 0 40 BEAB CN1C(=O)c2cccc3cccc(c23)C1=O 4370300 CZMAEVKITVSOPP-UHFFFAOYSA-N 211.220 2.066 0 40 BEAB Cc1ccccc1NC(=O)CN1CCCC1 5048118 XYAAEDRRMYHYCN-UHFFFAOYSA-N 218.300 2.029 0 40 BEAB Cc1ccc(-c2nnc(SC(C)C)n2N)cc1 11308528 UWJDTMLCIGUPDH-UHFFFAOYSA-N 248.355 2.468 0 40 BEAB O=C(Cc1cccc(F)c1)NC1CCCC1 12932686 RYTUZPGTSRUFCN-UHFFFAOYSA-N 221.275 2.427 0 40 BEAB C/C=C/C=C/C(=O)N1CC(=O)Nc2ccccc21 14093107 SSBKYOMVPWBUBO-DSXPNFDZSA-N 242.278 2.104 0 40 BEAB CC(=O)c1cn(C)c2c(Cl)nccc12 19023202 OSUUGKQGXAHWDX-UHFFFAOYSA-N 208.648 2.429 0 40 BEAB Cc1cc(C)cc(C(=O)NC[C@H]2CCCNC2)c1 19272205 MEPVDXUGOGPXKY-ZDUSSCGKSA-N 246.354 2.033 0 40 BEAB CC(=O)[C@H]1C(=O)[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O 19939873 IOWYFQZIOCASML-MJVIPROJSA-N 234.295 2.096 0 40 BEAB COC(=O)[C@@H](CN)Cc1cccc2ccccc12 20579466 VTFPNHSFUHPJJT-CYBMUJFWSA-N 243.306 2.130 0 40 BEAB in-vitro C/C=C/C=C1/C=Cc2c(C(=O)OC)coc(=O)c21 31298175 RFUJEBHESHKXKW-BEHOXYOFSA-N 244.246 2.413 0 40 BEAB COc1ncccc1C(=O)N1CCCCCCC1 32758991 VHVATZZZNKQPJJ-UHFFFAOYSA-N 248.326 2.497 0 40 BEAB COCCCNC(=O)c1ccc(Cl)cc1F 32768061 RTDVYQNDQRLIOK-UHFFFAOYSA-N 245.681 2.245 0 40 BEAB C[C@H](C1CC1)N(C)C(=O)c1cc(C2CC2)[nH]n1 32786938 JVLPXJACSMQBGV-MRVPVSSYSA-N 233.315 2.158 0 40 BEAB Cc1ccc(Br)c([S@](=O)O)c1 34489233 SIYJMFXZVXBYGF-UHFFFAOYSA-N 235.102 2.338 0 40 BEAB Oc1cccc(CNC[C@H](O)c2ccccc2)c1 35111647 JIKCMGRFMNDBGD-HNNXBMFYSA-N 243.306 2.215 0 40 BEAB CCOC(=O)Cc1nccn1Cc1ccccc1 36379606 BOESBLDUIUDORC-UHFFFAOYSA-N 244.294 2.037 0 40 BEAB NC[C@H](c1ccc2c(c1)CCO2)N1CCCCC1 37363691 LFXDJTRBOMYOPT-CQSZACIVSA-N 246.354 2.107 0 40 BEAB Cc1ccc(CC(=O)Nc2ncc(C)s2)cn1 40554600 BJARRYFQEYCXKG-UHFFFAOYSA-N 247.323 2.336 0 40 BEAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccncc1 48954693 CATAUEYRYBUUSW-GFCCVEGCSA-N 249.314 2.114 0 40 BEAB Cc1cc(C)c(C(=O)NCC2(CO)CC2)c(C)c1 49461767 GHKSUCYXOCYUMR-UHFFFAOYSA-N 247.338 2.114 0 40 BEAB COC[C@@H](C)Nc1cc(F)cc(F)c1 53172318 UUUVVLUBYNPWTI-SSDOTTSWSA-N 201.216 2.412 0 40 BEAB CC(C)(C)NC(=S)Nc1ccccc1O 54925759 CKBHZUFNDJYOOF-UHFFFAOYSA-N 224.329 2.477 0 40 BEAB Cc1cc2[nH]c(CCN)nc2cc1Cl 57340815 GVJGLUGECKBVNK-UHFFFAOYSA-N 209.680 2.026 0 40 BEAB CCOCCCNC(=O)NC1CCCCC1 60487183 PANLNBYMWDPQBQ-UHFFFAOYSA-N 228.336 2.045 0 40 BEAB CC(C)CCN1Cc2ccccc2OCC1=O 67323750 SJAHOHFQIAVXRG-UHFFFAOYSA-N 233.311 2.454 0 40 BEAB CCNC(=O)c1ncoc1-c1ccccc1 69529447 FAPUXCZDYQHNDN-UHFFFAOYSA-N 216.240 2.091 0 40 BEAB O=C(C1CCCC1)N1CCC[C@@H]1Cn1cccn1 69949860 SRBLCSCYSVMUGQ-CYBMUJFWSA-N 247.342 2.064 0 40 BEAB Cc1cnn(CCNCCc2ccccc2)c1 69981399 UFKLGRWFYUYOFV-UHFFFAOYSA-N 229.327 2.024 0 40 BEAB c1ccc(-c2nnc3cnccc3n2)cc1 71255697 SNFNIEYESOSLTA-UHFFFAOYSA-N 208.224 2.087 0 40 BEAB CC/C=C/COC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 71859290 XIZCHDVRYIZLJD-RUULKOMLSA-N 234.299 2.033 0 40 BEAB CN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207680 PRWFSZXEPFDTEG-QWRGUYRKSA-N 242.363 2.241 0 40 BEAB Cc1cc(N)ncc1[C@@H]1CCCCN1C 72218514 LIDDDKNOHGGGSW-NSHDSACASA-N 205.305 2.129 0 40 BEAB Cc1csc(C(C)(C)NC[C@@H]2CCOC2)n1 78950091 PUKDCKIEEYVADQ-JTQLQIEISA-N 240.372 2.313 0 40 BEAB CSc1nnc(-c2cccnc2)n1C1CC1 79133712 QQZIEEAFKUUCQS-UHFFFAOYSA-N 232.312 2.397 0 40 BEAB CC(C)(C)[C@@H](O)[C@H](C(=O)O)c1ccccc1 82290401 YDLFOECLRCJUCM-MNOVXSKESA-N 222.284 2.262 0 40 BEAB Cc1cc(C)c2ccc(OCC(=O)O)cc2n1 82787051 FKHVGOCXNBYSCF-UHFFFAOYSA-N 231.251 2.315 0 40 BEAB COc1ccc2c(c1OC)CCCN[C@@H]2C 84419411 LRVDXMSDAKEGLI-SECBINFHSA-N 221.300 2.301 0 40 BEAB C1C[C@H](Nc2nc(C3CC3)no2)[C@@H]2CCO[C@@H]2C1 89598045 XZBKCWOLPLCESY-GARJFASQSA-N 249.314 2.317 0 40 BEAB CC(C)[C@@H]1CN(C(=O)C2CCC2)CCS1 89802097 ZUIFXYDMRLNGOH-NSHDSACASA-N 227.373 2.387 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1cc(C2CCC2)nn1C 89921932 OIAWQAVYYZVPQJ-WPRPVWTQSA-N 233.315 2.282 0 40 BEAB C[C@H]1CC[C@H](CO)CN1Cc1ccsc1 93739026 ZLYXYXYFQMTCAL-QWRGUYRKSA-N 225.357 2.341 0 40 BEAB FC(F)(F)Oc1cccc(C2CNC2)c1 96028875 AFWTUPQNWWYZKV-UHFFFAOYSA-N 217.190 2.272 0 40 BEAB O=C(c1cncc(F)c1)N1C[C@H]2CC=CC[C@H]2C1 96468098 VDYQYECSKBZRTD-PHIMTYICSA-N 246.285 2.259 0 40 BEAB C[C@H](Cc1ccc(Br)cc1)C(N)=O 96487410 VNVHVVCGGLSQIF-SSDOTTSWSA-N 242.116 2.113 0 40 BEAB CC(C)[C@@H]1CN(C)CCN1Cc1ccco1 97059026 UXFNOFBORHSTAT-ZDUSSCGKSA-N 222.332 2.052 0 40 BEAB Oc1cnnc2cc(Br)ccc12 97758953 DUUMGNXHYRVJTC-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB NCC12C[C@H]3C[C@H](C1)CC(CC(=O)O)(C3)C2 100021478 KTRQRZZJQJJSOO-WPMGSTCASA-N 223.316 2.006 0 40 BEAB NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H]3[C@@H]3[C@@H]2[C@H]31 101046533 LSSIKEHYDUXQLY-XVDPWJSNSA-N 225.291 2.252 0 40 BEAB C[C@@H]1C[C@H](NC(=O)OCc2ccccc2)CCN1 107259312 KLFYFYJXRLTUNU-DGCLKSJQSA-N 248.326 2.053 0 40 BEAB N#Cc1cc([N+](=O)[O-])cc(Br)c1F 114333696 BWPPPVZYKMSWJW-UHFFFAOYSA-N 245.007 2.368 0 40 BEAB Cc1ccc2c(c1)[C@H]1CCC[C@H]3NCCN2[C@H]31 169619886 GMKHTMHRPNKUFI-KYOSRNDESA-N 228.339 2.423 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@H]2[C@@H](C)O)c1 216294892 ZEKOAWYKSMNJMM-DVVUODLYSA-N 222.284 2.188 0 40 BEAB Cc1ccc(-n2ncc(C(=O)O)c2F)cc1 218309206 QSXKNRQGOAPCQI-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB CCN(CCCN1CCCC1)c1nccc(C)n1 225561088 QWMHFZZHKQXEGV-UHFFFAOYSA-N 248.374 2.097 0 40 BEAB CC(C)CC1=NN[C@H]2CC(C)(C)CC(=O)[C@H]12 228923583 RGPRDWNRZKFZSV-CMPLNLGQSA-N 222.332 2.366 0 40 BEAB CC(C)N1CCC[C@@H]1c1n[nH]c2c1[C@H](N)CCC2 242463764 DJVXIHARCMXVJD-ZYHUDNBSSA-N 248.374 2.291 0 40 BEAB CCOc1nc(C)ccc1-c1noc(CC)n1 387923 OFAWZDSIKHTRLS-UHFFFAOYSA-N 233.271 2.401 0 40 BEAB CC(=O)c1sc(NC(=O)C2CC2)nc1C 483930 QGMXLWSQODHTFL-UHFFFAOYSA-N 224.285 2.003 0 40 BEAB C[C@@H]1CCCC[C@@]12NC(=S)N(C(C)(C)C)N2 550094 QZZOYHXPHZOAIV-SKDRFNHKSA-N 241.404 2.386 0 40 BEAB Cc1ccc(OCC(=O)N2CCCCC2)cc1 580925 RSMNXTHGLHYVJU-UHFFFAOYSA-N 233.311 2.386 0 40 BEAB CN1CCC(CNc2ccccc2)CC1 1585571 YWUZBFKHZPCISY-UHFFFAOYSA-N 204.317 2.440 0 40 BEAB Cc1ccc(S(=O)(=O)c2ccccc2N)cc1 1641092 XOPAGLKXJILVRD-UHFFFAOYSA-N 247.319 2.410 0 40 BEAB CC(C)C(=O)NCCCCN1CCCCC1 1641604 ORIIKAWMIQSXNL-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB CCC(=O)OCCCC[C@H]1COC(C)(C)O1 1672072 IXCORYWEMAUKRJ-JTQLQIEISA-N 230.304 2.261 0 40 BEAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCC[C@@H]1C 2782035 RQRCWQHWRXZXDQ-JOYOIKCWSA-N 249.358 2.345 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@@](C)(O)[C@@H]1C 5515715 JLIHNYSKRZSBJF-RNCFNFMXSA-N 231.299 2.048 0 40 BEAB Cc1ccc(NC(=O)C2=COCCO2)c(C)c1 5558646 NENFUPQALDQUMO-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 5672592 QMACGMRTSBRYQY-SNVBAGLBSA-N 247.294 2.287 0 40 BEAB C[C@H](Nc1ccccc1Br)C(=O)O 8702704 IDBDILPTHYVUJC-LURJTMIESA-N 244.088 2.334 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(OC)cc1N 8703568 DRVSHSGIAPRYAD-MRVPVSSYSA-N 222.288 2.262 0 40 BEAB Cc1cc(C)cc(-n2nc(C(=O)O)cc2C)c1 11802000 JIPYFKORUPMWKV-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB in-vitro O=Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O 11956174 UCNGNRVIANBDDC-UHFFFAOYSA-N 241.168 2.359 0 40 BEAB Nc1ccc(N2CCc3sccc3C2)nc1 12778440 VEJCYGREDNZFMG-UHFFFAOYSA-N 231.324 2.288 0 40 BEAB in-vitro C[C@@H]1CN(C(=O)Nc2ccccc2F)CCO1 12851164 UHLIDIIRCUWQLW-SECBINFHSA-N 238.262 2.078 0 40 BEAB COc1ccc([C@H](O)c2ccc(N)cc2)cc1 19780080 JHZVAEWIMYRJRO-CQSZACIVSA-N 229.279 2.359 0 40 BEAB COc1ccc([C@H](O)C(F)(F)F)c(OC)c1 24863400 MQQBSAKZXFAZMU-VIFPVBQESA-N 236.189 2.300 0 40 BEAB Cc1cc(NC(=O)CCc2ccccc2)n(C)n1 27934041 PGYDUCKICWGSDT-UHFFFAOYSA-N 243.310 2.300 0 40 BEAB Cn1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cn1 32819932 WKULTAVBWOBWGL-YPMHNXCESA-N 247.342 2.215 0 40 BEAB CC[C@H]1CCCCN1C(=O)n1ccnc1 32891603 BONOPNSJDHXUKY-JTQLQIEISA-N 207.277 2.116 0 40 BEAB O=C(O)c1cc2occc2n1CC1CC1 33572684 RSKQGJASTIHGMU-UHFFFAOYSA-N 205.213 2.343 0 40 BEAB CCC[C@H](N)C(=O)N(C)C1CCCCCC1 36873462 QHNJRISKEUOURJ-LBPRGKRZSA-N 226.364 2.295 0 40 BEAB C[C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 40513675 OIHBMEBIGWWMPH-LLVKDONJSA-N 247.342 2.020 0 40 BEAB CCCCCNC(=O)Nc1nnc(C)s1 40526548 YFUXRSWVWVOFSH-UHFFFAOYSA-N 228.321 2.158 0 40 BEAB CC(C)CNC(=O)NCc1cccs1 48396686 JWZCOCCUUQWXFK-UHFFFAOYSA-N 212.318 2.203 0 40 BEAB CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 48803301 FAKUXPQIHHCBCO-GHMZBOCLSA-N 248.326 2.259 0 40 BEAB NCCn1cc(-c2cccc(Cl)c2)cn1 49818728 LXWSBSRZBIWPPQ-UHFFFAOYSA-N 221.691 2.162 0 40 BEAB c1ccc2sc(O[C@@H]3CCNC3)nc2c1 51868416 PHFCNQRCHFEDLO-MRVPVSSYSA-N 220.297 2.037 0 40 BEAB CCN1C(=O)C(C)(C)c2cc(NC(C)=O)ccc21 57280420 XQLFGTCGUBPEQU-UHFFFAOYSA-N 246.310 2.289 0 40 BEAB CS(=O)(=O)Cc1ccc(F)cc1Cl 58594924 NLVCGDZGBIZNJO-UHFFFAOYSA-N 222.668 2.024 0 40 BEAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)NC1CC1 72302923 LAARUEAVPOZANF-NXEZZACHSA-N 210.321 2.225 0 40 BEAB CNCC[C@H](NC(=O)OC(C)(C)C)C(C)C 72311434 FQPICDIBZAXAKU-JTQLQIEISA-N 230.352 2.145 0 40 BEAB in-vitro O=C1COc2ccc(C(F)(F)F)cc21 75882288 DFSCMRNXVRDAPI-UHFFFAOYSA-N 202.131 2.281 0 40 BEAB COc1ccc([C@@H]2CNCCN2C(C)C)cc1 77369923 DKBLZPOXUPBSLH-AWEZNQCLSA-N 234.343 2.050 0 40 BEAB CCN[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79437044 CUGSDCDTNAJKSD-MNOVXSKESA-N 242.363 2.432 0 40 BEAB CC(C)(C)C(=O)NCC[C@H](O)c1ccccc1 81253778 TVMDFXCXAWYJTH-LBPRGKRZSA-N 235.327 2.272 0 40 BEAB CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C)cs1 83830278 JLJMQNQZSFLJFT-WPRPVWTQSA-N 238.356 2.020 0 40 BEAB CSc1nsc(NC(=O)CCC2CC2)n1 84630207 QKOXMSYNXKUVRP-UHFFFAOYSA-N 243.357 2.389 0 40 BEAB Cc1cccc(C(=O)NC[C@@H](O)CC(C)C)c1C 89686369 GVRCJPCAEIKHGM-ZDUSSCGKSA-N 249.354 2.440 0 40 BEAB CC(C)(C)c1nc([C@H](N)c2ccccc2)n[nH]1 95533458 GKJPWHHNBMDOLA-SNVBAGLBSA-N 230.315 2.150 0 40 BEAB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C 95959983 PDPKVLUVLMHLGQ-VWYCJHECSA-N 213.321 2.058 0 40 BEAB Fc1ccccc1CN1CCC2(CC1)COC2 96051228 JGRDAZDLGPQUDK-UHFFFAOYSA-N 235.302 2.438 0 40 BEAB CN(C(=O)[C@@H](N)c1ccccc1)C1CCCCC1 96301046 DETAUKPVRFXKJM-AWEZNQCLSA-N 246.354 2.478 0 40 BEAB in-vitro CO[C@@H](C)c1nc(N)cc(C2CCCC2)n1 96529222 BCNBHDUHOCCQEJ-QMMMGPOBSA-N 221.304 2.424 0 40 BEAB COC[C@H](C)OC(=O)c1ccc(C(C)=O)cc1 97084226 GXQNAOPEQZTAKW-VIFPVBQESA-N 236.267 2.081 0 40 BEAB O=C(NCc1cccc(F)c1)Nc1ncco1 97377949 MPIWDESTSYRJHX-UHFFFAOYSA-N 235.218 2.135 0 40 BEAB COc1ccccc1C(=O)CC(=O)C(F)F 100497215 KUNNJPSFUORRCC-UHFFFAOYSA-N 228.194 2.102 0 40 BEAB CC[C@H]1N[C@@H]1CCOCc1ccccc1 169804291 XYJHFZOMTQYRAI-CHWSQXEVSA-N 205.301 2.344 0 40 BEAB C/C(=C\c1ccccc1)CN(C)Cc1nnc[nH]1 179795020 SWOZNTUCRURKQF-XYOKQWHBSA-N 242.326 2.340 0 40 BEAB C[C@@H]1CCCCN1Cc1cccc(OCCN)c1 218746574 GPRYBQHUVNBICF-CYBMUJFWSA-N 248.370 2.399 0 40 BEAB COc1ccc(CN[C@@H]2CCCC[C@H]2N)cc1 218855324 KQAPSBRQIROFNT-ZIAGYGMSSA-N 234.343 2.055 0 40 BEAB CN1[C@H]2CC[C@H]1[C@H](Cc1ccccc1)[C@H](N)C2 252515178 HTVQMHPPOYWTJI-YJNKXOJESA-N 230.355 2.039 0 40 BEAB Cc1cn[nH]c1[C@H]1CCN(Cc2cscn2)C1 257247564 IZNGAFXVDWAWEQ-JTQLQIEISA-N 248.355 2.164 0 40 BEAB CC(=O)N1CC[C@](F)(c2ccccc2F)C1 334242091 WZTXCXJSRWAZBI-GFCCVEGCSA-N 225.238 2.243 0 40 BEAB C[C@H](Oc1nc2cccnc2n1C)C(F)(F)F 585654840 NBVHTZAVKGBDBG-LURJTMIESA-N 245.204 2.298 0 40 BEAB Nc1ncc(-c2cc(F)c(F)c(F)c2)o1 1535868266 LRDIQWJXWQHJII-UHFFFAOYSA-N 214.146 2.341 0 40 BEAB COc1cccc(C(=O)Nc2ccccn2)c1 264118 DDKCQZOPRAHVGK-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCO1 1054233 UXYQSLYRJLGZGN-GXFFZTMASA-N 231.295 2.143 0 40 BEAB CC[C@H]1C(OC)=C[C@@]2(CC)C[C@]1(OC)OC2=O 1585701 WYERYMLJHAVTKA-XDTLVQLUSA-N 240.299 2.243 0 40 BEAB OCCCC[C@@H]1CO[C@@H](Cc2ccccc2)O1 1677469 HBJMOXNNASYHFM-ZIAGYGMSSA-N 236.311 2.133 0 40 BEAB C[C@H]1CCO[C@]2(CC(C)(C)OC2(C)C)O1 1677948 PJFSVWVGDLAMIZ-JOYOIKCWSA-N 214.305 2.486 0 40 BEAB COc1ccc2[nH]cc(CCCN)c2c1 2018065 YPFQQRNDLFHEBT-UHFFFAOYSA-N 204.273 2.068 0 40 BEAB Cc1ccc(-n2nnnc2SC(F)F)cc1 3331366 PIAVSWZSKMCSDF-UHFFFAOYSA-N 242.254 2.285 0 40 BEAB COC(=O)CC(C)(C)NOCc1ccccc1 5380156 FSSISSMIERSTSM-UHFFFAOYSA-N 237.299 2.050 0 40 BEAB Cc1cc(CSc2nnc3ccccn23)on1 9256560 OHGHXAMWUPRSET-UHFFFAOYSA-N 246.295 2.318 0 40 BEAB in-vitro OCCCCn1c(-c2ccccc2)n[nH]c1=S 10312533 CTEQVZVHHMLZKR-UHFFFAOYSA-N 249.339 2.380 0 40 BEAB CC[C@H](C)NC[C@H](O)COc1ccc(C)cc1 10384152 CFICZWAOJCDSHZ-STQMWFEESA-N 237.343 2.123 0 40 BEAB Cc1ncc(CO)n1Cc1ccc(Cl)cc1 13283668 KNXPHJIMMBCCNJ-UHFFFAOYSA-N 236.702 2.386 0 40 BEAB CC(C)S(=O)(=O)NC[C@H](C)c1ccccc1 13473525 HIYDOWJVBIJBQF-NSHDSACASA-N 241.356 2.118 0 40 BEAB Cc1oc2ncn(Cc3ccco3)c(=N)c2c1C 13655706 MTMPEEQPDATTQU-UHFFFAOYSA-N 243.266 2.367 0 40 BEAB CC(=O)c1ccccc1OCC(=O)NCC(C)C 19480424 MXQLJAQDPRFMFN-UHFFFAOYSA-N 249.310 2.040 0 40 BEAB Cn1ccnc1Sc1ccc(F)cc1N 19869331 IYJFRYUKZZBWAC-UHFFFAOYSA-N 223.276 2.293 0 40 BEAB in-vitro O=Cc1cccc(OCC2CCOCC2)c1 20357632 BUKSSOFBDFSRKX-UHFFFAOYSA-N 220.268 2.305 0 40 BEAB O=C(NCc1ccccc1F)C1CCC1 21269897 NAXGNNUSQVBYOF-UHFFFAOYSA-N 207.248 2.242 0 40 BEAB Cc1cc(C)nc(C(=O)c2ccccc2)n1 34493938 BHKMWTUEXICEFG-UHFFFAOYSA-N 212.252 2.324 0 40 BEAB CCOC(=O)CCN1[C@H](C)CCC[C@H]1C 36671337 AHWZPSGTCFEGAT-GHMZBOCLSA-N 213.321 2.203 0 40 BEAB CNC1CCN(C(=O)c2ccc(C)c(C)c2)CC1 37536440 MEZPICIILBBKAE-UHFFFAOYSA-N 246.354 2.127 0 40 BEAB Cc1cccc([C@H](CN)N2CCCC2)c1 38808842 BBSLVZVOUQMTNI-ZDUSSCGKSA-N 204.317 2.091 0 40 BEAB COc1ccc(CC(C)(C)C(=O)O)cc1 41217195 NYDAEBWSGUNHIF-UHFFFAOYSA-N 208.257 2.349 0 40 BEAB CCN(CC)C(=O)[C@H](C)Oc1ccc(F)cc1 42629861 OTFKYDNDTGFBBU-JTQLQIEISA-N 239.290 2.461 0 40 BEAB c1ccc2[nH]c(SC[C@@H]3CCCN3)nc2c1 43497142 ABFNBYRMMGELQD-VIFPVBQESA-N 233.340 2.407 0 40 BEAB CCONC(=O)[C@H]1CCCO[C@H]1c1ccccc1 49346468 RZWARJJZDJLAAD-STQMWFEESA-N 249.310 2.222 0 40 BEAB COC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N 57352361 MGDXJKQIBFJHQI-UHFFFAOYSA-N 234.230 2.190 0 40 BEAB CCCSCC(=O)Nc1c(C)n[nH]c1C 63837688 TXTJSVVQKPQRDA-UHFFFAOYSA-N 227.333 2.108 0 40 BEAB CC(C)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 69703254 YJAAJKNMOMKPTN-LBPRGKRZSA-N 241.356 2.275 0 40 BEAB CCO[C@H]1C[C@H](NC(=O)c2ccco2)C1(C)C 71915435 QYDBPKWSDRVGTN-QWRGUYRKSA-N 237.299 2.213 0 40 BEAB CNc1ccc([C@H]2CCCN2C(C)=O)c(C)n1 72219094 ZYKKKGBUMIXPTK-GFCCVEGCSA-N 233.315 2.115 0 40 BEAB CCN(CC)c1cc(C)c([C@H](C)O)cn1 72223261 CSMATZUVUOZRCG-JTQLQIEISA-N 208.305 2.290 0 40 BEAB CC(C)CC(=O)N1CCC(c2ccncn2)CC1 72350768 PSNSCUUYHSOZHH-UHFFFAOYSA-N 247.342 2.229 0 40 BEAB OC[C@H]1CCCN1c1cc(C(F)(F)F)ccn1 78612569 VNOKQVAPGXBPRA-SECBINFHSA-N 246.232 2.062 0 40 BEAB Nc1cc(Cl)ccc1C(=O)[C@H]1CCOC1 83053401 UEMASCOGUDXJOE-ZETCQYMHSA-N 225.675 2.141 0 40 BEAB in-vitro CNCC(=O)N1CCC[C@H]1c1cccc(C)c1C 83932537 XCEVPYUSHUKHMN-AWEZNQCLSA-N 246.354 2.186 0 40 BEAB Cc1ccc(N(C)Cc2nncn2C)c(C)c1 89613907 VNONTPTXZZYTJH-UHFFFAOYSA-N 230.315 2.068 0 40 BEAB Oc1cc(F)cc(I)c1 90395213 OGZQPUORKLLIGI-UHFFFAOYSA-N 237.999 2.136 0 40 BEAB CCc1ccc(CN(C)C(C)(C)CO)o1 92507979 MRMVYRKGRAYYFM-UHFFFAOYSA-N 211.305 2.045 0 40 BEAB OCc1ccc(CN2CCC3(CCC3)C2)o1 93455915 QALWDLBDEGYYIA-UHFFFAOYSA-N 221.300 2.148 0 40 BEAB Cc1cnc(CN[C@H](C)c2nccn2C)s1 95985048 NRQVHQPBJCNHLB-SECBINFHSA-N 236.344 2.036 0 40 BEAB O=C(/C=C/c1ccoc1)NCCc1ccoc1 96120585 LSWZUGSXFNBJGF-OWOJBTEDSA-N 231.251 2.245 0 40 BEAB CN(C)c1cccc([C@](C)(O)C2CC2)c1 96543392 CQANLTVDQDAHOW-CYBMUJFWSA-N 205.301 2.370 0 40 BEAB CN1C(=O)C[C@@H]2C[C@]1(C)Oc1ccccc12 100498797 LFJWBPVQUSINGS-RNCFNFMXSA-N 217.268 2.131 0 40 BEAB COc1ccc(C(=O)O)c(F)c1Cl 108377396 UTRWXNQYHZSGPW-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB Cc1cc(C)c(NC(=O)N/C=C/C(=O)O)c(C)c1 222699078 AFSHBYOFUJYQNR-SNAWJCMRSA-N 248.282 2.332 0 40 BEAB COc1cccc(N2CCN[C@H]3CCC[C@@H]32)c1 225716561 WXARDROQBJKFJM-KBPBESRZSA-N 232.327 2.026 0 40 BEAB C[C@@H]1Nc2ccccc2[C@@H](C)[C@@H]1C(=O)O 225816771 QVQNTCOQTCPKLU-FYBVGQRMSA-N 205.257 2.305 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H]([C@H](CN)CO)C2 242581719 OCNAGPQNZVNTGV-BLFANLJRSA-N 211.349 2.016 0 40 BEAB COC(=O)c1cccc(C(=O)C(F)(F)Cl)c1 390130324 JNSMFAODLHSCAO-UHFFFAOYSA-N 248.612 2.488 0 40 BEAB C[C@@H]1C[C@H](O)CC(C)(C)[C@@H]1C/C=C/C(=O)O 2332243370 MVHJGXZXOMOQBQ-AHSGZEFJSA-N 226.316 2.451 0 40 BEAB CCCN1CCC(=O)Nc2ccccc21 268922 CUQSCNQXXQBYIW-UHFFFAOYSA-N 204.273 2.245 0 40 BEAB COc1cccc(C(=O)NCC(C)C)c1OC 496523 CLXDLCBUXVUXHR-UHFFFAOYSA-N 237.299 2.090 0 40 BEAB CCCCCCC(=O)O[C@@H](C)C(=O)OC 2041997 AMUQUFKUEZMRHI-VIFPVBQESA-N 216.277 2.062 0 40 BEAB CCCCC(=O)CCCC(=O)OCC 2379048 PVFPEHUCRNRCCE-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB COc1ncnc2c1[nH]c1ccc(C)cc12 2479500 PNKQLEBEOMAUBB-UHFFFAOYSA-N 213.240 2.428 0 40 BEAB biogenic CCn1nccc1C(=O)N1[C@H](C)CCC[C@H]1C 2781657 ZMPPDKFIWULAEH-GHMZBOCLSA-N 235.331 2.306 0 40 BEAB Cc1cnc2c(c1)CCC[C@H]2C(N)=S 5892294 AIMIAJHGOMWBQG-SECBINFHSA-N 206.314 2.096 0 40 BEAB in-man Cc1ccnc(NC(=S)NCc2ccco2)c1 7143232 TXGRHZHYEKVCCE-UHFFFAOYSA-N 247.323 2.470 0 40 BEAB O=Cc1cccc(OCCCN2CCCC2)c1 9261529 TYDFLHLFIHINQG-UHFFFAOYSA-N 233.311 2.364 0 40 BEAB Nc1nonc1-c1ccc(Br)cc1 11916182 QWSVUZLCBMDUQJ-UHFFFAOYSA-N 240.060 2.081 0 40 BEAB CCOC(=O)c1c(C)[nH]c(OC(=O)CC)c1C 12358961 TUAVIVZQPBRFOH-UHFFFAOYSA-N 239.271 2.124 0 40 BEAB CCc1ccc2c(c1)/C(=C/C(=O)O)CO2 16742494 YKIPKMVHBDZRLG-RMKNXTFCSA-N 204.225 2.109 0 40 BEAB O=C(NC12CC3CC(CC(C3)C1)C2)n1cccn1 16973034 BEJVVVQZWAOKTQ-UHFFFAOYSA-N 245.326 2.410 0 40 BEAB CN(CC[C@@H]1CCCCN1)C(=O)OC(C)(C)C 19843834 SIXXXTZPDOPMFL-NSHDSACASA-N 242.363 2.386 0 40 BEAB COc1cc(CO)ccc1OCC(F)(F)F 20032073 PFCPPKGLVLIBBF-UHFFFAOYSA-N 236.189 2.129 0 40 BEAB C1CCCN(C[C@H]2CCCCN2)CCC1 20266057 NOLHLBOSSOJEMB-CYBMUJFWSA-N 210.365 2.395 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)no2)s1 20444813 SUPRMLNXLANGOX-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)O 22124002 OGQRROFKPVETFE-UHFFFAOYSA-N 232.214 2.289 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N)cc2)C1 22211991 AYRDHDUDIMCTDJ-QWRGUYRKSA-N 232.327 2.387 0 40 BEAB O=C(Cc1ccsc1)NCCc1ccccn1 25322985 TXNVUEHDLTXUAE-UHFFFAOYSA-N 246.335 2.045 0 40 BEAB Cc1nc2c(s1)[C@@H](c1ccco1)NCC2 28428651 WRZWOIMKWHLHBB-SNVBAGLBSA-N 220.297 2.280 0 40 BEAB Cc1nn(Cc2ccccc2)cc1C=O 28628430 NXRGCJKNIMOLTC-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB CCOC(=O)c1c(C)[nH]c(C)c1/C=C/[N+](=O)[O-] 32918952 IOUMUIKIKQQNMI-AATRIKPKSA-N 238.243 2.056 0 40 BEAB CCCNC(=O)Cn1ccc2cc(OC)ccc21 32930878 IVPCXNSTYUFREL-UHFFFAOYSA-N 246.310 2.176 0 40 BEAB COC(=O)C[C@H]1CCCN1Cc1ccccc1 34469811 FDDKIOBSNZVSGD-CYBMUJFWSA-N 233.311 2.214 0 40 BEAB CC1=NN=C(C)C1[C@@H](N)c1ccccc1 36624826 HPERHSNHKQWJBY-LBPRGKRZSA-N 201.273 2.153 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)OC(C)(C)C 36734097 OQCBWVXVCKEWLQ-UHFFFAOYSA-N 211.265 2.374 0 40 BEAB in-vitro COc1ccc([C@H](CN)N2CCC[C@H](C)C2)cc1 38827600 JQNIKZXOVAYJTM-WFASDCNBSA-N 248.370 2.427 0 40 BEAB Nc1c(S)cccc1Br 39617152 QAKGZDFJIHWLST-UHFFFAOYSA-N 204.092 2.320 0 40 BEAB Cc1cc(OC2CNC2)ccc1Br 42769591 FLCINJCNBKMRFU-UHFFFAOYSA-N 242.116 2.108 0 40 BEAB Cc1ccc(CCN)c(Br)c1 44397768 OVTUMWAUNPYUMF-UHFFFAOYSA-N 214.106 2.259 0 40 BEAB COCCN(C(=O)c1cccnc1)C1CCCC1 45511631 JNHSAVZJMYKSDN-UHFFFAOYSA-N 248.326 2.113 0 40 BEAB COc1ccc2cc(C(=O)NC3CC3)[nH]c2c1 46728574 FAIHIGZNONUYAT-UHFFFAOYSA-N 230.267 2.069 0 40 BEAB C[C@@H](S[C@H](C)c1ccccc1F)C(N)=O 48681397 JHDFKNYBYMQRGO-HTQZYQBOSA-N 227.304 2.494 0 40 BEAB CCOC(=O)CN1CCc2sccc2[C@@H]1C 49900857 KKMBONFQBPBRBN-VIFPVBQESA-N 239.340 2.230 0 40 BEAB C[C@H]1CNCCN1C(=O)C[C@H](C)CC(C)(C)C 54369983 PGEYFXAHUPHRHL-RYUDHWBXSA-N 240.391 2.269 0 40 BEAB Nc1ccc2c(c1)O[C@@](F)(Cl)C(F)(F)O2 59565752 WOINQMFAPAESTP-SSDOTTSWSA-N 239.580 2.495 0 40 BEAB Cc1occc1C(=O)NCCCOC(C)C 61485492 FNJVZDDSRINNIV-UHFFFAOYSA-N 225.288 2.133 0 40 BEAB Cc1noc([C@@H](C)N(C)Cc2ccc(C)o2)n1 65622684 GPHQDZIEMWEGSS-SECBINFHSA-N 235.287 2.472 0 40 BEAB NCc1cc(F)c(Br)cc1F 70022598 LRLNRRVWKNFFOB-UHFFFAOYSA-N 222.032 2.186 0 40 BEAB in-vitro OC[C@@H](c1c(F)cccc1F)N1CCCCC1 70452999 CJAPEDYTPROFGH-LBPRGKRZSA-N 241.281 2.484 0 40 BEAB CCN(CC)c1ncccc1[C@@H]1CCCN1 72212878 KFDLTBPAVJUFIQ-LBPRGKRZSA-N 219.332 2.352 0 40 BEAB Cc1cc(NCc2ccccc2)ncc1CO 72223361 DQFGFBIAQXCCLB-UHFFFAOYSA-N 228.295 2.494 0 40 BEAB COC(=O)c1ccc(-c2ccc(OC)cc2N)o1 73640314 IHPQCXKXVOGEIH-UHFFFAOYSA-N 247.250 2.324 0 40 BEAB C(=C/c1ccccc1)\CCN[C@@H]1CCCNC1 79439245 ZXOMGXZWDRHMEO-BCFOUKGLSA-N 230.355 2.432 0 40 BEAB COc1cc(OC)c([C@@H]2CCCN2)c(OC)c1 82548853 FCHYQFHCBWCEPO-JTQLQIEISA-N 237.299 2.137 0 40 BEAB O=C(Nc1ccc(O)cc1F)C1CC=CC1 82879339 RCHXQDGTMINKGC-UHFFFAOYSA-N 221.231 2.436 0 40 BEAB CC(=O)c1csc(Br)n1 84305922 KMLXESRYDSFCOJ-UHFFFAOYSA-N 206.064 2.108 0 40 BEAB CCCCCCNC(=O)N1CCSCC1 84743132 AHDZALFYEPOHCU-UHFFFAOYSA-N 230.377 2.325 0 40 BEAB Cc1noc(CCN[C@@H]2CCCC2(C)C)n1 89518957 SNZDELQFCLEHAU-SNVBAGLBSA-N 223.320 2.089 0 40 BEAB CNC(=O)C(C)(C)CNC[C@H]1CCC[C@H](C)C1 92567675 HEMOVWJQYKYWPX-RYUDHWBXSA-N 240.391 2.175 0 40 BEAB CCNCc1cc(-c2cc(F)cc(F)c2)[nH]n1 94829583 WYJPMWHYGAJWEP-UHFFFAOYSA-N 237.253 2.464 0 40 BEAB CCCC(=O)O[C@H](C)Cc1cccnc1 95463457 HFGXTMRSKCIVPY-SNVBAGLBSA-N 207.273 2.356 0 40 BEAB N[C@H](CCc1cc(Cl)ccc1Cl)C(=O)O 95749217 RJEDYAFWGILHRM-SECBINFHSA-N 248.109 2.338 0 40 BEAB O=C([C@H]1CCCO1)N1CCC2(CCCC2)CC1 97002422 DLKZIAFBOJAYRK-GFCCVEGCSA-N 237.343 2.348 0 40 BEAB CSCCOC(=O)C1CCCCC1 98070457 JJGOQTYGOONGBK-UHFFFAOYSA-N 202.319 2.473 0 40 BEAB CC(C)NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100749351 DURSMUSFOOJCSV-KBPBESRZSA-N 237.343 2.297 0 40 BEAB Cc1cc2[nH]c(=S)n(CC(C)C)c(=O)c2[nH]1 101375076 XKLAZMFIBDURPD-UHFFFAOYSA-N 237.328 2.352 0 40 BEAB OC[C@H]1CC[C@H](NC[C@H]2CC=CCC2)CC1 104314157 FAJYJMBNNQFHDB-MELADBBJSA-N 223.360 2.483 0 40 BEAB CCN(CC)C(=O)C1(c2ccc(N)cc2)CC1 125939773 DMBDKLZCNBESOK-UHFFFAOYSA-N 232.327 2.169 0 40 BEAB COC(=O)CCCCOc1ccc(OC)cc1 136301129 CAVOKMUYYYORMT-UHFFFAOYSA-N 238.283 2.417 0 40 BEAB in-vitro COC(=O)[C@H](C)SCCN1CCC[C@@H](C)C1 195570634 DGIBNBGMRYYOJE-MNOVXSKESA-N 245.388 2.013 0 40 BEAB CCCO[C@@H](Cc1ccccc1C)C(=O)O 225016678 RQCNHKYUNVRVEZ-LBPRGKRZSA-N 222.284 2.417 0 40 BEAB COC(=O)CCC(=O)c1cc(F)c(F)cc1F 234685775 GHMTXUWXDATXFE-UHFFFAOYSA-N 246.184 2.240 0 40 BEAB COC(=O)CC[C@@H]1CCC2(CCNCC2)C1 382700126 CFEQXBCZRFSKKM-LLVKDONJSA-N 225.332 2.110 0 40 BEAB COc1ccccc1C(=O)Nc1nnc(C)s1 1418541 XRMRKVNQMBDQKR-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB O=C(O)[C@H](O)c1ccc(Cl)c(Cl)c1 1687085 TZCCKRXYTBHLMH-SSDOTTSWSA-N 221.039 2.111 0 40 BEAB in-vitro CC[C@@]1(C)OC(=O)[C@@H](c2ccccc2)O1 1687897 ZNXPDXFSIBVTGN-ZYHUDNBSSA-N 206.241 2.427 0 40 BEAB CCCCN(CC)c1cn[nH]c(=O)c1Cl 1917438 AZNCKQYTNLYIKG-UHFFFAOYSA-N 229.711 2.050 0 40 BEAB CC(=O)OC(OC(C)=O)[C@@H](C)c1ccccc1 2045435 ZBGDNICKLCRTBW-VIFPVBQESA-N 236.267 2.242 0 40 BEAB biogenic C[C@@H]1CNCCN1c1ccc(Cl)cc1 2164486 YOOLKLKIUUTLFC-SECBINFHSA-N 210.708 2.138 0 40 BEAB Cc1cccc(NCN2C(=O)CSC2=O)c1 3880750 PKHZXISVHOQCMC-UHFFFAOYSA-N 236.296 2.060 0 40 BEAB Cc1ccc(C(=O)O[C@H]2CCCN(C)C2)cc1 4552913 ABYXUESOTRGACZ-ZDUSSCGKSA-N 233.311 2.246 0 40 BEAB CCCn1c(CCNC(C)=O)nc2ccccc21 4943181 XNSYCJMQXPTHOV-UHFFFAOYSA-N 245.326 2.125 0 40 BEAB C[C@H]1Cc2cc(C(=O)CCN(C)C)ccc2O1 5534413 VBYSKZXLNUGJFA-JTQLQIEISA-N 233.311 2.144 0 40 BEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12 11567272 KRBKBSUHIBFJRE-UHFFFAOYSA-N 233.271 2.098 0 40 BEAB Cc1cccc(CN2C(=O)N[C@@H](C(C)C)C2=O)c1 12984082 UPOOBQUMTKZHRJ-LBPRGKRZSA-N 246.310 2.071 0 40 BEAB Cc1ccc(C(=O)Nc2ccn(C)n2)cc1C 14899594 YLVHCQJWXKXFRL-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB COC(=O)c1c(C)nc(C2CC2)[nH]c1=S 15589957 GVECHMNLDWLPBE-UHFFFAOYSA-N 224.285 2.112 0 40 BEAB in-vitro CCCNC(=S)NC1CCCCC1 17083495 LVMOFXPDSLTZHU-UHFFFAOYSA-N 200.351 2.193 0 40 BEAB CNCc1ccc(OC(C)C)c(OC)c1 19776964 FGSAQZVCKIPUJF-UHFFFAOYSA-N 209.289 2.202 0 40 BEAB CCCN1CCN(c2ccccc2C=O)CC1 20079146 QOTMZGPLOXUNGB-UHFFFAOYSA-N 232.327 2.031 0 40 BEAB in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCCO 20187822 KAQXLSAOMMGBQJ-AGIUHOORSA-N 213.365 2.419 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)O)c(OC)c1 20392306 CULABQLGBWDNOG-GGZOMVNGSA-N 222.284 2.188 0 40 BEAB Cc1cc(C(=O)NCc2cccnc2)c(C)o1 21703309 MTGXORXTAUVANA-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB CC(=O)c1ccc(S(C)(=O)=O)c(C)c1Cl 22013386 KLJPFWVJHXRIPL-UHFFFAOYSA-N 246.715 2.255 0 40 BEAB NCCc1ccc(OCc2ccccn2)cc1 22150934 SBGRYKJIYHPJLB-UHFFFAOYSA-N 228.295 2.162 0 40 BEAB N[C@H]1CCc2cccc(Br)c2C1 22198604 YNXLDZYAFGPNHL-QMMMGPOBSA-N 226.117 2.265 0 40 BEAB Cc1ccsc1C(=O)NCc1cn(C)nc1C 32611427 SXOLKSDHXLSKHD-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB O[C@@H]1CC=C[C@@H]1COCc1ccccc1 34206537 WACMQXMZXZTKIV-CHWSQXEVSA-N 204.269 2.140 0 40 BEAB CCOC(=O)c1cn(Cc2ccccc2)cn1 34462807 ALQFJPBWIILTCH-UHFFFAOYSA-N 230.267 2.108 0 40 BEAB O=C(O)[C@@H]1CCC[C@H]1NCc1ccccc1 34504294 FJMJOYQGUPTRDF-VXGBXAGGSA-N 219.284 2.030 0 40 BEAB Cc1ccc(C(=O)Nc2cn[nH]c2)cc1F 35237783 BOTWOMBJBZBILZ-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB CCCCc1ccc(C(=O)C(=O)O)cc1 36893460 ZXKAOVQXLBPVIL-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB CCN(CC)[C@H](Cc1ccccc1)C(=O)O 37361260 OIJSDANCPHWBIZ-GFCCVEGCSA-N 221.300 2.024 0 40 BEAB O=C(O)CCCCc1nc2ccc(F)cc2[nH]1 37438933 AGDXEVYAKGNGAY-UHFFFAOYSA-N 236.246 2.499 0 40 BEAB CC(C)(O)CSc1nc2ccccc2[nH]1 37697204 ZRJLDAOVGASBTR-UHFFFAOYSA-N 222.313 2.426 0 40 BEAB COCCCNC(=O)Nc1cccc(C)c1C 40525354 LIZKZNUHOGZJQI-UHFFFAOYSA-N 236.315 2.461 0 40 BEAB O=C(CN1CCCCCC1=O)c1ccccc1 50129172 FRCYPHAIVQCTGU-UHFFFAOYSA-N 231.295 2.272 0 40 BEAB COCCN(C)[C@H](C)c1ccc(F)cc1 53422704 GDCQELPCBYSPGH-SNVBAGLBSA-N 211.280 2.465 0 40 BEAB C[C@@H]1CN(Cc2cccc(F)c2F)CCO1 54172367 UZISXBYHRQHUDI-SECBINFHSA-N 227.254 2.186 0 40 BEAB CCOC(=O)[C@@H](C)Oc1cc(F)cc(F)c1 54931902 LAGWWWXJIQKHSM-SSDOTTSWSA-N 230.210 2.295 0 40 BEAB C[C@@H]1CCC[C@H](CNC(=O)c2cnns2)C1 55487934 PPACRXZTFOLJFZ-BDAKNGLRSA-N 239.344 2.094 0 40 BEAB COc1cc(C)c(Cl)c(C)c1C(N)=O 57339662 PNOQBDWARWJYDD-UHFFFAOYSA-N 213.664 2.064 0 40 BEAB COC[C@H](C)NC(=O)Nc1ccc(F)cc1C 58282672 NLVGKUXKBJJFFI-VIFPVBQESA-N 240.278 2.291 0 40 BEAB Cc1cc2[nH]nnc2cc1Br 59379953 IUMXSOZTOJXFPI-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1Cl 62713459 RGVYVANDZZIXKK-GXSJLCMTSA-N 246.137 2.418 0 40 BEAB COc1ccc(OC)c([C@H]2C[C@@H]2[C@@H](C)O)c1 62713855 ZEKOAWYKSMNJMM-IEBDPFPHSA-N 222.284 2.188 0 40 BEAB CNc1ncc(CNCc2ccc(C)cc2)cn1 62717470 DLELLBFASRFPMN-UHFFFAOYSA-N 242.326 2.117 0 40 BEAB Cc1c(C(=O)C(Cl)(Cl)Cl)cnn1C 66324297 XZSZOFCYRIIKHQ-UHFFFAOYSA-N 241.505 2.281 0 40 BEAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)on1 71867168 HQMAKPKRSDQYOT-VIFPVBQESA-N 234.255 2.409 0 40 BEAB CNC(=O)NC[C@H](C)Oc1ccccc1Cl 80613993 KTIUCMLEHOTUSL-QMMMGPOBSA-N 242.706 2.036 0 40 BEAB CCn1nc(-c2ccc(C(=O)O)o2)cc1C 85392433 BBWVMWPMIMTOKO-UHFFFAOYSA-N 220.228 2.170 0 40 BEAB COC(=O)[C@@]1(C)O[C@]1(C)C1CCCCC1 85657940 ODUQUFFHYSBQIT-VXGBXAGGSA-N 212.289 2.287 0 40 BEAB CC1(C)CC[C@@H](C(N)=O)c2ccccc21 95348534 PYXLNYNUSZVTNW-SNVBAGLBSA-N 203.285 2.327 0 40 BEAB CC(C)(C)OC(=O)N1CC(C(F)F)C1 96032304 NHKSMFCAJROIRQ-UHFFFAOYSA-N 207.220 2.118 0 40 BEAB Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 96034450 NBUIPZPBPWVALC-UHFFFAOYSA-N 234.299 2.037 0 40 BEAB in-vitro CC1=CCC[C@@H](C)[C@@H]1CNCCn1ccnc1 97098512 HYQGDGLMTBINIF-ZIAGYGMSSA-N 233.359 2.465 0 40 BEAB CCC(=O)Nc1cc(F)ccc1C(C)=O 97107052 UPERREQEAGOSEV-UHFFFAOYSA-N 209.220 2.377 0 40 BEAB COc1ccc(NCc2c(C)n[nH]c2C)c(C)n1 97115625 XSZXRBVQXCJLKV-UHFFFAOYSA-N 246.314 2.351 0 40 BEAB CCOC(CN1[C@@H](C)CC[C@H]1C)OCC 97161665 HIGCOTCDNPEBCH-PHIMTYICSA-N 215.337 2.258 0 40 BEAB CC(=O)N1C[C@]23C=C[C@@H](C[C@@H]2CC12CCCC2)O3 101427079 QLOISECRUXBCQN-VNHYZAJKSA-N 247.338 2.265 0 40 BEAB Cc1ncccc1CN1CCN(C)C[C@H]1C(C)C 108472700 IQDAXXSRUQCDRA-HNNXBMFYSA-N 247.386 2.162 0 40 BEAB CON(C)C(=O)c1ccc(Cl)c(C)c1 125218891 BMAQQBYNHFYZEE-UHFFFAOYSA-N 213.664 2.282 0 40 BEAB in-vitro Nc1cc(Br)c2nc(N)sc2c1 149641144 QKBJSPUJUFCJLC-UHFFFAOYSA-N 244.117 2.223 0 40 BEAB O=C(Nc1cccnc1)N1C[C@@H]2CCC[C@H]2C1 150820679 ZFDOAFOHXIHZBF-QWRGUYRKSA-N 231.299 2.345 0 40 BEAB CCc1cccc(Cn2nc(C)ccc2=O)c1 189015588 ZSEIFFFXRXHCEQ-UHFFFAOYSA-N 228.295 2.162 0 40 BEAB O=C(NC[C@@H]1CC[C@@H](O)C1)OCc1ccccc1 199714259 YIKGCGVKXMVDMH-CHWSQXEVSA-N 249.310 2.074 0 40 BEAB COC(=O)c1ccc(CCC(C)C)n1C 226024536 HHBNLQVGBKCJOD-UHFFFAOYSA-N 209.289 2.400 0 40 BEAB CCCN(Cc1ccccc1O)[C@@H](C)C(=O)O 236733401 BAKGPMFMMJCWHN-JTQLQIEISA-N 237.299 2.077 0 40 BEAB OCc1nc2ccccc2nc1C(F)(F)F 247847190 HKCQTTATOWLBCS-UHFFFAOYSA-N 228.173 2.141 0 40 BEAB O=C(CC1CCC1)N1CCC(CF)CC1 334532786 VFQMGNIVTIAQBX-UHFFFAOYSA-N 213.296 2.385 0 40 BEAB COC(=O)N1Cc2sccc2N(Cl)C1 575433752 GOGCNMXUUPAGJV-UHFFFAOYSA-N 232.692 2.248 0 40 BEAB Cc1cnn(Cc2cc(C3CC3)no2)c1 585098063 IVRJMKAORORVEY-UHFFFAOYSA-N 203.245 2.105 0 40 BEAB c1nc(O[C@@H]2CCSC2)cc(C2CC2)n1 585652712 SWLWWSFSWVMENY-SECBINFHSA-N 222.313 2.238 0 40 BEAB Oc1cccc(NCCOCC(F)(F)F)c1 1083811674 BCIIJTVAGOIXIG-UHFFFAOYSA-N 235.205 2.383 0 40 BEAB CC(C)(C)OC(=O)N1[C](C(=O)O)[C@H]2CC[C@@H]1C2 1560410200 JJINKMKCUHGMFQ-JGVFFNPUSA-N 240.279 2.022 0 40 BEAB Oc1ccc(-c2cn3c(n2)SCC3)cc1 81023 ZAKNXVYBQHMJDW-UHFFFAOYSA-N 218.281 2.361 0 40 BEAB Cc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 325027 MYCMHXVZSRZJOH-LLVKDONJSA-N 229.283 2.470 0 40 BEAB CC(C)CC(=O)NC(=O)NC1CCCCC1 509514 YJZUDDCBIXWXKS-UHFFFAOYSA-N 226.320 2.191 0 40 BEAB COc1cccc(CCCC(=O)O)c1OC 1692775 FRSUGDIFUQSGOL-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB CC[C@](C)(O)[C@H](C(=O)O)C1CCCCC1 1733962 MUOCGNVVTYEQPL-JQWIXIFHSA-N 214.305 2.429 0 40 BEAB CCOC(=O)CCC(=O)c1ccccc1F 2378985 NIHGNYNVGSYZIG-UHFFFAOYSA-N 224.231 2.352 0 40 BEAB O=C1NC2(CCCCC2)N=C1c1ccccc1 4076590 XZKWZMSPSMVVCZ-UHFFFAOYSA-N 228.295 2.266 0 40 BEAB O=C(Nc1ccccc1)N1CCCC[C@@H]1CCO 6864348 YDKAFKASEDIXBA-CYBMUJFWSA-N 248.326 2.455 0 40 BEAB COc1ccc([C@H](C)CCN)cc1OC 11629519 XZGIXSLHJDKMKM-SECBINFHSA-N 209.289 2.156 0 40 BEAB C1Cc2nc([C@@H]3CCCNC3)sc2C1 11632030 XYWFGZKQFBKBMH-MRVPVSSYSA-N 208.330 2.099 0 40 BEAB Clc1cccc(CO[C@H]2CCNC2)c1 14632042 PUXHYZZJFMFSQG-NSHDSACASA-N 211.692 2.219 0 40 BEAB O=C(NC1CCCC1)c1ccnc(Cl)c1 19813391 SNDKPEJQSKROBF-UHFFFAOYSA-N 224.691 2.407 0 40 BEAB CC[C@H](C)NCc1cc(OC)c(O)c(OC)c1 20085663 BVMCXNHSXPRBLZ-VIFPVBQESA-N 239.315 2.298 0 40 BEAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc[nH]c1=O 31384909 NXORIIFNRQVBQN-PWSUYJOCSA-N 248.326 2.026 0 40 BEAB NC[C@H](O)c1cccc(OCc2ccccc2)c1 32101118 QIYWBYUBHXYPGT-HNNXBMFYSA-N 243.306 2.258 0 40 BEAB COc1ccc(-c2ccnc(NC#N)n2)cc1F 32103340 HQEMUCGLSDUTPG-UHFFFAOYSA-N 244.229 2.184 0 40 BEAB CCc1ccc(C2=NN=C(N)SC2)cc1 32502420 YQYKJIIBPXUDJU-UHFFFAOYSA-N 219.313 2.015 0 40 BEAB CCCCC(=O)N[C@@H]1CCCc2c1cnn2C 32828202 SGBDFPRXICNLJX-LLVKDONJSA-N 235.331 2.104 0 40 BEAB O=C(Cn1cccn1)N1CCC[C@H]2CCCC[C@H]21 32903899 CUXQUDCXAPCFDD-CHWSQXEVSA-N 247.342 2.064 0 40 BEAB OCc1cccc(NCc2ccco2)c1 37048410 QOCFYYXBBOMKGP-UHFFFAOYSA-N 203.241 2.384 0 40 BEAB CCOCCNCc1ccc(C)c(C)c1 37269247 VZIJOWWCFPXAMZ-UHFFFAOYSA-N 207.317 2.430 0 40 BEAB C=CC(=O)N1CCc2sccc2[C@@H]1C 38100565 ADHORSODJWZWAM-QMMMGPOBSA-N 207.298 2.380 0 40 BEAB CC(=O)Cc1nc(-c2ccc(F)cc2)no1 38478263 RCOLPEQBJVRYOP-UHFFFAOYSA-N 220.203 2.007 0 40 BEAB O=C(O)CCc1cc(F)c(F)cc1F 39712921 OMEITIOVLWUOPR-UHFFFAOYSA-N 204.147 2.121 0 40 BEAB CCOc1cccc(OC[C@@H]2CCNC2)c1 42773664 MGPPZRGNENMYSJ-LLVKDONJSA-N 221.300 2.074 0 40 BEAB CC1CCC(NC(=O)/C=C/c2cnn(C)c2)CC1 44868254 GHERZNKYUAQVGA-VMPITWQZSA-N 247.342 2.128 0 40 BEAB COC(=O)[C@@H](C)Nc1cc(C)ccc1C 44870443 LKRHNMWYCVMUPH-SNVBAGLBSA-N 207.273 2.277 0 40 BEAB CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 44976604 MVRNCZJEDAJLJR-SFYZADRCSA-N 223.238 2.443 0 40 BEAB COCCN(C(=O)c1ccncc1)C1CCCC1 45511651 ALLLMMPJJDPMDQ-UHFFFAOYSA-N 248.326 2.113 0 40 BEAB Cc1nc(CN2c3ccccc3C[C@H]2C)no1 51087618 UNBUBMGTWCNPGD-SECBINFHSA-N 229.283 2.329 0 40 BEAB O=C(NC1CC1)N1CC[C@@H](Nc2ccccc2)C1 65515418 PPYXRVNBFQLNFF-CYBMUJFWSA-N 245.326 2.045 0 40 BEAB CC(C)(NC(=O)c1coc2ccccc12)C(=O)O 70390880 UMVIDLIQTUHNSX-UHFFFAOYSA-N 247.250 2.026 0 40 BEAB CCOC(=O)CC1(NC2CC2)CCCCC1 72210233 FCPNXJCYQIMQGN-UHFFFAOYSA-N 225.332 2.395 0 40 BEAB CC(C)(C)[C@H](NCCO)c1ccc(F)cc1 72309123 GLPWMTWKXSCWPW-GFCCVEGCSA-N 225.307 2.495 0 40 BEAB C[C@@H](C(=O)O)n1cc(-c2cccc(F)c2)cn1 85391385 CGMDXEWTHRHOAZ-QMMMGPOBSA-N 234.230 2.335 0 40 BEAB O=C(c1ncco1)c1c(F)cccc1F 85651169 VAZIGHLZLIEDIZ-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB Cc1nc2nc(CN)ccc2c(C)c1C 95533183 FHSHGTWMXDYGCK-UHFFFAOYSA-N 201.273 2.014 0 40 BEAB CC(C)[C@@](C)(O)C(=O)N[C@H](C)c1ccccc1 95627581 HXXSZRVCROUSEW-BXUZGUMPSA-N 235.327 2.271 0 40 BEAB COc1cc([C@@H]2CCCNC2)ccc1C 95828480 RERPLLRFXHFUAR-GFCCVEGCSA-N 205.301 2.471 0 40 BEAB CSCCOC(=O)c1ccc(Cl)cn1 96443010 FSNQUAUHLFHPJR-UHFFFAOYSA-N 231.704 2.255 0 40 BEAB O[C@H]1CCC[C@@H]1Nc1ccncc1Cl 97104652 QIQBHGUBPIHVQU-UWVGGRQHSA-N 212.680 2.060 0 40 BEAB NC(=O)c1c(F)cccc1OC1CCCC1 97115456 BLVVBDPQHKQMEF-UHFFFAOYSA-N 223.247 2.246 0 40 BEAB CCOc1cccc(NC(=O)N(CC)C2CC2)n1 97378707 NOOHCMBJWXKQSA-UHFFFAOYSA-N 249.314 2.497 0 40 BEAB Clc1ccc2c(c1)C1(CCNCC1)CO2 98213586 NMSMJFKBMHOVQM-UHFFFAOYSA-N 223.703 2.354 0 40 BEAB O=C1[C@H]2CSC[C@H]1CN(Cc1ccccc1)C2 100436327 ONSHXQWGCKFQFZ-CHWSQXEVSA-N 247.363 2.051 0 40 BEAB CCCCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 102846824 SHHQWCFPXBMQNF-VHSXEESVSA-N 241.718 2.304 0 40 BEAB CC1(C)COCCN1C(=O)C1[C@H]2CCCC[C@H]12 104191157 SUYLLFBMQOUJEQ-QWRGUYRKSA-N 237.343 2.060 0 40 BEAB C1CC[C@@H]2CCN(C[C@@H]3CCCNC3)C[C@H]2C1 108275825 RSFGURGCIUVVEK-RBSFLKMASA-N 236.403 2.498 0 40 BEAB O=C(O)[C@H]1CNc2ccc(C(F)(F)F)cc2C1 138224677 NDRCFMGLAMARKS-SSDOTTSWSA-N 245.200 2.374 0 40 BEAB Cc1ccc(-c2nc(N)n(C)c2C)cc1 199560762 PNVYFOMEARPTNL-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB NC[C@H]1C[C@]12CCCN(Cc1ccccc1)C2 212746704 LEMUKCPOVGHJHT-CABCVRRESA-N 230.355 2.247 0 40 BEAB c1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218831644 DWNQWSQAKMLZFG-UONOGXRCSA-N 216.328 2.407 0 40 BEAB CCCNC(=O)c1conc1-c1ccccc1 225870383 SDCSGFDYUMTTCY-UHFFFAOYSA-N 230.267 2.481 0 40 BEAB Cc1cnc([C@@H](C)Nc2ccnc(N(C)C)n2)o1 235223576 RUYABTSKKWNTCM-SECBINFHSA-N 247.302 2.012 0 40 BEAB C[C@@]12CC[C@@H](C[C@@H]1O)[C@]2(C)CCC(=O)O 242547874 KXIHOSNFVBVESP-FSZOTQKASA-N 212.289 2.038 0 40 BEAB CCCCOC(=O)c1cc(O)ccc1F 521399475 NOOJGZIIJKAMAE-UHFFFAOYSA-N 212.220 2.488 0 40 BEAB Cn1cnnc1[C@]1(C)CCCN(C2CCCC2)C1 607855408 VXHDJQIGPYTJAV-CQSZACIVSA-N 248.374 2.111 0 40 BEAB COc1nc(C)c(Cl)c(C)c1C(=O)O 669370121 RNMVBEOZFLRMCK-UHFFFAOYSA-N 215.636 2.059 0 40 BEAB CSc1ncc(C)c[n+]1-c1ccccc1 1869846 RQRQFGNMNPMCDF-UHFFFAOYSA-N 217.317 2.389 0 40 BEAB CCCCOC(=O)N1C(=O)C(=O)c2ccccc21 2274688 NILHNYHWDMTLBX-UHFFFAOYSA-N 247.250 2.153 0 40 BEAB CCOC(=O)CCC(=O)c1c(F)cccc1F 2378979 AINAHYKZRYTOQG-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB CC(C)(C)OC(=O)c1ccccc1C=O 2577987 AMGDHQPXAGWBSF-UHFFFAOYSA-N 206.241 2.454 0 40 BEAB O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCCCC1)C2 3172244 KZXKGTUXJDCKGX-RYUDHWBXSA-N 249.354 2.394 0 40 BEAB Cc1ccc(-n2cccc2)cc1C(=O)O 5896662 LQLMUTQFOXUZDO-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB Cc1ccc([C@H]2NC(=O)c3ccccc3N2C)o1 8710428 QUNLJEPDJILOGT-ZDUSSCGKSA-N 242.278 2.466 0 40 BEAB O=C(O)CNc1ccc(Br)cc1F 8730570 IROGGANICODFAN-UHFFFAOYSA-N 248.051 2.085 0 40 BEAB Cc1ccc(F)cc1NC(=O)CNC(C)(C)C 9586310 MEKWJTIRQQGSFL-UHFFFAOYSA-N 238.306 2.461 0 40 BEAB CCCCCNC(=O)c1ccc2c(c1)OCCO2 13582475 MUWDQTXEAQXLJW-UHFFFAOYSA-N 249.310 2.378 0 40 BEAB COc1ccccc1CSc1nnc[nH]1 16228443 VQWFJSPGAGDLSD-UHFFFAOYSA-N 221.285 2.106 0 40 BEAB CC[C@H](C)NCc1ccc(OC)c(O)c1 19881882 QRSHSNRBDHBUGQ-VIFPVBQESA-N 209.289 2.289 0 40 BEAB CC(=O)c1cnn(Cc2ccccc2)c1C 20216592 ZIEGEZDYSRLXCJ-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB CCOC(=O)CC(=O)c1cc(C)ccc1OC 20475441 CPRIMQOWBJLQFD-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB COCc1noc(N)c1-c1ccccc1 26512583 ZAMSXTOSVMQMKW-UHFFFAOYSA-N 204.229 2.070 0 40 BEAB Cc1n[nH]c(C)c1NC(=O)OCC(F)(F)F 36736597 FMWVFGOHIHSJNX-UHFFFAOYSA-N 237.181 2.137 0 40 BEAB in-vitro Cc1n[nH]cc1CNc1ccc(F)cc1 36901513 VUWBAJGDPKAUDO-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB CC(=O)c1nc(Br)cs1 38325373 YQJROTDRGHSQNZ-UHFFFAOYSA-N 206.064 2.108 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CC[C@H]2CCC[C@@H](C1)N2 38343330 JZYLWFDGGQTJND-MNOVXSKESA-N 240.347 2.138 0 40 BEAB C[C@H]1CCCN(c2cc(Cl)ncn2)C1 40422334 GAYVBGWDNBOZRY-QMMMGPOBSA-N 211.696 2.366 0 40 BEAB in-vitro NC[C@@H](c1ccc(Cl)cc1)n1ccnc1 42947308 ZPGHKIHSABSGNS-NSHDSACASA-N 221.691 2.085 0 40 BEAB Cc1ccc(C)c(CC(=O)NC2CC2)c1 44900052 MTVMTJCPOUPLMZ-UHFFFAOYSA-N 203.285 2.125 0 40 BEAB Cc1ccsc1C(=O)N1C[C@@H](C)OC[C@H]1C 45445917 MZHBLKBTMIASOU-NXEZZACHSA-N 239.340 2.306 0 40 BEAB CNC[C@H]1CCN(Cc2ccc(C)s2)C1 53034635 CRDDNNOVRLXICC-LLVKDONJSA-N 224.373 2.098 0 40 BEAB COc1ccc([C@@H](O)c2ccccn2)c(OC)c1 55232742 HNOXBKQEEVIRHV-CQSZACIVSA-N 245.278 2.181 0 40 BEAB CC1(C(=O)O)CCN(CCc2ccccc2)CC1 62844351 SDPLVIPMESRUNI-UHFFFAOYSA-N 247.338 2.416 0 40 BEAB CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccccc1 69493088 ZPCYUQCSVNTKTK-LSDHHAIUSA-N 248.370 2.058 0 40 BEAB CCOc1ccc(C(=O)CCC(=O)O)cc1F 71549997 HXZRWFLDERXQFQ-UHFFFAOYSA-N 240.230 2.272 0 40 BEAB CC(=O)N1C[C@H](C)CNc2ccccc21 71790376 WMBHINWRJXGBIE-SECBINFHSA-N 204.273 2.101 0 40 BEAB in-vitro CCOc1ncccc1[C@@H]1CCCN1C(C)=O 72211832 DHJCQKZJKLOHGK-LBPRGKRZSA-N 234.299 2.164 0 40 BEAB O=C(O)C1(c2ccc(F)cc2F)CCOCC1 75932546 VIYHNGKWSFKLEO-UHFFFAOYSA-N 242.221 2.098 0 40 BEAB in-vitro O=C(Oc1ccc2cn[nH]c2c1)c1cscn1 86030333 AIJZFHVMNRJPLD-UHFFFAOYSA-N 245.263 2.239 0 40 BEAB Cc1ccc(C(=O)COCc2ncc[nH]2)cc1C 89643178 NYVQGFVYJNMREZ-UHFFFAOYSA-N 244.294 2.426 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CCCN[C@H]2C)cc1C 91496246 POKZXIDCWSUYOX-GXTWGEPZSA-N 246.354 2.174 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCNC[C@H]2C)c1C 94345005 KBLVNRQZEBKUOV-BXUZGUMPSA-N 246.354 2.031 0 40 BEAB Cc1ccc([C@H]2N=C(O)[C@@H]3CCCCN32)nc1 95966449 NEZLRIUTSISDMU-RYUDHWBXSA-N 231.299 2.213 0 40 BEAB CSCCCNC(=O)Nc1ccnc(C)c1 96489220 GUFCKEHLAFHDJT-UHFFFAOYSA-N 239.344 2.265 0 40 BEAB C[C@@H]1CCCC[C@H]1CNCCC[S@](C)=O 97086560 VZFCFPCDFZQTBX-TYNCELHUSA-N 231.405 2.171 0 40 BEAB CCc1nnc(NCc2cccn2C)s1 97231784 VSPVRNGXHYYZNC-UHFFFAOYSA-N 222.317 2.051 0 40 BEAB c1ccc2c(c1)NC[C@@]21C[C@@H]2CC[C@H](C1)N2 100004728 FUFDMCCOBKFFDP-GNXNZQSNSA-N 214.312 2.264 0 40 BEAB OC[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2 149146531 HUMHLGKGPBRHRM-HUUCEWRRSA-N 231.339 2.281 0 40 BEAB CC(=O)n1cc(C=O)c2ccc(C)cc21 199736202 YJTYDDKBLWWMPS-UHFFFAOYSA-N 201.225 2.422 0 40 BEAB CC1(C)C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 217764226 YSBZINBIZFCHTH-UWVGGRQHSA-N 243.347 2.451 0 40 BEAB O=C1CCc2cc(O)ccc2N1CC1CCC1 218784149 SPWSTQLXRQLVQB-UHFFFAOYSA-N 231.295 2.472 0 40 BEAB N[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 218883538 JTSPYXFCIXDUNO-QWRGUYRKSA-N 212.243 2.257 0 40 BEAB Cc1nccc([C@H]2CCCN2C(=O)C2CCC2)n1 257281361 OOVGDSMFDWPWEY-CYBMUJFWSA-N 245.326 2.249 0 40 BEAB CCn1nc(N)cc1COc1ccccc1 257884686 HVHMISHJJDCOGM-UHFFFAOYSA-N 217.272 2.064 0 40 BEAB COCOc1ccc(Cl)c(C=O)c1F 1083800017 QDWPUEZXUDPYHS-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB CN(C)C=C1C(=O)Nc2cc(Cl)ccc21 1857622654 YJDOALCKVFVBTA-UHFFFAOYSA-N 222.675 2.195 0 40 BEAB CCOC(=O)c1cc(-c2cccc(C)n2)on1 1857793954 CBJATCHINLCHPD-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB CC[C@@H](C)NC(=O)c1ccccc1OC 290240 KGPHPTSJCDCHNY-SECBINFHSA-N 207.273 2.224 0 40 BEAB Clc1cc(Cl)cc(-c2nnn[nH]2)c1 2389396 VCYMSAGOTYBIHM-UHFFFAOYSA-N 215.043 2.174 0 40 BEAB O=C(Nc1nnc(C2CC2)s1)c1ccccn1 2651158 JAQXDSCTRKSCGR-UHFFFAOYSA-N 246.295 2.063 0 40 BEAB O=C1OCC[C@H]1N1CC=C(c2ccccc2)CC1 12915328 KCZPRPKQXPDCFQ-CQSZACIVSA-N 243.306 2.091 0 40 BEAB COCCNCc1ccc(OCC(C)C)cc1 19738049 YXEUTEIFAUMXGE-UHFFFAOYSA-N 237.343 2.457 0 40 BEAB Cc1cc(NCc2cccc(O)c2)nn1C 20352767 PSTSTSMFUIENDF-UHFFFAOYSA-N 217.272 2.046 0 40 BEAB Cc1cc(C)n(CCNC(=O)C2CCCCC2)n1 28228756 BFEJEUCRJIYSDH-UHFFFAOYSA-N 249.358 2.196 0 40 BEAB O=C(Nc1cn[nH]c1)c1ccccc1Cl 35237494 MICGDPWNMHKECK-UHFFFAOYSA-N 221.647 2.315 0 40 BEAB CC[C@H](C)Nc1ccc(C(=O)O)cc1N 37930159 SOESPZYCNIPWFV-ZETCQYMHSA-N 208.261 2.177 0 40 BEAB Cc1ccc(SCCN2C(=O)CCC2=O)cc1 40159385 OCOMNGZJWGBXRV-UHFFFAOYSA-N 249.335 2.236 0 40 BEAB Cc1ccc(NS(=O)(=O)C2CC2)cc1F 42381979 SSQWMPJQODRXDR-UHFFFAOYSA-N 229.276 2.038 0 40 BEAB CNC[C@@H]1C[C@@H]1c1ccc(OC)cc1OC 54588571 FKZTUXUPAFVPSV-CABZTGNLSA-N 221.300 2.027 0 40 BEAB CC(C)n1c(=O)c(C(=O)O)cc2ccccc21 57217649 UUCJNYSXZJNSLE-UHFFFAOYSA-N 231.251 2.281 0 40 BEAB in-vitro CNC/C=C/COc1ccc(C)c(C)c1 58159023 GGXQMBWVWOTVCH-SNAWJCMRSA-N 205.301 2.458 0 40 BEAB C[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1 65604351 NEQDQLFXXVXBEL-QWRGUYRKSA-N 225.332 2.203 0 40 BEAB N[C@@H](COC(F)(F)F)c1ccccc1 68576568 LRUXMHNYRNKJEM-QMMMGPOBSA-N 205.179 2.223 0 40 BEAB Cc1ncccc1[C@@H]1CCCCN1C=O 72211320 REOQUFMRNISUMN-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB COc1ccc([C@H]2CCCCN2C(C)=O)c(C)n1 72218111 XBJPXKAGHWTVHO-CYBMUJFWSA-N 248.326 2.472 0 40 BEAB COc1ccc(CN2CCCC[C@@H]2C)cn1 72313896 IRXGWVLTFZLTMB-NSHDSACASA-N 220.316 2.465 0 40 BEAB COCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1C 77559659 HTFGYHDJXIFHMC-SRVKXCTJSA-N 242.363 2.241 0 40 BEAB COc1cccc(N(C)C(=O)C2CC2)c1 81561684 JWTABTJBROFTJJ-UHFFFAOYSA-N 205.257 2.068 0 40 BEAB C[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 82319263 HUFAIJPLJDLZBQ-NXEZZACHSA-N 213.346 2.141 0 40 BEAB CC(C)(C)Cc1noc([C@@H]2CCCCN2)n1 82673404 LMRSCXBSWYTJPQ-VIFPVBQESA-N 223.320 2.473 0 40 BEAB CCOC(=O)C(=O)c1cc(OC)ccc1Cl 83231006 UTGYNTCXTYDRCZ-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB COc1ccnc(NC(=O)c2occc2C)c1 89984376 FDKDCJKZQOXZJU-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB O=C(Nc1cccc(-c2cn[nH]c2)c1)C1CC1 90498659 LUCAWVSGCYHHGJ-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB O=C(O)c1ccc(C(=O)OCc2ccccc2)[nH]1 90623781 GAUPADLIIGDUTC-UHFFFAOYSA-N 245.234 2.070 0 40 BEAB Nc1cc(F)cc(Br)c1F 91691919 JBGGFYZUDGDHMN-UHFFFAOYSA-N 208.005 2.310 0 40 BEAB C[C@@H](C(N)=O)N1CCC(=Cc2ccccc2)CC1 95408348 KCTMONRZRFGUPB-LBPRGKRZSA-N 244.338 2.040 0 40 BEAB Oc1ccccc1-c1nc([C@H]2CCCO2)n[nH]1 95532233 IJUDGNGNQUPWGS-SNVBAGLBSA-N 231.255 2.029 0 40 BEAB O=C1CO[C@@H](c2cc(Cl)cc(Cl)c2)CN1 96096226 CPHQGJPWIFPPTQ-SECBINFHSA-N 246.093 2.181 0 40 BEAB CC[C@H](NC1CCSCC1)c1noc(C)n1 96493696 KWJCQKMBQPTQIG-JTQLQIEISA-N 241.360 2.314 0 40 BEAB CCN(C(=O)N(C)C[C@@H]1CCCCO1)C(C)C 97141727 QHBYICHUCUHFNO-LBPRGKRZSA-N 242.363 2.338 0 40 BEAB C[C@H](Cc1cccs1)C(=O)Nc1cnccn1 97146326 PAXGIVNSXIVDAF-SECBINFHSA-N 247.323 2.355 0 40 BEAB CC[C@H](N[C@H]1CCCSC1)c1noc(C)n1 97370983 PMAVAISMEZLQPN-UWVGGRQHSA-N 241.360 2.314 0 40 BEAB CCC(=O)/N=c1\sc2ccccc2n1C 100529785 APNFPNVTBGCDEV-QXMHVHEDSA-N 220.297 2.077 0 40 BEAB COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 109153624 KFESTBSZFJPKJP-JGVFFNPUSA-N 212.195 2.241 0 40 BEAB O=C(CC1CCOCC1)Nc1ccc(O)cc1 117428850 KEIJKBOAMJSHBS-UHFFFAOYSA-N 235.283 2.147 0 40 BEAB O=C(O)C[C@H](c1cccc(O)c1F)C1CC1 141621197 FMFLDERDVTYQME-VIFPVBQESA-N 224.231 2.500 0 40 BEAB Brc1cnnc2ccccc12 141674967 WATZHFGXQWYUJM-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB C[C@@H]1CCCCN1C(=O)NO[C@@H]1CCCCO1 166917402 BYVAZLWJPPJEBV-GHMZBOCLSA-N 242.319 2.029 0 40 BEAB O=C1OCC(O)=C1c1ccc(Cl)cc1 217080724 UYPDVVUCYUYANE-UHFFFAOYSA-N 210.616 2.166 0 40 BEAB COC[C@@H]1CCCN(CCOCC(C)C)C1 225426795 DRXSIQIODUZGEH-CYBMUJFWSA-N 229.364 2.017 0 40 BEAB Fc1ccccc1N1CCN[C@H]2CCC[C@@H]21 225716881 GLTPNMWLBDHGSZ-AAEUAGOBSA-N 220.291 2.156 0 40 BEAB O=C1NC2(CCCCC2)OC12CCCCC2 1665376 SXFCNPQIZDTDMR-UHFFFAOYSA-N 223.316 2.496 0 40 BEAB O=S1(=O)C(Br)=Cc2ccccc21 1672898 GSNSVTOQAJSJSG-UHFFFAOYSA-N 245.097 2.167 0 40 BEAB C/C=C/C(=O)OCC(=O)Nc1ccccc1C 3389982 VCEHIAKRQXKEHZ-ZZXKWVIFSA-N 233.267 2.053 0 40 BEAB N=c1nc(Oc2ccccc2)ss1 6829611 PJGWGKVMGAYHDG-UHFFFAOYSA-N 210.283 2.476 0 40 BEAB OCc1ccccc1C[C@H](O)c1ccccc1 8619228 RFLMOIAJQWNMMD-HNNXBMFYSA-N 228.291 2.455 0 40 BEAB CC(C)(CNc1ccc(F)cc1)C(=O)O 8730702 DQLOBLTUZFEXHN-UHFFFAOYSA-N 211.236 2.348 0 40 BEAB Cc1ccc(/C=C2/SC(=O)NC2=O)cc1 12409473 VUXDSWRSGDQYRJ-RMKNXTFCSA-N 219.265 2.319 0 40 BEAB Cc1cc(C(F)(F)F)cc(SCCO)n1 13234332 RQZLNKRENUYFHU-UHFFFAOYSA-N 237.246 2.493 0 40 BEAB Cc1cc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 19566695 DTWHVABTAVGVOX-TUAOUCFPSA-N 247.342 2.161 0 40 BEAB Cc1[nH]c2c(C(=O)N(C)C)cccc2c1C 24642990 RJSGAOOBGJTIIQ-UHFFFAOYSA-N 216.284 2.487 0 40 BEAB C[C@@H](N(C)C(=O)[C@H]1CCCO1)C(C)(C)C 32788082 UOAHSSYILILMGF-NXEZZACHSA-N 213.321 2.058 0 40 BEAB C[C@H]1CCCN(C(=O)CCc2ccco2)C1 32873656 JXHREVOMJPSJNB-NSHDSACASA-N 221.300 2.471 0 40 BEAB N[C@H]1C[C@@H]1c1ccccc1Br 37381670 AMHNTDLMRMXDEC-APPZFPTMSA-N 212.090 2.264 0 40 BEAB Cc1c(C(=O)O)cnn1-c1ccc(F)c(F)c1 38478426 ZPUYQNXDSDQEHK-UHFFFAOYSA-N 238.193 2.157 0 40 BEAB COC(=O)CCC(=O)Nc1ccc(C)c(F)c1 40023619 OOGKVPGFZRMEKY-UHFFFAOYSA-N 239.246 2.026 0 40 BEAB CCOc1cccc(C(=O)Nc2cc(C)n[nH]2)c1 48698352 YKUNTFRQLCNEJB-UHFFFAOYSA-N 245.282 2.369 0 40 BEAB O=C(O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 62720151 DYBOZKSUIBJLJN-WDSKDSINSA-N 216.158 2.292 0 40 BEAB in-vitro Fc1ccc(CN2CCCN3CCC[C@@H]3C2)cc1 65564103 SLNRALGSUVGXJH-OAHLLOKOSA-N 248.345 2.496 0 40 BEAB O[C@H]1CCN(c2ccc(Br)cc2)C1 72206480 VXAGQCJOIGKVLU-JTQLQIEISA-N 242.116 2.020 0 40 BEAB in-vitro COc1ncc([C@H](O)c2ccccc2)cc1C 72221942 KSSBRAUGIWMKGP-CYBMUJFWSA-N 229.279 2.480 0 40 BEAB CN(c1ccccc1)c1ccc(CCO)cn1 72225336 JNYLYQJBQBKYNI-UHFFFAOYSA-N 228.295 2.384 0 40 BEAB O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CC1 74829946 DWUJBVCHEFYQMO-UHFFFAOYSA-N 227.267 2.425 0 40 BEAB CN(Cc1ccccc1)C(=O)c1cncc(O)c1 82306490 OTYORUWDVCXQIN-UHFFFAOYSA-N 242.278 2.059 0 40 BEAB CC(C)CN(CCn1cncn1)CC(C)(C)C 84544219 QUJOQFDKBSCCCD-UHFFFAOYSA-N 238.379 2.282 0 40 BEAB O=C(O)c1ccc(NC(=O)C2CC=CC2)cc1 85159579 UBJPWCMTAWWJLH-UHFFFAOYSA-N 231.251 2.290 0 40 BEAB COCCn1c(C(=O)O)cc2ccsc21 96516318 WPXMWPXRUISMLD-UHFFFAOYSA-N 225.269 2.047 0 40 BEAB CC[C@@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97016581 IDBRGSVLGCFHIA-ZOBORPQBSA-N 223.360 2.482 0 40 BEAB CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CNC2 105641727 COJNHDCEWDUHMX-ZWNOBZJWSA-N 240.347 2.043 0 40 BEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCC1CC1 110567780 OPAFUGLDNDUAPN-SRVKXCTJSA-N 207.317 2.339 0 40 BEAB COC(=O)c1ncoc1-c1cccc(F)c1 196052217 ZNYMHYWJLOIHFD-UHFFFAOYSA-N 221.187 2.267 0 40 BEAB c1ccc(CCN2CCN[C@H]3CCCC[C@@H]32)cc1 225711866 WBKROPMTWHKBDJ-HOTGVXAUSA-N 244.382 2.446 0 40 BEAB FC(F)(F)c1ccnc(N2CCSCC2)n1 253473023 RBEZKISLYHPLLG-UHFFFAOYSA-N 249.261 2.049 0 40 BEAB O[C@H]1CC[C@H]1Nc1cccc(C(F)(F)F)n1 585298587 XSVVXFORXOYZSB-RQJHMYQMSA-N 232.205 2.036 0 40 BEAB Nc1ccc2nccc(OC3CCOCC3)c2c1 685937788 RIOGKAAHLPFWJF-UHFFFAOYSA-N 244.294 2.375 0 40 BEAB N=C(NO)c1cc(Cl)c(O)cc1Cl 1083802312 NKLKMELKAPCHDE-UHFFFAOYSA-N 221.043 2.003 0 40 BEAB C[C@H](F)COC(OC[C@H](C)F)OC[C@@H](C)F 1083808030 VWOCFXWMMFWYDE-XHNCKOQMSA-N 244.253 2.394 0 40 BEAB COc1ccc(C)cc1NC(=O)[C@H]1CCCO1 1466453 MFKOLTMRWOPOMZ-GFCCVEGCSA-N 235.283 2.121 0 40 BEAB O=C(O)c1ccc([C@@H]2CCCC[C@@H]2O)cc1 1748067 MNOUEENIDCJOOZ-RYUDHWBXSA-N 220.268 2.403 0 40 BEAB CCCCc1ccc2c(N)c(C(N)=O)sc2n1 2300525 LZLDKSOEKVHFIT-UHFFFAOYSA-N 249.339 2.320 0 40 BEAB OCc1cccc(CN2CCCCC2)c1 4277401 NZKXLHGCZWDXGE-UHFFFAOYSA-N 205.301 2.165 0 40 BEAB in-vitro COc1ccc(CSC(=N)N)cc1C 4981281 HMKPNYLCMCIPRT-UHFFFAOYSA-N 210.302 2.130 0 40 BEAB Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C 5385961 AZMIQWBIOIXHOS-UHFFFAOYSA-N 216.284 2.211 0 40 BEAB COc1ccc(CN2CC[n+]3ccccc32)cc1 6793573 JEFDYQRIBGMLPZ-UHFFFAOYSA-N 241.314 2.003 0 40 BEAB in-vitro CC(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 8447127 KGJZGHHOKMIDIM-LLVKDONJSA-N 249.310 2.181 0 40 BEAB CC(C)CCOc1ccc(C(N)=O)cc1 8560501 HWEZJVXVIUZXAM-UHFFFAOYSA-N 207.273 2.210 0 40 BEAB OCc1nc2cc(Cl)c(Cl)cc2[nH]1 11735014 GOUGSJWBRLTBDO-UHFFFAOYSA-N 217.055 2.362 0 40 BEAB in-vitro CC[C@H](Cc1ccc(OC)cc1OC)C(=O)O 11976942 VAYMULOIIFDMSY-SECBINFHSA-N 238.283 2.357 0 40 BEAB COc1ccc(/C=C2\C=CC(=O)O2)c(OC)c1 12341808 CQBBPWXUGMCEPP-YRNVUSSQSA-N 232.235 2.158 0 40 BEAB Cc1ccc(C(=O)NCc2cccnc2)cc1F 12536752 XHHZGNWVZDRHRJ-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB CCCCCSc1nc(C)cc(=O)[nH]1 12649711 YMFAUNHOMXJMSF-UHFFFAOYSA-N 212.318 2.361 0 40 BEAB COc1ccc2nc(NC#N)sc2c1 13638849 CSCOQOBBBBUHNQ-UHFFFAOYSA-N 205.242 2.198 0 40 BEAB Cc1ccc(N[C@@H]2C[C@@H](C)NC(S)=N2)cc1 13686446 DTYOZCJJILFVHX-KOLCDFICSA-N 235.356 2.401 0 40 BEAB Cc1cc(NC(=O)c2cccc(F)c2)nc(C)n1 16283497 CUAVVXBXIFOTRH-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB COc1ccc(/C=C\C=C\C(=O)O)cc1OC 17156624 JRKSVIUQRJEQDF-CIIODKQPSA-N 234.251 2.358 0 40 BEAB COC(=O)c1ccc(N)c2ccccc12 19801358 LBYWWJUIABXSBG-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB in-vitro CC(C)NC(=O)c1ccc(Cl)cc1N 20156115 DDUFHCYDQKMFQD-UHFFFAOYSA-N 212.680 2.060 0 40 BEAB in-vitro Cc1nc(N(C)c2ccccc2)sc1C(N)=O 22237594 GOONVBWKXINPFN-UHFFFAOYSA-N 247.323 2.318 0 40 BEAB CCC[C@@H](C(=O)OC)N1C[C@@H](C)C[C@@H](C)C1 22538681 NPBBRGNFLTWNPV-TUAOUCFPSA-N 227.348 2.306 0 40 BEAB O=C(Nc1ccc(F)cc1F)C1CCOCC1 24635992 XDQTZXVTKUFACY-UHFFFAOYSA-N 241.237 2.330 0 40 BEAB Cc1cccc(CNC(=O)c2cccnc2)c1 26019814 PBAAAEBFGCASSJ-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1 26781756 GEYOICCKNWSVAB-ZIAGYGMSSA-N 249.354 2.301 0 40 BEAB c1ccc2c(c1)CCC[C@@H](N1CCOCC1)C2 31688597 YXHVRKMBBILLSE-OAHLLOKOSA-N 231.339 2.266 0 40 BEAB CC[C@H]1CCCCN1C(=O)[C@H](C)n1cccn1 32765524 HCKLXEZRWMDWCU-RYUDHWBXSA-N 235.331 2.235 0 40 BEAB CSCCC(=O)N1CCc2ccccc21 32999926 KZQIVVCLTBNWLB-UHFFFAOYSA-N 221.325 2.329 0 40 BEAB Nc1cnn(-c2cccc(Br)c2)c1 35778858 OTKDCIGLWFHVKQ-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB Cc1ccccc1CN[C@H](C)CN1CCCC1=O 37782235 RBNCZVLCPORPRY-CYBMUJFWSA-N 246.354 2.096 0 40 BEAB Clc1ccccc1CNC1CCNCC1 38040532 YOGAWZGIPCTFTR-UHFFFAOYSA-N 224.735 2.182 0 40 BEAB CCc1sc(C(=O)N2CCOCC2)cc1C 40460729 QKWXJWDBTLZTGV-UHFFFAOYSA-N 239.340 2.091 0 40 BEAB CC(C)=CC(=O)N(C)Cc1ccncc1 47632618 QTYDVROYINSLDZ-UHFFFAOYSA-N 204.273 2.006 0 40 BEAB CCOc1ccccc1NCc1ncc[nH]1 49714482 ODRLTEWUHMXUJJ-UHFFFAOYSA-N 217.272 2.421 0 40 BEAB CCOC(=O)c1ccc(C)c(C)c1OC 57339686 JTHAPPMQSOWPKH-UHFFFAOYSA-N 208.257 2.489 0 40 BEAB O=C1NCCC[C@@H]1c1ccc(Cl)cc1 57496076 SFIVSBGXIKWBOX-SNVBAGLBSA-N 209.676 2.334 0 40 BEAB C[C@@H]1CN(c2cccc3cnccc23)CCN1 61123540 CRWCGRCOXPDTBA-LLVKDONJSA-N 227.311 2.033 0 40 BEAB in-vitro CCOc1ccc([C@H](CNC)OCC)cc1 62711551 ANKDXIJKQSGIHK-ZDUSSCGKSA-N 223.316 2.382 0 40 BEAB CCc1noc(CN(C)[C@@H](C)CC(C)C)n1 69419911 NKVXTZJUPHYACE-JTQLQIEISA-N 225.336 2.498 0 40 BEAB CCOC(=O)c1cc2c(N)cccc2o1 71256400 WOSPUKYEMNTNTN-UHFFFAOYSA-N 205.213 2.192 0 40 BEAB COc1ccc(Br)cc1C1(N)CC1 71551271 MJOODNWFDYMBOT-UHFFFAOYSA-N 242.116 2.406 0 40 BEAB CNc1cc(C)c([C@@H](N)c2ccccc2)cn1 72223067 BLWYEBPBLPGCDB-AWEZNQCLSA-N 227.311 2.480 0 40 BEAB O=C1C[C@@H](c2ccccc2)SC(=O)N1 72397724 RYUNWBGPJCWGPJ-QMMMGPOBSA-N 207.254 2.101 0 40 BEAB CCN(Cc1ccccc1)C(=O)c1c[nH]cn1 74673857 BXKVOYAEAOGWMF-UHFFFAOYSA-N 229.283 2.072 0 40 BEAB Nc1ccccc1-c1nnc([C@H]2CCCO2)o1 85386218 MMWKGNOYQKKOQY-SNVBAGLBSA-N 231.255 2.170 0 40 BEAB O=C(O)c1cc(=O)c2cccc(Cl)c2o1 95775413 ISZWNLKXEBIAIJ-UHFFFAOYSA-N 224.599 2.145 0 40 BEAB CC(C)N1[C@H]2CC[C@@H]1CC(N)(C(F)(F)F)C2 96528064 UWSROLMXPJISLZ-ULKQDVFKSA-N 236.281 2.281 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1C[C@@]12CCCOC2 98213867 QFLHGDYACTVNSW-BXKDBHETSA-N 227.304 2.080 0 40 BEAB Cc1nc(C)c(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)o1 102036214 OZLBVOGJMVJMBC-NXEZZACHSA-N 234.299 2.019 0 40 BEAB O=Cc1ccc(C2(C(F)(F)F)N=N2)cc1O 163998808 BHQFZXNSVZPFNH-UHFFFAOYSA-N 230.145 2.386 0 40 BEAB CCNC(=O)c1ccc(NC(C)(C)C)c(N)c1 213302619 ZYJFAUHZBQXBBL-UHFFFAOYSA-N 235.331 2.229 0 40 BEAB Cc1ccc(N[C@@H]2CCC[C@@H]2N)c(F)c1 218884455 BWUPPTTVUKAZBA-CMPLNLGQSA-N 208.280 2.426 0 40 BEAB OCc1nc(-c2ccccc2)n2c1CCCC2 225746807 WTBPVJHAIKGDPQ-UHFFFAOYSA-N 228.295 2.379 0 40 BEAB C=CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]12 263584533 VTUJVKUOIFFTME-ZZZDWPBISA-N 204.269 2.316 0 40 BEAB CC[C@@H](C)C1=NN(c2ncccc2F)C(=O)C1 634605677 SZQOXUJRORMNAK-MRVPVSSYSA-N 235.262 2.360 0 40 BEAB CCOC(=O)c1c[nH]c2c(F)cccc12 725239651 ZYXKHAAMHKPHJL-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB Cc1nccn1-c1ncnc2cc(F)ccc12 1775965536 BXLCNUNFJCCJTK-UHFFFAOYSA-N 228.230 2.263 0 40 BEAB CCc1nc(-c2ccc(C)nc2OC)no1 498640 JRBRCCYOJOUEBP-UHFFFAOYSA-N 219.244 2.011 0 40 BEAB C1=CCc2cc3c(cc2=C1)C=c1ccccc1=3 1580982 JWYVGDUJUCCJGV-UHFFFAOYSA-N 216.283 2.009 0 40 BEAB CN(C)CCN(c1ccccn1)c1ccccn1 1602377 AEVXEHJXDBSFHO-UHFFFAOYSA-N 242.326 2.176 0 40 BEAB in-vitro NC(=O)Nc1ccc2c(c1)[C@H](O)c1ccccc1-2 1710710 ZUXPTCYOPAAOLB-CYBMUJFWSA-N 240.262 2.239 0 40 BEAB Nc1nc(-c2cccs2)c(CC(=O)O)s1 1782902 DSGCQCIYLMWRBL-UHFFFAOYSA-N 240.309 2.081 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CO)C1 2518242 LBJSEPNOVVUVJA-UWVGGRQHSA-N 229.320 2.062 0 40 BEAB CCOC(=O)c1[nH]c2cccc(F)c2c1C=O 3679814 UFNWCHXVWSJHNW-UHFFFAOYSA-N 235.214 2.296 0 40 BEAB Cc1ccnc(NC(=O)[C@H](F)C(F)(F)F)c1 4852123 BSBZAQJYMONKJE-ZETCQYMHSA-N 236.168 2.229 0 40 BEAB COc1ccc(CNCc2cccn2C)cc1 5019545 RWYRUOOVJUZQTD-UHFFFAOYSA-N 230.311 2.324 0 40 BEAB O=C1CCCC(=O)N1c1cccc(Cl)c1 5671166 HZPMYMPKDNKRFL-UHFFFAOYSA-N 223.659 2.384 0 40 BEAB CC(=O)[C@@](C)(CCN(C)C)c1ccccc1 5883655 MSAVGSNUZXCEJN-CQSZACIVSA-N 219.328 2.485 0 40 BEAB Cn1nc(-c2ccc(Cl)cc2)c(C=O)c1N 5886630 VTZKDDAKYHOYFG-UHFFFAOYSA-N 235.674 2.135 0 40 BEAB Nc1ccccc1OCc1cccnc1 12375623 NISBBHHUQZRGQA-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB in-vitro c1ccc(CCNCc2cccs2)nc1 19916467 APEACHBNZNBVMA-UHFFFAOYSA-N 218.325 2.475 0 40 BEAB CNC(=O)c1cccc(NCc2ccccn2)c1 20124734 XOUYOUNZTXPIDA-UHFFFAOYSA-N 241.294 2.053 0 40 BEAB CCN1CCC[C@H](Oc2ccccc2N)C1 20351894 PYOLIBDAFLUYTO-NSHDSACASA-N 220.316 2.132 0 40 BEAB COc1ccc(SCC(=O)NC2CC2)cc1 20457847 QIZPXRVUQINTBE-UHFFFAOYSA-N 237.324 2.066 0 40 BEAB Cc1ccc(NC(=O)Nc2ccn(C)n2)cc1 27915686 PMHDZLXOCUGZPK-UHFFFAOYSA-N 230.271 2.373 0 40 BEAB CCCCNC(=O)c1nn(CC)cc1Cl 28222688 OSGKLBGRLDECFK-UHFFFAOYSA-N 229.711 2.086 0 40 BEAB Cc1ccc2[nH]c(C(=O)NC3CC3)cc2c1 29518584 JDHLSAFLHLWBGP-UHFFFAOYSA-N 214.268 2.369 0 40 BEAB Oc1cccc2c1C(O)c1c(O)cccc1C2 30836048 MJNDODSUNFUGOI-UHFFFAOYSA-N 228.247 2.084 0 40 BEAB COc1ccc2c(c1)[nH]c1c(C(=O)O)nccc12 34929345 DWNZWHKHMKQWFS-UHFFFAOYSA-N 242.234 2.423 0 40 BEAB COc1cccc([C@@H](N)c2ccccn2)c1 37466295 OPWJTMNXFGQJRI-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB CNC(=O)c1cccnc1Oc1ccccc1 39225850 HTFKHYMCBKIRBU-UHFFFAOYSA-N 228.251 2.234 0 40 BEAB NNc1cccc(Oc2ccccc2)n1 39957373 JLMXCMXCEFCULT-UHFFFAOYSA-N 201.229 2.160 0 40 BEAB CC(C)=CC(=O)NCCc1cccs1 40161016 BAIGCPRFARLKBX-UHFFFAOYSA-N 209.314 2.373 0 40 BEAB COC1CCN(C(=O)Nc2ccccc2)CC1 53897993 IOIIANBRVPANDA-UHFFFAOYSA-N 234.299 2.329 0 40 BEAB O=C(NC1CCCCC1)[C@H]1Cc2ccccc2O1 57529541 ZFKUVDSQMJMFOW-CQSZACIVSA-N 245.322 2.439 0 40 BEAB CCCC(=O)N1CCC(CCOC)CC1 65180928 KHWAGNXMKRNRLX-UHFFFAOYSA-N 213.321 2.062 0 40 BEAB CC(C)c1cc(C(=O)N(C)[C@@H](C)C2CC2)n[nH]1 71947715 BWRGKZRKQTWGEW-VIFPVBQESA-N 235.331 2.404 0 40 BEAB CCCN(CCC)c1ccc(CCO)cn1 72225291 SQDVDYGSBXANEP-UHFFFAOYSA-N 222.332 2.243 0 40 BEAB O=C(c1ccccn1)N1CC[C@@H]2CCCC[C@@H]21 89878932 XGWAGNPPXBGYFK-AAEUAGOBSA-N 230.311 2.486 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1NC1CCCCC1 89919257 IKLVLXQEMRZBLA-STQMWFEESA-N 211.349 2.460 0 40 BEAB C[C@@H]1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 91304385 KHAUJGIQMJDINW-BDAKNGLRSA-N 243.303 2.249 0 40 BEAB NC1(c2cccc(C(F)(F)F)c2)CCNCC1 96029461 HBJVTJRZTBYOLA-UHFFFAOYSA-N 244.260 2.243 0 40 BEAB CN1CCN(Cc2ccco2)Cc2cccnc21 96198777 RQEIEFUDWJXRBL-UHFFFAOYSA-N 243.310 2.127 0 40 BEAB Oc1nc(C(F)(F)F)nc2c(F)cccc12 96345692 JLHKKOVPARGDMY-UHFFFAOYSA-N 232.136 2.493 0 40 BEAB C[C@H]1CC[C@H]1COc1ccc(C(=O)O)cn1 96526340 JUJIAYNGADBWRB-WPRPVWTQSA-N 221.256 2.205 0 40 BEAB O=c1[nH]c2cc(Br)c(F)cc2o1 97053870 FODNOVDORFCKAO-UHFFFAOYSA-N 232.008 2.023 0 40 BEAB in-vitro CCN(C)C(=O)CCN[C@@H](C)c1ccc(C)o1 97111297 LVVDHDZPIMTZIK-NSHDSACASA-N 238.331 2.107 0 40 BEAB CCn1ccnc1SCCCn1ccnc1 97114225 AZMYJWUTHFICKG-UHFFFAOYSA-N 236.344 2.282 0 40 BEAB O=C(NCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OCc2ccccc2F)cc1 97371179 TZJJGGROGAAINY-UHFFFAOYSA-N 436.439 3.431 0 40 BEAB C[C@H]1CC[C@H](NCCc2ccnn2C)C[C@@H]1C 97380128 YRFQWWUPZJCZGW-AVGNSLFASA-N 235.375 2.377 0 40 BEAB c1ccc(CN2CCN[C@H]3CCCC[C@H]32)cc1 108363584 VQTUQZIOKKIGLU-LSDHHAIUSA-N 230.355 2.403 0 40 BEAB in-vitro Cc1nc(CN[C@H](C)CCn2cccn2)oc1C 195573544 KEHMRIUZZTZFDJ-SNVBAGLBSA-N 248.330 2.056 0 40 BEAB Cc1cc(NCCCC(=O)O)cc(C)c1N 223773395 HVENKVVNBOKXFV-UHFFFAOYSA-N 222.288 2.162 0 40 BEAB CCOC(=O)/C=C/Cc1ccc(F)cc1 228961739 OJXVBCAJRVASRF-HWKANZROSA-N 208.232 2.488 0 40 BEAB CC(C)n1nccc1NCc1cccn1C 256052088 LWTWXTDVZMVTHI-UHFFFAOYSA-N 218.304 2.415 0 40 BEAB c1ccc([C@@H]2CO[C@]3(CCCNC3)C2)cc1 306125780 DBXZIYYRNBVLBF-UONOGXRCSA-N 217.312 2.313 0 40 BEAB CC[C@@H](C)OCc1ccnn1CC(F)F 408717192 WTAWKNUQADMRMT-MRVPVSSYSA-N 218.247 2.463 0 40 BEAB CCOC[C@H]1CO[C@H](c2ccccc2)O1 1676078 FQZXEIINCWCJOF-RYUDHWBXSA-N 208.257 2.137 0 40 BEAB O=P1(c2ccccc2)N[C@@H]2CCCC[C@H]2N1 1716354 ZLMVSVNPXVVJFU-VXGBXAGGSA-N 236.255 2.009 0 40 BEAB CCN(Cc1nc(-c2ccccc2)no1)C(C)=O 4943576 JHPPHOJRLZSBSR-UHFFFAOYSA-N 245.282 2.105 0 40 BEAB C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 5264204 KZPBEDTXPQBHPX-JTQLQIEISA-N 243.310 2.435 0 40 BEAB Fc1ccc(CO[C@H]2CCCNC2)cc1 14631599 HHIHAEIWKSVRHP-LBPRGKRZSA-N 209.264 2.094 0 40 BEAB O=C(O)c1[nH]c(=O)c(Cl)c(Cl)c1Cl 14983655 WTPUPXKVBBLQOQ-UHFFFAOYSA-N 242.445 2.033 0 40 BEAB in-vitro C[C@@H]1SC2=Nc3ccccc3CN2C1=O 16608216 YJKCTIYJWWNYND-ZETCQYMHSA-N 218.281 2.152 0 40 BEAB CC[C@@H](c1ccccc1)c1nnc(N)o1 19398966 USVJJRSFMVOUOL-VIFPVBQESA-N 203.245 2.194 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)O 19423815 KHXCNDVMASKGJY-POYBYMJQSA-N 237.230 2.118 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CC1CCNCC1 19802634 XDSSDQSDZIGONV-VXGBXAGGSA-N 238.375 2.166 0 40 BEAB COC[C@H](C)N[C@@H]1CCc2ccccc21 19904698 KSJZQTRNAXEHLG-GXFFZTMASA-N 205.301 2.298 0 40 BEAB CC(C)N1CCC(NCc2ccco2)CC1 21954969 MAKBBENPGYHNFS-UHFFFAOYSA-N 222.332 2.242 0 40 BEAB CC(C)(C)OC(=O)N[C@H](CCO)C(C)(C)C 32099043 GWNITSXTIFUCSM-SECBINFHSA-N 231.336 2.308 0 40 BEAB in-vitro C[C@]1(C(=O)NCC2CCC2)CC1(Cl)Cl 36391355 WKCAYBFXMQZNHU-SECBINFHSA-N 236.142 2.487 0 40 BEAB N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 37240701 JESYTMXMXNUFCV-SECBINFHSA-N 230.233 2.243 0 40 BEAB in-vitro COC(=O)c1c(N)cc(Cl)cc1Cl 37475297 HPOHZHUZBACNRH-UHFFFAOYSA-N 220.055 2.362 0 40 BEAB world CC(C)(C)c1cccc2c1NC(=O)C2=O 39198717 PGFXVLYLDZCGJU-UHFFFAOYSA-N 203.241 2.119 0 40 BEAB in-vitro CC(C)CCC(=O)NCc1cccnc1N(C)C 40525144 ZTFRHRLDFTXKDV-UHFFFAOYSA-N 249.358 2.200 0 40 BEAB COc1cccc(-c2ccc(C(=O)O)[nH]2)c1 41229532 URBIPDRCIKSANY-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB CC(=O)N1C[C@H](C)O[C@H](c2ccc(C)cc2)C1 41422254 UNSUUAYHBGLISC-FZMZJTMJSA-N 233.311 2.303 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCCCC1 42467298 MFYGDKMNUGEWDA-LLVKDONJSA-N 213.321 2.060 0 40 BEAB Cn1cc(NC(=O)Nc2ccccc2F)cn1 48051345 JJNOKXZMMAUPED-UHFFFAOYSA-N 234.234 2.203 0 40 BEAB COCCNC(=O)Nc1ccc(Cl)c(F)c1 48478469 OPRHEPPOIANXPC-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB Cc1nc(C(F)(F)F)sc1CC(=O)O 49819882 GXXZOSIYNGEOMY-UHFFFAOYSA-N 225.191 2.097 0 40 BEAB CN(Cc1cccc(N)c1)CC1CCOCC1 52173195 IWGOBGOKSDCAMP-UHFFFAOYSA-N 234.343 2.127 0 40 BEAB COCCn1c(C)c(C)c2cc(C(N)=O)ccc21 69520198 KYKIQRRFWOLYAH-UHFFFAOYSA-N 246.310 2.003 0 40 BEAB Cn1cnnc1C1CCN(C2CCCCC2)CC1 72187562 WARATVKFJXBVFQ-UHFFFAOYSA-N 248.374 2.327 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C)C)nc1 72212630 SCQLRCKTBMZFBX-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB CC(=O)Nc1c(C(=O)O)cnc2ccc(F)cc12 72219712 JTJUZFAMFGQWLD-UHFFFAOYSA-N 248.213 2.031 0 40 BEAB COC[C@@H](OC)c1ccc(C(C)=O)cc1 72219875 DKRTZLOHBZWRJM-GFCCVEGCSA-N 208.257 2.223 0 40 BEAB Cc1nc(N)ccc1[C@@H](N)c1ccccc1 72224133 QMSJRVYJNRXZSU-ZDUSSCGKSA-N 213.284 2.020 0 40 BEAB c1cc([C@H]2CCCN2)nc(N2CCCC2)c1 72386371 JEJBLVBYRAJKON-LLVKDONJSA-N 217.316 2.106 0 40 BEAB O=C(O)C1CC(Cc2ccc3c(c2)OCO3)C1 84039807 FYDIOXAKIJGBLA-UHFFFAOYSA-N 234.251 2.069 0 40 BEAB Nc1cncnc1NC1CCCCCC1 86919318 BCEZERSOSVXIRN-UHFFFAOYSA-N 206.293 2.194 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CCCN[C@@H]2C)c(C)c1 91496549 PDSPYQIDOYNZSL-OCCSQVGLSA-N 246.354 2.174 0 40 BEAB CC[C@@H](C)N(C)c1cc(C)nc(COC)n1 95411582 ITVPVGHXORIGKM-SNVBAGLBSA-N 223.320 2.166 0 40 BEAB CC(C)(C)OC(=O)N1CCc2ccncc2C1 95635244 YSBUHVVKNBTNOD-UHFFFAOYSA-N 234.299 2.375 0 40 BEAB in-vitro CCOC(=O)[C@H]1CCc2sc(C)nc21 95919681 QHNVVPXKGDMSNM-ZETCQYMHSA-N 211.286 2.044 0 40 BEAB CC(C)[C@@H](O)CCNc1nc2ccccc2[nH]1 95977449 FFVNMAXWCPJVHM-LBPRGKRZSA-N 233.315 2.382 0 40 BEAB Cc1ccc(Br)c2nn[nH]c12 101254172 FHMSZTDANWCLEB-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB COC(=N)c1nc(C(F)(F)F)n2ccccc12 225745412 HBDXEIBBJLXTCX-UHFFFAOYSA-N 243.188 2.325 0 40 BEAB CC(C)Cn1ccc(CNCc2ccco2)n1 256051253 IKNZPNPSNGECAZ-UHFFFAOYSA-N 233.315 2.422 0 40 BEAB c1ccc2c(O[C@@H]3CCOC3)nccc2c1 585652521 OZRUDBRSHQOWTO-LLVKDONJSA-N 215.252 2.403 0 40 BEAB O=C(O)C[C@@H](n1cc(Cl)cn1)C(F)(F)F 685936663 OLSIWIYANZWHBU-RXMQYKEDSA-N 242.584 2.115 0 40 BEAB O=C(O)c1c(F)cc(OCC(F)F)cc1F 1776010721 IMFORSFPFNWVMF-UHFFFAOYSA-N 238.136 2.307 0 40 BEAB COc1cc2c(cc1N)-c1ccc(N)cc1C2 406322 NRNGVOUKSIZFDR-UHFFFAOYSA-N 226.279 2.431 0 40 BEAB CCc1ccccc1NC(=O)[C@H]1CCCO1 1480329 PDJPGHWLMPBBMV-GFCCVEGCSA-N 219.284 2.367 0 40 BEAB Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1 1597168 GEDIWDLJKRKBFT-UHFFFAOYSA-N 245.282 2.241 0 40 BEAB in-vitro Cc1sc(NN)nc1-c1ccccc1 2585762 UGSXBHGKPPJJGZ-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB CCCNC(=O)Nc1ccc2nccnc2c1 6891018 FKAVORCIYLDSQE-UHFFFAOYSA-N 230.271 2.161 0 40 BEAB Cc1nnc(NC(=O)c2ccc(F)cc2)s1 8856370 DXFYIRYRFDCQBZ-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB CCn1nccc1NC(=O)c1ccccc1 12062591 MHJGWSQDVJSWIR-UHFFFAOYSA-N 215.256 2.155 0 40 BEAB C[C@H]1CN(c2nc3ccccc3o2)C[C@@H](C)O1 12936338 YQNNYXSTVAYHMT-AOOOYVTPSA-N 232.283 2.441 0 40 BEAB O=C(NCCc1ccccc1F)c1cccnc1 12976848 SEONKVQRCBZYEZ-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB CCOC(=O)c1cn(C)c2ccccc12 14517090 IBJWUHMVFHWYQO-UHFFFAOYSA-N 203.241 2.355 0 40 BEAB Nc1cccc(OCC(=O)NC2CCCCC2)c1 19816812 UFGIQENUWYWQSB-UHFFFAOYSA-N 248.326 2.097 0 40 BEAB Nc1nc(-c2cccc3ccccc23)cc(=O)[nH]1 20534022 MFWUWIMILXOHQA-UHFFFAOYSA-N 237.262 2.172 0 40 BEAB CC(C)Oc1ccc(NC(N)=S)cc1 20586257 NFOHIBCWZCPLRB-UHFFFAOYSA-N 210.302 2.129 0 40 BEAB in-vitro CC(=O)c1ccc(N2CCCC2=N)cc1 26507042 METNTFGQGMEFCH-UHFFFAOYSA-N 202.257 2.467 0 40 BEAB CC(C)(C)[C@@H](O)CNCc1ccccc1 26897854 IIIQLKNDWDXXNP-LBPRGKRZSA-N 207.317 2.183 0 40 BEAB CCCn1nc(C)cc1NC(=O)c1ccccn1 32609928 WUFNKUYAQKVRHM-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB O=C(NCCCO)c1cc2ccccc2s1 35115463 ASGSELPQYSLUDU-UHFFFAOYSA-N 235.308 2.014 0 40 BEAB CN(C)[C@@H]1[C@H](N(C)C)[C@H]2CC[C@]1(C)C2(C)C 39738148 WWHMPEUSLLXFGZ-BYNQJWBRSA-N 224.392 2.303 0 40 BEAB CCN(CC)C(=O)[C@@H](C)Oc1ccc(F)cc1 42629860 OTFKYDNDTGFBBU-SNVBAGLBSA-N 239.290 2.461 0 40 BEAB OCCc1ccc(F)cc1C(F)(F)F 44379795 CSSSHEINPOXUBN-UHFFFAOYSA-N 208.154 2.379 0 40 BEAB CSCc1nc(N)nc(Nc2ccccc2)n1 47895736 NWVQHJYLBJFCJJ-UHFFFAOYSA-N 247.327 2.060 0 40 BEAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)O 49354077 RGMGHSPKOOBDDI-NXEZZACHSA-N 207.273 2.119 0 40 BEAB Cc1ccc(N)cc1OCCCCCO 51019550 IVTMPJWXBSTASL-UHFFFAOYSA-N 209.289 2.119 0 40 BEAB in-vitro CNC(=O)c1nc(-c2cccs2)oc1C 58244739 VOSUAJOHIWXIJW-UHFFFAOYSA-N 222.269 2.071 0 40 BEAB Cc1cccc(Nc2cc(Cl)nc(N)n2)n1 59916509 WSSXMCUIOTWWRE-UHFFFAOYSA-N 235.678 2.159 0 40 BEAB CNCCN1CCC2(CCCCC2)CC1 61819397 GYFCJSPVZGGJRQ-UHFFFAOYSA-N 210.365 2.252 0 40 BEAB NC[C@@]1(CO)C[C@@H]1c1ccc(Cl)c(Cl)c1 62713451 UBDQFPICMKRFMH-LDYMZIIASA-N 246.137 2.418 0 40 BEAB Cc1cccc(C2(CO)CCOCC2)c1 64874311 RGIOMJOIGLPVTJ-UHFFFAOYSA-N 206.285 2.036 0 40 BEAB CN(C)[C@H](CO)c1ccc(OC(F)(F)F)cc1 70453123 MJFVIVZSVDXRIN-SNVBAGLBSA-N 249.232 2.180 0 40 BEAB Cc1cccc(CCNC(=O)N2CCCC2)c1 72056449 WDFMZBGPHOLLLW-UHFFFAOYSA-N 232.327 2.343 0 40 BEAB COc1cc(C(=O)O)nn1-c1ccc(C)cc1C 72209298 UTYVXJNYOFMOSR-UHFFFAOYSA-N 246.266 2.196 0 40 BEAB Cc1cc(C)c2cc3c(nc2c1)OCCNC3 72373423 UDHJEWBDDDGFBW-UHFFFAOYSA-N 228.295 2.334 0 40 BEAB O=C(Nc1cccnc1)N(CC(F)F)C1CC1 78544702 XUSXVZLXQFKUOP-UHFFFAOYSA-N 241.241 2.343 0 40 BEAB CCOC(=O)c1c[nH]c2ccc(O)cc12 80443114 AFDVGUDDOURIQR-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB in-vitro C1CC[C@@H](c2nnc(C3CCC3)o2)NC1 83345152 BNJKGCCCACWOQY-VIFPVBQESA-N 207.277 2.152 0 40 BEAB Nc1cnccc1-c1nc2cnccc2s1 83967758 CLGVFKADWSEAAB-UHFFFAOYSA-N 228.280 2.336 0 40 BEAB COC(=O)c1c(O)cc(O)c2ccccc12 85395465 RDFDJYUAKZJMEU-UHFFFAOYSA-N 218.208 2.038 0 40 BEAB COC(=O)c1ccc([C@H]2CCCCC2=O)nc1 85400070 SVIVTSIPVHTHJM-SNVBAGLBSA-N 233.267 2.095 0 40 BEAB CC1CC(=O)N(Cc2ccccc2F)C(=O)C1 89750932 AEFXZKYJEBABOO-UHFFFAOYSA-N 235.258 2.111 0 40 BEAB FC(F)(F)c1nc2ncnc(Cl)c2[nH]1 90495636 NRTITYXDWXJYSH-UHFFFAOYSA-N 222.557 2.025 0 40 BEAB Cc1cc2c(Br)n[nH]c2cn1 95616344 NKFFPLLFBPKILJ-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CC(=O)c1ccc(Br)nc1F 95762226 BLDBYRIGOLOWEE-UHFFFAOYSA-N 218.025 2.186 0 40 BEAB Cc1cccc([C@]2(C(=O)O)CC2(F)F)c1 96515572 VFRCSWBZBZWREG-JTQLQIEISA-N 212.195 2.356 0 40 BEAB C[C@H]1C[C@H](N(C)CC(=O)NC2CC2)CC[C@H]1C 97165335 COSFPSDXGUJKAI-NTZNESFSSA-N 238.375 2.022 0 40 BEAB FC(F)Cn1cc(NCc2ccco2)cn1 124866917 FXWLMFVYIGRNLA-UHFFFAOYSA-N 227.214 2.353 0 40 BEAB C[C@H]1C(=O)CCCN1C(=O)OCc1ccccc1 143306819 WHIVJARRXOGLFF-NSHDSACASA-N 247.294 2.377 0 40 BEAB Cc1cc(C)c(-n2nc(C(=O)O)cc2O)c(C)c1 217698849 ANWAWUZKQHXLFR-UHFFFAOYSA-N 246.266 2.201 0 40 BEAB Fc1ccc(F)c(N2CCN[C@H]3CCC[C@@H]32)c1 225717525 SKVSERVTWVFWIX-RYUDHWBXSA-N 238.281 2.296 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@H]1N3)O2 248331779 HYWWUAGPPPYSGD-VCTAVGKDSA-N 243.306 2.223 0 40 BEAB NC[C@H](C[C@@H](N)c1ccccc1)C(F)(F)F 256051007 HIWLTYLVNHJCAY-VHSXEESVSA-N 232.249 2.214 0 40 BEAB CCc1ccc(NC(=O)N2CCOCC2)cc1C 330032782 RSQIDKBQFXOYCW-UHFFFAOYSA-N 248.326 2.422 0 40 BEAB FC1(F)CCN(c2ncnc3ccccc23)C1 334816278 LUZAQOZRYZJEHC-UHFFFAOYSA-N 235.237 2.475 0 40 BEAB Cc1cc(=O)c2c(o1)[C@H](CC(C)C)CC(=O)O2 1547139313 MXRDWGIUZQHQDS-SECBINFHSA-N 236.267 2.387 0 40 BEAB biogenic Cn1cnc(-c2cc(Cl)ccc2F)n1 2362801730 OWYGTQKDWNFURC-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB Cc1ccc(NC(=O)CN2CCCCC2)cc1 31463 HHOAPBHLYNWKTL-UHFFFAOYSA-N 232.327 2.419 0 40 BEAB Br[C@]12CCCC[C@@H]1CNCC2 158433 FPUFEUQHVSBEPE-BDAKNGLRSA-N 218.138 2.304 0 40 BEAB O=Cc1c(OC[C@@H]2CO2)ccc2ccccc12 316619 BAPVEBLAKFNHGN-NSHDSACASA-N 228.247 2.430 0 40 BEAB CCOCCn1c(C)nc2ccccc21 2318248 NMYVAUGOQOQAFB-UHFFFAOYSA-N 204.273 2.381 0 40 BEAB COC(=O)[C@@H](C)Nc1c(C)cccc1C 3172335 NEOYGRJJOGVQPO-SNVBAGLBSA-N 207.273 2.277 0 40 BEAB biogenic,in-vitro CCn1c(N(C)N=O)nc2ccccc21 4725918 NMSISONGYCEKNN-UHFFFAOYSA-N 204.233 2.174 0 40 BEAB Cc1cnn(C(=O)/C=C/c2ccco2)c1 6790096 RNBWZQUHTDLAAY-SNAWJCMRSA-N 202.213 2.138 0 40 BEAB CC1=Nc2cc3[nH]c(=O)[nH]c3cc2N=C(C)C1 7260637 CZMMEFRGKPLBTB-UHFFFAOYSA-N 228.255 2.445 0 40 BEAB O=C(NCC1CC1)c1ccc(C(F)(F)F)nc1 8678686 METQXDMSZGJAFI-UHFFFAOYSA-N 244.216 2.240 0 40 BEAB O=C(COC(=O)C1CCCCC1)c1ccc[nH]1 10627226 ZXTFEHSCPQIIGH-UHFFFAOYSA-N 235.283 2.321 0 40 BEAB Nc1nnc(-c2ccc(OC(F)F)cc2)s1 19874338 RERGGAMWNHFUOP-UHFFFAOYSA-N 243.238 2.389 0 40 BEAB CC(=O)CCc1ccc(O[C@H](C)C(=O)O)cc1 22147428 GYDOYXODECNPER-SNVBAGLBSA-N 236.267 2.060 0 40 BEAB COc1ccc(OC)c(-c2nnc(S)o2)c1 26422356 QUDBODKFHNXRQP-UHFFFAOYSA-N 238.268 2.043 0 40 BEAB CC(C)N(Cc1ccccc1Cl)C(=O)CN 32090442 ILRBSILLJQXKAI-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB Cc1[nH]c(-c2ccccc2)nc1[C@@H](C)N 32629004 VFQNHMCRKRBPBK-MRVPVSSYSA-N 201.273 2.405 0 40 BEAB NCC1(c2ccccc2Br)CC1 33487071 NHHOPIJRDVTHTL-UHFFFAOYSA-N 226.117 2.439 0 40 BEAB O=C(CO)c1ccc(Cl)cc1Cl 34732053 QDLQMALYLVMPTR-UHFFFAOYSA-N 205.040 2.168 0 40 BEAB CCc1ccc(CNC(=O)c2cnccn2)s1 36392951 AEDNJCMVVCVFEU-UHFFFAOYSA-N 247.323 2.031 0 40 BEAB CN(C)[C@H](C(=O)O)c1ccccc1C(F)(F)F 37358453 WUMZFHZYIKKVEH-VIFPVBQESA-N 247.216 2.393 0 40 BEAB CN[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 37458420 AUZGIVMULMRHBJ-SECBINFHSA-N 248.109 2.427 0 40 BEAB biogenic,in-vitro O=C(NCc1ccsc1)c1ccccn1 38586125 YYDXDNMPVUELFT-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB CCOc1ccc(/C=C/C(=O)OC)cc1OC 40456785 SFYMFSUPKNCUPC-SOFGYWHQSA-N 236.267 2.280 0 40 BEAB Fc1cc(F)cc(COC[C@@H]2CCCNC2)c1 42782996 VQIFAOBXLWWHJF-SNVBAGLBSA-N 241.281 2.481 0 40 BEAB C[C@@H](S[C@H](C)c1ccc(F)cc1)C(N)=O 45090886 YREWRJBWCBBYPF-HTQZYQBOSA-N 227.304 2.494 0 40 BEAB CCn1cc2c3c(cccc31)CNCC2 45796057 ZZLSXZVZRCSFEO-UHFFFAOYSA-N 200.285 2.307 0 40 BEAB NC(=O)CC1CCN(CC2CCCCC2)CC1 48024845 BDBOYKWFSRVUFF-UHFFFAOYSA-N 238.375 2.154 0 40 BEAB c1coc(-c2noc(CN3CCCCC3)n2)c1 48311794 AGKFWWPVHIVMPA-UHFFFAOYSA-N 233.271 2.316 0 40 BEAB O=C(Nc1ncccc1O)[C@@H]1C[C@@H]1c1ccco1 49398355 FLKUXOREDIJGHN-DTWKUNHWSA-N 244.250 2.122 0 40 BEAB CC(C)N(Cc1cccnc1)C(=S)NC1CC1 66006856 OSBIKMBZAVSITD-UHFFFAOYSA-N 249.383 2.329 0 40 BEAB COc1ccc(Sc2nc(=N)s[nH]2)cc1 69763857 WNFFFONJICITAI-UHFFFAOYSA-N 239.325 2.110 0 40 BEAB in-vitro O=C1C2CCN(CC2)[C@@H]1Cc1ccccc1F 72117201 DSYKXBLWNRQMSL-CYBMUJFWSA-N 233.286 2.032 0 40 BEAB COc1cc(C)c([C@H]2CCCN2C(C)=O)cn1 72218010 VPZZOUSUCCXUKV-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB CC[C@H](N)c1ccc(N2CCCC2)nc1 72225436 QPXPXHAQPXIZNT-NSHDSACASA-N 205.305 2.092 0 40 BEAB CC(C)(C)CN1CCC[C@H](c2ccnc(N)n2)C1 72361187 GHDVTILPRXTRDS-NSHDSACASA-N 248.374 2.284 0 40 BEAB Cc1nc(-c2ccc(N)cc2Cl)no1 82533323 BANPSPAASGDSFE-UHFFFAOYSA-N 209.636 2.281 0 40 BEAB Fc1cccc2[nH]cc([C@@H]3CCNC3)c12 82927895 LBTLCUXSOAXTQM-MRVPVSSYSA-N 204.248 2.384 0 40 BEAB FC(F)COc1cccnc1Br 83454703 ZFDBNSRQNJZFIY-UHFFFAOYSA-N 238.031 2.488 0 40 BEAB O=C(c1ccncc1)N1C[C@H]2CC=CC[C@@H]2C1 89884914 FIIULBQPRHNAFY-CHWSQXEVSA-N 228.295 2.120 0 40 BEAB CC(C)(C)/C=C/C(=O)NC1(C(=O)O)CCCC1 95969640 SFLLUVMQCFSBEX-RMKNXTFCSA-N 239.315 2.102 0 40 BEAB CC(C)Cc1cc(C(=O)OCCCF)[nH]n1 96422149 SVWMZIBSZKDPAF-UHFFFAOYSA-N 228.267 2.125 0 40 BEAB CC[C@H](C(=O)c1ccccc1C)S(C)(=O)=O 96518050 ULLVNQOQJRZSNZ-LLVKDONJSA-N 240.324 2.001 0 40 BEAB CC(C)CN1CC[C@H](CNc2ccccn2)C1 97200657 HIBZCRLCPICSIH-CYBMUJFWSA-N 233.359 2.471 0 40 BEAB Cc1nc(Cn2c(C)c(C)sc2=O)cs1 98013737 JBHBPVVXMNJNDM-UHFFFAOYSA-N 240.353 2.340 0 40 BEAB CC(=O)C(Sc1ccccc1)C(C)=O 103534917 CKFBAZZEGYDMJV-UHFFFAOYSA-N 208.282 2.325 0 40 BEAB O=C(c1ccccc1)N1O[C@H]2C=C[C@H]1CC2 104214256 UDSPWWLYUFTTAW-RYUDHWBXSA-N 215.252 2.161 0 40 BEAB COc1ccc(CN2CCC([C@@H](C)N)CC2)cc1 107957716 SZZHVVLUWPTVSE-GFCCVEGCSA-N 248.370 2.254 0 40 BEAB CCCn1cc(CNc2cnn(CC)c2)cn1 121887468 YZQYVWMEAZWOHM-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB Nc1cccc(F)c1OCC(F)(F)F 124075444 SXHURUGIWYJCRA-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB COc1cccc(C[C@H](OC(C)C)C(=O)O)c1 225100833 MMMWVPATEZXLNV-LBPRGKRZSA-N 238.283 2.116 0 40 BEAB CC[C@H](C)NC(=S)Nc1ccncc1 225178089 VYDFUGXHDVBHOR-QMMMGPOBSA-N 209.318 2.167 0 40 BEAB Cc1c(F)cccc1N1CCN[C@H]2CCC[C@@H]21 225717485 QINLAUWQAQYXRC-JSGCOSHPSA-N 234.318 2.465 0 40 BEAB COC(=O)Cc1c(Cl)nc2sc(C)cn12 256053058 PUWDAIDZNQNKHP-UHFFFAOYSA-N 244.703 2.073 0 40 BEAB CON(C)C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 725384997 QHMOQEAEMGYPCU-LNFKQOIKSA-N 225.332 2.325 0 40 BEAB Cn1cnc(-c2ccc(OC(F)(F)F)cc2)n1 2362801344 FXACQAUACCKGHT-UHFFFAOYSA-N 243.188 2.381 0 40 BEAB Cc1ccc(C2CC2)c(OCC2=NCCN2)c1 1151 JJFSSNDOOJCPLD-UHFFFAOYSA-N 230.311 2.253 0 40 BEAB in-man O=C(Oc1ccccn1)c1cccs1 375733 FDFYMYMTXXSBJM-UHFFFAOYSA-N 205.238 2.362 0 40 BEAB CCOc1nc(C(=O)O)cc2ccsc12 1564413 DLOQSZORGCWXCI-UHFFFAOYSA-N 223.253 2.393 0 40 BEAB CCC(=O)O[C@H]1CCC[C@H](OC(=O)CC)C1 1687915 GKFARIMGPCTUAY-UWVGGRQHSA-N 228.288 2.204 0 40 BEAB NC(=O)COc1ccc2ccccc2c1Cl 1732248 CIOBWIQLSLWFIY-UHFFFAOYSA-N 235.670 2.357 0 40 BEAB O=C(c1nccs1)c1cccnc1Cl 2392658 LQGOPOUPHASIJY-UHFFFAOYSA-N 224.672 2.423 0 40 BEAB CC(C)(C)OC(=O)NC1CCC(CCO)CC1 2518254 KTNFSGIXLVLQNK-UHFFFAOYSA-N 243.347 2.452 0 40 BEAB Cc1cccc2nc(C(F)(F)F)cc(=O)n12 3133808 SDSJEPDKNIUJMT-UHFFFAOYSA-N 228.173 2.022 0 40 BEAB Cc1cnc(C(=O)NC2CCCCCC2)cn1 3563574 GKKXUUDJDUNTRO-UHFFFAOYSA-N 233.315 2.238 0 40 BEAB CCCN1C(=O)c2ccccc2[C@@H]1OC 4599597 JJVHSJSOZWDQMJ-LBPRGKRZSA-N 205.257 2.197 0 40 BEAB CCc1cc(=O)[nH]c(Nc2cccc(OC)c2)n1 5183579 QWWFXNSIXYXRAO-UHFFFAOYSA-N 245.282 2.085 0 40 BEAB O=C1NC(=O)/C(=C/C(Cl)(Cl)Cl)S1 5368691 RGPFVBRZIPVRMH-UPHRSURJSA-N 246.502 2.224 0 40 BEAB Cc1ccc(NC(=O)c2ccccn2)nc1 5659496 ZGRCGVXMNAXUAJ-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CN[C@H]1CCc2[nH]c3ccccc3c2C1 5996521 GHRYJTRLPDSVOY-VIFPVBQESA-N 200.285 2.245 0 40 BEAB CN(C)C(=O)CCSc1ccccc1 7055746 DLDNTFURVIRGAT-UHFFFAOYSA-N 209.314 2.257 0 40 BEAB O=C(O)CC[C@H](O)c1ccc2c(c1)CCCC2 9280477 BYQPFMCNFLPFLS-ZDUSSCGKSA-N 234.295 2.464 0 40 BEAB O=C(Nc1ncccc1O)c1cccs1 9694247 KTJFTHWLBRWHDI-UHFFFAOYSA-N 220.253 2.101 0 40 BEAB COC(=O)c1ccc(C[n+]2ccccc2C)cc1 13137680 ZSMNNCUNOQPIQZ-UHFFFAOYSA-N 242.298 2.117 0 40 BEAB C/C=C\c1ccc(OC(=O)NC)c(OC)c1 17021679 REWCHNBADSSUQQ-PLNGDYQASA-N 221.256 2.447 0 40 BEAB Cn1c([C@H](N)c2ccccn2)nc2ccccc21 19930120 XFSJJLJQKQFTTN-CYBMUJFWSA-N 238.294 2.016 0 40 BEAB in-vitro COC(=O)/C=C/c1ccc(OC)cc1C 20154690 QMNBCLPBTQCKKX-FNORWQNLSA-N 206.241 2.190 0 40 BEAB O=C(O)c1ccc(Cl)c(Cl)c1O 20593689 YDOVRFJDZXIYMW-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB in-vitro Cc1cc(Oc2cnccn2)ccc1N 21955652 CIFRUDXIMWQHRX-UHFFFAOYSA-N 201.229 2.160 0 40 BEAB in-vitro COCC(=O)Nc1ccc2nc(C)sc2c1 24044019 BNSRHBDWTRZAFM-UHFFFAOYSA-N 236.296 2.190 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccn2)C1 33023829 PYDPTAHAJJXXDA-GHMZBOCLSA-N 218.300 2.200 0 40 BEAB COCCCNC(=O)c1ccc(F)cc1Cl 33023970 DXECKSXUDKRLQN-UHFFFAOYSA-N 245.681 2.245 0 40 BEAB NC[C@@H](CCO)c1ccc(Cl)c(Cl)c1 33962124 LGIGCDLFWQIHLQ-MRVPVSSYSA-N 234.126 2.418 0 40 BEAB CC[C@](C)(C(=O)OC)N1CCC[C@H](C)C1 35655765 MGVMHLJMIWYJRP-CMPLNLGQSA-N 213.321 2.060 0 40 BEAB COc1ccc(Cl)c2c(N)ccnc12 36075601 KWKJFSCVGSCNRP-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB O=C(CCc1ccccc1F)Nc1cn[nH]c1 36393342 RACLNWDWJKMXLZ-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 42013570 IFTZDHMQDSHDNV-UHFFFAOYSA-N 242.326 2.457 0 40 BEAB CCOC(=O)[C@H](N)Cc1csc2ccccc12 44340497 JFXATFHFXAOZDY-LLVKDONJSA-N 249.335 2.334 0 40 BEAB CCOC(=O)c1nc(Cl)ccc1F 47203108 OXOOZAOCBRWZNK-UHFFFAOYSA-N 203.600 2.051 0 40 BEAB C[C@H](Cc1ccc(F)cc1F)C(=O)O 50885440 AIGQKQFFVKEHOL-ZCFIWIBFSA-N 200.184 2.228 0 40 BEAB CCOc1ccccc1-c1cc(C(=O)OC)[nH]n1 51341643 SUAYLBPMMJFRMC-UHFFFAOYSA-N 246.266 2.262 0 40 BEAB CC(C)Nc1nc(COc2ccccc2)no1 54438324 OBPQTOSUZWEIMP-UHFFFAOYSA-N 233.271 2.469 0 40 BEAB in-vitro CNC[C@H]1C[C@@H]1c1cccc(OC)c1OC 54588718 VGQQRYRFCGMFFP-KOLCDFICSA-N 221.300 2.027 0 40 BEAB O=C(Oc1ccco1)[C@@H]1C[C@@H]2C=C[C@H]1C2 55167661 CCLAJCJBGWIVGQ-KXUCPTDWSA-N 204.225 2.397 0 40 BEAB CN(C)CCSc1ncnc2ccsc12 58087566 YXILIVHSMMOMQQ-UHFFFAOYSA-N 239.369 2.345 0 40 BEAB CN(C)C(=N)c1cccc(Br)c1 62995175 DWWRYCOXPKSSPV-UHFFFAOYSA-N 227.105 2.336 0 40 BEAB CC(C)CCOC(=O)CNC(=O)CC(C)(C)C 64966452 OPWHRGZVCHTLRH-UHFFFAOYSA-N 243.347 2.128 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@H](C)[C@@H]1CN 70176662 OGWZDUBOIVNKHI-JSGCOSHPSA-N 246.354 2.194 0 40 BEAB CCC(CC)CNC(=O)N1C[C@@H](C)O[C@H](C)C1 71856720 VGILEWGNNCLVKU-GHMZBOCLSA-N 242.363 2.241 0 40 BEAB CCNc1ccc([C@H]2CCCCN2)cn1 72213087 VAGVLEWILYNFPD-LLVKDONJSA-N 205.305 2.328 0 40 BEAB Cc1ccc2nc3c(c(O)c2c1)C[C@@H](N)CC3 76065625 SPFXOANXWHEVLM-VIFPVBQESA-N 228.295 2.065 0 40 BEAB c1ccc(CNCCO[C@H]2CCCCO2)cc1 77272577 YUUJCVDCOIEXHN-AWEZNQCLSA-N 235.327 2.319 0 40 BEAB in-vitro COc1ccc(Cn2ccc(C=O)c2)cc1 84199262 PKDDFXFOOUHGRB-UHFFFAOYSA-N 215.252 2.358 0 40 BEAB C[C@H](C[C@H](O)c1ccco1)NCc1cccn1C 95448842 IYEFJRIFQICJPC-YPMHNXCESA-N 248.326 2.220 0 40 BEAB Cc1nc(OC2CCCCC2)cc(C(=O)O)n1 96524175 KMUHBSWPFLDHOT-UHFFFAOYSA-N 236.271 2.195 0 40 BEAB CC[C@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)O)(C3)C2 100158705 OWTGEISDJULWJQ-OJAKKHQRSA-N 224.300 2.183 0 40 BEAB C[C@@]12C=C[C@](C)(CCCC1)S2(=O)=O 101036696 XPURMCCDSCCZRX-UWVGGRQHSA-N 200.303 2.062 0 40 BEAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=S)N1)O2 101170333 IYLSQGMFAWNLIA-MFKMUULPSA-N 248.351 2.267 0 40 BEAB C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 102253554 ABFVODLSARTRLV-ZDEQEGDKSA-N 219.328 2.457 0 40 BEAB C[C@]1(CO)CCC[C@H]1NC(=O)C[C@@H]1C=CCC1 107157966 YVHDZSLHMGJAGE-YRGRVCCFSA-N 237.343 2.010 0 40 BEAB O=C(OCCOCC(F)(F)F)c1ccccc1 109417036 BGTNLNHFXDHXEL-UHFFFAOYSA-N 248.200 2.422 0 40 BEAB Nc1cnccc1C(=O)c1ccc(F)cc1F 116751540 OPQZAMDVCSKSRC-UHFFFAOYSA-N 234.205 2.173 0 40 BEAB Clc1cn2c(n1)OC=C(Br)C2 228909766 UHHBRSSQAWWYQO-UHFFFAOYSA-N 235.468 2.165 0 40 BEAB COC(=O)c1nc(-c2cccc(F)c2)c[nH]1 256050555 FMKPEROHIBEHIL-UHFFFAOYSA-N 220.203 2.002 0 40 BEAB CC[C@@H](C)n1nccc1CNc1cnn(C)c1 256054861 YBXUDQCTVQRDLM-SNVBAGLBSA-N 233.319 2.200 0 40 BEAB CC1(C)SC[C@@H]1Nc1nnc(C(F)F)o1 293290820 YKGRSDATEDOTEC-BYPYZUCNSA-N 235.259 2.313 0 40 BEAB C[C@H](Cn1cc(Cl)c(C(F)F)n1)C(=O)O 408717370 YYJLLQNDQJHDIA-SCSAIBSYSA-N 238.621 2.195 0 40 BEAB CN(C)[C@H]1CCCC[C@H]1Oc1ccccn1 585654604 JQTHWLUXDKASSY-NWDGAFQWSA-N 220.316 2.333 0 40 BEAB C[C@@H](c1ccccc1)N1C[C@H]2CCNC[C@H]21 585656370 NGNQCJGKLHCSKU-IACUBPJLSA-N 216.328 2.041 0 40 BEAB COC(=O)c1[nH]c2cccc(F)c2c1F 1857793457 NTHNPIUGJAVHHB-UHFFFAOYSA-N 211.167 2.233 0 40 BEAB Cn1ncc(C(=O)NC2CCCCC2)c1Cl 160107 TVTCZRQXUUAMCK-UHFFFAOYSA-N 241.722 2.136 0 40 BEAB COc1ccc(-n2c(C)ccc2C)cn1 295136 JOSVQQDTVYZKHG-UHFFFAOYSA-N 202.257 2.498 0 40 BEAB CCC[C@]1(C)OC[C@@H](CCCCO)O1 1671367 BULLPQFXXZMYPP-GHMZBOCLSA-N 202.294 2.081 0 40 BEAB C[C@@H]1[C@@H](C(=O)O)CCCN1C(=O)OC(C)(C)C 2527156 TZNCDXAIDIETKV-BDAKNGLRSA-N 243.303 2.107 0 40 BEAB CCCC[N+]1=Cc2cc(OC)c(OC)cc2CC1 4037633 ACMAWVQVULRYCA-UHFFFAOYSA-N 248.346 2.491 0 40 BEAB biogenic O=c1c(-c2ccccc2)cnc2n1CCS2 4072980 GQWKEFQXORMYTP-UHFFFAOYSA-N 230.292 2.016 0 40 BEAB CCC(=O)Nc1nonc1-c1ccc(OC)cc1 5450851 YHWSJNUQINFECJ-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB Cc1cccc(NC(=S)NC(=O)C(C)C)c1 9064096 SEKNZFRQMBVMEB-UHFFFAOYSA-N 236.340 2.464 0 40 BEAB CCOc1ccc(-c2n[nH]cc2C(=O)O)cc1 9189809 HNYJTVNZWNPQIT-UHFFFAOYSA-N 232.239 2.174 0 40 BEAB Cc1ccccc1CN1CCC[C@@H](CN)C1 11888313 ISFLRLLQTOSUHF-ZDUSSCGKSA-N 218.344 2.166 0 40 BEAB O=C(/C=C\NCc1ccco1)C(F)(F)F 16158765 XWOHWPQMGNIJMH-ARJAWSKDSA-N 219.162 2.014 0 40 BEAB Cn1ccc(NC(=O)c2cc3ccccc3o2)n1 16470657 JKGRJWPOUOAGRW-UHFFFAOYSA-N 241.250 2.419 0 40 BEAB CCn1c(-c2ccc[nH]c2=O)nc2ccccc21 18068107 VCTLTZMCGYFQAU-UHFFFAOYSA-N 239.278 2.412 0 40 BEAB CCCCCNC(=O)c1ccc(N)cc1 19400667 XZGYRURAYYNRPY-UHFFFAOYSA-N 206.289 2.189 0 40 BEAB COc1ccc2c(CCC(=O)O)c[nH]c2c1 20269225 DKFJNGSTEWCNOY-UHFFFAOYSA-N 219.240 2.194 0 40 BEAB CCN(CC)c1ccc(CC(=O)O)cc1 20269667 OILWYHDLQFTXAM-UHFFFAOYSA-N 207.273 2.160 0 40 BEAB COC(=O)c1c(N)sc2ccccc12 20286476 HUQQDOKKXZCNOI-UHFFFAOYSA-N 207.254 2.270 0 40 BEAB BrC1=NO[C@@H](c2ccccn2)C1 30678684 RFOXEJQCVRQUFN-SSDOTTSWSA-N 227.061 2.251 0 40 BEAB CCOC(CNCCc1ccccc1)OCC 32157023 IZISGBNIQIHBHI-UHFFFAOYSA-N 237.343 2.218 0 40 BEAB Cc1cc(C)nc(NC(=O)[C@H]2CC=CCC2)n1 32735945 UHVXYTLSXSSRDD-NSHDSACASA-N 231.299 2.388 0 40 BEAB C1CC[C@H]2CN(CC3CCNCC3)CC[C@@H]2C1 36810186 AKHRXOPFAVJESK-GJZGRUSLSA-N 236.403 2.498 0 40 BEAB CCC[C@@H](N)C(=O)N(CC)Cc1ccccc1C 36873429 NKHBLTCSYSXRQX-CQSZACIVSA-N 248.370 2.471 0 40 BEAB Cc1nnc(NC(=O)CCC(C)C)s1 39988320 ALFDGWHDJPOOOO-UHFFFAOYSA-N 213.306 2.221 0 40 BEAB C[C@@H](NC(=O)CCn1cccn1)c1cccs1 40480938 GFFHZJFKOUWDAR-SNVBAGLBSA-N 249.339 2.212 0 40 BEAB C[C@H]1CNCCN1Cc1ccccc1Cl 41245324 WJEFKEHMPJWMOV-JTQLQIEISA-N 224.735 2.134 0 40 BEAB CN(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 44976607 MVRNCZJEDAJLJR-YUMQZZPRSA-N 223.238 2.443 0 40 BEAB COC(=O)c1cc(F)c(F)cc1Cl 47202261 AYXSLWFGIGSIDJ-UHFFFAOYSA-N 206.575 2.405 0 40 BEAB in-vitro CNc1cc(C(=O)NC2CC2)c2ccccc2n1 47852459 LFWMTYBDDYBJSJ-UHFFFAOYSA-N 241.294 2.169 0 40 BEAB COCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 48324750 YSUOQZKOQNGYEQ-NWDGAFQWSA-N 239.359 2.378 0 40 BEAB COc1ccc(S[C@H]2CCNC2)cc1 51783967 FRIKEAYAMSNBRO-NSHDSACASA-N 209.314 2.149 0 40 BEAB Cc1nc(C(C)(C)C)nc(C)c1C(=O)O 54836190 MQEVJVZJMITFFE-UHFFFAOYSA-N 208.261 2.089 0 40 BEAB CC(C)NC(=S)N1CCCc2ncccc21 55023841 PMWVQXWXGHOXNS-UHFFFAOYSA-N 235.356 2.117 0 40 BEAB CCCS(=O)(=O)N[C@H](C)c1ccccc1 57950394 QZHSWBHQVZONRP-SNVBAGLBSA-N 227.329 2.077 0 40 BEAB CCNc1nc(C2=Cc3ccccc3OC2)no1 62716600 YMUXFYRFLYSLEQ-UHFFFAOYSA-N 243.266 2.434 0 40 BEAB C[C@@H]1CN[C@H](Cc2ccc(Cl)cc2)CO1 71532523 QUPLJPIJRLSDFC-BXKDBHETSA-N 225.719 2.259 0 40 BEAB CCCCS(=O)(=O)NCc1ccccc1C 72272998 JAYHMQIYJKZXFM-UHFFFAOYSA-N 241.356 2.215 0 40 BEAB CCOC(=O)c1n[nH]c(C(F)(F)F)c1Cl 72319854 ZZAXJKKEFLFPKU-UHFFFAOYSA-N 242.584 2.259 0 40 BEAB CC(C)N1CCC[C@H](c2cncc(N(C)C)n2)C1 72348467 LXKPACIODVKUTE-LBPRGKRZSA-N 248.374 2.130 0 40 BEAB CC[C@@H]1CN(Cc2ccccn2)CCS1 76072049 PYGZQINVUWERAW-GFCCVEGCSA-N 222.357 2.409 0 40 BEAB CCNC(=O)N1CCCC[C@@H]1CCOC(C)C 78806324 FMKSZZJFLHCTLD-GFCCVEGCSA-N 242.363 2.386 0 40 BEAB CCOC(=N)c1cncc(Br)c1 84194026 AQXNVBAEPCMPLA-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB O=C(O)CC[C@H]1CNc2ccccc2C1 84771612 FJIZHKFEKQACGX-SECBINFHSA-N 205.257 2.136 0 40 BEAB COc1cc(CO)c(F)c(C(F)(F)F)c1 91252072 ZWHWVTLVMXSITQ-UHFFFAOYSA-N 224.153 2.345 0 40 BEAB Clc1ncc2cc(Br)cnc2n1 95707429 WEYJDKGLVMTHCW-UHFFFAOYSA-N 244.479 2.441 0 40 BEAB NC1(CNC(=O)OCc2ccccc2)CCCC1 96295500 XYDOETUKOGBOFF-UHFFFAOYSA-N 248.326 2.184 0 40 BEAB CCCCCN(CC(=O)O)C(=O)OC(C)(C)C 118123412 SFAOQIPMUVFWQI-UHFFFAOYSA-N 245.319 2.498 0 40 BEAB CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H](N)C1 216550380 PIBNHYAGDOXHSE-BXKDBHETSA-N 228.336 2.171 0 40 BEAB C[C@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 222555974 OJCJSJJNJMHORN-YWVKMMECSA-N 233.340 2.318 0 40 BEAB Cc1nn(C(C)C)cc1NCc1ccn(C)n1 256050618 FUVCFWDYENUNAT-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CN(C)c1noc([C@H]2CCc3ccccc3O2)n1 333749569 JVIVAHHJEZKIGL-LLVKDONJSA-N 245.282 2.202 0 40 BEAB COc1cc(OCC(F)(F)F)ccc1C=O 725239814 AUPUQNGCIQCQGM-UHFFFAOYSA-N 234.173 2.449 0 40 BEAB CCCCCC[C@@H](C)OC(=O)[C@H](C)O 1591823 QOJLBDMAKOJFNZ-ZJUUUORDSA-N 202.294 2.269 0 40 BEAB CC(C)CO[C@H]1C(=O)CCC[C@@H]1CCC(=O)O 4181827 IGZDTIAVSQHVMM-ZWNOBZJWSA-N 242.315 2.262 0 40 BEAB O=C(Nc1ccc2cn[nH]c2c1)c1ccco1 5323283 NWIXSSJUFONRDP-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB CCN(CC)C(=O)c1ccc2nsnc2c1 5452917 IQCLRZGNLISSSG-UHFFFAOYSA-N 235.312 2.173 0 40 BEAB C[C@@H]1NC(N2CCCC2)=Nc2ccccc21 5723602 OVUCRTJZBVDRRC-JTQLQIEISA-N 215.300 2.434 0 40 BEAB CCCCCNC(=O)[C@H]1COc2ccccc2O1 6320500 URFGENCXGPGHMA-CYBMUJFWSA-N 249.310 2.133 0 40 BEAB CC[C@@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 9959521 VPMWZLUFDOHJFC-ZJUUUORDSA-N 221.300 2.453 0 40 BEAB CNC[C@@H]1CCCN(Cc2ccccc2)C1 11888672 JOOMZMXXEQECFS-AWEZNQCLSA-N 218.344 2.118 0 40 BEAB O=C(/C=C/c1ccco1)Nc1ccccn1 12341516 XOPHQUWQRVLDOP-VOTSOKGWSA-N 214.224 2.327 0 40 BEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1cccc(F)c1 12977076 JXAGVEKCVKBHDZ-BXKDBHETSA-N 237.274 2.182 0 40 BEAB Cc1nc(CNC(=O)c2ccccc2)cs1 15832140 AUVHAMXJHFZVSB-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB C/C=C\c1ccc(OCC(=O)O)c(OC)c1 16137341 UORQJKKOBXSGRG-ARJAWSKDSA-N 222.240 2.192 0 40 BEAB Cn1cc(Cl)c([C@H]2CCCCCN2)n1 19290017 DIEJLNSTLRNAEK-SECBINFHSA-N 213.712 2.278 0 40 BEAB COc1ccc([C@H]2C[C@@H]2C(C)=O)cc1OC 20392378 WFCJJPNRPWWNHK-GHMZBOCLSA-N 220.268 2.396 0 40 BEAB CCCC[C@@](N)(C(=O)OC)c1ccccc1 21299083 GTGCPCXBADEBNA-ZDUSSCGKSA-N 221.300 2.204 0 40 BEAB Cc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1 22166913 JIDRSRYRCNYOIG-NFAWXSAZSA-N 248.370 2.104 0 40 BEAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C=O 25625506 YNUVAJRGRQBLLB-AXFHLTTASA-N 212.289 2.189 0 40 BEAB Cc1cc2c(cc1CNc1cnccn1)OCO2 32573276 HCWRNRKEVCLSGV-UHFFFAOYSA-N 243.266 2.126 0 40 BEAB Cc1cccc2[nH]c(C(=O)NC3CC3)cc12 32856006 QRDPKORSUAHGCV-UHFFFAOYSA-N 214.268 2.369 0 40 BEAB CCNCc1cc(OC)ccc1OCC 34655804 PDNKPLCSJPWQIP-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB Cn1ccnc1S[C@H]1CCCCC1=O 35182518 YMXPXLBABUWMLL-VIFPVBQESA-N 210.302 2.024 0 40 BEAB C[C@@H](O)c1ccc(NC(=O)c2ccncc2)cc1 35646047 NAENVABPRSOQSB-SNVBAGLBSA-N 242.278 2.387 0 40 BEAB OCc1cc(-c2ccc(Cl)cc2)n[nH]1 36158566 RKRVZXGXEMWOAV-UHFFFAOYSA-N 208.648 2.222 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F 37381181 VEQHUVWIKWWTFY-HTQZYQBOSA-N 228.194 2.476 0 40 BEAB in-vitro C[C@H](CN1CCCNCC1)c1ccccc1 40240933 WYPAWXHOCYERMM-CYBMUJFWSA-N 218.344 2.085 0 40 BEAB COc1ccccc1[C@@H](CN)OC(C)C 43099594 OTFBILKLUKSVON-GFCCVEGCSA-N 209.289 2.120 0 40 BEAB in-vitro CC[C@@H](C)N(C)C(=O)Cc1cccc(N)c1 52922389 HBMGJOMRCYQUPK-SNVBAGLBSA-N 220.316 2.068 0 40 BEAB N[C@]1(C(=O)O)C[C@H]1c1cccc(Cl)c1Cl 62713036 YNZPPWVXHZCNLB-QUBYGPBYSA-N 246.093 2.263 0 40 BEAB Brc1ccc2c(c1)CCNCC2 67175647 ZVNFJSFIRKPMES-UHFFFAOYSA-N 226.117 2.137 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CN)c1 70176207 CXDLKTMHAJWXGV-OCCSQVGLSA-N 246.354 2.194 0 40 BEAB CC(C)CCC(=O)NC[C@@H](O)Cc1ccccc1 71856890 SZCLATYVQAURHT-AWEZNQCLSA-N 249.354 2.142 0 40 BEAB Clc1cccc(CNC[C@@H]2CCCN2)c1 72202836 PMTRXXSTDJNHED-LBPRGKRZSA-N 224.735 2.182 0 40 BEAB CC[C@@H]1CCCCN1CC(=O)N1CCCCC1 78821777 TWHZIGZKOUPMKW-CYBMUJFWSA-N 238.375 2.263 0 40 BEAB O=C(c1cccnc1)N1CCC[C@H]2CCC[C@@H]21 89793926 PEYXARVGHKTKPT-YPMHNXCESA-N 230.311 2.486 0 40 BEAB CCCN(CCOCCO)C1CCCCC1 95399798 OVIDGGKAZHYLNT-UHFFFAOYSA-N 229.364 2.040 0 40 BEAB COC[C@H](Cc1ccccc1)NC1CCOCC1 95420565 PLBFCRULAZGUBN-HNNXBMFYSA-N 249.354 2.013 0 40 BEAB N[C@@H](CCc1ccccc1C(F)(F)F)C(=O)O 95749153 BCXGVVUDFMBXEM-VIFPVBQESA-N 247.216 2.050 0 40 BEAB CCN(Cc1cccs1)[C@@H]1C[C@H](C)OC1=O 95978490 SODIJYHNZQMAKB-GXSJLCMTSA-N 239.340 2.274 0 40 BEAB COC(=O)c1ccc(F)c(Cn2ccc(C)n2)c1 97080278 LPLZUYDSRCCCIN-UHFFFAOYSA-N 248.257 2.166 0 40 BEAB Cc1cn2c(n1)CC[C@@H](Nc1ncccc1F)C2 97104595 CYRYNFBOXZGYGU-SNVBAGLBSA-N 246.289 2.153 0 40 BEAB CC(C)(C)OC(=O)N1Cc2occ(CO)c2C1 97759007 LHDFHSJPQJAIEV-UHFFFAOYSA-N 239.271 2.023 0 40 BEAB COC(=O)c1oc2ccc(C)cc2c1O 110752154 PAVGURPVMUJLMX-UHFFFAOYSA-N 206.197 2.233 0 40 BEAB Cc1nnc(-n2cccn2)c2ccccc12 111551484 LEIHGGZQELPALO-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB OCc1ccc(-c2ccccc2)cc1CO 145656536 YIJKBBMGYSWBTR-UHFFFAOYSA-N 214.264 2.338 0 40 BEAB CN(c1ncc(F)cn1)C1CCCCC1 269522258 WBUPVPRUUMZADW-UHFFFAOYSA-N 209.268 2.385 0 40 BEAB FC(F)(F)[C@]1(c2ccccc2)COCCN1 306145522 HMBVPIVVXPSBEY-SNVBAGLBSA-N 231.217 2.064 0 40 BEAB COC[C@H]1CCN1C(=O)Nc1csc(C)c1 640639690 BUYASECGUMGGDK-SNVBAGLBSA-N 240.328 2.309 0 40 BEAB Oc1ncncc1Oc1ccccc1F 685936273 OFBTXGUTVKSDTL-UHFFFAOYSA-N 206.176 2.114 0 40 BEAB Cc1cn(-c2ccc(Cl)cc2N)cn1 685936529 DDNFNCXDWNJWJR-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB COc1cccc(C(=O)NCC(C)C)c1 290309 BNFJAAKDMOPMEN-UHFFFAOYSA-N 207.273 2.081 0 40 BEAB Cc1ccc(C(=O)OCCn2ccnc2)cc1 971653 LBOCDTONRVXMBS-UHFFFAOYSA-N 230.267 2.049 0 40 BEAB Cc1ccc[n+](CCCC[n+]2cccc(C)c2)c1 1669546 ZAVJLJZCYQCURX-UHFFFAOYSA-N 242.366 2.359 0 40 BEAB C[C@H]1CO[C@H](c2ccc(N(C)C)cc2)O1 1687904 JJXDAGJXGOZEGJ-CABZTGNLSA-N 207.273 2.187 0 40 BEAB CCCC[C@@H](COC(=O)CC)OC(=O)CC 1696884 PMTGPGHLCICNLJ-JTQLQIEISA-N 230.304 2.452 0 40 BEAB CCOC(=O)N1C=Cc2ccccc2[C@@H]1C(=N)N 1698259 JALPIUOSSNXQGO-LLVKDONJSA-N 245.282 2.106 0 40 BEAB CC1=N/C(=C/c2ccc(C)cc2)C(=O)O1 2455540 DRSAXSPSSHVKSE-YRNVUSSQSA-N 201.225 2.311 0 40 BEAB CN(C)c1ncc(-c2nc3ccccc3o2)cn1 3030999 JGCKOZVWZNDRPR-UHFFFAOYSA-N 240.266 2.351 0 40 BEAB COc1ccccc1NC(=O)C(F)(F)F 3195201 MYPKUDNIQPOXHU-UHFFFAOYSA-N 219.162 2.196 0 40 BEAB biogenic Nc1nc(=S)[nH]c2nc3c(cc12)CCCC3 5995921 PHFQIRCWFCHQMG-UHFFFAOYSA-N 232.312 2.148 0 40 BEAB COc1ccc([C@@H](N)c2cccnc2)cc1 8699685 XUKDXAGGXGAMBG-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB Cc1ccsc1C(=S)N1CCOCC1 9188935 MTWAVOLZBNJQID-UHFFFAOYSA-N 227.354 2.064 0 40 BEAB CC[C@H](C)NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 12891743 WMSAJLYXXMAPRW-QMMMGPOBSA-N 248.326 2.370 0 40 BEAB O=C(N[C@H]1CCc2ccccc21)c1cccnc1 13011508 MNVFJLYUZJMWCD-AWEZNQCLSA-N 238.290 2.499 0 40 BEAB Cc1ncc2c(n1)N[C@@H](c1ccc(F)cc1)NC2 17429570 QSVDGTUZJCSAGB-LBPRGKRZSA-N 244.273 2.138 0 40 BEAB Cc1ccc(-n2cc3c(C)nnc(O)c3n2)cc1 20272358 IUDLQJKGJDWMGH-UHFFFAOYSA-N 240.266 2.138 0 40 BEAB CNCc1ccc(-c2ccc(C(=O)O)cc2)o1 20875505 IIBSLDMRMPQGPD-UHFFFAOYSA-N 231.251 2.364 0 40 BEAB Cc1cc(NC(=O)c2ccc(Cl)o2)no1 21442152 LEPJZJQYHIFXLV-UHFFFAOYSA-N 226.619 2.482 0 40 BEAB O=C(O)CCCNCc1ccccc1Cl 21953166 IQTZERJEHVOFSW-UHFFFAOYSA-N 227.691 2.294 0 40 BEAB in-vitro C[C@H](NC(=O)c1ccc2c(c1)CCO2)C1CC1 23111382 MOMCQSQRLIVDCF-VIFPVBQESA-N 231.295 2.150 0 40 BEAB Cc1c([C@H](C)NC(=O)C2CCCC2)cnn1C 25006366 BHOISNYXIFTLCG-VIFPVBQESA-N 235.331 2.096 0 40 BEAB COc1ccc(Br)c(C(N)=S)c1 32627574 HJNMFXMNMSKPPG-UHFFFAOYSA-N 246.129 2.092 0 40 BEAB in-vitro COc1ccc(OC(C)C)c(C(=O)O)c1 37093748 NLDJRCITDXGZMJ-UHFFFAOYSA-N 210.229 2.181 0 40 BEAB Cn1c(=O)cc(Br)c2ccccc21 39121448 HBHLDFROPPTEDU-UHFFFAOYSA-N 238.084 2.301 0 40 BEAB Cc1ccc(C(=O)Nc2nccs2)cn1 44895776 RGUJFNYKRODBKH-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB Cc1cc(N)ccc1-n1cccc1C(=O)O 47844120 WMBYLHXGULTRCK-UHFFFAOYSA-N 216.240 2.066 0 40 BEAB in-vitro COc1ncc([C@@H](O)c2ccccc2)cc1C 72221943 KSSBRAUGIWMKGP-ZDUSSCGKSA-N 229.279 2.480 0 40 BEAB COC[C@H](C)Oc1ccc2ccc(=O)oc2c1 72311185 BRWYCAFLFBXTQA-VIFPVBQESA-N 234.251 2.207 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)C(C)C)C1 72361226 WJWWRCTVXKJQQO-LLVKDONJSA-N 235.331 2.080 0 40 BEAB CC(=O)[C@@H]1C[C@H](c2cccc(F)c2)OC1=O 77333124 CFOCFKDZKICAPN-WDEREUQCSA-N 222.215 2.019 0 40 BEAB CC[C@@H](C)C(=O)NC(C)(C)C(C)(C)C(=O)O 83643886 AWCHDGPGFYGGGD-MRVPVSSYSA-N 229.320 2.038 0 40 BEAB Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H](C)N)cc1 83932810 NJTBRWLUZYBECQ-GFCCVEGCSA-N 248.370 2.078 0 40 BEAB C[C@H](N)COCc1ccccc1Br 89262679 XIEXXUIVIYMMGM-QMMMGPOBSA-N 244.132 2.313 0 40 BEAB Nc1ncccc1-c1nc(-c2ccccc2)no1 89263272 VHAKIGGGCSSIGD-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB COc1cc(CC(C)(C)O)cc(OC)c1 95740115 VVBGMBHIYAVKGF-UHFFFAOYSA-N 210.273 2.017 0 40 BEAB CCOc1ccc(OCCOCCOC)cc1 95982959 PGVRWLQGKJNSBG-UHFFFAOYSA-N 240.299 2.127 0 40 BEAB C[C@@H](Cc1ccc(O)cc1)N(C)c1ncccn1 96485316 XVBGMPRBASDJSC-NSHDSACASA-N 243.310 2.250 0 40 BEAB NC[C@@H]1CCCCN1CCc1ccccc1F 96523597 NLLVJKVMPNGXEI-ZDUSSCGKSA-N 236.334 2.181 0 40 BEAB CSCC[C@H](N)CN(C)C1CCCCC1 96523859 KDYCGPHBOVVHAU-NSHDSACASA-N 230.421 2.331 0 40 BEAB O=C(O[C@H]1CCOC1)c1cc2ccccc2o1 107016092 WTJVLJQONRHMKQ-JTQLQIEISA-N 232.235 2.379 0 40 BEAB Cc1nc(CC(=O)O)c2ccccc2c1C 225747901 GTGYDMHQBLTKEI-UHFFFAOYSA-N 215.252 2.479 0 40 BEAB COC(=O)[C@@H](C)SCCN1CCC[C@H](C)C1 253369503 DGIBNBGMRYYOJE-WDEREUQCSA-N 245.388 2.013 0 40 BEAB COc1cccc(-c2cc(C(=O)O)c[nH]2)c1 261507200 GKMKKEYVKDHZNR-UHFFFAOYSA-N 217.224 2.389 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2CO 575440845 MOASFGIIEIYFQA-MXWKQRLJSA-N 241.331 2.014 0 40 BEAB Nc1cc(-c2ncccc2C(F)(F)F)[nH]n1 1536085314 BMLAOQLKWWLACM-UHFFFAOYSA-N 228.177 2.073 0 40 BEAB N=c1nc2c(c[nH]1)Cc1ccc(Cl)cc1-2 1857793591 WDPHVHMCZIIVDO-UHFFFAOYSA-N 217.659 2.114 0 40 BEAB CN1c2ccccc2C(C)(C)[C@]12CCCC(=O)N2 517715 FNUNAZPEIZDMSI-HNNXBMFYSA-N 244.338 2.410 0 40 BEAB biogenic CC(=O)C[C@H](O)c1ccc2ccccc2n1 518332 PAIBIOZTYPEIRM-ZDUSSCGKSA-N 215.252 2.247 0 40 BEAB CNC[C@H](c1ccc(O)cc1)C1(O)CCCCC1 2525893 MMSWXJSQCAEDLK-CQSZACIVSA-N 249.354 2.390 0 40 BEAB biogenic,world CCC[C@@H](C)N[C@H](C)C(=O)NC1CCCC1 3338036 HZNSQZSYXOESAW-GHMZBOCLSA-N 226.364 2.212 0 40 BEAB CCc1n[nH]c2cc(-c3ccccc3)nn12 3848417 WAJPMSGDEWPZCI-UHFFFAOYSA-N 212.256 2.287 0 40 BEAB CC(C)(C)c1csc(SCC(N)=O)n1 4668940 QWBNKVHBNWOBME-UHFFFAOYSA-N 230.358 2.018 0 40 BEAB CCCCCS(=O)(=O)N1CCCCCC1 5217432 INYXBLAUCDUXJM-UHFFFAOYSA-N 233.377 2.382 0 40 BEAB C[C@H]1C[C@H](C)CN(C[C@H](O)COC(C)(C)C)C1 7636313 ZBIFCFISTMMDTM-AVGNSLFASA-N 243.391 2.140 0 40 BEAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 13319997 RJDRLSHRAYLXIA-GXFFZTMASA-N 249.310 2.051 0 40 BEAB Cc1ccc([C@@H](C(=O)O)N2CCCC2)cc1 16739303 GLVCZQPNGPMPNZ-LBPRGKRZSA-N 219.284 2.217 0 40 BEAB COc1ccc(NC(=O)c2ccoc2C)cn1 17296771 RTGHPYBDUVGRKW-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB O=C(O)CCc1cccc2cnccc12 19722020 GYSUKDLKXFFECG-UHFFFAOYSA-N 201.225 2.252 0 40 BEAB in-vitro Cc1cc(N)ccc1NC(=O)c1ccncc1 20344219 OOVQOCISTLOJHL-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB COc1cc(NCc2cc[nH]n2)cc(OC)c1 20350790 BFOIWARYZDBQKR-UHFFFAOYSA-N 233.271 2.039 0 40 BEAB O=C(O)/C=C/c1cccc(OC(F)F)c1 20526719 YAXXERXTVQNNBQ-SNAWJCMRSA-N 214.167 2.386 0 40 BEAB COCc1ccccc1CNC(=O)c1ccco1 25303929 VSIMDLBCCNPTPI-UHFFFAOYSA-N 245.278 2.356 0 40 BEAB Fc1ccc(N2CCn3c2n[nH]c3=S)cc1 26421932 LPPXEZKRYNZZDO-UHFFFAOYSA-N 236.275 2.231 0 40 BEAB NC(=O)[C@H](NCCC1CCCC1)c1ccccc1 30508964 SHAJVKKYWHHXOS-CQSZACIVSA-N 246.354 2.383 0 40 BEAB CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 30635344 CUXXEMFNEZVWNX-UHFFFAOYSA-N 201.229 2.035 0 40 BEAB Cc1cc(NC(=O)NC(C2CC2)C2CC2)no1 32900942 MYKKQYFOGRSMFC-UHFFFAOYSA-N 235.287 2.293 0 40 BEAB C1CCCN(CC[C@@H]2CCCNC2)CC1 34449439 PDCYDPHFWMESPA-ZDUSSCGKSA-N 210.365 2.252 0 40 BEAB COc1cc(C)c(Cl)cc1C(=O)O 36198904 XPKNIGFRIFWPQP-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB C[C@H](C(=O)c1ccncc1)c1ccccn1 37866083 RXIQIWCMEYWGSF-JTQLQIEISA-N 212.252 2.463 0 40 BEAB aggregator,in-vitro CCN(CC)[C@@H](CN)c1ccccc1C 38827557 OWQIRLVOUXXGRO-ZDUSSCGKSA-N 206.333 2.337 0 40 BEAB Nc1cc(Cl)ccc1OC[C@H]1CCOC1 41045912 WLUQKEUGNJBYRE-QMMMGPOBSA-N 227.691 2.338 0 40 BEAB Clc1cncc(OCC[C@@H]2CCCCN2)n1 42774125 AJFFVQGKZMZNNG-VIFPVBQESA-N 241.722 2.041 0 40 BEAB in-vitro C[C@@H](CC(=O)O)CC(=O)c1ccc(N(C)C)cc1 43214233 UVNQRRQNYLYJGE-SNVBAGLBSA-N 249.310 2.436 0 40 BEAB CCCc1nnc(-c2ccc(N)cc2)o1 44676189 DBNOCQPUKRGLEM-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB C=CC(=O)N1CC[C@H](c2ccccc2)C1 50599515 HFKHWUCEAWYFEM-LBPRGKRZSA-N 201.269 2.189 0 40 BEAB CCC(=O)Nc1ccccc1C(=O)NCC(C)C 51528702 GXVQXLNTSVRRLM-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB CC[C@@H](C(=O)N1CCNC[C@@H]1C)c1ccccc1 54369890 OSAXFPZZSDMGBO-GXTWGEPZSA-N 246.354 2.001 0 40 BEAB O=C(c1ccc2c(c1)OCCO2)c1ccccn1 55199170 YMULDMNVRZVHRU-UHFFFAOYSA-N 241.246 2.084 0 40 BEAB COc1ccc(-c2n[nH]c(Cl)n2)cc1OC 64875231 GOCOKIJBGOQZHG-UHFFFAOYSA-N 239.662 2.142 0 40 BEAB O=C(Nc1cc(-c2ccncc2)no1)C1CCC1 65152639 RZLSGDZJIDOTKA-UHFFFAOYSA-N 243.266 2.475 0 40 BEAB O=C(O)c1cn[nH]c1CCC1CCCC1 71980928 UVCSYAYCLDCANP-UHFFFAOYSA-N 208.261 2.231 0 40 BEAB Cc1cnnn1-c1ccc(Br)cc1 81388168 MOSWVEKRUUOWFB-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB CCOC(=O)c1cc(N)cc(Cl)c1F 88121869 ACHHXBLUZBSCGP-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB O=C1NCc2c(Cl)ccc(Cl)c21 89211202 ASMYKHRMDUGONA-UHFFFAOYSA-N 202.040 2.237 0 40 BEAB in-vitro Cn1cccc1CNc1cnn(CC(F)F)c1 90190376 GYSSYTSDFXQYMO-UHFFFAOYSA-N 240.257 2.099 0 40 BEAB O=C(O)c1cc(C(F)(F)F)ncc1Cl 90685969 FLNMNRMAYBXCCM-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB Cc1noc(NCc2ccc(F)cc2F)n1 95445186 BPPDDMOGDNWGSJ-UHFFFAOYSA-N 225.198 2.268 0 40 BEAB Brc1cccc([C@H]2CCCNC2)n1 95827093 QSJYEKJIUXRSGK-QMMMGPOBSA-N 241.132 2.311 0 40 BEAB Cc1ccc(Oc2nn(C)cc2N)cc1C 95836616 PKVXXBIJMFENAB-UHFFFAOYSA-N 217.272 2.411 0 40 BEAB O=C(COc1cccc2c1CCCC2)NC1CC1 96125645 YEJLDMJKYDDQFQ-UHFFFAOYSA-N 245.322 2.223 0 40 BEAB Cc1ccc2c(c1)[C@H](NCC(C)(C)C(N)=O)CC2 96492692 SAVFSAABRUTWNM-CYBMUJFWSA-N 246.354 2.083 0 40 BEAB C[C@H]1CN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C[C@@H](C)O1 102714247 UWBARERWZVANJT-NDKCEZKHSA-N 221.344 2.308 0 40 BEAB OCCC[C@@H]1CCCN1[C@H]1C=CCCC1 106853154 PRYVHGSYKFMAOV-STQMWFEESA-N 209.333 2.332 0 40 BEAB COc1ccc([C@@H](NN)c2ccccc2F)cc1 161803369 VTBKEVBTEKEGGN-CQSZACIVSA-N 246.285 2.387 0 40 BEAB CC1(C)C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C1 217764050 YSBZINBIZFCHTH-ZJUUUORDSA-N 243.347 2.451 0 40 BEAB CCO[C@@H](Cc1ccccc1CC)C(=O)O 225041533 RATBBPFBCFUKHO-LBPRGKRZSA-N 222.284 2.281 0 40 BEAB Cc1cn[nH]c1[C@@H]1CCN(Cc2cccn2C)C1 257319721 VTUMQGKUWMGYLH-GFCCVEGCSA-N 244.342 2.046 0 40 BEAB COC(=O)c1cccc(C(=O)C2CCC2)c1 258188808 CQPBQGGVGDWQLZ-UHFFFAOYSA-N 218.252 2.456 0 40 BEAB CC1(C)C(=O)Nc2ccc(Br)nc21 606303219 OQTXMUJCSNKYCR-UHFFFAOYSA-N 241.088 2.074 0 40 BEAB FC1(F)CCN(c2cc(C3CC3)ncn2)C1 641480450 MPNULOXWTNJSPZ-UHFFFAOYSA-N 225.242 2.199 0 40 BEAB OC1CC2(C1)C[C@H]2NCc1cscc1Cl 897848947 RFCFFSRGMUIXCU-LDGBHUKOSA-N 243.759 2.405 0 40 BEAB Cc1ccc(-c2cc(C)c(=O)n(C)c2)o1 904784332 UHQZUIHLPZUGEI-UHFFFAOYSA-N 203.241 2.262 0 40 BEAB Clc1cccc(-n2cc(C3CC3)nn2)n1 1889091597 LPUXNHQKNUQIEV-UHFFFAOYSA-N 220.663 2.193 0 40 BEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 562739 HMKVNYXOXOEDSM-SECBINFHSA-N 245.319 2.293 0 40 BEAB CC(=O)c1nnc2ccc(Cl)cc2c1O 2578767 KNLDXICSTPRDHV-UHFFFAOYSA-N 222.631 2.191 0 40 BEAB O=C1Oc2ccccc2[C@@]2(O)[C@@H]1[C@H]1CCCC[C@H]12 4114248 RQWNVDAJWFMNDY-LHAYTIOMSA-N 244.290 2.229 0 40 BEAB CCCCCCS[C@@H](CC(=O)O)C(=O)O 5418323 JLOMIEZOLWQRSI-QMMMGPOBSA-N 234.317 2.228 0 40 BEAB C[C@@H]1CCCCN1C(=O)COc1ccccc1 5527990 RTSZFAOSHRDVRO-GFCCVEGCSA-N 233.311 2.466 0 40 BEAB CCC[C@@H](Nc1ccccc1OC)C(=O)O 8702789 IUJKCJVUAUWELO-SNVBAGLBSA-N 223.272 2.360 0 40 BEAB CCC[C@@H](Oc1ccccc1F)C(=O)O 8730631 KULAXTWCZKMQBG-SNVBAGLBSA-N 212.220 2.458 0 40 BEAB Cc1ccnc(-n2c(C)ccc2C=O)c1 9261684 NICZYGNKAUAWJI-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB O=C(O)Cc1scnc1-c1cccs1 11847791 OMHIDWGLBZERPL-UHFFFAOYSA-N 225.294 2.499 0 40 BEAB CCOc1cccnc1Br 14982247 REVXDUVZKACDQT-UHFFFAOYSA-N 202.051 2.243 0 40 BEAB in-vitro Cc1cccnc1NC(=O)c1ccccc1O 15108607 OXXQBRDFSLHNQE-UHFFFAOYSA-N 228.251 2.348 0 40 BEAB CC(C)C[C@@H](C)NCc1nnc2ccccn12 20185423 PKTFZMIDUGTINQ-LLVKDONJSA-N 232.331 2.254 0 40 BEAB Nc1ccc(Cl)c(NC(=O)C2CC2)c1 20343030 NOVUWCLIVVWLQI-UHFFFAOYSA-N 210.664 2.271 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 25768057 ZTPUEFLZJJXUPA-BQBZGAKWSA-N 222.313 2.226 0 40 BEAB CCOc1cccc(C(=O)Nc2nonc2C)c1 27663014 VQEFRZWBWPYTEH-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB CCCCNC(=O)c1cc(F)ccc1F 28210734 ZJSFQQYNFGQSRX-UHFFFAOYSA-N 213.227 2.495 0 40 BEAB Cc1n[nH]cc1CN[C@H]1CCc2ccccc21 37878788 YPRXJYOHGHDTGF-AWEZNQCLSA-N 227.311 2.495 0 40 BEAB C[C@H](CNc1nc2ccccc2o1)N(C)C 37985913 DPUPPBGNKJVYEF-SECBINFHSA-N 219.288 2.190 0 40 BEAB Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)on1 39981952 OXHVFSIBEPDKFY-SECBINFHSA-N 234.255 2.375 0 40 BEAB O=C(C[C@H]1C=CCC1)NCc1ccco1 40465270 AMAGZYZORFFDSF-JTQLQIEISA-N 205.257 2.252 0 40 BEAB CC(=O)N1CCC[C@H]1Cc1ccccc1 42026311 KABXUVJKLGJJGA-ZDUSSCGKSA-N 203.285 2.240 0 40 BEAB CC(C)OCCCNC(=O)c1ccccc1 42236262 DKDXLVHEUJHCDI-UHFFFAOYSA-N 221.300 2.232 0 40 BEAB COc1ccccc1[C@H](N)c1ccco1 43607202 CGACMEIJSCCYLJ-LBPRGKRZSA-N 203.241 2.336 0 40 BEAB in-vitro CNC(=O)c1ccc(-c2ccccc2F)o1 47339960 ATUIFMWSMGJFML-UHFFFAOYSA-N 219.215 2.445 0 40 BEAB CC(C)N(CCCO)Cc1ccccc1F 50105461 VWAGGVCUICCEFC-UHFFFAOYSA-N 225.307 2.419 0 40 BEAB Cc1ccc(C)c(-n2cnc(C(=O)O)c2)c1 50225912 BEOVADCJOBBHEP-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB COc1ccc(C)cc1[C@@H](O)c1ccccn1 55262815 LJKOBDOALNOJQD-CQSZACIVSA-N 229.279 2.480 0 40 BEAB CC[C@](C)(O)CNC(=O)Nc1ccccc1F 58195875 FGOVMOGIAASPAP-LBPRGKRZSA-N 240.278 2.108 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 58264748 KMEOZQHYWHCJLU-JQWIXIFHSA-N 245.326 2.276 0 40 BEAB CCOC(=O)CN1CCCC[C@@H]1c1cccnc1 61989697 KXYPOEDEFIOOHR-CYBMUJFWSA-N 248.326 2.172 0 40 BEAB biogenic Cc1ccccc1[C@@](C)(CN)N1CCCC1 70453396 MMOFUEINCYYSKT-CQSZACIVSA-N 218.344 2.265 0 40 BEAB C[C@H](c1cccs1)N(C)C(=O)Cn1cccn1 73025458 LIKRKPOJWDCVLF-SNVBAGLBSA-N 249.339 2.164 0 40 BEAB CNC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 75772270 WSABCMHCIKCUJB-STQMWFEESA-N 232.371 2.362 0 40 BEAB in-vitro Brc1cc2c(s1)CNCC2 82368779 IVDAGVOKDYOWPT-UHFFFAOYSA-N 218.119 2.156 0 40 BEAB in-vitro COc1ccc(F)c(NCc2cc[nH]n2)c1 87287009 LMHFAUWFYCKCPT-UHFFFAOYSA-N 221.235 2.170 0 40 BEAB CCc1ccc([C@H](C)NC[C@H](C)[S@](C)=O)o1 90842739 ALJKWCWQVGRCRA-XQJJYNOISA-N 243.372 2.260 0 40 BEAB NNc1ccc(C(F)(F)F)c(C(F)(F)F)n1 91252253 UDNQNYWFUKOAKZ-UHFFFAOYSA-N 245.126 2.405 0 40 BEAB C[C@H]1CC(C)(C)c2ccccc2N1CC(N)=O 96002347 IIMMDKRWBBNXCS-JTQLQIEISA-N 232.327 2.048 0 40 BEAB c1c2c(nn1C1CCCC1)C[C@@H]1CC[C@H]2N1 96510254 MNUNPCMEPFJAOI-JOYOIKCWSA-N 217.316 2.347 0 40 BEAB CC(C)(C)c1[nH]c(=O)c(C(=O)O)cc1Cl 96517584 OFEPUTOFIVATTH-UHFFFAOYSA-N 229.663 2.024 0 40 BEAB NC(=O)C(=S)Nc1c(Cl)cccc1Cl 98175490 SUWDWHLUGHIITN-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB CN1[C@@H]2CC[C@@H]1c1cc(C=O)sc1C2 110751502 OMTQBRDPPGWNJD-GMSGAONNSA-N 207.298 2.252 0 40 BEAB CCc1ccc(CC(=O)NC(C)C)cc1 158008496 DWKJPYWQBXNOOB-UHFFFAOYSA-N 205.301 2.316 0 40 BEAB CCOC(=O)CCC1CCC2(CC1)OCCO2 167056496 NOPBTMWPSRPLEH-UHFFFAOYSA-N 242.315 2.263 0 40 BEAB COc1nc(OC)c(Br)cc1C 196666942 VLXSGRKTSHGPOP-UHFFFAOYSA-N 232.077 2.170 0 40 BEAB COC(=O)C1=CCCCN1Cc1ccccc1 217466493 GJTQRQUBGZBXGN-UHFFFAOYSA-N 231.295 2.339 0 40 BEAB CCOC(=O)[C@H]1CNc2c(C)cccc2C1 217524927 TVIZTVFLSACDBB-LLVKDONJSA-N 219.284 2.142 0 40 BEAB CC1=Nc2c(C)cccc2[C@H](OCC(N)=O)C1 227148440 KQELLQJMBPHAOX-LLVKDONJSA-N 232.283 2.034 0 40 BEAB COc1cc(O)ccc1OC(F)(F)F 238397221 WXJSKOYXPZSRQG-UHFFFAOYSA-N 208.135 2.299 0 40 BEAB CCn1cc(NCc2ccnn2CC(C)C)cn1 256051458 JGDOERDLERAGJH-UHFFFAOYSA-N 247.346 2.368 0 40 BEAB COc1cc(N)ccc1OC[C@@H](O)C(C)(C)C 256051690 KEBJLOXIRPSOQH-GFCCVEGCSA-N 239.315 2.063 0 40 BEAB CC(C)(C)OC(=O)N1CC=CC(F)(F)C1 307636936 VJKOSCYGPGLZJU-UHFFFAOYSA-N 219.231 2.429 0 40 BEAB FC(F)Cn1ccc(COCC(F)(F)F)n1 408715932 GXAXIIMPTMARBF-UHFFFAOYSA-N 244.163 2.227 0 40 BEAB CC(=O)N[C@@H]1c2ccccc2N(C(C)=O)C1(C)C 876339371 UNCRLOFMGHZXNB-CYBMUJFWSA-N 246.310 2.009 0 40 BEAB FC(F)(F)CN1CC(OCc2ccccc2)C1 1202008012 ANPYNYQKHNOSCB-UHFFFAOYSA-N 245.244 2.450 0 40 BEAB Cc1ccc2nc(N3CC[C@H](O)C3)sc2c1 1889101244 ZKNASHCLCTXGRY-VIFPVBQESA-N 234.324 2.176 0 40 BEAB CC(=O)NCCc1c(F)cccc1Cl 140197 WWXZFVXLWBPAHE-UHFFFAOYSA-N 215.655 2.158 0 40 BEAB CCC[C@@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 345811 CUTUPAFHGKKFBU-VXGBXAGGSA-N 247.294 2.357 0 40 BEAB C[C@H](Nc1nc2ccccc2s1)C(=O)O 4218364 UCKLRJLHKVCNAU-LURJTMIESA-N 222.269 2.181 0 40 BEAB in-vitro Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1F 6586385 OWMRBISUUIJNSA-NSHDSACASA-N 223.247 2.252 0 40 BEAB Cc1noc(-c2ccccc2)c1CCO 6825026 CTRGNEVRQGHWCZ-UHFFFAOYSA-N 203.241 2.185 0 40 BEAB Cc1c(N)cccc1C(=O)N1CCC[C@H](C)C1 8703644 SAAFPXCJLMKXFD-JTQLQIEISA-N 232.327 2.449 0 40 BEAB O=C(O)C[C@H](NC(=O)C1CCC1)c1ccccc1 13224079 RDQVPBLHVFAFNT-LBPRGKRZSA-N 247.294 2.119 0 40 BEAB NCCc1ccc(F)c(Br)c1 19279330 AOOQMNQPSNSYBJ-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB CC(C)(C)c1ccc(N2C[C@H](CN)OC2=O)cc1 19669084 GDUQMACHIQRBPH-LBPRGKRZSA-N 248.326 2.268 0 40 BEAB O=C(O)Cc1ccc(OCc2ccccn2)cc1 19843618 VBVVCMQQQFYMMJ-UHFFFAOYSA-N 243.262 2.288 0 40 BEAB Cc1cccc(CNc2cnn(C)c2)c1 20350261 WJSCDRHHTWGFOK-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB O=C(c1cccc2cccnc12)N1CCC1 24045878 HFUJFIFDJUECBK-UHFFFAOYSA-N 212.252 2.081 0 40 BEAB CC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 32753381 XLBFAHVAXAGDBO-UHFFFAOYSA-N 246.354 2.420 0 40 BEAB Cc1c[nH]cc1C(=O)NCCc1ccc(F)cc1 32926708 VNTFUCQZBNZZLH-UHFFFAOYSA-N 246.285 2.435 0 40 BEAB CC(C)n1c2ccccc2n2cnnc12 33373814 WXDXCFAKNVWSHZ-UHFFFAOYSA-N 200.245 2.265 0 40 BEAB CN(C)c1ccc(-n2cccc2C(=O)O)cc1 36335748 VTGOKFBVUXWICA-UHFFFAOYSA-N 230.267 2.242 0 40 BEAB COCCCNC(=O)c1ccc2c(c1)CCCC2 40464638 ZMJSTJONLXQRIR-UHFFFAOYSA-N 247.338 2.332 0 40 BEAB CC[C@@H]1CCCN(C(=O)CSCCOC)C1 40514177 OLIYDUGGFVIBDJ-LLVKDONJSA-N 245.388 2.015 0 40 BEAB CC[C@H](C)NC(=O)N[C@@H](C)c1ccccn1 47576749 VNVNGBCISLEPMA-UWVGGRQHSA-N 221.304 2.240 0 40 BEAB C[C@@H](Cn1ccc2ccccc21)C(=O)O 57531604 VZRQCALDRRWTLU-VIFPVBQESA-N 203.241 2.362 0 40 BEAB in-vitro C[C@H](C1CC1)N(C)C(=O)CSC(F)(F)F 58266627 VVIWXMAHNPFCNU-ZCFIWIBFSA-N 241.278 2.496 0 40 BEAB O=C(OCc1ccccc1)C1CCOCC1 59683242 RXYRKEYNYDYBOQ-UHFFFAOYSA-N 220.268 2.156 0 40 BEAB in-vitro CC(C)c1cccc2c1OCC[C@@H](N)C2=O 62626081 WCXCDHZTGKZZSO-LLVKDONJSA-N 219.284 2.103 0 40 BEAB Cc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1 69350170 KGJOHNSXOZOXDX-CQSZACIVSA-N 246.354 2.048 0 40 BEAB CCN(C1CC1)S(=O)(=O)c1ccc(C)s1 69351454 CTALQAYONJRNHR-UHFFFAOYSA-N 245.369 2.230 0 40 BEAB COc1ccc(SCC(=O)N2CCC2)cc1 69351542 RAUYFNPBKSRJKN-UHFFFAOYSA-N 237.324 2.020 0 40 BEAB CNCc1cc(OC)c(OC)cc1SC 70038102 MDGZZRGMXCAYAE-UHFFFAOYSA-N 227.329 2.145 0 40 BEAB in-vitro C[C@H]1CN(C(=O)C[C@H](C)CC(C)(C)C)CCN1 71978900 MAIZCWMVHAYQEK-RYUDHWBXSA-N 240.391 2.269 0 40 BEAB CC(C)[C@H](C)Oc1ccccc1[C@@H](O)CN 72220131 ITGCVAJWXCSFHD-JQWIXIFHSA-N 223.316 2.102 0 40 BEAB COC(=O)c1occc1COc1ccc(C)cn1 75077139 SITBAXZTBHFZRS-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB CN(C[C@H]1CCOC1)c1cnc2ccccc2n1 79017279 LFWRFYAVLYVUGN-LLVKDONJSA-N 243.310 2.103 0 40 BEAB CC(C)c1nsc(Br)n1 83669854 HPJOCIBAPMQHBN-UHFFFAOYSA-N 207.096 2.424 0 40 BEAB in-vitro O=C1C[C@@H](C(F)(F)F)Cc2nc(S)ncc21 85399237 RZKCUYXKMGOUKV-BYPYZUCNSA-N 248.229 2.073 0 40 BEAB COC(=O)[C@@]1(C)O[C@]1(C)c1ccc(C)s1 85657905 KYRMNCDKAOXDCD-GHMZBOCLSA-N 226.297 2.234 0 40 BEAB Cc1cc(N)ncc1-c1ccc2c(c1)OCCO2 94064296 YVWZXKGFTOWWCD-UHFFFAOYSA-N 242.278 2.410 0 40 BEAB CN(CCN)Cc1cccc(C(F)(F)F)c1 96319871 ZLPHPPZVUCPTEZ-UHFFFAOYSA-N 232.249 2.096 0 40 BEAB CCc1ccc(CN[C@@H](C)CCn2cncn2)o1 97015225 LDIFBCXPCLWOJR-NSHDSACASA-N 248.330 2.002 0 40 BEAB O=C(Oc1ccco1)[C@H]1C[C@H]2C=C[C@H]1C2 100041785 CCLAJCJBGWIVGQ-GUBZILKMSA-N 204.225 2.397 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@@]1(O)C[C@@H]2CC[C@@H]1C2 101154099 HWEQFXDONYYPNJ-IKVITTDRSA-N 246.306 2.406 0 40 BEAB Cc1nc(C2=C(O)CN(C3CC3)C2=N)sc1C 102727324 FZWPUQZVXRPLGS-UHFFFAOYSA-N 249.339 2.484 0 40 BEAB CC(=O)Oc1ccc(C(=O)C2CC2)cc1 165493214 TXPWMRIULRAPFI-UHFFFAOYSA-N 204.225 2.205 0 40 BEAB C[C@@H]1O[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](N)[C@@H]2[C@@H]1C 225763235 CZVKMVVAGFXBBQ-RZOIJWCNSA-N 237.265 2.326 0 40 BEAB CCn1cc(CNc2cc(C)nn2CC)cn1 256050652 FZVJTENETUHQME-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB CC[C@H](C)n1nccc1CNc1cnn(C)c1 256054860 YBXUDQCTVQRDLM-JTQLQIEISA-N 233.319 2.200 0 40 BEAB CC(C)[C@H]1CCN1C(=O)CCc1cccnc1 537250395 DOBPZYHLGVIKIY-CYBMUJFWSA-N 232.327 2.271 0 40 BEAB Cc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)c(C)c1 2390454 WTDGOGLHWOAHSL-GHMZBOCLSA-N 237.324 2.092 0 40 BEAB in-vitro Cn1ncc2c(Nc3cccc(F)c3)ncnc21 8583110 GMVNHVGENKTXOC-UHFFFAOYSA-N 243.245 2.246 0 40 BEAB N[C@@H]1CCCc2cc(Cl)ccc2[C@H]1O 8699466 VVEBJLSVIQAOJM-GHMZBOCLSA-N 211.692 2.037 0 40 BEAB CC(C)(C)c1ccc(C(=O)Nc2nc[nH]n2)cc1 13118641 QTWFVXYPXUVZHJ-UHFFFAOYSA-N 244.298 2.355 0 40 BEAB O=C(O)[C@H]1C[C@@H](c2ccccc2)CC[C@H]1C(=O)O 13857453 LDLKSTRLCYRBDW-TUAOUCFPSA-N 248.278 2.356 0 40 BEAB Cc1cc(C)c(C(=O)CSC(=N)N)c(C)c1 17299978 KYNFPEYSJQTMMW-UHFFFAOYSA-N 236.340 2.421 0 40 BEAB OCCCOc1cccc(Br)c1 19786139 LJACQNZRKNJEHV-UHFFFAOYSA-N 231.089 2.210 0 40 BEAB in-vitro O=C(O)CCNC(=O)c1ccc2ccccc2c1 20282125 UWCKYMSSNVSTQI-UHFFFAOYSA-N 243.262 2.044 0 40 BEAB C[C@H]1C[C@@H](C)CN(c2ncccc2N)C1 20317216 CWNKGXSVOUKHTA-AOOOYVTPSA-N 205.305 2.146 0 40 BEAB COC(=O)Cc1cc(Cl)ccc1OC 21298840 OVGRIOOMEGDJHE-UHFFFAOYSA-N 214.648 2.064 0 40 BEAB Cc1nn2cc(-c3ccc(Cl)cc3)cc2n1N 27526323 RZHWGUWEOBKIIN-UHFFFAOYSA-N 246.701 2.478 0 40 BEAB CC(C)(C)OC(=O)N[C@H](CO)CC1CCC1 34566740 YAYOAQZEBASQLZ-JTQLQIEISA-N 229.320 2.062 0 40 BEAB in-vitro Fc1cccc(Cc2nnc(S)o2)c1 34964286 UHUDFMJJWGZYNS-UHFFFAOYSA-N 210.233 2.088 0 40 BEAB CCN(CC)CCCNC1CCSCC1 35120804 FBWXXFVBCMWIBH-UHFFFAOYSA-N 230.421 2.204 0 40 BEAB C/C=C/C=C/C(=O)NCc1cccc(OC)c1 36398009 GEUVNHGTGJVVBK-PRKJJMSOSA-N 231.295 2.444 0 40 BEAB C[C@H](Cn1cccn1)N[C@H](C)c1cccc(O)c1 37155674 YRANGHNXZONNPF-VXGBXAGGSA-N 245.326 2.328 0 40 BEAB CC(C)CCNc1ccc(N)cc1C(=O)O 37930383 WWHSQCUBANCZFK-UHFFFAOYSA-N 222.288 2.425 0 40 BEAB COC[C@H](C)NCc1cc(C)cc(C)c1 37978636 PRUFVHVCVXFJHX-LBPRGKRZSA-N 207.317 2.428 0 40 BEAB O=C(CSCc1cccs1)NC1CC1 40162088 NAVQBQMLHCJGAD-UHFFFAOYSA-N 227.354 2.260 0 40 BEAB Cc1ccc(CNC[C@H]2CCCNC2)cc1 41231969 AVLMHCPWRDCAQY-AWEZNQCLSA-N 218.344 2.084 0 40 BEAB N[C@H]1CCCN(c2ccccc2Cl)C1 43470578 DGFJEBDWXHVROC-VIFPVBQESA-N 210.708 2.268 0 40 BEAB in-vitro Cc1ccc(CC(=O)Nc2nc(C)cs2)cn1 44972518 QPAYPUAOBVIZBO-UHFFFAOYSA-N 247.323 2.336 0 40 BEAB CC(=O)N1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 72218614 XDEJSNXRFFOUDJ-CYBMUJFWSA-N 247.342 2.139 0 40 BEAB Cc1cccc(NC(=O)[C@H]2CCCCCN2)c1 83896442 VNAAVDLEBQNDPT-CYBMUJFWSA-N 232.327 2.466 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1=O 95090620 WTHLCGOZBTXTTE-IUCAKERBSA-N 227.304 2.078 0 40 BEAB in-vitro N[C@@H](CCc1cc(Cl)cc(Cl)c1)C(=O)O 95749228 KGZBOALXMBRBMM-VIFPVBQESA-N 248.109 2.338 0 40 BEAB CC(C)[C@@](C)(O)CNC(=O)/C=C/c1ccccc1 96441127 QSRGEKPTMAIQEZ-FEAKQIBJSA-N 247.338 2.223 0 40 BEAB Cc1nc2c(C(=O)O)cc(Cl)cc2[nH]1 108324396 XHAIAECRXLKZMJ-UHFFFAOYSA-N 210.620 2.223 0 40 BEAB C[C@@H]1CCC[C@@H](CS[C@H](C)C(N)=O)C1 108328162 IWXFFWPZXPAOCY-OPRDCNLKSA-N 215.362 2.420 0 40 BEAB CCc1cc(N)ccc1N1C[C@H](C)O[C@H](C)C1 226315812 RYQXNSFJTNQCGL-PHIMTYICSA-N 234.343 2.445 0 40 BEAB N[C@@H](CC(=O)O)Cc1cc(Cl)cc(Cl)c1 238634843 KCWUZNRWYWKZMO-SECBINFHSA-N 248.109 2.338 0 40 BEAB c1nn[nH]c1S[C@H]1CCOC2(CCCC2)C1 521395160 RVSKDTXUNHYMEC-VIFPVBQESA-N 239.344 2.389 0 40 BEAB Cn1ncc2c1C[C@@H](C(F)(F)F)CC2 575424776 MTHIZHMYPANFHN-ZETCQYMHSA-N 204.195 2.087 0 40 BEAB COC(=O)C12CCC(Br)(CC1)C2 669370255 DHCYBMNKIWCNQV-UHFFFAOYSA-N 233.105 2.257 0 40 BEAB NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O 1538582896 ZVCSPLBHSYGCGW-UHFFFAOYSA-N 248.669 2.207 0 40 BEAB Cn1ccnc1CSC1(O)CCCCC1 343549 LGNGQDBLLAJWHX-UHFFFAOYSA-N 226.345 2.306 0 40 BEAB Cc1ccc(NC(=S)NC(=O)C2CC2)cc1 503059 DZBGFAGUIRJAMQ-UHFFFAOYSA-N 234.324 2.218 0 40 BEAB CCOC(=O)CCC1(C)OCC(C)(C)CO1 1685643 CPLYTBMXOBLDMZ-UHFFFAOYSA-N 230.304 2.119 0 40 BEAB NCCCCCc1nc2ccccc2[nH]1 2568410 XTJRXHPNZGDOGE-UHFFFAOYSA-N 203.289 2.234 0 40 BEAB in-vitro Clc1nc(N2CCOCC2)c2ccccc2n1 3219793 NJBDGZVAZRMIFM-UHFFFAOYSA-N 249.701 2.120 0 40 BEAB C1CC[C@H]2C[C@H](NC3=NCCO3)CC[C@@H]2C1 5046318 GEUSRXMGTZSERI-SDDRHHMPSA-N 222.332 2.321 0 40 BEAB Cn1nnc2c(Nc3ccccc3)nccc21 5337986 JQXYKPWEWZQQSS-UHFFFAOYSA-N 225.255 2.107 0 40 BEAB O=C(Nc1ccccn1)[C@@H]1C[C@H]2CC[C@@H]1C2 5391122 ICUGUWHKSGQUFZ-HBNTYKKESA-N 216.284 2.456 0 40 BEAB COc1ccc([C@]23CCC(=O)N2CCS3)cc1 6003929 XXNJQBWEJWUSNM-CYBMUJFWSA-N 249.335 2.217 0 40 BEAB CCCCn1ccnc1[C@@H](O)C(F)(F)F 8132976 XZIZSQIAXRVGKW-SSDOTTSWSA-N 222.210 2.279 0 40 BEAB CC1CCN(C(=O)[C@H](C)N2CCCCC2)CC1 12911876 FGHSNDROTIIEOC-ZDUSSCGKSA-N 238.375 2.119 0 40 BEAB c1cnc2c(O[C@H]3CCCNC3)cccc2c1 14631803 PVTJSCGZTCOODV-LBPRGKRZSA-N 228.295 2.366 0 40 BEAB CCCCNC(=O)c1cc(N)ccc1OCC 20155781 IBBYVQOZFFRLHS-UHFFFAOYSA-N 236.315 2.197 0 40 BEAB CCOC(=O)c1coc(-c2cccc(N)c2)n1 26896554 IYMMHVKKUAJPHJ-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB C[C@@H](NC(=O)c1ccc(F)cc1)c1cnn(C)c1 28574061 GUCPFYXMBPHRQE-SECBINFHSA-N 247.273 2.050 0 40 BEAB CCCc1ccc(NC(=O)Cn2ccnc2)cc1 32860176 YYWVSDHVSGMYHY-UHFFFAOYSA-N 243.310 2.474 0 40 BEAB CC(C)(C)c1c[nH]c([C@@H]2CCCNC2)n1 36876493 XHHAAZCVMGMFLR-SECBINFHSA-N 207.321 2.174 0 40 BEAB CC(C)[C@H](CC(=O)O)NCc1ccccc1 38386984 CRGHGHLMEXVSAO-LBPRGKRZSA-N 221.300 2.276 0 40 BEAB in-vitro C[C@H](NC(=O)[C@H]1COc2ccccc2C1)C1CC1 39527612 LZWVPAOYWQMHDQ-GXFFZTMASA-N 245.322 2.152 0 40 BEAB CCOc1cc(C=O)c2c(c1)C[C@@H](C)O2 39947657 FKJFDKPQBHBNIH-MRVPVSSYSA-N 206.241 2.221 0 40 BEAB CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 39975614 MENJPNFMXZSQHP-CQSZACIVSA-N 246.354 2.209 0 40 BEAB Nc1noc2cccc(OCC3CC3)c12 40449388 ZYRQIHGJLKHVDB-UHFFFAOYSA-N 204.229 2.199 0 40 BEAB CC(C)=CC(=O)N(C)Cc1nccn1C(F)F 40497067 NKJAHXMEIVZCQL-UHFFFAOYSA-N 243.257 2.203 0 40 BEAB CC(=O)[C@H]1C[C@@H](c2ccccc2F)OC1=O 57514566 KGMZWPTZZONMOU-KOLCDFICSA-N 222.215 2.019 0 40 BEAB C[C@@H]1CCCC[C@]1(N)CNC(=O)OC(C)(C)C 60279998 UTCOPBUSXKFUTP-MFKMUULPSA-N 242.363 2.419 0 40 BEAB in-vitro CCc1nc(CCNc2cccc(F)c2)n[nH]1 62719120 MVGVFAKNNFTHGK-UHFFFAOYSA-N 234.278 2.161 0 40 BEAB Cc1ccc(CN(CC(=O)O)CC(C)C)o1 62743356 LCOQLGOKHHTXQD-UHFFFAOYSA-N 225.288 2.131 0 40 BEAB C[C@@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 65588430 GCIQHIQUPIODHG-SNVBAGLBSA-N 236.290 2.106 0 40 BEAB CCC(=O)N1CCCC[C@H]1c1nccc(C)n1 72187600 XAZDHFMYCRAMMS-NSHDSACASA-N 233.315 2.249 0 40 BEAB COC(=O)c1c(Br)cnn1C(C)C 75852394 WCTUYVOIFBZDBW-UHFFFAOYSA-N 247.092 2.013 0 40 BEAB O=C(O)CNc1ccnc2c(Cl)cccc12 82087388 YWNYMTPIRVRWAK-UHFFFAOYSA-N 236.658 2.385 0 40 BEAB COc1ccc(F)cc1C1([C@H](C)O)CC1 84390279 CLCUVKQVWXUTAE-QMMMGPOBSA-N 210.248 2.247 0 40 BEAB CC(C)(N)c1cccc(OC(F)F)c1 89262719 HJZAQAHGCFEZHJ-UHFFFAOYSA-N 201.216 2.482 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1cc(C2CCC2)nn1C 89921936 OIAWQAVYYZVPQJ-WCBMZHEXSA-N 233.315 2.282 0 40 BEAB C[C@H](CSC(C)(C)C)NCc1ccnn1C 95420177 UIRCCSAIFXRONA-SNVBAGLBSA-N 241.404 2.430 0 40 BEAB COc1ccc(F)cc1[C@H](O)c1cccn1C 95727797 AGLJMPSWNXEVFH-ZDUSSCGKSA-N 235.258 2.255 0 40 BEAB Cc1noc(NCc2ccccc2C)n1 95976660 CPAJIWIVPJWODM-UHFFFAOYSA-N 203.245 2.299 0 40 BEAB C[C@H](CC(=O)c1ccco1)NC(=O)c1ccoc1 96469153 NQJWKPJZFOIUEU-SECBINFHSA-N 247.250 2.264 0 40 BEAB CC(C)CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C 97165779 GCKZJHBQLYDXAO-VXGBXAGGSA-N 242.363 2.003 0 40 BEAB OC1=C(C2=NCCN2)CC/C1=C/c1ccco1 98054102 CIDKCCRMGGBCIM-HJWRWDBZSA-N 230.267 2.271 0 40 BEAB O=C(c1cccnc1Cl)N1C[C@@H]2CC[C@@H]1C2 100150641 JUHZQALPQSXQCG-RKDXNWHRSA-N 236.702 2.360 0 40 BEAB C[C@H](NN)c1ccccc1OC(F)(F)F 161804332 GDKPLLBLNVYRMV-LURJTMIESA-N 220.194 2.110 0 40 BEAB Cc1cc(NCc2ccnn2C(C)C)n(C)n1 256050285 DMEAWYXAUCXIPY-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CCCn1nccc1CNCc1cccc(O)c1 256050905 GYCYUUAFHQZXFI-UHFFFAOYSA-N 245.326 2.289 0 40 BEAB Cc1ccc(OCCCN2CCCC2)cn1 256053283 QVYQJJYELPDFRK-UHFFFAOYSA-N 220.316 2.255 0 40 BEAB COc1cc(C(=O)C(F)F)cc(F)c1F 389374984 NXLLIXPUKXFVAV-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB Cn1ccc2cnc(Br)cc21 575432131 IAULVAVFEUKSLM-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB CCOc1nc2cccc(OC)c2cc1N 685937034 IAWNBHUXZOHPOK-UHFFFAOYSA-N 218.256 2.224 0 40 BEAB OC[C@@H]1CCC2(CC2)N1Cc1ccccc1 2362801440 FPABUFUUOMDION-ZDUSSCGKSA-N 217.312 2.176 0 40 BEAB CC(C)(C)NC(=O)c1cc2ccccc2oc1=O 166967 WJVGPUXVQPSDBJ-UHFFFAOYSA-N 245.278 2.321 0 40 BEAB C[C@@H](NC(=O)c1cccnc1)c1ccc(O)cc1 1445999 PEHOGPOHBDJGKN-SNVBAGLBSA-N 242.278 2.278 0 40 BEAB c1ccc2c(OCC3=NCCN3)cccc2c1 1608866 REQHONMNWKPBNA-UHFFFAOYSA-N 226.279 2.220 0 40 BEAB CCCCCC[C@H]1OC[C@H](COC(C)=O)O1 1672407 QNPVAETYSCEUQX-RYUDHWBXSA-N 230.304 2.261 0 40 BEAB Cc1cc2ncccc2c2nc(N)n(C)c12 1850165 GMGWMIJIGUYNAY-UHFFFAOYSA-N 212.256 2.012 0 40 BEAB endogenous,in-man CCOC(=O)c1ccc(NC2CCNCC2)cc1 2513005 QPXQXQMXTZTVFA-UHFFFAOYSA-N 248.326 2.027 0 40 BEAB Cn1nccc1CNc1ccc(F)cc1F 2536395 NBBSEYGQXMLXOL-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB O=C(c1cccc2ccccc12)N1CCOCC1 3058129 FEMQUQKOEUMPIA-UHFFFAOYSA-N 241.290 2.312 0 40 BEAB CCc1cc2c(cc1C(C)=O)OCCO2 4837611 UGYDYLPULMLTRH-UHFFFAOYSA-N 206.241 2.223 0 40 BEAB CNC(=O)Cc1c(Cl)cccc1Cl 5171871 FCYHXJCZFCNCRE-UHFFFAOYSA-N 218.083 2.282 0 40 BEAB Cc1cc2c(=O)c(-c3ccon3)coc2cc1O 6203330 HRSQEBSHGZQJBV-UHFFFAOYSA-N 243.218 2.462 0 40 BEAB C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 12978818 IOQQRVCYVKASMZ-FZMZJTMJSA-N 245.322 2.249 0 40 BEAB CN(C)c1nc2c3cccnc3ccc2n1C 13282305 UWIKYLLSLVQQIG-UHFFFAOYSA-N 226.283 2.188 0 40 BEAB in-vitro Cc1ccccc1C1=N[C@H]2C=NN=C2S1 17957914 NPFYVVGHJFHKOG-VIFPVBQESA-N 215.281 2.255 0 40 BEAB CCOC(=O)c1ccc2c(c1)CCCN2 19722821 LKGHZFXEHLTUII-UHFFFAOYSA-N 205.257 2.221 0 40 BEAB in-vitro CCc1ccc(-c2noc([C@H](C)N)n2)cc1 19785451 CDRBKBSMQVZNPZ-QMMMGPOBSA-N 217.272 2.319 0 40 BEAB in-vitro COc1ccc(NC2CCN(C(C)C)CC2)cn1 19877591 ACHUCEVRFDKRDY-UHFFFAOYSA-N 249.358 2.375 0 40 BEAB CC(C)CNC(=O)Cc1cccc(F)c1 19934856 ZAXUJJZOAGHCHO-UHFFFAOYSA-N 209.264 2.140 0 40 BEAB O=C(O)c1ccn(-c2ccccc2Cl)n1 26514888 XVUVNZVHZHYLFI-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro Cc1ccc(C(=O)N2CCO[C@H](C)C2)c(C)c1 32865151 WWCGAYDRLCTDNR-GFCCVEGCSA-N 233.311 2.164 0 40 BEAB OCCc1ccc(NCc2ccco2)cc1 40737907 RJRIXBNZVJHKPL-UHFFFAOYSA-N 217.268 2.427 0 40 BEAB C[C@@H](C(=O)O)[C@@H](N)c1ccc(Cl)cc1 44396308 AXYXMBPSIPRCSF-HZGVNTEJSA-N 213.664 2.061 0 40 BEAB CCONC(=O)CCc1ccc(CC)cc1 44891605 GGHNEQFNNUKMAZ-UHFFFAOYSA-N 221.300 2.249 0 40 BEAB CC(C)[C@H](C)NCCC(=O)OC(C)(C)C 47218968 WUBNFVTVTRIVDK-JTQLQIEISA-N 215.337 2.352 0 40 BEAB Cc1ccc(C(=O)CCC(=O)N(C)C)cc1 47651500 UCHIPYQVWBWPIH-UHFFFAOYSA-N 219.284 2.046 0 40 BEAB in-vitro C[C@H](NS(C)(=O)=O)c1cccc2ccccc12 48331654 KGELUNWPWFIDQZ-JTQLQIEISA-N 249.335 2.450 0 40 BEAB OCC1(NCCc2ccccc2)CCCC1 53044466 WHYNFQHRHRMPBX-UHFFFAOYSA-N 219.328 2.124 0 40 BEAB in-vitro CCOc1ccccc1[C@H]1C[C@H]1CNC 54588683 RIUBOBWEODBZEH-JQWIXIFHSA-N 205.301 2.408 0 40 BEAB C[C@@](O)(CNC(=O)Nc1cccs1)C1CC1 62021795 UDNSKGPBZUVEAB-LLVKDONJSA-N 240.328 2.031 0 40 BEAB CCCCC[C@H](C)NC(=O)[C@H]1CCOC1 69314098 SRRBAGXXJFANTJ-QWRGUYRKSA-N 213.321 2.108 0 40 BEAB CCC[C@@H](C)[C@@](CC)(C(=O)O)C(=O)OCC 71621737 ICUDBEZIRXXJAE-SKDRFNHKSA-N 230.304 2.467 0 40 BEAB COC[C@H](C)NC(=O)C1(c2cccc(C)c2)CC1 71822609 JZLLJLYVOHOPHQ-LBPRGKRZSA-N 247.338 2.178 0 40 BEAB OCCC[C@H]1CCCN1[C@@H]1C=CCCC1 71904885 PRYVHGSYKFMAOV-CHWSQXEVSA-N 209.333 2.332 0 40 BEAB CC(C)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 72203599 FGWZXFPNZRIDFK-LLVKDONJSA-N 242.363 2.241 0 40 BEAB NCC1(c2cc(-c3ccccc3)on2)CC1 72220679 PBMFXBJAOIJYHH-UHFFFAOYSA-N 214.268 2.332 0 40 BEAB COCCN(C)[C@@H](C)Cc1ccccc1OC 75895959 OQFLTOMBCVRIKK-LBPRGKRZSA-N 237.343 2.204 0 40 BEAB CC1(C)COc2ccc(C=O)cc2OC1 76640306 ISZYZCAEQAXLBG-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB COC[C@@H](NC[C@H]1CCCS1)C(C)C 87668209 PTMINOOBNNPDIH-GHMZBOCLSA-N 217.378 2.143 0 40 BEAB Cc1ccnc(N(C)Cc2ccc(O)cc2)n1 89635104 XDRKDSUVDXJCRT-UHFFFAOYSA-N 229.283 2.127 0 40 BEAB CC(C)N(C[C@@H](C)O)C(=O)C1CCCCC1 95432288 ZXEHIIMRNADFIM-LLVKDONJSA-N 227.348 2.185 0 40 BEAB CCOC(=O)[C@H](C)Cc1cc(F)c(O)c(F)c1 95629382 REZNQKBGCOTNER-SSDOTTSWSA-N 244.237 2.412 0 40 BEAB Cc1cnc2c(Cl)nc(Cl)cn12 95830750 CYEZCRMFBXFBKI-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB COCn1cc(C)c2c(Cl)c(C=O)cnc21 95937277 SFQJPIVRPNPGLF-UHFFFAOYSA-N 238.674 2.415 0 40 BEAB Nc1cccc([C@@H]2NC(=O)c3ccccc3O2)c1 96191921 UYZVGBJHJAVAJK-CQSZACIVSA-N 240.262 2.090 0 40 BEAB CCOc1cc(C(=O)O)c(Cl)cc1OC 113408307 OZSLRUFBOCCCOJ-UHFFFAOYSA-N 230.647 2.446 0 40 BEAB FC(F)(F)c1ccccc1C[C@@H]1CNCCO1 116503467 NQQMONYJRRXYEH-SNVBAGLBSA-N 245.244 2.236 0 40 BEAB Cc1cc(NCc2cnn(C(C)C)c2)n(C)n1 256050357 DSUWDBGZBONIEK-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1cc(C)nc(NC(=O)CCC(F)(F)F)n1 291180633 OESBIBUUHKUTBN-UHFFFAOYSA-N 247.220 2.374 0 40 BEAB CN(Cc1cncn1C)C1(C)CCCC1 336518973 BSHQKKRWWKMHAY-UHFFFAOYSA-N 207.321 2.185 0 40 BEAB C[C@@]1(C(=O)O)OCc2ccccc2-n2cccc21 97924 JWGZFUYHMUSJDY-CQSZACIVSA-N 243.262 2.307 0 40 BEAB Cc1cc2oc(C(F)(F)F)cc(=O)c2c(=O)o1 1405923 BLHHNNNDFACHNV-UHFFFAOYSA-N 246.140 2.073 0 40 BEAB O=C(c1cc(-c2ccco2)on1)N1CCCC1 2602341 PPJIXFQWVHMKRX-UHFFFAOYSA-N 232.239 2.171 0 40 BEAB CCn1cc(-c2nnc(-c3ccccn3)o2)cn1 2799976 KLGWEFLOGNQCOD-UHFFFAOYSA-N 241.254 2.015 0 40 BEAB COc1ccc(CNC(=O)NC(C)(C)C)cc1 3359294 KOBJGOYNFMYPGQ-UHFFFAOYSA-N 236.315 2.293 0 40 BEAB Cc1ccccc1CN1CCCC[C@H]1C(=O)O 3755311 DCFSTMVBCKBJQY-ZDUSSCGKSA-N 233.311 2.434 0 40 BEAB N=C(N)[C@H](O)c1cccc(Oc2ccccc2)c1 4203592 WFWFPRKLEYPTBE-CYBMUJFWSA-N 242.278 2.448 0 40 BEAB CN1CCCC[C@@H]1[C@@](C)(O)c1ccccc1 4777753 LXDBGLKINLPWMY-KGLIPLIRSA-N 219.328 2.378 0 40 BEAB CCCC(=O)Nc1nonc1-c1ccccc1 5426197 BWEDOMPQCVTPRC-UHFFFAOYSA-N 231.255 2.475 0 40 BEAB O=C1N=NC=C1NNc1ccc(Cl)cc1 5626243 CJEVEVPJVPNWIV-UHFFFAOYSA-N 222.635 2.090 0 40 BEAB c1cncc(-c2nc3ccccc3c3nncn23)c1 5904422 VTGZVSCWQJJCDN-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB CCc1ccc(NC(=O)c2cnn(C)c2)cc1 8076076 SLQSYDDMQSWNKZ-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB Cc1cccc(-c2ncc(C(=O)O)cn2)c1 8730981 QMWFKTBXZPOLRW-UHFFFAOYSA-N 214.224 2.150 0 40 BEAB CC[C@H](C)NC(=O)COc1cccc(C)c1 10120467 ZZZZMHNLYUSAOT-NSHDSACASA-N 221.300 2.289 0 40 BEAB O=C(O)c1c(O)c(Cl)cc(O)c1Cl 13510799 TYIRNSZWLDSWDM-UHFFFAOYSA-N 223.011 2.103 0 40 BEAB in-vitro CN(CCC(N)=O)Cc1ccc(C(C)(C)C)cc1 14200878 XILBQKVJJKJWKQ-UHFFFAOYSA-N 248.370 2.291 0 40 BEAB CNCc1cc(F)ccc1Br 19272637 NOZTVMWWKXEGJV-UHFFFAOYSA-N 218.069 2.308 0 40 BEAB C[C@H](NN)c1ccccc1C(F)(F)F 19394568 ARUIYABJRXPFSJ-LURJTMIESA-N 204.195 2.230 0 40 BEAB CCOC(=O)[C@@]12CC=CCN[C@@H]1CCCC2 19530257 UYJXSESXJSHLID-YPMHNXCESA-N 223.316 2.028 0 40 BEAB Fc1ccccc1-c1nnc(C2CCNCC2)o1 19780354 CJBSXPKDWMGRDX-UHFFFAOYSA-N 247.273 2.343 0 40 BEAB O=C(O)c1ncoc1-c1cccc(F)c1 20442775 PLKBCEKRBXOTJA-UHFFFAOYSA-N 207.160 2.179 0 40 BEAB in-vitro O=C(O)c1cnc2c(cnn2C2CCCC2)c1 21966574 OJOATUNPRXJFJJ-UHFFFAOYSA-N 231.255 2.245 0 40 BEAB in-vitro CC[C@](C)(C(=O)OC)N1CCC[C@@H](C)C1 22123470 MGVMHLJMIWYJRP-ZYHUDNBSSA-N 213.321 2.060 0 40 BEAB NC[C@H](c1cccc(F)c1)N1CCCCC1 22176732 JQIARQLCOJMLDZ-CYBMUJFWSA-N 222.307 2.311 0 40 BEAB O=C(Nc1ccncc1)c1cc(Cl)ccn1 28668191 BQKALHZTGTYCKZ-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 32865158 ALNSUNQDBBBXKR-NSHDSACASA-N 245.322 2.036 0 40 BEAB CCOC(=O)Cc1c[nH]c2cccc(F)c12 35086851 PYSOOGMMVSEHLW-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB CCC[C@@H](N)C(=O)N[C@@H](C)c1cccs1 36873287 MCLCBTCMINUICY-DTWKUNHWSA-N 226.345 2.053 0 40 BEAB CCn1ccc(=O)c2cccc(OC)c21 40164111 WVLGMOOOBNZBDO-UHFFFAOYSA-N 203.241 2.030 0 40 BEAB CC1CCN(c2cc(=S)[nH]cn2)CC1 45918632 ATLRGAYOXIHGML-UHFFFAOYSA-N 209.318 2.375 0 40 BEAB Cc1c(NC(=O)[C@@H]2C[C@@H]2C)cccc1C(=O)O 57351895 TYGGYUZQLBNKGD-OIBJUYFYSA-N 233.267 2.288 0 40 BEAB CCc1n[nH]c(Sc2ccc(C)cc2N)n1 70462241 LTFYZYWCYMDZMS-UHFFFAOYSA-N 234.328 2.409 0 40 BEAB CCc1n[nH]c(Sc2ccc(N)cc2C)n1 70462271 YXIUBHQLNNKIKY-UHFFFAOYSA-N 234.328 2.409 0 40 BEAB CCCNC(=O)CSc1ccc(C)cn1 71855568 NEJYAFLGWDFSTQ-UHFFFAOYSA-N 224.329 2.008 0 40 BEAB CCCCOC(=O)[C@@H](C)Sc1nccn1C 71922104 FYYGXHKRTJRLKL-SECBINFHSA-N 242.344 2.244 0 40 BEAB CN1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215908 ZODYVBOJYKCRPQ-ZDUSSCGKSA-N 231.343 2.449 0 40 BEAB CCOC(=O)CC[C@H](F)CCOC(=O)CC 72283995 LBVYKLFUQACTQF-VIFPVBQESA-N 234.267 2.011 0 40 BEAB CCc1n[nH]c(SCc2cccnc2)n1 74072697 CQXJZCJUARSVLV-UHFFFAOYSA-N 220.301 2.054 0 40 BEAB CCCC(=O)Nc1ccc2nccn2c1 74859400 ONQHWJDZFWTPRP-UHFFFAOYSA-N 203.245 2.073 0 40 BEAB CC[C@@H](C)NC(=O)Cc1ccc(OC)c(C)c1 74959605 SXUQBVJHWUCTAT-LLVKDONJSA-N 235.327 2.461 0 40 BEAB CCOC(=O)C(F)(F)[C@@H](F)C(F)(F)F 80440433 NRYRDKRQQXUDBX-GSVOUGTGSA-N 224.100 2.085 0 40 BEAB CCc1cc(Br)nc(C)n1 84082110 IGHDUMSIXOYOGW-UHFFFAOYSA-N 201.067 2.110 0 40 BEAB Cc1ccccc1-c1cnn([C@H](C)CN)c1 85391508 BTIICKLDGUKPPF-LLVKDONJSA-N 215.300 2.378 0 40 BEAB COC(=O)c1ccc2c(F)cccc2n1 85399057 DONNBJJOWSFNRV-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB COCCn1c(C=O)nc2cccc(Cl)c21 95095704 YZDXZNLXEXDDJT-UHFFFAOYSA-N 238.674 2.149 0 40 BEAB Cc1nc2ncnn2c(N[C@H]2C=CCCC2)c1C 95411592 XDHLKEUSWISJOV-NSHDSACASA-N 243.314 2.262 0 40 BEAB COCCCn1cc(C=O)c2c(F)ccnc21 95937223 UEUVFVMHBJCFOV-UHFFFAOYSA-N 236.246 2.024 0 40 BEAB Cc1cnc(N[C@H]2CCC[C@]2(C)CO)nc1C 95978541 HAYKHPJOYJHYGP-WCQYABFASA-N 235.331 2.056 0 40 BEAB Clc1cccc2c1COC21CCNCC1 96029451 HYTGLYLBXMDWON-UHFFFAOYSA-N 223.703 2.449 0 40 BEAB OCCOc1ccc(OCc2ccccn2)cc1 97148459 FHUQUMKODZBOIR-UHFFFAOYSA-N 245.278 2.032 0 40 BEAB CCO[C@@H](C)c1nccn1C[C@@H]1CCCO1 97378332 GIEUHGHMXAXHPG-QWRGUYRKSA-N 224.304 2.160 0 40 BEAB CN1[C@H]2CC[C@H]1CC(OC(=O)c1ccccc1)C2 100248560 XQJMXPAEFMWDOZ-STQMWFEESA-N 245.322 2.469 0 40 BEAB biogenic,in-vitro N[C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12 101075246 DEDUBZVXFIONOV-KKUMJFAQSA-N 230.355 2.246 0 40 BEAB CC1(C)C[C@@]2(C(=O)O)CC[C@@]1(C)C(=O)C2 110767528 PUQLHGDQHCQSQZ-NWDGAFQWSA-N 210.273 2.247 0 40 BEAB CCC(=O)NCCCc1ccc(F)cc1 138959323 QNBWBEYFNLKYHG-UHFFFAOYSA-N 209.264 2.285 0 40 BEAB C[C@@H]1CNCC[C@@]1(O)Cc1cccc(Cl)c1 229562557 WBIRVXSEODWUTC-ZWNOBZJWSA-N 239.746 2.243 0 40 BEAB CCCN1CC[C@H](N)[C@@H](Cc2ccccc2)C1 242722758 XUDDQMRVXJSXHV-GJZGRUSLSA-N 232.371 2.288 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)[C@H](C)[C@H]21 252527498 CRSCRJHTAPGPGQ-KNZXXDILSA-N 226.316 2.389 0 40 BEAB CCOC(=O)c1c(N)sc2c(N)cccc12 103069 NIYGJLVVANWWDH-UHFFFAOYSA-N 236.296 2.242 0 40 BEAB COc1cccc2cc(-c3ccnc(N)n3)oc12 1393536 RSZAYWALYOLGAU-UHFFFAOYSA-N 241.250 2.481 0 40 BEAB CCOC(=O)Nc1c(Cl)ncnc1Cl 1667960 QQVWTJFAQKRODJ-UHFFFAOYSA-N 236.058 2.352 0 40 BEAB CC(=O)OC(CCc1ccccc1)OC(C)=O 1679841 ANUYJDFOJDZIFI-UHFFFAOYSA-N 236.267 2.072 0 40 BEAB O=c1nc(-c2ccc(OC(F)F)cc2)cc[nH]1 2786039 CIXYOYCVDDRICO-UHFFFAOYSA-N 238.193 2.038 0 40 BEAB CC(=O)OC[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845486 ONOBKWFGSCHVER-BREBYQMCSA-N 224.300 2.191 0 40 BEAB CC[C@H](C[C@]1(C)OCC[C@H](C)O1)C(=O)O 4705645 QXQGMCHPWQCEBV-IQJOONFLSA-N 216.277 2.029 0 40 BEAB CSc1nnc([C@H]2CCCNC2)n1C(C)C 5000662 UUHQSIWWVUENAX-VIFPVBQESA-N 240.376 2.048 0 40 BEAB CC(=O)c1ccc(OC(C)(C)C(=O)O)cc1 5167593 CDUYSGJRDZEJPK-UHFFFAOYSA-N 222.240 2.131 0 40 BEAB Clc1ccc(/C=C/CNn2cnnc2)cc1 7602366 CCDXBVYHNVTKPJ-OWOJBTEDSA-N 234.690 2.188 0 40 BEAB Oc1c(Cl)cc(N2CCNCC2)cc1Cl 8417923 JRUVDQROMCNCPM-UHFFFAOYSA-N 247.125 2.109 0 40 BEAB CC[C@@H](C)Oc1ccc(CO)cc1OC 8727748 GNTRQJPQMSVXJW-SECBINFHSA-N 210.273 2.365 0 40 BEAB Cc1csc(NC(=O)c2ccccc2O)n1 8768871 ADUGLBMXHCZAMF-UHFFFAOYSA-N 234.280 2.409 0 40 BEAB COc1cc(C=O)ccc1OC[C@H]1CCCO1 14000005 KDHACBMWVXSAHP-LLVKDONJSA-N 236.267 2.066 0 40 BEAB C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1 16972433 JBKLNOYKBRTWAA-PWSUYJOCSA-N 240.347 2.186 0 40 BEAB C[C@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1 20078939 OGVXOBJOPFDWIY-QWRGUYRKSA-N 219.284 2.113 0 40 BEAB CC(C)(C)OC(=O)NCCc1ccccn1 21983980 FRZBAKFWDAGSGM-UHFFFAOYSA-N 222.288 2.149 0 40 BEAB Cc1sc2ccc3sc(C)[n+]4c3c2[n+]1CC4 27987865 DBVHDBYYXNKMAF-UHFFFAOYSA-N 248.376 2.321 0 40 BEAB O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCO1 31036692 OVPSWWHKGXDZRQ-ZIAGYGMSSA-N 245.322 2.433 0 40 BEAB Cc1c(CO)cccc1[C@H](C)c1cnc[nH]1 34412135 HTQCEFAVROSRIW-JTQLQIEISA-N 216.284 2.362 0 40 BEAB in-vitro c1ccc2c(c1)OCC[C@@H]2NC[C@H]1CCOC1 37074393 MCVLEBKYOPWARN-YPMHNXCESA-N 233.311 2.136 0 40 BEAB OCc1cc2cccc(Br)c2[nH]1 37632811 LRESNFOVIGJKPK-UHFFFAOYSA-N 226.073 2.423 0 40 BEAB O=C(Nc1cccc(CO)c1)c1ccccc1O 37980239 AREDUNGZIXAWFS-UHFFFAOYSA-N 243.262 2.137 0 40 BEAB CC1=CC(=O)N([C@@H](C)c2ccc(F)cc2)C1=O 42228099 JBTQUJMUNGFURQ-VIFPVBQESA-N 233.242 2.202 0 40 BEAB CC(C)c1nccn1CC1CCNCC1 43497812 FUKDOUCEBAOCTG-UHFFFAOYSA-N 207.321 2.006 0 40 BEAB CCOc1cc(/C=C\C(N)=O)ccc1OC(C)C 44263357 ZUTRJFHEYRRRCC-VURMDHGXSA-N 249.310 2.371 0 40 BEAB Cc1ccc(CC(=O)Nc2cc(C)n[nH]2)cc1 47555565 PNCZTXZHUYMXOX-UHFFFAOYSA-N 229.283 2.208 0 40 BEAB OC1CCN(Cc2ccc(Cl)s2)CC1 48368210 KQUXBEQLKJQMTC-UHFFFAOYSA-N 231.748 2.358 0 40 BEAB O[C@H]1CCCC[C@@H]1Nc1ncnc2ccsc12 52007390 AMTKSFGJUZBUDW-WPRPVWTQSA-N 249.339 2.407 0 40 BEAB Nc1nccc(-c2ccc(F)c(F)c2)n1 52812001 WBSIJTZQXOULKB-UHFFFAOYSA-N 207.183 2.004 0 40 BEAB COC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1 68677317 XPKXKOLYHUCQRB-UHFFFAOYSA-N 249.285 2.088 0 40 BEAB CCc1noc(CN(C)Cc2ccc(F)cc2)n1 69530225 IAEWGVNKCBDGHJ-UHFFFAOYSA-N 249.289 2.403 0 40 BEAB CCN[C@@H](C)C(=O)c1c[nH]c2ccccc12 71519721 GVDDWHYNHVWVNT-VIFPVBQESA-N 216.284 2.349 0 40 BEAB CCC(=O)N(c1ccccc1)[C@H](CC)C(=O)OC 71905525 ATLNOUOFXWFLDP-GFCCVEGCSA-N 249.310 2.381 0 40 BEAB CC[C@@H](C)NC(=O)Nc1cc(C)ns1 72313511 BJQSGPMFHUHWLA-ZCFIWIBFSA-N 213.306 2.372 0 40 BEAB O[C@@H](C[C@H]1CCCCCN1)c1ccco1 75110617 LXUYRRUCGIREKG-MNOVXSKESA-N 209.289 2.235 0 40 BEAB COCC(C)(C)NCCc1ccc2c(c1)CCO2 75712643 RWTBUWXDDNHNGO-UHFFFAOYSA-N 249.354 2.179 0 40 BEAB CC(C)(C)OC(=O)n1nc(CO)c2ccccc21 80443550 ZUTFTIKZPUYKBM-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB COc1ccccc1[C@H]1CSCCCN1 85315094 YFCXYMDHYZTSLD-LLVKDONJSA-N 223.341 2.463 0 40 BEAB CC(C)(C)C(=O)NC[C@H]1CCCS1 87475654 CSPGFVNGVTVLER-MRVPVSSYSA-N 201.335 2.044 0 40 BEAB CC(=O)c1ccc(C(F)(F)F)nc1F 96509832 BMINUISNWPZUDA-UHFFFAOYSA-N 207.126 2.442 0 40 BEAB CCn1cnc2nc(C3CC3)nc(Cl)c21 96529511 FMHVTFYMONUOLY-UHFFFAOYSA-N 222.679 2.377 0 40 BEAB CCCCCN1CC(=O)N[C@H]1c1cccc(O)c1 97052962 ZPJOFKALHIQIHH-CQSZACIVSA-N 248.326 2.013 0 40 BEAB CCc1cnccc1C(=O)OC[C@H]1CC[C@H](C)O1 97113101 PKZUPZILJHEZQJ-CMPLNLGQSA-N 249.310 2.368 0 40 BEAB CC/C=C(\C)c1nc(-c2cnccn2)no1 98056404 RJIFGRORGSKEBS-XBXARRHUSA-N 216.244 2.340 0 40 BEAB CCC1=NN(c2cccc(F)c2)C(=O)C1 100406995 ASLHEDSDQHVQRG-UHFFFAOYSA-N 206.220 2.328 0 40 BEAB O[C@H]1[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1C2 100742987 LGLZRUQGFUJOOH-QWQWKMKNSA-N 210.317 2.089 0 40 BEAB biogenic C[C@@H]1[C@H]2C[C@@H]([C@@H](CN(C)C)C2=O)C1(C)C 108520307 IORDCIHONMRMKU-DBIOUOCHSA-N 209.333 2.045 0 40 BEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCC1CC1 110567784 OPAFUGLDNDUAPN-SDDRHHMPSA-N 207.317 2.339 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCNC1CCCCCC1 122232925 BGNRNVIHSONJNQ-WCQYABFASA-N 238.375 2.071 0 40 BEAB CC(C)Nc1nc(Cl)nc(C(F)F)c1N 217639922 NFBORAOKLDQPRM-UHFFFAOYSA-N 236.653 2.470 0 40 BEAB C[C@@H]1CCCCN1c1ncccc1C=O 217732442 MXGHNGSTEPYBOZ-SNVBAGLBSA-N 204.273 2.273 0 40 BEAB CC(C)O[C@H](Cc1ccc(F)cc1)C(=O)O 220490007 UYQQDDUOJRMTEC-LLVKDONJSA-N 226.247 2.246 0 40 BEAB O=S(=O)(c1ccccc1)[C@]12[C@H]3CCC[C@@H]1[C@@H]32 253570531 NSLOGIRCCYECDD-PPANGVADSA-N 234.320 2.259 0 40 BEAB O=C1Nc2cc(Br)ccc2[C@@H]1F 257197754 IMDXQRBZJYAGPB-ZETCQYMHSA-N 230.036 2.412 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@H]1c1ccccc1F 257197795 JMCPIUDWVVPLKP-PWSUYJOCSA-N 237.274 2.039 0 40 BEAB CC(C)c1ccc([C@@H]2CNC[C@@H]2CO)cc1 396889101 WPBFLTJXKXQYSU-KGLIPLIRSA-N 219.328 2.105 0 40 BEAB C[C@@H]1CC(=O)C[C@H](NC(=O)OC(C)(C)C)C1 953046417 VIFRAVOEXUEODF-DTWKUNHWSA-N 227.304 2.269 0 40 BEAB CC(C)(C)c1ccc(-c2nn[nH]n2)cc1 118683 QHSLNQKCYGFLER-UHFFFAOYSA-N 202.261 2.164 0 40 BEAB in-vitro OCCCNc1nc2cc(Cl)ccc2o1 1608248 HENWAWPNFHBPIR-UHFFFAOYSA-N 226.663 2.276 0 40 BEAB CN(C)C(=S)SCCCCCC(=O)O 1667601 QTIGMNXKDBQQSI-UHFFFAOYSA-N 235.374 2.211 0 40 BEAB CC(C)N(C)CCOC(=O)/C=C/c1ccco1 1822688 ZDWALRWNPMUICD-VOTSOKGWSA-N 237.299 2.176 0 40 BEAB O=C(Cc1ccccc1F)C(F)(F)F 2517997 BUMJRNYPSGRNRF-UHFFFAOYSA-N 206.138 2.500 0 40 BEAB COc1ccc2c(c1)CC[C@H](C(=O)O)[C@H]2C 3844068 AJWYLNNVQJYOJL-UFBFGSQYSA-N 220.268 2.446 0 40 BEAB biogenic Cc1cc(NC(=O)c2cccs2)nc(C)n1 6796801 WBGLNFVAKNGZFA-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB COc1ccc(C)c(NC(=O)C2CC2)c1 6846417 VQUOWYCPLUYTAE-UHFFFAOYSA-N 205.257 2.352 0 40 BEAB CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)C=CC1=O 8580140 XJHDMGJURBVLLE-LGRMDKJXSA-N 246.306 2.420 0 40 BEAB COc1ncccc1C(=O)Nc1ccccc1 12906890 BCAHDDUNFAEITQ-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB CC(C)NC(=O)NCc1ccc(F)cc1 12972790 SNUUIODEFPZTOT-UHFFFAOYSA-N 210.252 2.033 0 40 BEAB CN(C)[C@@H](CN)c1c(F)cccc1Cl 19796248 SVVYLOYYSIUYKJ-VIFPVBQESA-N 216.687 2.041 0 40 BEAB CCN(CC)CCNCc1cccs1 19919224 KRZYUBRNUWCSDO-UHFFFAOYSA-N 212.362 2.180 0 40 BEAB in-vitro O=C(O)CSc1ccnc(-c2ccccc2)n1 20120535 SXPMNYJJBMNTSF-UHFFFAOYSA-N 246.291 2.320 0 40 BEAB Nc1cccc(OCc2ccccn2)c1 20283720 HGHLFKVWEXFLES-UHFFFAOYSA-N 200.241 2.243 0 40 BEAB in-vitro COCc1cccc(NC(=O)c2ccncc2)c1 25334792 INZOCKLOPABZRP-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB O=C(O)c1ccc(CSC2=NC=CCN2)cc1 32109745 CJHAWNCZONVPDI-UHFFFAOYSA-N 248.307 2.091 0 40 BEAB COC(=O)CSc1ccc2ccccc2n1 32537671 ZYWCPBUXYWIYRD-UHFFFAOYSA-N 233.292 2.500 0 40 BEAB Cc1cc(O)c(C=O)c(Br)c1 36456524 XUZWJSVIUKVGEX-UHFFFAOYSA-N 215.046 2.276 0 40 BEAB Cc1ccc(CN[C@H]2CCCCNC2=O)c(C)c1 36976759 XFIJDLPXGMJAOW-AWEZNQCLSA-N 246.354 2.062 0 40 BEAB Cc1ccc(CN2CCO[C@H](C)C2)cc1 41194280 JNQSTZSGHMZICE-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB Cc1cccc(C(=O)NCc2c(C)n[nH]c2C)c1 41532698 YGOHJMORPITIOR-UHFFFAOYSA-N 243.310 2.265 0 40 BEAB CC[C@@H](C)NC(=O)CCc1c(C)noc1C 44715670 GRRVHROCOFTYOJ-MRVPVSSYSA-N 224.304 2.139 0 40 BEAB C[C@H]1Nc2ncccc2N[C@@H]2CCCC(=O)[C@@H]12 45027516 YTKGZSXXSXNMIT-LNLATYFQSA-N 231.299 2.045 0 40 BEAB Cc1nc(CNC(=O)Nc2ccccn2)cs1 45344356 ZCQREZYGNYHNKE-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB Fc1cc(CN2CCOCC2)c2ncccc2c1 46502112 SPKRWTIKLLNPLL-UHFFFAOYSA-N 246.285 2.206 0 40 BEAB C[C@@H]1CN(C(=O)CCCc2ccccc2)CCO1 46743440 MGPFTNJMEJUSSU-CYBMUJFWSA-N 247.338 2.257 0 40 BEAB CCn1cc(NC(=O)C[C@@H]2C=CCC2)ccc1=O 47181529 LPXDESHSFRVYSL-LLVKDONJSA-N 246.310 2.163 0 40 BEAB Fc1ccc(CN2CCCNCCC2)cc1 49665273 RBLKQPSNRKTOOZ-UHFFFAOYSA-N 222.307 2.011 0 40 BEAB Nc1ccnc(-c2ccc(Cl)cc2)n1 50847026 FFGMOMZZTKKFSA-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB in-vitro COC(=O)c1ccoc1CN1CCC[C@H](C)C1 55255705 SLDUREQHIMSOKN-JTQLQIEISA-N 237.299 2.298 0 40 BEAB CCC[C@H](CC(=O)OC(C)(C)C)C(=O)O 59803441 FPXXLDXAXQPOIJ-MRVPVSSYSA-N 216.277 2.219 0 40 BEAB CCC(=O)[C@H](C)OC(=O)c1cccnc1Cl 60841454 IMINQTHJEMBPAR-ZETCQYMHSA-N 241.674 2.259 0 40 BEAB CCCC[C@@H](CC)CNC(=O)N[C@H](CC)CO 60907671 LUCJWJGLCCSFHO-VXGBXAGGSA-N 244.379 2.273 0 40 BEAB CCCCC[C@@H]1NC(=O)c2ccccc2NC1=O 72323955 POKHSIRCEXSJBL-LBPRGKRZSA-N 246.310 2.317 0 40 BEAB biogenic C[C@@H]([C@@H](C)NCC(C)(C)C)n1cccn1 75606806 XNTPMMQBVJNHSQ-MNOVXSKESA-N 209.337 2.468 0 40 BEAB CN(C[C@@H]1CCCN1)C(=O)OCc1ccccc1 79437734 BOXRBTATHOAKGB-ZDUSSCGKSA-N 248.326 2.007 0 40 BEAB OCc1csc(-c2cccc(F)c2)n1 82048405 POHIWRXGBCMZCN-UHFFFAOYSA-N 209.245 2.442 0 40 BEAB COC(=O)c1cc2cc(C=O)ccc2o1 82380779 LAMHFBNISYCJQX-UHFFFAOYSA-N 204.181 2.032 0 40 BEAB C[C@H](CCO)CNC(=O)c1cccc(Cl)c1 84637339 NVGQALCBZQMQJC-SECBINFHSA-N 241.718 2.088 0 40 BEAB COC(=O)c1ccc(C(=O)c2ccc(F)cc2)o1 85394308 VWUXSQCSRLZRRX-UHFFFAOYSA-N 248.209 2.436 0 40 BEAB COCc1ccc(N)cc1C(F)(F)F 88028172 PBZKTNYUVBUFKF-UHFFFAOYSA-N 205.179 2.434 0 40 BEAB COCc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)o1 89420346 VMXYLSCXWOIYOE-GHMZBOCLSA-N 249.310 2.298 0 40 BEAB C[C@H](NC(=O)[C@H]1CCC[C@@H]1CN)c1ccccc1 89448607 WQVMIHUDYOMBDN-YUTCNCBUSA-N 246.354 2.239 0 40 BEAB CCOC(=O)[C@H](C)Cc1ccc(O)c(F)c1 91297429 ZAGOMRAXNFCQIK-MRVPVSSYSA-N 226.247 2.273 0 40 BEAB FC(F)(F)c1ccc2c(n1)CCCN2 91366518 JWONDTKRBQCXIG-UHFFFAOYSA-N 202.179 2.459 0 40 BEAB CCCCC(=O)N[C@H](C)c1nnc(C)s1 95940067 QJHYKTOMTCUMGE-SSDOTTSWSA-N 227.333 2.214 0 40 BEAB CCN(C)c1ccc(C(=O)O[C@H](C)C(C)=O)cc1 95956070 AVFQPLNKZAGJIE-LLVKDONJSA-N 249.310 2.277 0 40 BEAB C[C@H]1C[C@H]2CN(C(=O)C3=CCCC3)CC[C@H]2O1 96043590 XTJJUYRHOUNERS-WCFLWFBJSA-N 235.327 2.123 0 40 BEAB c1c[nH]c(COCc2nc(C3CCCC3)no2)n1 96494658 VZDUXDRVSNGLDS-UHFFFAOYSA-N 248.286 2.167 0 40 BEAB COc1cccc(CCN2CCCC[C@H]2CN)c1 96523575 XQADNWWCRYWHHG-AWEZNQCLSA-N 248.370 2.051 0 40 BEAB N[C@H]1CC[C@@H](CNC(=O)OCc2ccccc2)C1 140844070 AJRYNKKTFXWAET-OLZOCXBDSA-N 248.326 2.040 0 40 BEAB C1CNC[C@@H](CN2CC[C@@H]3CCCC[C@@H]3C2)C1 216241999 RSFGURGCIUVVEK-SOUVJXGZSA-N 236.403 2.498 0 40 BEAB CCCOC(=O)c1cc(N)ccc1NC1CC1 225455668 ADKSDGJLHQJWFY-UHFFFAOYSA-N 234.299 2.410 0 40 BEAB c1cc([C@H]2COCCN2C2CCCCC2)[nH]n1 257283093 OWSWIHPUCRYLBC-CYBMUJFWSA-N 235.331 2.116 0 40 BEAB Cc1nnc(OCC2CC(F)(F)C2)s1 585651870 IAQFRQMTUDRZIW-UHFFFAOYSA-N 220.244 2.271 0 40 BEAB CC(C)[C@@H]1COC(c2ccc(F)cn2)=N1 1988188125 WDYXEXPXLJSQFV-JTQLQIEISA-N 208.236 2.022 0 40 BEAB CCN(CC)[P@@]1(=O)OC(C)(C)C[C@]1(C)O 231790 REQUQJQPNHWTGW-BMIGLBTASA-N 235.264 2.429 0 40 BEAB Clc1ccc(-c2ccnc3ncnn23)cc1 1389320 DYJZXJFZHSVISG-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB Cc1nc(-c2ccncc2)nc(-c2ccncc2)n1 2582075 BOABUEIOMFJXKA-UHFFFAOYSA-N 249.277 2.304 0 40 BEAB Cc1cccc([C@H](O)c2cccnc2)c1O 6491288 ZYJUNHWGBALBJJ-CYBMUJFWSA-N 215.252 2.177 0 40 BEAB Nc1cc(N)nc(SCC2CCCCC2)n1 7692714 NMRXAUDADJAKLL-UHFFFAOYSA-N 238.360 2.313 0 40 BEAB CCCOc1ccc(Nc2nccc(=O)[nH]2)cc1 11991428 YXJGBNKISBUTCT-UHFFFAOYSA-N 245.282 2.302 0 40 BEAB CCc1ccc2c(CC(=O)NC)coc2c1 12601372 JHACORHSWWZXSX-UHFFFAOYSA-N 217.268 2.284 0 40 BEAB Cc1ccc(/C=C2\SC(=O)N(C)C2=O)o1 16348031 GHFMOJFMEYICPB-YVMONPNESA-N 223.253 2.254 0 40 BEAB CCCn1c(CC)nc2ccccc2c1=O 19989899 ZIMFYUBAVNPVMC-UHFFFAOYSA-N 216.284 2.369 0 40 BEAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC 20106991 UCWFVETXVHNRFW-LLVKDONJSA-N 221.300 2.207 0 40 BEAB COCCCN[C@@H]1CCc2ccccc21 20142423 ZVIRYVZSWWSCRI-CYBMUJFWSA-N 205.301 2.300 0 40 BEAB Nc1cccc(-c2nc3cnccc3o2)c1 20158651 NWBUXWFQBNSJAB-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB C[C@@H](N)[C@H](O)c1ccc(Cl)cc1Cl 20216938 MJRZLMVDAYXNBF-ANLVUFKYSA-N 220.099 2.374 0 40 BEAB Cc1noc(C)c1-c1ccc(C(=O)NC2CC2)o1 32565198 JDLFUBBHIZYBNH-UHFFFAOYSA-N 246.266 2.444 0 40 BEAB Nc1cc2c(cc1Br)CCC2=O 34146481 JLJSHBWPQDKMRQ-UHFFFAOYSA-N 226.073 2.160 0 40 BEAB in-vitro Nc1ncc(-c2nc(-c3ccccc3)no2)s1 34797794 GPFKMVNCYNDXMO-UHFFFAOYSA-N 244.279 2.442 0 40 BEAB N[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 37240986 WGNMDIPCMAFVDZ-SECBINFHSA-N 230.233 2.243 0 40 BEAB O[C@H]1CCN(Cc2c(F)cccc2Cl)C1 38539026 JJSYMSMQHJJVSO-QMMMGPOBSA-N 229.682 2.046 0 40 BEAB CC(C)[C@H](N)CN(C)Cc1ccccc1 39141106 KNGBJSXFCBIQGY-CYBMUJFWSA-N 206.333 2.102 0 40 BEAB in-vitro O=C(O)c1cc2cccc(Cl)c2oc1=O 40541727 XTTRYTGJDHLGIX-UHFFFAOYSA-N 224.599 2.145 0 40 BEAB OC1(Cc2c(F)cccc2Cl)CCNCC1 41289530 FDOOLLPSZDOYES-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB C[C@@H](N)[C@H](OC1CCOCC1)c1ccccc1 42904328 HIUSWVFHVDKMEN-RISCZKNCSA-N 235.327 2.271 0 40 BEAB in-vitro Clc1nccnc1Oc1cccnc1 43536844 CWDNEFCHOUTXMA-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB CC[C@@H](SC)C(=O)Nc1cc(C)on1 44973222 WFGDCBPHGQVEIK-SSDOTTSWSA-N 214.290 2.063 0 40 BEAB C[C@@H](NC(=O)Nc1cccnc1)C1CC1 48364918 PQTBNNANUFLZGG-MRVPVSSYSA-N 205.261 2.002 0 40 BEAB CN[C@H](CN)c1c(Cl)cccc1Cl 50269915 ZAECCYQEMWHUQD-MRVPVSSYSA-N 219.115 2.213 0 40 BEAB CCCNCc1cn(CC(=O)O)c2ccccc12 62717167 LEVXKSKILAIJRA-UHFFFAOYSA-N 246.310 2.226 0 40 BEAB C[C@@H]1CN(CCOC(C)(C)C)CC(C)(C)O1 65953907 VBVQZNZPMSHXTG-LLVKDONJSA-N 229.364 2.301 0 40 BEAB CC(C)c1ccc(CN2C[C@H](CO)CC2=O)cc1 70493675 BTFVBGZXKRFIGX-CYBMUJFWSA-N 247.338 2.151 0 40 BEAB Fc1ccc(-n2cc(C3CC3)nn2)cc1 72155583 KMYIPIKEWCYMFA-UHFFFAOYSA-N 203.220 2.284 0 40 BEAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)C1CC1 75107290 UQNKCDKXVOEEEW-LLVKDONJSA-N 244.338 2.264 0 40 BEAB CC(C)(C)[C@H](O)CCNC(=O)CC1CCCC1 75157713 BXQATWLZHRGGPD-GFCCVEGCSA-N 241.375 2.480 0 40 BEAB C[C@@]1(CO)CCC[C@H]1NC1CCSCC1 89919267 AXDXLOYECWKQME-NEPJUHHUSA-N 229.389 2.023 0 40 BEAB FC(F)(F)c1ccnc(NC2CCNCC2)c1 90803784 LHUHSNIYAGFCJM-UHFFFAOYSA-N 245.248 2.264 0 40 BEAB C1CCC(N[C@@H]2CCN(CC3CC3)C2)C1 95394094 GNAXGVUFVGSBNZ-CYBMUJFWSA-N 208.349 2.003 0 40 BEAB CC[C@H](NCCCCOCCOC)C(C)C 95421476 VCQHLUSVFJZBGA-ZDUSSCGKSA-N 231.380 2.454 0 40 BEAB Cc1ncccc1CNC(=O)OC(C)(C)C 95930254 VDBQKNRKFVUUHP-UHFFFAOYSA-N 222.288 2.415 0 40 BEAB Cc1cccc(C(=O)N2CCC3(CC2)CC3)n1 96051079 CLJXPTACTBYSKB-UHFFFAOYSA-N 230.311 2.406 0 40 BEAB O=C1NC2(CCC2)C(=O)N1CC1CCCCC1 96424899 SXVHEUKSTRSGMX-UHFFFAOYSA-N 236.315 2.041 0 40 BEAB CC(C)CNc1ccc(F)cc1OCCO 96453463 PJKNOXJHMRZZGE-UHFFFAOYSA-N 227.279 2.265 0 40 BEAB CCn1c(S)nnc1Cc1ccccc1OC 135972365 OEAPRXANHCHABU-UHFFFAOYSA-N 249.339 2.186 0 40 BEAB Cc1[nH]c(=O)c(Cl)cc1Br 141440363 PEKVCTLNJKQROM-UHFFFAOYSA-N 222.469 2.099 0 40 BEAB Cc1cccc(N(C)CCOCC2CC2)n1 157949909 AQPGDSSTOJSQHH-UHFFFAOYSA-N 220.316 2.253 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@](F)(CN)CC1 169804923 RZYCZJFHVWKUCW-LBPRGKRZSA-N 246.326 2.074 0 40 BEAB Cc1cc(-n2ccnc2)ccc1Cn1ccnc1 192081284 MGLSNULGBDQRQE-UHFFFAOYSA-N 238.294 2.426 0 40 BEAB O=C(O)c1cc(C2CC2)n2c1CCCC2 218298977 VUYOKVBBZMCNIX-UHFFFAOYSA-N 205.257 2.400 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218699947 QWQBQWGNSFVVOM-UWVGGRQHSA-N 228.194 2.270 0 40 BEAB CCC(=O)NCc1ccccc1-n1ccnc1C 225274491 NGVYZVDQUNEMFT-UHFFFAOYSA-N 243.310 2.207 0 40 BEAB Cc1cc2nc(N)sc2nc1Br 228971329 ANZHBQKIZIDJFA-UHFFFAOYSA-N 244.117 2.344 0 40 BEAB CCOc1ccc2cc(C(=O)OC)c(O)nc2c1 253536622 ZAAAXPMOTYOOGM-UHFFFAOYSA-N 247.250 2.126 0 40 BEAB c1nn(C2CCCC2)cc1CNC[C@H]1CCCO1 256049483 ADJDQJOXWWFBKW-CQSZACIVSA-N 249.358 2.267 0 40 BEAB CC(C)N1CCC[C@]1(C)c1ccnc2ccnn12 257279970 OIYCKMHRDOZGTN-CQSZACIVSA-N 244.342 2.449 0 40 BEAB C[C@H]1CN(C(=O)C2CC=CC2)CCC1(F)F 290755614 ATLFPAAHGJGMRM-VIFPVBQESA-N 229.270 2.456 0 40 BEAB CCCOCc1ccn(CC(F)F)n1 408715496 SZYGNQJRCSYTKJ-UHFFFAOYSA-N 204.220 2.075 0 40 BEAB CCc1nsc(N2CCC[C@H]3C[C@H]32)n1 521394191 WHUBWSQVFXDBJD-JGVFFNPUSA-N 209.318 2.089 0 40 BEAB Cc1cc(C(=O)N2Cc3cccnc3C2)c(C)o1 559250261 MLJNGPSNDCVBHE-UHFFFAOYSA-N 242.278 2.447 0 40 BEAB FC(F)c1nnc2cccc(Br)n12 1848350277 NNWYAWCXPKQGCT-UHFFFAOYSA-N 248.030 2.429 0 40 BEAB Oc1ccc(-c2n[nH]c(-c3cccnc3)n2)cc1 505368 NRSMRIGPWSTPTQ-UHFFFAOYSA-N 238.250 2.239 0 40 BEAB CC1(C)[C@H]2C[C@@]3(C)OC(=O)CS[C@@H]3C[C@H]21 519850 YOBUCQAMBRSDSP-JXVAYASWSA-N 226.341 2.470 0 40 BEAB biogenic NC(=O)c1ccccc1NCCc1ccccc1 1574081 VNTKLVULDWYCGY-UHFFFAOYSA-N 240.306 2.440 0 40 BEAB COC(=O)C[C@]1(O)C=CCC[C@@H]1c1ccccc1 1632471 YTNVBQYOPKQGNS-UKRRQHHQSA-N 246.306 2.414 0 40 BEAB CCCCNC(=O)c1ccc2c(c1)CCC(=O)N2 10023600 CSYJTTONDUVXDS-UHFFFAOYSA-N 246.310 2.101 0 40 BEAB CSc1ccccc1NC(=O)c1ccn(C)n1 11695582 UUWWEMJWPMZUIU-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](N)CC3 13905331 NWTOHMWTBNGTEF-VIFPVBQESA-N 200.285 2.292 0 40 BEAB in-vitro C[C@@H]1CCCN(Cc2cccc(CN)c2)C1 15042366 UKIVFVFEUQUYJF-GFCCVEGCSA-N 218.344 2.377 0 40 BEAB O=C(O)c1cnc(Cc2ccccc2)s1 19948427 HJUSLPCNLXKZRT-UHFFFAOYSA-N 219.265 2.432 0 40 BEAB in-vitro NCCc1scnc1-c1ccccc1 20184397 URLGHCJRQOTWHH-UHFFFAOYSA-N 204.298 2.311 0 40 BEAB O=C(NC1CC1)c1cc2c(s1)CCC2 20903812 CFRDKMUXVLMKMB-UHFFFAOYSA-N 207.298 2.129 0 40 BEAB COc1ccc(Oc2ncccc2CN)cc1 22220720 QMPNSJBLHFHLTN-UHFFFAOYSA-N 230.267 2.341 0 40 BEAB C[C@H]1CN(c2cnc3ccccc3n2)C[C@H](C)O1 26134633 PRMYCHZGLZCUMI-QWRGUYRKSA-N 243.310 2.243 0 40 BEAB Clc1c[nH]c2ncc(Br)nc12 32915122 VKBKVPMFSIOUCS-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB Cc1nc2cc(Br)cc(N)c2o1 41568912 VQWRZDSIMJRUCP-UHFFFAOYSA-N 227.061 2.481 0 40 BEAB in-vitro CCN(C[C@H]1CCNC1)C1CCCCC1 42783429 CFXPAJNJKWJZCR-LBPRGKRZSA-N 210.365 2.251 0 40 BEAB CCOC(=O)N1CC[C@H]2Nc3ccccc3[C@H]2C1 44563930 VBDDIOPVRQTWKP-DGCLKSJQSA-N 246.310 2.427 0 40 BEAB O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1O 52000846 NTZKHITWYBDGJJ-KBPBESRZSA-N 247.338 2.039 0 40 BEAB CC(C)(C)OC(=O)N(CC(=O)O)C(C)(C)C 64033401 UFGPPYAFGIRNIZ-UHFFFAOYSA-N 231.292 2.107 0 40 BEAB CN(C)C(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 71769577 QOBMKVRRANLSMZ-KQSJRHEJSA-N 222.332 2.082 0 40 BEAB Cc1cccnc1CNC(=O)c1cccc(F)c1 71847811 NAEPHEJBGLFFEF-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB CCOC(=O)C[C@H](NC)c1ccc(F)cc1 72210278 HOSWPHPJGUPZOJ-NSHDSACASA-N 225.263 2.039 0 40 BEAB CC(=O)c1cc(Br)c(F)cc1O 82164323 LXEWOXSXBATWKM-UHFFFAOYSA-N 233.036 2.496 0 40 BEAB Nc1c(Cl)cc(-n2cnnc2)cc1Cl 82349664 OEVWYMZVRGHKQI-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB NC(=S)c1cc(F)cc(Br)c1 83360534 LVXJYUGBKULKMC-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB O=C(CC1OCCO1)c1cccc(Cl)c1 85652188 ZBGFDFQYQLRREQ-UHFFFAOYSA-N 226.659 2.286 0 40 BEAB NCCc1nc2ccccc2n1CCC1CC1 88493515 JIXDDKPKMMAIMC-UHFFFAOYSA-N 229.327 2.338 0 40 BEAB O=C(NCC[C@@H](O)c1ccoc1)[C@H]1CC=CCC1 90613056 ZAQSDYXSFSRWBD-WCQYABFASA-N 249.310 2.176 0 40 BEAB Brc1cccc(COC[C@@H]2CO2)c1 95096157 MNKZEYAGNJSLIR-SNVBAGLBSA-N 243.100 2.365 0 40 BEAB CC[C@H](SC[C@H](O)CO)c1ccccc1 95407547 ORCFUUSYTLRTGF-NEPJUHHUSA-N 226.341 2.224 0 40 BEAB Cc1ccnc(N2C[C@H]3CCCC[C@H]3C2)n1 95408708 AEYJDYWKNNZNCR-TXEJJXNPSA-N 217.316 2.411 0 40 BEAB O=C1NCCCc2ccc(Br)cc21 96111261 OHHJXRYJZFFFSR-UHFFFAOYSA-N 240.100 2.125 0 40 BEAB Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)n1C 96150418 WPYRDNFOBRJPPW-SNVBAGLBSA-N 247.298 2.196 0 40 BEAB N[C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 100806831 KVDUEXIXPTYBQH-TXEJJXNPSA-N 248.301 2.051 0 40 BEAB Cn1nc(C2CC2)c(/C=C/C(=O)O)c1Cl 255190656 YPMIBFVRUDNVQZ-SNAWJCMRSA-N 226.663 2.049 0 40 BEAB CC[C@H](C)P(=O)(N1C[C@H]1C)N1C[C@H]1C 301054453 QMRVDEQQFYHIBF-KGPWLHRASA-N 216.265 2.386 0 40 BEAB Cc1ccc(C(=O)N2CC(CF)C2)c(C)c1 335213842 DWUJVENOYWIGIG-UHFFFAOYSA-N 221.275 2.345 0 40 BEAB CCCCNC(=S)N[C@H]1CSC1(C)C 393814993 XBQWQGYBVQHBSG-QMMMGPOBSA-N 232.418 2.145 0 40 BEAB Cc1c2c(O)cc(Br)cc2nn1C 616569240 OZKURWIUAMESPF-UHFFFAOYSA-N 241.088 2.350 0 40 BEAB O=C(O)C[C@H](n1ccc(C2CC2)n1)C(F)(F)F 685936613 KVBIFHVDJDRAAP-QMMMGPOBSA-N 248.204 2.339 0 40 BEAB CCOC(=O)CCCn1ccc(C(F)F)n1 685936797 ZWAYDBMZHNFXPI-UHFFFAOYSA-N 232.230 2.164 0 40 BEAB O[C@@]1(C(F)(F)F)CC(c2cccs2)=NO1 170932 WJPBGIHUZWQXOV-ZETCQYMHSA-N 237.202 2.123 0 40 BEAB Nc1ccc2c(c1)C(=O)c1c(C(=O)O)cccc1-2 1713214 AGGPEFPWWGLKJT-UHFFFAOYSA-N 239.230 2.178 0 40 BEAB C/C=C/C(C(=O)OCC)(C(=O)OCC)C(C)C 1717296 KEIQVIYZHGZVBB-RMKNXTFCSA-N 242.315 2.331 0 40 BEAB O=C(O)[C@H]1CC[C@H](c2ccccc2)C[C@H]1C(=O)O 2570078 LDLKSTRLCYRBDW-SDDRHHMPSA-N 248.278 2.356 0 40 BEAB NC[C@@H](O)CN(c1ccccc1)c1ccccc1 4733394 WUFRQNTUVKVLBK-OAHLLOKOSA-N 242.322 2.144 0 40 BEAB Cc1ccc2[nH]c(=O)c(CNC3CC3)cc2c1 4861335 GDEBCMYYFBZFGP-UHFFFAOYSA-N 228.295 2.089 0 40 BEAB CCOc1ccc2ccccc2c1CNCCO 8325093 LPEMRUZJVBAZKJ-UHFFFAOYSA-N 245.322 2.320 0 40 BEAB Cc1cc(NC2CCCCC2)n2ncnc2n1 9775235 LABDAERVBUYDMB-UHFFFAOYSA-N 231.303 2.177 0 40 BEAB NC(=O)COc1ccccc1-c1ccccc1 15315436 YOHQRRLVGLSQEG-UHFFFAOYSA-N 227.263 2.218 0 40 BEAB COC[C@H](C)NC(=S)NC1CCCCCC1 16238193 BDUUWFXELOMFQS-JTQLQIEISA-N 244.404 2.208 0 40 BEAB Clc1ccccc1CCCN1CCNCC1 19801374 QVFMKJLOHCCLST-UHFFFAOYSA-N 238.762 2.178 0 40 BEAB CC[C@@H](C)N1CCN(Cc2ccco2)CC1 19842526 MXJIRBFONXTXII-GFCCVEGCSA-N 222.332 2.196 0 40 BEAB N[C@@H]1CCC[C@@H](C[C@H]2CCC[C@@H](N)C2)C1 22000335 ZZYZUFNSKAIYCJ-YVECIDJPSA-N 210.365 2.412 0 40 BEAB CCCCc1nnc(NC(=O)C2CC2)s1 23361713 RPHOWTBKWPFBEU-UHFFFAOYSA-N 225.317 2.229 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)s1 31391301 PVDJQHWSAQVESR-VIFPVBQESA-N 249.339 2.072 0 40 BEAB COCCNCc1ccc(OC(C)C)cc1 32014678 WDJOUPUSPRJXRV-UHFFFAOYSA-N 223.316 2.210 0 40 BEAB C[C@@H](C(=O)N1CCCC1)N1CCc2ccccc21 32652093 RJHPGMIJYRABOE-LBPRGKRZSA-N 244.338 2.060 0 40 BEAB CC(C)CNC(=O)CN1CCCCCCC1 32652327 XNMBHVNGFRTRKE-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB CSCCC(=O)N1CCCC[C@@H]1C 33028663 GAXNTOKKNVMPNH-VIFPVBQESA-N 201.335 2.141 0 40 BEAB O[C@@H](C[C@H](O)C(F)(F)F)c1ccccc1 33805443 XWWKWKRVRQENAP-IUCAKERBSA-N 220.190 2.033 0 40 BEAB Ic1ccc2c(c1)CCN2 34172481 AADZERKEXPUPGY-UHFFFAOYSA-N 245.063 2.259 0 40 BEAB in-vitro CCCCN(CCCC)C(=O)CNC1CC1 37395061 MUXFTDFMJOQWAO-UHFFFAOYSA-N 226.364 2.167 0 40 BEAB CN(C)c1nc(Cl)c2ccccc2n1 39434706 WSLBXUUJVCFGJH-UHFFFAOYSA-N 207.664 2.349 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)cc(N)c1 40295143 BPHAAFREIMMNSE-UWVGGRQHSA-N 247.342 2.254 0 40 BEAB Cc1cccc(-c2nn(C)cc2C=O)c1 41046968 FRZZXWISKTZRJM-UHFFFAOYSA-N 200.241 2.208 0 40 BEAB CC/C=C(\C)C(=O)NC[C@@H](CC)N1CCCC1 42499003 GYEQSDGRARBJCT-YQCJOKCJSA-N 238.375 2.333 0 40 BEAB C[C@H](NC[C@H]1CCCN(C)C1)c1ccccn1 44535411 BCQHUTMQYWHWAV-QWHCGFSZSA-N 233.359 2.074 0 40 BEAB O=C(NCCCC1CCCC1)c1cccc[n+]1[O-] 52338354 NTFXIUCLVRWRPS-UHFFFAOYSA-N 248.326 2.020 0 40 BEAB NC1(C(=O)OCc2ccccc2)CCCC1 57681156 LXWREXKYHMWQRO-UHFFFAOYSA-N 219.284 2.001 0 40 BEAB in-vitro Cc1ccc([C@H](C)NC(=O)C2CCOCC2)o1 58307971 LSORNTDNKSDCAB-JTQLQIEISA-N 237.299 2.192 0 40 BEAB Cc1cccnc1CNc1cncc(Cl)n1 69663109 WFFPOAYNHZVHGU-UHFFFAOYSA-N 234.690 2.446 0 40 BEAB CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 75906651 IBOBUHRUWLSIJN-ZETCQYMHSA-N 233.237 2.238 0 40 BEAB CCS[C@@H]1CC[C@H](N(C)CCOC)C1 76068121 QZPJMAAVNYMIHR-WDEREUQCSA-N 217.378 2.239 0 40 BEAB Cc1ncn(Cc2cn3ccccc3n2)c1C 79090684 ZJKIFZQPIVVJGF-UHFFFAOYSA-N 226.283 2.196 0 40 BEAB COC(=O)Cc1cc(Cl)c(OC)cc1OC 82724356 OYOLRYFGAKEXKY-UHFFFAOYSA-N 244.674 2.073 0 40 BEAB Cc1ccc2c(c1)[C@@H](C(=O)O)NCC2(C)C 82783716 AJADLSHLNONLJN-NSHDSACASA-N 219.284 2.002 0 40 BEAB Cc1cc2nc(C)c(C(=O)O)nc2cc1C 83254546 JIIDDXKFCIHDBT-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB O=C1Nc2c(Br)cccc2C12CC2 85395692 RTMUNQFNYDTPSL-UHFFFAOYSA-N 238.084 2.433 0 40 BEAB Cc1nn(-c2cc(Cl)ccc2Cl)nc1N 89261826 BMUNWPBFSGZMAR-UHFFFAOYSA-N 243.097 2.465 0 40 BEAB COc1c(Br)ccc(F)c1CO 90727226 DZNKCCAFFQLVSD-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CCOC(=O)CCc1ccc(OC)cc1F 91304881 ZTHVZSUQIOWMDB-UHFFFAOYSA-N 226.247 2.330 0 40 BEAB in-vitro COC(=O)C1(c2ccc(Cl)cc2)CC(=O)C1 91692203 YXDCPTRTKPAJIA-UHFFFAOYSA-N 238.670 2.114 0 40 BEAB CC(C)N1CCN(c2nccs2)[C@H](C)C1 95373378 QVXAZZUAOAXEOS-SNVBAGLBSA-N 225.361 2.062 0 40 BEAB C[C@H](N)C(=O)N(Cc1ccccc1)CC(C)(C)C 95426499 SSAXTWTVOUUEOD-LBPRGKRZSA-N 248.370 2.409 0 40 BEAB CCSCCN1CCO[C@@H](C(C)C)C1 95465901 VYGPNRPKAGSKJK-LLVKDONJSA-N 217.378 2.096 0 40 BEAB CC(C)Cc1nc([C@H](N)c2ccccc2)n[nH]1 95533472 ANOIEMPWNNMUSG-GFCCVEGCSA-N 230.315 2.051 0 40 BEAB COCCNc1nc(CC(C)C)cs1 96459105 XZYIDTIAMGKXSZ-UHFFFAOYSA-N 214.334 2.400 0 40 BEAB CCOCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C 97055459 ASAYBBAIOLSNKU-NHYWBVRUSA-N 247.338 2.381 0 40 BEAB Cc1ccc(O)c(CN2CCCSCC2)n1 97058696 YYIZSHSSFYPUKU-UHFFFAOYSA-N 238.356 2.035 0 40 BEAB Cc1ccn2nccc2c1Br 98179711 LRNLWBOJBGBKSZ-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB C1CCN2C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 100043445 SLRCCWJSBJZJBV-PYHGIMPFSA-N 234.387 2.345 0 40 BEAB biogenic,in-vitro C[C@H](c1ccncc1)N(C)Cc1ccc(CO)o1 183709713 USMVJVSPQLKJEC-LLVKDONJSA-N 246.310 2.360 0 40 BEAB CCOc1cccc2c(NCCN)cc(C)nc12 222690283 QNOBQBLRLPNDCI-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB CCCCNCc1cccn1CCOC 223678337 AWVPIAAXORMILK-UHFFFAOYSA-N 210.321 2.024 0 40 BEAB CNC(=O)CSCc1ccc2ccccc2n1 225642859 GARSBKORCHMFMG-UHFFFAOYSA-N 246.335 2.214 0 40 BEAB Cc1cccc(N2CCN[C@H]3CCC[C@@H]32)c1 225716387 IRQBARHHMZTBRJ-KBPBESRZSA-N 216.328 2.326 0 40 BEAB CO[C@@H]1CCN(Cc2sccc2C)C1 238900898 RMAPEKAIMAKECD-SNVBAGLBSA-N 211.330 2.277 0 40 BEAB COC(=O)c1c(F)ccc(Cl)c1OC 260362643 ZSZJVUTUOUSJDI-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB in-vitro c1ccc2oc(N3Cc4cncnc4C3)nc2c1 1186740378 YKVYIXGQOQEQNR-UHFFFAOYSA-N 238.250 2.138 0 40 BEAB CCc1cccc(C)c1-n1cnc(C)n1 2362803652 UHKOZQUHXYAJLB-UHFFFAOYSA-N 201.273 2.447 0 40 BEAB COc1ccc(Oc2cnns2)cc1 1385807 PKODYJJFUYUDOL-UHFFFAOYSA-N 208.242 2.339 0 40 BEAB COc1ccc(/C=C/C=C/C(=O)O)cc1OC 1594134 JRKSVIUQRJEQDF-GGWOSOGESA-N 234.251 2.358 0 40 BEAB biogenic,in-vitro OCCCC[C@H]1CO[C@H](c2ccccc2)O1 1671355 NOHMXHKKCXAPKY-STQMWFEESA-N 222.284 2.263 0 40 BEAB C[n+]1cccc(/C=C\C(=O)Nc2ccccc2)c1 5182547 RVPPAVZBHGHYOB-KTKRTIGZSA-O 239.298 2.163 0 40 BEAB C[C@@H](Sc1ccc(Cl)cn1)C(=O)O 5920504 SHDDRLMWATUNEM-RXMQYKEDSA-N 217.677 2.300 0 40 BEAB O=C1Nc2ncccc2O[C@@H]1c1ccccc1 6750270 WCRBATJQPYIJHF-LLVKDONJSA-N 226.235 2.154 0 40 BEAB c1csc(-c2nc3c4c(ncn3n2)CCC4)c1 9576225 XTNPYUKVTFUGRQ-UHFFFAOYSA-N 242.307 2.342 0 40 BEAB CCOC(=O)[C@H](C)n1nc(C)c(Cl)c1C 12399032 OUJTYFQVVDBRPV-QMMMGPOBSA-N 230.695 2.277 0 40 BEAB Cc1ccc(NC(=O)Nc2cnccn2)cc1 15973897 XFSDWGWRKPVERM-UHFFFAOYSA-N 228.255 2.429 0 40 BEAB Cn1cccc1CNCc1ccc(C(=O)O)cc1 16382579 KJLZLLVSJJDEGZ-UHFFFAOYSA-N 244.294 2.013 0 40 BEAB Cc1cccc(C2=N[C@H]3C=NN=C3S2)c1 17957916 DWXZDMGWQGMHSA-VIFPVBQESA-N 215.281 2.255 0 40 BEAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1 19411168 QGPTVOCPVYZWIW-LLVKDONJSA-N 240.253 2.045 0 40 BEAB in-vitro N=C(N)c1ccc(Oc2ccccc2)nc1 19474182 FRQUFNFNSKQKQH-UHFFFAOYSA-N 213.240 2.158 0 40 BEAB in-vitro O=C(O)[C@H]1CCN(c2ccc(Cl)cc2)C1 20357887 AOKQMHHJOMXSMH-QMMMGPOBSA-N 225.675 2.251 0 40 BEAB C[C@@H]1CCCCN1C(=O)COc1cccc(N)c1 38054872 PYIABCKYGQVEND-LLVKDONJSA-N 248.326 2.049 0 40 BEAB C[C@@H]1CNc2ncc(Br)cc2C1 38478019 WFNARPRWIPKUJB-LURJTMIESA-N 227.105 2.448 0 40 BEAB CNCCc1cccc(Br)c1 40447860 IJCWRWHKCBWPDJ-UHFFFAOYSA-N 214.106 2.211 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)c1ccnc(F)c1 41039631 GIGXWKQKUUOQEJ-VIFPVBQESA-N 248.257 2.175 0 40 BEAB c1ccc2c(c1)ncn2C[C@H]1CCCNC1 43472097 QGJUPDPLNVQXBL-NSHDSACASA-N 215.300 2.036 0 40 BEAB CCCCNC(=O)c1ccc(OCC)nc1 44814661 BEOXBBAGPDGCQC-UHFFFAOYSA-N 222.288 2.010 0 40 BEAB CC(C)[C@H](C)NC(=O)COc1ccccc1F 49535047 MCBGIXJNZSWGCE-JTQLQIEISA-N 239.290 2.365 0 40 BEAB O=C(Oc1ccco1)[C@H]1C[C@@H]2C=C[C@H]1C2 55167666 CCLAJCJBGWIVGQ-UTLUCORTSA-N 204.225 2.397 0 40 BEAB CN(C)c1cc(C(F)(F)F)nc(Cl)n1 68580988 UZJMYBPLMQTGFK-UHFFFAOYSA-N 225.601 2.215 0 40 BEAB in-vitro CCCC[C@@H]1CCC[C@H]1NC(=O)COC 68710556 OUJYZIBTFZBTPL-GHMZBOCLSA-N 213.321 2.108 0 40 BEAB CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 70414960 PMBPWNBVQINJRH-SECBINFHSA-N 245.319 2.401 0 40 BEAB in-vitro O=C(C1CCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 72187688 MPTRLGLWTNTYEF-GFCCVEGCSA-N 247.342 2.306 0 40 BEAB CC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 80873157 GUXURKSRCUGCCA-ZJUUUORDSA-N 227.304 2.269 0 40 BEAB NC(=S)c1cc(Br)ccc1F 83256242 CGRYONBRURJIIK-UHFFFAOYSA-N 234.093 2.222 0 40 BEAB CCOc1cc(-c2nc(CC)n[nH]2)ccc1O 85384671 PKWFJLVUAMGWSP-UHFFFAOYSA-N 233.271 2.138 0 40 BEAB Cc1nc2nc(C3CCCCC3)nn2c(O)c1C 95481162 MJURONICGUKAIV-UHFFFAOYSA-N 246.314 2.494 0 40 BEAB Cc1ccc(C(=O)Nc2ccncc2F)cn1 95975727 CSXHAZKQLZTSQD-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB CC(C)C(=O)Nc1cc(-c2ccccn2)no1 96183989 GTGILUDRQHSJCB-UHFFFAOYSA-N 231.255 2.331 0 40 BEAB COc1cc(Br)c(O)c(C(C)=O)c1 96287888 UZMBNNJODDVBOM-UHFFFAOYSA-N 245.072 2.366 0 40 BEAB CSC[C@](C)(O)CNc1ccc(Cl)cn1 96453687 HMISSGGCCKLHCV-SNVBAGLBSA-N 246.763 2.261 0 40 BEAB Cc1nc(N)c(Cl)cc1Br 98175459 LIMWZICFXKOGTN-UHFFFAOYSA-N 221.485 2.388 0 40 BEAB O[C@H]1CC[C@H](NCc2ccccc2F)CC1 100173847 NHCOMEZLJSALQB-TXEJJXNPSA-N 223.291 2.219 0 40 BEAB Cc1ccc(CN(C)[C@H]2C[C@@H](C)OC2=O)c(C)c1 107569462 LCGBZLIALHHGHC-OCCSQVGLSA-N 247.338 2.439 0 40 BEAB CN(C)CC[C@H](N)CSc1ccccc1 116471080 AMNYAHNHKFYZOU-NSHDSACASA-N 224.373 2.058 0 40 BEAB O=C1OCc2c1cccc2C(F)(F)F 140263434 XVKXWTZYWMSYJX-UHFFFAOYSA-N 202.131 2.376 0 40 BEAB Ic1cn[nH]c1C1CCC1 242723033 YBSPOWHPMVTNGZ-UHFFFAOYSA-N 248.067 2.282 0 40 BEAB O=C(C[C@@H]1C=CCCC1)N1CC(CF)C1 335215174 IZOOLVPQFFKHKS-SNVBAGLBSA-N 211.280 2.161 0 40 BEAB CC[C@@H](C)Oc1ccc(/C=C\C(N)=O)cc1OC 361634173 BERAFTVDDKKLHM-BJPMOSCESA-N 249.310 2.371 0 40 BEAB C[C@H](C(=O)O)n1cc(Cl)c(C(F)F)n1 408716874 SCMWSJZBLOFXDU-GSVOUGTGSA-N 224.594 2.120 0 40 BEAB O=C(NCc1ccc(C2CC2)nc1)c1ccco1 1565523527 RNZODTMGMASJDC-UHFFFAOYSA-N 242.278 2.482 0 40 BEAB COC(=O)CSCc1cccs1 157431 RPAFSNFNWDYIBQ-UHFFFAOYSA-N 202.300 2.154 0 40 BEAB CCOc1ccc(C(=O)Nc2nncs2)cc1 892736 RWHXCOGBOKYHRW-UHFFFAOYSA-N 249.295 2.189 0 40 BEAB Cc1cccc(OC[C@@H](O)CN2CCCCC2)c1 895922 UNJVLELDYUHSIM-AWEZNQCLSA-N 249.354 2.221 0 40 BEAB COc1ccccc1C(=O)NC1CCCC1 1009417 GHZQAOUCACNVGB-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB CCC[C@@]1(c2ccccc2)OC[C@@H](CO)O1 1696798 WTRULDHVZHPDHC-CHWSQXEVSA-N 222.284 2.047 0 40 BEAB CCN(CCOC(C)=O)c1cccc(C)c1 2504584 KMLMCHZWMDCYPI-UHFFFAOYSA-N 221.300 2.384 0 40 BEAB O=C(O)Cc1cc(Cl)c2c(c1)OCCCO2 4218938 CJINJZBZXGTZQD-UHFFFAOYSA-N 242.658 2.128 0 40 BEAB CNc1ncnc2c3cc(OC)ccc3n(C)c12 4295269 PHCZZAPLQJTKLX-UHFFFAOYSA-N 242.282 2.172 0 40 BEAB Oc1ccc(CNCc2ccco2)cc1 6322484 JBPCVNXGKWPNRG-UHFFFAOYSA-N 203.241 2.275 0 40 BEAB in-vitro O=C(CCn1ccc2ccccc21)NC1CC1 8077216 FZBXFNQBZXUEGP-UHFFFAOYSA-N 228.295 2.310 0 40 BEAB CCOc1ccccc1N[C@H](CC)C(=O)O 8702744 APNIEOLTQAZWAY-SECBINFHSA-N 223.272 2.360 0 40 BEAB O=C(Nc1cc(F)cc(F)c1)c1cnccn1 9114285 CKGQWGOCHQJYTC-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB CC(C)NC(=O)CNc1ccc(Cl)cc1 9454417 HHKXKXTZBHIASZ-UHFFFAOYSA-N 226.707 2.277 0 40 BEAB CCOc1ccccc1NC(=O)/C(C)=C\C(=O)O 11566356 ZLHXBAQHEVPYRP-HJWRWDBZSA-N 249.266 2.055 0 40 BEAB Cc1ccc(OCCN2CCC(CN)CC2)cc1 11889107 IHIRHPJPORIVPB-UHFFFAOYSA-N 248.370 2.045 0 40 BEAB COc1cc(C)nc2ccc(C(=O)O)cc12 13362456 SVAHSBZBRCAQBS-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB CCc1ccc2nc(NCCN)c(C)cc2c1 13998020 OWAIVHWPFZIHHV-UHFFFAOYSA-N 229.327 2.476 0 40 BEAB CCn1ncc(C(=O)N2CCCCCC2)c1C 16971821 QUVFYFLWRDBPCZ-UHFFFAOYSA-N 235.331 2.228 0 40 BEAB CC(C)c1ccc([C@@H](CN)N(C)C)cc1 19796040 BSDWAFYGYONRKD-CYBMUJFWSA-N 206.333 2.371 0 40 BEAB Nc1ccsc1-c1nc(C2CC2)no1 21792649 IMLBWNDAUAIWRB-UHFFFAOYSA-N 207.258 2.258 0 40 BEAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C1CC1 25593045 BZEWEFKNPLIEEP-QMMMGPOBSA-N 229.283 2.091 0 40 BEAB C[C@@H]1C[C@@H](N2CCCc3ccccc32)C(=O)O1 36396610 YWQFJMKZRJTAKW-ZWNOBZJWSA-N 231.295 2.143 0 40 BEAB N[C@@H](c1ccc(Cl)cc1)c1ncccn1 37658149 IPQYIDQHEKVEDR-JTQLQIEISA-N 219.675 2.178 0 40 BEAB CC(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 38337542 CZYVQRKGXAUTPZ-SSDOTTSWSA-N 226.659 2.474 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCCC[C@@H]1C 40521061 PLLGXJQJNLAPSY-NWDGAFQWSA-N 227.348 2.449 0 40 BEAB CCO[C@@H](C)C(=O)N1CCC[C@H](CC)C1 40534006 KQPNHULJUJXFBJ-QWRGUYRKSA-N 213.321 2.060 0 40 BEAB COC(=O)Nc1ccc(C(=O)O)c(Cl)c1 42417421 VSFSPZWIWBTWIT-UHFFFAOYSA-N 229.619 2.217 0 40 BEAB Cc1cccc(C(=O)CCC(=O)O)c1C 43368630 YCVFZBYTHWRPRA-UHFFFAOYSA-N 206.241 2.351 0 40 BEAB CCOC(CCO[C@@H]1CCCCO1)OCC 43503328 ZLCNBNMNBUMLIP-LLVKDONJSA-N 232.320 2.319 0 40 BEAB Cc1ccc(CN2CCOC[C@@H]2C)cc1 46774116 UXOJAKGZFGFVPC-LBPRGKRZSA-N 205.301 2.216 0 40 BEAB CCCNC(=N)NC12CC3CC(CC(C3)C1)C2 52063700 OINNLTCZKAGYLM-UHFFFAOYSA-N 235.375 2.479 0 40 BEAB CCn1cc(C(=O)O)c(=O)c2cc(C)cc(C)c21 54008455 AFDVFZHCFIWGSB-UHFFFAOYSA-N 245.278 2.336 0 40 BEAB O=C(c1ccc(Br)cc1)N1CCC1 60632882 DZQKIBIXQBMKRW-UHFFFAOYSA-N 240.100 2.295 0 40 BEAB CCc1ccc2ncc3c(c2c1)OCCOC3=O 62719736 VONMZDLLRRULFG-UHFFFAOYSA-N 243.262 2.346 0 40 BEAB O=C(O)c1cnc(C2(c3ccccc3)CC2)nc1 62782295 MKHUJAAHQUICMW-UHFFFAOYSA-N 240.262 2.255 0 40 BEAB COc1ccncc1NC(=O)C(C)(C)C 65591221 MBJUSDJVEVROER-UHFFFAOYSA-N 208.261 2.075 0 40 BEAB CC(C)(C)C(=O)N1CCC[C@H]1c1cnccn1 72187587 YRNPTINPQLYNBM-NSHDSACASA-N 233.315 2.186 0 40 BEAB CNC(=O)C[C@H](c1ccccc1)[C@H]1CCCCN1 72208330 GINGSGJMUDUGCH-ZIAGYGMSSA-N 246.354 2.048 0 40 BEAB O=CN1CCC[C@@H]1c1cccnc1NC1CCC1 72213886 LRTULODMBKDUSZ-CYBMUJFWSA-N 245.326 2.339 0 40 BEAB Cc1cc([C@@H](C)O)cnc1N1CCCCC1 72222457 ABOMIMOFIDMXDL-LLVKDONJSA-N 220.316 2.434 0 40 BEAB NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 72406705 CHBQGFRKOKEJCF-IUCAKERBSA-N 229.201 2.294 0 40 BEAB CN(Cc1ccno1)[C@H](CCO)c1ccccc1 72772814 ANSVMSRUTQCYFJ-CQSZACIVSA-N 246.310 2.230 0 40 BEAB COc1ccc([C@H]2CNCCN2C(C)C)cc1 77369921 DKBLZPOXUPBSLH-CQSZACIVSA-N 234.343 2.050 0 40 BEAB CCOC(=O)c1ccc(C(=O)O)c(Cl)c1 82046526 ISWSHAUYECCMOP-UHFFFAOYSA-N 228.631 2.215 0 40 BEAB COc1ccc([C@@H]2[C@@H](CN)CCCN2C)cc1 82341588 KCCPEDRPGGXQRU-TZMCWYRMSA-N 234.343 2.037 0 40 BEAB in-vitro c1ccc(CN2CCC[C@]3(CCCN3)C2)cc1 82346505 OOKMXRYWLZPJSM-OAHLLOKOSA-N 230.355 2.405 0 40 BEAB in-vitro CC1CC(C(=O)N2CCS[C@@H](C)[C@H]2C)C1 84766869 IJDTUOJQTXCTLD-WIFZPCQCSA-N 227.373 2.385 0 40 BEAB N[C@@H]1C[C@@H](C(F)(F)F)Cc2occc21 85399131 WTRHZUQGCLVJNE-IYSWYEEDSA-N 205.179 2.404 0 40 BEAB c1ccc2cc([C@H]3CNCCN3)ccc2c1 95067850 DNMNNHMPDTUAFG-CQSZACIVSA-N 212.296 2.074 0 40 BEAB in-vitro O=C(Nc1cc(O)cc(F)c1)C1=CCCCO1 95450282 NFSRMOFUVRSWLM-UHFFFAOYSA-N 237.230 2.164 0 40 BEAB O=C(O)[C@@H]1CCC[C@H](OC(F)(F)F)C1 96395138 WUWTUKRPGKAVNA-RITPCOANSA-N 212.167 2.166 0 40 BEAB O=C(NC1CC1)NC1C2CC3CC(C2)CC1C3 96402265 BHPZGNGOFVBYJG-UHFFFAOYSA-N 234.343 2.273 0 40 BEAB Ic1ccc2ncoc2c1 97463402 FQSWSHYSQCIVSE-UHFFFAOYSA-N 245.019 2.432 0 40 BEAB C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCOC1 98012600 MKOCFTQHXXTDQT-AAEUAGOBSA-N 245.322 2.391 0 40 BEAB CCCCOc1ccc([C@@H](C)NN)cc1 98123906 KMIZBLWYLBPOJX-SNVBAGLBSA-N 208.305 2.390 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@@H]2[C@H](C)O)c1 108350713 XIQGGSRGDTUMQB-CKLFPEKLSA-N 222.284 2.188 0 40 BEAB COC(=O)c1[nH]ccc1-c1ccccc1 138376500 ASPLPDHRMDKHEQ-UHFFFAOYSA-N 201.225 2.468 0 40 BEAB NC(=O)Nc1ccc(C(F)(F)F)cc1F 144969656 MCNRKFGICFMITE-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB NN[C@H](c1cc(F)cc(F)c1)C(F)(F)F 161797073 KEQLWXQXQKPZMO-SSDOTTSWSA-N 226.148 2.032 0 40 BEAB CCn1cc(Cc2ccccc2C)nc1N 199550091 DFFYNJZULZRCPT-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB CCc1cn(-c2cccc(C(=O)OC)c2)cn1 199821360 IHNHLAPWOWKYBU-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB Cc1cn[nH]c1[C@@H]1CCN(Cc2cncs2)C1 205688012 YAXKMQPPYSUGHD-SNVBAGLBSA-N 248.355 2.164 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1Cc1ccc(F)cc1F 217824670 ZRXQSJZQVYCUDU-IONNQARKSA-N 212.195 2.228 0 40 BEAB CC(C)CNc1ccc(N)cc1C(=O)NC1CC1 225453552 GZNXEZCEKNZZKH-UHFFFAOYSA-N 247.342 2.229 0 40 BEAB CN1C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](N)C1 225606719 UIWXGHGHPNUHNF-KCJUWKMLSA-N 245.153 2.350 0 40 BEAB COc1ccccc1CNc1cc(C)nn1C 237188467 GVKDHJCFIGYAFO-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CN1[C@H]2CC[C@H]1[C@H](NCc1ccccc1)C2 245232184 QDALOTCIMGNUTF-MJBXVCDLSA-N 216.328 2.011 0 40 BEAB COC(=O)c1ccc(OC)c(Cl)c1F 261089038 UTTGXXFRPNJLAY-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB COC(=O)c1c(Cl)cnn1C1CCCC1 408716741 QKRUCVVSDUYNKL-UHFFFAOYSA-N 228.679 2.438 0 40 BEAB CC[C@@H](C)N1CCC[C@]2(CN(C(C)C)C2=O)C1 585099692 YIKDKAUOMQAHCL-TZMCWYRMSA-N 238.375 2.118 0 40 BEAB C[C@H]1COC(c2cc(C(F)(F)F)ccn2)=N1 642771918 RKQJMLTXHLVNGQ-LURJTMIESA-N 230.189 2.266 0 40 BEAB O=C(O)[C@@H]1OCCC[C@H]1c1ccccc1 1535642529 MHFZHWXWHLGJQQ-WDEREUQCSA-N 206.241 2.034 0 40 BEAB CCOC(=O)n1c(=O)oc2ccc(Cl)cc21 35201 PXGIZDAJJVNROD-UHFFFAOYSA-N 241.630 2.253 0 40 BEAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)O 316311 CVVGRNCBKTYVCX-SECBINFHSA-N 232.283 2.319 0 40 BEAB S=c1[nH]cnc2c1ncn2-c1ccccc1 1628318 BSTSCSJWUHZJPL-UHFFFAOYSA-N 228.280 2.478 0 40 BEAB CC(C)OC(=O)C(=O)Nc1cccc(Cl)c1 1689077 AKQLILNIFMOGQL-UHFFFAOYSA-N 241.674 2.230 0 40 BEAB CC(C)(C)C(=O)Nc1ccc(C(=O)O)c(O)c1 3648328 PGZUHXYFQKRZHS-UHFFFAOYSA-N 237.255 2.075 0 40 BEAB O=C1O[C@H](O)c2cccc3cccc1c23 5218032 IKHBRFXMNHCNDC-NSHDSACASA-N 200.193 2.001 0 40 BEAB CCCCNC(=O)c1cccnc1Cl 5712693 LBORWQKGAKVTME-UHFFFAOYSA-N 212.680 2.265 0 40 BEAB CC1=C2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O 9222059 XJHDMGJURBVLLE-XGUWZRRLSA-N 246.306 2.420 0 40 BEAB O=C1CSC(Nc2cccc(Cl)c2)=N1 12393135 HDPOWWWAERDNOX-UHFFFAOYSA-N 226.688 2.381 0 40 BEAB N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 19260647 WMMPTAKSLQNVBD-QWRGUYRKSA-N 244.260 2.008 0 40 BEAB C[C@H]1CN2CCC[C@@H]2CN1Cc1cccc(F)c1 19575776 GETWVEJSRHTUMV-SWLSCSKDSA-N 248.345 2.494 0 40 BEAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1N 20220724 PQDRWJUBXAQJQO-SNVBAGLBSA-N 232.327 2.449 0 40 BEAB CCCn1nccc1CNc1cnn(CC)c1 20351022 ZTRQHQNUBLKDMH-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB CC(C)CCNC(=O)c1noc2c1CCCC2 20468535 MWXIHVJIEOTYBN-UHFFFAOYSA-N 236.315 2.329 0 40 BEAB Cc1ccc(C(=O)c2ccc(C(=O)O)n2C)cc1 21981727 BLPHGTJTLVVCDK-UHFFFAOYSA-N 243.262 2.263 0 40 BEAB NCC[C@@H]1CCc2ccc3c(c21)CCO3 22005776 BFNUHWYOQCGTCA-JTQLQIEISA-N 203.285 2.000 0 40 BEAB in-vitro C[C@@H](CCCC(C)(C)O)Nc1ncccn1 22034739 YBMRTWVXIVWCON-JTQLQIEISA-N 223.320 2.218 0 40 BEAB O=C(Nc1ccc(F)cc1)C1CCOCC1 25131523 DIBFWLNNXGQTTG-UHFFFAOYSA-N 223.247 2.191 0 40 BEAB Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 27915710 MAOUXMDDMPXMNQ-VXGBXAGGSA-N 241.294 2.162 0 40 BEAB CCCc1n[nH]c(S[C@@H]2CCCCC2=O)n1 31794949 LTIJMDIAKGKLCE-SECBINFHSA-N 239.344 2.361 0 40 BEAB CSCCC(=O)N1C[C@@H](C)C[C@H](C)C1 33023787 BGKMIJJZBSSZOC-UWVGGRQHSA-N 215.362 2.244 0 40 BEAB Fc1cc(F)cc(CO[C@H]2CCCNC2)c1 35781815 KRCWEPWTPJCNQD-LBPRGKRZSA-N 227.254 2.233 0 40 BEAB FC(F)(F)c1cccc(C[C@@H]2CNCCO2)c1 35837692 VKNXFHCIEDAJGJ-LLVKDONJSA-N 245.244 2.236 0 40 BEAB O=C(O)c1cc(F)cc2[nH]c(=S)[nH]c12 36379654 ASXXJQDETZYEJF-UHFFFAOYSA-N 212.205 2.063 0 40 BEAB CCNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 38566758 MWJMJPJFFJEVIN-LBPRGKRZSA-N 248.326 2.214 0 40 BEAB O=c1ccccn1Cc1ccc(F)cc1 40464715 UPVYWBFZWOVCFA-UHFFFAOYSA-N 203.216 2.036 0 40 BEAB O=C(O)C1(NCc2ccccn2)CCCCCC1 41764657 XIXFRWLCKSEGQY-UHFFFAOYSA-N 248.326 2.349 0 40 BEAB CC(C)CO[C@H](C)C(=O)NCc1cccs1 42381540 CFSJFJNTJBQYFE-SNVBAGLBSA-N 241.356 2.425 0 40 BEAB Clc1ccc(COC[C@H]2CCNC2)cc1 42771981 KMNKCLSILVIZBZ-NSHDSACASA-N 225.719 2.466 0 40 BEAB CC(=O)c1ccc(OC[C@@H]2CCCNC2)cc1 42775787 PWXQXSQWIZQPET-GFCCVEGCSA-N 233.311 2.268 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)c1cnccn1 44630035 CDZIAHZBTDHYRV-MRVPVSSYSA-N 223.276 2.062 0 40 BEAB COCCN(Cc1ccccc1)C1CC1 55971080 UAVNLUXTSXLYRB-UHFFFAOYSA-N 205.301 2.297 0 40 BEAB O=C(CCc1ccncc1)N1CCCCC1 60792711 QOQHPIABDGEGLF-UHFFFAOYSA-N 218.300 2.027 0 40 BEAB Nc1cnn(Cc2ccc(F)c(Cl)c2)c1 71978756 YWJUIJHBKPECAG-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB C[C@@H](N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208702 UHURVYQOXPFTNJ-ZJUUUORDSA-N 228.336 2.123 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cccnc1C 72211322 DZSYEZRXQTVEHU-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB Cn1cnc2cc(C(=O)N3CCCCC3)ccc21 74705404 NOKUWKHMADRJPH-UHFFFAOYSA-N 243.310 2.199 0 40 BEAB C[C@@H]1CC[C@@H](C(=O)N2CC(C)(C)C2(C)C)O1 89922802 FSHJBLIITCIKMH-ZJUUUORDSA-N 225.332 2.201 0 40 BEAB Cc1ncccc1NCc1cccc(C(N)=O)c1 91495786 GHIZVXJDYZYYIG-UHFFFAOYSA-N 241.294 2.101 0 40 BEAB Cc1cncc(C(=O)OCc2ccoc2)c1 95426579 OOBGPOBAGCYQFN-UHFFFAOYSA-N 217.224 2.340 0 40 BEAB C[C@@H](N[C@@](C)(CO)C1CC1)c1ccco1 97045731 IEXVTNOINUVLHD-SKDRFNHKSA-N 209.289 2.091 0 40 BEAB CCOc1cccc(CS[C@@H](C)CO)n1 97085507 HHEDEAIDWVXIDA-VIFPVBQESA-N 227.329 2.094 0 40 BEAB C[C@H](O)[C@@H]1CCCN(Cc2ccsc2)C1 97162221 JDUAPMVTYRTUMM-CMPLNLGQSA-N 225.357 2.341 0 40 BEAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc[nH]n1 98013211 BPKXLFHVBLQOGN-ZYHUDNBSSA-N 233.315 2.108 0 40 BEAB CCOC(=O)C1=NC[C@@H](c2ccccc2)S1 98086077 KQLRFDGULVQHBX-JTQLQIEISA-N 235.308 2.436 0 40 BEAB CNc1coc(-c2cccc(OC)c2)n1 100284573 OQVVVRPBYLDTFW-UHFFFAOYSA-N 204.229 2.392 0 40 BEAB Cc1ccccc1NC(=O)CC(=O)C(F)(F)F 100645490 JZWWBGMNRCIFFT-UHFFFAOYSA-N 245.200 2.455 0 40 BEAB COc1ccc2c(c1)c(C=O)cn2C(C)=O 167503131 WNULZUJAJYPRHS-UHFFFAOYSA-N 217.224 2.123 0 40 BEAB c1ccc(N2CCC[C@H](Cc3ccn[nH]3)C2)nc1 205695903 WONPPWOVLMMXIK-GFCCVEGCSA-N 242.326 2.264 0 40 BEAB CCNC(=O)c1ccc(NCC(C)C)c(N)c1 213362322 FUTGXYGLPMOOIP-UHFFFAOYSA-N 235.331 2.086 0 40 BEAB Cc1ccc(CN[C@@H]2CCCC[C@@H]2N)cc1 218854575 ONBQDJOJQCEANE-UONOGXRCSA-N 218.344 2.355 0 40 BEAB CCOCCN1CCC(Cc2ccncc2)CC1 257339055 ZAANEQDJMKWAFV-UHFFFAOYSA-N 248.370 2.373 0 40 BEAB CCCCN(C)C(=O)c1cnc(SC)nc1 408533737 RZNPNEKPNNOSRA-UHFFFAOYSA-N 239.344 2.071 0 40 BEAB COCc1nn(C(C)C)cc1Br 408715602 WMUAITHAVJBWQH-UHFFFAOYSA-N 233.109 2.373 0 40 BEAB Cc1cccnc1O[C@H]1CCC[C@@H]1N(C)C 585655170 VXTJIUDNLSUORL-RYUDHWBXSA-N 220.316 2.252 0 40 BEAB COc1ccc2cc(C=O)c(N(C)C)nc2c1 685938807 YZYVUDXRWSYFEZ-UHFFFAOYSA-N 230.267 2.122 0 40 BEAB COCC(=O)Nc1nc2c(C)cccc2s1 13093 DMHDNGPTAPOXIB-UHFFFAOYSA-N 236.296 2.190 0 40 BEAB COC(=O)CNc1cccc(C(F)(F)F)c1 416150 NXDJBFSBMWZWMC-UHFFFAOYSA-N 233.189 2.290 0 40 BEAB in-vitro COC(=O)/C=C/c1cncc2ccccc12 1383651 PUGNCMWPWJFYCX-VOTSOKGWSA-N 213.236 2.421 0 40 BEAB ClC1(Cl)[C@H]2CCCC3(OCCO3)[C@@H]21 1766097 ANGZSUYAEODLHM-NKWVEPMBSA-N 223.099 2.333 0 40 BEAB Cc1nn(COc2ccc(F)cc2)c(C)c1N 2535098 VAUPTEYZYKVYNL-UHFFFAOYSA-N 235.262 2.258 0 40 BEAB CC(C)(C)NC[C@H](O)COCc1cccs1 2641748 BJDMHJQVSRBVIY-JTQLQIEISA-N 243.372 2.014 0 40 BEAB CC(C)(C)NC[C@@H](O)COCc1cccs1 2641750 BJDMHJQVSRBVIY-SNVBAGLBSA-N 243.372 2.014 0 40 BEAB CCC(=O)N(C)CC(=O)Nc1cccc(C)c1C 3448149 LEKAKTWSZGNHSZ-UHFFFAOYSA-N 248.326 2.110 0 40 BEAB CCCC(=O)NCCc1cn2ccc(C)cc2n1 4248439 LXYXPJJCKXLGAS-UHFFFAOYSA-N 245.326 2.102 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=S)NC2CC2)C1 13827488 ZDPKKDDUHJJTQO-DTORHVGOSA-N 212.362 2.001 0 40 BEAB CCN(CC)CCOc1ccc(N)cc1F 14630601 VODDELUCXSQUHD-UHFFFAOYSA-N 226.295 2.129 0 40 BEAB O=C(Cc1cccc(F)c1)Nc1cccnc1 15436394 FGKPYXZGECYPOS-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB C[C@@H](NC(=O)C1CCCC1)c1ccccn1 15512735 OKXFONYBTYCVKO-SNVBAGLBSA-N 218.300 2.449 0 40 BEAB Cc1nc(CSc2ccccc2)cc(=O)[nH]1 15987502 XYJWZPBOPQEQRO-UHFFFAOYSA-N 232.308 2.371 0 40 BEAB Cc1cccc(NC(=O)[C@@H]2CCCCN2)c1 19412118 OVQKJBGABZEIRR-LBPRGKRZSA-N 218.300 2.076 0 40 BEAB COc1ccc(CCNCC(C)C)cc1OC 19902430 RKPHYIIQNBDAMO-UHFFFAOYSA-N 237.343 2.492 0 40 BEAB CN(Cc1ccccc1)C[C@H]1CCCNC1 20270219 UETMQEAPDZZSCO-AWEZNQCLSA-N 218.344 2.118 0 40 BEAB CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 23182075 RKEGHIMCSIDPJG-NSHDSACASA-N 243.310 2.289 0 40 BEAB COC(=O)c1cccc(NC(=O)N2CCCC2)c1 32500451 YQCLAMCQFGASND-UHFFFAOYSA-N 248.282 2.101 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)c1ccco1 36398508 RCTGTFJSNPGIPX-SECBINFHSA-N 219.240 2.234 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1ccnc(N(C)C)c1 40088442 MOVMAPLYZGGFCV-LLVKDONJSA-N 247.342 2.162 0 40 BEAB O=C(CC[C@@H]1CCCO1)NC1CCCC1 40506035 SHYLECRZJOFRKY-NSHDSACASA-N 211.305 2.004 0 40 BEAB COc1cccc(CC(C)(C)C(=O)O)c1 41217189 GZLHHYQMKWFNLI-UHFFFAOYSA-N 208.257 2.349 0 40 BEAB COc1ncccc1NC(=O)c1cccs1 47553891 PPKUYWMLLCISIK-UHFFFAOYSA-N 234.280 2.404 0 40 BEAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC1 49890169 BMBWALWZTBEFIF-SSDOTTSWSA-N 241.237 2.011 0 40 BEAB CC(C)Oc1cccc(CN2CCC[C@H](O)C2)c1 51203923 QOBZWDKLLFKEGM-AWEZNQCLSA-N 249.354 2.431 0 40 BEAB COC(=O)c1cc(C=O)ccc1N1CCCCC1 71788939 GDYZHUQIHFBIKV-UHFFFAOYSA-N 247.294 2.276 0 40 BEAB CC(=O)N1CCCC[C@H]1c1cccc(C)n1 72211111 RQNUIWKNUZUJPW-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB c1cnc(N2CCC[C@@H](c3ccncc3)C2)nc1 72357246 VUVDPFGWJQMKGX-CYBMUJFWSA-N 240.310 2.256 0 40 BEAB C[C@H]1CCCCCN1C(=O)Nc1ccn(C)n1 75612655 LMFKILOSSUMEAU-JTQLQIEISA-N 236.319 2.217 0 40 BEAB CC(C)N(CCO)Cc1nccc2ccccc12 79422044 RILPRCNHSYKDIO-UHFFFAOYSA-N 244.338 2.438 0 40 BEAB CC(C)c1nccn1CC1(O)CCCC1 83588145 VRSHYJSMFLAANU-UHFFFAOYSA-N 208.305 2.312 0 40 BEAB CC[C@H](C)C(=O)NC(C)(C)C(C)(C)C(=O)O 83643888 AWCHDGPGFYGGGD-QMMMGPOBSA-N 229.320 2.038 0 40 BEAB COC(=O)[C@H]1OC12CCC(C(C)C)CC2 84324065 WLOWKJJDDPFJOZ-SQLBVSGCSA-N 212.289 2.143 0 40 BEAB Cc1cc(-c2ccc(C(=O)O)o2)nc(C)n1 85392455 DHQXGTRPTMWZIP-UHFFFAOYSA-N 218.212 2.052 0 40 BEAB CCC1CCC2(CC1)O[C@@]2(C)C(=O)OC 85657946 GYAWPKCREUQGKJ-ZYXZCXLHSA-N 212.289 2.287 0 40 BEAB CCOC(=O)c1cc(N)n(C(CC)CC)n1 95094670 ZUCDIBOJCDRTKH-UHFFFAOYSA-N 225.292 2.003 0 40 BEAB CSC[C@@H](C)OC(=O)c1cncc(C)c1 95426607 KJNINRSOYTWXRZ-SECBINFHSA-N 225.313 2.298 0 40 BEAB CCc1ccc(NC[C@H]2C[C@H]2CN)cc1 96509424 LWWYZGKFDTUAQN-NWDGAFQWSA-N 204.317 2.256 0 40 BEAB CC(C)c1nc(Cn2cc(N)cn2)cs1 96526520 KRMWSGPNOYNQMT-UHFFFAOYSA-N 222.317 2.094 0 40 BEAB CC(C)(C)[C@H](O)CNC[C@H]1CC=CCC1 97020828 WQSFXPBWZZSUGD-NWDGAFQWSA-N 211.349 2.339 0 40 BEAB CCOC(=O)[C@H]1CS[C@H](C2CCCCC2)N1 98072743 JCJZOMFERPNRMY-GHMZBOCLSA-N 243.372 2.161 0 40 BEAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 100076810 KSFSPONBBCBZQT-AXFHLTTASA-N 241.331 2.014 0 40 BEAB Cc1cnn(CCCNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 101542711 HWZZJHUAQLDUDH-KKUMJFAQSA-N 245.370 2.383 0 40 BEAB CCn1c(=O)c(Cl)nc2ccccc21 149987359 IXOBNBZVJNXHJF-UHFFFAOYSA-N 208.648 2.070 0 40 BEAB Cc1nn(C)cc1NCc1cnn(C(C)C)c1 189572331 KUEJNAQPDCVIRT-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB O=C1[C@@H]2[C@@H]3[C@H]4[C@H]2[C@@H]2C[C@H]4[C@H]([C@H]12)C3(Cl)Cl 195529093 LOPCDUAQBZDNKR-JRGGDPNFSA-N 229.106 2.117 0 40 BEAB CCc1cn(-c2ccc(N)cc2OC)cn1 199779946 ZITRIIGVJJHSFS-UHFFFAOYSA-N 217.272 2.026 0 40 BEAB CCOc1ccc(-c2ccc(C(N)=O)o2)c(N)c1 226301897 NKFKQPWHUATBCC-UHFFFAOYSA-N 246.266 2.026 0 40 BEAB O=C1CCCc2sc(Br)nc21 230537095 HETQKOGDGWAIAG-UHFFFAOYSA-N 232.102 2.425 0 40 BEAB O=C1OCOc2c1ccc(Br)c2F 258329921 BQLBVRBSHJOSRM-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB Cc1cc([C@H](O)CNC(=O)C(C)(C)C)c(C)o1 1565519833 PPJQWFZLAYAXHG-LLVKDONJSA-N 239.315 2.092 0 40 BEAB COc1cccc(=O)c2c(C)oc(C)c12 297694 DOQWUCGTHCWHNF-UHFFFAOYSA-N 204.225 2.418 0 40 BEAB CCOC(=O)c1c(C)cc2ccccn12 1591193 DOYCJNQDDMPBRR-UHFFFAOYSA-N 203.241 2.424 0 40 BEAB CC(=O)[C@@H]1CCN(Cc2ccccc2)C1 1613347 JKIQGQRVJAOUFQ-CYBMUJFWSA-N 203.285 2.098 0 40 BEAB in-vitro COc1ccc(NC(=O)C(F)(F)F)c(OC)c1 3093719 NEKHRNLZTOZNON-UHFFFAOYSA-N 249.188 2.205 0 40 BEAB CC(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 3504279 ZDFSHYKCCISRDQ-UHFFFAOYSA-N 249.310 2.183 0 40 BEAB C/C=C/C=C(\NC(=O)c1cccc(C)c1)C(=O)O 4525246 ACVRFRXENNMEPE-QOROXLEMSA-N 245.278 2.269 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)/C2=C\CC(=O)O 4701291 RGKKHMAZNHLDGM-FIJHRPJHSA-N 224.300 2.205 0 40 BEAB CCOC(=O)c1ccc2cccnc2c1 4773471 PPZOEUCJAYRMHY-UHFFFAOYSA-N 201.225 2.412 0 40 BEAB COC(=O)c1cc2ccc(C)cc2n1C 8414254 CCRLJNORBGOVIC-UHFFFAOYSA-N 203.241 2.273 0 40 BEAB CCOc1ccc(O[C@@H](CC)C(=O)O)cc1 8729622 ZUYNVKYBZLGKMH-NSHDSACASA-N 224.256 2.327 0 40 BEAB Cc1cccc(CC(=O)N[C@H](C)[C@@H]2CCCO2)c1 13320068 MVPYMUWRFGFCQJ-OCCSQVGLSA-N 247.338 2.221 0 40 BEAB CCOC(=O)c1ccc2nc3ccccc3n2n1 16687906 XMVDBWWOJPGWRG-UHFFFAOYSA-N 241.250 2.059 0 40 BEAB Nc1ccccc1NC(=O)Cc1ccccc1 19273666 DIHWGGRWJUIUJV-UHFFFAOYSA-N 226.279 2.450 0 40 BEAB CCOC(=O)CC(=O)c1cc(C)oc1C 20475444 GPKRGDJMWKJLNF-UHFFFAOYSA-N 210.229 2.032 0 40 BEAB CCC[C@H](C(=O)OC)N1CCCCCC1 22538727 YCCIMRALIAVERT-LLVKDONJSA-N 213.321 2.204 0 40 BEAB Cc1nc2ccccc2n1CCNC(=O)C(C)C 24477332 VGBKYJPFRLBINF-UHFFFAOYSA-N 245.326 2.117 0 40 BEAB COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1 25592976 RZGOKNIVAKPJEW-VIFPVBQESA-N 219.284 2.224 0 40 BEAB NC(=O)c1cccnc1SC1CCCC1 29360992 YPUVLMIZBDUNFW-UHFFFAOYSA-N 222.313 2.215 0 40 BEAB Fc1ccccc1-c1nnc(CN2CCCC2)o1 30824859 XRXZZMPPKJQVFR-UHFFFAOYSA-N 247.273 2.472 0 40 BEAB O=C(CCc1nc2ccccc2[nH]1)N1CCCC1 32814921 PVYHAAPORJFKHK-UHFFFAOYSA-N 243.310 2.118 0 40 BEAB O=C1CCc2cc(NC(=O)C3CCC3)ccc2N1 33065700 UECRZTJNSYKSQB-UHFFFAOYSA-N 244.294 2.310 0 40 BEAB Cc1ccc(C)c(-n2cc(C=O)cn2)c1 36720444 YJERKUNXFGQHLL-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB COCCN(C)Cc1ccc(SC)cc1 40475869 MMNZZEMBFBVHCY-UHFFFAOYSA-N 225.357 2.487 0 40 BEAB COCC(=O)N[C@H](C)c1cc(C)sc1C 40509372 MQWXGTJLAMCSJF-MRVPVSSYSA-N 227.329 2.189 0 40 BEAB N[C@@H](CCO)c1ccccc1C(F)(F)F 44232193 SZDSETNDCNRZBB-VIFPVBQESA-N 219.206 2.088 0 40 BEAB Cc1ncsc1C(=O)NCC1CCCC1 46578640 RCMGKXYHVRDOAC-UHFFFAOYSA-N 224.329 2.372 0 40 BEAB CC(C)NC(=S)N[C@@H](C)c1ccccn1 47807688 YKQWYTRRHZDUPU-VIFPVBQESA-N 223.345 2.015 0 40 BEAB CC(C)c1cc(NC(=O)c2ccncc2)[nH]n1 49044562 JLRTXYZXJFNEBR-UHFFFAOYSA-N 230.271 2.180 0 40 BEAB Cc1ccc(C)c(Cc2nnc(S)[nH]2)c1 53144530 BELHDBABOUZVBY-UHFFFAOYSA-N 219.313 2.301 0 40 BEAB Fc1cccnc1NCCN1CCCCC1 54700836 WKNMTAFDYJILEJ-UHFFFAOYSA-N 223.295 2.119 0 40 BEAB NNc1nc2cc(Cl)cc(Cl)c2o1 62526726 DBFYPNBJOYPFMS-UHFFFAOYSA-N 218.043 2.420 0 40 BEAB CN(C)[C@@H](CO)c1ccccc1C(F)(F)F 70453361 OKZBZJBHUQDSAB-JTQLQIEISA-N 233.233 2.300 0 40 BEAB OCCCCN(C1CC1)[C@@H]1C=CCCC1 71921802 QVFOWKBXCOTWEY-GFCCVEGCSA-N 209.333 2.332 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccc(C)nc1 72211271 NQDCWGDFHAQVIR-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB COc1cc(Br)cn2cc(C)nc12 77001985 WMUCELFRFQFVTG-UHFFFAOYSA-N 241.088 2.414 0 40 BEAB C[C@H](NC(=O)NCC1CCCC1)C1CC1 78554364 IJJUZCZRFNSNTD-VIFPVBQESA-N 210.321 2.274 0 40 BEAB CC(C)N(C(=O)CN)[C@H](C)c1ccc(F)cc1 79421200 FDHNXNNCEKNWKS-SNVBAGLBSA-N 238.306 2.082 0 40 BEAB Cc1noc(-c2cccnc2NCC2CC2)n1 84286836 POPKYQXIXLMFDO-UHFFFAOYSA-N 230.271 2.262 0 40 BEAB O=Cc1cn2cc(Cl)cc(Cl)c2n1 88278181 WQZDECHCSXPQAB-UHFFFAOYSA-N 215.039 2.454 0 40 BEAB COC(=O)[C@H](F)[C@H](OC)Sc1ccccc1 95611770 MZZNVNOLHYGOBL-GXSJLCMTSA-N 244.287 2.262 0 40 BEAB CCC[C@@](C)(O)c1ccc2c(c1)OCO2 95739021 HAKCAEMYDOCNFI-GFCCVEGCSA-N 208.257 2.423 0 40 BEAB Brc1cnccc1-c1cncnc1 96135166 DSKGCXAFJMSIMP-UHFFFAOYSA-N 236.072 2.301 0 40 BEAB CCCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 96192700 YBWUGKMFAKMPEK-CQSZACIVSA-N 246.310 2.096 0 40 BEAB O=C(OCC[C@@H]1CCCO1)c1ccsc1 96453079 DJVCNSFVRWXGHD-JTQLQIEISA-N 226.297 2.474 0 40 BEAB COC[C@@H](C)NC[C@H](C)c1cccs1 97017011 CMIZNHIETVTVIO-VHSXEESVSA-N 213.346 2.476 0 40 BEAB O=C(O)c1cccc([N+](=O)[O-])c1C(F)(F)F 167520317 QBJMPJHHNMXJCB-UHFFFAOYSA-N 235.117 2.312 0 40 BEAB O=C(O)[C@@H]1C[C@@H](C2CC2)Nc2ccccc21 213142375 USHCLYXJZNMIEP-PWSUYJOCSA-N 217.268 2.449 0 40 BEAB O=C(O)Cc1ccc(F)c(F)c1Cl 214767980 PVABAIILZJYXBE-UHFFFAOYSA-N 206.575 2.245 0 40 BEAB c1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1 225716217 IWLZDWNEKXPOPY-STQMWFEESA-N 202.301 2.017 0 40 BEAB Fc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1 225716616 SILOSBBKHXSDGL-STQMWFEESA-N 220.291 2.156 0 40 BEAB C[C@@H]1O[C@H](CCN)C[C@H]1Cc1ccccc1 252550347 SKEWEKXQTREGSI-IACUBPJLSA-N 219.328 2.372 0 40 BEAB COc1cccc(CNc2cnn(CCF)c2)c1 256050979 HGNOKPOFFSREFY-UHFFFAOYSA-N 249.289 2.473 0 40 BEAB Cc1cc(N(C)C)nc2c(O)cccc12 257812197 AIGUHQPTILCPTA-UHFFFAOYSA-N 202.257 2.315 0 40 BEAB NCc1nn(C2CCCC2)c2c1CCCC2 258453242 LVMGBLFILXPECI-UHFFFAOYSA-N 219.332 2.336 0 40 BEAB CCCC(O)(CCC)CNC1CSC1 379522549 DJBHSHQPLJGCED-UHFFFAOYSA-N 217.378 2.023 0 40 BEAB CCN1C(=O)C(C)(C)c2cc(O)ccc21 642881982 OVPQGXCPRDDXSD-UHFFFAOYSA-N 205.257 2.036 0 40 BEAB Nc1cc2nc(C3CC3)cc(C(F)F)n2n1 1548918931 SCLLBGGKGJFFPD-UHFFFAOYSA-N 224.214 2.127 0 40 BEAB Cc1ccnc(NC(=O)c2ccc(F)c(C)n2)c1 1888868595 LRMDSQORKHPOEK-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB CCNC(=S)Nc1ccc(OC)c(OC)c1 315080 MWPQQDJNZPKZGH-UHFFFAOYSA-N 240.328 2.010 0 40 BEAB Cc1cc(C)n(CCn2nc(C)cc2C)n1 551418 HEHDQDQKBFFNGD-UHFFFAOYSA-N 218.304 2.013 0 40 BEAB CC(C)(C)NC(=O)c1ccc2snnc2c1 813685 VSFAWXWITSRYHT-UHFFFAOYSA-N 235.312 2.220 0 40 BEAB CCOC(=O)C(=O)Nc1c(C)cccc1CC 1624099 OUTRYSQLLHWMPD-UHFFFAOYSA-N 235.283 2.059 0 40 BEAB COc1cc([C@@H](C)O)c[n+](Cc2ccccc2)c1 1630444 FHIJRFZBQNEPKF-GFCCVEGCSA-N 244.314 2.084 0 40 BEAB O=C(c1ccc(Cl)cc1)n1cccn1 2737332 GTJZPRTULNTAOS-UHFFFAOYSA-N 206.632 2.225 0 40 BEAB CCN(CC)C(=O)c1ccccc1NC(C)=O 3195198 AIOKTVQSORBZOG-UHFFFAOYSA-N 234.299 2.127 0 40 BEAB C[C@H](O)CCc1ccc(CC[C@H](C)O)cc1 3844687 PGVYPRLLNJJHIG-RYUDHWBXSA-N 222.328 2.313 0 40 BEAB biogenic CCN(CC)[C@@H](C)c1ccc(C(=O)OC)o1 4311274 YMNZYUAHDZFTPZ-VIFPVBQESA-N 225.288 2.469 0 40 BEAB COc1ccc(Br)c2c1OCCO2 4367649 ZJNULBCPSOSUHJ-UHFFFAOYSA-N 245.072 2.229 0 40 BEAB C[C@@H]1C[C@@H]2C[C@H](C(=O)O)C(C)(C)[C@]2(C(=O)O)C1 5029108 OACUAIIJUUAESB-WBPNIITGSA-N 240.299 2.234 0 40 BEAB Brc1ccc2c(c1)OCOC2 5177576 QUGBTFFUNSJJFL-UHFFFAOYSA-N 215.046 2.316 0 40 BEAB CN(c1ccccc1)c1ncnc2[nH]ncc12 5502627 NFRNOXHMHWKKAX-UHFFFAOYSA-N 225.255 2.121 0 40 BEAB c1ccc2c(c1)CCN2c1ncnc2[nH]cnc12 6309687 YPKGRCBPMQLQDG-UHFFFAOYSA-N 237.266 2.047 0 40 BEAB CCNC(=O)[C@H](C)Nc1ccc(C)cc1C 9379278 QXCXEGYNKFMVKP-NSHDSACASA-N 220.316 2.240 0 40 BEAB CCOC(=O)[C@@H](C(C)C)n1cc(Cl)cn1 12399040 YGWPBKQTAJOAAO-SECBINFHSA-N 230.695 2.297 0 40 BEAB CCS(=O)(=O)N[C@@H](C)c1cc(C)ccc1C 14219271 XOOYEWHJIIELEU-NSHDSACASA-N 241.356 2.304 0 40 BEAB CCCCSc1ncnc2nc[nH]c12 14982348 VSDRAVPZXXXJDG-UHFFFAOYSA-N 208.290 2.245 0 40 BEAB in-vitro O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1 19412894 YUQCMQUNRUSYRK-SNVBAGLBSA-N 224.691 2.031 0 40 BEAB CCCOc1ccc(CC(=O)OC)cc1 20134229 WZYOFVICEBAUSK-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB Cc1cc(NC(=O)c2ccsc2)no1 24491895 FPRVQMWVUJLTPI-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB Cc1cccc2nc(C(=O)N[C@@H](C)C3CC3)cn12 25772194 YQNXGJNPLFOQQX-JTQLQIEISA-N 243.310 2.171 0 40 BEAB Cc1cc(C(=O)Nc2ccc3c(c2)CCO3)no1 27128340 GRGXINHGZLRKPN-UHFFFAOYSA-N 244.250 2.170 0 40 BEAB CCn1nccc1CN(C)C(=O)C1CCCCC1 28219219 RKCLMSAITWNGKG-UHFFFAOYSA-N 249.358 2.442 0 40 BEAB CCN(CC)C(=O)c1ccc2c(c1)OCCCO2 32716571 QNXCOJMQZXPLNH-UHFFFAOYSA-N 249.310 2.330 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@H]2CCCO2)c(C)c1 32748071 WNGVYASWGAAWEL-CQSZACIVSA-N 247.338 2.441 0 40 BEAB C=CC(=O)N1CCSc2ccccc2C1 34526159 NEPKKZADTXKWNR-UHFFFAOYSA-N 219.309 2.307 0 40 BEAB O=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 34785230 CEOKBKQHDGSNSQ-ZIAGYGMSSA-N 229.323 2.488 0 40 BEAB in-vitro CCOc1nc(C(=O)O)cc2ccccc12 36951530 OMCBUGHWLNITDW-UHFFFAOYSA-N 217.224 2.332 0 40 BEAB in-vitro CN(C)C(=O)CN[C@@H]1CCCC[C@@H]1C(C)(C)C 37207480 DDIOPXRIDRCGHI-NWDGAFQWSA-N 240.391 2.269 0 40 BEAB CCC[C@H](NCc1ccccc1)C(=O)OC 37952626 GGANWAJBECTELO-LBPRGKRZSA-N 221.300 2.118 0 40 BEAB CCN(CC(=O)O)Cc1ccc(SC)cc1 38017943 GSGLEPAHWQYWAB-UHFFFAOYSA-N 239.340 2.315 0 40 BEAB COCCNC(=O)Nc1ccc(F)cc1Cl 40525868 UHQFVIMSDFQJIZ-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB Fc1ccc(OCC2OCCO2)c(Cl)c1 41260106 IMTXEHSFIJSFKU-UHFFFAOYSA-N 232.638 2.231 0 40 BEAB Cc1cc(OCC(=N)N)cc(C)c1Cl 57403661 CTFKXAAGUZPEEY-UHFFFAOYSA-N 212.680 2.272 0 40 BEAB Cc1c(O)c(=O)ccn1Cc1ccc(F)cc1 62318168 BTKRIHNGGCMSJQ-UHFFFAOYSA-N 233.242 2.050 0 40 BEAB CN1CC[C@@H](CN)[C@@H]1c1ccc(Cl)c(F)c1 69796123 ROGPDGDVTBVNPY-CABZTGNLSA-N 242.725 2.431 0 40 BEAB in-vitro Cc1cc(C(F)(F)F)nc([C@H]2CCCN2)n1 70947418 XMDGVBMADSZYRQ-SSDOTTSWSA-N 231.221 2.228 0 40 BEAB Cc1cnn(C[C@H](C)NCC(C)(C)C)c1 71186385 BRULBKVBTUTEMJ-NSHDSACASA-N 209.337 2.216 0 40 BEAB COCCSc1nccn1Cc1ccccn1 71903267 YFSAJHDKFPWWKW-UHFFFAOYSA-N 249.339 2.065 0 40 BEAB CCc1csc(-c2cccc(C(N)=O)c2)n1 71921682 JUSWIPFRKFAYGR-UHFFFAOYSA-N 232.308 2.471 0 40 BEAB CC(C)Nc1ccc(C[C@@H]2CCNC2)cn1 72388949 BHPBEWLVXXKBRP-LBPRGKRZSA-N 219.332 2.054 0 40 BEAB CC(C)(O)CNc1ccc(Br)cn1 82828962 CJMYFFAGIKTWHS-UHFFFAOYSA-N 245.120 2.027 0 40 BEAB CC1(C)[C@@H](O)C[C@H]1OCc1ccccc1 85508343 BJKWKWODHKPZTO-NWDGAFQWSA-N 206.285 2.363 0 40 BEAB COC(=O)c1ccc([C@H](C)N(C)CC(F)F)o1 91555966 SWIXSFBQRAWXCC-ZETCQYMHSA-N 247.241 2.324 0 40 BEAB C[C@@H]1OCC[C@H]1Sc1ncc(Cl)cn1 95973770 BFUGTWSLJOARCO-POYBYMJQSA-N 230.720 2.400 0 40 BEAB CC[C@H](NCC(=O)OC)c1ccc(F)cc1F 96491950 STQURMRUTSWTMB-NSHDSACASA-N 243.253 2.179 0 40 BEAB CSc1nsc(NC(=O)C2CC=CC2)n1 98019011 QTGJIZWMGXLOKW-UHFFFAOYSA-N 241.341 2.165 0 40 BEAB Cc1nc(-c2ccccc2C(=O)O)n(O)c1C 100482578 UMOANNVRSUQKQW-UHFFFAOYSA-N 232.239 2.102 0 40 BEAB CC(=O)C12[C@H]3C=C[C@H]4C3C3[C@@H]1C=C[C@@H]3C42C(C)=O 101003282 JTYBIQKNTFIYQK-MPGXDKKDSA-N 240.302 2.015 0 40 BEAB C[C@@H]1C[C@@](C)(NC(=O)OC(C)(C)C)CC1=O 217892292 QMDBRAGBGCRPGM-PRHODGIISA-N 227.304 2.269 0 40 BEAB Cc1nc(C2CC2)ncc1C(=O)NC1CCCC1 222560334 HSBSAPURENXMTA-UHFFFAOYSA-N 245.326 2.335 0 40 BEAB COc1cc(C)c(/C=C\[N+](=O)[O-])cc1OC 223971909 SBPJYSZGAHOWQG-PLNGDYQASA-N 223.228 2.260 0 40 BEAB Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 3827 SRIOCKJKFXAKHK-UHFFFAOYSA-N 249.273 2.317 0 40 BEAB investigational CC(=O)N1N=C2CCCC[C@@H]2[C@H]1C(C)C 238679 PUAQGLLTOYVTSQ-CMPLNLGQSA-N 208.305 2.419 0 40 BEAB OC[C@]12CCCC[C@H]1CC1(CC2)OCCO1 1729855 LMIFASMCQAQHPQ-NWDGAFQWSA-N 226.316 2.082 0 40 BEAB Cc1cnc(C(=O)Nc2ccccc2F)cn1 3270406 GKYXKCYNYGMLAF-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB Cc1ccccc1-n1nnnc1SC(C)C 3292351 ZZZIYVVQLLIVKQ-UHFFFAOYSA-N 234.328 2.471 0 40 BEAB CC(=O)OC[C@H]1CCC[C@H](C)[C@H]1COC(C)=O 4353032 NZYGHSMLNBLDBT-ZWKOPEQDSA-N 242.315 2.165 0 40 BEAB O=[S@](NC1CC1)C12CC3CC(CC(C3)C1)C2 4689883 AHRKAXMVRAVRGC-VUIUJGOLSA-N 239.384 2.371 0 40 BEAB Cc1cc(N)ccc1NC(=O)CN1CCCCC1 4945028 LXSLXBDSHFXKDD-UHFFFAOYSA-N 247.342 2.002 0 40 BEAB CCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 5500991 RNZCEHOFHBEXNB-UHFFFAOYSA-N 231.251 2.450 0 40 BEAB CCOC(=O)[C@@H](O)c1ccc(C(C)C)cc1 5575512 JVNUHPNUJLOTPY-LBPRGKRZSA-N 222.284 2.407 0 40 BEAB CC(C)(C)c1ccc(Nc2cn[nH]c(=O)n2)cc1 12112613 ZLBXYUSCKTYDNW-UHFFFAOYSA-N 244.298 2.206 0 40 BEAB CCN(CC)C(=O)c1ccc2nccnc2c1 12978742 WYEKWADREMXQBW-UHFFFAOYSA-N 229.283 2.112 0 40 BEAB COc1ccc(C(=O)NC2CCCCC2)c(O)c1 12998688 WKPGNSWYBKMRGW-UHFFFAOYSA-N 249.310 2.463 0 40 BEAB Cc1oc2ncn(CC(C)C)c(=N)c2c1C 13655225 PDUCOTDWTSRANM-UHFFFAOYSA-N 219.288 2.382 0 40 BEAB Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)C2 14682692 SJNCSXMTBXDZQA-VIFPVBQESA-N 218.296 2.213 0 40 BEAB endogenous,in-man O[C@]12CCCC[C@H]1CN(Cc1ccccn1)CC2 19401594 RPRHYUWMVLXVKX-ZFWWWQNUSA-N 246.354 2.209 0 40 BEAB COC(=O)CCCC(=O)C1CCCCC1 19894495 PSXKICIOIHIDHS-UHFFFAOYSA-N 212.289 2.479 0 40 BEAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCO1 25558689 LLFLLRVMZDJMSH-SECBINFHSA-N 238.312 2.138 0 40 BEAB O=C(Cc1noc2ccccc12)NCC1CCC1 26139918 XVBDAENWTKEIRP-UHFFFAOYSA-N 244.294 2.287 0 40 BEAB Brc1cnc2c(c1)CCCN2 26460214 OVYOPQIKOHSBSV-UHFFFAOYSA-N 213.078 2.202 0 40 BEAB in-vitro COc1cc(Br)c(C(C)=O)cc1O 27546396 ZLGLYKICXOFLEU-UHFFFAOYSA-N 245.072 2.366 0 40 BEAB CC(C)CCNC(=O)c1cc(-c2ccco2)[nH]n1 28270837 UYHPXNGQJVMVTD-UHFFFAOYSA-N 247.298 2.446 0 40 BEAB CC(=O)CCCCCCCCNC(C)=O 31165438 JRJBWKJICGFLDP-UHFFFAOYSA-N 213.321 2.442 0 40 BEAB biogenic,in-vitro CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 32354422 MLGGIHJMFIHDQQ-UHFFFAOYSA-N 243.310 2.289 0 40 BEAB CCN(CC)C(=O)c1ccc(Cn2cccn2)o1 32610977 QYSHWHLNPXNHRX-UHFFFAOYSA-N 247.298 2.006 0 40 BEAB Cc1occc1C(=O)N1CCC[C@@H](C)C1 32747703 PHAXTDFSYBLZCT-SECBINFHSA-N 207.273 2.460 0 40 BEAB CSCC(=O)Nc1ccc(F)cc1C 32994700 CVJUKTKLXYWQNB-UHFFFAOYSA-N 213.277 2.436 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc(Cl)s1 40459927 VHCVWWRXOVSWHO-ZCFIWIBFSA-N 233.720 2.166 0 40 BEAB COC(=O)CCC(=O)c1ccccc1Cl 43368587 VTSMNQKYZQYHNQ-UHFFFAOYSA-N 226.659 2.476 0 40 BEAB COc1cccc(CCCN)c1OC(F)F 43559447 IQCHNMMGSQVQHH-UHFFFAOYSA-N 231.242 2.188 0 40 BEAB c1ccc2oc(N[C@H]3CCN(C4CC4)C3)nc2c1 44411829 GOEGHMKQUMFJAG-JTQLQIEISA-N 243.310 2.476 0 40 BEAB CCOc1cccc(CNC(=O)C2CC2)c1 48376281 RSWBSEZTOJBEPK-UHFFFAOYSA-N 219.284 2.112 0 40 BEAB Cc1ccc(CNC(=O)c2ccsc2)cn1 48790735 IBZMKTZVPSLRFU-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC(C)(C)NC(=O)NCCc1ccsc1 49343538 KYRXDYGEKONVTQ-UHFFFAOYSA-N 226.345 2.388 0 40 BEAB CN(C)CCCNCc1ccccc1Cl 57362385 YZUMVNVVBSKFSU-UHFFFAOYSA-N 226.751 2.381 0 40 BEAB CN1CCC(c2cc3ccc[nH]c-3n2)CC1 72187650 YBKVHCZPGSMOKQ-UHFFFAOYSA-N 215.300 2.324 0 40 BEAB CCN1CCC[C@@H]1c1cnc(N)c(C)c1 72218431 VMWWWYACWAJDNS-LLVKDONJSA-N 205.305 2.129 0 40 BEAB CCCNCc1cc(-c2ccco2)n(C)n1 72226277 GPTFHVATNPOJLA-UHFFFAOYSA-N 219.288 2.180 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 72406710 XHMBCMXTJYWXHQ-BDAKNGLRSA-N 229.201 2.294 0 40 BEAB OC1CCN(c2nsc3ccccc23)CC1 79440710 WLOKCWSZUDDCPV-UHFFFAOYSA-N 234.324 2.257 0 40 BEAB COC(=O)c1ncn(CCCC2CCCC2)n1 88500221 FFSPLILOKDTPPE-UHFFFAOYSA-N 237.303 2.035 0 40 BEAB Cc1cc(C(=O)N[C@@H]2CCCc3occc32)[nH]n1 89568625 LGHLVJKBQXNNCK-SNVBAGLBSA-N 245.282 2.119 0 40 BEAB Cc1cnc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cn1 89702220 CTHXAURJHWXPAZ-VXGBXAGGSA-N 245.326 2.047 0 40 BEAB CCC(CC)C(=O)NCc1cc(C2CC2)n(C)n1 96099269 AKWVFVOZKJUDCX-UHFFFAOYSA-N 249.358 2.350 0 40 BEAB CCc1cc(C(C)=O)cc(C(C)=O)c1O 96345716 VSVSDWGVINQGKX-UHFFFAOYSA-N 206.241 2.360 0 40 BEAB C[C@@H](c1ccccn1)N(C)CCCn1ccnc1 96490571 GYRHFEZQNCLEGH-ZDUSSCGKSA-N 244.342 2.361 0 40 BEAB CC(=O)O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@H]2C=C[C@H]1C2 100811130 ODYDQOOXSVNMCJ-SWYYREQYSA-N 218.296 2.396 0 40 BEAB CC1=CC=C/C(=C2\N=C(C(C)C)NO2)C1=N 102540835 TYQPVYPJSANJKS-QPJMWLODSA-N 217.272 2.323 0 40 BEAB CC1(C)C=C(NC[C@@H]2CCCO2)CC(=O)C1 105028162 LLXNVKOYNFZVQB-LBPRGKRZSA-N 223.316 2.028 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](N)C12CCCC2 107282221 ZVTWRNPATYORKH-SNVBAGLBSA-N 240.347 2.267 0 40 BEAB NC(=O)Nc1ccc(C(F)(F)F)c(F)c1 169801681 CRRUSBWUHITQKR-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CCc1nn(C)cc1C(=O)OCC=C(C)C 195549713 BSGGIOKSNAPVSQ-UHFFFAOYSA-N 222.288 2.106 0 40 BEAB C[Si](C)(C)c1c(F)ccc(C(=O)O)c1F 196237016 HWVCKUOSSNEHFU-UHFFFAOYSA-N 230.286 2.208 0 40 BEAB CCCC(=O)N1CCC[C@@H](c2nccc(C)n2)C1 205699215 XGUGGLKGJFDJLT-GFCCVEGCSA-N 247.342 2.291 0 40 BEAB CCCOC(=O)c1snnc1-c1cccnc1 223849255 NKVRDRIBAVJWPQ-UHFFFAOYSA-N 249.295 2.167 0 40 BEAB Cc1nn(CC(C)C)cc1NCc1ccnn1C 256053329 RAAAPQWNOLHNTM-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB CN(Cc1ccnn1C)c1nc2ccccc2o1 359893524 ANZCWNXECCMMMC-UHFFFAOYSA-N 242.282 2.198 0 40 BEAB COC(=O)C1(c2c(C)cccc2C)CC(=O)C1 685937475 WRWNRWQFZVDHCY-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB CC(C)(C)N[C@H](O)c1ccc(O)cc1Cl 1775953461 PPFAIABJDDVRSE-SNVBAGLBSA-N 229.707 2.425 0 40 BEAB Cc1nnc(O)c2nn(-c3ccccc3)c(C)c12 1020770 FPMOGLLDLIURMM-UHFFFAOYSA-N 240.266 2.138 0 40 BEAB O=C(NC1CC1)c1ccc(-n2cccc2)cc1 1384320 XQPXMYNJQGMBNI-UHFFFAOYSA-N 226.279 2.370 0 40 BEAB COc1c(C(=O)O)oc2c(OC)cccc12 1619911 LPFARVHTKDMDGU-UHFFFAOYSA-N 222.196 2.148 0 40 BEAB NC(=O)c1ccccc1CC1(O)CCCCC1 1713742 QHZJKJXTJWNSHQ-UHFFFAOYSA-N 233.311 2.023 0 40 BEAB CCCCN1C2=NCCN2c2ccccc21 1763026 UGZIYDPMSHKPPE-UHFFFAOYSA-N 215.300 2.483 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](C)[C@@H]1[C@@H]2C 2094992 XECHVXPHGHIOKX-QNWJLWSRSA-N 210.317 2.232 0 40 BEAB O=C(Nc1cccnc1)c1cc(C2CC2)on1 2497971 ATVLJJSVTJCOAL-UHFFFAOYSA-N 229.239 2.199 0 40 BEAB CCCCCC[C@H](CC(=O)O)C(=O)O 3199210 ZJVMHPVIAUKERS-MRVPVSSYSA-N 202.250 2.132 0 40 BEAB biogenic,in-vitro Cn1c(Cl)cnc1[C@@H](O)c1ccccc1 4399976 SLAACMWJSPJIGH-JTQLQIEISA-N 222.675 2.155 0 40 BEAB Cc1ccc(C(=O)Nc2cc(C)n[nH]2)cc1 6427520 LPIFYXBHXOKCQW-UHFFFAOYSA-N 215.256 2.279 0 40 BEAB O=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)C(F)(F)F 6691893 FVDCYOGKIQCTKH-GJMOJQLCSA-N 221.222 2.101 0 40 BEAB O=C(CSc1ccccn1)NCc1ccco1 7699762 SFMIAKMCCVFNQG-UHFFFAOYSA-N 248.307 2.083 0 40 BEAB O=C(O)c1cc(F)cc2n[nH]c(Cl)c12 14983847 FORREXCPDMPAQY-UHFFFAOYSA-N 214.583 2.054 0 40 BEAB NC(=O)NCCc1c[nH]c2ccc(Cl)cc12 15417998 ULYQLSIPXPOOOX-UHFFFAOYSA-N 237.690 2.032 0 40 BEAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C 19498277 RDUORFDQRFHYBF-MRVPVSSYSA-N 216.284 2.383 0 40 BEAB in-vivo O=C1Nc2ccccc2NC12CCCC2 19772754 WPXIPUXNPWABDI-UHFFFAOYSA-N 202.257 2.363 0 40 BEAB NCc1ccnc(OCc2ccccc2)c1 22171152 AFQIEAJIXXIVCX-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB Cc1[nH]nc(O)c1CCc1ccccc1 31775994 SWKHSLCZHVARFC-UHFFFAOYSA-N 202.257 2.209 0 40 BEAB Cc1nc(-c2cccc(NC(=O)C3CC3)c2)no1 35537938 XZVIELCTLXPYDC-UHFFFAOYSA-N 243.266 2.394 0 40 BEAB CN(C)[C@@H](CNC(=O)C(C)(C)C)c1ccco1 36078752 RSJWSBCWRQNZAV-JTQLQIEISA-N 238.331 2.045 0 40 BEAB Clc1ccc2nnc(C3CCC3)n2n1 36903741 GLOLCOQONUEGTN-UHFFFAOYSA-N 208.652 2.045 0 40 BEAB c1nc(CN2CCO[C@@H]3CCCC[C@@H]32)cs1 48231860 HTWUORNOPDEYPO-NWDGAFQWSA-N 238.356 2.287 0 40 BEAB CCCc1c(C(=O)OC)[nH]c(C)c1C(C)=O 48765276 FHIJQICYAZZYSE-UHFFFAOYSA-N 223.272 2.265 0 40 BEAB O=C(O)CC[C@H]1CCCN(Cc2ccncc2)C1 49842181 YLAWTFJEIHBEFD-GFCCVEGCSA-N 248.326 2.158 0 40 BEAB O=C(CCC1CCNCC1)Nc1ccccc1 50931145 QZICBYGQTVVDOC-UHFFFAOYSA-N 232.327 2.405 0 40 BEAB C[C@H]1C[C@H]1NCc1cc2ccccc2nc1O 52272074 BVQQDSVKWBOVNH-TVQRCGJNSA-N 228.295 2.438 0 40 BEAB CC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C 55276405 UESRQGCIGBGURF-MNOVXSKESA-N 238.331 2.045 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)CCCn2ccnc2)C1 58107441 OOSFNDWFGAIFOS-CHWSQXEVSA-N 249.358 2.358 0 40 BEAB CC1(C)CC2(CC(C)(C)C1=O)OCCO2 59783105 UEMQFNRPNRYGOZ-UHFFFAOYSA-N 212.289 2.145 0 40 BEAB CC(C)CS[C@@H](C)C(=O)NC1CC1 61061382 HLAYJGUQVPBLBL-QMMMGPOBSA-N 201.335 2.043 0 40 BEAB Cc1ccoc1C(=O)/N=c1\[nH]ccn1CC(C)C 64662268 XBAGDJILKQIYBH-UHFFFAOYSA-N 247.298 2.115 0 40 BEAB C[C@H]1CN(C(=O)CC2CCCC2)[C@H](C)CO1 65604344 NEQDQLFXXVXBEL-MNOVXSKESA-N 225.332 2.203 0 40 BEAB COCCN(Cc1cscn1)CC(C)C 69452655 AWYFWRKCMQZGMO-UHFFFAOYSA-N 228.361 2.248 0 40 BEAB CC[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 72208632 XSXPDTDOTYDGDD-VHSXEESVSA-N 229.320 2.157 0 40 BEAB CC[C@H](N)[C@H]1CCCN1C(=O)OC(C)(C)C 72208643 VXVKOWIGVDIUNF-VHSXEESVSA-N 228.336 2.123 0 40 BEAB CCN(CC)c1ncc([C@H](C)O)cc1C 72222223 SLMSKIHORMRXHM-JTQLQIEISA-N 208.305 2.290 0 40 BEAB CNc1ccc([C@H](N)c2ccccc2)c(C)n1 72224108 XZCIULWRVROEDG-CQSZACIVSA-N 227.311 2.480 0 40 BEAB Cc1ccc(-c2ncc(S(C)(=O)=O)o2)cc1 72238750 FVLIJIDCXCEHLZ-UHFFFAOYSA-N 237.280 2.054 0 40 BEAB C[C@@H]1CCCN(C(=O)c2ncncc2Cl)C1 75104638 OPNCIDXDUBSPSQ-MRVPVSSYSA-N 239.706 2.002 0 40 BEAB CC[C@@H](Oc1ccccc1F)C(=O)NC1CC1 78700672 YHAUWCKPSGTPSB-LLVKDONJSA-N 237.274 2.262 0 40 BEAB C[C@H](c1ccc(F)cc1)N(CCO)C1CC1 79421193 VLJHWQVPIWVCTR-SNVBAGLBSA-N 223.291 2.343 0 40 BEAB COc1cc(OC)cc(C2(C(=O)O)CCC2)c1 83111726 ZVPKIKLWTMTSTA-UHFFFAOYSA-N 236.267 2.210 0 40 BEAB O=C(c1ccc2c(c1)OCO2)c1ccccn1 84500261 ZBXUKTSLIBYWEA-UHFFFAOYSA-N 227.219 2.041 0 40 BEAB c1ccc2c(c1)C[C@@H](CN1CCCC1)N2 87655841 UHAZNZBTNMEFAT-LBPRGKRZSA-N 202.301 2.119 0 40 BEAB O=C(c1ccco1)N1C[C@@H]2CC=CC[C@H]2C1 89794339 WUAIMILCHGLLGK-QWRGUYRKSA-N 217.268 2.318 0 40 BEAB COC(=O)c1ccc2cnc(C3CC3)n2c1C 95347632 SAUUHUXVMBLQCF-UHFFFAOYSA-N 230.267 2.307 0 40 BEAB in-vitro Cc1cnc(COC(=O)CC(C)(C)C)o1 95405198 XTPLGUSEGRFUFK-UHFFFAOYSA-N 211.261 2.462 0 40 BEAB CC(C)(C)OC(=O)N1CCCn2nccc21 95830976 CJBVCGLNDXQEAM-UHFFFAOYSA-N 223.276 2.028 0 40 BEAB CN(C)c1ccccc1N(C)Cc1ncc[nH]1 95977672 RYNWMHBVAVDJHL-UHFFFAOYSA-N 230.315 2.112 0 40 BEAB COc1ccccc1C[C@@H](C)Nc1ccnn1C 97037937 PLROFRANBQNGOG-LLVKDONJSA-N 245.326 2.472 0 40 BEAB Cc1ncccc1CN(C)CCc1ccccn1 97113729 YMMPTDHHIIULOP-UHFFFAOYSA-N 241.338 2.460 0 40 BEAB CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 100008865 XQJMXPAEFMWDOZ-WDNDVIMCSA-N 245.322 2.469 0 40 BEAB in-vitro C[C@H]1[C@H](C)CCC[C@H]1NC(=S)NC1CC1 104272544 FKBYCYJTJOSXCB-WCABBAIRSA-N 226.389 2.438 0 40 BEAB Cc1cccc(OCCO[C@@H]2CCCCO2)n1 194720549 PCYFGDKXLAXBFJ-CYBMUJFWSA-N 237.299 2.312 0 40 BEAB COC(=O)c1c(Cl)ccc(OC)c1F 199824570 RIHPUPVXXBOBMN-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB in-vitro Cc1c(F)cccc1N1CCN[C@H]2CCC[C@H]21 218847411 QINLAUWQAQYXRC-GXTWGEPZSA-N 234.318 2.465 0 40 BEAB COc1cccc(N[C@@H]2CCCC[C@H]2N)c1 218858297 INOKVFDNRAAAPG-CHWSQXEVSA-N 220.316 2.377 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@H]2OC[C@@H](C)[C@@H]21 225760443 XUJUJWPNVYKNBP-GWOFURMSSA-N 212.289 2.001 0 40 BEAB C[C@H](NC[C@@H]1CCCO1)c1ccccc1N 225817072 HSDABBKNINJUIG-QWRGUYRKSA-N 220.316 2.098 0 40 BEAB COC(=O)c1ccccc1C(=O)C(F)(F)Cl 309197582 ATXFDHICOMSYJZ-UHFFFAOYSA-N 248.612 2.488 0 40 BEAB Cc1cc(C(=O)N2CCCC2)cc(NC2CC2)n1 1540357478 SSQXYXQBSKEXGB-UHFFFAOYSA-N 245.326 2.200 0 40 BEAB O=C(c1ccccc1Cl)n1cccn1 37165 TXMCQTASHMXJQF-UHFFFAOYSA-N 206.632 2.225 0 40 BEAB CCC(=O)Nc1ccc2oc(=O)ccc2c1 557474 DYDFDCJZQBBXNH-UHFFFAOYSA-N 217.224 2.142 0 40 BEAB CCOC(=O)[C@H](c1ccccc1)n1cccn1 1384559 GCASTZGICBYQGT-LBPRGKRZSA-N 230.267 2.036 0 40 BEAB Cc1cnc(NC(=O)c2ccc(F)cc2)o1 1516894 JIDKVELSBXOGNU-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB CC(=O)c1cc[n+](Cc2ccccc2)cc1 6614894 WFUVIEFBHZGVIE-UHFFFAOYSA-N 212.272 2.225 0 40 BEAB Cc1cc(C)c(C)c(OCCC(=O)O)c1 11799650 IYKHBSNWWZFYFY-UHFFFAOYSA-N 208.257 2.465 0 40 BEAB in-vitro C[C@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1C 13024117 SCCZZHWSMQEVST-IUCAKERBSA-N 235.331 2.312 0 40 BEAB Cc1cccc(NC(=O)c2ccncc2)n1 13208096 VDNAZLBEUMUEPA-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CC[C@H](C)N(C(=O)c1ccnn1C)[C@H](C)CC 16972119 YLOKKMBWEWNVMM-PHIMTYICSA-N 237.347 2.459 0 40 BEAB CCN(CC)CCNCc1ccc(OC)cc1 19919134 KYQIKEMNTQNCTB-UHFFFAOYSA-N 236.359 2.127 0 40 BEAB Cc1nn(C)c(C)c1CNc1cccc(O)c1 20194127 FZZKGPFKDPGSGZ-UHFFFAOYSA-N 231.299 2.355 0 40 BEAB NCc1ccc(NC(=O)c2ccccc2)cc1 20224321 LNIJTMGXVKXZQY-UHFFFAOYSA-N 226.279 2.398 0 40 BEAB CN(C)[C@@H](CN)c1cccc(C(F)(F)F)c1 21948259 WSFINPCMQGMMKB-JTQLQIEISA-N 232.249 2.267 0 40 BEAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC 22533540 QVIFQIUEDGCHFS-LBPRGKRZSA-N 221.300 2.207 0 40 BEAB C[C@@H]1c2cccn2CCN1C(=O)c1ccco1 30267182 BJKBMNFRGFKSDB-SNVBAGLBSA-N 230.267 2.298 0 40 BEAB CCC(C)(C)NC(=O)/C=C/c1ccncc1 32335823 MVCSKPCFJUFDDB-AATRIKPKSA-N 218.300 2.400 0 40 BEAB CC(C)Oc1ccc([C@H](CN)N(C)C)cc1 32497102 YQIGXGUELXVADN-ZDUSSCGKSA-N 222.332 2.035 0 40 BEAB in-vitro C[C@H]1CCC[C@H](N(C)C2CCNCC2)[C@@H]1C 32917459 RQQVPELTBHOUKM-SCRDCRAPSA-N 224.392 2.495 0 40 BEAB OCc1cc(Cl)ccc1OC[C@@H]1CCCO1 36895114 NPCUCUOERFRAIH-NSHDSACASA-N 242.702 2.390 0 40 BEAB C[C@@H]1CCCCN1CCNC1CCCC1 37482370 NXFBXHRKACHCMC-GFCCVEGCSA-N 210.365 2.393 0 40 BEAB COc1cc2c(cc1OC)C(C)(C)CNC2 39193675 LZKVGJJZJQGYSV-UHFFFAOYSA-N 221.300 2.085 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)on1 39981954 OXHVFSIBEPDKFY-VIFPVBQESA-N 234.255 2.375 0 40 BEAB CNCCc1ccc(Br)cc1F 40447862 OIIJNPOYTODHBY-UHFFFAOYSA-N 232.096 2.350 0 40 BEAB CCc1cc(C(=O)N[C@@H](C)COC)sc1C 40459907 ZJHZWFWZBJGRME-QMMMGPOBSA-N 241.356 2.384 0 40 BEAB COc1cc(C[C@@H]2CCCNC2)cc(OC)c1 42784236 SZUZYVZKOXQCCR-NSHDSACASA-N 235.327 2.246 0 40 BEAB CC(C)c1ccc(Br)nn1 44118082 JUILXVOYPCXJHW-UHFFFAOYSA-N 201.067 2.363 0 40 BEAB in-vitro OCCc1c(F)cccc1C(F)(F)F 44379857 JJSXYZZJEBJEPI-UHFFFAOYSA-N 208.154 2.379 0 40 BEAB Cc1ncsc1C(=O)N[C@@H](C)c1cccnc1 46741418 NBXSTPHINPEGQG-QMMMGPOBSA-N 247.323 2.338 0 40 BEAB CC[C@@H](C)NC(=O)N[C@H](C)c1ccccn1 47576750 VNVNGBCISLEPMA-NXEZZACHSA-N 221.304 2.240 0 40 BEAB CCSc1ccc(Cc2nnc(N)o2)cc1 56900935 GTBHJYWPUAJADP-UHFFFAOYSA-N 235.312 2.355 0 40 BEAB in-vitro CCCNc1nc(C2CC2)nc2c(C)nn(C)c12 57355998 CVLYGBNXCPTGRZ-UHFFFAOYSA-N 245.330 2.371 0 40 BEAB CC[C@H](C)NC(=S)Nc1cccnc1 57750215 JVJCXCSZTJQVCI-QMMMGPOBSA-N 209.318 2.167 0 40 BEAB C[C@@H](c1cccc(Cl)c1)N(C)CCO 62016046 AKQGXOAWWQTUCZ-VIFPVBQESA-N 213.708 2.325 0 40 BEAB CC[C@H](c1ccc(C(=O)O)o1)n1cccn1 62702086 JOSCVRKLDKBZOU-MRVPVSSYSA-N 220.228 2.174 0 40 BEAB O[C@@H]1CCCc2[nH]nc(-c3ccccc3)c21 66055382 RMWMVRMNFLAFKH-LLVKDONJSA-N 214.268 2.446 0 40 BEAB CCOC(=O)c1ccc2[nH]c(C(=O)O)cc2c1 66346776 KXIJQVTXEFFFIE-UHFFFAOYSA-N 233.223 2.043 0 40 BEAB CCCOC(=O)c1ccc(N2CCCC2)c(N)c1 70461621 RKJFCCPJHBHULL-UHFFFAOYSA-N 248.326 2.436 0 40 BEAB CCO[C@@H]1C[C@H](NC(=O)C2CCC2)C1(C)C 71915418 FMXVPPBHMPIQLY-WDEREUQCSA-N 225.332 2.106 0 40 BEAB COc1ccc([C@H]2CCCCN2C=O)c(C)n1 72218109 VVXFRUYSVNJROM-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB COC[C@@H](C)NC(=O)c1ccc(C)cc1C 78631630 SYUAYWUREDPRMM-LLVKDONJSA-N 221.300 2.068 0 40 BEAB COC[C@@H](C)OC(=O)c1ccc(C)c(F)c1 79102147 BDQIPECRZDITBC-SECBINFHSA-N 226.247 2.326 0 40 BEAB S=C(NCc1ccc2c(c1)CCC2)NC1CC1 84459188 FFNPMJAIIYGTBL-UHFFFAOYSA-N 246.379 2.302 0 40 BEAB OC[C@H]1CCN(CCCC2CCCC2)C1 95422685 DIPPSQHYVVMCQV-ZDUSSCGKSA-N 211.349 2.271 0 40 BEAB COC(=O)[C@H](F)[C@@H](OC)Sc1ccccc1 95611771 MZZNVNOLHYGOBL-ONGXEEELSA-N 244.287 2.262 0 40 BEAB COc1ccc(C(=O)Nc2ccncc2F)cc1 95975717 YAMMZHQMNCLTAM-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CC(C)=CCN(C)CCCn1ccnc1C 95981748 ITNLFPCXTILQHL-UHFFFAOYSA-N 221.348 2.480 0 40 BEAB CCCCCCN1CCN(C2CC2)CC1 96419560 ILUVGHGNADDBQC-UHFFFAOYSA-N 210.365 2.347 0 40 BEAB c1cc([C@@H]2CCCCN2)n(C2CCOCC2)n1 96509765 LZNYQUBLQSZDNI-LBPRGKRZSA-N 235.331 2.049 0 40 BEAB CN(CCc1ccccn1)Cc1cncs1 97113726 UNNKXKLAABQPTL-UHFFFAOYSA-N 233.340 2.213 0 40 BEAB COC(=O)CC[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)C2 108359579 UNJPZBCQPIYUEJ-XDTLVQLUSA-N 224.300 2.335 0 40 BEAB CCC[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 217847542 KFYLHJUNGYIXAL-VHSXEESVSA-N 229.320 2.157 0 40 BEAB COc1ncc(NC(=O)C(C)(C)C)cc1C 225879829 DBUDROHJBOCDRH-UHFFFAOYSA-N 222.288 2.383 0 40 BEAB Cc1cnn(C)c1NCc1ccc(F)cc1 256049641 ASXLWZDGEDOTHX-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CC(C)(C)OC(=O)N1CC=C(CCC(=O)O)C1 257324371 WOKYNLVTFSPMLF-UHFFFAOYSA-N 241.287 2.028 0 40 BEAB C[C@H](O)c1ccc(N)cc1C(F)(F)F 585672989 WXLFUUCWFLFTQZ-YFKPBYRVSA-N 205.179 2.341 0 40 BEAB CN(C)C(C)(C)CNC(=O)c1ccc(Cl)o1 40488807 NGQZIHMKRQQQEY-UHFFFAOYSA-N 244.722 2.003 0 40 BEAB CC(C)C[C@@H]1NC(=O)N(c2ccccc2)C1=O 36420 YEMHYRVDNYBATH-NSHDSACASA-N 232.283 2.158 0 40 BEAB OC[C@]12CC=CC[C@H]1[C@@H]1CC=CC[C@H]1O2 1719271 ABOOKWDZMHACDA-WUHRBBMRSA-N 206.285 2.049 0 40 BEAB CCO[C@H](C)C(=O)N[C@@H](C)c1cccs1 40523424 PYCPAPAWSJBDMI-DTWKUNHWSA-N 227.329 2.350 0 40 BEAB CCC[C@@H](O)[C@]1(C)CC[C@H](C(=O)O)C(C)(C)O1 3845868 XRVXEMNLTYHFFR-BREBYQMCSA-N 244.331 2.196 0 40 BEAB CC(C)(C)Oc1ccc(C(N)=S)cc1 20515308 VAEZVEPJNVRCFQ-UHFFFAOYSA-N 209.314 2.498 0 40 BEAB in-vitro O=C(Nc1ccccc1)N[C@H]1CCCC[C@@H]1O 52003258 AUDCZNMODKREEO-RYUDHWBXSA-N 234.299 2.112 0 40 BEAB CC(C)(C)c1ccc2c(c1)C(=O)C(=O)N2 22168904 FQRSABMKACVJDD-UHFFFAOYSA-N 203.241 2.119 0 40 BEAB in-vitro CC(C)[C@@H](N)CCN1CCc2ccccc2C1 58058356 HLZSQODFLMPYFM-HNNXBMFYSA-N 232.371 2.418 0 40 BEAB COC(=O)Cn1cc(C(C)=O)c2ccccc21 807198 NULAOSQHJNKNQA-UHFFFAOYSA-N 231.251 2.017 0 40 BEAB COc1cc(-c2cc(N)on2)ccc1C 20078656 CMSNPSQDKDZWKI-UHFFFAOYSA-N 204.229 2.241 0 40 BEAB COc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1 1387470 WEWIIGRQOVQDCT-ZZXKWVIFSA-N 244.294 2.317 0 40 BEAB CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@@H]12 101130537 WMCIENSNBKBGKV-FIXIBIHLSA-N 247.338 2.230 0 40 BEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C1CC1 1636833 RTSIQJJFQYKWGG-SECBINFHSA-N 244.294 2.160 0 40 BEAB Nc1ncc2c(C(F)(F)F)cccc2n1 38952167 HTNKVZXYIUDZEK-UHFFFAOYSA-N 213.162 2.231 0 40 BEAB Cc1cc(C(=O)NC(C)(C)c2ccccc2)[nH]n1 49314840 LCFUYGSWMOGLFA-UHFFFAOYSA-N 243.310 2.383 0 40 BEAB CC(C)(C)C1=NO[C@@](O)(C(F)(F)F)C1 4141878 VOMBRBSMTPDXFK-SSDOTTSWSA-N 211.183 2.060 0 40 BEAB CCC(=O)NCCc1c[nH]c(-c2ccccc2)n1 13607990 QKPNRIOYAOSWBO-UHFFFAOYSA-N 243.310 2.145 0 40 BEAB O=C(Nc1cccc(F)c1)Nc1cnccn1 13745191 HKVGQXNULYMLRB-UHFFFAOYSA-N 232.218 2.260 0 40 BEAB C[C@H](O)[C@H](O)c1cccc(C(F)(F)F)c1 5735367 ISBSOFZWSJBJSW-RCOVLWMOSA-N 220.190 2.120 0 40 BEAB Cc1ccc2c(c1)CCCN2CC(=O)NC1CC1 15298799 CCYBCCOXKGEQQE-UHFFFAOYSA-N 244.338 2.026 0 40 BEAB Cc1cc(C)cc(COC(=O)c2cnccn2)c1 8756004 DIMBWWZPUFZIFM-UHFFFAOYSA-N 242.278 2.450 0 40 BEAB Cc1c(C=O)c(C)n(C[C@@H]2CCCO2)c1C 22122450 RTCIMGGSQZVQNQ-LBPRGKRZSA-N 221.300 2.405 0 40 BEAB Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C 57367 XOZLRRYPUKAKMU-UHFFFAOYSA-N 245.326 2.305 0 40 BEAB biogenic,world COC(=O)CC[C@]1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 72207275 UNJPZBCQPIYUEJ-WQAKAFBOSA-N 224.300 2.335 0 40 BEAB O=C(O)c1ccc(Cc2ccccc2)[nH]1 72324044 ZBSCFAWMXYYNNB-UHFFFAOYSA-N 201.225 2.304 0 40 BEAB O=C(NCCc1ccccc1)NCC(F)(F)F 59942317 VHPUJLBKUZHMQR-UHFFFAOYSA-N 246.232 2.091 0 40 BEAB CC(=O)c1ccc([C@H]2CCNC(=O)C2)c(F)c1 199776199 DOBQNDFTPPYWTG-JTQLQIEISA-N 235.258 2.022 0 40 BEAB C[C@@H](N)COCc1cccc(OC(F)F)c1 89262730 AOHRQOMMFIHKBN-MRVPVSSYSA-N 231.242 2.152 0 40 BEAB CCn1c(C)ccc1CNC[C@H]1CCCO1 226019149 AALKKSJWLGARNS-CYBMUJFWSA-N 222.332 2.085 0 40 BEAB CC(=O)Nc1ccc(OCC2CCNCC2)cc1 42782849 SEORLBWJWVMVEX-UHFFFAOYSA-N 248.326 2.023 0 40 BEAB N[C@H](C(=O)O)c1cc(-c2ccccc2)cs1 199810462 YXEPRDHDKVBHSX-NSHDSACASA-N 233.292 2.500 0 40 BEAB CC(C)(C)CC(=O)NC[C@]1(C)CCCC[C@@H]1O 96450825 MNWSFYMSUJVIJD-FZMZJTMJSA-N 241.375 2.480 0 40 BEAB CC1(COc2ccc(C(=O)O)cn2)CCC1 95093867 JGBGHLSFCYZWQX-UHFFFAOYSA-N 221.256 2.349 0 40 BEAB COCc1ccc(C(=O)OC(C)(C)C)nc1 95705291 CAIVMELBHYWQAI-UHFFFAOYSA-N 223.272 2.183 0 40 BEAB Cc1ccc(NC(=O)CNC(C)(C)C)cc1 20056774 BVICRKRWZGMDEC-UHFFFAOYSA-N 220.316 2.322 0 40 BEAB CC[C@@H](C)n1ncc(Br)c1CO 685936451 YBHSBOQLPBFYTL-ZCFIWIBFSA-N 233.109 2.109 0 40 BEAB COC(=O)c1ccc2cccc(CN)c2c1 34353496 LRFDYFNVLLNJDI-UHFFFAOYSA-N 215.252 2.085 0 40 BEAB Nc1cc2cn[nH]c2cc1OC(F)(F)F 225159433 RJOYEULCKDJLAW-UHFFFAOYSA-N 217.150 2.044 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCO)C1 149646913 MCKPDOKMSMTHGK-UWVGGRQHSA-N 229.320 2.062 0 40 BEAB NN[C@@H](c1ccc(Cl)cc1)C(F)(F)F 161784569 AGFONTFVVCGKOR-ZETCQYMHSA-N 224.613 2.407 0 40 BEAB COc1ccc(/C=C2\N=C(C)OC2=O)c(OC)c1 5296565 YMXHZKCZYAJCTI-WDZFZDKYSA-N 247.250 2.020 0 40 BEAB CCSCC[C@@H](C)NC1CSC1 388450660 YJBBOWYTORZZPH-MRVPVSSYSA-N 205.392 2.223 0 40 BEAB O=C(Nc1ncccn1)c1ccc(Cl)cc1 51175 FHSYWAOAPXQHHE-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1OCc1ccccc1 1681275 FCQGKIBPYZALNB-VXGBXAGGSA-N 220.268 2.155 0 40 BEAB COC(=O)[C@@H]1O[C@@]1(C)c1ccc(Cl)cc1 1696005 WOLWRWLLWNBPRS-ONGXEEELSA-N 226.659 2.127 0 40 BEAB c1cc2c(cc1[C@@H]1CCCN1)OCCCO2 3378468 SNPSPEIXROBWHN-NSHDSACASA-N 219.284 2.272 0 40 BEAB Cc1ccc(Br)c(O)c1C(=O)O 3848138 ALHFXRQGKQLVTR-UHFFFAOYSA-N 231.045 2.161 0 40 BEAB biogenic CC/[S@@](C)=N\S(=O)(=O)c1ccc(C)cc1 4128509 USNXUFABGLAYRU-AWEZNQCLSA-N 245.369 2.135 0 40 BEAB COC(=O)[C@H]1CC(=O)CC[C@H]1c1ccccc1 5824246 AXOQDYGCCCXXHG-STQMWFEESA-N 232.279 2.312 0 40 BEAB S=C1S[C@H]2CCC[C@H]2N1C[C@@H]1CCCO1 6185688 WPFBZHYIGYZWGW-AEJSXWLSSA-N 243.397 2.420 0 40 BEAB CCC[C@H](N)P(=O)(OCC)OCC 6381309 KVHJLSZFDBFTDS-MRVPVSSYSA-N 209.226 2.337 0 40 BEAB CCC(=O)Nc1sc(C)c(C)c1C(=O)O 8731406 TXKZCAJPMSUFTL-UHFFFAOYSA-N 227.285 2.412 0 40 BEAB O=C(Nc1ccc(C(=O)O)nc1)c1ccccc1 13451043 AUERTVOXUKIHOV-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB COc1cccc(OC)c1OCc1ccon1 15083642 QNRYLMKQVAIMBX-UHFFFAOYSA-N 235.239 2.271 0 40 BEAB CCCCCC[C@@H](C)OCCOCCO 16637874 NBXQQGNTYSWRHL-GFCCVEGCSA-N 218.337 2.371 0 40 BEAB CC(C)CO[C@@H](C(=O)O)c1ccccc1 19435403 SMIQLHGQFUBFOC-LLVKDONJSA-N 208.257 2.485 0 40 BEAB Nc1ccc2nnc(-c3ccc(F)cc3)n2c1 19753839 XRPOEIOBLVKRFT-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB CSCCC(=O)Nc1ncc(C)s1 25404800 QPHAKIBBVOGHAW-UHFFFAOYSA-N 216.331 2.143 0 40 BEAB CC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1 25600655 OIGPIPOPHULPAW-SNVBAGLBSA-N 248.326 2.216 0 40 BEAB c1ccc2nc(NC[C@H]3CCCO3)cnc2c1 26134675 DOJZWRZMQRRICS-SNVBAGLBSA-N 229.283 2.221 0 40 BEAB C[C@@H]1Cc2cc(-c3cc(CO)no3)ccc2O1 26421017 SLWVFRMGBCNCRO-MRVPVSSYSA-N 231.251 2.157 0 40 BEAB CCN(CC)C(=O)c1ccc(Cl)o1 32726929 OCWJRPZKSYADOE-UHFFFAOYSA-N 201.653 2.415 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)c1ccccn1 32817679 IIAYHDLICGBBGB-SNVBAGLBSA-N 230.267 2.036 0 40 BEAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CC=CCC1 32845121 IWEHXKKMCRZEBO-UONOGXRCSA-N 245.322 2.193 0 40 BEAB C[C@H]1C[C@@H](C)CN([C@@H](C(N)=O)c2ccccc2)C1 32865941 FJKQDJPBSGECLK-MBNYWOFBSA-N 246.354 2.191 0 40 BEAB COC(=O)c1cncc(Cl)c1Cl 34502533 IXNSFNQEQDHBAH-UHFFFAOYSA-N 206.028 2.175 0 40 BEAB COc1ccc(CNCc2c(C)n[nH]c2C)cc1 36864535 DGYXXEITYAAEFP-UHFFFAOYSA-N 245.326 2.325 0 40 BEAB O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCO1 40488658 ZMAAXGCCLARCDR-ZDUSSCGKSA-N 242.278 2.352 0 40 BEAB CC[C@@H](C)C(=O)NCCc1ccsc1 40509491 OAFYNBJAMVEYGJ-SECBINFHSA-N 211.330 2.453 0 40 BEAB COc1cc(Cl)cc(/C=C(\C)CO)c1O 40545461 ARLZXGXCOFENHZ-XVNBXDOJSA-N 228.675 2.450 0 40 BEAB Cc1cc(N(C)Cc2c(C)noc2C)nc(C)n1 42098590 WRAHLXVLFXLXFF-UHFFFAOYSA-N 246.314 2.335 0 40 BEAB Fc1cccc(F)c1CO[C@H]1CCCNC1 42782981 SPHKMVKBKSVCNI-VIFPVBQESA-N 227.254 2.233 0 40 BEAB C=C=CN1C(=O)OC[C@@H]1c1ccccc1 44563733 FPCDELJNAKUUJG-LLVKDONJSA-N 201.225 2.479 0 40 BEAB CN(C)C(=O)Cc1cccc2ccccc12 47651486 RGUGDGNNXCUOGH-UHFFFAOYSA-N 213.280 2.471 0 40 BEAB c1ccc2nc(NC[C@@H]3CCCOC3)cnc2c1 48400224 IQCLPNYZNTUKBK-NSHDSACASA-N 243.310 2.468 0 40 BEAB O=C(C1CCCCC1)N1CCSCC1 49209025 HJNKHVNRTNHTOD-UHFFFAOYSA-N 213.346 2.142 0 40 BEAB CCOc1ccc(NC(=O)[C@@H]2CCOC2)cc1 49353843 PTQQFBDQUWYONV-SNVBAGLBSA-N 235.283 2.060 0 40 BEAB COc1ccccc1Nc1cc(C)nc(N)n1 49468264 QFGZVOFCSMGPTP-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB C[C@@H](N)c1nc(C2=Cc3ccccc3OC2)no1 62716584 TUFLYNWIDXPFBN-MRVPVSSYSA-N 243.266 2.022 0 40 BEAB c1ccc2c(c1)ncn2Cc1noc(C2CC2)n1 67096004 FASHBGATRLLNLE-UHFFFAOYSA-N 240.266 2.345 0 40 BEAB CCN1CCC[C@H]1c1cccnc1N(C)C 72212648 PKMRIPPCDMBKPJ-LBPRGKRZSA-N 219.332 2.304 0 40 BEAB CNCc1ccc(NCc2ccccc2)nc1 72225358 DXILLVFBNRNQCA-UHFFFAOYSA-N 227.311 2.413 0 40 BEAB Cc1nccn1C[C@H]1CCCN(C(C)C)C1 72356938 NTJDMPPNAHKLDL-ZDUSSCGKSA-N 221.348 2.312 0 40 BEAB O=c1[nH]c(-c2ccon2)nc2ccc(Cl)cc12 74797507 FWSXRMQGWBJZEG-UHFFFAOYSA-N 247.641 2.232 0 40 BEAB CN(CCc1ccccn1)C(=O)OC(C)(C)C 78573605 DUDJFTXVIVTSFF-UHFFFAOYSA-N 236.315 2.491 0 40 BEAB c1cc(NCc2ccc3c(c2)OCCO3)no1 83358505 ZNJKFBLHBPQZNN-UHFFFAOYSA-N 232.239 2.058 0 40 BEAB CCOC(=O)[C@H](C)NC(=O)C[C@H](C)C(C)(C)C 84791184 XNAKQQFUKBGYFY-UWVGGRQHSA-N 243.347 2.127 0 40 BEAB C[C@@H]1CN(Cc2cccc(O)c2)C[C@@H](C)O1 84827842 PHPCNJRMDITAOG-GHMZBOCLSA-N 221.300 2.001 0 40 BEAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1O 85508330 BJKWKWODHKPZTO-NEPJUHHUSA-N 206.285 2.363 0 40 BEAB CNC(=O)c1ccc(COc2ccccn2)cc1 95394230 WOBHSEWZMABZPR-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CC(C)CCC(=O)N1CCCC12CCNCC2 96049290 MPGVVPTTXLFIDU-UHFFFAOYSA-N 238.375 2.167 0 40 BEAB COC1CCN(c2ccc(NC(C)=O)cc2)CC1 96122383 PZXKCYJHYLEMQK-UHFFFAOYSA-N 248.326 2.260 0 40 BEAB CCCOc1csc(C(=O)OC)c1 96511048 KLNCDBYHFPTPOA-UHFFFAOYSA-N 200.259 2.324 0 40 BEAB Cc1cc(C)c(C=O)c(OCc2ccn(C)n2)c1 96526264 HPYCMHAVDPRKDF-UHFFFAOYSA-N 244.294 2.428 0 40 BEAB CC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1C 97366790 IGEZPTNTLXZRIP-UHFFFAOYSA-N 248.326 2.434 0 40 BEAB CCCn1cc(N[C@@H](C)c2nnc(C)o2)cn1 97377304 REUNMFASQDHZHD-QMMMGPOBSA-N 235.291 2.158 0 40 BEAB CCCn1cc(N[C@H](C)c2nnc(C)o2)cn1 97377305 REUNMFASQDHZHD-MRVPVSSYSA-N 235.291 2.158 0 40 BEAB Nc1cccc(-c2nc3ccccc3[nH]2)n1 98175426 BNYXRJOJYMBPQQ-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N1Cc1ccccc1 104149249 MNPJKVXUZODWKO-XUXIUFHCSA-N 227.307 2.444 0 40 BEAB Cc1ccc(NC(=O)c2cnco2)cc1 169952893 OMJUOZXANNJCRZ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB C[C@@H](N[C@H]1CCC[C@@H]1N)c1ccccc1 218886611 VJNYIIHZUKMQSU-WXHSDQCUSA-N 204.317 2.217 0 40 BEAB CCOC(=O)C[C@H](NC(C)(C)C)C(F)(F)F 256052374 NBEHVGCURVAOBF-ZETCQYMHSA-N 241.253 2.259 0 40 BEAB CSc1c2c(cc3c1OCO3)CCN(C)C2 261829801 RFTQCTFWYGRFKK-UHFFFAOYSA-N 237.324 2.125 0 40 BEAB O=c1[nH]nnc2sc(-c3ccccc3)cc12 1321071 VJTOBCBNHOCIEN-UHFFFAOYSA-N 229.264 2.047 0 40 BEAB COc1cc(OC)cc(N2CC(C)(C)C2=O)c1 1403391 HTNRVTHZLJUHAW-UHFFFAOYSA-N 235.283 2.077 0 40 BEAB COC1=CC(=O)O[C@](C)(c2ccccc2)C1 1608661 AQXPHIBTEWIJBS-ZDUSSCGKSA-N 218.252 2.379 0 40 BEAB O=C(O)c1ccccc1[C@@H](O)c1ccccc1 3321973 QILGRFFFTBOYJX-ZDUSSCGKSA-N 228.247 2.467 0 40 BEAB in-vitro C[C@H]1CC=NN1C(=S)Nc1ccccc1 4676481 HJLVLYBSZJORNY-VIFPVBQESA-N 219.313 2.463 0 40 BEAB CC[C@@H](Oc1ccccc1)C(=O)NC1CC1 6119761 NJOQKRGTPXYOOU-GFCCVEGCSA-N 219.284 2.123 0 40 BEAB CNC(=S)NC1CCCCCCC1 6333232 NBHWEYAWXOJHGP-UHFFFAOYSA-N 200.351 2.193 0 40 BEAB C[C@H](Cc1ccccc1)CC(C(=O)O)C(=O)O 6443135 YSGQEYOCSNLLIB-SECBINFHSA-N 236.267 2.041 0 40 BEAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)C 12913980 SRXIPKPJWCBWKX-JTQLQIEISA-N 233.311 2.031 0 40 BEAB NC[C@@H](c1ccccc1Cl)[C@H]1CCCN1 15020674 CLQOCVWWNBVYJO-CMPLNLGQSA-N 224.735 2.134 0 40 BEAB Cc1ccc(F)c(NC(=O)c2cnccn2)c1 15317131 UZZSRKGQFTXLSH-UHFFFAOYSA-N 231.230 2.176 0 40 BEAB Cn1cc(C(=O)NCc2ccc(Cl)cc2)cn1 17324125 LBSYJSKGYMMGBC-UHFFFAOYSA-N 249.701 2.004 0 40 BEAB O=C1c2ccccc2CC[C@@H]1[C@@H]1CCCN1 19375174 HDNRBVRWENYZLC-OLZOCXBDSA-N 215.296 2.184 0 40 BEAB CCCCOc1ccc(-c2nonc2N)cc1 19772651 LONWKQHSXJCVGU-UHFFFAOYSA-N 233.271 2.498 0 40 BEAB Cc1ncc(C(=O)NC2CCCCC2)c(C)n1 19936909 YEQVKGFJSDUJBR-UHFFFAOYSA-N 233.315 2.156 0 40 BEAB Cc1ccc(CN2CCSCC2)cc1N 20257455 WWXYCVPEPZEQQB-UHFFFAOYSA-N 222.357 2.126 0 40 BEAB in-vitro Cc1ccc(OCC(=O)O)c2c1[C@@H](C)CC2=O 20281019 FCFFTPZBZQUDFH-QMMMGPOBSA-N 234.251 2.148 0 40 BEAB COc1ccc(CNC(=O)C=C(C)C)cc1 22928363 YMCMRLSKEUWNOU-UHFFFAOYSA-N 219.284 2.278 0 40 BEAB COC(=O)c1ccc(C(F)(F)F)c(O)c1 34468999 UJBJCCNJDGUZFA-UHFFFAOYSA-N 220.146 2.198 0 40 BEAB NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F 35235896 NGVIRIIQGBINNV-YUMQZZPRSA-N 211.227 2.083 0 40 BEAB in-vitro CC(C)(CO)Nc1ccc(Br)cn1 35606571 CESZUUDROCEANH-UHFFFAOYSA-N 245.120 2.027 0 40 BEAB in-vitro CC1(C)CC(NC2CCOCC2)CC(C)(C)N1 36304372 UOPCEZRTNSLQCV-UHFFFAOYSA-N 240.391 2.064 0 40 BEAB CCCCN(CCCC)C[C@@H](O)CNC1CC1 36950611 IGUARSSBUVHWKR-AWEZNQCLSA-N 242.407 2.002 0 40 BEAB CC[C@H](C)N[C@@H](C)c1nnc2ccccn12 36968962 IHBFLTPESZBDKW-UWVGGRQHSA-N 218.304 2.178 0 40 BEAB in-vitro Clc1ccccc1OC[C@@H]1CCNC1 38580767 GGZTUICODRRVKL-SECBINFHSA-N 211.692 2.328 0 40 BEAB CCN(CC)C(=O)c1cc(Cl)c[nH]1 40487748 SIOIFNZNDLPCQT-UHFFFAOYSA-N 200.669 2.150 0 40 BEAB CC(C)CNC(=O)CCOc1ccc(F)cc1 40498700 IYVVSQAPKIUOHO-UHFFFAOYSA-N 239.290 2.367 0 40 BEAB Cc1cnc(C(=O)Nc2cccc(F)c2F)cn1 49375070 YEDYCQKZBSSLQP-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB COC(=O)C(=O)c1ccc(C(C)(C)C)cc1 49817768 BCJIBIBGOKDPRV-UHFFFAOYSA-N 220.268 2.340 0 40 BEAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 68003588 DFALZQBOIYMCKU-CYBMUJFWSA-N 243.310 2.257 0 40 BEAB c1ccc([C@H]2CCCN2c2cnccn2)nc1 72381624 JCJKZTOEYASGDR-GFCCVEGCSA-N 226.283 2.213 0 40 BEAB O=Cc1cn2c(C(F)(F)F)cccc2n1 74139974 YYKGYBGXKOVSPV-UHFFFAOYSA-N 214.146 2.166 0 40 BEAB C[C@@H]1C[C@H]1NC(=N)Nc1ccc(F)cc1F 75583767 PMQKRTQDHLDOHL-LHLIQPBNSA-N 225.242 2.309 0 40 BEAB Cc1cc(CN2C[C@H](C)S[C@H](C)C2)no1 75895261 AWXRIOMPXPSWGE-AOOOYVTPSA-N 226.345 2.309 0 40 BEAB CCc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1 78739055 ZQARJYZAXJBHMC-GHMZBOCLSA-N 234.343 2.164 0 40 BEAB C[C@H]1C[C@H](C(=O)O)c2ccccc2N1C 83985762 KRYVSGCLBIXXRP-WPRPVWTQSA-N 205.257 2.083 0 40 BEAB CC(C)NC(=O)[C@H]1CCNc2ccccc21 84486178 HTXGJEKNABNIQF-NSHDSACASA-N 218.300 2.110 0 40 BEAB CNS(=O)(=O)c1c(C)sc2ccccc12 84936335 KCAWRDGZPMYNPT-UHFFFAOYSA-N 241.337 2.118 0 40 BEAB CCc1nsc(N[C@H]2CCCC[C@@H]2CO)n1 92656454 FZLSSYWMGPCOOM-BDAKNGLRSA-N 241.360 2.064 0 40 BEAB Clc1cnc(N[C@H]2CCCc3cn[nH]c32)nc1 95421555 KFIINSNYFFVBCK-VIFPVBQESA-N 249.705 2.343 0 40 BEAB CC(=O)NCCCNC(C)(C)CC(C)(C)C 95947168 XZZZQUCXURDGKB-UHFFFAOYSA-N 228.380 2.317 0 40 BEAB COC[C@@H](C)NC[C@@H](C)c1cccs1 97017014 CMIZNHIETVTVIO-NXEZZACHSA-N 213.346 2.476 0 40 BEAB CCN(CC)CCN[C@H]1CCCC[C@@H]1C 97050796 JCWCSKATCIVJMM-STQMWFEESA-N 212.381 2.497 0 40 BEAB COC(=O)c1cc(Cl)cc(O)c1Cl 199352727 BDVOMNDCYLEUHY-UHFFFAOYSA-N 221.039 2.486 0 40 BEAB OCc1nc(-c2ccccc2)c2ccccn12 225780408 CDXNRQOTPCAYLM-UHFFFAOYSA-N 224.263 2.494 0 40 BEAB CCCC[C@@H]1CCC[C@@H]1N[C@H]1CCN(C)C1=O 248999870 IJFMWDPLKNRNAQ-AGIUHOORSA-N 238.375 2.166 0 40 BEAB Cc1cnn(C)c1NCc1ccnn1C(C)C 256050680 GCPAVOFWEAVHPH-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB COc1ccc(CNc2cnn(C)c2C)cc1 256052558 NUWZYHSKRUITMQ-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB O=Cc1cc(OC(F)(F)F)ccc1[N+](=O)[O-] 396093457 HKDBSQIAQJAMDF-UHFFFAOYSA-N 235.117 2.306 0 40 BEAB Cc1csc(CNC(C)(C)C[C@@H](C)CO)n1 521396550 ZVBPCKZULFXWEV-SECBINFHSA-N 242.388 2.338 0 40 BEAB CC(=O)OCC(=O)c1ccccc1OC(C)C 575359130 RHWBLKVDCCLFSZ-UHFFFAOYSA-N 236.267 2.220 0 40 BEAB c1cc(-c2csc(O[C@H]3CCOC3)n2)c[nH]1 904843399 LFRAXDJYJTYJJR-VIFPVBQESA-N 236.296 2.306 0 40 BEAB CCOC(=O)n1c(=O)oc2cc(Cl)ccc21 50033 DLVDJPBJEBSUPN-UHFFFAOYSA-N 241.630 2.253 0 40 BEAB COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1 798226 FIMVOUAMAMVCTN-UHFFFAOYSA-N 246.266 2.307 0 40 BEAB CCOC(=O)c1cc2cccnc2nc1C 1495865 ZYWPUGVZOQIIMG-UHFFFAOYSA-N 216.240 2.115 0 40 BEAB COC(=O)[C@@H](O)c1ccc(C(C)C)cc1 2037111 HDNMOOPTGUTCBA-NSHDSACASA-N 208.257 2.016 0 40 BEAB Cc1cccc(C(=O)C2CCNCC2)c1 2526406 RCPUYLAUEQCVCU-UHFFFAOYSA-N 203.285 2.177 0 40 BEAB in-vitro O[C@@H]1CNCC[C@H]1c1cccc(C(F)(F)F)c1 3080601 GRVSNFYUBFPYMK-WDEREUQCSA-N 245.244 2.143 0 40 BEAB COc1ccc(NC(=O)c2ccc(C)o2)cn1 6831154 NERRAYCHCUTEOS-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB CCc1ccc(-c2n[nH]cc2C(=O)O)cc1 9189792 PTMAQEKNSGRYGK-UHFFFAOYSA-N 216.240 2.337 0 40 BEAB O=C(COc1ccccc1F)Nc1cccnc1 12562011 DLFWLANEGYUDJW-UHFFFAOYSA-N 246.241 2.238 0 40 BEAB O=C(NCc1ccccc1)c1ccoc1 18184316 FTPNLQMYDZHUKD-UHFFFAOYSA-N 201.225 2.210 0 40 BEAB CC(C)N1CCC(NCCc2ccccn2)CC1 19916417 NVZGFTBJCIQIGU-UHFFFAOYSA-N 247.386 2.087 0 40 BEAB COc1cc2c(cc1OC)[C@H](C)CC(=O)O2 21995740 KVCHQKXKFSGHIK-SSDOTTSWSA-N 222.240 2.116 0 40 BEAB COC(=O)[C@@H](c1ccc(N)cc1)C(C)C 26507033 IFGSXBYORYHZCP-LLVKDONJSA-N 207.273 2.181 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1 32981938 LCAGTUYVRBIWJP-PWSUYJOCSA-N 203.285 2.267 0 40 BEAB N[C@@H](c1ccccc1)C1(O)CCCCC1 34099951 QYZQCUZVVZWJDT-LBPRGKRZSA-N 205.301 2.382 0 40 BEAB Cc1cc(C(F)(F)C(F)(F)F)[nH]c(=O)c1 34217786 NWWMUUFRGVQFPK-UHFFFAOYSA-N 227.132 2.337 0 40 BEAB C[C@H]1CN(c2ncnc3ccccc23)[C@H](C)CO1 34870117 AWSDCGJYXVSDQE-MNOVXSKESA-N 243.310 2.243 0 40 BEAB Cc1ccccc1C[C@@H](C(=O)O)N1CCCC1 41260658 YUYVYYKUYPNBIT-ZDUSSCGKSA-N 233.311 2.087 0 40 BEAB COc1ccc(COCC2CCNCC2)cc1 43498035 PIEMSBMNSOAHAV-UHFFFAOYSA-N 235.327 2.211 0 40 BEAB Cc1ccc(CNC(=O)c2ccc(C)o2)cn1 47557109 WEPBBUGKIHEXIM-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB CONC(=O)NCCc1c(C)cc(C)cc1C 48851646 OILIJGAXYRTSNB-UHFFFAOYSA-N 236.315 2.015 0 40 BEAB CCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1 49466544 ZRMONEDUYHHAAX-DGCLKSJQSA-N 247.294 2.071 0 40 BEAB CC(C)(C)Nc1cc(C(=O)O)c(N)cc1F 50018441 UMNMXJZHBFJIQF-UHFFFAOYSA-N 226.251 2.317 0 40 BEAB in-vitro CNC[C@H](OC(C)C)c1ccc2c(c1)OCO2 62711643 PJVVURLBTSPCQM-ZDUSSCGKSA-N 237.299 2.101 0 40 BEAB Cc1ccc(F)c(O[C@H](C)C(=O)NC(C)C)c1 71916397 PFWZWQJCBOHRPI-SNVBAGLBSA-N 239.290 2.426 0 40 BEAB Nc1ccc(-c2ccc3cn[nH]c3c2)cn1 76188661 JCXQEBZTNMAZRJ-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB CC(C)CNc1ccccc1CC(=O)N(C)C 79016628 IQWSQJLXDWFRNQ-UHFFFAOYSA-N 234.343 2.385 0 40 BEAB C[C@@H]1C[C@@H](C(=O)O)c2ccccc2N1C 83985763 KRYVSGCLBIXXRP-PSASIEDQSA-N 205.257 2.083 0 40 BEAB Nc1nccc(-c2cc(F)cc(F)c2)n1 84933085 RJRPSDQMDKENFG-UHFFFAOYSA-N 207.183 2.004 0 40 BEAB Cc1c(F)cccc1NCc1cncn1C 85169446 FKXRGNWQWBRVSW-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB O=C1CC(=O)N(c2ccc(Cl)cc2Cl)C1 86475390 OEMPFMMMRHZLNM-UHFFFAOYSA-N 244.077 2.299 0 40 BEAB C[C@H](NC(=O)[C@@H]1CCC[C@H]1CN)c1ccccc1 89462782 WQVMIHUDYOMBDN-FPMFFAJLSA-N 246.354 2.239 0 40 BEAB O=C(NCC[C@@H](O)c1ccoc1)[C@@H]1CC=CCC1 90613062 ZAQSDYXSFSRWBD-DGCLKSJQSA-N 249.310 2.176 0 40 BEAB COc1ccc([C@H](N[C@H](C)CO)C(C)C)cc1 91306118 XFWDLSGTTUOEHB-BXUZGUMPSA-N 237.343 2.363 0 40 BEAB O=C(NC1CC1)N1CC=C(c2ccccc2)C1 95464355 BDFRLEQSLHWUKG-UHFFFAOYSA-N 228.295 2.258 0 40 BEAB CC(C)OC1CCN(Cc2ccncc2)CC1 96455366 PZPAGYWJNZQXGW-UHFFFAOYSA-N 234.343 2.471 0 40 BEAB Cc1cc(NC(=O)N2CCO[C@@H](C)[C@H]2C)ccn1 97048797 XONISPZCCCJNSX-MNOVXSKESA-N 249.314 2.031 0 40 BEAB C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CC2)C1 97138450 LJHHOJBZZCGGLP-HZMBPMFUSA-N 239.359 2.090 0 40 BEAB O=C1C[C@@H]2[C@@H]3C=C(Br)[C@@H]4[C@H]3C[C@H]2[C@@H]14 102137865 WAWOSPOONYNJAN-BKWWOGQESA-N 239.112 2.366 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N[C@H](C)CC(=O)c1ccccc1 110680316 MYYFCSUERNVDTI-LOWVWBTDSA-N 245.322 2.420 0 40 BEAB Cc1cccc(O[C@@H]2CCCC[C@H]2N)n1 131718090 NVTCGLCYCMNTKG-GHMZBOCLSA-N 206.289 2.039 0 40 BEAB O=C1NCC[C@@H]1Cc1cccc(Cl)c1 157317712 RLYPLWITWFFKAH-SECBINFHSA-N 209.676 2.019 0 40 BEAB Cc1cn[nH]c1[C@H]1CCN(Cc2nccs2)C1 205689829 ARAWNUIVSUORQQ-JTQLQIEISA-N 248.355 2.164 0 40 BEAB COc1ncc(NC(=O)C2CCCCC2)cn1 224279280 UTDAOMSFUWLPTN-UHFFFAOYSA-N 235.287 2.004 0 40 BEAB C[C@H]1C[C@H]2[C@@H](CO)C[C@H](C(F)(F)F)C[C@H]2O1 225761344 ABUHJJZZXMNMQT-CVPUBMOQSA-N 238.249 2.361 0 40 BEAB CC(C)OCCCNCc1ccnn1C(C)C 256051868 KUVFHTCZFRGSML-UHFFFAOYSA-N 239.363 2.369 0 40 BEAB COC(=O)c1nn(C(C)C)cc1Br 261084823 VRTGTRVVTTYFQW-UHFFFAOYSA-N 247.092 2.013 0 40 BEAB CN(C)c1cncc(NC(=O)C2CC3(CC3)C2)c1 633867791 PLIOWKIPFUJANL-UHFFFAOYSA-N 245.326 2.276 0 40 BEAB CCOc1nc2cc(F)ccc2cc1N 685937158 LZISKLNNTWOHQV-UHFFFAOYSA-N 206.220 2.355 0 40 BEAB CC1(C)O[C@@H]1C(=O)c1coc2ccc(O)cc12 163764 DQRBAQAWVBMNKP-GFCCVEGCSA-N 232.235 2.499 0 40 BEAB COC(=O)CCN1CCCC[C@H]1c1cccnc1 517623 LILGHMLCASYUAH-ZDUSSCGKSA-N 248.326 2.172 0 40 BEAB biogenic CCOC(=O)c1cc2cc(C=O)sc2[nH]1 1350570 QXSJWEIPRFFMHV-UHFFFAOYSA-N 223.253 2.219 0 40 BEAB COC(OC)[C@@H](O)[C@@H](C)CCC=C(C)C 1677795 KQXVQXGQCFOXHD-QWRGUYRKSA-N 216.321 2.349 0 40 BEAB CC(=O)c1oc2cccc(O)c2c(=O)c1C 1690862 IWWWUHHRDUWBLP-UHFFFAOYSA-N 218.208 2.010 0 40 BEAB COc1nc2ccccc2cc1/C=C/C(=O)O 3335156 FYWLPUONLPZDPD-VOTSOKGWSA-N 229.235 2.341 0 40 BEAB in-vitro COC(=O)[C@@H]1[C@H](C)[C@@H]2CCCC[C@@H]2C[C@@]1(C)O 5395546 YFOUZMQDXMJLSG-VXUPGSCNSA-N 240.343 2.373 0 40 BEAB COc1ccc(CCNCc2ccc[nH]2)cc1 6558926 NNQRJPWOYXZFHB-UHFFFAOYSA-N 230.311 2.356 0 40 BEAB C/C=C/[C@H]1OC(=O)C(C)(C)C(=O)C1(C)C 12341716 GXSBHXOJAAYYKJ-HYDMIIDASA-N 210.273 2.109 0 40 BEAB biogenic COCCOc1ccc(Br)cc1N 14630911 SCUYDHBRDTZHFB-UHFFFAOYSA-N 246.104 2.057 0 40 BEAB in-vitro C[C@H]1CC[C@H](n2cnc3c(=S)[nH]cnc32)O1 17325236 NJBZWOFTQWSFOI-NKWVEPMBSA-N 236.300 2.186 0 40 BEAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)C 19934772 WEDIVKAQVRQHPG-GFCCVEGCSA-N 221.300 2.241 0 40 BEAB CN(CCC(=O)O)c1ccccc1Cl 20133757 ATBSIKNNCQRPTF-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB CCCN1CNC(=S)N(c2ccc(C)cc2)C1 20188520 LQMUXTUAXTZHCW-UHFFFAOYSA-N 249.383 2.317 0 40 BEAB c1ccc(-c2noc(NC3CC3)n2)cc1 21629636 NTPWEESCRMRYGF-UHFFFAOYSA-N 201.229 2.311 0 40 BEAB C[C@H]1CCCN(Cc2ccccc2CN)C1 21953073 IVLIBJFMPDKULN-LBPRGKRZSA-N 218.344 2.377 0 40 BEAB in-vitro COc1ccccc1NC(=O)c1ccc[nH]1 32743639 CYCHIYQLPUSOJQ-UHFFFAOYSA-N 216.240 2.276 0 40 BEAB CC(=O)c1cc(C(=O)N2CCCC[C@H]2C)n(C)c1 32843852 WBXCWIOQXFRDPW-SNVBAGLBSA-N 248.326 2.242 0 40 BEAB C[C@H]1CN(c2nc3ccccc3o2)CCO1 32905447 AMBRVFDQBMYYMC-VIFPVBQESA-N 218.256 2.053 0 40 BEAB O=[S@@](O)c1ccccc1OC(F)(F)F 36533514 UATRSTYGNMPLSE-UHFFFAOYSA-N 226.175 2.166 0 40 BEAB CC(C)Nc1ccc(N2CCNC2=O)cc1 37076232 BMJWNHNZIXICIQ-UHFFFAOYSA-N 219.288 2.037 0 40 BEAB COC(CNCc1ccccc1Cl)OC 37388201 HTRBBOWHXMHKSK-UHFFFAOYSA-N 229.707 2.049 0 40 BEAB CCN(CC)[C@H](CN)c1ccc(C)cc1 38860371 LXTNKNAROJVMBB-CYBMUJFWSA-N 206.333 2.337 0 40 BEAB O=S(=O)(Nc1ccccc1)c1ccoc1 39121813 CZDZJMSOMOIAFL-UHFFFAOYSA-N 223.253 2.080 0 40 BEAB CN(CC(=O)NC(C)(C)C)c1ccccc1 40460789 XEDMCNLKFTVPFB-UHFFFAOYSA-N 220.316 2.038 0 40 BEAB COC(=O)CNc1ccc2nc(C)sc2c1 40468838 ZZLQTQDOCVULQT-UHFFFAOYSA-N 236.296 2.190 0 40 BEAB CCc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)o1 46437209 WLRMJTPTUDAEKF-ZJUUUORDSA-N 237.299 2.091 0 40 BEAB Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)no1 47464484 CFLCCUJLMSZVKY-DTORHVGOSA-N 222.288 2.101 0 40 BEAB COC(=O)c1cc(C)nc2c1cnn2C(C)C 47476063 SZZHVBGWUMONRQ-UHFFFAOYSA-N 233.271 2.107 0 40 BEAB Cc1c[nH]c(NC(=N)N2CCc3ccccc32)n1 49474259 GJTHNQQUICGSLF-UHFFFAOYSA-N 241.298 2.127 0 40 BEAB COc1ccc(C(=O)c2ccccn2)cc1F 55262553 KLJHNTKJMYGAEB-UHFFFAOYSA-N 231.226 2.460 0 40 BEAB Cc1ccc(C[C@@H](C(=O)O)N2CCCC2)cc1C 57536420 LDPYYAQJOFNJGE-AWEZNQCLSA-N 247.338 2.395 0 40 BEAB CC(C)Cn1ccnc1NC(=O)c1cccnc1 58230432 LBVIYHWRLBPWST-UHFFFAOYSA-N 244.298 2.186 0 40 BEAB C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1ccccc1 58324169 ONGFIMHMTAZHPB-AYSSICMYSA-N 245.322 2.336 0 40 BEAB CCOc1ccccc1NC(=O)c1ncccn1 62021845 CRGXLRYYPGFPSR-UHFFFAOYSA-N 243.266 2.128 0 40 BEAB CC(C)O[C@H](CN)c1ccc(F)cc1F 62711801 DPPBLWCKVUVYJP-LLVKDONJSA-N 215.243 2.390 0 40 BEAB CC(C)c1n[nH]c(C(=O)O)c1Cc1ccco1 72220415 BEJKLUGTDGUXML-UHFFFAOYSA-N 234.255 2.415 0 40 BEAB CC[C@H]1CCCCN1C(=O)Cn1cccc1C=O 72331887 BGBSTSUHJICMDG-LBPRGKRZSA-N 248.326 2.092 0 40 BEAB Clc1snnc1CSc1ncc[nH]1 78989231 INSXBULQWGTKKP-UHFFFAOYSA-N 232.721 2.207 0 40 BEAB CC(=O)c1c(N)sc2c1CCN(C(C)C)C2 83744557 KIEBFLVZRNLJSO-UHFFFAOYSA-N 238.356 2.299 0 40 BEAB Cc1ccccc1NC(=O)[C@H]1CCCCCN1 83896461 WOACAQKDPLFSMO-CYBMUJFWSA-N 232.327 2.466 0 40 BEAB O=C(O)c1cccc(Cc2ccccn2)c1 83951110 ZGQRLGJGHZLPQU-UHFFFAOYSA-N 213.236 2.371 0 40 BEAB Fc1ccc(COC[C@H]2CO2)cc1Cl 95096162 RHXXBAINNGIYDR-QMMMGPOBSA-N 216.639 2.395 0 40 BEAB CO/C=C(\F)C(=O)Nc1ccccc1F 96171756 SVGBVJUJYOVTCT-VURMDHGXSA-N 213.183 2.222 0 40 BEAB CCOCCCC(=O)Nc1cccc2[nH]cnc12 96411798 NZOUWCXQVZJSID-UHFFFAOYSA-N 247.298 2.318 0 40 BEAB CS(=O)(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 96510113 DSGGSQLUTHOFJP-UWVGGRQHSA-N 230.716 2.241 0 40 BEAB Cn1cc2nc(-c3ccccc3)nc(N)c2c1 96524208 YJUKPPKINIUYER-UHFFFAOYSA-N 224.267 2.218 0 40 BEAB NCCn1nccc1-c1ccccc1Cl 96527685 LJQNWNHCBTYZHL-UHFFFAOYSA-N 221.691 2.162 0 40 BEAB CC(=O)/N=c1\sc2cc(Cl)ccc2n1C 100815576 VWVVQZMXHWBJDR-BENRWUELSA-N 240.715 2.340 0 40 BEAB NN[C@@H](c1ccc(F)cc1)c1cccs1 161796522 BJABLALTDMCCLX-NSHDSACASA-N 222.288 2.440 0 40 BEAB Cc1cccn2c(CNc3ncccn3)cnc12 187916782 WZHKJEVHYFIFQI-UHFFFAOYSA-N 239.282 2.045 0 40 BEAB COCCn1cccc1CN1CCCCC1 225309387 OQRCVZLTKMBCJS-UHFFFAOYSA-N 222.332 2.120 0 40 BEAB Cn1c(=O)cc(C(F)F)c2cc(N)ccc21 225758424 PQVCGGPXDCMWKB-UHFFFAOYSA-N 224.210 2.058 0 40 BEAB CCOc1cc(Br)c(O)c(C=O)c1 226233317 HKVGQZAJULJUCK-UHFFFAOYSA-N 245.072 2.366 0 40 BEAB CCC(=O)Nc1cc(N)ccc1N1CCCC1 226255460 JRTYFCSULMBNSN-UHFFFAOYSA-N 233.315 2.218 0 40 BEAB CNc1ccc(N2CCCC[C@@H]2C)c(C(N)=O)c1 226279567 YXRJRRPSHKBKCX-JTQLQIEISA-N 247.342 2.206 0 40 BEAB C=CC(=O)Nc1ccc(O)c2ncccc12 230468768 VFVRCPZIPONAFD-UHFFFAOYSA-N 214.224 2.065 0 40 BEAB CCO[C@@]1(C)O[C@@H]2O[C@H](CC)CC[C@H]2O1 247996608 DAZPUNPPZZPTGQ-CHWFTXMASA-N 216.277 2.027 0 40 BEAB COC(=O)COc1cc(F)ccc1Cl 260039578 LBWYKWFZRDIWFS-UHFFFAOYSA-N 218.611 2.031 0 40 BEAB COc1ccc(C(=O)COC(C)=O)c(Cl)c1 309198333 VQTLNUSQGFXCJX-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB CC[C@H]1CCCCN1Cc1cc(=N)[nH]n1CC 408716928 SSQJNHYVMSQKFX-NSHDSACASA-N 236.363 2.080 0 40 BEAB CCO/C(=C\c1ccco1)c1n[nH]c(=N)s1 408718079 HROJFKFZTMTOSH-VURMDHGXSA-N 237.284 2.078 0 40 BEAB CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 606289692 LTDAANNGNROGHI-GXSJLCMTSA-N 241.331 2.469 0 40 BEAB N[C](CC(=O)O)c1cccc(C(F)(F)F)c1 1560407611 HDSKBWFZZOVGCU-UHFFFAOYSA-N 232.181 2.019 0 40 BEAB CCCC(=O)Nc1ccc(C(=O)OC)cc1 38425 RNUZJUNYRKTBMN-UHFFFAOYSA-N 221.256 2.212 0 40 BEAB O=C(c1ccccc1F)N1CCSC1=S 368670 YNZADQOZXVTAQG-UHFFFAOYSA-N 241.312 2.300 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C)[C@@H]1[C@@H]2C 519847 XECHVXPHGHIOKX-RXGFPQBGSA-N 210.317 2.232 0 40 BEAB O=C(O)Cc1csc(NCc2ccccc2)n1 874115 VYXLBHQSHNQXGM-UHFFFAOYSA-N 248.307 2.382 0 40 BEAB COc1ccc2c(c1)C(=O)[C@H]1CC(=O)CC[C@H]21 1630458 FZZWEJOHMLNMPL-PWSUYJOCSA-N 230.263 2.344 0 40 BEAB O=C(O)[C@@H]1CCCC[C@@]1(O)c1ccccc1 1846269 VCZPUGSOJXZKIP-WCQYABFASA-N 220.268 2.149 0 40 BEAB in-man C[C@H]1C[C@](O)(c2ccccc2)[C@H](C)CN1C 3901849 CTKBMLDLEZVLNP-MBNYWOFBSA-N 219.328 2.234 0 40 BEAB CCOC(=O)C1(C(=O)OCC)CCCC[C@H]1C 5014739 MGCXPTONXMVEMP-SNVBAGLBSA-N 242.315 2.309 0 40 BEAB CCn1c(CN(C)C)nc2ccccc21 5235854 WNFKEYKNJQMQNY-UHFFFAOYSA-N 203.289 2.118 0 40 BEAB CC(=O)CC(=O)Nc1cc(F)ccc1C 6206017 KTKFYMHVRFHEGP-UHFFFAOYSA-N 209.220 2.052 0 40 BEAB in-vitro COC(=O)[C@H]1CC(=O)CC[C@@H]1c1ccccc1 6385004 AXOQDYGCCCXXHG-OLZOCXBDSA-N 232.279 2.312 0 40 BEAB C(=C/c1nnc2ncccn12)\c1ccccc1 6514340 MARUCCNDODCYDL-BQYQJAHWSA-N 222.251 2.295 0 40 BEAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 7215169 IDLXROVVBKEMEG-YUSALJHKSA-N 231.295 2.282 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=S)NC2CC2)[C@@H]1C 7526488 FKBYCYJTJOSXCB-FXPVBKGRSA-N 226.389 2.438 0 40 BEAB COC(=O)c1ccc(Cl)c(S)c1 8378178 WWMHBUOOJSJLIG-UHFFFAOYSA-N 202.662 2.415 0 40 BEAB Cc1cccc(OC(=O)c2snnc2C)c1 8673490 RFYBIQCLIXPXPT-UHFFFAOYSA-N 234.280 2.374 0 40 BEAB CC(C)NC(=O)c1ccc2c(c1)CCC2 12973808 MHDXTHFHHAZGNO-UHFFFAOYSA-N 203.285 2.314 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1C 13024123 SCCZZHWSMQEVST-DTWKUNHWSA-N 235.331 2.312 0 40 BEAB COC(=O)c1cc(Cl)c2cn[nH]c2c1 14983137 BRRIKQXUDWIOIL-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB in-vitro CCNC(=O)c1ccc(F)cc1Br 19475074 VFQSKPXQIUULPA-UHFFFAOYSA-N 246.079 2.338 0 40 BEAB Nc1ccc(Sc2ncn[nH]2)c(Cl)c1 19845531 LANOUJNLKHMQEJ-UHFFFAOYSA-N 226.692 2.192 0 40 BEAB Cc1nn(C)c(C)c1C(=O)Nc1ccccc1F 29512403 UPLHPGSQLFNYAW-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB Cc1nc(-c2cccc(NC(=N)N)c2)cs1 31772062 VXYQNCWIPUSIOZ-UHFFFAOYSA-N 232.312 2.424 0 40 BEAB COc1ccc(CCNCC(F)F)cc1OC 37755692 WOHOVTFZAQSMIX-UHFFFAOYSA-N 245.269 2.101 0 40 BEAB CN[C@@H](CO)c1cc(Cl)cc(Cl)c1 38121388 LOBORLFPAAYCBR-VIFPVBQESA-N 220.099 2.246 0 40 BEAB COc1ccc([C@H](CN)OC(C)C)cc1 42963191 YPVZCFMFGCSBKK-LBPRGKRZSA-N 209.289 2.120 0 40 BEAB O=C(CCOc1ccccc1F)N1CCCC1 46466863 TZYXOGHFUFVFFN-UHFFFAOYSA-N 237.274 2.217 0 40 BEAB Cc1cccnc1NC(=O)N[C@@H](C)[C@H]1CCCO1 46974231 NWUAMSWXXBPYIS-WDEREUQCSA-N 249.314 2.079 0 40 BEAB OCc1ccc(F)c(-c2ccncc2)c1 47213073 ZFIMQCLJIRXHRE-UHFFFAOYSA-N 203.216 2.380 0 40 BEAB CC[C@@H](C)C(=O)NCc1nc(C)cs1 48354039 SQBVNZCZKGWOEG-SSDOTTSWSA-N 212.318 2.114 0 40 BEAB C[C@H](CCc1ccc(O)cc1)NCc1ncc[nH]1 49715403 XJQVHAJMWQDWHP-LLVKDONJSA-N 245.326 2.226 0 40 BEAB OCCC[C@@H]1CCCN1Cc1ccccc1 52762280 RKQFVFSOECMBDG-AWEZNQCLSA-N 219.328 2.424 0 40 BEAB CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O 60007090 XLDQNKSCLODJJQ-IUCAKERBSA-N 243.303 2.107 0 40 BEAB Cc1cnc(NCc2ccccn2)s1 62716560 KIEWGQLTMKQZEH-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB CC(C)N1CCC[C@@H]1c1ccc(N)nc1 72212361 QYUXEAIYHUXLDR-LLVKDONJSA-N 205.305 2.209 0 40 BEAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnc[nH]1 76619717 PPIAKDORZGKLCZ-FOGDFJRCSA-N 233.315 2.203 0 40 BEAB O=C(c1cccnc1)N1Cc2ccccc2C1 82278868 YTWMDIGEVGMIDF-UHFFFAOYSA-N 224.263 2.238 0 40 BEAB Cn1ccc2c(Br)nccc21 82373788 YYGNJLZVGSXADT-UHFFFAOYSA-N 211.062 2.336 0 40 BEAB C[C@@H](Cc1ccoc1)NC(=O)c1ccco1 84835683 PLSWUAVRQXFAOL-VIFPVBQESA-N 219.240 2.234 0 40 BEAB COc1cccc(-c2nc(C=O)co2)c1 90554797 YDMNLGWLOAPWIM-UHFFFAOYSA-N 203.197 2.163 0 40 BEAB CC1(C)CC[C@H](C(N)=O)c2ccccc21 95348533 PYXLNYNUSZVTNW-JTQLQIEISA-N 203.285 2.327 0 40 BEAB CC(=O)N1CCOc2c(Cl)cccc21 95415856 SAMJJBREYMFVNS-UHFFFAOYSA-N 211.648 2.085 0 40 BEAB COC(=O)c1c[nH]cc1-c1csc(C)n1 95883830 HAKZGYSZDGGFCU-UHFFFAOYSA-N 222.269 2.233 0 40 BEAB in-vitro CC1=CCC[C@H](C)[C@H]1CNCCn1cccn1 95986283 ULEOHDRNTMVFSY-KBPBESRZSA-N 233.359 2.465 0 40 BEAB Nc1nccn1-c1cccc(Br)c1 96029477 UROBPZYRIWTYLX-UHFFFAOYSA-N 238.088 2.217 0 40 BEAB O=C(c1cnccn1)N1CCC2(CCCC2)CC1 96414626 STWKGULZUKLDMN-UHFFFAOYSA-N 245.326 2.273 0 40 BEAB Cc1cc(F)c(C(=O)Nc2cnccn2)cc1F 97145995 WOHQHXXSRNOXMW-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB CC(C)NC[C@H]1CCCN2CCCC[C@H]12 98063897 HJRYJEQUBFLNGH-CHWSQXEVSA-N 210.365 2.249 0 40 BEAB biogenic C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CCC(=O)O 100746645 YMCGZMYNZAJAAY-AXTRIDKLSA-N 210.273 2.247 0 40 BEAB CC(C)N1[C@H]2CC[C@H]1CC(N)(C(F)(F)F)C2 110767602 UWSROLMXPJISLZ-IUCAKERBSA-N 236.281 2.281 0 40 BEAB CN(Cc1ccccc1)[C@@H]1CCC[C@H]1O 226276409 IXHIAEDIWOYRFY-CHWSQXEVSA-N 205.301 2.032 0 40 BEAB Cc1cn[nH]c1[C@@H]1CCCCN1Cc1c[nH]cn1 257238640 HLWYEULKPVAQBH-LBPRGKRZSA-N 245.330 2.168 0 40 BEAB COC(=O)c1cccc([C@H]2C[C@@H]3CC[C@H](C2)N3)c1 265540677 NIOGYEYZJWSVBN-ZSOGYDGISA-N 245.322 2.471 0 40 BEAB COc1ccccc1CCN(C)c1cnccn1 301182915 IJWXTMODYDCBJV-UHFFFAOYSA-N 243.310 2.164 0 40 BEAB CC(C)(C)OC(=O)N1CCNC2(CCC2)CC1 669371511 BRLNQMBXTGCPBH-UHFFFAOYSA-N 240.347 2.140 0 40 BEAB CCc1c(Cl)nnc(Cl)c1C(=O)O 2002106696 WIMMCKLIERXPSD-UHFFFAOYSA-N 221.043 2.044 0 40 BEAB COc1c(C(C)=O)c(O)c(OC)c2occc12 132974 GEUAWNMVARSYHO-UHFFFAOYSA-N 236.223 2.358 0 40 BEAB biogenic C[C@H]1CCC[C@]2(C1)NC(=S)N(C(C)(C)C)N2 139823 IARFFTLYQWSPOS-CABZTGNLSA-N 241.404 2.386 0 40 BEAB CCOC(=O)c1c(OC)cc(C)cc1OC 1646480 JJCYMDPFONTGPL-UHFFFAOYSA-N 224.256 2.189 0 40 BEAB Cc1nc(C)c(I)s1 1688643 BCYWRJPGSLJTBT-UHFFFAOYSA-N 239.081 2.365 0 40 BEAB CCOc1ccc(C2OCCO2)cc1OC 1689222 NFXDSTGOUAXWHN-UHFFFAOYSA-N 224.256 2.139 0 40 BEAB COc1cc2ccc(CO)cc2cc1OC 1722926 QKZXZJRJQRDIID-UHFFFAOYSA-N 218.252 2.349 0 40 BEAB COc1cc(C=O)c(Br)c(OC)c1 2569475 SOKPGTRDTOKLPD-UHFFFAOYSA-N 245.072 2.279 0 40 BEAB O=C(NC1=NCCS1)[C@@H]1C[C@H]1c1ccccc1 2737100 KRMDOGUODZDKRY-WDEREUQCSA-N 246.335 2.009 0 40 BEAB Cc1ccc([C@H]2NC(=O)c3ccccc3N2)o1 4108187 HTIWQIPVCIRJKO-GFCCVEGCSA-N 228.251 2.442 0 40 BEAB CC(=O)O[C@H]1CCc2ccccc2[C@@H]1OC(C)=O 4667595 PWDTYDXUIYVSGG-KBPBESRZSA-N 248.278 2.169 0 40 BEAB CN1CCC(C(=O)c2ccccc2)CC1 6920614 RPLQRYXJBIJBFR-UHFFFAOYSA-N 203.285 2.211 0 40 BEAB CCNC(=O)NCc1ccc(Cl)cc1 9366116 NTTSTSMKVRXPLE-UHFFFAOYSA-N 212.680 2.159 0 40 BEAB Cc1nc(C)c2c(C)c(C(=O)O)sc2n1 12505535 AIJMJWLEFKZSRF-UHFFFAOYSA-N 222.269 2.315 0 40 BEAB in-vitro CCOC(=O)CCCNCc1ccccc1 13997976 SPOUHRALSDBNCQ-UHFFFAOYSA-N 221.300 2.120 0 40 BEAB O=C(O)c1ccc(OC2CCCCC2)nc1 19257213 SYZZLPCJWMJIAI-UHFFFAOYSA-N 221.256 2.491 0 40 BEAB CC[C@H](C)Oc1ccc(CN)cc1OC 20217256 TWIHOADTIAPKTM-VIFPVBQESA-N 209.289 2.331 0 40 BEAB Cc1nn(C)cc1NCc1cccc(F)c1 20350354 PJEOYFPOOQEVEJ-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Cc1c(CNc2ccc(C(=O)O)cc2)cnn1C 20353798 CTWSSQTXGUKAJM-UHFFFAOYSA-N 245.282 2.039 0 40 BEAB Cc1cc(C)c(C(=O)CN2CCOCC2)c(C)c1 20791931 FHMNPPFGPSSEGS-UHFFFAOYSA-N 247.338 2.127 0 40 BEAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)C 21768414 REBWPJBTNMHZJC-UHFFFAOYSA-N 230.267 2.352 0 40 BEAB Cc1cccc(C(=O)NCc2cccnc2)c1O 21788863 QFBOGHGVBGYCHC-UHFFFAOYSA-N 242.278 2.026 0 40 BEAB CCc1nnc(NC(=O)c2cccc(C)n2)s1 24444968 UXXWSMFVAKZKRY-UHFFFAOYSA-N 248.311 2.056 0 40 BEAB Fc1ccc(F)c(CNC[C@@H]2CCCO2)c1 37228404 JYDNFKSBICLXTD-NSHDSACASA-N 227.254 2.233 0 40 BEAB CN(Cc1ccc(O)cc1)C(=O)C1CCC1 37987646 HBMUZDMFNGPHBR-UHFFFAOYSA-N 219.284 2.151 0 40 BEAB CC(C)c1cc(=O)n(-c2ccccc2)n1C 39286339 IHSLNOJDOWAKIH-UHFFFAOYSA-N 216.284 2.299 0 40 BEAB Cc1nn(-c2ccccc2)nc1C(=O)OC(C)C 40538110 MCINVNBJUKWIDV-UHFFFAOYSA-N 245.282 2.141 0 40 BEAB CCCCC(=O)N1CCO[C@H]2CCCC[C@H]21 41194516 XIYDXOVBCWBWIY-NEPJUHHUSA-N 225.332 2.347 0 40 BEAB CN(Cc1cccc(N)c1)Cc1cscn1 42858813 RPJHXFTVSBKUOS-UHFFFAOYSA-N 233.340 2.357 0 40 BEAB in-vitro Cc1cc(C(=O)N(C)Cc2ccc(C)o2)no1 47466129 LFGXHFCQLQANNZ-UHFFFAOYSA-N 234.255 2.157 0 40 BEAB CONC(=O)CCc1ccc(C)c(Cl)c1 53720899 LDCUXENKJCMJNV-UHFFFAOYSA-N 227.691 2.259 0 40 BEAB C[C@H](Cc1ccc2ccccc2n1)C(=O)O 62571892 VRXNANVZVYGLDK-SECBINFHSA-N 215.252 2.498 0 40 BEAB CNC(=O)[C@H](OC1CCCC1)c1ccccc1 69530176 KUUYSXQZLCCTRM-CYBMUJFWSA-N 233.311 2.433 0 40 BEAB c1ccc(CCNc2nncs2)cc1 69965716 SYVVCYYVLFHSMR-UHFFFAOYSA-N 205.286 2.193 0 40 BEAB in-vitro N[C@H]1CCCC[C@H]1NCc1cccc(F)c1 72411154 RZBAYURBQUDRQO-QWHCGFSZSA-N 222.307 2.185 0 40 BEAB COCCSc1nnc(C2CC2)s1 74795032 GSUWZUHBMPEQIC-UHFFFAOYSA-N 216.331 2.154 0 40 BEAB CCOc1ccc(-c2nnc(N)o2)cc1Cl 82549629 ZKZRMTGNBLEMDA-UHFFFAOYSA-N 239.662 2.371 0 40 BEAB CC(C)(C)OC(=O)NCCC[C@@]1(C)CCCN1 88613838 GCUCPMRCMMNPFQ-ZDUSSCGKSA-N 242.363 2.433 0 40 BEAB Cc1nnc(CSC2=N[C@@H](C)CS2)o1 89522622 LFXBRCOZURRPJT-YFKPBYRVSA-N 229.330 2.103 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@@H]2CCCN[C@@H]2C)c1 91496544 URYYTKGBFRLNNV-TZMCWYRMSA-N 246.354 2.174 0 40 BEAB c1ncc(CN2C[C@H]3CCC[C@@H]3C2)s1 93443014 IDMHDGSVRJLNJU-NXEZZACHSA-N 208.330 2.375 0 40 BEAB Fc1ccc(Cl)cc1CNCc1cc[nH]n1 95435695 DMLPBBLUXINDTJ-UHFFFAOYSA-N 239.681 2.492 0 40 BEAB Cc1nnc(SC2C[C@@H]3CC[C@H](C2)N3)s1 95908606 MOEUJKNWFQAPGV-JVHMLUBASA-N 241.385 2.222 0 40 BEAB O=C(c1ccnn1C1CCCC1)N1CCCC1 96476297 WPZPYDUXODSLAN-UHFFFAOYSA-N 233.315 2.234 0 40 BEAB Cn1ncc2cc(Cl)c(Cl)nc21 96511244 XVAWDYXGOUGCOG-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CC(=O)Oc1cccc(C(=O)C(F)(F)F)c1 100602299 IOQXUBKAIQXQSD-UHFFFAOYSA-N 232.157 2.357 0 40 BEAB COc1cc(N2Cc3ccccc3C2)ncn1 124083439 BLYUJVUKKMTGGM-UHFFFAOYSA-N 227.267 2.005 0 40 BEAB C[C@H]1C[C@]1(CN)[C@@H](O)c1cccc(Cl)c1 216576393 XBJANVHKFVLHTL-KPXOXKRLSA-N 225.719 2.358 0 40 BEAB COc1ccccc1N1CCN[C@H]2CCCC[C@H]21 218832705 BMMDBEJVFDAXMM-QWHCGFSZSA-N 246.354 2.416 0 40 BEAB CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 222973768 LTDZZUZBAZFMPU-SNVBAGLBSA-N 233.311 2.079 0 40 BEAB CCc1nnc(CC)n1-n1c(C)ccc1C 225150187 SYBCQVLDYWTHAT-UHFFFAOYSA-N 218.304 2.133 0 40 BEAB OCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1 225604376 OVVBWEHDEHIPHK-NXEZZACHSA-N 226.279 2.487 0 40 BEAB COC(=O)CCCN1CC[C@H](C)C[C@@H]1C 225735753 WSESNHKGXPQSGO-QWRGUYRKSA-N 213.321 2.060 0 40 BEAB COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccn1 252570830 XILYHENRCOTOGI-LOWVWBTDSA-N 248.326 2.074 0 40 BEAB CO[C@@H]1CCN(Cc2ccc(C)s2)C1 334414948 MTESPZZUJJKHDV-SNVBAGLBSA-N 211.330 2.277 0 40 BEAB CC[C@H](C)OCc1nn(C)cc1Cl 408715124 AONIAECCOKQVEI-ZETCQYMHSA-N 202.685 2.389 0 40 BEAB S=C1N[C](Cc2ccccc2)CS1 1560408705 XEOTUJOIMUZZCO-UHFFFAOYSA-N 208.331 2.382 0 40 BEAB CN1CCN(c2nc(C(C)(C)C)cs2)CC1 2127 KJWKKFSEVNVWPM-UHFFFAOYSA-N 239.388 2.192 0 40 BEAB in-man OC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 27584 SQVLEVBFFCTROY-YIONKMFJSA-N 231.339 2.217 0 40 BEAB Cc1ccccc1NC(=O)c1csnn1 1361023 ROLAVJYNVALDJF-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CN1C(=O)c2ccc3ccccc3c2C1=O 1696032 JVTIUKODBFHDLP-UHFFFAOYSA-N 211.220 2.066 0 40 BEAB C[n+]1cccc2cc(Br)ccc21 1707120 GSFWAPSMBGTFTN-UHFFFAOYSA-N 223.093 2.427 0 40 BEAB Cc1c(CNCc2ccc(F)cc2)cnn1C 2536059 CVXHIGKCTJZPNC-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB O=C1c2ccccc2C[C@@]12CCCCO2 3848063 VJVGOXWCZISFMZ-ZDUSSCGKSA-N 202.253 2.365 0 40 BEAB biogenic CC(C)c1ccc(NC(=O)C(=O)NC2CC2)cc1 4269284 XWSWRUMKYBGMOO-UHFFFAOYSA-N 246.310 2.027 0 40 BEAB C[C@H]1CC(O)(c2ccccc2)C[C@H](C)N1C 4728784 SFCKGVRRVILRML-RYUDHWBXSA-N 219.328 2.377 0 40 BEAB O=C1NN2Cc3ccccc3C2=Nc2ccccc21 4769985 DTLBHFNDXRITJT-UHFFFAOYSA-N 249.273 2.239 0 40 BEAB O=c1c(N2CCOCC2)csc2ccccc12 5202372 PUMVHOYXQZHZHK-UHFFFAOYSA-N 247.319 2.098 0 40 BEAB Cc1ccc(OC(=O)CCCC(=O)O)cc1 5545071 JIGYCYQPEVEOHA-UHFFFAOYSA-N 222.240 2.155 0 40 BEAB Clc1nc(-n2ccnc2)c2ccccc2n1 11756740 NRYZMDHFEWLPDQ-UHFFFAOYSA-N 230.658 2.469 0 40 BEAB O=C(O)CN1CCC[C@H]1C1CCCCC1 12398649 VPAULUYZUDTELY-NSHDSACASA-N 211.305 2.116 0 40 BEAB C[C@@H](NC(=O)NC1CC1)c1ccccc1F 12925561 SVTWKBDBWKRXBM-MRVPVSSYSA-N 222.263 2.348 0 40 BEAB CC(C)(C)[C@@H](O)CC(=O)C(F)(F)C(F)F 13940834 MUIZZZIEBIXZSZ-YFKPBYRVSA-N 230.201 2.253 0 40 BEAB CCOc1cccc(OC[C@@H]2CCCNC2)c1 14631341 PFOMCLWUBJEJLN-GFCCVEGCSA-N 235.327 2.464 0 40 BEAB Cc1cc(O[C@H](C)C(N)=O)cc(C(C)C)c1 16046957 NESFMWXLIBGQQQ-SNVBAGLBSA-N 221.300 2.371 0 40 BEAB CCN(CC)CCNCc1ccccc1F 19919631 ZZXMTFNRSLOLST-UHFFFAOYSA-N 224.323 2.257 0 40 BEAB N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 22942156 QPMFCOOSBGLJNO-NSHDSACASA-N 244.260 2.238 0 40 BEAB CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 26957055 SHHQWCFPXBMQNF-NXEZZACHSA-N 241.718 2.304 0 40 BEAB COc1cc(C(=O)O)ccc1OCC(F)F 37755400 QOGWVTSWYRAFDB-UHFFFAOYSA-N 232.182 2.037 0 40 BEAB C[C@H](NN)c1ccc(Br)s1 38003523 PLAJJQLADPVWBX-BYPYZUCNSA-N 221.123 2.035 0 40 BEAB CC(C)C[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O 38528675 GYOVBMLJVOOBQA-GFCCVEGCSA-N 245.319 2.401 0 40 BEAB CC[C@H](C)C(=O)N[C@H](C)Cc1ccco1 40074696 WMPBOUCRBQIJKZ-VHSXEESVSA-N 209.289 2.373 0 40 BEAB CC[C@@H](C)NC(=O)CCc1nc(C(C)C)no1 40088736 ICJHEZRCOJSVAZ-SECBINFHSA-N 239.319 2.040 0 40 BEAB CC[C@H](C)Nc1ccc(C(=O)OC)cc1N 41046105 VEZGEQCQXASWHC-QMMMGPOBSA-N 222.288 2.266 0 40 BEAB Cc1nc2ccccc2n1C[C@H]1CCCN1 43495927 JTIXTBNEEVXQSA-LLVKDONJSA-N 215.300 2.097 0 40 BEAB Cc1ccnc(NC(=O)CCc2cccnc2)c1 44874845 ISYVHSJHXKSPQP-UHFFFAOYSA-N 241.294 2.356 0 40 BEAB CCc1cc(N)cc(C)c1SCCO 45889539 XNBCTFYFLIZDIL-UHFFFAOYSA-N 211.330 2.224 0 40 BEAB Cc1noc(Cl)c1CCC(=O)NC(C)(C)C 58418214 LOSUQDLNIXDKPQ-UHFFFAOYSA-N 244.722 2.484 0 40 BEAB CC[C@@H](C)NCc1ccc(OCC(=O)O)cc1 62716797 LHLHMHBHDNRDJH-SNVBAGLBSA-N 237.299 2.038 0 40 BEAB Cc1ccc(C(=O)N[C@H]2CNCC[C@@H]2C)cc1C 71412616 YTODCVWOMCMBMV-FZMZJTMJSA-N 246.354 2.031 0 40 BEAB C[C@H]1CN(Cc2cccc(Cl)c2)CCN1 71531992 XHNYQZBPUPLYHZ-JTQLQIEISA-N 224.735 2.134 0 40 BEAB CC(C)COC[C@H](C)NC(=O)C1CCCC1 71924329 ROZAQOPQBLNZRC-NSHDSACASA-N 227.348 2.354 0 40 BEAB Cc1c(Cl)cccc1N1CC[C@@H](O)C1 72206459 WFJOHEQOHALZCA-SECBINFHSA-N 211.692 2.219 0 40 BEAB Cc1cccc([C@@H]2CCCCN2C=O)n1 72211109 IOGBFFNWSYHRGM-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB CCS(=O)(=O)N1CCC[C@H]1c1ccc(C)o1 72286628 TUBAWLGSBMYHQX-JTQLQIEISA-N 243.328 2.075 0 40 BEAB CC(=O)c1cc(C(=O)O)c(C)n1C(C)C 78404539 ZXWCBLKXDJUQIZ-UHFFFAOYSA-N 209.245 2.278 0 40 BEAB COCCN[C@H](C)c1ccn(C(C)C)c1 78406139 GLPMTPDWZPYYGF-LLVKDONJSA-N 210.321 2.366 0 40 BEAB Cc1nn(C)c(C)c1OC(=O)CCc1ccco1 84012278 RWOBRMRUHNDLRQ-UHFFFAOYSA-N 248.282 2.168 0 40 BEAB Cc1cccc([C@H](O)C2(CN)CC(C)C2)c1 85396033 JDTBFYJBBSQCOU-QRMWWUJWSA-N 219.328 2.403 0 40 BEAB O=C(C1=CCCCO1)N1CCC[C@H]1C1CCC1 89817912 HMTQSHRETIPGQC-LBPRGKRZSA-N 235.327 2.472 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C)Cc2ccccc21 89920448 VSPNQOVMEANQFU-YPMHNXCESA-N 244.338 2.121 0 40 BEAB CC(C)Cc1n[nH]c([C@H](N)c2ccc(F)cc2)n1 95533340 CUOPOOKPMSQHTL-GFCCVEGCSA-N 248.305 2.190 0 40 BEAB Cc1ccc(C(=O)CSCC(=O)O)c(C)c1 95634242 DLOFDRXKKFHDBP-UHFFFAOYSA-N 238.308 2.304 0 40 BEAB COc1cc(C(C)(C)O)cc(F)c1F 95739216 DGLPXOCKIXBAQA-UHFFFAOYSA-N 202.200 2.201 0 40 BEAB COc1cc(C(=O)O)cc(C2CCCC2)n1 96872794 HNBBOUJRDHVLFJ-UHFFFAOYSA-N 221.256 2.446 0 40 BEAB Fc1ccc2c(c1)CCN(Cc1csnn1)C2 97235452 TWOYPFGMGDSFGU-UHFFFAOYSA-N 249.314 2.236 0 40 BEAB C[C@@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@@]26C[C@@H](O)C=C[C@]56[C@H]([C@@H]1C)[C@@H]43 104286514 VVDJHGYLWXVZIO-BDUSENDZSA-N 228.335 2.317 0 40 BEAB Nc1ncc2c(n1)-c1ccc(Cl)cc1C2 127922255 MTHJQKOPVGJJEP-UHFFFAOYSA-N 217.659 2.283 0 40 BEAB C[C@H](O)c1cn(Cc2cccc(Cl)c2)nn1 163467351 VKWRTWDWTSBOIV-QMMMGPOBSA-N 237.690 2.033 0 40 BEAB CC(=O)OC/C=C(\C)CC[C@@H]1N(C)C1(C)C 169804282 IKXGGDPTPVSXQR-MPFAEQKASA-N 225.332 2.369 0 40 BEAB CSCCCCC(=O)Nc1nccc(C)n1 194663356 OHSGRTTVJBDHGR-UHFFFAOYSA-N 239.344 2.257 0 40 BEAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@@H]21 242463629 DGBXKFVUWZAVCW-LXGUWJNJSA-N 238.205 2.065 0 40 BEAB CN(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 249070539 YGLMVCVJLXREAK-WTPMCQDGSA-N 222.332 2.082 0 40 BEAB in-vitro CCOc1cccc(C2(C(=O)OC)CC2)c1 258530461 PWMOZXGFICNNFP-UHFFFAOYSA-N 220.268 2.290 0 40 BEAB CN1CCC[C@@H](CN(C)c2ccccc2)C1 408729184 BDFAQKYUIBPFQG-CYBMUJFWSA-N 218.344 2.465 0 40 BEAB CCN(CC)C(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 309834 SJQNRBALVVJKLQ-QWRGUYRKSA-N 237.343 2.250 0 40 BEAB O=C1NN[C@H](c2ccccc2)c2ccccc21 1672643 AUJMOIDYBYCZKW-CYBMUJFWSA-N 224.263 2.024 0 40 BEAB CCC(=O)OCCN(C(=O)CC)c1ccccc1 1687140 BGIDGQXIZIEEBP-UHFFFAOYSA-N 249.310 2.383 0 40 BEAB CCCOC(=O)CCC(=O)N(CCC)CCC 1687957 QYPCSIWAKGGAFC-UHFFFAOYSA-N 243.347 2.368 0 40 BEAB Cc1nn(-c2ccc(F)cc2)c(C)c1N 2656379 FZSZHNJEJCFJJZ-UHFFFAOYSA-N 205.236 2.210 0 40 BEAB COc1cc2c(cc1/C=C/C(=O)O)O[C@H](C)C2 4204633 PHKOSLCCKOCYJP-MPJRPATESA-N 234.251 2.116 0 40 BEAB CCOC(=O)[C@@H]1CC2(CCCC2)N2CCC[C@H]12 4344016 SQVGKJHPVVUQEZ-VXGBXAGGSA-N 237.343 2.347 0 40 BEAB CC1=N/C(=C\c2ccc(F)cc2)C(=O)O1 5296563 CJDRPIOMZCOCEB-POHAHGRESA-N 205.188 2.142 0 40 BEAB in-vitro CCN1C(=O)S/C(=C/c2ccncc2)C1=O 6325838 ZLVNLPBAAJSJHF-VQHVLOKHSA-N 234.280 2.138 0 40 BEAB COc1ccc(NC(=O)CC(C)C)c(N)c1 8703567 JXJNTIAOTAAGHF-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C2CC2)c1C 8729245 YMIMSKLBCCHNBU-MRVPVSSYSA-N 248.326 2.362 0 40 BEAB COC(=O)c1cc(C2CC2)nc2onc(C)c12 12394951 HGMVGQHECMRUGZ-UHFFFAOYSA-N 232.239 2.195 0 40 BEAB CN(C)c1nc2ccc3ncccc3c2n1C 13282302 YGOGSJACFXSIAO-UHFFFAOYSA-N 226.283 2.188 0 40 BEAB in-vitro Cc1cccc2cc3c(nc12)O[C@@H](C)CNC3 19236733 HVZSZGYPTREYOE-JTQLQIEISA-N 228.295 2.414 0 40 BEAB CC(C)(C)NC(=O)c1cc(Cl)ccc1N 20155192 XLOJXUUGTXBLQZ-UHFFFAOYSA-N 226.707 2.451 0 40 BEAB CO[C@@H]1C(C)=C(C)C(=O)N1C1CCCCC1 20169508 CEEBMSBLQYSBES-CYBMUJFWSA-N 223.316 2.470 0 40 BEAB Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1 20514805 UCEHDHVFMWNIPD-UHFFFAOYSA-N 247.342 2.164 0 40 BEAB COc1cccc([C@@H]2C[C@H]2C(C)=O)c1OC 20594340 GAECBCABHWULGJ-QWRGUYRKSA-N 220.268 2.396 0 40 BEAB Cc1cccc([C@@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1 22214801 CLNKIICQKRMIRN-UMVBOHGHSA-N 248.370 2.104 0 40 BEAB CC(C)c1nc2ccc(CC(=O)O)cc2[nH]1 31893068 MOXRSZFDOCZWBL-UHFFFAOYSA-N 218.256 2.313 0 40 BEAB CC(=O)Nc1cccc(NC(=O)c2ccc[nH]2)c1 32743668 RTOSNLOBCQGPJE-UHFFFAOYSA-N 243.266 2.225 0 40 BEAB CNC(=O)c1ccc(OC2CCCC2)cc1 32815748 FXOLHLADLZJMHY-UHFFFAOYSA-N 219.284 2.368 0 40 BEAB c1ccc(CN2CCC[C@@H](NC3CC3)C2)cc1 36904500 KSJRWDWIFHZRLF-OAHLLOKOSA-N 230.355 2.403 0 40 BEAB CCCN(C)Cc1ccc(C(=O)OC)cc1 37098635 LJMWATYGVMOQRR-UHFFFAOYSA-N 221.300 2.315 0 40 BEAB CCN(CC)[C@](C)(C(=O)O)c1ccc(F)cc1 37360523 BUBOIDHBKWDONM-ZDUSSCGKSA-N 239.290 2.467 0 40 BEAB CN(C(=O)c1cccn1C)c1ccccc1 39969183 JQMHYYLELZTQHW-UHFFFAOYSA-N 214.268 2.302 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2cc(C)ccc12 42898793 KIIIACBMWMPPEF-UHFFFAOYSA-N 231.251 2.222 0 40 BEAB COc1ccccc1[C@@H]1OCC(C)(C)N1C 54967428 XUKKSEBVJIEVKG-LBPRGKRZSA-N 221.300 2.434 0 40 BEAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCNC2)c1 62114126 RAVVIBZVHHOFNR-QWHCGFSZSA-N 246.354 2.090 0 40 BEAB O=C(Nc1cc(-c2ccccn2)no1)C1CCC1 65152751 AJJXEBKPRNPOQQ-UHFFFAOYSA-N 243.266 2.475 0 40 BEAB COC(=O)c1cc(O)c2cc(F)c(F)cc2n1 67172718 IAOJNGHTHOBUPV-UHFFFAOYSA-N 239.177 2.005 0 40 BEAB CCN(Cc1ccoc1)C(=O)NC(C)C 69654600 YWNAQFSWTUFHQV-UHFFFAOYSA-N 210.277 2.220 0 40 BEAB O=C1N[C@@H](c2ccc(Cl)o2)Nc2ncccc21 72302524 JKDFJYULBDXWAL-JTQLQIEISA-N 249.657 2.182 0 40 BEAB COCCSC(=N)Nc1ccccc1OC 73893983 MHSORMIYZCVNFK-UHFFFAOYSA-N 240.328 2.421 0 40 BEAB O=C(c1cc(Cl)ccn1)C(F)(F)F 91356061 GVZHTULAQCNBCU-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB CC(C)(N)c1ccc(C(F)(F)F)cn1 91692085 KECRZZDNPVKRRW-UHFFFAOYSA-N 204.195 2.294 0 40 BEAB CCOC[C@H](C)NC1CCN(CC(C)C)CC1 95419961 CXTBWHPXJNQJEO-ZDUSSCGKSA-N 242.407 2.121 0 40 BEAB O=C(c1ncccc1Cl)C(F)(F)F 95761307 COZKVCRQRZXQLQ-UHFFFAOYSA-N 209.554 2.480 0 40 BEAB COc1ccccc1CCCNC(=O)C(C)C 223232046 LXFRSCAMJDBFND-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB CO[C@H](Cc1cc(Cl)ccc1C)C(=O)O 225078464 MLUOBJMDEUBLJS-SNVBAGLBSA-N 228.675 2.291 0 40 BEAB COc1ccccc1N1CCN[C@@H]2CCCC[C@@H]21 225712863 BMMDBEJVFDAXMM-OLZOCXBDSA-N 246.354 2.416 0 40 BEAB C[C@@H]1NCc2cc(Br)cnc21 228965698 YNDLMIJKIYOBET-YFKPBYRVSA-N 213.078 2.008 0 40 BEAB Cc1cn(C)nc1CNCc1ccc(F)s1 256049785 BKXRPLZWVQJGNR-UHFFFAOYSA-N 239.319 2.219 0 40 BEAB Fc1ccc(N2C[C@H]3CCC[C@@H]3C2)nc1 283706538 DFYJRIGBUAKXKN-NXEZZACHSA-N 206.264 2.457 0 40 BEAB CC(C)OCCCS(=O)(=O)CC(C)(C)C 390833269 FKFWNFYPXGHXHM-UHFFFAOYSA-N 236.377 2.262 0 40 BEAB CC(C)n1ncc(Cl)c1-c1n[nH]c(=N)s1 408717709 PHUFDKFUMYKQBU-UHFFFAOYSA-N 243.723 2.048 0 40 BEAB Cc1nc(CN2[C@H]3C=CC[C@H]2CC3)co1 585380555 YTWAUBUOSCNJOS-RYUDHWBXSA-N 204.273 2.276 0 40 BEAB COC(=O)CCCc1cc(C)c(F)cc1N 1772715165 OPDWBYVYYOPGBV-UHFFFAOYSA-N 225.263 2.212 0 40 BEAB O=C(Nc1nccs1)c1cc(C2CC2)ncn1 1776009868 VKGUTIDOKWAKGU-UHFFFAOYSA-N 246.295 2.063 0 40 BEAB C[C@H]1CC[C@H](N=c2c(N)c[nH]c3ccoc23)C1 2362804273 CNKWAWYDPHADMI-IUCAKERBSA-N 231.299 2.432 0 40 BEAB NC(=O)C1(c2cccc(F)c2)CCCC1 343752 ZSVVGWIOZHKNII-UHFFFAOYSA-N 207.248 2.123 0 40 BEAB O=S1(=O)N=C(c2ccccc2)c2ccccc21 482060 YPLQGVAADBDXSF-UHFFFAOYSA-N 243.287 2.226 0 40 BEAB C[C@]1(NC(N)=O)Cc2cccc3cccc1c23 1661345 KYXBQJSDQINBIO-AWEZNQCLSA-N 226.279 2.279 0 40 BEAB Cc1cnn([C@@H](C)c2n[nH]c(=S)n2C2CC2)c1 2787825 HWOUXDIAEXABCW-QMMMGPOBSA-N 249.343 2.390 0 40 BEAB NNC(=S)Nc1ccc(SC(F)F)cc1 3885874 XBRSXLNWZPRQIP-UHFFFAOYSA-N 249.311 2.161 0 40 BEAB CCC1CCC2(CC1)N[C@H](C(=O)O)CS2 4855385 ZBZFJJPNXBZWPC-YUCVTWSNSA-N 229.345 2.073 0 40 BEAB c1ccc(CNC2=NCCCCC2)nc1 5932278 OOUVEISJHDIBKH-UHFFFAOYSA-N 203.289 2.144 0 40 BEAB CCc1c(C)[nH]c2c(OC)cccc2c1=O 6493543 NJAJGLHVUNLFFS-UHFFFAOYSA-N 217.268 2.408 0 40 BEAB O=C(Nc1noc2ncccc12)c1ccccc1 11694955 LAXUZAPNHJJAMC-UHFFFAOYSA-N 239.234 2.475 0 40 BEAB c1ccc(CCOCC2CCNCC2)cc1 12138210 NAAQXDUQJYALDH-UHFFFAOYSA-N 219.328 2.245 0 40 BEAB in-vitro CCNC(=O)c1cccc(C(F)(F)F)c1 13004767 IJWOQWBMJTZRIP-UHFFFAOYSA-N 217.190 2.455 0 40 BEAB Nc1cccc(CC(=O)NC2CCCCC2)c1 20155060 RLAAFILTYPYXOE-UHFFFAOYSA-N 232.327 2.260 0 40 BEAB COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1N 20155911 QYIXLWVSTAXQMR-JTQLQIEISA-N 248.326 2.150 0 40 BEAB Cc1ccc2nc(C)c3c(c2c1)O[C@H](CN)C3 24983769 PAADGCQBAKUTIP-JTQLQIEISA-N 228.295 2.114 0 40 BEAB Nc1ccc(NCc2ccco2)c(C(=O)O)c1 37930151 DXOMOYNFWKEXPH-UHFFFAOYSA-N 232.239 2.172 0 40 BEAB COc1ccc([C@H](O)c2ccoc2)c(OC)c1 40248123 IQBGXSJRLZUHHG-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB CCCN(CCC)C(=O)c1cc(C)no1 40472874 CRPMGLBERAOYFG-UHFFFAOYSA-N 210.277 2.245 0 40 BEAB CCOC(=O)NCC1(c2ccc(OC)cc2)CC1 41569497 NMXVIVIHWWIMRR-UHFFFAOYSA-N 249.310 2.473 0 40 BEAB C[C@@H](c1nc(C2CC2)no1)N1CCCC1 44974228 PYUPBRSOQFXKMS-QMMMGPOBSA-N 207.277 2.104 0 40 BEAB O=C(O)[C@H]1COc2ccc(Br)cc21 59540961 YWYNFOBRXXTNHA-ZETCQYMHSA-N 243.056 2.010 0 40 BEAB CCn1c(C(=O)O)cc2c(OC)c(OC)ccc21 67803006 SMVJDOPBXMDLEL-UHFFFAOYSA-N 249.266 2.377 0 40 BEAB CCCC[C@H](CC)CNC(=O)[C@H]1CCOC1 69311136 MHBDSUNABQRGHC-RYUDHWBXSA-N 227.348 2.356 0 40 BEAB CON(C)C(=O)c1ccccc1C(F)(F)F 69536450 RFCOFRJQQLVIGL-UHFFFAOYSA-N 233.189 2.339 0 40 BEAB CC(C)c1ccnc(Br)n1 72204604 FHNZBRIMNNSRKI-UHFFFAOYSA-N 201.067 2.363 0 40 BEAB CC(=O)N1CCN(C(C)C)[C@@H](c2ccccc2)C1 72366559 GRWKRYOMXMVRKK-OAHLLOKOSA-N 246.354 2.300 0 40 BEAB O=C(O)[C@H]1CCc2nc(-c3ccccc3)cn2C1 75923253 QSJWQYVPNXIPLW-NSHDSACASA-N 242.278 2.197 0 40 BEAB Cc1nccn1CCCNc1ccccn1 78333558 YTOXKMKCTSMPRU-UHFFFAOYSA-N 216.288 2.089 0 40 BEAB Nc1nc(C2CC2)ccc1Br 82965683 NMTBWBYPBJGKMK-UHFFFAOYSA-N 213.078 2.304 0 40 BEAB CCc1nc([C@H](C)NC(=O)C2CC2)cs1 83830248 SWOVKRXMAWXGQD-ZETCQYMHSA-N 224.329 2.293 0 40 BEAB C[C@@H]1CC[C@@H](C)N1C(=O)C1=CCCCO1 89922737 ZKZGUBTZAXCIJO-NXEZZACHSA-N 209.289 2.080 0 40 BEAB CC(C)[C@@H](O)CNC(=O)c1ccc(Cl)cc1 95418201 VEGZTCDFUSXLNZ-NSHDSACASA-N 241.718 2.087 0 40 BEAB CC(=O)OCCc1cc(F)c(F)c(F)c1 95729914 NVMBFLPBHFZDMU-UHFFFAOYSA-N 218.174 2.210 0 40 BEAB CC[C@@H](C(=O)O[C@H]1CCSC1)N(CC)CC 95943887 FNYOCSMXQZJFBE-QWRGUYRKSA-N 245.388 2.156 0 40 BEAB NCCCCc1cccc2c1OC(F)(F)O2 96171555 BJWZXIPOQTWDEJ-UHFFFAOYSA-N 229.226 2.290 0 40 BEAB Cc1ccc(F)cc1Cn1ccccc1=O 97856068 HPSLQMOESNYVHB-UHFFFAOYSA-N 217.243 2.344 0 40 BEAB O[C@@H]1c2ccccc2[C@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104054589 LYMXOOHQUGPBHH-GLIFJJLQSA-N 228.291 2.205 0 40 BEAB Brc1cccc(-c2cnon2)c1 166762916 RNNOMZYNLJORDZ-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB COc1ccc(NC(=O)C(C)(C)OC)cc1C 224022418 XREKMUARDGRVMK-UHFFFAOYSA-N 237.299 2.367 0 40 BEAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1C1CC1 247380362 JBLUXZWVKSRNJN-KBPBESRZSA-N 245.322 2.229 0 40 BEAB COC(=O)c1cc(F)cc(O)c1Br 306635568 DBEFCXFOQLCIHL-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB O=C(Cc1ccccc1Cl)N1CC(CF)C1 335207898 AQYHOSREDGTPSA-UHFFFAOYSA-N 241.693 2.310 0 40 BEAB CSCc1ccn([C@H]2CCCCO2)n1 1565505019 UAJHTRMMDVGMGV-SNVBAGLBSA-N 212.318 2.445 0 40 BEAB CN1[C@H]2CC[C@@H]1CC(NCCc1ccccc1)C2 27586 NIFBNIANYCOETB-MQVJKMGUSA-N 244.382 2.444 0 40 BEAB O[C@@H]1COc2ccc(Cl)cc2CSC1 2042763 OSXWSMBKKVLICS-SECBINFHSA-N 230.716 2.327 0 40 BEAB Cc1cccc(-c2nc(C)cc(NCCN)n2)c1 8731087 UUDCATQFIATRJJ-UHFFFAOYSA-N 242.326 2.131 0 40 BEAB O=Cc1ccc(-c2ccc(CC(=O)O)cc2)o1 8732340 QBLONCHSNNVLKL-UHFFFAOYSA-N 230.219 2.386 0 40 BEAB Cc1cccc(NC(=O)NC[C@@H]2CCCO2)c1 9254086 XZZBYHHMCAUWCG-LBPRGKRZSA-N 234.299 2.296 0 40 BEAB CC(=O)c1ccc(C(=O)NC(C)C)s1 12945374 JOWLHRFTXRPNOC-UHFFFAOYSA-N 211.286 2.089 0 40 BEAB Oc1n[nH]c2cc(F)cc(Br)c12 14983983 NRBMBUFFRQRNTF-UHFFFAOYSA-N 231.024 2.170 0 40 BEAB in-vitro CN(C)[C@H](CN)c1c(F)cccc1Cl 19796250 SVVYLOYYSIUYKJ-SECBINFHSA-N 216.687 2.041 0 40 BEAB Nc1cc(Cl)ccc1NC(=O)[C@@H]1CCCO1 20157182 QAKPYZOVYDUFHO-JTQLQIEISA-N 240.690 2.040 0 40 BEAB CCN(CC)C(=O)c1ccc(C)c(N)c1 20194851 KYYVUWPYINBBCI-UHFFFAOYSA-N 206.289 2.059 0 40 BEAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 21787332 GZSLMVKWOQNHHM-GFCCVEGCSA-N 229.283 2.246 0 40 BEAB CN(C[C@@H]1CCCNC1)C1CCCCC1 21949813 ZOKLSRZQDQHBTI-GFCCVEGCSA-N 210.365 2.251 0 40 BEAB CCn1nccc1CN(C)C(=O)C1CCCC1 28219226 PHNDHMCPCLCYFR-UHFFFAOYSA-N 235.331 2.052 0 40 BEAB CN(c1ccc(C(N)=O)cc1N)C1CCCCC1 35059328 OTAZRCVKFSTTNS-UHFFFAOYSA-N 247.342 2.137 0 40 BEAB CCC(C)(C)OC[C@H](O)CN1CCC[C@H](C)C1 35354117 STCBZPONCVZIMZ-QWHCGFSZSA-N 243.391 2.284 0 40 BEAB CCc1cc(C(=O)NC(C)C)c2c(C)noc2n1 36621600 PWTXTEGUWYUXJE-UHFFFAOYSA-N 247.298 2.232 0 40 BEAB CCc1c(-c2ccc3c(c2)OCCO3)noc1N 36916508 PDBSYGMURLIQFF-UHFFFAOYSA-N 246.266 2.257 0 40 BEAB FC(F)(F)Oc1ccc2c(c1)CNCC2 38539978 YPMOCMPUZNOIHK-UHFFFAOYSA-N 217.190 2.231 0 40 BEAB CC(C)(C)NC[C@@H](O)c1cccc(O)c1Cl 39233495 DLLAFIBSOHRYIT-SNVBAGLBSA-N 243.734 2.467 0 40 BEAB CCOC(=O)c1c[nH]c2cc(CC)ccc2c1=O 39298191 WKXFRVQZQAOGPX-UHFFFAOYSA-N 245.278 2.267 0 40 BEAB OCCc1ccc(C(F)(F)F)cc1F 39713000 ZZPFABXJRPFKOI-UHFFFAOYSA-N 208.154 2.379 0 40 BEAB O=C(Nc1ccc2cn[nH]c2c1)c1cscn1 41506862 NPZOZOAQJMELQJ-UHFFFAOYSA-N 244.279 2.272 0 40 BEAB COCC(=O)c1ccc(Cl)c(OC)c1 43504742 QRFHUVXKKXXXSN-UHFFFAOYSA-N 214.648 2.178 0 40 BEAB COc1cc2c(cc1OC)NC(=O)CC=C2 55168178 YTWRHEOCQXFMPV-UHFFFAOYSA-N 219.240 2.059 0 40 BEAB CC(C)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 65574986 YNHAIYCQZLYPAE-UHFFFAOYSA-N 247.273 2.354 0 40 BEAB COc1ccc2nc(Br)ncc2c1 67172086 QJSIKFRKDUKCFB-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB Cc1nc2c(F)cccc2cc1C(=O)O 68135114 VKTIQXPESMYOLI-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Oc1cccc(-n2ccnc2)c1 71915237 DXBMGLIRXIOWLC-ZWNOBZJWSA-N 242.278 2.434 0 40 BEAB Cc1nc(C)c(C(=O)N2CCc3ccccc32)o1 74675665 FAVAQXIPTCTPAX-UHFFFAOYSA-N 242.278 2.494 0 40 BEAB Cc1ncccc1C(=O)OC[C@@H]1CCCCO1 78797097 WWWSTDHVRYEETP-NSHDSACASA-N 235.283 2.116 0 40 BEAB CC(C)(C)SCCOC(=O)c1cnsn1 79037287 ABEYKIFCCNRCLE-UHFFFAOYSA-N 246.357 2.227 0 40 BEAB Cc1cc2nc(Br)cnc2[nH]1 83411250 GQYLZUNWOJNSRY-UHFFFAOYSA-N 212.050 2.029 0 40 BEAB CCc1nc(CC)n(Cc2nc(C)cs2)n1 83830367 LHTBXRVLWMLERP-UHFFFAOYSA-N 236.344 2.216 0 40 BEAB CCc1nsc(SCc2cnn(C)c2)n1 83830543 KZWOLLFHOCKGEB-UHFFFAOYSA-N 240.357 2.126 0 40 BEAB CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 84017005 ODEQFOQBTWSUGK-UHFFFAOYSA-N 229.283 2.448 0 40 BEAB FC(F)(F)C(F)(F)OC[C@H]1CCCCN1 91252393 QGDSZTUSQIBDIM-ZCFIWIBFSA-N 233.180 2.300 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1=O 95090619 WTHLCGOZBTXTTE-DTORHVGOSA-N 227.304 2.078 0 40 BEAB in-vitro Cc1ccc([C@H]2CC(=O)c3cn[nH]c3C2)o1 95117734 YHSIPSHDHQIXJZ-MRVPVSSYSA-N 216.240 2.224 0 40 BEAB Cc1cccc(NC(=O)N2CCCO2)c1C 95942357 VBEHIHNRJLRIIF-UHFFFAOYSA-N 220.272 2.473 0 40 BEAB Cc1cc(C(=O)OC2CCOCC2)c(C)o1 97032019 PNKDRUOXAQKPKP-UHFFFAOYSA-N 224.256 2.232 0 40 BEAB C[C@@H]1C[C@@H]1CN(C)CCc1nccs1 97105597 BSEGEYZFKXXRSQ-NXEZZACHSA-N 210.346 2.273 0 40 BEAB CCn1nccc1CCOC(=O)c1ccoc1C 195577882 ZMBIWUBQIYFKFE-UHFFFAOYSA-N 248.282 2.204 0 40 BEAB COC(=O)[C@]1(C)CC[C@@](C)(C(=O)O)C1(C)C 217719855 HGTOFGDHNFUVAG-RYUDHWBXSA-N 228.288 2.077 0 40 BEAB COc1ccccc1N[C@H]1CCCC[C@H]1N 218858074 HKMJGMFSZBIRSZ-MNOVXSKESA-N 220.316 2.377 0 40 BEAB CCN(CC)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 222378643 DWARVNWIBRHVMQ-JTQLQIEISA-N 249.310 2.328 0 40 BEAB in-vitro C[C@@H](C(=O)O)N(C)c1cccc(Cl)c1 224988018 RBYNTQXIUQYENM-ZETCQYMHSA-N 213.664 2.249 0 40 BEAB Cc1ccnc(NC(=S)NCCC(C)C)n1 225174911 RAVLEKXJEDKVCR-UHFFFAOYSA-N 238.360 2.118 0 40 BEAB Cn1nccc1NC(=O)Nc1ccsc1 225551590 JDXQCGNLEUFUDE-UHFFFAOYSA-N 222.273 2.126 0 40 BEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1O2 252584777 CVDQDQYMGSDCEG-DHRKEOQWSA-N 249.354 2.106 0 40 BEAB CO[C@@H](C)CN1CCn2c(cc3ccccc32)C1 336029878 BXDXPCKOGXSDRO-LBPRGKRZSA-N 244.338 2.492 0 40 BEAB COCC(C)(C)CN[C@@H]1CSC1(C)C 336646029 CJNWGBOOXKKGKT-SECBINFHSA-N 217.378 2.143 0 40 BEAB CC[C@H](C)OCc1ccn(CC(F)F)n1 408715495 SVCVSBHVPUMDOH-QMMMGPOBSA-N 218.247 2.463 0 40 BEAB O=C(NC[C@@]1(O)C=CCCC1)Nc1ccccc1 585146627 LSJZBIYZZZIXGH-CQSZACIVSA-N 246.310 2.279 0 40 BEAB COc1cc(C(Cl)(Cl)Cl)[nH]n1 1775970000 WVAREHNUCWPCFA-UHFFFAOYSA-N 215.467 2.245 0 40 BEAB NC(=O)c1cc(-c2ccc(Cl)cc2)no1 266254 KQLIJGIESCFZJH-UHFFFAOYSA-N 222.631 2.094 0 40 BEAB CCCCCNS(=O)(=O)c1ccc(C)cc1 1599000 DZTRTXFIVUJZAU-UHFFFAOYSA-N 241.356 2.464 0 40 BEAB COC(=O)[C@@H]1O[C@]1(C)c1ccc(Cl)cc1 1696004 WOLWRWLLWNBPRS-GXSJLCMTSA-N 226.659 2.127 0 40 BEAB CCCN1CCN(c2ccccc2)CC1 1734479 SLEQRFMTAWGXRG-UHFFFAOYSA-N 204.317 2.219 0 40 BEAB O=Cc1ccccc1OC[C@H]1CCCO1 4384261 ITNCGWPNAUAGTM-LLVKDONJSA-N 206.241 2.057 0 40 BEAB in-vitro Cc1cc(-c2nc(-c3ccccc3)no2)n[nH]1 8793588 PRLJBSBDWIIPQE-UHFFFAOYSA-N 226.239 2.435 0 40 BEAB COc1cc(OC)c(C2=CCNCC2)c(OC)c1 9579603 VJPGTKHRGMLAEE-UHFFFAOYSA-N 249.310 2.089 0 40 BEAB NCCCC(=O)Nc1ccc(Cl)cc1 11755368 FYTIHVSIYKYHKP-UHFFFAOYSA-N 212.680 2.017 0 40 BEAB in-vitro COc1ccc(C(=O)N2CCC[C@@H](C)C2)c(O)c1 12913390 JMWVXVGJMYPIFO-SNVBAGLBSA-N 249.310 2.273 0 40 BEAB O=C(O)Cc1ccc(NC(=O)C2CCCC2)cc1 13439621 MPPDXMQNPWWCGS-UHFFFAOYSA-N 247.294 2.442 0 40 BEAB COc1ccc(C)cc1C1CCNCC1 14629035 SMLROJDDXPWALC-UHFFFAOYSA-N 205.301 2.471 0 40 BEAB in-vitro CCOCCOc1c(N)cccc1Cl 14629196 CCKMPCVBIDIVIG-UHFFFAOYSA-N 215.680 2.338 0 40 BEAB in-vitro CC(C)CC(=O)NC[C@H](c1ccco1)N(C)C 15831498 PNPAHZSWXVPEKM-LLVKDONJSA-N 238.331 2.045 0 40 BEAB CC(C)Oc1ncc(C(=O)O)cc1Cl 19404824 PZDIVDDFLGKWID-UHFFFAOYSA-N 215.636 2.220 0 40 BEAB in-vitro N[C@@H](CC(=O)N1CCCCCC1)c1ccccc1 19506886 WPRJDNWVJHFNKE-AWEZNQCLSA-N 246.354 2.479 0 40 BEAB O=C(O)[C@@H]1CCOc2ccc(Cl)cc21 26479654 KDOXMLTXESQYSR-SSDOTTSWSA-N 212.632 2.291 0 40 BEAB NC(=S)Nc1c(Cl)ccc2nsnc12 26893813 HDSZYIYKDOIGFC-UHFFFAOYSA-N 244.732 2.000 0 40 BEAB in-vitro Cn1ccc(NC(=O)C(C)(C)c2ccccc2)n1 32903496 RQMOXBGWWUYXCX-UHFFFAOYSA-N 243.310 2.336 0 40 BEAB CC(C)(C)C(=O)CSc1nnc2ccccn12 32945195 YCMOCTPUFWOTKU-UHFFFAOYSA-N 249.339 2.437 0 40 BEAB C[C@]1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1 34924350 FERMSOSSTIVNLH-LLVKDONJSA-N 239.658 2.308 0 40 BEAB Cc1cc2nc(N3CCNCC3)sc2cc1C 34936037 ZZSILWQFEVWCRQ-UHFFFAOYSA-N 247.367 2.323 0 40 BEAB Nc1nc(Cl)cc(OCc2ccccc2)n1 38540668 LFDDHABRCWHVEF-UHFFFAOYSA-N 235.674 2.291 0 40 BEAB CCN(CC)[C@@H](CN)c1ccc(F)cc1 38808973 APQKMJFBSXTSDZ-LBPRGKRZSA-N 210.296 2.167 0 40 BEAB C[C@@H](CO)NC(=O)Nc1cccc2c1CCCC2 40526147 NLGKKKJEQDPJSY-JTQLQIEISA-N 248.326 2.068 0 40 BEAB CC(=O)c1ccc(O[C@H]2CCCNC2)cc1 42775782 AXJYXYASGXNTSS-ZDUSSCGKSA-N 219.284 2.020 0 40 BEAB CC(C)CCN(CC(=O)NC(C)C)C1CC1 45751710 LFGLWAUQZXRVOP-UHFFFAOYSA-N 226.364 2.022 0 40 BEAB Cc1ccc(CNC(=O)C2CCCC2)cn1 49196166 WADJJUYQXJOKSQ-UHFFFAOYSA-N 218.300 2.196 0 40 BEAB CCc1ccccc1NC(=O)N[C@@H](C)COC 58282906 PQRVENRIFPBSBO-JTQLQIEISA-N 236.315 2.405 0 40 BEAB COc1cccnc1NC(=O)Cc1cccs1 60365854 WLGFJCABMAIWAJ-UHFFFAOYSA-N 248.307 2.333 0 40 BEAB NC(=O)CCC12CC3CC(CC(C3)C1)C2 64864633 INDGPLUHGHLXKQ-UHFFFAOYSA-N 207.317 2.468 0 40 BEAB C[C@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 65588434 GCIQHIQUPIODHG-JTQLQIEISA-N 236.290 2.106 0 40 BEAB Cc1cc(C)c(NC(=O)C(C)C)c(N)c1 70462804 MIVFQCPGYMJBHJ-UHFFFAOYSA-N 206.289 2.480 0 40 BEAB COc1ccncc1NC(=O)CCC(C)C 72051322 ILASOKLDRILGKC-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB CCOc1ncccc1C1=NCCCC1 72211850 YNAPPPGRQFJXFY-UHFFFAOYSA-N 204.273 2.453 0 40 BEAB CCN(C)c1ncccc1[C@H]1CCCCN1 72212789 VSDKTIDMPTZMLV-GFCCVEGCSA-N 219.332 2.352 0 40 BEAB Cc1nc(O)ccc1[C@H]1CCCCN1C 72218215 OCWOREFOOKJVKG-LLVKDONJSA-N 206.289 2.252 0 40 BEAB CC(C)(C)[C@H]1CCc2nc(N)ncc2C1 75606788 NRRCYDPROOLRBJ-VIFPVBQESA-N 205.305 2.210 0 40 BEAB in-vitro O=C(/C=C/c1ccc(F)cc1)O[C@@H]1CCOC1 78612259 NIWVXTOQKJEUMV-MJRJWQSSSA-N 236.242 2.171 0 40 BEAB CC1CCN(C(=O)[C@@H]2CCCS2)CC1 82301702 JVWPCHSCPLCQHO-JTQLQIEISA-N 213.346 2.141 0 40 BEAB CC(C)c1ccc([C@H]2OC(=O)C[C@H]2C(=O)O)cc1 85394524 CTTGIKLEURGRPQ-DGCLKSJQSA-N 248.278 2.499 0 40 BEAB CCCn1cc(CNc2nnc(C(C)C)o2)cn1 95992307 UQZNJJUDUJWAHX-UHFFFAOYSA-N 249.318 2.412 0 40 BEAB COc1ccc(OC(=O)[C@@H]2C[C@H]2C)cc1OC 96442984 KDZZEDKSRRAHHO-PSASIEDQSA-N 236.267 2.265 0 40 BEAB C[C@@H]1CCNc2nc(C(F)(F)F)nc(O)c21 96517536 FXENXOFXBHBPBQ-SCSAIBSYSA-N 233.193 2.120 0 40 BEAB CCN(CC)CCN[C@@H]1CCC[C@H](C)C1 97050799 GKBWQQSWLKFEGV-QWHCGFSZSA-N 212.381 2.497 0 40 BEAB O=C(O)CC1(c2cccc(F)c2)CCOCC1 98213968 NVOVDPKGTJJYTP-UHFFFAOYSA-N 238.258 2.349 0 40 BEAB COC(=O)CCCC(=O)c1ccc2c(c1)CCO2 144591714 QSPCWSIQDLSVAJ-UHFFFAOYSA-N 248.278 2.148 0 40 BEAB Nc1c(C2CC2)cnn1-c1ccc(F)cc1 215595594 BZIWUWRSTGNYSS-UHFFFAOYSA-N 217.247 2.471 0 40 BEAB O=C(c1ccc2[nH]c(Cl)nc2c1)N1CCCC1 222565847 YRLMTVRTDMPZAO-UHFFFAOYSA-N 249.701 2.452 0 40 BEAB Fc1ccccc1COc1cnccn1 230828665 WJMSXDPLESKDQP-UHFFFAOYSA-N 204.204 2.195 0 40 BEAB Cn1ccc(NCc2cnn(C3CCCC3)c2)n1 256055006 YTRZGRXWKXOTPP-UHFFFAOYSA-N 245.330 2.344 0 40 BEAB CC(C)(C)OC(=O)N[C@]1(C)CCCC(=O)C1 306337055 TUVHCADSKJLFIX-GFCCVEGCSA-N 227.304 2.413 0 40 BEAB CCn1nncc1CNC1CCC2(CC1)CC2 418030852 KDCILJNLVPBGQG-UHFFFAOYSA-N 234.347 2.110 0 40 BEAB NCCNc1ccc2c3c(cccc13)CC2 575423227 LIUCVUKUGXMHRZ-UHFFFAOYSA-N 212.296 2.309 0 40 BEAB CC(C)(C)C(=O)N=c1cc[nH]cc1C(F)F 575629099 JESITVSMTMLRJG-UHFFFAOYSA-N 228.242 2.426 0 40 BEAB Cc1nc(O[C@H]2CN3CCC2CC3)sc1C 585651360 CXINBTLXBIESIL-NSHDSACASA-N 238.356 2.233 0 40 BEAB Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2O)s1 708665149 MXSHJBALIAEDRG-ZJUUUORDSA-N 239.340 2.042 0 40 BEAB C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1 242385 DBOHWMPKJCJANT-UHFFFAOYSA-O 212.272 2.387 0 40 BEAB Cc1ccc(N2C(=O)OC(C)(C)[C@@]2(C)O)cc1 1022907 KEPHSPWZQCKIMB-CYBMUJFWSA-N 235.283 2.439 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@H](O)C1CCCC1 1746932 WATXZLVPCPBXBW-QWHCGFSZSA-N 234.295 2.406 0 40 BEAB COC1=CC(=O)O[C@@H](c2ccc(OC)cc2)C1 2045838 SRIUDLJQIGIDLG-GFCCVEGCSA-N 234.251 2.214 0 40 BEAB CCOCC(=O)Nc1ccc(CC)cc1 5928572 MIASZFWYYQUROK-UHFFFAOYSA-N 207.273 2.224 0 40 BEAB CCS(=O)(=O)Nc1ccc(Cl)cc1F 6048791 OGPLWFYEABZFJR-UHFFFAOYSA-N 237.683 2.241 0 40 BEAB CC(C)(C)c1nc(C=O)c2ccccn12 6855540 GSDNVLUZYZUEAD-UHFFFAOYSA-N 202.257 2.444 0 40 BEAB Oc1ccccc1/C=C\c1csnn1 8653113 IRINIQUVJSCSIQ-WAYWQWQTSA-N 204.254 2.414 0 40 BEAB CC(C)c1c(C(=O)O)nnn1-c1ccc(F)cc1 11888050 DDNJDQLCHCEWIP-UHFFFAOYSA-N 249.245 2.228 0 40 BEAB in-vitro CCOC(=O)[C@@H](CC)n1cc(Cl)c(C)n1 12398486 WFNKWJRRRYFCHD-SECBINFHSA-N 230.695 2.359 0 40 BEAB CC(=O)N[C@@H](C(=O)Nc1ccc(C)cc1)C(C)C 13016019 NMXNEMDWFHKYBE-CYBMUJFWSA-N 248.326 2.094 0 40 BEAB CCc1c(O)nc(-c2ccc(C)cc2)oc1=O 16161164 SAFFXHJLFPXUEX-UHFFFAOYSA-N 231.251 2.278 0 40 BEAB Clc1ccccc1NCCN1CCOCC1 20052085 GYOPGWDIAZHFQJ-UHFFFAOYSA-N 240.734 2.084 0 40 BEAB C[C@@H](Nc1ccc2nncn2n1)c1ccccc1 20730093 MZJWHOKJUQBVSF-SNVBAGLBSA-N 239.282 2.297 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1CN(C)C 24809716 JWAIKRXJJRYWQJ-ZYHUDNBSSA-N 232.327 2.343 0 40 BEAB CCOC(=O)CCc1cccc(OC)c1 32171135 JKUZROGLCCUHCK-UHFFFAOYSA-N 208.257 2.191 0 40 BEAB c1cc(OC[C@@H]2CO2)c2ccncc2c1 33966320 HQMJNOFHNIQORU-JTQLQIEISA-N 201.225 2.012 0 40 BEAB CC(C)CS(=O)(=O)c1ccc(F)cc1 34265331 RXMGYDJIKHTLHU-UHFFFAOYSA-N 216.277 2.255 0 40 BEAB Cc1cc(NC(=O)NC2CCCCC2)nn1C 35670906 APUOREQBUZXVEO-UHFFFAOYSA-N 236.319 2.183 0 40 BEAB Cc1c(N)n[nH]c1-c1cc(F)ccc1F 36936101 LMRAHLAEXMGSIS-UHFFFAOYSA-N 209.199 2.246 0 40 BEAB COC[C@@H](C)NC(=O)/C=C/c1cccc(C)c1 40161024 MBFQFDNIHYBWHT-ABZNLYFFSA-N 233.311 2.159 0 40 BEAB Cc1ccnc(NC(=O)c2ccccn2)c1 40384033 PONBMLPGDXRWTL-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCc1ccc(CNC(=O)[C@H]2CCCO2)s1 40535691 MVUMHBKALYHJHK-LLVKDONJSA-N 239.340 2.106 0 40 BEAB CC(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 41194525 LVCWKYWVXUOHQZ-NWDGAFQWSA-N 225.332 2.203 0 40 BEAB Brc1cn2ccnc2c(C2CC2)n1 44120667 ACDLNFVEFXZOQQ-UHFFFAOYSA-N 238.088 2.369 0 40 BEAB COc1ccccc1-c1noc(-c2ccn[nH]2)n1 45894551 JYAAYVGEHGSMRU-UHFFFAOYSA-N 242.238 2.135 0 40 BEAB c1ccc2nc(COC[C@@H]3CCNC3)ccc2c1 51888094 SBLYIGABGGJMTC-GFCCVEGCSA-N 242.322 2.361 0 40 BEAB NCCc1c[nH]c(Cc2ccc(Cl)cc2)n1 62716577 HETONVQZNWUVKB-UHFFFAOYSA-N 235.718 2.155 0 40 BEAB COc1ncccc1[C@@H]1CCCCN1C 72211734 XVTVWKGBYRLWLE-NSHDSACASA-N 206.289 2.247 0 40 BEAB CCOc1cc(O)c(C=O)cc1Br 72219736 PWYAZNCTWAVJDP-UHFFFAOYSA-N 245.072 2.366 0 40 BEAB Cc1nc(N2CCCCC2)ccc1[C@@H](C)O 72224544 BYBMEDUDPXTFNO-LLVKDONJSA-N 220.316 2.434 0 40 BEAB CCn1nccc1NC(=O)[C@@H]1CC=CCC1 72242247 HRDUKYXZLSZDBD-SNVBAGLBSA-N 219.288 2.198 0 40 BEAB CC(C)n1cc(CNCc2ccco2)cn1 73739575 VOWFUDZSXQMOBI-UHFFFAOYSA-N 219.288 2.347 0 40 BEAB CCCc1c(C=O)cc(C(C)=O)n1CC 78404407 AKYJLLFBIKPIOQ-UHFFFAOYSA-N 207.273 2.476 0 40 BEAB CC[C@@H](C)C(=O)NCCc1sc(C)nc1C 78571251 QFVLBEJMKVDEGF-MRVPVSSYSA-N 240.372 2.465 0 40 BEAB N[C@@H](Cc1ccccc1)c1nc(C(=O)O)cs1 82696294 HTVSZMAVIXPQEO-VIFPVBQESA-N 248.307 2.084 0 40 BEAB Cn1cc(C2CCNCC2)c2cc(O)ccc21 83328300 JEQZXYIGHZIMKD-UHFFFAOYSA-N 230.311 2.351 0 40 BEAB COc1cc(OC)c2c(c1)[C@H](C)CC2=O 85223659 ZMSPOUREAWGXSO-SSDOTTSWSA-N 206.241 2.394 0 40 BEAB Cc1ccccc1Cn1cccc1CN 85581569 UWWLJAZAPUJEJC-UHFFFAOYSA-N 200.285 2.304 0 40 BEAB COc1ccnc(NC(=O)CCC(C)C)c1 89987078 RAUFPXQVZIBTFK-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB COc1ccc2c(c1)c(Br)nn2C 95930242 GAACIBBQJSMZMD-UHFFFAOYSA-N 241.088 2.344 0 40 BEAB CC(C)(C)OCCN1CCC[C@H]1C(C)(C)O 95978835 JSLGENZVILOKGI-NSHDSACASA-N 229.364 2.037 0 40 BEAB C[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(N)=O 96492349 FJKYFTDBGHQDKQ-BQBZGAKWSA-N 244.697 2.004 0 40 BEAB CCCc1cnc(NCc2ccnn2C)s1 97114525 KNOGDMGMHWAVHG-UHFFFAOYSA-N 236.344 2.441 0 40 BEAB O=C(OCc1cncs1)c1cncc(F)c1 97138936 YFJGEJKPTJAQPN-UHFFFAOYSA-N 238.243 2.034 0 40 BEAB CCCNC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100770975 SSBRZLQUFVASLA-KBPBESRZSA-N 237.343 2.298 0 40 BEAB OC[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 101544007 WJEZASBTWYDHPJ-RVMXOQNASA-N 233.311 2.115 0 40 BEAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1[C@@H](F)C(=O)C2 101721101 YYCAGVRICFXYHB-NQMVMOMDSA-N 243.278 2.065 0 40 BEAB CCC(=O)OCC(F)(F)C(F)(F)F 169270036 UPDLMGGHEKXASR-UHFFFAOYSA-N 206.110 2.137 0 40 BEAB Cc1nccc(N2CCCC[C@H]2c2cn[nH]c2)n1 195571347 OYONPRZLJFRHHT-LBPRGKRZSA-N 243.314 2.240 0 40 BEAB Cc1ccc(-c2nnc(N)o2)c(Cl)c1 216745774 SGTCPMPEBSFRFE-UHFFFAOYSA-N 209.636 2.281 0 40 BEAB CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1CN 218842804 OTKKWUPZYUSFQX-ILDUYXDCSA-N 240.347 2.123 0 40 BEAB COCCCN(Cc1ccccc1)C(C)=O 225447748 FOLCADWZOFBKEK-UHFFFAOYSA-N 221.300 2.072 0 40 BEAB Cc1c(CNc2cnn(C)c2)cnn1C(C)C 256052666 OFXKTUFPYAWBPQ-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccnc1 260897407 INCQWLCAGQRTMV-NHCYSSNCSA-N 216.284 2.000 0 40 BEAB COC(=O)C1CCC2(CCC(N)CC2)CC1 261262173 LGHUJISUSACSGL-UHFFFAOYSA-N 225.332 2.237 0 40 BEAB C=Cc1ccccc1OCC(=O)NCCC 521396171 IBVVUAXVNVSORA-UHFFFAOYSA-N 219.284 2.235 0 40 BEAB Cc1cc(NC(=O)Cn2cncc2C)cs1 634422431 BVLQOHSVGDPBGG-UHFFFAOYSA-N 235.312 2.200 0 40 BEAB FC1(F)CCN(CC2CCOCC2)CC1 793359411 LZSRUGKCUYURTQ-UHFFFAOYSA-N 219.275 2.144 0 40 BEAB CCOC(=O)C=CC1CCC2(CC1)OCCO2 1857622467 LBCIUUCNJXGWHX-UHFFFAOYSA-N 240.299 2.039 0 40 BEAB O=C(Nc1nncs1)c1ccc(Cl)cc1 51965 YBADEBGCUDYUSK-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CC(C)COc1ccc(CNC(N)=S)cc1 551916 NUQHOQOFFJNITC-UHFFFAOYSA-N 238.356 2.055 0 40 BEAB COc1cccc(NC(=O)C(F)(F)F)c1 3093865 TZCQPHOSHKXEQV-UHFFFAOYSA-N 219.162 2.196 0 40 BEAB in-vitro CC1=C[C@H](c2ccccc2F)n2ncnc2N1 4124486 ATHBHWXZVZIRJS-LLVKDONJSA-N 230.246 2.336 0 40 BEAB CCSc1nnc([C@H](N)Cc2ccccc2)o1 4992557 XFKKBHQXKGVWHM-SNVBAGLBSA-N 249.339 2.424 0 40 BEAB CCC[C@H](N)c1ccc2c(c1)OCCO2 4992677 JRFXYFYLZIFOQP-JTQLQIEISA-N 207.273 2.258 0 40 BEAB C[C@H]1C[C@@H]2C[C@H](C(=O)O)C(C)(C)[C@]2(C(=O)O)C1 5029109 OACUAIIJUUAESB-XHGVETGHSA-N 240.299 2.234 0 40 BEAB CCCCCCNc1ncc(C=O)cn1 8730920 XZHAWPKMNJXKTI-UHFFFAOYSA-N 207.277 2.281 0 40 BEAB CCn1nccc1NC(=O)c1ccccc1C 12111616 NAMNUOSKVLDWRF-UHFFFAOYSA-N 229.283 2.464 0 40 BEAB Cc1cc(C)c(NC(=O)C2=COCCO2)c(C)c1 12903909 ZENUXNRIRYLTMC-UHFFFAOYSA-N 247.294 2.439 0 40 BEAB CC(C)CNc1c(N)c(=O)oc2ccccc12 13879238 JYJUAOUFEZVSQN-UHFFFAOYSA-N 232.283 2.443 0 40 BEAB Brc1ccc([C@@H]2CNCCO2)cc1 20269163 IWMSBXAXPYFDAE-JTQLQIEISA-N 242.116 2.110 0 40 BEAB CC[C@H]1CCCCN1C[C@@H]1CCCNC1 20270229 YKMPYOXSVIFYBL-OLZOCXBDSA-N 210.365 2.251 0 40 BEAB Cc1ccc(NC(=O)c2ccncc2N)cc1 22073249 AVQCOHNJKNJDJM-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CC(=O)c1ccc(NC(=O)C2CCOCC2)cc1 24002676 CGMDQCZRDPMXKY-UHFFFAOYSA-N 247.294 2.254 0 40 BEAB Cc1cnc(C(=O)N(C)[C@@H](C)C(C)(C)C)cn1 32788185 USMPOWLCVQMSPV-JTQLQIEISA-N 235.331 2.292 0 40 BEAB C/C(C(=O)O)=C(\C)C(=O)N[C@H](C)c1ccccc1 33420914 VRGHGJHVODNOLL-DWOQACPDSA-N 247.294 2.285 0 40 BEAB Nc1ccc(F)c(C(=O)N2CCCCCC2)c1 35651247 YUVABIMESSBNOY-UHFFFAOYSA-N 236.290 2.424 0 40 BEAB Cc1cc(C(=O)N2CCOc3ccccc32)on1 36763886 JMJPMOMBGCMWCX-UHFFFAOYSA-N 244.250 2.022 0 40 BEAB COc1ccc(C(=O)CCC(=O)O)c(Cl)c1 36767444 HBKJAIYXCUJBOC-UHFFFAOYSA-N 242.658 2.396 0 40 BEAB O=C(O)c1cc(Cl)ccc1-n1cccn1 40449006 MPTICYRNZNKGSR-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB Cc1ccc(CCC(=O)N2CCOC[C@H]2C)cc1 40669205 REOXEUCAPWWUAB-CYBMUJFWSA-N 247.338 2.175 0 40 BEAB CNC(=O)CSCc1ccc(Cl)cc1 41103870 BAGJHTVFOHBXRI-UHFFFAOYSA-N 229.732 2.319 0 40 BEAB CCOC(=O)c1c[nH]c2ccc(OC)cc12 44200253 JCFBDEMCPUONPI-UHFFFAOYSA-N 219.240 2.353 0 40 BEAB COC(=O)c1cc2oc(Br)cc2[nH]1 49453419 SQJIVTFALTUOBG-UHFFFAOYSA-N 244.044 2.310 0 40 BEAB COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C=O 49850851 XGHYOLDOFLWAHM-SSDOTTSWSA-N 242.658 2.093 0 40 BEAB c1cnc(N[C@@H]2CCOc3ccccc32)nc1 52076652 IKPJGKJNSRHHTE-LLVKDONJSA-N 227.267 2.412 0 40 BEAB CN(C)CC(C)(C)CN[C@H]1CCCSC1 61570870 OMWVPYKKXRQPQP-NSHDSACASA-N 230.421 2.059 0 40 BEAB OC1(Cc2ccc(F)cc2F)CCOCC1 63076843 ZXAVKRCBHVNISA-UHFFFAOYSA-N 228.238 2.049 0 40 BEAB COCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 69484202 BPUFVZICOZFJRG-GFCCVEGCSA-N 249.310 2.199 0 40 BEAB CC[C@H](OC)c1ccc(CC(=O)OC)cc1 72220175 KOLXSNZTPZZQOL-LBPRGKRZSA-N 222.284 2.500 0 40 BEAB CCCN(CCC)c1ncc(CN)cc1C 72222244 XAOAYIDFADRGJX-UHFFFAOYSA-N 221.348 2.475 0 40 BEAB C[C@H](CCO)Nc1cncc(Br)c1 78294781 LTOMTGKZPRHEHT-SSDOTTSWSA-N 245.120 2.027 0 40 BEAB CSc1ccc(CN(CCN)C2CC2)cc1 79420467 YLEWDXUYGNZVEP-UHFFFAOYSA-N 236.384 2.332 0 40 BEAB CCOc1ccc(CCO)cc1Cl 82531400 QECUPKCVLSDAHK-UHFFFAOYSA-N 200.665 2.274 0 40 BEAB CNC(=O)c1sccc1SC(F)F 89391689 HDBJKFSHLIFFFM-UHFFFAOYSA-N 223.269 2.422 0 40 BEAB Cc1cnc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cn1 89702219 CTHXAURJHWXPAZ-TXEJJXNPSA-N 245.326 2.047 0 40 BEAB CCOC(=O)[C@@H](C)Cc1ccc(O)c(F)c1 91297427 ZAGOMRAXNFCQIK-QMMMGPOBSA-N 226.247 2.273 0 40 BEAB Cc1n[nH]cc1CN[C@@H]1CC(C)(C)OC1(C)C 94423999 QKIJITJDSRFGLW-LLVKDONJSA-N 237.347 2.154 0 40 BEAB O=C(NC[C@@H]1CO1)c1ccc(Cl)c(Cl)c1 95096918 FTQFTWQXQLTUQR-SSDOTTSWSA-N 246.093 2.122 0 40 BEAB CC(=O)c1cc2c(cc1C)OCCCO2 96295111 IOEUSKOJOKJCKH-UHFFFAOYSA-N 206.241 2.359 0 40 BEAB CCO[C@H](CC)C(=O)Nc1ccc(O)cc1F 97098044 AZYXRFQZTNERGD-LLVKDONJSA-N 241.262 2.285 0 40 BEAB Clc1cc2ncc(Br)n2cn1 98179772 QAOZXHVRFPJXPF-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106135330 RNAROLDWUKTJRO-OCCSQVGLSA-N 246.354 2.348 0 40 BEAB NC[C@@H](F)c1ccccc1Br 107260817 PSILMZYIDXSKAA-MRVPVSSYSA-N 218.069 2.418 0 40 BEAB CCOC(=O)[C@@H](C)C1CCC2(CC1)OCCO2 115445389 DWRLLLQZGGECMA-JTQLQIEISA-N 242.315 2.119 0 40 BEAB O=C1CC2(C1)CC(C(=O)OCc1ccccc1)C2 215619789 JVTBEJJGKUTHQW-UHFFFAOYSA-N 244.290 2.489 0 40 BEAB Cc1ncncc1-c1nc(-c2ccco2)no1 216622390 ABWXCLOYAIQXTA-UHFFFAOYSA-N 228.211 2.095 0 40 BEAB CCCNC(=O)N[C@@H](C)COc1ccccc1 225775608 XDJHRBUAYJKZAJ-NSHDSACASA-N 236.315 2.163 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@H](C)[C@@H](C)[C@H]21 252527497 CRSCRJHTAPGPGQ-JCIQBVFBSA-N 226.316 2.389 0 40 BEAB c1ccc(Nc2cncc([C@@H]3CCCN3)n2)nc1 257281151 ONWDVYKWRPVFAU-JTQLQIEISA-N 241.298 2.040 0 40 BEAB O=C(Nc1cccc(F)c1F)[C@H]1CCCO1 299288384 IFRNHBFFLMBYIC-SECBINFHSA-N 227.210 2.082 0 40 BEAB COC(=O)c1coc(Cc2ccc(F)cc2)n1 585656328 BYRRAMVIENZWPQ-UHFFFAOYSA-N 235.214 2.191 0 40 BEAB CN1CCCC[C@@H]2[C@H]1CCN2C1CCCC1 2037834454 GFUWPGZPWKLAGW-ZIAGYGMSSA-N 222.376 2.488 0 40 BEAB Cc1ccccc1OCC(=O)Nc1ccncc1 826214 RGENIWFEBVGBLW-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB CCOC(OCC)[C@H](O)c1ccccc1 1593665 YSGJEEVUJUHJOJ-LLVKDONJSA-N 210.273 2.119 0 40 BEAB CN(C(=O)c1ccncc1)c1ccccc1 1740602 IFYISVHCTQWKJB-UHFFFAOYSA-N 212.252 2.358 0 40 BEAB in-vitro CC(=O)Nc1ccc(Cl)cc1NC(C)=O 1867046 VDFQABAPEFACAU-UHFFFAOYSA-N 226.663 2.257 0 40 BEAB CC(C)(C)c1csc2nc[nH]c(=O)c12 2541435 KJUXCIVSAKMXLP-UHFFFAOYSA-N 208.286 2.282 0 40 BEAB O=C(C[C@H](O)c1ccccc1)Nc1ccccn1 8627444 CXQOXYNGWDMOGB-LBPRGKRZSA-N 242.278 2.144 0 40 BEAB Cc1ccc(F)cc1-c1nnc(N)s1 8726716 FAIIMRSQQQMHPR-UHFFFAOYSA-N 209.249 2.235 0 40 BEAB in-vitro Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)on1 9322958 UXRQAMQGNQIYSE-UHFFFAOYSA-N 245.282 2.301 0 40 BEAB Cc1nn(-c2ccc(F)cc2)cc1C(=O)O 11920516 AUJMRONEMHYYBH-UHFFFAOYSA-N 220.203 2.018 0 40 BEAB O=c1cnnc(Nc2ccc3ccccc3c2)[nH]1 11990576 ODVWGXNHKBYQCX-UHFFFAOYSA-N 238.250 2.062 0 40 BEAB CCC(=O)N(C)c1nc2ccccc2o1 12973156 SKRATEUXJUCHQM-UHFFFAOYSA-N 204.229 2.201 0 40 BEAB CCCCNC(=S)Nc1ccncc1 13837232 MOTKPZXQXDGUOQ-UHFFFAOYSA-N 209.318 2.168 0 40 BEAB CCOc1ccc([C@@H](C(=O)O)N2CCCC2)cc1 16851995 QIPNKIFHXVWIFF-ZDUSSCGKSA-N 249.310 2.307 0 40 BEAB CCCCS(=O)(=O)Nc1ccc(C)c(N)c1 19428067 AFOMPLAOQHGXOV-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB COc1ccc(OC)c(CNC(C)C)c1 19880950 BPXDPBSSMDYQED-UHFFFAOYSA-N 209.289 2.202 0 40 BEAB CCC[C@@H](C)CNCc1nnc2ccccn12 20185696 HVGPLWDEQRCVLL-LLVKDONJSA-N 232.331 2.255 0 40 BEAB COc1cccc(CNc2cnn(C)c2)c1 20350268 QGJFQBIKEWJIFJ-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB Cc1ccc([C@H](CN)N2C[C@H](C)O[C@H](C)C2)cc1 22166916 JIDRSRYRCNYOIG-GUTXKFCHSA-N 248.370 2.104 0 40 BEAB Cc1cc(CN2CCOCC2)c2ncccc2c1 26511607 XCUZXXRYKDMRBN-UHFFFAOYSA-N 242.322 2.375 0 40 BEAB CC1CCC(NC(=O)c2ccc[nH]2)CC1 32819045 JYRSAMIXNJDGCZ-UHFFFAOYSA-N 206.289 2.323 0 40 BEAB CCC(=O)NCCc1cccc2cccnc12 32898882 LPQYGTJPBGYVGS-UHFFFAOYSA-N 228.295 2.304 0 40 BEAB NC(=O)c1cc(N)ccc1Oc1ccccc1 41080323 JLCAMHPHYZGTAU-UHFFFAOYSA-N 228.251 2.160 0 40 BEAB Cc1ccc(CNCCn2cccn2)s1 42351721 WTGCGESNJMKFMQ-UHFFFAOYSA-N 221.329 2.043 0 40 BEAB C[C@@H](NC(=O)CC(F)(F)F)c1ccncc1 44600685 NYANNXVURADCTD-SSDOTTSWSA-N 232.205 2.211 0 40 BEAB Cc1cc(C(=O)N(C)[C@H](C)CC(C)C)on1 45088588 LFOUNKFBRQGWSJ-SNVBAGLBSA-N 224.304 2.490 0 40 BEAB FC(F)(F)c1cccc(OC[C@@H]2CCCN2)n1 51866544 RKOOENUOSXBQFB-QMMMGPOBSA-N 246.232 2.231 0 40 BEAB CCO[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1C 58210411 YGRYHWRVYWFUJN-OLZOCXBDSA-N 249.354 2.467 0 40 BEAB CC(C)(C)C(=O)N1CCNC[C@@H]1c1ccccc1 62622150 ZZEYQXKGPHDUOA-CYBMUJFWSA-N 246.354 2.206 0 40 BEAB COCCN1CC[C@H](c2ccccc2)C1 69874786 KRDQWOHOOYIHKV-ZDUSSCGKSA-N 205.301 2.122 0 40 BEAB CCN(CC)C(=O)c1ccc(C)nc1C 70262526 TUKCITNPQQHRNO-UHFFFAOYSA-N 206.289 2.180 0 40 BEAB CC(C)(C)[C@@H](O)CNC(=O)NC1CCCCC1 71902358 BATNNZDPBGAYFF-NSHDSACASA-N 242.363 2.025 0 40 BEAB Cc1nc(OCc2ccccc2)ccc1CN 72224460 AKRZIEGJHOBJHW-UHFFFAOYSA-N 228.295 2.428 0 40 BEAB CC(C)CN1CCC(c2ccn[nH]2)CC1 72361110 GOWHZYKUHLVMOH-UHFFFAOYSA-N 207.321 2.245 0 40 BEAB Cc1ccccc1-c1nnc(C(=O)O)s1 83304388 MRFARNYELHGQEE-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB Cc1cc(Br)cnc1-n1cccn1 84192991 IRXQTISFTVGDCJ-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB C[C@@H](NCc1ccco1)c1nnc2n1CCCC2 84668008 CEFNTGQTYXIUMR-SNVBAGLBSA-N 246.314 2.058 0 40 BEAB CCCN(C)C[C@H]1Cc2ccccc2N1 87655863 LAIZUVWRYCXFGQ-GFCCVEGCSA-N 204.317 2.365 0 40 BEAB CC(C)(C)NCC(=O)COc1ccccc1 95836502 QMWLPUTYUTXWAC-UHFFFAOYSA-N 221.300 2.023 0 40 BEAB Cc1ccc([C@@]2(C(=O)O)CC2(F)F)cc1 96515575 WPRKRLACALEMHD-SNVBAGLBSA-N 212.195 2.356 0 40 BEAB O[C@H](c1ccnc(Cl)c1)C(F)(F)F 96528101 CKRHTOYGHUTCNF-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB CN1CCCN=C1/C=C/c1cccc(O)c1 100025503 VRYKTHBAWRESFI-VOTSOKGWSA-N 216.284 2.139 0 40 BEAB C1CC1c1nsc(N[C@H]2C[C@H]3CC[C@H]2O3)n1 107518572 XOOULZWQOAXRRK-HRDYMLBCSA-N 237.328 2.147 0 40 BEAB C[C@H]1CCCC[C@H]1CNC[C@H](C)CCO 108468135 YWYZRSKYGGOQEG-AGIUHOORSA-N 213.365 2.421 0 40 BEAB Cc1ccc(CCC(=O)Nc2cnns2)o1 191304081 CNWPYYAOIBUHFK-UHFFFAOYSA-N 237.284 2.011 0 40 BEAB CCC[C@@H](C)N1CCC(S(=O)(=O)CC)CC1 192849821 KUFNSNIPPSQGTD-LLVKDONJSA-N 247.404 2.074 0 40 BEAB Cc1cc(Cc2cccc(Cl)c2)c(=O)[nH]n1 199774893 MAFNLERNTZQEFF-UHFFFAOYSA-N 234.686 2.323 0 40 BEAB CCCCNc1ccc(C(=O)NCC)cc1N 213309764 IUNILLQHMJRHAS-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CC(O)C2 306529225 FGRDMTRSSWQCOJ-SAAXCQNUSA-N 241.331 2.061 0 40 BEAB COC(=O)c1ccnc2c(C)csc12 307308354 DYJPPNSODXJBDU-UHFFFAOYSA-N 207.254 2.391 0 40 BEAB C1CCC2(CC1)CC(NCC1COC1)C2 529677056 YQYCCZYOMUBAIP-UHFFFAOYSA-N 209.333 2.335 0 40 BEAB C[C@H](Oc1ncnc2c1CCC2)C1CC1 585652821 XENPREPNALTYSC-QMMMGPOBSA-N 204.273 2.143 0 40 BEAB Cc1ccc(N(C)Cc2ccccc2)nn1 605432488 TWBQKZZOADBZKE-UHFFFAOYSA-N 213.284 2.421 0 40 BEAB COc1cnc2cc(C)ccc2c1C(=O)O 685936823 BMJBVSCREHZSAZ-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(OC(C)=O)cc1 60658 IRDDCELIOYOJJD-SECBINFHSA-N 235.283 2.140 0 40 BEAB O=C(COc1ccc(F)cc1)Nc1cccnc1 269458 WNKYCNWOJDONQC-UHFFFAOYSA-N 246.241 2.238 0 40 BEAB Cc1nnc(NC(=O)c2ccccc2C)s1 361756 LXBRRZMQOLQTFC-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB CC[C@@H](C(=O)NC1=NCCS1)c1ccccc1 5476820 DYBQJKFWWGUNIF-LLVKDONJSA-N 248.351 2.399 0 40 BEAB CCN(CC)CCCN=c1[nH]c2ccccc2[nH]1 6005829 CGNYOHLJXUUNOM-UHFFFAOYSA-N 246.358 2.129 0 40 BEAB aggregator CCOc1cccc(-c2cc(C(=O)O)n[nH]2)c1 6848472 MZLAELJONIZRKB-UHFFFAOYSA-N 232.239 2.174 0 40 BEAB Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)cc1 10157357 HKKTYHILGKBIGB-UHFFFAOYSA-N 228.295 2.353 0 40 BEAB O=Cc1c(Cl)c(F)nc(F)c1Cl 14982613 QEUAYMLYSRYBEG-UHFFFAOYSA-N 211.982 2.479 0 40 BEAB N[C@@H]1CCOc2ccc(C(F)(F)F)cc21 16082997 UPEDVFHMBQZINU-MRVPVSSYSA-N 217.190 2.488 0 40 BEAB CC(C)(OC(=O)/C=C\c1ccccc1)C(=O)O 16922378 GQORSRVGORMGTM-HJWRWDBZSA-N 234.251 2.106 0 40 BEAB CNCC(=O)Nc1ccc(Cl)cc1Cl 19422459 IDZQYHOHXDRSRS-UHFFFAOYSA-N 233.098 2.151 0 40 BEAB O=C(O)c1ccnc(NC2CCCC2)c1 19844615 NNHLQOZJRIRQQU-UHFFFAOYSA-N 206.245 2.134 0 40 BEAB in-vitro Nc1cc(F)ccc1NC(=O)c1ccccn1 21955970 YKGHZEOTRPIFLB-UHFFFAOYSA-N 231.230 2.055 0 40 BEAB in-vitro Nc1cc(Cl)cc(Cl)c1N1CCOCC1 22122012 LEBYUYKQQDIEDL-UHFFFAOYSA-N 247.125 2.412 0 40 BEAB Cc1ccc(C(=O)NCCc2ccccc2)cn1 32895336 DDIDKSXKNOFAPR-UHFFFAOYSA-N 240.306 2.363 0 40 BEAB N[C@H](C(=O)NCc1cccs1)c1ccccc1 34754729 YGHPXQSDZMRMFC-LBPRGKRZSA-N 246.335 2.064 0 40 BEAB in-vitro CCN1CC[C@@H](CNCc2cccs2)C1 37484187 HFLCJDWLDXYTHT-NSHDSACASA-N 224.373 2.180 0 40 BEAB CC(C)(C)OC(=O)Nc1ncccc1N 39093472 CIIDKKKSWTZUGB-UHFFFAOYSA-N 209.249 2.011 0 40 BEAB Cc1ccccc1CN(C)[C@@H]1C[C@H](C)OC1=O 40477633 UTEPJJPZARQIRX-WCQYABFASA-N 233.311 2.131 0 40 BEAB Cc1c(N)cc(Br)c(O)c1C 40538084 GJVYSQOPEWAJCS-UHFFFAOYSA-N 216.078 2.354 0 40 BEAB Cc1cc(OC2CNC2)cc(C)c1Cl 42769953 YXJSSPAHYFNHCK-UHFFFAOYSA-N 211.692 2.307 0 40 BEAB C[C@@H](C(=O)N(C)Cc1ccsc1)n1cccn1 44681061 SWGUNXQXTNRCNG-JTQLQIEISA-N 249.339 2.164 0 40 BEAB COCC(=O)N1CCC[C@@H]1c1ccsc1 46913978 BZDQKEMGWPFMAL-SNVBAGLBSA-N 225.313 2.058 0 40 BEAB Cc1cc(C)nc(SC[C@H]2CCCCN2)n1 51608122 HOLDKGVIFZRYQS-LLVKDONJSA-N 237.372 2.328 0 40 BEAB CC[C@H](c1ccccc1)N1CCN(C(C)=O)CC1 57860140 HKZIBDXPSRCYOQ-OAHLLOKOSA-N 246.354 2.302 0 40 BEAB CSC1=N[C@@H](C)C[C@H](O)N1c1ccccc1 59366417 PUNFJHGYHPNAMG-ONGXEEELSA-N 236.340 2.323 0 40 BEAB Cc1cc(C)cc(CN2CC[C@H](C(=O)O)C2)c1 62133383 KHIQGGKSVSXEDM-ZDUSSCGKSA-N 233.311 2.210 0 40 BEAB Cc1cnn(-c2cncc(Br)c2)c1 72192788 AUXATFWHCOQRSE-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB C[C@H]1CSCCN1C(=O)Nc1nccs1 72291888 HDEOPRDJFDDFJH-ZETCQYMHSA-N 243.357 2.112 0 40 BEAB Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2)n1 72354373 WNBQWDMFUUQWOL-SNVBAGLBSA-N 245.248 2.402 0 40 BEAB CC(C)(O)CSc1nnc(C2CC2)s1 74796593 WEHOWACBIHGAAZ-UHFFFAOYSA-N 230.358 2.279 0 40 BEAB OC[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1 78612571 VNOKQVAPGXBPRA-VIFPVBQESA-N 246.232 2.062 0 40 BEAB Cc1cc(C)c(NC(=O)N(C)C)c(Cl)n1 78975106 MYHCQOWKIRFISD-UHFFFAOYSA-N 227.695 2.445 0 40 BEAB CCN(c1ccccc1F)[C@@H](C)C(=O)O 82259676 NLHYGGKNGMXDQH-QMMMGPOBSA-N 211.236 2.125 0 40 BEAB C[C@H](O)CNc1ccc2ccc(F)cc2n1 84640143 JPLZCVIDQJNNEU-QMMMGPOBSA-N 220.247 2.167 0 40 BEAB CCOP(=O)(OCC)[C@@](C)(N)C(F)(F)F 91252801 IALXMTQFOKSSCM-ZCFIWIBFSA-N 249.169 2.490 0 40 BEAB CC(C)Cn1c(=O)c(Cl)nc2ncccc21 95097721 KRMJDTKJMJYUED-UHFFFAOYSA-N 237.690 2.101 0 40 BEAB C[C@@H]1CC[C@H]1COc1ccc(C(=O)O)cn1 96526337 JUJIAYNGADBWRB-SCZZXKLOSA-N 221.256 2.205 0 40 BEAB Cc1cc(NC(=O)Nc2cnn(C)c2)ccc1O 97104713 JUMYUKDTRBIPOE-UHFFFAOYSA-N 246.270 2.078 0 40 BEAB c1cncc(-c2nc([C@H]3CCCCCN3)no2)c1 135984837 AABWTTWNMACGSY-LLVKDONJSA-N 244.298 2.336 0 40 BEAB CCC(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 192055452 DXSPGCGMUWFQCX-IUODEOHRSA-N 249.354 2.142 0 40 BEAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)CCN 195542332 XEJLGNQNPPBTJH-GFCCVEGCSA-N 246.354 2.335 0 40 BEAB Cc1ccccc1N1CCN[C@H]2CCC[C@@H]21 225716332 IOMBDNVJKDTDRM-JSGCOSHPSA-N 216.328 2.326 0 40 BEAB CCCN1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1 248161387 LTGRQUZUMNLTFE-KWCYVHTRSA-N 232.327 2.333 0 40 BEAB c1cnc([C@H]2CCCN2Cc2nccs2)cn1 257256618 KMFWBFGRUBBNSM-LLVKDONJSA-N 246.339 2.270 0 40 BEAB S=C(Nc1ccc2conc2c1)NC1CC1 409204691 IIKRJLWFBDTHCL-UHFFFAOYSA-N 233.296 2.277 0 40 BEAB Cc1ccc([C@H]2CNC[C@H]2C(=O)O)c(Cl)c1 409424123 XREWDLFCKDAIMP-NXEZZACHSA-N 239.702 2.036 0 40 BEAB CCOC(=O)c1ccnc(C(F)(F)F)c1OC 514278271 BDRZLZRTEZIEPW-UHFFFAOYSA-N 249.188 2.286 0 40 BEAB O=C(O)c1c(C(F)(F)F)cnc(F)c1F 604221500 CSISPPQUBCTDIH-UHFFFAOYSA-N 227.088 2.077 0 40 BEAB CC(C)=CCCN1C(=O)N2C3CCC2(CC3)C1=O 630979186 NKSBBPDSTXMZDC-UHFFFAOYSA-N 248.326 2.302 0 40 BEAB CC(=O)Nc1ccc(N(C)C)cc1Cl 1593847 OPXDWZHFCXNFIA-UHFFFAOYSA-N 212.680 2.364 0 40 BEAB c1csc([C@H](NC2=NCCO2)C2CC2)c1 1639242 VJHWETIJMQYHCX-SNVBAGLBSA-N 222.313 2.175 0 40 BEAB CC(=O)O[C@H]1CCC[C@@H](OCC(C)C)O1 1677133 ZKOSHQJCKQMIQJ-WDEREUQCSA-N 216.277 2.075 0 40 BEAB C=C(C(N)=O)c1cc(Cl)ccc1Cl 1702074 HSUKQCYWACPCHM-UHFFFAOYSA-N 216.067 2.492 0 40 BEAB CC1=C[C@@H](c2ccccc2F)n2ncnc2N1 4124487 ATHBHWXZVZIRJS-NSHDSACASA-N 230.246 2.336 0 40 BEAB CCN1C(=O)c2cccc3cccc(c23)C1=O 4156458 YATFILGBMGSWTE-UHFFFAOYSA-N 225.247 2.456 0 40 BEAB in-vitro CC(C)CNc1nnc2n1CCCCC2 4218592 WZPFBPNBGXDYEC-UHFFFAOYSA-N 208.309 2.072 0 40 BEAB in-vitro CC(=O)O[C@H]1CCc2ccccc2[C@H]1OC(C)=O 4667597 PWDTYDXUIYVSGG-UONOGXRCSA-N 248.278 2.169 0 40 BEAB CN1c2ccccc2[C@]2(C)CC(=O)O[C@@]12C 5173735 RPVZXOABUDPAMG-QWHCGFSZSA-N 217.268 2.057 0 40 BEAB CCC(=O)Nc1sc(C)c(CC)c1C(N)=O 5477126 DDWOFUXZWZBLBI-UHFFFAOYSA-N 240.328 2.066 0 40 BEAB O=C(O)CCC(=O)Nc1cccc2c1CCCC2 6668473 FAXQLWKQWVJTAO-UHFFFAOYSA-N 247.294 2.369 0 40 BEAB N[C@H](CC(=O)O)c1ccc2c(c1)CCCC2 9280354 GPQHIVDSBJLOKO-GFCCVEGCSA-N 219.284 2.040 0 40 BEAB Cc1c(C(=O)NC(C)C)oc2c1C(=O)CCC2 16739552 WYVFKUDSADTANL-UHFFFAOYSA-N 235.283 2.245 0 40 BEAB Cc1ccc(Cn2c(CO)c[nH]c2=S)cc1 19724507 UIPANRBZYXMECB-UHFFFAOYSA-N 234.324 2.395 0 40 BEAB CN(CCc1ccccn1)CC1(N)CCCCC1 20074371 FCBPRBXGRKQZON-UHFFFAOYSA-N 247.386 2.218 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1CN(C)C 24809699 JWAIKRXJJRYWQJ-PWSUYJOCSA-N 232.327 2.343 0 40 BEAB Cc1nc2c3ccccc3nc(Cl)n2n1 32629228 OTLFXEHWBDUICO-UHFFFAOYSA-N 218.647 2.239 0 40 BEAB in-vitro CCOc1cccc(/C=C\[N+](=O)[O-])c1O 33369401 IYDHELOQZJRCML-SREVYHEPSA-N 209.201 2.038 0 40 BEAB O[C@@H](C[C@@H](O)c1ccccc1)C(F)(F)F 33805442 XWWKWKRVRQENAP-BDAKNGLRSA-N 220.190 2.033 0 40 BEAB COC(=O)[C@H](C)Nc1ccc(Cl)cc1 33947230 MMCACXQOJXOMAB-ZETCQYMHSA-N 213.664 2.313 0 40 BEAB CCCc1cc(=O)[nH]c(-c2cccc(OC)c2)n1 37409017 QEEXWACNLIVUJN-UHFFFAOYSA-N 244.294 2.398 0 40 BEAB CC(C)c1nccn1[C@@H]1CCCC[C@H]1O 37694212 IYRJOXOSRJODCP-GHMZBOCLSA-N 208.305 2.483 0 40 BEAB CCCCNc1ccc(N)cc1C(=O)O 37930336 UFTJLYIVQPGJSP-UHFFFAOYSA-N 208.261 2.179 0 40 BEAB Fc1ccc2ncnc(N3CCCC3)c2c1 41475577 AUAAZBMTYJIVGU-UHFFFAOYSA-N 217.247 2.369 0 40 BEAB COc1ccccc1CNCC1CCN(C)CC1 44515301 IVNFECHEKATUDJ-UHFFFAOYSA-N 248.370 2.127 0 40 BEAB CCCCN(C)C(=O)C(=O)c1ccc(OC)cc1 49836964 DPODYWYKLNDXHJ-UHFFFAOYSA-N 249.310 2.136 0 40 BEAB CNC[C@H](OC(C)C)c1cccc(OC)c1 50483673 ZNPWOLXFTHGPMO-ZDUSSCGKSA-N 223.316 2.381 0 40 BEAB CN[C@H]1CCCN(C(=O)c2cccc(C)c2C)C1 53202627 JRVNLJYLOUMPSP-ZDUSSCGKSA-N 246.354 2.127 0 40 BEAB O=C(O)[C@H]1CCCC[C@H]1c1cccnc1 62569306 JVDWCSFNPJYXRT-QWRGUYRKSA-N 205.257 2.440 0 40 BEAB O=C(c1ccccc1F)C1CCOCC1 68956718 QDUMAVRTLFJNAP-UHFFFAOYSA-N 208.232 2.435 0 40 BEAB CCO[C@H]1C[C@@H](NC(=O)C2CCC2)C1(C)C 71915421 FMXVPPBHMPIQLY-MNOVXSKESA-N 225.332 2.106 0 40 BEAB CN(C)Cc1ccc(F)c(-c2cc[nH]n2)c1 75928125 ITLDQRDIRHBKAX-UHFFFAOYSA-N 219.263 2.277 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccnc1 78147130 INCQWLCAGQRTMV-HOSYDEDBSA-N 216.284 2.000 0 40 BEAB CON(C)C(=O)c1cc(Cl)ncc1Cl 90413466 VSSPRJVEIFVRPE-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=O 95348192 JKQHPVNJIQJWGV-SECBINFHSA-N 227.304 2.413 0 40 BEAB in-vitro O=C1Nc2cccc(Br)c2C12CC2 96028807 PSJOQBQRAHOTPT-UHFFFAOYSA-N 238.084 2.433 0 40 BEAB NCCn1nccc1-c1cccc(Cl)c1 96527698 JFZWSTNGTPGQHZ-UHFFFAOYSA-N 221.691 2.162 0 40 BEAB O=C(O)Cc1coc(/C=C/c2ccccc2)n1 96912280 JHEXHKPQHWGDIS-VOTSOKGWSA-N 229.235 2.472 0 40 BEAB CCOCCS[C@H](C)C(=O)N1CCCCC1 97114021 TYHDBLZRNCGSFM-LLVKDONJSA-N 245.388 2.157 0 40 BEAB CC(=O)OCC(=O)c1ccccc1Cl 140304923 FVPDGYGSHDQTJL-UHFFFAOYSA-N 212.632 2.086 0 40 BEAB Cc1ccc([C@H](NN)C(F)(F)F)cc1 161800178 SKLPPFSZFDNHKL-QMMMGPOBSA-N 204.195 2.062 0 40 BEAB Cc1cc(C=O)ccc1N1CCCCC1=O 199770911 CYISWAGSBRCGQW-UHFFFAOYSA-N 217.268 2.324 0 40 BEAB O=C(O)[C@@H]1CCC2(C1)SCCCS2 217905231 PJKRPIWBXSBWNX-SSDOTTSWSA-N 218.343 2.438 0 40 BEAB Fc1ccccc1N1CCN[C@H]2CCC[C@H]21 218845466 GLTPNMWLBDHGSZ-WCQYABFASA-N 220.291 2.156 0 40 BEAB CC[C@H](C(=O)O)N1CC[C@@H](Nc2ccccc2)C1 249034184 WRPVWLVVAPYMEE-CHWSQXEVSA-N 248.326 2.036 0 40 BEAB CC(=O)N1CCCC[C@H]1CC[C@@H]1CCCCN1 252497312 QDLPLRVGHSLZQZ-KBPBESRZSA-N 238.375 2.310 0 40 BEAB Cc1c(CNc2ccn(C)n2)cnn1C(C)C 256053227 QOKSWUYPVIYWOT-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Cc1cc(-c2cccc([C@H]3CCCN3)n2)[nH]n1 257242627 IDJRLVZYZUHQFB-SNVBAGLBSA-N 228.299 2.205 0 40 BEAB COc1ccc(Nc2ncc(C)c(O)n2)cc1 408980710 SMCATKXRJQPIKH-UHFFFAOYSA-N 231.255 2.243 0 40 BEAB Clc1nccnc1Oc1ccncc1 575415106 QVFPKGDKRVDMOJ-UHFFFAOYSA-N 207.620 2.317 0 40 BEAB COC(=O)c1cnn2cc(Cl)cc(Cl)c12 1857795739 YBSCVHOSHOOEQP-UHFFFAOYSA-N 245.065 2.428 0 40 BEAB Cc1nonc1Nc1cc(C2CCC2)ncn1 1888859372 ZHKMQMXVNUFYRK-UHFFFAOYSA-N 231.259 2.179 0 40 BEAB CCOC(=O)c1ncoc1-c1ccco1 107442 RNUNYNLZKJUQFI-UHFFFAOYSA-N 207.185 2.111 0 40 BEAB in-vitro CC(=O)N(C)CCc1c[nH]c2ccccc12 1644308 QXARHNVPFNXOJM-UHFFFAOYSA-N 216.284 2.189 0 40 BEAB endogenous,in-man COc1ccc(OC)c2oc(=O)c(C(C)=O)cc12 2119851 SJCQSQJSEQOAEP-UHFFFAOYSA-N 248.234 2.013 0 40 BEAB biogenic CC/C=C1/CC(=O)N(c2ccccc2)C1=O 5347175 GARIPDSXVQLSGQ-POHAHGRESA-N 215.252 2.286 0 40 BEAB COc1ccc2c(c1)CC[C@H]1C=NO[C@H]21 5551374 YRSNLDZQPNYKPW-CABZTGNLSA-N 203.241 2.315 0 40 BEAB CCC[C@@H](C)C(=O)Nc1nnc(CC)s1 6779186 MJSJEZGTTOTMOR-SSDOTTSWSA-N 227.333 2.475 0 40 BEAB CCNS(=O)(=O)c1ccc(C(C)C)cc1 7779361 JZJQCPKIXBSFIS-UHFFFAOYSA-N 227.329 2.108 0 40 BEAB CC(=O)COc1ccc(Cl)cc1C(=O)O 7989246 GCYAYALKLULVFC-UHFFFAOYSA-N 228.631 2.006 0 40 BEAB CC(=O)c1nnn(-c2ccc(C)cc2)c1C 11888170 JZNCZWHUBOFGPJ-UHFFFAOYSA-N 215.256 2.087 0 40 BEAB in-vitro C[C@H](C1CC1)N(C)C(=O)c1n[nH]c2ccccc12 12535896 HXMOFVLILAHRRQ-SECBINFHSA-N 243.310 2.433 0 40 BEAB CCCCSc1ncnc2n[nH]cc12 13597428 BRYJGRCRYZXSRY-UHFFFAOYSA-N 208.290 2.245 0 40 BEAB S=C(Nc1ccc(Cl)cn1)NC1CC1 13837981 CGNMRKBMPXORAR-UHFFFAOYSA-N 227.720 2.184 0 40 BEAB C/C=C(/C)C(C)(C(=O)OCC)C(=O)OCC 16930648 DSHUXZAYERSRTC-TWGQIWQCSA-N 228.288 2.085 0 40 BEAB C[C@H]1CCCN(CC[C@@H]2CCCCN2)C1 20180476 TXMHJKJXMIMJLR-STQMWFEESA-N 210.365 2.251 0 40 BEAB CCN(CC)CC(=O)c1ccc(OC)c(F)c1 26505652 TXPTUFKCOPKPON-UHFFFAOYSA-N 239.290 2.359 0 40 BEAB Cc1noc([C@@H](C)Nc2ccc3c(c2)OCO3)n1 26982035 CFEOYUPFCWDESQ-SSDOTTSWSA-N 247.254 2.280 0 40 BEAB COC(=O)CSC(=S)N1CCCCCC1 27517207 CPNWTMBLTKHQLU-UHFFFAOYSA-N 247.385 2.054 0 40 BEAB CCOC(=O)[C@@](C)(O)c1ccc(Cl)cc1 34604842 XVRYNQCOKCJXPR-NSHDSACASA-N 228.675 2.111 0 40 BEAB C[C@@H](NCC1CCC1)C(=O)Nc1ccccc1 34653294 WOGCSQKIUOERNV-LLVKDONJSA-N 232.327 2.403 0 40 BEAB CC[C@H](N)[C@@H](O)c1c(F)cccc1Cl 36779410 FMPJLTYAWDWGDH-WCBMZHEXSA-N 217.671 2.250 0 40 BEAB in-vitro CCC[C@@H](N)C(=O)N(C)C1CCCCCC1 36873463 QHNJRISKEUOURJ-GFCCVEGCSA-N 226.364 2.295 0 40 BEAB CCOc1cccc(CN[C@H]2CCC[C@H]2O)c1 37690272 FSBDQZLIVYFOAR-UONOGXRCSA-N 235.327 2.088 0 40 BEAB COC(=O)c1cnc2cc(OC)c(OC)cc2c1 38222093 XBXMNUHSRYSEJU-UHFFFAOYSA-N 247.250 2.039 0 40 BEAB Cc1ccc(-n2ncc(C(=O)O)c2C)cc1C 38478133 QWIJWAJWBJVKQG-UHFFFAOYSA-N 230.267 2.496 0 40 BEAB COC(=O)c1ccc2c(N)cccc2c1 39084955 FQINCIUCUPLHKP-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB CCCCC(=O)Nc1cnc2c(c1)c(C)nn2C 48340617 IYJLHMMAPKMJMK-UHFFFAOYSA-N 246.314 2.405 0 40 BEAB CC(C)NC(=O)N1CCC[C@@H]1c1ccccn1 48922595 SMMATNCUTLANGJ-GFCCVEGCSA-N 233.315 2.337 0 40 BEAB CS[C@@H](C)c1nc2ccccc2c(=O)[nH]1 59352192 JPOMTOWDSQOYHA-ZETCQYMHSA-N 220.297 2.347 0 40 BEAB Cc1ccc(S(=O)(=O)O)cc1C(C)C 60205378 CJMJMMDRXMHQRU-UHFFFAOYSA-N 214.286 2.365 0 40 BEAB CCc1cc2cc(OC)ccc2[nH]c1=O 61997522 JPTIBWIBYJNORI-UHFFFAOYSA-N 203.241 2.099 0 40 BEAB O=C(O)c1nc2ccc(Br)cc2o1 66354451 CIMXFTLLAUVPOK-UHFFFAOYSA-N 242.028 2.289 0 40 BEAB Cc1nc(CO)ncc1-c1cc(F)cc(F)c1 72233414 RCXMDUPQCDJAMD-UHFFFAOYSA-N 236.221 2.223 0 40 BEAB Cc1nccn1-c1cccc([C@H]2CCCNC2)n1 72344158 IWAXLLIJRVKGKT-LBPRGKRZSA-N 242.326 2.043 0 40 BEAB CCOc1cc2c(cc1C=O)C[C@@H](C)O2 73734422 STSHKBRKZGRSEK-MRVPVSSYSA-N 206.241 2.221 0 40 BEAB CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O 82164286 SEUXPDHPZUFZFQ-NSHDSACASA-N 231.292 2.012 0 40 BEAB in-vitro O=C(C[C@@H]1C=CCC1)Nc1ncccc1O 84358865 QKYGYXXTJJVSRH-SECBINFHSA-N 218.256 2.082 0 40 BEAB Clc1cn2cnc(Br)c2cn1 89195415 KBXCMDVFWACMSQ-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB in-vitro COCCCc1cc(C=O)c(Cl)cn1 90556082 IMWANAFPOIDMHU-UHFFFAOYSA-N 213.664 2.127 0 40 BEAB CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 95394496 JRMMYGIGOBOJED-CQSZACIVSA-N 229.279 2.009 0 40 BEAB CCCN1CCC[C@H]1C(=O)Nc1ccccc1O 95442644 SMPCUALSMNPOLB-LBPRGKRZSA-N 248.326 2.205 0 40 BEAB CCO[C@H](C)c1nccn1Cc1nccs1 95977993 SYGZLUUGXSBBEO-SECBINFHSA-N 237.328 2.485 0 40 BEAB COc1ccc(C[C@H]2CN(C)CC[C@H]2OC)cc1 96110267 JTUOXRAFRPPPHU-DZGCQCFKSA-N 249.354 2.204 0 40 BEAB OCc1ccc2[nH]cc(Br)c2c1 216199692 SPQMSBMLCJWXLP-UHFFFAOYSA-N 226.073 2.423 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](CO)[C@H]12 242688455 VQLQJLNARBICNV-IGORNWKESA-N 238.249 2.218 0 40 BEAB Cn1c(Cl)nc2c(Cl)nc(Cl)nc21 1696523 NMOUQEOHWOLCBH-UHFFFAOYSA-N 237.477 2.324 0 40 BEAB O=C(O)Cc1cccc(-c2cccnc2)c1 2581091 PYYYKVJJIGKHKH-UHFFFAOYSA-N 213.236 2.376 0 40 BEAB in-vitro CC(=O)c1ccc(SCC(=O)O)c(F)c1 2654587 RUPLKAYIPMBIKZ-UHFFFAOYSA-N 228.244 2.205 0 40 BEAB in-vitro O=C(/C=C/c1cccs1)OC[C@@H]1CCCO1 3411542 LYXPODAIQMTOLT-PORFMDCZSA-N 238.308 2.484 0 40 BEAB Brc1cccc(OC[C@H]2CO2)c1 4200165 MJDGHPATEBXUTI-VIFPVBQESA-N 229.073 2.227 0 40 BEAB in-vitro COC(=O)[C@H](C)CNC1CCCCCCC1 6086955 DHZIMSCBFKTLAA-LLVKDONJSA-N 227.348 2.498 0 40 BEAB O=c1cccc([C@@H]2CCc3cc(O)ccc3C2)[nH]1 8615488 JGEYQYCTIZLFCB-GFCCVEGCSA-N 241.290 2.353 0 40 BEAB in-vitro CC[C@@H](C)c1ccc(NC(=O)CCN)cc1 8732968 JQTJZRMPOKVXNA-SNVBAGLBSA-N 220.316 2.487 0 40 BEAB c1cnc2c(CSC3=NCCN3)cccc2c1 14245795 GWWJQSQTVDQMEJ-UHFFFAOYSA-N 243.335 2.427 0 40 BEAB Cc1nnc2sc(-c3ccsc3)nn12 15109558 ZOWXEHDOTMPNMO-UHFFFAOYSA-N 222.298 2.223 0 40 BEAB CC(=O)Nc1nc(C)c2c(n1)C[C@H]1[C@@H]2C1(C)C 16035968 BESMNXKBNDKJBW-KWQFWETISA-N 231.299 2.039 0 40 BEAB CC(C)[C@@H](NCc1ccc(F)cc1)C(=O)O 19787747 RFVLQWXZKUADGB-LLVKDONJSA-N 225.263 2.025 0 40 BEAB CC[C@H](CO)N[C@H](CC)c1ccccc1 20194799 IBHAPVSEXAHHAZ-CHWSQXEVSA-N 207.317 2.498 0 40 BEAB CCOc1ccc(-c2nnc(NC(C)=O)o2)cc1 20496029 ZPAQIJBMNOWXLR-UHFFFAOYSA-N 247.254 2.094 0 40 BEAB CN(C)c1ccc(NC(=O)[C@H]2CC=CCC2)cn1 22395975 IOBTVFDHQHKGJF-NSHDSACASA-N 245.326 2.442 0 40 BEAB Cc1noc(C(C)C)c1C(=O)Nc1cnn(C)c1 25306757 VYHWHOLNRZBUQN-UHFFFAOYSA-N 248.286 2.092 0 40 BEAB Cc1cc2c(cc1N)C(=O)c1cc(N)ccc1-2 26506071 RRCOWOFUIMPVKR-UHFFFAOYSA-N 224.263 2.371 0 40 BEAB Cc1cccc(CN(CC(=O)O)C2CC2)c1 32013397 RKESQKUTFVCYFW-UHFFFAOYSA-N 219.284 2.044 0 40 BEAB CC1CCC(N(C)C(=O)c2ccc(=O)[nH]c2)CC1 32819180 NKKADLGQCFHJOR-UHFFFAOYSA-N 248.326 2.026 0 40 BEAB FCCOc1ccccc1OCCF 34450154 JYRZMMLIJJIPFK-UHFFFAOYSA-N 202.200 2.383 0 40 BEAB O=C1Nc2cc(-c3ccccc3)ccc2C1=O 35086915 WBDQMTSHOJHWHX-UHFFFAOYSA-N 223.231 2.488 0 40 BEAB COC(=O)[C@H](N)c1c(Cl)cccc1Cl 37459752 MCAFQQRDOMKZEG-MRVPVSSYSA-N 234.082 2.166 0 40 BEAB CC[C@H](C)NC(=O)CCc1nc(C(C)C)no1 40088737 ICJHEZRCOJSVAZ-VIFPVBQESA-N 239.319 2.040 0 40 BEAB CC[C@H](NS(C)(=O)=O)c1cccc(Cl)c1 40523851 VEWSYCAVTMCBOH-JTQLQIEISA-N 247.747 2.340 0 40 BEAB CCOC(=O)c1nc(-c2cccc(F)c2)no1 45919563 ZZQLSPGEQJBFQV-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB CCCN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 47774508 TZLSROQHCMBDKY-STQMWFEESA-N 227.348 2.056 0 40 BEAB Cc1c(N)cnn1-c1ccc(Cl)cc1 48218387 NILLVOYJYLUZIU-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB O=C(O)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 49822696 FAWQZNACUZJAJY-ZETCQYMHSA-N 233.242 2.497 0 40 BEAB CC(=O)N[C@@H](C)COc1c(C)cccc1C 56437344 DNSFMKGQWLZMOJ-NSHDSACASA-N 221.300 2.207 0 40 BEAB in-vitro Cc1cc(NCc2ncc[nH]2)ccc1F 61116645 VMADWICXBYMXSE-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB CCc1ccc2c(c1)c(=O)ccn2CCC(=O)O 62718802 ANHVSMQZEWEALW-UHFFFAOYSA-N 245.278 2.039 0 40 BEAB COCC(=O)N1CCC[C@H](c2ccccc2)CC1 66765425 ZIZQKWVRZPZMIU-AWEZNQCLSA-N 247.338 2.429 0 40 BEAB Cc1ncsc1C(=O)Nc1[nH]nc(C)c1C 69493854 JWUCPPQUCDYPCS-UHFFFAOYSA-N 236.300 2.044 0 40 BEAB O=C(O)Cc1cc(Cl)cc(Cl)c1O 71462836 NKNKBVVUEYMSAJ-UHFFFAOYSA-N 221.039 2.326 0 40 BEAB CC[C@@H]1CN(Cc2cnc(C)cn2)CCS1 78947902 XQQRXPKCDWLJIY-GFCCVEGCSA-N 237.372 2.112 0 40 BEAB CCc1ccc(N(C)[C@H](C)C(=O)O)cc1 82259491 CBNCYEYURFVVJQ-SECBINFHSA-N 207.273 2.158 0 40 BEAB CCCOc1ccc(Cc2nnc(S)[nH]2)cc1 96295200 GOYXHUBQORDRNI-UHFFFAOYSA-N 249.339 2.473 0 40 BEAB FC(F)(F)N(C[C@H]1CCCN1)C(F)(F)F 96308525 LVSGNRPSBHOVPI-RXMQYKEDSA-N 236.159 2.080 0 40 BEAB O[C@@H](c1ccnc(Cl)c1)C(F)(F)F 96528098 CKRHTOYGHUTCNF-LURJTMIESA-N 211.570 2.331 0 40 BEAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(C(C)C)C(=O)[C@H]12 102986009 QZDGIMJUMMQDQD-UKJIMTQDSA-N 245.322 2.148 0 40 BEAB O=C(O)[C@@H]1CNc2ccc(C(F)(F)F)cc2C1 138224580 NDRCFMGLAMARKS-ZETCQYMHSA-N 245.200 2.374 0 40 BEAB NC[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 218685772 OJTLHRANFACQCV-QPUJVOFHSA-N 223.703 2.339 0 40 BEAB CCC[C@@H](Oc1nn(C)c2ccccc12)C(=O)O 225770737 FFBJOEBBPJFIQQ-LLVKDONJSA-N 248.282 2.205 0 40 BEAB Cc1cc(Br)cc2ccnn12 238464818 BPVWZDXJOIIFKP-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB CCCn1nc(C)cc1CNc1cc(C)n(C)n1 256050508 FHBQGZVYSRUZOC-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB Cc1cn(C(C)C)nc1NCc1ccnn1C 256053673 SISPJJOKKQXIAD-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CCN1CCC[C@H](Cc2cnc(NC)cn2)CC1 257262527 LLTJCGYLUDPULC-LBPRGKRZSA-N 248.374 2.183 0 40 BEAB CCSCC[C@H](C)NC1CSC1 388450661 YJBBOWYTORZZPH-QMMMGPOBSA-N 205.392 2.223 0 40 BEAB CC[C@@H]1CCCCN1Cc1cc(=N)[nH]n1CC 408716927 SSQJNHYVMSQKFX-LLVKDONJSA-N 236.363 2.080 0 40 BEAB COc1cc(C(=O)O)c(F)c(F)c1Cl 642814288 CPDRDLQUCLLHJI-UHFFFAOYSA-N 222.574 2.325 0 40 BEAB COC(=O)c1cc(Cl)nc2ncccc12 1554770669 FCWSJZMQNWUKLW-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB COc1ccc(Oc2ncccc2N)cc1 83886 YCHHURQEIGRWHU-UHFFFAOYSA-N 216.240 2.465 0 40 BEAB in-vitro CCOC(=O)Nc1cccc(C(C)=O)c1 116426 MTRQKDPBIMRAFG-UHFFFAOYSA-N 207.229 2.458 0 40 BEAB COc1ccc(NC(=O)Nc2nonc2C)cc1 266919 PDNXFNKJJDDSBR-UHFFFAOYSA-N 248.242 2.031 0 40 BEAB OCCCC[C@H]1CO[C@@H](c2ccccc2)O1 1671356 NOHMXHKKCXAPKY-QWHCGFSZSA-N 222.284 2.263 0 40 BEAB CCCC(=O)CCCCC(=O)OCC 2379063 NXLGAXQMRZRNRB-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB CCn1ncc(CN(C)C(=O)c2ccco2)c1C 2764875 IOGOZTXCFCXREB-UHFFFAOYSA-N 247.298 2.077 0 40 BEAB COC[C@H](C)NC(=S)Nc1ccc(F)cc1 3274173 PLGIOLNDDGAAQN-QMMMGPOBSA-N 242.319 2.147 0 40 BEAB C[C@H](CN(C)C)OC(=O)Nc1ccccc1 3633776 HTAXCBIPSABVFQ-SNVBAGLBSA-N 222.288 2.185 0 40 BEAB O=C(O)[C@@H]1CCCN(Cc2cccs2)C1 3750160 NNJNATRFOTXJSW-SECBINFHSA-N 225.313 2.045 0 40 BEAB CO[C@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)O 4025343 NEWSMEZTKJNJKD-IHRRRGAJSA-N 232.279 2.413 0 40 BEAB biogenic CCOC(=O)CC(=O)CSc1ccccc1 4759547 LLGOMIPFKKCDSD-UHFFFAOYSA-N 238.308 2.301 0 40 BEAB Cc1ccc(-c2cn3cccnc3n2)cc1N 4945654 BBYBWJPSOJQOHP-UHFFFAOYSA-N 224.267 2.287 0 40 BEAB O=C(O)CCC/C=C\CCCC(=O)O 5220248 WAGQZQAZCIOEDU-UPHRSURJSA-N 200.234 2.052 0 40 BEAB endogenous,in-man CC[C@@H](C)NC(=O)Cc1ccccc1OC 5467677 IABSGBGYRVCGSK-SNVBAGLBSA-N 221.300 2.152 0 40 BEAB Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1 6502111 AHIHFHUBNZUXDC-OLZOCXBDSA-N 248.326 2.420 0 40 BEAB NC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 8074398 URBJXHASBXSIPF-SNVBAGLBSA-N 244.294 2.080 0 40 BEAB CCC[C@H](Nc1ccccc1OC)C(=O)O 8702788 IUJKCJVUAUWELO-JTQLQIEISA-N 223.272 2.360 0 40 BEAB CC(C)(C)c1ccc(/C=C2\NC(=O)NC2=O)cc1 12410365 OWCKXNANCYSNBR-FLIBITNWSA-N 244.294 2.164 0 40 BEAB COc1ccc(Cl)cc1C(=O)N1CCC1 12973883 ABSCKIXZXSIGLN-UHFFFAOYSA-N 225.675 2.195 0 40 BEAB S=c1[nH]ncn1CCc1ccccc1 16957950 APTHLTYPJMPFQM-UHFFFAOYSA-N 205.286 2.183 0 40 BEAB COc1ccc([C@@H]2C[C@H]2[C@@H](C)N)cc1OC 20392397 HYRHCZXUDHOWNL-MIMYLULJSA-N 221.300 2.155 0 40 BEAB CC(C)c1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 32986235 RINMTWTVDLRXDY-LBPRGKRZSA-N 246.310 2.027 0 40 BEAB CCOC(=O)CC(=O)Cc1cc(F)cc(F)c1 36532575 BNGVJQKYBNTHRC-UHFFFAOYSA-N 242.221 2.030 0 40 BEAB CC(C)(C)c1nnc2cc(Cl)ncn12 36903817 VROUGZXQSCJFOS-UHFFFAOYSA-N 210.668 2.075 0 40 BEAB in-vitro O[C@H]1CCCC[C@@H]1N1CCc2sccc2C1 37491172 ALWUJNWBDWOKIF-RYUDHWBXSA-N 237.368 2.410 0 40 BEAB Fc1cc2c(cc1Br)OCCO2 39233565 UHWXQRYGEVQHGN-UHFFFAOYSA-N 233.036 2.359 0 40 BEAB O=C(O)C12CC3C[C@](F)(C1)C[C@@](F)(C3)C2 39247503 XDAFDDXJQRAKEG-UHYONSCGSA-N 216.227 2.472 0 40 BEAB COC1CCN(c2cnc3ccccc3n2)CC1 41873331 BNTLSAYIQPIOGY-UHFFFAOYSA-N 243.310 2.245 0 40 BEAB FC(F)(F)c1cccc(NC2CCNCC2)n1 44271893 VSFHDKUSAOHYML-UHFFFAOYSA-N 245.248 2.264 0 40 BEAB Cc1cc(NC(=O)[C@H]2CC=CCC2)[nH]n1 47555518 DBKXGJRVRMJAQO-VIFPVBQESA-N 205.261 2.013 0 40 BEAB CCCCOC(=O)COc1cccc(C=O)c1 47873919 IBTSGSLSJDWIJG-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1 49466556 ZRMONEDUYHHAAX-AAEUAGOBSA-N 247.294 2.071 0 40 BEAB Cn1cc(-c2csc(C3CCNCC3)n2)cn1 53252534 GPTUIRQLWOEIQI-UHFFFAOYSA-N 248.355 2.011 0 40 BEAB CC[C@](C)(O)c1cc(OC)ccc1OC 55234342 HAROZWHFVXZMEX-LBPRGKRZSA-N 210.273 2.321 0 40 BEAB CC(C)O[C@@H](CN)c1cc(F)ccc1F 62711794 XVBJFFJOMWMDJE-NSHDSACASA-N 215.243 2.390 0 40 BEAB CCC(=O)N1CCC[C@@H]1c1nc(C)cc(C)n1 72361320 UZBAKAVTAVXYGA-LLVKDONJSA-N 233.315 2.167 0 40 BEAB COc1cc([C@H](C)CCN)cc(OC)c1OC 76621367 IGTXPMJALPZKGY-SECBINFHSA-N 239.315 2.165 0 40 BEAB c1ccc(CN2CCC[C@H]3CNCC[C@H]32)cc1 83328865 TZOUPQXQHUBGOP-LSDHHAIUSA-N 230.355 2.261 0 40 BEAB in-vitro CONC(=O)N[C@@H](C)CCCC(C)C 84510301 KKZILNMEANYMGF-VIFPVBQESA-N 202.298 2.062 0 40 BEAB Fc1cnc(Cl)nc1OCC1CC1 85754715 YDGIDYCIDSNWFN-UHFFFAOYSA-N 202.616 2.058 0 40 BEAB CCc1[nH]nc(NCc2ccco2)c1C 89280092 UOSPUNKYLCWOHN-UHFFFAOYSA-N 205.261 2.486 0 40 BEAB OC1(C2CC2)CN(c2nc3ccccc3s2)C1 89667348 BCDQSRQUAUADOL-UHFFFAOYSA-N 246.335 2.257 0 40 BEAB COC(=O)c1cc(-c2ccccc2)c(N)cn1 95097406 XXNUEEQDMQLZAN-UHFFFAOYSA-N 228.251 2.117 0 40 BEAB Cc1oc(-c2ccccc2[N+](=O)[O-])[n+]([O-])c1C 95837033 KQAZNNRWXVRUQO-UHFFFAOYSA-N 234.211 2.105 0 40 BEAB COc1ccc(C(=O)O)c(OC)c1Cl 95883607 CRTJISYFGAVVBI-UHFFFAOYSA-N 216.620 2.055 0 40 BEAB in-vitro OCc1cc(Br)cc2cccnc12 95929575 HBQPJPSNCZMFRH-UHFFFAOYSA-N 238.084 2.490 0 40 BEAB Cc1ccc(CN[C@@H]2CCO[C@H]2C)cc1 96033517 UXKPGMDJYATICD-WCQYABFASA-N 205.301 2.262 0 40 BEAB Cc1cccc(N(C)C(=O)CC[C@H]2CCCO2)n1 96411584 WMHYTOSDXBMXRD-GFCCVEGCSA-N 248.326 2.312 0 40 BEAB COC[C@H](NC(=O)c1ccoc1)c1ccc(C)o1 96445125 JJBBSHCYJIDLOX-NSHDSACASA-N 249.266 2.299 0 40 BEAB C[C@@H]1CCCC[C@H]1OCCSc1cnn[nH]1 97014291 BJFHGKOXUHLXHL-NXEZZACHSA-N 241.360 2.492 0 40 BEAB C[C@@H](C(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 97097334 FOQYHWQHPGHJLH-BNOWGMLFSA-N 247.338 2.067 0 40 BEAB CC(=O)Nc1cc(CN(C)C)ccc1C 98018413 DTDPKRCXNYUZSY-UHFFFAOYSA-N 206.289 2.015 0 40 BEAB Cc1cn[nH]c1[C@@H]1CCN(Cc2nccs2)C1 205689811 ARAWNUIVSUORQQ-SNVBAGLBSA-N 248.355 2.164 0 40 BEAB CCSc1nc(C)sc1C(=O)O 218308035 ACFFQCOZSCNCTH-UHFFFAOYSA-N 203.288 2.262 0 40 BEAB CC(C)=CC(=O)N1CC[C@H](Oc2ccncc2)C1 240002273 PQWZGFLDDWNUFW-ZDUSSCGKSA-N 246.310 2.028 0 40 BEAB COC(=O)c1cc2cc(OC)ccc2nc1OC 242522360 IOVOZWLGUQTKHM-UHFFFAOYSA-N 247.250 2.039 0 40 BEAB Cc1noc(C)c1CN[C@@H]1CCC[C@H]1F 585385507 BXQQQECVOGMLBP-GHMZBOCLSA-N 212.268 2.272 0 40 BEAB Cc1cc2c(OC3CCSCC3)nccn2n1 585651762 HCZVKBIMDYWMAQ-UHFFFAOYSA-N 249.339 2.312 0 40 BEAB COC(=O)NCC(c1ccco1)c1ccco1 824155791 BHOZRIQBFNNDCF-UHFFFAOYSA-N 235.239 2.361 0 40 BEAB CCOC(=O)c1cc(-c2ccncc2F)on1 1857793975 IZHCWJBAMATJJA-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB Cc1ccc(OCC(=O)O)c(-c2ccno2)c1 113107 VCCXXKQGMSXFAD-UHFFFAOYSA-N 233.223 2.113 0 40 BEAB CC(C)CCOC(=O)C(=O)OCCC(C)C 1586328 HCUOPEBHVAVNIE-UHFFFAOYSA-N 230.304 2.165 0 40 BEAB in-vitro CC[C@]1(C)OC(=O)[C@H](c2ccccc2)O1 1687894 ZNXPDXFSIBVTGN-JQWIXIFHSA-N 206.241 2.427 0 40 BEAB CN1CC[C@H]2CN3CCc4cccc(c43)[C@H]2C1 2581413 YASBOGFWAMXINH-JSGCOSHPSA-N 228.339 2.098 0 40 BEAB in-vitro CC(C)NCc1nnc(-c2ccccc2)o1 3393981 KYCYPBXDPWNBQX-UHFFFAOYSA-N 217.272 2.235 0 40 BEAB in-vitro COc1cnc(-c2ccccc2)nc1OC 4050313 WEZMXXMSIFOFDN-UHFFFAOYSA-N 216.240 2.161 0 40 BEAB C[C@@H]1CC[C@]2(O)C(=O)CC[C@@H]3[C@@H]([C@H]12)C3(C)C 4104702 BEQYXBYLUJTQJC-QLNMZLMLSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro CC(C)CNCc1ccc2c(c1)OCO2 5817295 KEHJCUJFTGOGDQ-UHFFFAOYSA-N 207.273 2.161 0 40 BEAB CCSC(SCC)c1nc[nH]n1 5908878 BEWZYHQLGHUVRG-UHFFFAOYSA-N 203.336 2.310 0 40 BEAB CCCCC[C@@H](C)NC(=O)[C@H]1CCCO1 6042419 HUOJFXFCPQZHQO-GHMZBOCLSA-N 213.321 2.250 0 40 BEAB c1ccc(CSc2ncccn2)nc1 6277108 OARMSWNYNKYQCE-UHFFFAOYSA-N 203.270 2.164 0 40 BEAB S=c1n(CN2CCCCC2)nc2ccccn12 6985521 IJRIJVWZKIJWSE-UHFFFAOYSA-N 248.355 2.309 0 40 BEAB O=COCc1ccc(N2CCCCC2)c(F)c1 11906998 VWLARTKMSKYYQA-UHFFFAOYSA-N 237.274 2.489 0 40 BEAB Cc1noc(C)c1CC(=O)Nc1ccccc1 12787643 RVXRJAMDKMLPPV-UHFFFAOYSA-N 230.267 2.473 0 40 BEAB O=Cc1ccc(O[C@H]2CCCCO2)cc1 13483575 QYKABQMBXCBINA-LBPRGKRZSA-N 206.241 2.405 0 40 BEAB Cc1cc(C)c2c(c1)cc(C(=O)O)n2C 13483695 UKHPIWGRRHIJFW-UHFFFAOYSA-N 203.241 2.493 0 40 BEAB CCc1ccc([C@H](C)NS(=O)(=O)CC)cc1 14219156 FZEFHXGTSQXXHV-JTQLQIEISA-N 241.356 2.249 0 40 BEAB Cc1ccc(-c2nc(O)c(C)c(=O)o2)cc1 16311176 FNUYAFMGXPAXEL-UHFFFAOYSA-N 217.224 2.024 0 40 BEAB Cc1ccc(F)c(NC(=O)c2ccc(=O)[nH]c2)c1 20298387 UXAYKSNIVRFHBB-UHFFFAOYSA-N 246.241 2.075 0 40 BEAB COc1ccc([C@@H]2C[C@H]2C(C)=O)c(OC)c1 31829280 XSDYVJPZXXGBHN-RYUDHWBXSA-N 220.268 2.396 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCC[C@H](CO)C2)c1 32720117 OGSDMJTVBXNFEF-ZDUSSCGKSA-N 247.338 2.148 0 40 BEAB CSCC(=O)N(C)[C@@H]1CCc2ccccc21 32905644 MOILPBVCKQCDKU-GFCCVEGCSA-N 235.352 2.495 0 40 BEAB Nc1ccc(Oc2ccc(C(=O)O)nc2)cc1 33866527 JDPFQRJKJJKOOH-UHFFFAOYSA-N 230.223 2.154 0 40 BEAB CCOC(=O)c1cccc(C(F)(F)F)c1N 37475372 YGNCADOJMFQRAS-UHFFFAOYSA-N 233.189 2.464 0 40 BEAB C[C@H](c1ccccc1)n1cccc(C(=O)O)c1=O 38540224 KHIJAVHPLSAGLB-SNVBAGLBSA-N 243.262 2.156 0 40 BEAB COCc1ccccc1I 39414086 UNLSSSIQXFBAQU-UHFFFAOYSA-N 248.063 2.438 0 40 BEAB O=C(CC[C@H]1CCCO1)Nc1nccs1 40505867 JHPXWMYHOCNKSJ-MRVPVSSYSA-N 226.301 2.041 0 40 BEAB COc1cccc([C@@H](CN)OC(C)C)c1 43030105 GSAAQNXSOJUTIG-GFCCVEGCSA-N 209.289 2.120 0 40 BEAB CCNC(=O)Nc1cccc(-n2cccn2)c1 48488821 ARPUOULFYYXVTG-UHFFFAOYSA-N 230.271 2.014 0 40 BEAB Cc1ccc(Cl)cc1N(C)CC(=O)O 49815520 CDUVBKAOTITIHS-UHFFFAOYSA-N 213.664 2.169 0 40 BEAB Cc1cccc(OC(F)F)c1NC(N)=O 69328812 ZSHYDXAILRKEBQ-UHFFFAOYSA-N 216.187 2.087 0 40 BEAB Cc1noc(C)c1CN[C@H](C)[C@@H](C)n1cccn1 69368798 NFPKGUAXOXIWSV-MWLCHTKSSA-N 248.330 2.227 0 40 BEAB C[C@@H](c1ccco1)N(C)C(=O)C1CCOCC1 71867150 HQNWXPVWYMPIRO-JTQLQIEISA-N 237.299 2.226 0 40 BEAB CC[C@H](OC)c1ccc(CC(=O)O)cc1 72220139 DJYWVDRVTBXZMH-NSHDSACASA-N 208.257 2.411 0 40 BEAB CC(C)=CCNC[C@H]1CCCN1c1cccnn1 72276731 FCSXADMPTFZLHG-CYBMUJFWSA-N 246.358 2.001 0 40 BEAB Oc1noc2c(Br)cccc12 84229431 OSNRZJKTIPYAMH-UHFFFAOYSA-N 214.018 2.296 0 40 BEAB CC(C)c1ccc([C@@H]2OC(=O)C[C@H]2C(=O)O)cc1 85394527 CTTGIKLEURGRPQ-YPMHNXCESA-N 248.278 2.499 0 40 BEAB O=C([C@H]1CCOC1)N1CCC2(CCCCC2)C1 89818551 GQFNRLCJNSLGGU-LBPRGKRZSA-N 237.343 2.206 0 40 BEAB CC(C)(C)C[C@@H](O)CN[C@H]1CCCSC1 95454557 SXCCVSNDJSAWEL-WDEREUQCSA-N 231.405 2.269 0 40 BEAB Cc1ccn(CCOc2cccc(F)c2)c(=O)c1 96428901 HJEPPGAOELUIRP-UHFFFAOYSA-N 247.269 2.375 0 40 BEAB CO[C@]1(C)CCN(Cc2ccccc2)C1 96511315 WEIZCDNJWXGFBP-CYBMUJFWSA-N 205.301 2.297 0 40 BEAB C1=CC[C@H](c2nc([C@@H]3CCOC3)no2)CC1 98019211 MZFGEGLAEUDSDJ-VHSXEESVSA-N 220.272 2.397 0 40 BEAB CC(=O)C1[C@H]2C=C[C@@H]3C(C(C)=O)[C@H]4C=C[C@H]1C4C23 101037329 WAFUAESYRJBJEJ-ZBJJLXSWSA-N 242.318 2.261 0 40 BEAB O=CO[C@@H]1C[C@@H]2CC(Br)=C[C@@H]1C2 104291738 BKXXZONWDXIKFB-ACLDMZEESA-N 231.089 2.237 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2cccc(F)c12 116937530 BYSGINJAXNGBJE-UHFFFAOYSA-N 235.214 2.053 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(C(=O)O)C1 212753235 CUHLFFVFLWVECZ-UFBFGSQYSA-N 243.303 2.155 0 40 BEAB O=C(O)c1n[nH]c(Cl)c1-c1ccccc1 215988148 KGKBMPMVSAGXTM-UHFFFAOYSA-N 222.631 2.428 0 40 BEAB O=C(O)c1ccc(Cc2ccc(F)cc2)[nH]1 216589581 HHUFVUFNGCFTLV-UHFFFAOYSA-N 219.215 2.443 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]12CCC[C@H](O)C2 606301397 ABXMAKMUBUVZOT-GXFFZTMASA-N 241.331 2.301 0 40 BEAB CNC[C@H]1CC[C@H](OC(F)(F)F)CC1 953032270 ZFLMBOAIGUWHFT-ZKCHVHJHSA-N 211.227 2.301 0 40 BEAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC 1775995667 DHALERDDLPIWAC-PHIMTYICSA-N 208.305 2.289 0 40 BEAB Cc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 105184 HRBCDVLFVGOSIC-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB Cc1ccc(Nc2ncnc3[nH]ncc23)cc1 1248426 TZIUGCYEFCFJRQ-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB Cc1ccc(Nc2ncnc3[nH]cnc23)cc1 1470178 AXANSSTWWGNFBL-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB CC(=O)c1cc(Cl)ccc1OCC(=O)O 1601872 JFCMQEKFMZAWJO-UHFFFAOYSA-N 228.631 2.006 0 40 BEAB c1ccc2c(CCNC3=NCCO3)cccc2c1 1638853 XKIIHBYDGWKACY-UHFFFAOYSA-N 240.306 2.358 0 40 BEAB CC(C)C(=O)[C@@H](CCN(C)C)c1ccncc1 1675590 BSSNGXCXABKDEC-ZDUSSCGKSA-N 234.343 2.342 0 40 BEAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O 3426713 UIJRPRUMUPALIN-UHFFFAOYSA-N 216.668 2.199 0 40 BEAB COc1ccc2c(=O)n3c(cc2c1)CCCC3 3847870 UMMUQRFSHHGJMJ-UHFFFAOYSA-N 229.279 2.346 0 40 BEAB biogenic COc1ccc2ccccc2c1CNC[C@@H](C)O 4695079 HSAXPYYRFTWYPS-LLVKDONJSA-N 245.322 2.319 0 40 BEAB Cc1ccc2c3c([nH]c2c1C)CCNC3 4975278 UOJZQJUDJNSMDZ-UHFFFAOYSA-N 200.285 2.430 0 40 BEAB C[C@]1(O)OC(=O)c2ccc3ccccc3c21 5889479 OYDHBYOLYPZHND-ZDUSSCGKSA-N 214.220 2.175 0 40 BEAB CN(C)CC[C@@H](O)c1ccc(Cl)cc1 6437083 GXYMVYGPHADUNW-LLVKDONJSA-N 213.708 2.325 0 40 BEAB O=C(NC1CC1)c1cc(-c2cccs2)[nH]n1 6736856 IYFTTYPJXOPOAY-UHFFFAOYSA-N 233.296 2.030 0 40 BEAB CC(=O)Nc1c(C(=O)O)n(C)c2cc(C)ccc12 8414209 PEPIQPAPJRNQDJ-UHFFFAOYSA-N 246.266 2.143 0 40 BEAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1 12913959 MHOFJBIBOVGCAB-ZYHUDNBSSA-N 218.300 2.390 0 40 BEAB c1ccc2c(Cc3nnn[nH]3)csc2c1 15043114 POEQOXOSQPCWQD-UHFFFAOYSA-N 216.269 2.005 0 40 BEAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3)ccc12 19695602 PQHUWISIZFANOX-SNVBAGLBSA-N 245.330 2.203 0 40 BEAB COc1ccc(OC)c([C@@H]2C[C@@H]2[C@@H](C)N)c1 20594414 DPZMVJPIWKFHMT-FBIMIBRVSA-N 221.300 2.155 0 40 BEAB C1=CC2=CC=C[C@H](CC3=NCCN3)[C@H]2C=C1 21983101 ZJSGEQUSOJAXBX-OLZOCXBDSA-N 212.296 2.233 0 40 BEAB C[C@H](CCCC(C)(C)O)Nc1ncccn1 22034742 YBMRTWVXIVWCON-SNVBAGLBSA-N 223.320 2.218 0 40 BEAB COC(=O)CC(C)(C)c1ccc(N)cc1 26507014 DQUIBYVBGPLDKE-UHFFFAOYSA-N 207.273 2.110 0 40 BEAB C[C@H](NC(=O)CC(C)(C)C)c1cnn(C)c1 27919792 AEXDJYZSZKSYNW-VIFPVBQESA-N 223.320 2.034 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCCO 34676161 KAQXLSAOMMGBQJ-FRRDWIJNSA-N 213.365 2.419 0 40 BEAB Cc1cccc(Nc2ccc(C(N)=O)cc2N)c1 35059427 XQNGEKUBQOWLFF-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@H](CO)[C@@H](C)CC 35066901 ZOKXIFXOULCJPE-GUBBLXHUSA-N 225.332 2.032 0 40 BEAB biogenic,in-vitro Cn1ccnc1S[C@@H]1CCCCC1=O 35182517 YMXPXLBABUWMLL-SECBINFHSA-N 210.302 2.024 0 40 BEAB CC(=O)Nc1cccc(CCCC(=O)O)c1 36047418 NRPQODVUAOZBSI-UHFFFAOYSA-N 221.256 2.052 0 40 BEAB COc1ccc(F)cc1-c1cc(C(=O)O)no1 36163927 JQNVEOMCDQUVKD-UHFFFAOYSA-N 237.186 2.188 0 40 BEAB COc1ccccc1NC(=O)c1cc(C)no1 36562132 OGGNHIRLPCLDAC-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB CC[C@H](NCC(OC)OC)c1ccccc1 37473007 PQSZTUYTKQNOMF-LBPRGKRZSA-N 223.316 2.346 0 40 BEAB in-vitro N#CC1(C#N)O[C@H]1c1cccc(Cl)c1 39252263 QHTCMUIWJSESBR-VIFPVBQESA-N 204.616 2.197 0 40 BEAB COC(=O)c1cc(N)ccc1N1CCCCC1 41082156 GDVWBKZDTDVVAL-UHFFFAOYSA-N 234.299 2.046 0 40 BEAB CC1CCN(C(=O)c2ccc(C=O)cc2)CC1 41257406 XGAIUTIPDHINOA-UHFFFAOYSA-N 231.295 2.371 0 40 BEAB CC1CCN(CCCNC(=O)C(C)(C)C)CC1 41997427 CKANGYVHQMLIOU-UHFFFAOYSA-N 240.391 2.271 0 40 BEAB COC(=O)c1c[nH]cc1-c1ccc(OC)cc1 45165712 SNPZBIFBTYWMBI-UHFFFAOYSA-N 231.251 2.477 0 40 BEAB CN[C@H](CN)c1cccc(Cl)c1Cl 50269921 AWDHXXBQVMIWJJ-MRVPVSSYSA-N 219.115 2.213 0 40 BEAB COC(=O)c1cc(C(C)(C)C)cc(N)c1OC 57339225 JRVCVQAUOSSRGT-UHFFFAOYSA-N 237.299 2.362 0 40 BEAB O=C(O)c1ccc(OCc2ccccc2F)nc1 69282989 WLPVABYOBICUEN-UHFFFAOYSA-N 247.225 2.498 0 40 BEAB CN(C)[C@H](CO)c1ccccc1C(F)(F)F 70453362 OKZBZJBHUQDSAB-SNVBAGLBSA-N 233.233 2.300 0 40 BEAB CCOc1nccc(Br)c1C=O 71256321 JUIKXRDQXILAGK-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB O=C(CSCc1ccco1)NCC1CCC1 71916015 RYZNYZPFACOWFZ-UHFFFAOYSA-N 239.340 2.429 0 40 BEAB CC[C@H](N)c1ccc(N(CC)CC)nc1 72225264 QXNQUNJBCNERFR-NSHDSACASA-N 207.321 2.338 0 40 BEAB COc1cc(OC)c2cc(CCCN)[nH]c2c1 74941972 OVQYYNYAAZGFNI-UHFFFAOYSA-N 234.299 2.076 0 40 BEAB in-vitro Nc1cc(Br)c(F)cc1S 85106456 HFLXHEBQRCXTDC-UHFFFAOYSA-N 222.082 2.459 0 40 BEAB Cc1cnc2c(Br)cccn12 89202201 NIXDDCLNGVQVBF-UHFFFAOYSA-N 211.062 2.405 0 40 BEAB CC(=O)N1CCSC[C@H]1c1ccccc1 95397552 YBIQAAKNELYETE-LBPRGKRZSA-N 221.325 2.323 0 40 BEAB CC(C)[C@@H](C)SCC(=O)NC1CCOCC1 95403420 OHTORKHJMNGYBX-SNVBAGLBSA-N 245.388 2.059 0 40 BEAB Brc1nsc2ncccc12 95830817 IIMUTYICKDDXKT-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB CCOCC(=O)N[C@@H]1CCCC[C@H]1SCC 96456051 QJSWIDIUTOJGKL-GHMZBOCLSA-N 245.388 2.203 0 40 BEAB CCn1cccc1-c1noc([C@@H]2CCCNC2)n1 96531612 DNFPDPZFCCIGLO-SNVBAGLBSA-N 246.314 2.025 0 40 BEAB COCCCNC(=O)CCc1ccc(C)c(C)c1 96621720 CXOPDSDNJNYJRP-UHFFFAOYSA-N 249.354 2.389 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 97033036 DMEPGCHETNRYHJ-MWLCHTKSSA-N 241.306 2.256 0 40 BEAB CCn1cc(C(=O)OCC(C)(C)SC)cn1 97033214 OOGXKULMXMKODA-UHFFFAOYSA-N 242.344 2.201 0 40 BEAB O=C(C[C@H]1C=CCC1)NC1CCC(CO)CC1 97371190 GPZJVQAJCNXXLI-HIFPTAJRSA-N 237.343 2.010 0 40 BEAB c1ccc(CN2CCC[C@H]2[C@H]2CCCN2)cc1 101271516 XSMYNCCUVCACAS-CABCVRRESA-N 230.355 2.403 0 40 BEAB in-vitro Cc1cc(NCC2(C)CCOCC2)no1 158663117 WQPFFBZALYUTCE-UHFFFAOYSA-N 210.277 2.212 0 40 BEAB O=C(NCCC1=CCCCC1)c1cnco1 169942245 IFUSPBKTDGJUHY-UHFFFAOYSA-N 220.272 2.295 0 40 BEAB CCCC[Sn]Cl 195765729 AAZXYDTXKRXEHM-UHFFFAOYSA-M 211.280 2.063 0 40 BEAB CC(=O)c1ccc([C@@H]2CCNC(=O)C2)c(F)c1 199776180 DOBQNDFTPPYWTG-SNVBAGLBSA-N 235.258 2.022 0 40 BEAB O=Cc1cc2nc[nH]c2cc1Br 213627979 OFUGPSCYNJWVHM-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB CCOCCCNC(=O)Cc1ccc(C)cc1C 224501467 XOSBNXJBHBHDRJ-UHFFFAOYSA-N 249.354 2.389 0 40 BEAB COCCCn1cccc1C1=NCCC1 225307322 OGINDOWGABYDPF-UHFFFAOYSA-N 206.289 2.108 0 40 BEAB Cc1c[nH]c([C@@H]2CCCN2c2ccnc(C)n2)n1 257220868 DMNLVLXVRTWZTK-NSHDSACASA-N 243.314 2.158 0 40 BEAB Cc1ncc(Br)c(C(F)F)n1 258181279 IZLYMHSEUMYYAP-UHFFFAOYSA-N 223.020 2.485 0 40 BEAB CCOc1ccc(C2(C(=O)OC)CC2)cc1 258552366 RBRMGMKPKRHVNG-UHFFFAOYSA-N 220.268 2.290 0 40 BEAB CCOn1c(-c2ccccc2)nc(C)c1C(=O)O 575410926 NMFGIQCGIVDAMG-UHFFFAOYSA-N 246.266 2.005 0 40 BEAB CS(=O)(=O)c1c(F)cccc1C(F)(F)F 604221829 XDKNPKVSQMZYCZ-UHFFFAOYSA-N 242.193 2.248 0 40 BEAB CCCC(=O)Nc1ccc(NC(=O)C(C)C)cn1 1358332 FDPCETBTSOBPQH-UHFFFAOYSA-N 249.314 2.415 0 40 BEAB CC(=O)Nc1ccc(Oc2ncccn2)cc1 1401994 DXVKZDBYLFVMFB-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB Cc1cc(C)n2ncc(Br)c2n1 1608345 WUPBXHOKESCXBJ-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 3723267 RCBHJDMPHQLQTR-UHFFFAOYSA-N 229.070 2.361 0 40 BEAB in-vitro O=C(O)c1c[n+]([O-])ccc1Sc1ccccc1 3844332 VDCDCKRDCHTUGK-UHFFFAOYSA-N 247.275 2.169 0 40 BEAB CCO/C=C1/C(=O)N(CC)c2ccccc21 4338785 RTZIWVNYSWFJKW-PKNBQFBNSA-N 217.268 2.431 0 40 BEAB Cc1cc(C)c2c(O)nn(C(C)C)c2n1 4383661 QOYUOAZWTCZDTG-UHFFFAOYSA-N 205.261 2.335 0 40 BEAB O=C(O)[C@@H](c1ccccc1)[C@@H]1CCCC[C@@H]1O 4720844 OYCGDTUIPZFBRJ-AGIUHOORSA-N 234.295 2.406 0 40 BEAB CC(C)OCCCNC(=O)Cc1ccccc1 6859568 NWQQENUSUOTLHG-UHFFFAOYSA-N 235.327 2.160 0 40 BEAB CCNC(=S)N1CCCc2ccccc21 6870001 LLVDMYARJDGYDC-UHFFFAOYSA-N 220.341 2.334 0 40 BEAB CCOCCCNC(=O)c1cc2ccccc2[nH]1 12948637 HSINPUCOFLNSIF-UHFFFAOYSA-N 246.310 2.324 0 40 BEAB Cc1ccc2nc(CC3CCNCC3)[nH]c2c1 15423956 RCMPOZKCQBGFTC-UHFFFAOYSA-N 229.327 2.413 0 40 BEAB C[C@H]1CNC[C@@H](C)N1CCc1ccc(F)cc1 22911496 YHEJSJMRHMGUTB-TXEJJXNPSA-N 236.334 2.050 0 40 BEAB CC(=O)N1CCSc2ccccc2C1 34343434 UREQFTSPNGUYSJ-UHFFFAOYSA-N 207.298 2.141 0 40 BEAB NS(=O)(=O)C1c2ccccc2-c2ccccc21 34385125 OLFSQHLHURGLQI-UHFFFAOYSA-N 245.303 2.045 0 40 BEAB c1ccc(OCCCNCc2cccnc2)nc1 35287323 BAHYTCQMWYIZNL-UHFFFAOYSA-N 243.310 2.035 0 40 BEAB COCC(=O)N[C@H](C)c1ccc(Cl)cc1 36405547 FMLWJGRHNGEWOI-MRVPVSSYSA-N 227.691 2.164 0 40 BEAB CCOC(=O)c1ccc(N(CC)CC)c(N)c1 41079738 FIRCWGQINZGGCY-UHFFFAOYSA-N 236.315 2.292 0 40 BEAB OC[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 42434686 ZMQNJFPZLDLYEF-VIFPVBQESA-N 246.232 2.062 0 40 BEAB CON(C)C(=O)/C=C/c1ccc(Cl)cc1 47219242 XFIVPYBTCRZLIR-VMPITWQZSA-N 225.675 2.373 0 40 BEAB O=Cc1cccc(OCc2noc(C3CC3)n2)c1 49337385 SIKKIGVJGHPWOU-UHFFFAOYSA-N 244.250 2.339 0 40 BEAB CCc1c(O)[nH]c2cc(C)cc(C)c2c1=O 55142569 BMDLYMLRGRZGPA-UHFFFAOYSA-N 217.268 2.413 0 40 BEAB biogenic,in-vitro C[C@@H](N)CCNC(=O)c1csc2ccccc12 63169882 YKEKSENTVHAWQH-SECBINFHSA-N 248.351 2.368 0 40 BEAB O=C(O[C@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@@H]1C2 71789815 MHUBFPQGHSPRRB-QCNOEVLYSA-N 222.284 2.268 0 40 BEAB CC(C)(C)C(=O)CNC(=O)c1ccccc1 72206831 RPFJCSWJKZWLPJ-UHFFFAOYSA-N 219.284 2.032 0 40 BEAB O=C(c1ccccc1)N1CCN[C@@H]2CCCC[C@H]21 72210179 YKGRKMSDSHKIMV-ZIAGYGMSSA-N 244.338 2.043 0 40 BEAB CNc1ccc([C@H]2CCCCN2)c(C)n1 72219113 KPQMUSMIGUCFTA-LLVKDONJSA-N 205.305 2.246 0 40 BEAB Cc1ccc(O[C@H](C)CNC(=O)NC2CC2)cc1 76066434 UTEHFWVHLMMWAD-LLVKDONJSA-N 248.326 2.224 0 40 BEAB CC[C@H](C(=O)Nc1cccc(F)c1)N(C)C 84718772 NOZZBOYFLIREOX-LLVKDONJSA-N 224.279 2.104 0 40 BEAB Cc1cccc(CNCc2ccon2)c1 86452666 WFYMIYBSHQTNPY-UHFFFAOYSA-N 202.257 2.273 0 40 BEAB CCOC(=O)CSc1cccc(F)c1 87111794 PSKSRGJUHTYQFN-UHFFFAOYSA-N 214.261 2.481 0 40 BEAB COCSc1nccn1C(C)(C)C 88499911 RVIIVONKUOYWCR-UHFFFAOYSA-N 200.307 2.334 0 40 BEAB CCOc1ncc(Br)cc1C=O 90411447 IWFFRHAMYDGMIW-UHFFFAOYSA-N 230.061 2.055 0 40 BEAB in-vitro CC[C@@H](NC1CCSCC1)c1noc(C)n1 96493698 KWJCQKMBQPTQIG-SNVBAGLBSA-N 241.360 2.314 0 40 BEAB COCC[S@](=O)CCCC1CCCC1 97016403 SMTSXPZQKUEYKO-AWEZNQCLSA-N 218.362 2.352 0 40 BEAB CCn1nc(C)c(N[C@H]2CCSC2)c1C 97046020 VPPHYSTULYYONV-JTQLQIEISA-N 225.361 2.437 0 40 BEAB Cc1ncccc1CNc1nc(C(C)C)nn1C 97147962 DUNTYTHJJDSXSO-UHFFFAOYSA-N 245.330 2.254 0 40 BEAB C[C@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CCC(=O)O 103612232 KXIHOSNFVBVESP-XPXLGCRWSA-N 212.289 2.038 0 40 BEAB O=C1c2cc(Cl)ccc2CC12CCNCC2 2362801412 DFIBCWSUJNGIBD-UHFFFAOYSA-N 235.714 2.449 0 40 BEAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3C)cc1 1581733 NJNIMTINFXBEKA-NNQSOWQGSA-N 247.338 2.139 0 40 BEAB CC(C)(CC(=O)Nc1ccccc1)C(=O)O 1654104 HEOAVFYVUJGKOR-UHFFFAOYSA-N 221.256 2.126 0 40 BEAB in-vitro CCC[C@H](C)C(C(=O)OCC)C(=O)OCC 2043956 RQFSNEWORATSCC-VIFPVBQESA-N 230.304 2.165 0 40 BEAB in-vitro Cc1cc(NN)nc2ccc(Cl)cc12 3445791 DMGKVZOWCYLRCW-UHFFFAOYSA-N 207.664 2.482 0 40 BEAB in-vitro COc1ccc([C@@H](O)[C@@H](O)c2ccccc2)cc1 3852412 JDBJGKZPEUFETH-LSDHHAIUSA-N 244.290 2.462 0 40 BEAB biogenic C[C@H](Cc1ccccc1F)N1CCC[C@H](O)C1 4021305 TUISGIQGIFZXPD-YPMHNXCESA-N 237.318 2.213 0 40 BEAB NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C=C[C@H]1C2 4934290 BKESXHFXVXCRRP-VOAKCMCISA-N 213.280 2.078 0 40 BEAB O=C(NCc1ccccn1)[C@H]1C[C@H]2CC[C@@H]1C2 5044991 WPKAHZWKGMWFDM-LOWVWBTDSA-N 230.311 2.134 0 40 BEAB C[C@H]1Cc2cc(/C=C/C(=O)O)ccc2O1 9237859 LEVLLAUMDRPDCY-WGAJWPLOSA-N 204.225 2.108 0 40 BEAB CCn1cc(-c2nc3ccccc3[nH]2)cn1 12397141 ZPTIMFYMSBXCHQ-UHFFFAOYSA-N 212.256 2.446 0 40 BEAB C[C@H]1CN(c2ncnc3sccc23)C[C@@H](C)O1 12410513 LCEVDAZWVBWVKB-DTORHVGOSA-N 249.339 2.305 0 40 BEAB Cc1cc(C(=O)O)ccc1NC(=O)C1CC1 13391072 DRWTXCOLGMLWRN-UHFFFAOYSA-N 219.240 2.042 0 40 BEAB CC(C)CNC(=O)c1ccnc(Cl)c1 19813389 KQNNEIJNGSZQHZ-UHFFFAOYSA-N 212.680 2.121 0 40 BEAB CCc1cc(OCC(=O)O)ccc1Cl 21952195 VZVWRUYGCCOFBH-UHFFFAOYSA-N 214.648 2.366 0 40 BEAB O=C(O)[C@H]1SCCc2sccc21 34091187 LJDDCXKISNJWCA-ZETCQYMHSA-N 200.284 2.163 0 40 BEAB in-vitro CC(C)(C)Oc1cnc(Br)cn1 35635808 VQXSMBFFWDPCNI-UHFFFAOYSA-N 231.093 2.416 0 40 BEAB CCONC(=O)CSCc1cccc(C)c1 40489436 MKVQTERBZSMYTH-UHFFFAOYSA-N 239.340 2.296 0 40 BEAB C[C@H]1CN(c2ncnc3ccccc23)C[C@@H](C)O1 41476127 NONTWCXZCNNCBF-PHIMTYICSA-N 243.310 2.243 0 40 BEAB CC(C)[C@@H](C)NC(=O)Cc1cccs1 41902818 VTWXLVVSVJAGPN-SECBINFHSA-N 211.330 2.451 0 40 BEAB NCCSc1ncccc1C(F)(F)F 43224399 FNTDNZCDAPPWTI-UHFFFAOYSA-N 222.235 2.151 0 40 BEAB CC(C)CNC[C@@H](C)C(=O)OC(C)(C)C 47219024 YSMXRFSECCIZNS-SNVBAGLBSA-N 215.337 2.210 0 40 BEAB CCn1nc(C)c2nc(C)nc(NC3CC3)c21 57312588 SKQFLMKSYKBDJS-UHFFFAOYSA-N 231.303 2.037 0 40 BEAB CCCCCNCc1cnc(SC)nc1 62717217 XFASHJPWLPCNOH-UHFFFAOYSA-N 225.361 2.478 0 40 BEAB CCOC(=O)Cc1cncc2ccccc12 68949079 JXHUMVOVOPHNEX-UHFFFAOYSA-N 215.252 2.340 0 40 BEAB CC(C)=CC(=O)N[C@H](C)c1cccnc1 69347744 NFFHVXGSBUCHMT-SNVBAGLBSA-N 204.273 2.225 0 40 BEAB N=C(N)NCCc1cc(Cl)cc(Cl)c1 69656037 MXERCPAYAWRJDF-UHFFFAOYSA-N 232.114 2.019 0 40 BEAB CONC(=O)NCC[C@@H]1CCC[C@@H](C)C1 71909181 YJJKEYWOCMMEGS-ZJUUUORDSA-N 214.309 2.063 0 40 BEAB CCN(CC)c1ncc(C(=O)OC)cc1C 72222216 WKUNVCYEOYHMTM-UHFFFAOYSA-N 222.288 2.023 0 40 BEAB FC(F)(F)c1cc(C2CC2)nc2ncnn12 72334097 PLGOUPPLPDAFTJ-UHFFFAOYSA-N 228.177 2.021 0 40 BEAB COCCCNC(=O)c1cc(C)c(C)cc1C 74951566 MFZVNHTVPQVXGP-UHFFFAOYSA-N 235.327 2.378 0 40 BEAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)COC 78228063 SHTCUOPJGKLMTR-CQSZACIVSA-N 249.354 2.421 0 40 BEAB CC[C@@H](C)[C@](C)(O)CNc1ccccn1 79002719 OBFAPYFPDNKHGS-ZYHUDNBSSA-N 208.305 2.291 0 40 BEAB C[C@H](N)C1CCN(c2ncccc2Cl)CC1 82475202 XAAXDPVADPCTPT-VIFPVBQESA-N 239.750 2.299 0 40 BEAB O=C(O)C[C@H](c1ccccc1)c1ncc[nH]1 82535254 HPPDDWHMYRPDSI-SNVBAGLBSA-N 216.240 2.016 0 40 BEAB CC(C)(C)OC(=O)N1[C@H](CN)CCC1(C)C 83069722 WEVUWHRKMLMMGE-VIFPVBQESA-N 228.336 2.123 0 40 BEAB O=C(O)C1(COCc2ccccc2)CC1 85390288 MFGBZERSMBJZAL-UHFFFAOYSA-N 206.241 2.068 0 40 BEAB Cc1ccc(F)c2nc(C(=O)O)ccc12 85399950 ZVMMDEZJYVNONL-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB Cc1[nH]ncc1C(=O)N1CCC[C@H]2CCC[C@H]21 87782138 PXLOMUMDRSEITK-ZYHUDNBSSA-N 233.315 2.123 0 40 BEAB CCOC(=O)c1ccc(C=O)cc1Cl 91305054 QXLKYNGVQIZQKY-UHFFFAOYSA-N 212.632 2.329 0 40 BEAB in-vitro O=C(OCC[C@H]1CCCO1)c1ccsc1 96453080 DJVCNSFVRWXGHD-SNVBAGLBSA-N 226.297 2.474 0 40 BEAB O=c1cc(-c2ccc(Cl)cc2)nc[nH]1 96530913 CWNYBSFKUYMXCM-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB CC(=S)N/C=C/c1nc2ccccc2nc1O 104303789 SFWHYIDTYDYBCW-VOTSOKGWSA-N 245.307 2.243 0 40 BEAB O=C(NC1CC1)c1conc1-c1ccccc1 225870528 DTDDCRBLGVQCIX-UHFFFAOYSA-N 228.251 2.234 0 40 BEAB CCN(C(=O)[C@@H]1CC1(F)F)c1cccnc1 336240727 AKMLBEWVMYGDEB-VIFPVBQESA-N 226.226 2.090 0 40 BEAB O=C(O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21 521399599 JZLKUPNAUQTSJI-UJNFCWOMSA-N 208.644 2.310 0 40 BEAB in-vitro C[C@@H](Oc1nc2cccnc2n1C)C(F)(F)F 585654842 NBVHTZAVKGBDBG-ZCFIWIBFSA-N 245.204 2.298 0 40 BEAB Cc1cc(CN2CCC[C@@H](CF)C2)no1 880233385 BZEHEWAWNAYBRP-JTQLQIEISA-N 212.268 2.165 0 40 BEAB CCCc1c(O)ccc2c(=O)cc(C(=O)O)oc12 133107 NMDHZMHZYAXOFC-UHFFFAOYSA-N 248.234 2.149 0 40 BEAB in-vitro Cc1cnc(C(=O)NCC2CCCCC2)cn1 411102 AEGBNQLYBFIZTD-UHFFFAOYSA-N 233.315 2.095 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)O 5275371 UJNOLBSYLSYIBM-DDHJBXDOSA-N 228.332 2.371 0 40 BEAB biogenic O=C(CSc1ccccn1)c1ccc[nH]1 8390271 DCTCNFFRIOHXTL-UHFFFAOYSA-N 218.281 2.385 0 40 BEAB Brc1ccc2cccnc2n1 8435710 BCMGOTDNNMLUBS-UHFFFAOYSA-N 209.046 2.392 0 40 BEAB in-vitro O=c1cccc([C@H]2CCc3cc(O)ccc3C2)[nH]1 8615489 JGEYQYCTIZLFCB-LBPRGKRZSA-N 241.290 2.353 0 40 BEAB in-vitro COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C)c1 9908503 CSXKFQVJPQVANQ-WCBMZHEXSA-N 235.283 2.298 0 40 BEAB Cc1nc2onc(C)c2c(C(=O)O)c1Cl 12396203 AUVXGRFMAOVWRA-UHFFFAOYSA-N 226.619 2.191 0 40 BEAB CCC(=O)N(c1nnc(SC)s1)C1CC1 12972727 YEIGPZQPHQLKPH-UHFFFAOYSA-N 243.357 2.165 0 40 BEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC1 12973780 LBNVPAAUYPLUCG-VIFPVBQESA-N 239.702 2.340 0 40 BEAB Nc1cccc(COCC(F)(F)F)c1 19402831 IQNICUMDZICMBN-UHFFFAOYSA-N 205.179 2.348 0 40 BEAB in-vitro CNCC(=O)Nc1cc(Cl)cc(Cl)c1 19422394 ZAHGUWVJLMUFSW-UHFFFAOYSA-N 233.098 2.151 0 40 BEAB Cc1[nH]cnc1CN(C)CCc1ccccc1 23281874 KTEKDOYFRMJAOW-UHFFFAOYSA-N 229.327 2.393 0 40 BEAB Cc1ccc(CNC(=O)C2CCCC2)n1C 23574596 GMYRPYPONVBXHD-UHFFFAOYSA-N 220.316 2.140 0 40 BEAB COC(=O)c1ccc2c(C(C)=O)c[nH]c2c1 26423451 SOWMOAHQIUXOTC-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB in-vitro Cc1cc(C)cc(NC(=O)[C@H](C)n2cncn2)c1 27581190 APIBGVAZBXKCFW-NSHDSACASA-N 244.298 2.095 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccs1 33000381 KWTJHNWOGRMQMV-WPRPVWTQSA-N 209.314 2.363 0 40 BEAB C[C@H]1CN(Cc2nc3ccccc3o2)[C@H](C)CO1 36390307 CINYJUGTPIFJQO-MNOVXSKESA-N 246.310 2.437 0 40 BEAB Cc1ccc(CN[C@@H]2CCCCNC2=O)c(C)c1 36976757 XFIJDLPXGMJAOW-CQSZACIVSA-N 246.354 2.062 0 40 BEAB O=C(NCc1cccs1)Nc1cccnc1 40474220 GJAIVOIPVICWIP-UHFFFAOYSA-N 233.296 2.465 0 40 BEAB CNC[C@@H]1C[C@@H]1c1cccc(OC)c1OC 54588716 VGQQRYRFCGMFFP-ONGXEEELSA-N 221.300 2.027 0 40 BEAB CC[C@H](C)C(=O)NC[C@H](c1ccco1)N(C)C 55276408 UESRQGCIGBGURF-WDEREUQCSA-N 238.331 2.045 0 40 BEAB COc1ccc2c(c1)CC[C@@]2(O)C(F)(F)F 60041898 ITSJGTVWYFIFMW-JTQLQIEISA-N 232.201 2.391 0 40 BEAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2O 67665121 PPQHNULBCSHICE-CYBMUJFWSA-N 227.263 2.156 0 40 BEAB in-vitro COc1ccc(-n2cnc(Cl)c2CO)cc1 69949500 SRSMGTNTATUPEO-UHFFFAOYSA-N 238.674 2.027 0 40 BEAB CCOCC(=O)O[C@@H]1CCc2ccccc2C1 71803842 IKFGIACMTBWNRR-CYBMUJFWSA-N 234.295 2.124 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1F 71899796 NPSFRUGKWZCSFS-GZMMTYOYSA-N 239.265 2.280 0 40 BEAB CCOc1ccc(C(=O)O[C@H]2CCOC2)cc1 72270455 DKBBAOXUPWDUJA-LBPRGKRZSA-N 236.267 2.031 0 40 BEAB CCCNC[C@@H]1CCCN2CCCC[C@H]12 72323938 ZFTMSBRKTZIYBZ-QWHCGFSZSA-N 210.365 2.251 0 40 BEAB biogenic O=C(NCC1CC1)c1cn[nH]c1-c1ccccc1 72328826 FSHMGHPWJINTHQ-UHFFFAOYSA-N 241.294 2.217 0 40 BEAB CCOc1cc(N)ccc1NC(=O)C(C)C 73638385 FZNRENZRLFWDFF-UHFFFAOYSA-N 222.288 2.262 0 40 BEAB C[C@@H](NC(=O)NCC1CCCC1)C1CC1 78554371 IJJUZCZRFNSNTD-SECBINFHSA-N 210.321 2.274 0 40 BEAB FC(F)(F)C1CCN(c2ncccn2)CC1 78558603 HUKAPUCINNBJOG-UHFFFAOYSA-N 231.221 2.255 0 40 BEAB Cc1[nH]ncc1CCCN[C@H]1CCC[C@H]1C 83391138 PAHRWGZBVBGBER-MFKMUULPSA-N 221.348 2.429 0 40 BEAB Cc1cc(C)n(-c2nc(C3CC3)ns2)n1 87644516 MHBJLPDZJVMORU-UHFFFAOYSA-N 220.301 2.218 0 40 BEAB C[C@@H]1c2ccccc2CCN1CCC(=O)O 89941515 MYLNJKDJGSTGEQ-SNVBAGLBSA-N 219.284 2.080 0 40 BEAB O=C(O)c1ccc2c(c1)O[C@@H](F)C(F)(F)O2 91252161 LHILZLOMAYUYCH-MRVPVSSYSA-N 234.129 2.044 0 40 BEAB C[C@@H]1C[C@@H](CNC(=O)Nc2cccnc2)CCO1 95457622 KBLYHTUHHRWCNZ-MNOVXSKESA-N 249.314 2.018 0 40 BEAB COC(=O)c1ccc(C(C)=O)c(Cl)c1 95933588 WMNKSBMREWKDFV-UHFFFAOYSA-N 212.632 2.329 0 40 BEAB CC[C@H]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228310 KPHBFEWYDGQDKB-WUHRBBMRSA-N 209.333 2.092 0 40 BEAB CCn1cc(C(=O)Nc2ccc(O)cc2F)cn1 97237008 CBCLANRFVFZZEG-UHFFFAOYSA-N 249.245 2.000 0 40 BEAB CCOc1cccc(OCC)c1CC(=O)O 106679902 TUWDRUIOLQIWRA-UHFFFAOYSA-N 224.256 2.111 0 40 BEAB CCc1nc2cc(CCC(=O)OC)ccc2[nH]1 217767641 UMIHYDHGVVHOOP-UHFFFAOYSA-N 232.283 2.231 0 40 BEAB COCCCN(C)C(=O)N1CCCC[C@H](C)C1 225538997 LXMKWMOUNLDYSJ-LBPRGKRZSA-N 242.363 2.197 0 40 BEAB CCn1c(Cl)nc2cc(C(=O)NC)ccc21 225986480 QQMOASNVJHUSNR-UHFFFAOYSA-N 237.690 2.069 0 40 BEAB CNc1ccc(N2CCC(C)CC2)c(C(N)=O)c1 226279586 QZVGJCJALAIXNA-UHFFFAOYSA-N 247.342 2.064 0 40 BEAB COc1cc2onc(Cl)c2cc1OC 258005755 MJIQQNGRKADMQA-UHFFFAOYSA-N 213.620 2.498 0 40 BEAB Cc1cccc2nc(N(C)CCO)sc12 280114763 VXTIGENCDFLGCY-UHFFFAOYSA-N 222.313 2.033 0 40 BEAB CCOC(=O)c1cc(F)c(Br)cn1 306516293 BNKDWTORBYKSRE-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB C[C@H]1CCN(C[C@@H](O)COC(C)(C)C)[C@@H](C)C1 390835242 HLHSQINHTMRRBY-RWMBFGLXSA-N 243.391 2.283 0 40 BEAB CC(=O)Oc1ccc(-c2ccc(F)cc2)nn1 408530955 STIAPWXUOCCOHJ-UHFFFAOYSA-N 232.214 2.208 0 40 BEAB FC(F)(F)c1cc(Cl)c2ncnn2c1 616568969 JXPYJRMOJOOFBV-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB Cc1cc(C)nc(NCc2cccnc2)n1 150085 WISGCXYXGWFJDH-UHFFFAOYSA-N 214.272 2.101 0 40 BEAB Nc1c(Br)ccc2nsnc12 973684 ZPTMCCNDLRKYHB-UHFFFAOYSA-N 230.090 2.036 0 40 BEAB CCOC(=O)c1ccnc2ccc(O)cc12 1635598 ANOFGUQZSIOGBH-UHFFFAOYSA-N 217.224 2.117 0 40 BEAB OCCNCc1ccc(Cl)cc1Cl 1665961 YFFGFHQGTBUTBP-UHFFFAOYSA-N 220.099 2.075 0 40 BEAB C[C@H]1C[C@@H](O)[C@H](C)CN1Cc1ccccc1 4697435 LDTHAFXMNUJREZ-MBNYWOFBSA-N 219.328 2.278 0 40 BEAB CNC[C@H](O)COc1cc(C)ccc1C(C)C 9970643 QHTMNRCPLRGNEZ-LBPRGKRZSA-N 237.343 2.078 0 40 BEAB O=C(c1coc(Br)c1)N1CCCC1 12985052 PLZMEBSTEBVYQL-UHFFFAOYSA-N 244.088 2.278 0 40 BEAB O=C(O)C(=O)c1c[nH]c2c(Cl)cccc12 19772470 LXIZWULUTDOOSU-UHFFFAOYSA-N 223.615 2.089 0 40 BEAB O=C(O)c1cnc(N2CCCCC2)c(Cl)c1 19845253 JZEIHLHIXZDYCX-UHFFFAOYSA-N 240.690 2.424 0 40 BEAB Cc1cc(N)cc(-c2nc3cnccc3o2)c1O 20158668 YGCMHTGASPNPEF-UHFFFAOYSA-N 241.250 2.486 0 40 BEAB COc1ccc(CNc2cnn(C)c2)cc1OC 20350272 WALSEFOXSSAFQJ-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB CC(C)Cn1cnc2cc(C(=O)O)ccc21 20557292 PMGZJMOWYVYJAU-UHFFFAOYSA-N 218.256 2.391 0 40 BEAB O=C(Nc1ccccc1Cl)c1cccnn1 22073136 XJJQRYYEEJRUIQ-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB C[C@@H]1[C@H]2CCCN2CCN1Cc1cccs1 22078248 CHGSFJMZJTVQHP-DGCLKSJQSA-N 236.384 2.417 0 40 BEAB CCCn1cc(C(=O)O)c(=O)c2cc(C)ccc21 26507987 NYVQXNSADABIKL-UHFFFAOYSA-N 245.278 2.418 0 40 BEAB CCCCNC(=O)Nc1nnc(C2CC2)s1 28225532 ROVHWNJIQIZPPO-UHFFFAOYSA-N 240.332 2.337 0 40 BEAB CN[C@@H]1CCOc2ccc(Br)cc21 35657571 CDYBISOIWYTNHD-SECBINFHSA-N 242.116 2.492 0 40 BEAB CC(=O)NCc1ccc(-n2cccc2)cc1 36612216 MUODWKAHYQCJBK-UHFFFAOYSA-N 214.268 2.113 0 40 BEAB Cc1nc2ccccc2n1[C@@H]1CCC[C@@H]1O 37489907 BMHILEJFLIAHKZ-OLZOCXBDSA-N 216.284 2.431 0 40 BEAB Cc1ccc(N2CCC(O)CC2)cc1C 41214079 YDHYLAKFMSDKKV-UHFFFAOYSA-N 205.301 2.265 0 40 BEAB NC1(c2ccccc2Cl)CCOCC1 44269642 CNNHZURIQGQQKW-UHFFFAOYSA-N 211.692 2.304 0 40 BEAB CC(=O)N[C@H]1CCOc2ccc(Cl)cc21 49597413 SQVANYZYWIIWRP-JTQLQIEISA-N 225.675 2.300 0 40 BEAB CC(C)(C)CC(C)(C)NC(=O)c1cc[nH]n1 49637617 TZDKOMOVMFFHIO-UHFFFAOYSA-N 223.320 2.354 0 40 BEAB Cc1ccnc(Nc2cccc(C(=O)O)c2)n1 61858439 MOYTUSIFWRQZSJ-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB O=Cc1cnc(C2(c3ccccc3)CC2)nc1 62782238 GXHYVYZUBDXOFD-UHFFFAOYSA-N 224.263 2.369 0 40 BEAB CC(=O)c1ccc(-n2cncn2)cc1Cl 70603096 VRKQGPMJMJOEAJ-UHFFFAOYSA-N 221.647 2.123 0 40 BEAB in-vitro CNc1ncc([C@@H]2CCCN2C)cc1C 72218965 BKKQCJIJJHRBSG-NSHDSACASA-N 205.305 2.198 0 40 BEAB CCOC(=O)CCc1cccc([C@@H]2CCCN2)n1 77010581 MEYQIOIEERNLSA-LBPRGKRZSA-N 248.326 2.002 0 40 BEAB COC[C@@H](C)OC(=O)c1cccc2c1ccn2C 77957225 MZUVGEXLCODAOZ-SNVBAGLBSA-N 247.294 2.370 0 40 BEAB O=C(O)c1ccc(Cl)nc1Br 82046742 ZGEKPOXPYZIYKN-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB CCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1F 82539787 OKKIOWQOTCYRRS-DTWKUNHWSA-N 224.231 2.413 0 40 BEAB CC(C)(C)OC(=O)n1cnc2ccc(N)cc21 89194963 ZMEJJWSYTVJMST-UHFFFAOYSA-N 233.271 2.402 0 40 BEAB CCC[C@@](C)(CO)NC[C@H]1CC=CCC1 95434018 ORQCYYXHMFCLTB-STQMWFEESA-N 211.349 2.483 0 40 BEAB CCCN(CCc1ccccn1)c1ncccn1 96449425 QFOVIQCKMZNAOQ-UHFFFAOYSA-N 242.326 2.331 0 40 BEAB O=C(O)CCc1ccc(NC(=O)C2CCC2)cc1 96480557 YNSMXNIEYHSCSS-UHFFFAOYSA-N 247.294 2.442 0 40 BEAB CCc1ccc(-c2ccnn2CCO)cc1 96527606 KUJHURREOBTJMT-UHFFFAOYSA-N 216.284 2.105 0 40 BEAB Cc1nccc(N[C@@H]2CCCCC[C@@H]2CO)n1 97014134 YOYHOGQSPJEWKD-VXGBXAGGSA-N 235.331 2.138 0 40 BEAB CC(=O)c1ccc(NC(N)=O)cc1Cl 97084166 WNZKKDZRJOKNBR-UHFFFAOYSA-N 212.636 2.033 0 40 BEAB O=C(O)c1cc(F)c(F)c(Cl)c1O 98175174 LLTFAINSNUGLPF-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB Nc1nccc(C(F)(F)F)c1Br 98175464 KYUIKQXADNCVHA-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB Cc1nc2c(Br)cccc2c(=O)o1 142027792 ZYTKLLWRKKBQBF-UHFFFAOYSA-N 240.056 2.259 0 40 BEAB CSc1ncc2c(n1)C[C@@H](C(F)F)CC2=O 217648883 OMUUHJPJNHCAHX-RXMQYKEDSA-N 244.266 2.209 0 40 BEAB CCCCNC(=S)Nc1ncccc1OC 225374521 FIIONDJZLDRZEZ-UHFFFAOYSA-N 239.344 2.177 0 40 BEAB CCNC(=O)c1cc(N)ccc1N1CCCCC1 225485479 SKJWWWYQGXEWHD-UHFFFAOYSA-N 247.342 2.009 0 40 BEAB CCCn1nc(C)cc1CNc1cc(C)nn1C 256053459 RNYIWJDYUZWLDA-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB COc1ccccc1CNCc1snnc1C 291804079 XOCHJNSGWFGKAG-UHFFFAOYSA-N 249.339 2.145 0 40 BEAB Cn1cc(COc2ncccc2Cl)cn1 585653866 AHQWLEUJGSYFJU-UHFFFAOYSA-N 223.663 2.048 0 40 BEAB CCn1ccc(=O)c2cc(OC)ccc21 263377 JUCHVYLQQAMQNT-UHFFFAOYSA-N 203.241 2.030 0 40 BEAB O=C(Oc1ccc2c(c1)OCO2)c1ccco1 1017067 REEGUWBJQLYGMM-UHFFFAOYSA-N 232.191 2.228 0 40 BEAB O=C1NC(=O)C(c2ccccc2)=C1c1ccccc1 3847556 WADCPEMKIBAJHH-UHFFFAOYSA-N 249.269 2.254 0 40 BEAB biogenic,in-vivo CC(C)CNC(=O)c1cccnc1Cl 5384293 JEMSNVJDMIJWNE-UHFFFAOYSA-N 212.680 2.121 0 40 BEAB Cc1cc(C)c2nc(O)c(C(=O)O)cc2c1 5445878 ZVMVLTNMTITPBQ-UHFFFAOYSA-N 217.224 2.255 0 40 BEAB CCOc1ccc(Nc2ncc(C=O)cn2)cc1 8702946 XFRBZDYYONRHHE-UHFFFAOYSA-N 243.266 2.431 0 40 BEAB CCCNC(=O)CCc1ccc(C)cc1 10333572 IPAIBTYMFVJMCI-UHFFFAOYSA-N 205.301 2.454 0 40 BEAB C[C@H]1CNC[C@H](C)N1c1ccc(F)cc1 11632654 XSWIJPLJWWYSJJ-UWVGGRQHSA-N 208.280 2.012 0 40 BEAB Fc1ccc(Nc2ncnc3[nH]ncc23)cc1F 11856424 PNQDPJHROPOVLD-UHFFFAOYSA-N 247.208 2.375 0 40 BEAB CC(=O)N1CCc2cc3ccccc3nc21 15841726 YZGZEAGIIQLCAQ-UHFFFAOYSA-N 212.252 2.144 0 40 BEAB CC[C@H](C)NC(=O)c1cc(C)ccc1O 19837177 ZNPWZSLSDMFLIV-VIFPVBQESA-N 207.273 2.229 0 40 BEAB COCC(=O)NC1CCC(c2ccccc2)CC1 25099445 WENZZRWDOPYMFB-UHFFFAOYSA-N 247.338 2.475 0 40 BEAB CC(=O)c1csc(NC(=O)C2CCCC2)n1 25256169 FYMVCTOEKBSLRQ-UHFFFAOYSA-N 238.312 2.474 0 40 BEAB Cn1cc(CNC(=O)CCC2CCCCC2)cn1 27929233 QXQINVSMRASKMV-UHFFFAOYSA-N 249.358 2.397 0 40 BEAB Cc1ccc(NC(=O)Cn2cccn2)c(C)c1 32491769 MXYSZALOBGNONN-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)CNC(C)(C)C 32738465 URTYOJAHVCKHCU-QWRGUYRKSA-N 226.364 2.069 0 40 BEAB CN(Cc1ccc(C(N)=O)cc1)C1CCCC1 32851101 YZYHLDGMOFFUAF-UHFFFAOYSA-N 232.327 2.160 0 40 BEAB O=C(NCC1CC1)c1ccc(Cl)cc1 32906067 ALMPNQBKMACVAC-UHFFFAOYSA-N 209.676 2.480 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccn2)C1 33023834 PYDPTAHAJJXXDA-QWRGUYRKSA-N 218.300 2.200 0 40 BEAB C=CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 37007865 XBUPBEFXFBELTH-UHFFFAOYSA-N 213.240 2.201 0 40 BEAB Cc1ccccc1-n1cnnc1SCCCO 40456798 IPRXHEOKLWZBKX-UHFFFAOYSA-N 249.339 2.050 0 40 BEAB O=C(NCc1cn2cc(Cl)ccc2n1)C1CC1 40488991 XSIZIRDUFQNUFC-UHFFFAOYSA-N 249.701 2.014 0 40 BEAB CC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 41211637 LQVIGFUVEHMBKF-UHFFFAOYSA-N 203.241 2.119 0 40 BEAB in-vitro c1ccc(SC[C@H]2CCCCN2)nc1 43495254 KFMVFUSCFOGXFW-SNVBAGLBSA-N 208.330 2.316 0 40 BEAB CC(=O)N[C@@H]1CCOc2ccc(Cl)cc21 49597412 SQVANYZYWIIWRP-SNVBAGLBSA-N 225.675 2.300 0 40 BEAB CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 49597439 YXBYIHUUFANHGG-UHFFFAOYSA-N 233.267 2.389 0 40 BEAB O=C(C1CCC1)N(Cc1ccncc1)C1CC1 54534593 JRLXAXIGXDHOFQ-UHFFFAOYSA-N 230.311 2.373 0 40 BEAB CC(C)(C)c1cccc2c1OCC(=O)N2 62523376 XBSMBZCYPYXPHA-UHFFFAOYSA-N 205.257 2.315 0 40 BEAB in-vitro Cc1cc(C)n(CCC(=O)NCCC(C)C)n1 65554703 FOFGKUZBLISVEY-UHFFFAOYSA-N 237.347 2.052 0 40 BEAB CCCC[C@@H](CC)CNC(=O)[C@H]1CCOC1 69311131 MHBDSUNABQRGHC-NEPJUHHUSA-N 227.348 2.356 0 40 BEAB Fc1ccc(N2CCCNCC2)cc1Cl 71533835 YWLJEHHLABUBGE-UHFFFAOYSA-N 228.698 2.279 0 40 BEAB CN(C)c1ccc([C@H](N)c2ccccc2)cn1 72225151 FQNGSQVZLMMCEX-CQSZACIVSA-N 227.311 2.196 0 40 BEAB CC(C)c1nn(C)cc1Br 78770743 DVZCDEXRXWUCQK-UHFFFAOYSA-N 203.083 2.306 0 40 BEAB C[C@@H](C(=O)N[C@H]1CC=CCC1)C(F)(F)F 80382517 LAIBLDWERGDKBW-YUMQZZPRSA-N 221.222 2.410 0 40 BEAB Cc1cc(Br)cc2c1NC(=O)C2 84193874 MZNDURZLKXBGAU-UHFFFAOYSA-N 226.073 2.252 0 40 BEAB in-vitro CCO[C@@H](C)c1nccn1Cc1cc(C)on1 89521635 NOWDPBYSTBBUFJ-JTQLQIEISA-N 235.287 2.325 0 40 BEAB CC(=O)Nc1cc(CC2CCCCC2)n[nH]1 95351076 KLUIWCDXHSQAMT-UHFFFAOYSA-N 221.304 2.491 0 40 BEAB Cc1cc(NC(C)C)c(C(N)=O)cc1F 95410313 BMMVFODDJLKDJX-UHFFFAOYSA-N 210.252 2.053 0 40 BEAB C[C@@H](NC(=O)c1ccco1)c1cncc(F)c1 95465097 JFSZYXOSIJRQIT-MRVPVSSYSA-N 234.230 2.305 0 40 BEAB O=C(O)c1ccc(Cl)c(C(F)(F)F)n1 95611740 PXYUUSBDIWLVFL-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB CC(C)COc1cc(CCO)ccc1F 95732064 PAMJWLXNHYOPEX-UHFFFAOYSA-N 212.264 2.395 0 40 BEAB CN[C@@H]1CCN(C)Cc2ccc(Cl)cc21 96509728 QXNZHHHTZVDUPM-GFCCVEGCSA-N 224.735 2.436 0 40 BEAB Brc1ccc([C@]23CNC[C@@H]2C3)cc1 101793322 KHJRUTSPEDPIBP-ONGXEEELSA-N 238.128 2.310 0 40 BEAB C[C@@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@H]1C 195572898 MHPSOYMHARAAOD-IUCAKERBSA-N 211.305 2.064 0 40 BEAB CCNC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1 217526708 BHTAVLZTAFSIHV-KBPBESRZSA-N 246.354 2.048 0 40 BEAB CC(C)c1ccc([C@H]2CN(C)C[C@@H]2N)cc1 217660966 RZAQKRLKXBQPIV-KGLIPLIRSA-N 218.344 2.166 0 40 BEAB CC(C)(C)c1ccc2c(c1)C[C@@H](CN)O2 218746384 XSMWHWHUOXVWEX-NSHDSACASA-N 205.301 2.246 0 40 BEAB Cc1nc2cc(F)c(F)cc2n1CC(=N)O 334683923 FVMZHDZYXRWRCX-UHFFFAOYSA-N 225.198 2.158 0 40 BEAB COc1cccc2nc(Cl)c(CN)cc12 685936832 ABEZUDPQAIYTAJ-UHFFFAOYSA-N 222.675 2.356 0 40 BEAB CCCCC/C=C(/C(=O)OC)[C@H](C)C(=O)O 2048392578 HNHQCIXRJRJOHM-WKMLFNHBSA-N 228.288 2.387 0 40 BEAB O=C1N[C@@H](c2ccc(O)cc2)Nc2ccccc21 149852 UYBVPYFAXHSIPV-ZDUSSCGKSA-N 240.262 2.246 0 40 BEAB biogenic CCCN1C[C@H](COc2ccccc2)OC1=O 365813 GZIHTPUAKUVTFL-GFCCVEGCSA-N 235.283 2.296 0 40 BEAB CCC(CC)[C@H](O)[C@@H]1CCCC[C@H]1O 394904 PKYNNTVDTHYWOQ-UTUOFQBUSA-N 200.322 2.335 0 40 BEAB CSC1=NCCN1C(=O)C1CCCCC1 429364 MZTKRTLHFSHBOE-UHFFFAOYSA-N 226.345 2.128 0 40 BEAB Cc1ccccc1NC(=O)[C@@H]1CCCO1 1456893 SNZMZAJJWCIAGD-NSHDSACASA-N 205.257 2.113 0 40 BEAB O[C@@H](c1ccc(Cl)cc1)C1CCNCC1 1568063 UQGIFKXJSLUMSO-LBPRGKRZSA-N 225.719 2.373 0 40 BEAB in-vitro Cc1cccc(C)c1NC(=O)CSC(N)=O 1729554 XWLKSRRSOGIKSH-UHFFFAOYSA-N 238.312 2.054 0 40 BEAB CCOCCOC(=O)/C=C/c1ccccc1 1874304 CFDQLILRAWSXHA-CMDGGOBGSA-N 220.268 2.280 0 40 BEAB Cc1cc(C)n(NC(=O)CCc2ccccc2)n1 2780060 WRSFVHMMCQROBS-UHFFFAOYSA-N 243.310 2.203 0 40 BEAB Brc1cccc2c1N1CCN2CC1 5338193 XQXYLXCBXAOAAJ-UHFFFAOYSA-N 239.116 2.089 0 40 BEAB CC(=O)CSc1ncnc2ccccc12 5383016 YBENZRYYRGWNEU-UHFFFAOYSA-N 218.281 2.311 0 40 BEAB COP(=O)(OC)N1C[C@H]1c1ccccc1 5606446 SBSQBYQBFWTYSX-VUWPPUDQSA-N 227.200 2.444 0 40 BEAB C1Cc2nc([C@H]3CCCNC3)sc2C1 11632029 XYWFGZKQFBKBMH-QMMMGPOBSA-N 208.330 2.099 0 40 BEAB COc1ccc(N)cc1C(=O)N1CCCCCC1 20156047 NHUWSZKWHLZVIX-UHFFFAOYSA-N 248.326 2.294 0 40 BEAB NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 21302905 TZWXPIKAEAYGPF-AGUYFDCRSA-N 216.328 2.141 0 40 BEAB in-vitro Cc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 24014583 MPYHNMVMBBWECH-LLVKDONJSA-N 234.299 2.248 0 40 BEAB O=C(Nc1ccc(F)cc1)[C@H](O)c1ccccc1 32876661 XWIRNNJTIJTHBA-CYBMUJFWSA-N 245.253 2.498 0 40 BEAB CC[C@H](C)NC(=O)COc1cccc(F)c1 32942954 HFCURTSFYWCXDL-VIFPVBQESA-N 225.263 2.119 0 40 BEAB O=C(NC1CC1)c1cccc2[nH]ccc12 36164864 CMKZXPZIDDLCPB-UHFFFAOYSA-N 200.241 2.060 0 40 BEAB COC(=O)CCSCc1cccc(N)c1 36336319 XUAHEVOXJOUPGI-UHFFFAOYSA-N 225.313 2.065 0 40 BEAB in-vitro Cc1c(C(=O)O)cnn1C1CCCCC1 44375156 MPMCAMAUMJWUKS-UHFFFAOYSA-N 208.261 2.395 0 40 BEAB in-vitro O=C(O)c1ccc2[nH]cc(Br)c2n1 44712896 VAEIFQRMRLBMMP-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)O)c1 49258549 LFCZHHLXSJFIIM-MGPLVRAMSA-N 240.324 2.025 0 40 BEAB Cc1cccc(NCC(=O)N2CCCCC2)c1 57218602 AOPSDXDQRHULBO-UHFFFAOYSA-N 232.327 2.419 0 40 BEAB CC(C)Nc1ncc(CNC2CCCC2)cn1 62717603 HNLRYGMVHSOQCX-UHFFFAOYSA-N 234.347 2.329 0 40 BEAB O=C(O)c1ccc(-n2nc3ccccc3n2)cc1 70453445 MAGUMZPVHAOOIV-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB COC[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 71822610 JZLLJLYVOHOPHQ-GFCCVEGCSA-N 247.338 2.178 0 40 BEAB COc1ccc([C@@H](O)c2ccccc2)c(C)n1 72224024 QWTUQRUJERCLCV-AWEZNQCLSA-N 229.279 2.480 0 40 BEAB COC(=O)c1ccc(CSc2ncc[nH]2)cc1 72414062 IKBFSTNMIHDPCI-UHFFFAOYSA-N 248.307 2.489 0 40 BEAB Fc1ccc(Cl)cc1OC[C@@H]1CO1 75880996 JPBVGZHUDCYVEV-ZETCQYMHSA-N 202.612 2.257 0 40 BEAB O=C(Nc1cc(C2CCCC2)[nH]n1)C1CC1 78798022 XPWJWITVWYTYDX-UHFFFAOYSA-N 219.288 2.416 0 40 BEAB NCCc1nc(-c2ccccc2)n2c1CCCC2 84068553 VXFIGPGOCTVPMU-UHFFFAOYSA-N 241.338 2.388 0 40 BEAB CCCn1cccc1CNCCCOC 85608490 KALQVBQRUWBJBG-UHFFFAOYSA-N 210.321 2.024 0 40 BEAB CCOC(=O)c1noc(-c2cccc(F)c2)n1 85652897 QRJQFAPQITVEPQ-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB C[C@H](NCc1ccccc1F)[C@H](C)C(=O)O 86297931 ONLCLSFGQPCXLO-IUCAKERBSA-N 225.263 2.025 0 40 BEAB Cc1ccc(-n2cc[nH]c2=O)cc1Cl 87665572 NCYKFGJZPZSKSQ-UHFFFAOYSA-N 208.648 2.127 0 40 BEAB c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]23)nc1 89883881 WSGJFAJTPSMXBT-IJLUTSLNSA-N 218.300 2.451 0 40 BEAB NC1(c2ccnc(C(F)(F)F)c2)CC1 95094340 VGKKAMHFVUZJPJ-UHFFFAOYSA-N 202.179 2.048 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@H]3C2)nc(C)n1 95410697 XQMSLJCPUKNHFK-TXEJJXNPSA-N 217.316 2.330 0 40 BEAB C1=CCC(c2nc([C@H]3CCOC3)no2)C1 95411041 PZJPDUBIOQKXPW-VIFPVBQESA-N 206.245 2.007 0 40 BEAB CCC(CC)CNCCc1cnn(C)c1C 95434129 SELDLUXAVRAILM-UHFFFAOYSA-N 223.364 2.297 0 40 BEAB CCOc1ccc(N2CCC(C)(C)C2)nn1 96007449 VNZAXOHEJWVJNX-UHFFFAOYSA-N 221.304 2.112 0 40 BEAB CCc1cc(NC(=O)c2ccoc2)nc(C)n1 96425625 RRSDNNBPHTZXQH-UHFFFAOYSA-N 231.255 2.193 0 40 BEAB CC[C@H](NC[C@H](O)CC)c1c(C)noc1C 97111146 XNXMDSWRPCKSAC-MNOVXSKESA-N 226.320 2.103 0 40 BEAB C[C@H](CCc1cccc(F)c1)N(C)CCO 97370739 YZLWAIYZKIHPDB-LLVKDONJSA-N 225.307 2.071 0 40 BEAB N[C@@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 101027454 JJRBFERRYCUWKX-SNVBAGLBSA-N 240.228 2.404 0 40 BEAB COC(=O)C[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 103708291 SYNGPWGKVVAZBZ-STQMWFEESA-N 224.300 2.335 0 40 BEAB FC1(F)CNCC[C@@H]1Cc1ccccc1 107274404 NRSCADZQCJELQE-LLVKDONJSA-N 211.255 2.474 0 40 BEAB CC(=O)O[C@H](C)[Si](C)(C)c1ccccc1 195761000 XJRWJDXQKYDTNE-NSHDSACASA-N 222.360 2.093 0 40 BEAB CN1CCC[C@@H](c2cccc(-c3ccn[nH]3)n2)C1 205694987 YWBSZFBKDGRRAW-LLVKDONJSA-N 242.326 2.281 0 40 BEAB Cc1cnc([C@H]2CCCN2C(=O)C(C)(C)C)[nH]1 205695617 WOXYTGIZCIGEEP-SNVBAGLBSA-N 235.331 2.428 0 40 BEAB O=C(COc1ccccc1)N1[C@H]2C=CC[C@H]1CC2 208012758 MKQNBKGQCWCPPZ-STQMWFEESA-N 243.306 2.385 0 40 BEAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)C1CC1 225596062 QEMQQXOYDANOBH-JTQLQIEISA-N 245.322 2.079 0 40 BEAB N=C(Cc1cccc(OC(F)(F)F)c1)NO 228915319 XZXFSRDUKGRDAM-UHFFFAOYSA-N 234.177 2.084 0 40 BEAB C[C@H](O)c1cn(-c2cc(F)ccc2Cl)nn1 231835067 UKKJSYDJLJGETF-LURJTMIESA-N 241.653 2.113 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@@H](C)C[C@H]21 252551062 TWTPKDUTNOWMNE-VLEAKVRGSA-N 212.289 2.143 0 40 BEAB N=C1NN2[C@H](c3ccccc3)S[CH][C@H]2S1 409416296 JGDLJIVBRKBASC-BDAKNGLRSA-N 236.345 2.408 0 40 BEAB CC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 527534922 XGTVBHPAISRHQJ-GRYCIOLGSA-N 221.687 2.114 0 40 BEAB CN(C(=O)c1cscn1)[C@H]1CCC[C@H]1F 585298964 XAQJNBSTFQEHSA-APPZFPTMSA-N 228.292 2.106 0 40 BEAB CCc1[nH]c2cccc(O)c2c(=O)c1C 685938422 MERBFAQGDJIXDN-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB CNC(=O)c1cn(CC2CC2)c2ccccc12 1776000652 CUJRGDLSOWHZCD-UHFFFAOYSA-N 228.295 2.411 0 40 BEAB Clc1cncc(OC[C@H]2CCOC2)c1 1852412528 GRUJNODETUUMLY-QMMMGPOBSA-N 213.664 2.150 0 40 BEAB Cc1cc(C)n(CNc2nccs2)n1 140180 SBUOEMVPDZVZKJ-UHFFFAOYSA-N 208.290 2.026 0 40 BEAB Cc1ccc([C@@H]2NC(=O)[C@@H](C)S2)cc1 292853 FBQSULSZOOGTHJ-LDYMZIIASA-N 207.298 2.245 0 40 BEAB C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C 1076024 PUVALBABJRFOQO-VXGBXAGGSA-N 217.312 2.486 0 40 BEAB Cc1ccoc1OP(=O)(N(C)C)N(C)C 1612211 FMKGSVFNBHSKDV-UHFFFAOYSA-N 232.220 2.198 0 40 BEAB O=C(OCc1ccccc1)c1ccccn1 3264676 PNEBXWLVOMLIPS-UHFFFAOYSA-N 213.236 2.439 0 40 BEAB CC[C@@H]1c2cc(O)c(OC)cc2CCN1C 3847412 LSSNGUXKALZUIF-LLVKDONJSA-N 221.300 2.340 0 40 BEAB biogenic CCOC(=O)N1C=Cc2ccccc2[C@H]1C(=N)N 4963739 JALPIUOSSNXQGO-NSHDSACASA-N 245.282 2.106 0 40 BEAB COc1ccc2nc(SCC(C)=O)[nH]c2c1 5283406 ZURAZIRAKZEYBN-UHFFFAOYSA-N 236.296 2.253 0 40 BEAB CCCCCNC(=O)[C@@H]1COc2ccccc2O1 6320419 URFGENCXGPGHMA-ZDUSSCGKSA-N 249.310 2.133 0 40 BEAB O=C(O)c1cccnc1SC[C@H]1CCCO1 6321413 KRQSOKPUQSDAEO-MRVPVSSYSA-N 239.296 2.051 0 40 BEAB CCNC(=O)Cc1coc2cc(OC)ccc12 8267947 AGVJXNVJWTYDCX-UHFFFAOYSA-N 233.267 2.120 0 40 BEAB O=C(O)[C@@H]1CC[C@H](c2ccccc2)C[C@H]1C(=O)O 8473750 LDLKSTRLCYRBDW-QJPTWQEYSA-N 248.278 2.356 0 40 BEAB CCC[C@@H](Nc1cccc(F)c1)C(=O)O 8730659 WPBBATUEMGXISK-SNVBAGLBSA-N 211.236 2.491 0 40 BEAB CCCc1nnc(COc2cccc(C=O)c2)o1 8731385 PUXURZLLDGYYDE-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB CCNC(=O)NCCc1c[nH]c2ccccc12 10029108 FWXGOWHJWCIWMI-UHFFFAOYSA-N 231.299 2.030 0 40 BEAB Cc1ccc(C(=O)[C@@H]2CCCN2)cc1C 11630649 XJSJGDSMDXGGTN-LBPRGKRZSA-N 203.285 2.238 0 40 BEAB Cc1ccc(/C=C2\SC(=O)NC2=O)cc1 12409475 VUXDSWRSGDQYRJ-TWGQIWQCSA-N 219.265 2.319 0 40 BEAB FC(F)(F)CNCCc1ccccc1 19477914 LHOKFYXJNQUUPY-UHFFFAOYSA-N 203.207 2.381 0 40 BEAB c1coc([C@H]2NCCc3nc4ccccc4n32)c1 19772819 JHYAZRFZZUVECP-AWEZNQCLSA-N 239.278 2.322 0 40 BEAB O=C(Nc1ccc(O)cc1)c1cccnc1 20211209 PUFQPHQEWBTFSR-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB CCc1cc(C(=O)O)c([S@](=O)CC)s1 22015043 ZWRBVDWVNPXOLL-AWEZNQCLSA-N 232.326 2.136 0 40 BEAB COc1cc(CN)ccc1OCc1cccnc1 22144665 OMVOAXGBXKXNGM-UHFFFAOYSA-N 244.294 2.128 0 40 BEAB in-vitro O=C(NC1CCCC1)NC(C1CC1)C1CC1 29320739 WCMJPAJKULAYCK-UHFFFAOYSA-N 222.332 2.417 0 40 BEAB O=C(Nc1nnc2ccccn12)[C@@H]1CC=CCC1 31739134 MXKGFBXJTHLGNK-SNVBAGLBSA-N 242.282 2.024 0 40 BEAB COc1cccc(-c2csc3nc(N)nn23)c1 31891253 HMAOKFDZXDDCAM-UHFFFAOYSA-N 246.295 2.049 0 40 BEAB Cc1ccc(NCCc2ccccc2)nn1 32624603 YCWHFECPGMBKFH-UHFFFAOYSA-N 213.284 2.440 0 40 BEAB CC(C)OCCCNC(=O)c1cc(Cl)c[nH]1 32819408 MNNNJFRGEYVLEX-UHFFFAOYSA-N 244.722 2.213 0 40 BEAB Cc1ccc(CCC(=O)N2CCC2)c(C)c1 32869688 QWRBDXFVWCBDHT-UHFFFAOYSA-N 217.312 2.468 0 40 BEAB O=C1CCC[C@H]1C(=O)OCc1ccccc1 33961897 FSJLARHYALYBBD-LLVKDONJSA-N 218.252 2.099 0 40 BEAB O=C(O)[C@@H]1C[C@@H]1c1nc2ccccc2s1 34926280 QENQUKIOSLLIGG-NKWVEPMBSA-N 219.265 2.484 0 40 BEAB CN(Cc1ccccc1)C[C@@H](O)C(F)(F)F 36380000 IVHKQRVWSJYCTF-SNVBAGLBSA-N 233.233 2.042 0 40 BEAB CC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1 37020915 RSAGOSYIIJQOST-BQBZGAKWSA-N 246.763 2.316 0 40 BEAB CCN(Cc1ccccc1)C[C@@H]1CCCN1 39185318 LZWFLHHYCLWAHT-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB CCOC(=O)[C@H](C)c1ccc(C=O)cc1 39385698 KQPWKBOJHTURNH-SECBINFHSA-N 206.241 2.166 0 40 BEAB in-vitro Cc1csc(SCCN(C)C)n1 40456999 HDLDRYMZXCDUKW-UHFFFAOYSA-N 202.348 2.105 0 40 BEAB CCOC(=O)Cc1cc(F)c(F)c(F)c1F 43503668 XJEMEXAJHAZANK-UHFFFAOYSA-N 236.164 2.349 0 40 BEAB Cc1ccc(C(=O)N2CCC(CN)CC2)c(C)c1 44512680 YTIJTWBMUDLWPK-UHFFFAOYSA-N 246.354 2.114 0 40 BEAB CCNc1nnc(SC(C)C)s1 48397797 MJMATXRTZSPSDG-UHFFFAOYSA-N 203.336 2.470 0 40 BEAB CNC[C@@H]1C[C@@H]1c1cc(OC)ccc1OC 54588801 PJAWTBPNBFIOAB-ONGXEEELSA-N 221.300 2.027 0 40 BEAB CCc1nnc(CN(C)Cc2ccc(F)cc2)o1 69593700 MEVUKVBWKYGMCK-UHFFFAOYSA-N 249.289 2.403 0 40 BEAB COc1cc(CN)ccc1OC(C)(C)C 69760526 HFGOOMVHMBGUJP-UHFFFAOYSA-N 209.289 2.331 0 40 BEAB in-vitro CCC(=O)N1CCCC[C@@H]1c1ccnc(C)n1 72187525 VWGHVZLCABMBSG-GFCCVEGCSA-N 233.315 2.249 0 40 BEAB O=CN1CCC[C@H]1c1ccc(=S)[nH]c1 72216988 BZGUQRVTXVXOKP-VIFPVBQESA-N 208.286 2.037 0 40 BEAB CC(C)N1CCC[C@@H](c2ccncn2)C1 72348451 GJQVBCIGTGUMFV-LLVKDONJSA-N 205.305 2.064 0 40 BEAB C[C@H](c1ccccn1)N(C)C(=O)c1cscn1 78482748 DFFXZVXCRWLADB-SECBINFHSA-N 247.323 2.371 0 40 BEAB CCCC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 78985657 ZJHBMFOUTBXNMF-LBPRGKRZSA-N 237.347 2.424 0 40 BEAB CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C 89336444 ZIVSWQWCHSQXEC-QWHCGFSZSA-N 227.348 2.496 0 40 BEAB O=C(C[C@H]1C=CCC1)NC[C@H]1CCCS1 89598144 KLRJGAWAKTXEJR-WDEREUQCSA-N 225.357 2.355 0 40 BEAB CC(C)N(C)CCCCNC(=O)NC(C)(C)C 95411210 MRKWOKAGFRGOJR-UHFFFAOYSA-N 243.395 2.205 0 40 BEAB CCSCCN1CCC[C@H]1c1ncc[nH]1 95459757 OGOJKNFCMBGENI-JTQLQIEISA-N 225.361 2.300 0 40 BEAB Cn1c(C(=O)c2cccnc2)nc2ccccc21 95635242 MFYHWPBHQHEALM-UHFFFAOYSA-N 237.262 2.199 0 40 BEAB in-vitro FC(F)(F)Oc1ccccc1C1CNC1 96028874 XLLKJUQUGBBTJQ-UHFFFAOYSA-N 217.190 2.272 0 40 BEAB Cc1csc(COC(=O)c2ccncc2)n1 96442925 VJMXEFZLPDYQJD-UHFFFAOYSA-N 234.280 2.204 0 40 BEAB CCCc1nnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)s1 96476101 GUDPVBZZVAGIPZ-HLTSFMKQSA-N 239.344 2.222 0 40 BEAB Cc1cccc(NCCOc2cccnc2)n1 97163305 ZIRRBZMAJDGLEX-UHFFFAOYSA-N 229.283 2.276 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@H]1N3)O2 100227478 HYWWUAGPPPYSGD-NZVBXONLSA-N 243.306 2.223 0 40 BEAB CCOC(=O)C(=O)CC(=O)c1cc(C)ccc1C 100595705 FRMKYUXSGRBHMC-UHFFFAOYSA-N 248.278 2.008 0 40 BEAB CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@@H]12 101130535 WMCIENSNBKBGKV-YIKOMLBNSA-N 247.338 2.230 0 40 BEAB C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1N 101417851 JZDOXTQRTHHGOG-YRGRVCCFSA-N 218.344 2.244 0 40 BEAB Cc1ccc(C)c(N(C)[C@@H](C)C(=O)O)c1 224982719 UHDLPYOKHMXDEP-JTQLQIEISA-N 207.273 2.213 0 40 BEAB CC(C)OCCCN1CCN[C@H]2CCCC[C@@H]21 225712537 SVOFHSOHNPEOPL-KBPBESRZSA-N 240.391 2.018 0 40 BEAB CCCn1nccc1CNc1cc(C)nn1CC 256052047 LSBQYQKZKUEUBC-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CCCn1nc(C)cc1CNCc1ccco1 256054466 WKANWKXUNFOYAE-UHFFFAOYSA-N 233.315 2.484 0 40 BEAB N=C(O)[C@@H]1C[C@@H](F)CN1CC1=CCCCC1 336264810 OZFZHBUGKRHDFR-MNOVXSKESA-N 226.295 2.434 0 40 BEAB CS(=O)(=O)NC1(c2cccs2)CCCC1 390827949 MIVMLKUGZOVRTB-UHFFFAOYSA-N 245.369 2.067 0 40 BEAB COC(=O)c1ccn(Cc2ccc(C)cc2)n1 675030960 CNKIGAJICWOROD-UHFFFAOYSA-N 230.267 2.026 0 40 BEAB Cc1nc(Cl)c2nccn2c1Br 1857794593 CIRIWNQFBSISRP-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB O=C(O)[C@H]1[C@@H]2C=C3CCc4cccc(c43)[C@@H]21 393061 SFWSQHBBVROHCX-WXHSDQCUSA-N 212.248 2.444 0 40 BEAB CCC(CC)C(=O)Nc1ccccc1C(N)=O 987386 RHCHLJOFUAFRRM-UHFFFAOYSA-N 234.299 2.160 0 40 BEAB N[C@H](CC(=O)O)C12CC3CC(CC(C3)C1)C2 1506919 AMRNUEMIMYEDBK-VBRVDACPSA-N 223.316 2.005 0 40 BEAB C[C@H](CC(=O)c1ccc(F)cc1)C(=O)O 1595350 LDFOTDZVZJTBRL-SSDOTTSWSA-N 210.204 2.119 0 40 BEAB in-vitro FCCN(CCF)Cc1ccc2c(c1)OCO2 1621278 SIORTACOPMPNSA-UHFFFAOYSA-N 243.253 2.156 0 40 BEAB CC1(C)Oc2ncnc(N)c2[C@H]1c1ccccc1 1704273 NWSRQSZQCWEPPD-LLVKDONJSA-N 241.294 2.362 0 40 BEAB COC[C@@H](C)Nc1nc(C)c(C(C)=O)s1 3325114 XDQGEILYHRINOU-ZCFIWIBFSA-N 228.317 2.101 0 40 BEAB CCC1(C)COC2(OC1)C(=O)Nc1ccccc12 4126189 IMDTYSFILNDLKF-UHFFFAOYSA-N 247.294 2.255 0 40 BEAB Cc1ccccc1Nc1nc(N)nc(N)c1N=O 4707223 GXIVNJDUFRMPPZ-UHFFFAOYSA-N 244.258 2.091 0 40 BEAB O=C(O)C[C@@H](C(=O)O)c1ccc(C2CC2)cc1 4763483 MTTZPLKVZPUBBK-LLVKDONJSA-N 234.251 2.207 0 40 BEAB Nc1ccc(C(=O)c2ccccc2N)cc1 5162232 JEXYPPOFQZMCCI-UHFFFAOYSA-N 212.252 2.082 0 40 BEAB CC(=O)O[C@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2 6720778 HZJHUAKXMXQRMD-ZNMIVQPWSA-N 245.322 2.037 0 40 BEAB Cc1cc(N)n(-c2ccc3ccccc3n2)n1 11731209 NGERPZUVJAGONQ-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB C[C@@H]1CCCN(c2ccccc2CN)C1 11757309 GDYYTQZYOAPEDJ-LLVKDONJSA-N 204.317 2.382 0 40 BEAB Cc1cncc(Oc2ccc(CO)cc2)n1 12370731 RNFIYSOVNHRFJW-UHFFFAOYSA-N 216.240 2.070 0 40 BEAB in-vitro CC(=O)Nc1cccc(-n2c(C)n[nH]c2=S)c1 12522336 ATRHYXVKJVZTTH-UHFFFAOYSA-N 248.311 2.197 0 40 BEAB in-vitro CC[C@@H](C)NC(=O)c1cnc2ccccc2n1 12977660 VKWINXGHPRBKEP-SECBINFHSA-N 229.283 2.158 0 40 BEAB CCCCNC(=O)COc1ccccc1C 14795888 RMIDBIVTVORYMG-UHFFFAOYSA-N 221.300 2.290 0 40 BEAB Cc1cccc2c1NC(=O)[C@H]1[C@@H]2OC(=O)C[C@H]1C 17680665 NONFWADWZXFNGC-XTWCZFFVSA-N 245.278 2.187 0 40 BEAB CCN1CNC(=S)N(c2ccc(C)cc2C)C1 19922895 FJJUDCRMUHPGJD-UHFFFAOYSA-N 249.383 2.235 0 40 BEAB NC[C@H](c1ccc(F)c(F)c1)N1CCCCC1 22167655 LFQMPKMMYCOMEV-CYBMUJFWSA-N 240.297 2.451 0 40 BEAB N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 22942153 QPMFCOOSBGLJNO-LLVKDONJSA-N 244.260 2.238 0 40 BEAB Nc1ccc2nc(-c3ccccn3)oc2c1 31978839 OAYGTNXJKHMFJA-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB in-vitro COc1cccc(O[C@H]2CCCC[C@@H]2O)c1 37695241 RCWVCPFKUUXXIT-STQMWFEESA-N 222.284 2.378 0 40 BEAB Cc1c2c(=O)cc[nH]c2nn1-c1ccccc1 40385410 NRRYBSCBSVKIPA-UHFFFAOYSA-N 225.251 2.022 0 40 BEAB CC(C)CO[C@@H](C)C(=O)N1CCCCC1 42467296 MFYGDKMNUGEWDA-NSHDSACASA-N 213.321 2.060 0 40 BEAB OCC1CCN(CC2CCCCC2)CC1 46090867 KDSQRWFNKDSQNV-UHFFFAOYSA-N 211.349 2.271 0 40 BEAB CC[C@H]1CCCN(Cc2nnc(C)o2)C1 48058568 FOOTUNFYTDVXMD-JTQLQIEISA-N 209.293 2.000 0 40 BEAB CC[C@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O 48400486 QXRXWILZKJCKDB-VXGBXAGGSA-N 247.294 2.071 0 40 BEAB CCNC(=O)c1ccc(OCC2CC2)cc1 55111436 AOSUMXKPIMBOAI-UHFFFAOYSA-N 219.284 2.225 0 40 BEAB CCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1 58109903 BSFNLPBTWAKWNO-LLVKDONJSA-N 234.343 2.210 0 40 BEAB NC(=O)Nc1cc(C(F)(F)F)ccc1F 59686534 AXIWSBMKUQLHRL-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB CC(C)c1ccccc1OP(=O)(O)O 64033417 UETPRJJVZPVPQI-UHFFFAOYSA-N 216.173 2.282 0 40 BEAB Nc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1 66351897 DZRKJIOFNBYMMY-UHFFFAOYSA-N 249.657 2.077 0 40 BEAB CC(C)(C)OC(=O)N1CCN[C@@H](C(C)(C)C)C1 71863780 LCTYDUNZQLEACC-SNVBAGLBSA-N 242.363 2.241 0 40 BEAB Cc1cc(CN2CCC[C@@H]2c2cnn(C)c2)on1 72255076 LQXPGNUMVZHOED-CYBMUJFWSA-N 246.314 2.054 0 40 BEAB CSCC[C@@H](C)N(C)c1ccnc(C)n1 74770149 MSZQJHRZKKJWOY-SECBINFHSA-N 225.361 2.363 0 40 BEAB C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1 83062113 MVYNIUVDGBXVIE-MRVPVSSYSA-N 228.698 2.277 0 40 BEAB in-vitro Cc1cccc(C(=O)N[C@H]2CCCN[C@@H]2C)c1C 91496417 TVKBPWTVCDPBBV-OCCSQVGLSA-N 246.354 2.174 0 40 BEAB CCOC(=O)C(=O)Sc1ccc(F)cc1C 95731180 LLDMVBDDWNBOCH-UHFFFAOYSA-N 242.271 2.316 0 40 BEAB COc1ccc(C2([C@@H](C)O)CC2)c(C)c1 95739126 RHKGDYLBMJKSFB-SNVBAGLBSA-N 206.285 2.416 0 40 BEAB Cc1occc1C(=O)N1CC[C@H]2C[C@H](C)O[C@@H]2C1 96062538 SSPYWLISUAZOPW-XHVZSJERSA-N 249.310 2.228 0 40 BEAB COC[C@H](C)OC(=O)c1ccc(OC)cc1C 96442114 KFBUQMOTKWPCJZ-JTQLQIEISA-N 238.283 2.195 0 40 BEAB CO[C@@H](C)CCOC(=O)c1ccnc(Cl)c1 96442893 BRVFPDDFZGYVDH-QMMMGPOBSA-N 243.690 2.317 0 40 BEAB CN(CCC1CCOCC1)[C@H]1CCCC[C@@H]1O 96485282 OJOYQPFWTQYPDQ-KBPBESRZSA-N 241.375 2.038 0 40 BEAB CCc1ccc(NC[C@@H]2C[C@@H]2CN)cc1 96509421 LWWYZGKFDTUAQN-NEPJUHHUSA-N 204.317 2.256 0 40 BEAB CC1(C)C[C@@]2(C(=O)O)CC[C@]1(C)C(=O)C2 96527985 PUQLHGDQHCQSQZ-VXGBXAGGSA-N 210.273 2.247 0 40 BEAB CN1CCC[C@@H](NC(=O)OCc2ccccc2)C1 108186077 SLOROVLITRFUFM-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB COCCN(C(=O)CC1CC1)[C@H]1CC[C@@H](C)C1 195580186 GFCAHIYJZZLGMT-YPMHNXCESA-N 239.359 2.450 0 40 BEAB FC(F)(F)[C@H]1CN(Cc2ccccc2)CCO1 306700005 YCQAUYAEALGKGN-LLVKDONJSA-N 245.244 2.450 0 40 BEAB C[C@@H](Oc1nc2cccnc2n1C)C1CC1 585654855 NEHAFLDGXKBISV-MRVPVSSYSA-N 217.272 2.146 0 40 BEAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)no1 116329 OXVLRBMWVANPKJ-JTQLQIEISA-N 246.266 2.389 0 40 BEAB CC(=O)Nc1ccc(N)cc1-c1ccc(N)cc1 1733769 OEHOBZSGWJPXJW-UHFFFAOYSA-N 241.294 2.476 0 40 BEAB CCN1CCN(C(=O)Nc2cccc(C)c2)CC1 2763687 BZCZCSPHHZOKIQ-UHFFFAOYSA-N 247.342 2.164 0 40 BEAB COc1ccccc1NC(=S)NC(C)C 3313819 DAQKOQRXZORWMH-UHFFFAOYSA-N 224.329 2.390 0 40 BEAB O=C1C[C@H]2CCC[C@@H](c3ccccc3)[C@@]2(O)O1 4023402 ZMWQOEWNVDTTKC-DYEKYZERSA-N 232.279 2.206 0 40 BEAB OCCCNCc1[nH]c2ccccc2c1Cl 4866253 PQSBOCSNFDFQOI-UHFFFAOYSA-N 238.718 2.293 0 40 BEAB N[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 6535772 HXRLHIFKRUZOOC-CQSZACIVSA-N 229.279 2.340 0 40 BEAB COc1ccc(C)cc1-c1cc(C(=O)O)n[nH]1 6849118 AFQRZCGJQLDZJI-UHFFFAOYSA-N 232.239 2.092 0 40 BEAB CC(C)CNC(=O)[C@@H]1Cc2ccccc2S1 12921922 WCGHMGJSMRFGOT-LBPRGKRZSA-N 235.352 2.476 0 40 BEAB NCc1cccnc1OCc1ccccc1 22220883 WDCQQDHJKVTSEO-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB CCC(=O)Nc1ccccc1CN(C)C(C)=O 24703743 YDEQRKNSIOPJJJ-UHFFFAOYSA-N 234.299 2.013 0 40 BEAB COC(=O)c1cccc(-c2cccc(N)n2)c1 32593223 VALRVVPDDAKNOV-UHFFFAOYSA-N 228.251 2.117 0 40 BEAB Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cn1 32787753 IDDFUWPPEVJXIQ-MFKMUULPSA-N 247.342 2.436 0 40 BEAB C[C@@H]1Oc2c(C(=O)N(C)C)cccc2[C@@H]1C 32820091 NSSNZERKLFXAST-BDAKNGLRSA-N 219.284 2.273 0 40 BEAB CCN(CC(=O)O)c1ccc(Cl)cc1 34466584 LEERKBXWSSFGHA-UHFFFAOYSA-N 213.664 2.251 0 40 BEAB CCOC(=O)c1ccncc1Br 34477192 KAJIRIIDTCRPKH-UHFFFAOYSA-N 230.061 2.021 0 40 BEAB in-vitro O=C(CCc1cccnc1)Nc1nccs1 36394847 KAIHRALNAIVWBV-UHFFFAOYSA-N 233.296 2.109 0 40 BEAB COc1cccc([C@H]2C[C@H]2[C@H](C)N)c1OC 36922590 NRMIRCUHNDPXEF-INTQDDNPSA-N 221.300 2.155 0 40 BEAB CC[C@H](O)Cc1ccc(OC)c(OC)c1 37658244 MFEONCBASHYJNT-JTQLQIEISA-N 210.273 2.017 0 40 BEAB CCOC(=O)N1CCO[C@@H](c2ccccc2)C1 38569721 UAHRRCXTBVMZEY-GFCCVEGCSA-N 235.283 2.216 0 40 BEAB CN1C(=O)C(Cl)(Cl)c2ccccc21 40163997 GUCZULQQIUYQLJ-UHFFFAOYSA-N 216.067 2.293 0 40 BEAB COc1ccc(C[C@H](C)C(=O)O)cc1F 40377469 AAABJKSOVYDFKA-ZETCQYMHSA-N 212.220 2.098 0 40 BEAB CCc1n[nH]c(SCC(=O)C(C)(C)C)n1 40485568 HFIASVRTTQAPER-UHFFFAOYSA-N 227.333 2.074 0 40 BEAB Cc1ccc([C@@H](CO)N2CCCC2)cc1 41213749 FJYDANZWVOHKGU-CYBMUJFWSA-N 205.301 2.124 0 40 BEAB O=C(NCC1CCC1)Nc1nccs1 44935464 CJZWAEUPADSJIE-UHFFFAOYSA-N 211.290 2.065 0 40 BEAB Cc1cc(CN(C)C(=O)CCC(C)C)no1 46059862 ALAAMHJXTDOFEU-UHFFFAOYSA-N 224.304 2.378 0 40 BEAB CCO[C@@H](C)C(=O)NCc1ccc(C)s1 58424136 DCHXWPRWXGEPSM-VIFPVBQESA-N 227.329 2.098 0 40 BEAB NCc1nc2cc(C(F)(F)F)ccc2o1 62526228 XSHLRKWXPLTSOE-UHFFFAOYSA-N 216.162 2.305 0 40 BEAB Nc1ccn(Cc2ccc(Cl)c(F)c2)n1 71978684 HZYUNNCOEIBOLF-UHFFFAOYSA-N 225.654 2.306 0 40 BEAB CCN(CC)c1ccc([C@@H]2CCCN2)cn1 72212818 YGBUMWZHUNMUKP-LBPRGKRZSA-N 219.332 2.352 0 40 BEAB c1nc(-c2ccc3c(c2)CNCC3)cs1 72226551 GGSYOGUPKOHWRU-UHFFFAOYSA-N 216.309 2.456 0 40 BEAB C[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 72275959 VAEJVFIAPXRBMH-LBPRGKRZSA-N 246.358 2.313 0 40 BEAB Cc1nccn1-c1cccc([C@@H]2CCCN2)n1 72355929 KNUWXIWCRCDCSN-NSHDSACASA-N 228.299 2.000 0 40 BEAB COC[C@H](C)OC(=O)c1ccc(C)s1 73836497 RJTFYGOXCIADQL-ZETCQYMHSA-N 214.286 2.248 0 40 BEAB Cc1cccc2sc(N(C)CC(=O)O)nc12 74934168 PIJQMJLUXFEBML-UHFFFAOYSA-N 236.296 2.126 0 40 BEAB CONC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 75145507 JXGWIUBHSFLJMT-NXEZZACHSA-N 240.690 2.057 0 40 BEAB CC[C@](C)(C(=O)O)c1ccccc1OC 75616329 WISGQWVCKUFMGR-LBPRGKRZSA-N 208.257 2.448 0 40 BEAB COC(=O)c1ccoc1COc1ccc(C)cn1 77240573 JPWNZCXBXOKNDG-UHFFFAOYSA-N 247.250 2.349 0 40 BEAB COC(=O)c1cccn1Cc1ccccc1 78874507 ASHPSTQAODFMLF-UHFFFAOYSA-N 215.252 2.323 0 40 BEAB CCS[C@@H]1CCC[C@@H](NC(=O)CCOC)C1 79013380 OHJLCUGFGXPSLQ-GHMZBOCLSA-N 245.388 2.203 0 40 BEAB Cc1ccccc1-n1nc2c(c1N)CCC2 83740157 RFHKMJGDTAHEDV-UHFFFAOYSA-N 213.284 2.252 0 40 BEAB CC[C@H](COC)N[C@H]1CCC[C@@H]1SC 95968638 IIYCHJYQGHDGLZ-VWYCJHECSA-N 217.378 2.285 0 40 BEAB C[C@H]1CN(Cc2cscn2)C[C@@H](C)S1 98015857 GTUHFJUZVODZDL-DTORHVGOSA-N 228.386 2.469 0 40 BEAB COc1ccccc1/C=C(/S)C(=O)O 101636556 CYTWHBLSXGROPM-RMKNXTFCSA-N 210.254 2.051 0 40 BEAB Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 105673357 DFVYSXFNAAXTPS-YUSALJHKSA-N 247.342 2.340 0 40 BEAB CCN(CC)[C@H](Cc1ccc(C)cc1)C(=O)O 107843892 USJSHEXISQPHID-CYBMUJFWSA-N 235.327 2.333 0 40 BEAB COCOc1cccc(Br)c1O 113179532 JWWVIPBQXASZHE-UHFFFAOYSA-N 233.061 2.137 0 40 BEAB COCOc1cccc(Cl)c1C(=O)O 114413344 VSFITLCJEWJLEN-UHFFFAOYSA-N 216.620 2.021 0 40 BEAB CCC[C@H](C)Nc1ccc(C(=O)NC)cc1N 212215271 LXVWQFGCELOISS-VIFPVBQESA-N 235.331 2.229 0 40 BEAB NC[C@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218700490 JCVNEPFOJPAIAS-GHMZBOCLSA-N 213.227 2.144 0 40 BEAB CCC[C@H](C(=O)OC)N1CCCC[C@H]1C 248126402 XCUSXHHSDBPAFM-GHMZBOCLSA-N 213.321 2.203 0 40 BEAB CC1CCC2(CC1)[C@H](N)C(=O)N2c1ccccc1 256050744 GIIPFMIJFGGMHJ-GLWUULTISA-N 244.338 2.309 0 40 BEAB CC(C)n1nccc1CNCc1cccn1C 256054975 YOXHFMCOUILQRQ-UHFFFAOYSA-N 232.331 2.092 0 40 BEAB Cc1cccc(OC[C@H]2CCNC(=O)CC2)c1 334937551 ZXLSJNXOMAUHSR-GFCCVEGCSA-N 233.311 2.290 0 40 BEAB Cc1cc(Br)nc2cnn(C)c12 514251850 JNMFVBHDIVJVFX-UHFFFAOYSA-N 226.077 2.039 0 40 BEAB Cc1ncnc(C(=O)NC2CCCCC2)c1C 1888834209 UJJWUMHMGBANNC-UHFFFAOYSA-N 233.315 2.156 0 40 BEAB FC(F)(F)c1cc(N2CCC2)ccn1 1888849943 QEWLNVLCDVNVMJ-UHFFFAOYSA-N 202.179 2.311 0 40 BEAB COc1ccc2[nH]c(C)c(C(=O)O)c2c1 36675 ORUFFPUSVXGKCC-UHFFFAOYSA-N 205.213 2.183 0 40 BEAB in-vitro Cc1nc(C[C@@H]2CC2(Cl)Cl)no1 159592 LTIVZCZHXZVVSS-RXMQYKEDSA-N 207.060 2.114 0 40 BEAB CC(=O)Nc1ccc(N2CC(C)(C)C2=O)cc1 1403410 PHGOCHSYEFNMQT-UHFFFAOYSA-N 232.283 2.018 0 40 BEAB CCCC[C@@H]1SC(CC)(CC)C(=O)NC1=O 1752239 DYLJZADGRHHBKQ-VIFPVBQESA-N 243.372 2.494 0 40 BEAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1O 4504421 ZOJCQUMIKFJCPG-WEVVVXLNSA-N 249.291 2.333 0 40 BEAB CCC(=O)c1cc2c(cc1N=O)OCCO2 4551169 CRBZQZYGDYHQQP-UHFFFAOYSA-N 221.212 2.448 0 40 BEAB CNC(=O)[C@@H](c1ccccc1)C(F)(F)F 5605286 ZIZIXOJZMZXSQC-MRVPVSSYSA-N 217.190 2.079 0 40 BEAB O=C1CCCC(=O)N1c1ccccc1Cl 5679546 XXRMSLSWCVMJSC-UHFFFAOYSA-N 223.659 2.384 0 40 BEAB Clc1ncc(CSc2ncn[nH]2)s1 5753733 DGJCDHZQSZQKPP-UHFFFAOYSA-N 232.721 2.207 0 40 BEAB CCCCC(=O)NCc1ccc2c(c1)OCO2 6039700 AQJUJOXDUOJZMF-UHFFFAOYSA-N 235.283 2.222 0 40 BEAB CCOCCCOc1ccccc1C(=O)O 8731432 PXHKUOYSXPUESZ-UHFFFAOYSA-N 224.256 2.190 0 40 BEAB O=C(Oc1ccccn1)c1ccc(F)cc1 9554180 SRNQEIBMKDWZKK-UHFFFAOYSA-N 217.199 2.440 0 40 BEAB CC(C)c1ccc(/C=C2/NC(=S)NC2=O)cc1 12341254 UWDHAFPBOPNIDC-YRNVUSSQSA-N 246.335 2.155 0 40 BEAB Oc1n[nH]c2c1cnc1c(Cl)cccc12 14988531 RHLWIZVNNDOKQV-UHFFFAOYSA-N 219.631 2.470 0 40 BEAB c1ccc(CCOC[C@@H]2CCCNC2)cc1 19735446 TYBVHCFOPINRQG-CQSZACIVSA-N 219.328 2.245 0 40 BEAB Cc1ccccc1NC(=O)c1ccncc1N 22073275 ISQOXEQEFSVKRY-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB COc1cc(CN)ccc1OC1CCCC1 22164536 WNSYOBWPUQEKNZ-UHFFFAOYSA-N 221.300 2.475 0 40 BEAB in-vitro O=C(c1cccnc1)N1CCCc2ncccc21 23024493 LTGXPLQUPPZYBK-UHFFFAOYSA-N 239.278 2.070 0 40 BEAB CCOC(=O)C[C@H](N)c1cnc2ccccc2c1 26895777 LHXLIPYYKOVEJT-LBPRGKRZSA-N 244.294 2.188 0 40 BEAB Cc1cc(C)n(-c2ccc(CC(=O)O)cc2)n1 32627916 IYGXMMGBIJLILT-UHFFFAOYSA-N 230.267 2.116 0 40 BEAB in-vitro CCN(C(=O)c1ccc(C)cc1O)C1CC1 32760926 FGPSTLYYSXOTAE-UHFFFAOYSA-N 219.284 2.325 0 40 BEAB O=C(O)c1cnc2[nH]c(Br)cc2c1 32914870 ZGRCZTRTKKEOOV-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CCCc1nc([C@@H](N)c2ccccc2)no1 36763118 TZZYEMOMCNGQRP-NSHDSACASA-N 217.272 2.070 0 40 BEAB in-vitro Brc1ncnc2sccc12 37239141 UNCDNPHSDJPOMS-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB COc1ccc(C2(O)CCN(C(C)C)CC2)cc1 37717040 HZKFNYOVUNRRIN-UHFFFAOYSA-N 249.354 2.387 0 40 BEAB CC[C@@H]1CCCN1c1cc(C(=O)O)ccn1 37915259 CEWWIYDZHOSPDG-SNVBAGLBSA-N 220.272 2.159 0 40 BEAB in-vitro CCN(CC)[C@H](CN)c1cccc(C)c1 38860269 PYCOBKDXVRLWGL-CYBMUJFWSA-N 206.333 2.337 0 40 BEAB CCONC(=O)Cc1ccc(-n2cccc2)cc1 40511944 JSKNWBASRGGAOU-UHFFFAOYSA-N 244.294 2.088 0 40 BEAB O=C(Cc1ccccc1)OCC[C@@H]1CCCCN1 42768762 BPOLSICDBCRNAZ-AWEZNQCLSA-N 247.338 2.305 0 40 BEAB O=C(c1ccccc1CN1CCOCC1)C1CC1 43211501 LNKVHSNWQRIMCU-UHFFFAOYSA-N 245.322 2.112 0 40 BEAB O=c1[nH]c2ccc(OC(F)(F)F)cc2s1 43220511 GREMDOXBEZLLEX-UHFFFAOYSA-N 235.186 2.488 0 40 BEAB in-vitro CCc1ccc(C(=O)N2CCSCC2)cc1 49208872 BVBHSYZVLBDHON-UHFFFAOYSA-N 235.352 2.438 0 40 BEAB COc1c(Cc2ccccc2)cccc1C(N)=O 57352755 LBLHHXSKIFGHEE-UHFFFAOYSA-N 241.290 2.385 0 40 BEAB CCCNC(=O)N(C)Cc1ccc(OC)cc1 57573186 AJVUAGNQVJUGQK-UHFFFAOYSA-N 236.315 2.247 0 40 BEAB N[C@]1(C(=O)O)C[C@@H]1c1ccc(Cl)c(Cl)c1 62712932 CEPAFJXWXPXGOY-LHLIQPBNSA-N 246.093 2.263 0 40 BEAB CC(C)(C)Cc1nc(CCN2CCCC2)n[nH]1 62719458 UMYJHUZYEGSMLE-UHFFFAOYSA-N 236.363 2.032 0 40 BEAB CN1C[C@@H](c2ccccc2)C2(CCNCC2)C1 72389374 JTCAIIRJIBHROI-AWEZNQCLSA-N 230.355 2.085 0 40 BEAB CC(C)[C@@](C)(O)CNc1cccc(F)n1 75050855 CGGZNOTWVIIQHL-NSHDSACASA-N 212.268 2.040 0 40 BEAB Cc1ccc(-c2noc(CCC(=O)O)n2)cc1C 75817330 DBHOAPMNCLTKBD-UHFFFAOYSA-N 246.266 2.371 0 40 BEAB O=C(CCc1ccnc2ccccc12)NC1CC1 76558572 ULLWWDNOTYEJED-UHFFFAOYSA-N 240.306 2.446 0 40 BEAB Cc1occc1C(=O)O[C@H](C)Cn1cccn1 83793696 GOILDMRDYZZDLF-SECBINFHSA-N 234.255 2.030 0 40 BEAB O=C1NCc2cccc(Br)c2N1 84325019 FIJFLXMGAAQGEP-UHFFFAOYSA-N 227.061 2.084 0 40 BEAB C[C@H](N)COCc1cccc(OC(F)F)c1 89262727 AOHRQOMMFIHKBN-QMMMGPOBSA-N 231.242 2.152 0 40 BEAB Cc1oncc1C(=O)NCCc1ccsc1 90614330 PBYLFKPDZSDGBX-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB CCOC[C@@H](C)NC1CCN(CC(C)C)CC1 95419960 CXTBWHPXJNQJEO-CYBMUJFWSA-N 242.407 2.121 0 40 BEAB COCCC1(C(=O)N[C@@H](C)C(C)(C)C)CC1 95449671 PKRVFMGVLIJDCJ-JTQLQIEISA-N 227.348 2.354 0 40 BEAB COC1(CNC(=O)Nc2ccc(C)cn2)CCC1 97372810 QLSZXGWKSSIAOG-UHFFFAOYSA-N 249.314 2.081 0 40 BEAB COc1cc(F)c(C(=O)O)cc1Cl 150337367 IWQHHHJUOHVVOM-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB COC[C@@H](C)N1CCc2sccc2C1 173485361 RBJOTUPXVNFTMN-SECBINFHSA-N 211.330 2.141 0 40 BEAB CCOC[C@H](C)OC(=O)c1csnc1C 190782107 NWHMNKGOSNRJHZ-ZETCQYMHSA-N 229.301 2.033 0 40 BEAB CN[C@H](C)Cc1cc2c(cc1Cl)OCO2 202429047 UUGIOXDVHPQROZ-SSDOTTSWSA-N 227.691 2.219 0 40 BEAB in-vitro C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CCN 215266226 KIHBGMMPOOXDGZ-QWRGUYRKSA-N 242.363 2.228 0 40 BEAB CCCO[C@H](Cc1ccccc1F)C(=O)O 225052886 VHSGXLMBSIBKJA-LLVKDONJSA-N 226.247 2.248 0 40 BEAB CC(C)NC(=O)c1cc(N)ccc1NC(C)C 225452589 SKOAMRWPXIHMDH-UHFFFAOYSA-N 235.331 2.227 0 40 BEAB COc1ccnc(N2CCC(C)=C(C)C2)n1 280986397 MWMDXBXTPUHYEA-UHFFFAOYSA-N 219.288 2.032 0 40 BEAB c1ccc(CN2[C@H]3CSC[C@H]2C3)cc1 307082482 QCVVUHIXSNCZDT-VXGBXAGGSA-N 205.326 2.376 0 40 BEAB CC[C@H](C)N1CCS(=O)(=O)C(CC)(CC)C1 330032475 NUXBBVYHFWQUDU-NSHDSACASA-N 247.404 2.074 0 40 BEAB C[C@@H](C(=O)O)n1cc(Cl)c(C(F)F)n1 408716875 SCMWSJZBLOFXDU-VKHMYHEASA-N 224.594 2.120 0 40 BEAB COC(=O)C1CCC2(CCC(=O)CC2)CC1 575441377 JKZCDOFNRHERNP-UHFFFAOYSA-N 224.300 2.479 0 40 BEAB FC1(F)CCC(Oc2ncccn2)CC1 585650640 CQHUKXLVSXDJBS-UHFFFAOYSA-N 214.215 2.433 0 40 BEAB COc1nc2cccc(Cl)c2cc1N 685937712 XMLSBSDDXFAETO-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB O=c1cc(N2CCCC2)c2ccccc2o1 247545 CTMZKBHKIOWYSZ-UHFFFAOYSA-N 215.252 2.393 0 40 BEAB CCCC(=O)NCCc1nc2ccccc2[nH]1 560915 JYKZPMXXRNLVNV-UHFFFAOYSA-N 231.299 2.022 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cccnc1 1456454 VDURFWVFJPZWIE-LBPRGKRZSA-N 218.300 2.486 0 40 BEAB COc1nc(C)nc2c1cnn2-c1ccccc1 1576820 NOJJVEZDTWGLNZ-UHFFFAOYSA-N 240.266 2.133 0 40 BEAB CCCCC[C@]1(C)OC[C@@H](COC(C)=O)O1 1681923 SRVZUFBIUWFSMG-VXGBXAGGSA-N 230.304 2.261 0 40 BEAB CCCCOC(OCCCC)[C@H](C)N 1733694 WQIXGBHYNSNMOL-JTQLQIEISA-N 203.326 2.293 0 40 BEAB CC1(C)OC(=O)N2NCc3ccccc3[C@@]21C 6668612 SLMYQNUHXKWASE-CYBMUJFWSA-N 232.283 2.151 0 40 BEAB CCOCC(=O)N[C@@H](C)CCc1ccccc1 6758525 YFCYHEUJZAFKNV-LBPRGKRZSA-N 235.327 2.160 0 40 BEAB O=C(O)c1ccc2[nH]c(-c3cccnc3)nc2c1 6953790 DHRPCXYIVJXXJR-UHFFFAOYSA-N 239.234 2.323 0 40 BEAB Cc1c(C(=O)O)cccc1-n1cccc1C=O 8701950 OMTOQLUWAVKXOS-UHFFFAOYSA-N 229.235 2.296 0 40 BEAB CCC(=O)Nc1ccc(NC(C)=O)c(C)c1 10779081 ACDUPAQOYSBPMG-UHFFFAOYSA-N 220.272 2.302 0 40 BEAB CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12295968 TUBLGTZMWYAROQ-MRVPVSSYSA-N 248.282 2.145 0 40 BEAB CCNC(=O)N1CCC[C@@H]2CCCC[C@H]21 16681686 IXPJBWBFZPNKKG-WDEREUQCSA-N 210.321 2.371 0 40 BEAB CCCN[C@H](C)c1ccc2c(c1)OCO2 19440225 ITMRMBILQKXMAL-SECBINFHSA-N 207.273 2.476 0 40 BEAB Cc1c(NCc2cccs2)cnn1C 20351704 IFZVEFLTBYTKAM-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB Cc1ncc(C(=O)O)c(Nc2ccccc2)n1 20385897 FDOHJMWGUQRIQZ-UHFFFAOYSA-N 229.239 2.227 0 40 BEAB COc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C 25309972 QOYOPFKIRGRNSM-VXNVDRBHSA-N 223.247 2.429 0 40 BEAB O=C(C[C@@H](O)C(F)(F)F)c1ccccc1 26842650 LGRAOIBBJUNFDG-SECBINFHSA-N 218.174 2.183 0 40 BEAB in-vitro COc1ncccc1CNc1nc(C)cc(C)n1 32779279 JOMFVPPCHHOZFO-UHFFFAOYSA-N 244.298 2.109 0 40 BEAB CN[C@H]1CCOc2ccc(Br)cc21 35657572 CDYBISOIWYTNHD-VIFPVBQESA-N 242.116 2.492 0 40 BEAB O=C(Nc1ccccc1)c1ccc(Cl)nn1 37485490 UMHHKPUWXKBQBA-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CC1=N/C(=C(/C)c2ccccc2)C(=O)O1 39378572 DWVQEMHQNWOTDC-FLIBITNWSA-N 201.225 2.393 0 40 BEAB COCC(=O)N[C@H](C)c1ccc(Cl)s1 40074606 JDCSZXKQAKRVSE-ZCFIWIBFSA-N 233.720 2.225 0 40 BEAB CCCNC(=O)Nc1ccccc1COC 40527940 IJGVXNBOTJFZGL-UHFFFAOYSA-N 222.288 2.365 0 40 BEAB O[C@@H](Cc1ccc(Cl)cc1)[C@H]1CCCNC1 41282880 WVLIQDBZEYQRSY-AAEUAGOBSA-N 239.746 2.243 0 40 BEAB CCN(Cc1ccccc1)[C@H]1CCCNC1 42783285 UAJKVHDLTQTDQO-AWEZNQCLSA-N 218.344 2.261 0 40 BEAB OCc1cncn1Cc1ccc(Cl)cc1 43224381 UKUATNPCCUQCCL-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB C1=CC[C@H](CNc2ncnc3[nH]cnc23)CC1 49281694 LJNUPNKKQIXIRQ-VIFPVBQESA-N 229.287 2.121 0 40 BEAB Cc1cc(NCc2nccn2C)ccc1F 61097078 QPRUSXIPFVZMSA-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CCSc1ncc(CNC(C)C)cn1 62717318 WKTRKTFYHZWBNP-UHFFFAOYSA-N 211.334 2.087 0 40 BEAB Cc1cccc(C2(CNC(=N)N)CCCC2)c1 69709854 RDPRVOIYHBHOKF-UHFFFAOYSA-N 231.343 2.290 0 40 BEAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCNC3 70451510 FNMJZSKUMMNBNY-UHFFFAOYSA-N 248.713 2.136 0 40 BEAB C[C@](O)(CNC(=O)C1CCCC1)c1ccccc1 70639501 FXSGCLNFCNFVFB-HNNXBMFYSA-N 247.338 2.201 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@H]([C@@H](CN)CO)C2 72210462 OCNAGPQNZVNTGV-MRBYEJRBSA-N 211.349 2.016 0 40 BEAB COC(=O)c1cnc(NC(C)(C)C)cc1C 72223962 VCIOCJIHBFLJFZ-UHFFFAOYSA-N 222.288 2.387 0 40 BEAB CCSc1nc(=O)[nH]c2ccccc12 72265573 BYRNLGRYNJVJGD-UHFFFAOYSA-N 206.270 2.035 0 40 BEAB Cc1cc(C(=O)N2CCCCC2)c(C)[nH]1 74958050 HXQUMBCIOHKYCG-UHFFFAOYSA-N 206.289 2.258 0 40 BEAB CCCn1ccc([C@@H](C)NCCOC)c1 78406129 UJSFNYZQDKETNA-LLVKDONJSA-N 210.321 2.195 0 40 BEAB CNC(=O)NC[C@@H](C)Oc1ccccc1Cl 80613998 KTIUCMLEHOTUSL-MRVPVSSYSA-N 242.706 2.036 0 40 BEAB Cc1sc(CN)cc1Br 82931469 OQXFBPJIZLOBOF-UHFFFAOYSA-N 206.108 2.278 0 40 BEAB Cc1ccc(CNC[C@@H]2CCCn3ccnc32)o1 84195442 FAAKHENOYJIOSX-LBPRGKRZSA-N 245.326 2.452 0 40 BEAB CCONC(=O)CCc1c[nH]c2c(C)cccc12 89988713 KUADHHYYHRKUQW-UHFFFAOYSA-N 246.310 2.477 0 40 BEAB FC(F)(F)c1ccnc(N2CCCOCC2)c1 95408561 ANPVZRBVQQVQAN-UHFFFAOYSA-N 246.232 2.327 0 40 BEAB O=C(c1ccsc1)N1CCC2(CC1)COC2 96051216 OCXQXNJNQOJAKI-UHFFFAOYSA-N 237.324 2.001 0 40 BEAB CCc1ccc(N2CC[C@H](OCCCN)C2)cc1 96528382 IOVVMYBDJTUSHB-HNNXBMFYSA-N 248.370 2.193 0 40 BEAB CC[C@H](N[C@H]1CCC[C@@H]1CCC(C)C)C(N)=O 97105399 CEKIZBRFVMMDTP-AGIUHOORSA-N 240.391 2.445 0 40 BEAB C[C@H](O)[C@@H]1CCCN(Cc2cccs2)C1 97162215 XAGDLWVUYGWZCL-WDEREUQCSA-N 225.357 2.341 0 40 BEAB C1=C2CCCN[C@H]2[C@@H]2C[C@@H]1[C@H]1CCCCN1C2 100038570 SKOLRLSBMUGVOY-KBUPBQIOSA-N 232.371 2.169 0 40 BEAB CCN(CC)[C@H](Cc1ccccc1F)C(=O)O 107843709 NONKRDSRGIDNLL-GFCCVEGCSA-N 239.290 2.163 0 40 BEAB FC(F)(F)c1ccccc1C[C@H]1CNCCO1 116503470 NQQMONYJRRXYEH-JTQLQIEISA-N 245.244 2.236 0 40 BEAB Cc1ccc(Cl)c(OCc2ncnn2C)c1 153622487 MGMHBCCTLQPGFF-UHFFFAOYSA-N 237.690 2.356 0 40 BEAB CCc1ccccc1C[C@H](C(=O)O)N1CCCC1 225142543 PAIJIQAKZCTCSW-CQSZACIVSA-N 247.338 2.341 0 40 BEAB O=C1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]2N1 257250602 JNGCIXLPBVTVSV-AVGNSLFASA-N 231.295 2.185 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H]2CC[C@H]1N2 299888447 JVHNOZNBDNUNIJ-OUAUKWLOSA-N 240.347 2.042 0 40 BEAB CC1=CC(C)(C)N2C(=O)[C@@H](O)c3cccc1c32 1857657201 AUYZCUXSHPSCRL-LBPRGKRZSA-N 229.279 2.262 0 40 BEAB O=C(c1ccco1)n1c(=S)nc2ccccn21 54485 OAZYEFWJQUUASI-UHFFFAOYSA-N 245.263 2.147 0 40 BEAB COCC(=O)c1[nH]c2ccccc2c1C 265982 SQAVRXHTSRPTBG-UHFFFAOYSA-N 203.241 2.305 0 40 BEAB CC(C)[C@H]1NC(=S)N(C2CCCCC2)C1=O 307639 ONXDYTSYCAPBEQ-SNVBAGLBSA-N 240.372 2.060 0 40 BEAB Cc1cccc2c3nnc(S)nc3n(C)c12 974064 LTMGKMNFDCFPFJ-UHFFFAOYSA-N 230.296 2.114 0 40 BEAB S=C(NC[C@@H]1CCCO1)c1ccccc1 1443671 RWKCPHHZFDLSDN-NSHDSACASA-N 221.325 2.131 0 40 BEAB Cc1cc2c(cc1C)-c1c(N)nc(N)nc1CC2 1722906 BHVQGUJCKBZIKY-UHFFFAOYSA-N 240.310 2.023 0 40 BEAB COc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c1 2574429 BBGASWPBIIQSLG-VXGBXAGGSA-N 248.278 2.379 0 40 BEAB CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@H]2C(=O)NC(=O)[C@H]12 4023151 QIHKOLSLJMRHDJ-DDHJBXDOSA-N 233.311 2.054 0 40 BEAB O=C(NCCSCc1ccco1)C1CC1 4364799 FLKABEJVCYDZSS-UHFFFAOYSA-N 225.313 2.039 0 40 BEAB C[C@H]1[C@@H](C2=CCCN2CCO)[C@H]2CC[C@@H]1C2 4706115 ZKIQIBMWSCOAME-NRWUCQMLSA-N 221.344 2.251 0 40 BEAB Cc1cc(C)c2cc(C(=O)O)c(O)nc2c1 5445884 ITHNFZQGOXMUNO-UHFFFAOYSA-N 217.224 2.255 0 40 BEAB S=C(Nc1nncs1)NC1CCCCC1 6886313 ZQKXJCSBQCNDHW-UHFFFAOYSA-N 242.373 2.157 0 40 BEAB CCN1CCC(NC(=O)Nc2ccccc2)CC1 9256231 IKUXMSCODNTDSH-UHFFFAOYSA-N 247.342 2.292 0 40 BEAB C[C@@H](NC(=O)NCc1ccc(F)cc1)C1CC1 9256957 OEPHAXLYXFYEPE-SECBINFHSA-N 236.290 2.423 0 40 BEAB Fc1cc(Cl)ccc1O[C@H]1CCNC1 14632306 ZSDCLAIAWPOQPG-QMMMGPOBSA-N 215.655 2.220 0 40 BEAB in-vitro CCOC(=O)CCCC[C@H]1COC(C)(C)O1 15809803 KWHASROAESAUCA-JTQLQIEISA-N 230.304 2.261 0 40 BEAB CC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136438 PMADKCBJPYCDLQ-UHFFFAOYSA-N 231.251 2.397 0 40 BEAB Cc1csc(NCc2cccnc2)n1 21506846 LNNQGEXNRLQZMO-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB Cc1cc(C(=O)Nc2cn[nH]c2)sc1C 35237434 DTLAPIZEMSODMP-UHFFFAOYSA-N 221.285 2.340 0 40 BEAB CC(=O)c1cccc(NC(=O)NC2CC2)c1 36179060 CQNHNXCOMPLCEV-UHFFFAOYSA-N 218.256 2.173 0 40 BEAB CCCC[C@@H](CC)C(=O)N[C@@H](C)CC(=O)O 37457876 SGJOUOAHSOFHTD-VHSXEESVSA-N 229.320 2.182 0 40 BEAB COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C)nn1 37527387 WHKNFVUBXVJIEX-NXEZZACHSA-N 249.314 2.254 0 40 BEAB O=C(/C=C/c1cccs1)NCC(F)(F)F 38488685 FNZLCLGMKLPMIT-ONEGZZNKSA-N 235.230 2.440 0 40 BEAB C[C@H]1C[C@H](Sc2nccn2C2CC2)C(=O)O1 40489849 UQKIMSPKGOXMOV-CBAPKCEASA-N 238.312 2.014 0 40 BEAB O=C(c1c(Cl)nc2ccccn12)N1CCCC1 40538586 SUYPXPFKZKIYFY-UHFFFAOYSA-N 249.701 2.224 0 40 BEAB Fc1cccc(NCc2ccncc2)n1 40711970 DKDMMXJKAGYRMX-UHFFFAOYSA-N 203.220 2.228 0 40 BEAB CC(=O)N1C[C@H](c2ccc(C)cc2)O[C@H](C)C1 41422260 UNSUUAYHBGLISC-BXUZGUMPSA-N 233.311 2.303 0 40 BEAB Clc1ccc(CNCCn2cccn2)s1 42351658 TUFPMQRZFFNDRN-UHFFFAOYSA-N 241.747 2.388 0 40 BEAB CCN(Cc1ccc(Cl)s1)C(=O)COC 42470257 ZBUNKYCGUHTQCM-UHFFFAOYSA-N 247.747 2.396 0 40 BEAB COc1ccc(NC(=O)c2ccc(C)nc2)cn1 44895762 WFLNVWZXBFJNKN-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CCCCNC(=O)N1CCn2cccc2[C@H]1C 48644361 JQEUQNNPFIPJJG-LLVKDONJSA-N 235.331 2.374 0 40 BEAB c1ccc2nc(O[C@H]3CCCNC3)ccc2c1 51872881 QCNLZCYJQALNDH-LBPRGKRZSA-N 228.295 2.366 0 40 BEAB COc1c(C(N)=O)cc(Cl)c(C)c1C 57339779 XFWXSPFVUNGYCP-UHFFFAOYSA-N 213.664 2.064 0 40 BEAB COCCN(C)[C@@H](C)c1cccc(O)c1 71892979 BLGRCDBEHKPUQA-JTQLQIEISA-N 209.289 2.031 0 40 BEAB Cc1cc([C@@H]2CCCCN2)cnc1S 72218272 ABGDTIFHQWQPRJ-JTQLQIEISA-N 208.330 2.493 0 40 BEAB CC(C)=CC(=O)NCc1nc2ccc(F)cc2[nH]1 80873507 CKMFFVQSVFEAJI-UHFFFAOYSA-N 247.273 2.284 0 40 BEAB CS(=O)(=O)N(CC1CCC1)c1ccccc1 84042600 ZRVAKHVLZHAMQD-UHFFFAOYSA-N 239.340 2.253 0 40 BEAB CC(=O)Nc1ccc(Br)nc1C 91097106 QTVANIFCVRLKDH-UHFFFAOYSA-N 229.077 2.111 0 40 BEAB Oc1cncc(Br)c1Cl 91301455 KZQOYBNJJLOFSJ-UHFFFAOYSA-N 208.442 2.203 0 40 BEAB Fc1ccc2c(c1)OC1(CCNCC1)CC2 91365349 ZFDLTTNXANIPLB-UHFFFAOYSA-N 221.275 2.273 0 40 BEAB FC(F)c1cc(N2CCNCC2)ncc1Cl 95929127 YUJNUNUYEORSDZ-UHFFFAOYSA-N 247.676 2.082 0 40 BEAB C1=CC[C@@H](c2nc([C@H]3CCOC3)no2)CC1 98019212 MZFGEGLAEUDSDJ-ZJUUUORDSA-N 220.272 2.397 0 40 BEAB O=C(Nc1ccncc1F)[C@H]1C[C@H]2C=C[C@H]1C2 102089534 KQAAZCYQNMVSKQ-GUBZILKMSA-N 232.258 2.371 0 40 BEAB CNC(=O)c1ccc2nc(Cl)sc2c1 116992519 QVDUPZYMJUTLNS-UHFFFAOYSA-N 226.688 2.309 0 40 BEAB CCOC(=O)[C@@H]1C[C@H]1c1ccccc1OC 140780463 DXSIVBWICLKCAB-WDEREUQCSA-N 220.268 2.362 0 40 BEAB COCCCN1CCCN(c2ccccc2)CC1 194083353 CHXBMJVYIJYMDE-UHFFFAOYSA-N 248.370 2.235 0 40 BEAB CCCn1cc(NCc2cn(CC)nc2C)cn1 256055046 YWZLSCYUNOKKLI-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB Cc1nnc(N2CC(C)(C)C[C@H]2C)s1 334714791 IPRAKLBDSMXUDA-SSDOTTSWSA-N 211.334 2.471 0 40 BEAB CC(=O)Oc1ccccc1C(=O)[C@H](C)Cl 393730865 PATGITQBVDYZCU-ZETCQYMHSA-N 226.659 2.422 0 40 BEAB CCn1cc(Cl)c(COC(C)C)n1 408715643 YPQBUDRNQJTWHR-UHFFFAOYSA-N 202.685 2.481 0 40 BEAB Cn1ncc(C2CC2)c1/C=C/c1ccncn1 585091653 HTLRFTKESPYQEY-SNAWJCMRSA-N 226.283 2.258 0 40 BEAB CC(=O)c1sc(NC(=O)C(C)C)nc1C 150318 ANFXSJDPGZAMEP-UHFFFAOYSA-N 226.301 2.249 0 40 BEAB FC(F)(Cl)c1nnc2ccc(Cl)nn12 1403890 LJXFPGTUUSLVHF-UHFFFAOYSA-N 239.012 2.066 0 40 BEAB N[C@@H](CCCCC(=O)O)c1ccccc1 6575713 UINZQZCZNDPKGX-NSHDSACASA-N 207.273 2.331 0 40 BEAB in-vitro CCOCCCNC(=O)c1c[nH]c2ccccc12 14233357 LXZDWAJDFAVJEI-UHFFFAOYSA-N 246.310 2.324 0 40 BEAB NCC[C@H](O)c1ccc(Cl)c(Cl)c1 19674828 HXWFGPOOKYZXBX-VIFPVBQESA-N 220.099 2.376 0 40 BEAB in-vitro O[C@@H](CNc1ccccn1)c1ccccc1 22910917 ZEAJXCPGHPJVNP-LBPRGKRZSA-N 214.268 2.227 0 40 BEAB in-man CCCN(CCC)C(=O)c1cccc(C(N)=O)c1 23098675 AXBVNXPKGSLAIV-UHFFFAOYSA-N 248.326 2.048 0 40 BEAB CC(C)COc1ccc(-c2nonc2N)cc1 26509280 ADCJZAWLCQRFGM-UHFFFAOYSA-N 233.271 2.354 0 40 BEAB CC(C)CCC(=O)Nc1nnc2ccccn12 30711821 IAKSBYVYVYPLCX-UHFFFAOYSA-N 232.287 2.104 0 40 BEAB CCn1nc(C)cc1NC(=O)c1ccc(O)cc1 32610561 CEAVCLXLKYMDTD-UHFFFAOYSA-N 245.282 2.169 0 40 BEAB Cc1nc(NC2CCCC2)c2c(n1)c(C)nn2C 32650384 JJVBXYYLNCGTHV-UHFFFAOYSA-N 245.330 2.335 0 40 BEAB C[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 32668125 WFGRONVVJDCEIK-ZDUSSCGKSA-N 238.375 2.121 0 40 BEAB CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1 33019053 ONXLUFBXQPCDMI-QWRGUYRKSA-N 213.321 2.058 0 40 BEAB Cn1ncc(C=O)c1-c1ccc(F)cc1 34929338 KDOBULPPDRXTKE-UHFFFAOYSA-N 204.204 2.039 0 40 BEAB CCCN(CC)c1ccc(C(=O)O)cn1 37095369 BODZUNAZEAVNQF-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB in-vitro CC1CCN(CCNC2CCCC2)CC1 37482364 JLGGUSYXJGNJPH-UHFFFAOYSA-N 210.365 2.251 0 40 BEAB CCN(Cc1ccccc1)C[C@@H]1CCNC1 42783438 XGIIETXEBPAGFH-CQSZACIVSA-N 218.344 2.118 0 40 BEAB O=S1(=O)C[C@H]2CC=C3CCCC[C@H]3[C@@H]2C1 45027903 IDUKJPBRTFHNFG-IJLUTSLNSA-N 226.341 2.168 0 40 BEAB CCN1CCC(C(=O)O)(c2ccccc2)CC1 48106323 MPYNZRXSEXJNCV-UHFFFAOYSA-N 233.311 2.125 0 40 BEAB COc1ncccc1NC(=O)N1CCC(C)CC1 48415290 WQTNPKQILMTJID-UHFFFAOYSA-N 249.314 2.354 0 40 BEAB OCCC[C@H]1CCCN1Cc1ccccc1 52762279 RKQFVFSOECMBDG-CQSZACIVSA-N 219.328 2.424 0 40 BEAB Nc1ccnn1-c1ccccc1C(F)(F)F 71791997 WYKVCSGZMYJZPW-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB O=C(O)c1ccc(Cl)nc1C(F)F 72190630 JBVCDYPLKCPGFA-UHFFFAOYSA-N 207.563 2.371 0 40 BEAB CN[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207665 XAMKXROYRZILBP-GHMZBOCLSA-N 242.363 2.384 0 40 BEAB O=CN1CCC[C@H]1c1ccc2[nH]ccc2c1 72221719 JUQGSTPAVLYTKV-ZDUSSCGKSA-N 214.268 2.461 0 40 BEAB CC[C@@H](N)c1cnc(N2CCCC2)c(C)c1 72222443 MBXCDFKETHOOFO-GFCCVEGCSA-N 219.332 2.400 0 40 BEAB Cc1cncnc1C1CCN(C(C)C)CC1 72348453 JOZXJMDJQACQLI-UHFFFAOYSA-N 219.332 2.373 0 40 BEAB CC(C)N1CCC[C@@H](c2ccnc(N(C)C)n2)C1 72356990 OFJFZBDPAIXHCN-GFCCVEGCSA-N 248.374 2.130 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCN1Cc1ccccn1 72357079 HLXNNVLALVNKFG-ZDUSSCGKSA-N 242.326 2.450 0 40 BEAB CCOc1cc2c(cc1C=O)C[C@H](C)O2 73734415 STSHKBRKZGRSEK-QMMMGPOBSA-N 206.241 2.221 0 40 BEAB CCc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1 78739060 ZQARJYZAXJBHMC-MNOVXSKESA-N 234.343 2.164 0 40 BEAB Cc1csc(C(C)(C)NC[C@H]2CCOC2)n1 78950094 PUKDCKIEEYVADQ-SNVBAGLBSA-N 240.372 2.313 0 40 BEAB C[C@@H](C(=O)O)n1cc(-c2ccc(F)cc2)cn1 85391379 CEFDBSRQVGMRDB-QMMMGPOBSA-N 234.230 2.335 0 40 BEAB O=C(N[C@@H](c1nccs1)C1CC1)C1CC1 89885308 WLBNXNZNZXQZRC-SECBINFHSA-N 222.313 2.120 0 40 BEAB CN(Cc1nccs1)C1CCC(CO)CC1 89924220 DBIVCUOSRDSRLV-UHFFFAOYSA-N 240.372 2.126 0 40 BEAB Cc1ccc(N[C@H]2CCC[C@@H](C(=O)O)C2)nc1 90676120 GNNGXKMWFKSETA-MNOVXSKESA-N 234.299 2.445 0 40 BEAB CC(C)Cc1ccc(CN[C@H](C)CC(N)=O)cc1 95431126 PAMYPKSDBPIEOK-GFCCVEGCSA-N 248.370 2.239 0 40 BEAB Cc1nc(CN2CCO[C@H](C(C)C)C2)oc1C 95465910 NKWIMEFUZXLGGA-LBPRGKRZSA-N 238.331 2.148 0 40 BEAB O=Cc1cnc(Br)c(Cl)c1 95642681 ZHMQXDVVKJUUBH-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB CC(C)[C@H]1CO[C@@]2(CCN(Cc3c[nH]cn3)C2)C1 96072032 RVPDKXPIDLLUSJ-OCCSQVGLSA-N 249.358 2.047 0 40 BEAB COCc1noc(-c2cccc3cc[nH]c23)n1 96435864 XPPWISDFBXQZSK-UHFFFAOYSA-N 229.239 2.364 0 40 BEAB CO[C@H](C)CCOC(=O)c1ccnc(Cl)c1 96442894 BRVFPDDFZGYVDH-MRVPVSSYSA-N 243.690 2.317 0 40 BEAB O=C(Nc1ccncc1F)N[C@@H]1C=CCCC1 97135954 CXUBEYJNNLBUGM-SECBINFHSA-N 235.262 2.451 0 40 BEAB CCOC(=O)[C@@H]1CCCc2cccnc21 98095613 KVJMXJLRPIIKAJ-SNVBAGLBSA-N 205.257 2.065 0 40 BEAB in-vitro N[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@@]12c1ccccc1 103275833 OPWWFTVBORMGFH-NHHHSJTPSA-N 237.346 2.413 0 40 BEAB C[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 131807495 NJXCCGHKHZEURI-PRULPYPASA-N 211.349 2.172 0 40 BEAB CO[C@H]1CCN(c2nc3ccccc3nc2C)C1 170540828 CINUGSCSOUWREN-NSHDSACASA-N 243.310 2.163 0 40 BEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccnc1 225428117 INCQWLCAGQRTMV-CKYFFXLPSA-N 216.284 2.000 0 40 BEAB CCC(=O)Nc1ccc(N2CCCC2)c(N)c1 226262552 HWSLODNAKSKOAV-UHFFFAOYSA-N 233.315 2.218 0 40 BEAB CCCCC[C@@H](O)/C=C/C(=O)OCC 1857793510 CYJIOAVGDLSFJE-AAXQSMANSA-N 200.278 2.047 0 40 BEAB Cc1c(C=O)cnc(N(C)C)c1Br 1888976954 FBMGUTFYWRORIF-UHFFFAOYSA-N 243.104 2.031 0 40 BEAB CCc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 1280918 IBPZGZOKLNSADC-UHFFFAOYSA-N 229.283 2.384 0 40 BEAB CN1C[C@@H]2Cc3ccc(O)cc3[C@@](C)(C2)C1 1566231 CGKYCWJVDWFBSM-YGRLFVJLSA-N 217.312 2.158 0 40 BEAB O=C1CCCN1CCc1c[nH]c2ccccc12 1644731 HUULIVDXAQTZEE-UHFFFAOYSA-N 228.295 2.333 0 40 BEAB CCCCO[C@@H]1OCCO[C@H]1OCCCC 1667332 UYPCMUPTDVQWQA-VXGBXAGGSA-N 232.320 2.319 0 40 BEAB CC[C@H](CC(C)C)C(=O)OCCOC 1672086 UUWAEGBBWCZTRZ-SNVBAGLBSA-N 202.294 2.248 0 40 BEAB COC(=O)[C@H](CC(=O)O)CC1CCCCC1 2243692 TYYNOKUMAOAVBK-JTQLQIEISA-N 228.288 2.221 0 40 BEAB CCOc1ccc(NCc2cnn(C)c2)cc1 2536120 PZFPYVIECDZSAI-UHFFFAOYSA-N 231.299 2.431 0 40 BEAB O[C@H]1[C@@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1C2 4026740 LGLZRUQGFUJOOH-FHUSYTEZSA-N 210.317 2.089 0 40 BEAB NC(=O)/C=C\c1csc2ccccc12 4990869 JJBNYLKFGGHRCW-WAYWQWQTSA-N 203.266 2.400 0 40 BEAB Cc1cc(C(=O)Nc2ccc(F)cc2)on1 5403584 MTXVQDCMAYHXCB-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB COc1cc(OC)c(SC)cc1C[C@@H](C)N 6036792 BEMIKIUJWHLJTP-MRVPVSSYSA-N 241.356 2.315 0 40 BEAB CC(=O)c1c(O)nc2cc(C)ccn2c1=S 8955160 RFMVHAWUXZOIQK-UHFFFAOYSA-N 234.280 2.280 0 40 BEAB Fc1ccc(OCC2CCNCC2)c(F)c1 14631511 DUVKPVKTKMAXTM-UHFFFAOYSA-N 227.254 2.343 0 40 BEAB CCOc1ccc(C(=O)OC)cc1OCC 16970777 ILLNPVIYONXHGS-UHFFFAOYSA-N 224.256 2.271 0 40 BEAB COc1ccc(C(=O)Nc2ccccn2)c(O)c1 19837365 WBXYPKPDECPPPA-UHFFFAOYSA-N 244.250 2.048 0 40 BEAB Cc1c([C@H](C)NC(=O)[C@@H]2CC=CCC2)cnn1C 25001350 ZRIWVJQQFSTCRO-CMPLNLGQSA-N 247.342 2.262 0 40 BEAB O=C(Nc1ncccc1O)c1cc(Cl)ccn1 28024512 WKGYMEWBOFPGND-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB CCCNC(=O)c1ccn(C2CCCC2)n1 28222993 RZCFRPAUIYGNAW-UHFFFAOYSA-N 221.304 2.138 0 40 BEAB CC[C@@H](C)NC(=O)CSc1ccccn1 32910050 ZRIFGOAUBNLCOT-SECBINFHSA-N 224.329 2.088 0 40 BEAB COCSc1nc2ccccc2n1C 32910535 WIUBOHNEVMDTIQ-UHFFFAOYSA-N 208.286 2.269 0 40 BEAB Cc1noc(-c2cc(N)ccc2Cl)n1 37484029 AXEWKWXWFDRYDP-UHFFFAOYSA-N 209.636 2.281 0 40 BEAB Cc1ccc(CCC(=O)O)c(F)c1F 38530048 BZQMQILMVGTKQG-UHFFFAOYSA-N 200.184 2.290 0 40 BEAB Cc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1 40161792 IMIYYNWKYBWOJH-ZIAGYGMSSA-N 249.354 2.483 0 40 BEAB O=C(CCc1cccnc1)Nc1cccnc1 40465440 ZUNHJTSGZHXARJ-UHFFFAOYSA-N 227.267 2.048 0 40 BEAB COc1cccc(CNc2ccncn2)c1 40863189 GONPMNIVXCLUJW-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB Cc1cc(F)ccc1S(=O)(=O)NC(C)(C)C 42665625 IYIPJXCGHDCRPF-UHFFFAOYSA-N 245.319 2.211 0 40 BEAB CCN(CCO)Cc1ccc(Cl)cc1 49754176 MNRNYVNQRQJGDY-UHFFFAOYSA-N 213.708 2.154 0 40 BEAB O=c1ccc(F)cn1Cc1ccccc1 71516305 SLLYGDXMWKPUHX-UHFFFAOYSA-N 203.216 2.036 0 40 BEAB CCc1csc(N2CCSCC2)n1 71921684 LXGXLYATDZCQKF-UHFFFAOYSA-N 214.359 2.259 0 40 BEAB Cc1cccnc1[C@@H]1CCCCN1C=O 72211163 AUFKVMFTOFAZLO-NSHDSACASA-N 204.273 2.073 0 40 BEAB CN(C)c1ccc(C2=NCCCC2)cn1 72212607 QIGIBHUDZLTDPS-UHFFFAOYSA-N 203.289 2.121 0 40 BEAB Cc1nc(N2CCCCC2)ccc1[C@@H](C)N 72224550 ZJZXMKFJLGFPQO-SNVBAGLBSA-N 219.332 2.400 0 40 BEAB Cc1nc([C@@H]2CCCN2C(=O)CC(C)C)no1 72361279 LNEORWDCCPSSJD-JTQLQIEISA-N 237.303 2.088 0 40 BEAB O=C(O)c1ccc([C@H]2CCCCN2)cc1 75869120 QYUXAHUIKUOCQP-LLVKDONJSA-N 205.257 2.199 0 40 BEAB Cc1cc(C)c(C(=O)N[C@H]2CCOC2)c(C)c1 89236265 XBOYRQVPGHECEU-LBPRGKRZSA-N 233.311 2.131 0 40 BEAB O=C(O)c1cc(O)c(Cl)c(F)c1F 90413416 GZVMSWWFTNQKGC-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB in-vitro Nc1ccccc1-c1nc(C=O)cs1 90669487 XIOBZDZPVJZSIH-UHFFFAOYSA-N 204.254 2.205 0 40 BEAB O=C(O)Cc1ccc(C(F)(F)F)nc1Cl 91297120 UUQAJNPRYAFEAG-UHFFFAOYSA-N 239.580 2.381 0 40 BEAB CC(C)COC[C@H](C)NC(=O)NC(C)(C)C 95411238 XLESSHYBBLGKLF-JTQLQIEISA-N 230.352 2.145 0 40 BEAB C[C@@H](NC(=O)c1c[nH]c2ncccc12)C1CC1 95954610 MGIHORUGUMSTKA-MRVPVSSYSA-N 229.283 2.091 0 40 BEAB O=C(Nc1ccccc1)N1CC[C@H]2OCC[C@H]2C1 96054948 OCQGTLKSIFYWBR-WCQYABFASA-N 246.310 2.329 0 40 BEAB Cc1nc(Cl)cc(C(=O)N2CCCCC2)n1 96182454 QURJSKWBIRCHNJ-UHFFFAOYSA-N 239.706 2.065 0 40 BEAB CO[C@@H](C)CCOC(=O)c1ccc(Cl)cn1 96442873 ZQJNYPUOAHHGLV-QMMMGPOBSA-N 243.690 2.317 0 40 BEAB CC1(CNCCOc2ccccc2)CCOCC1 97113522 NUIHCGXDKUVBQG-UHFFFAOYSA-N 249.354 2.472 0 40 BEAB O=C(O)c1c(O)cc(F)c(F)c1Cl 98175176 XJSKDTGMYKMEQM-UHFFFAOYSA-N 208.547 2.022 0 40 BEAB CO[C@@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2 106846126 OOPLSSYSZHFKFT-MVWJERBFSA-N 238.356 2.061 0 40 BEAB Cn1cc(C(=O)NC2CCCCCCC2)cn1 137162471 SFPWWBZLFOJDNW-UHFFFAOYSA-N 235.331 2.263 0 40 BEAB CCCC[C@@H]1CCC[C@H]1N[C@H]1CCN(C)C1=O 248999873 IJFMWDPLKNRNAQ-UPJWGTAASA-N 238.375 2.166 0 40 BEAB COC(=O)c1ccc2nc(OC)ccc2c1 256054514 WPXBDLZCRHRSPV-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB c1ccc(CO[C@H]2CNCC[C@@]23CCCO3)cc1 257202641 AMSIXYZLRHTKJZ-GJZGRUSLSA-N 247.338 2.114 0 40 BEAB C[C@@H](F)[C@H]1CN(Cc2ccccc2)CCO1 261506719 AILCJMUBAAZTJT-DGCLKSJQSA-N 223.291 2.245 0 40 BEAB Cc1c(O)c(=O)ccn1CC1CCCCC1 575410746 FFQQLUQICDJVJX-UHFFFAOYSA-N 221.300 2.443 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCC[C@@H](N)C2)C1 606301702 XRKOWYCELVXFLF-SNVBAGLBSA-N 240.347 2.125 0 40 BEAB C[C@H]1Cc2c(N)ccc(Br)c2O1 616567659 KNWSNSAAZFCILZ-YFKPBYRVSA-N 228.089 2.355 0 40 BEAB Cn1cnc(-c2c(F)cc(Cl)cc2F)n1 2362801746 QDTLKPWVEKCPNZ-UHFFFAOYSA-N 229.617 2.414 0 40 BEAB CC1(C)C(c2ccccc2)=[N+]([O-])C(C)(C)N1O 120643 MLSJXLQAJPYPSI-UHFFFAOYSA-N 234.299 2.206 0 40 BEAB CC[C@H](Sc1nc2ccccc2o1)C(N)=O 175293 XNKYTIRNYODOHO-VIFPVBQESA-N 236.296 2.184 0 40 BEAB O=C(CC(=O)c1ccccc1)Nc1ccccn1 363815 UIRZFLDAYHVJOK-UHFFFAOYSA-N 240.262 2.293 0 40 BEAB CCOC(=O)Nc1ccc(C(=O)OCC)cc1 1649285 XUPOFTOETXEMST-UHFFFAOYSA-N 237.255 2.432 0 40 BEAB Cc1ccc([C@@H]2NCCn3cccc32)cc1 2455015 JIDRGEGDAHDJFW-AWEZNQCLSA-N 212.296 2.489 0 40 BEAB COc1c(Br)ccc2c1C(=O)C2 3847825 LDUCLBYHNTZTCE-UHFFFAOYSA-N 227.057 2.197 0 40 BEAB biogenic COc1ccc(NC(=O)C2(C)CC2)c(OC)c1 5424219 FQFVOFUHPNYYSI-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB COc1ccc2nc(C)c(CN(C)C)c(O)c2c1 8660989 UIIYVPNXAGQZJM-UHFFFAOYSA-N 246.310 2.319 0 40 BEAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccn1 12539691 LZUISMOFPUQCMO-LLVKDONJSA-N 246.310 2.063 0 40 BEAB CC(=O)c1ccc(NC(=O)NCC2CC2)cc1 25237568 VRFKEOVAMRCWFI-UHFFFAOYSA-N 232.283 2.421 0 40 BEAB FC(F)(F)c1ccnc(-c2cn[nH]c2)c1 32587043 KNGHAPDBZVDQKQ-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](O)C1CCCCC1 33994635 KCTVOLJZORBLPX-LLVKDONJSA-N 243.347 2.452 0 40 BEAB CCCCc1ccc(-n2cc(C(=O)O)nn2)cc1 36666861 QRDGVQSCPKWTED-UHFFFAOYSA-N 245.282 2.308 0 40 BEAB CN[C@@](C)(C(=O)O)c1ccccc1C(F)(F)F 37180673 KBMWTUFMOVJUEB-SNVBAGLBSA-N 247.216 2.225 0 40 BEAB CCn1c(CNC)nc2cc(Cl)ccc21 37440434 SCOPSDJKEGLEGA-UHFFFAOYSA-N 223.707 2.429 0 40 BEAB CCn1c(CCN)nc2cccc(Cl)c21 37443881 WHLAUPFCDFCFRO-UHFFFAOYSA-N 223.707 2.211 0 40 BEAB FC(F)(F)c1cn2ccnc(Cl)c2n1 40434489 KQJHKSUQZLPAIG-UHFFFAOYSA-N 221.569 2.402 0 40 BEAB in-vitro COc1ccccc1CCNC(=O)C(C)(C)C 40457594 PORZLKOCKCRLDM-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB O=C(OCC[C@@H]1CCCNC1)C1CCCC1 42769361 YHKFPVKPYRMXJY-NSHDSACASA-N 225.332 2.110 0 40 BEAB C[C@H]1Oc2ccc(Br)cc2C1=O 43633233 PHMGSVNWPDXFLL-RXMQYKEDSA-N 227.057 2.413 0 40 BEAB COc1ccc(CNC(=N)NC2CCCC2)cc1 48069760 YTLAPIGQVAUCPS-UHFFFAOYSA-N 247.342 2.252 0 40 BEAB NC(=O)c1[nH]c2ccccc2c1Br 48671914 MXWHMYZFAOYIBX-UHFFFAOYSA-N 239.072 2.029 0 40 BEAB O=C(O)CN(Cc1ccc(F)cc1F)C1CC1 50885389 GJWRAQPOUKXHKR-UHFFFAOYSA-N 241.237 2.014 0 40 BEAB OC1(c2ccc(Br)cc2)CC1 54346804 CKWRAYGCDLYUSQ-UHFFFAOYSA-N 213.074 2.431 0 40 BEAB in-vitro Cc1ccccc1NC(=O)NC[C@](C)(O)C1CC1 62021803 QBLDGIGMNXXHJB-AWEZNQCLSA-N 248.326 2.278 0 40 BEAB Cc1ccccc1C(C)(C)CNC1=NCCCN1 66245871 HHYIDOICDQRZIN-UHFFFAOYSA-N 245.370 2.212 0 40 BEAB Brc1cnc([C@@H]2CCCCN2)nc1 70946823 QQFVSWZPVTVAOX-QMMMGPOBSA-N 242.120 2.054 0 40 BEAB CN(C)c1nccc(N(C)CC2CCCC2)n1 77213780 BZWRLOJKSYBBKQ-UHFFFAOYSA-N 234.347 2.169 0 40 BEAB CCCCN1C(=O)CC2(CCCC2)NC1=O 82770821 RJVWRKNEARODDS-UHFFFAOYSA-N 224.304 2.041 0 40 BEAB Cn1cc(Nc2ccncc2Cl)cn1 86833050 VMPDYXZBCVDWEA-UHFFFAOYSA-N 208.652 2.212 0 40 BEAB O=C(NCC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccco1 89794478 QIEGNWXQQIJIHU-QJPTWQEYSA-N 249.310 2.068 0 40 BEAB CCOCC1CCN(Cc2cccn2C)CC1 93394478 RTUBXXIQDAVAFQ-UHFFFAOYSA-N 236.359 2.274 0 40 BEAB CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 95404070 PNPLLXYCHPWYRE-TZMCWYRMSA-N 215.296 2.027 0 40 BEAB COC(=O)c1cccc2[nH]c(=S)oc12 95761140 ONQOTPJCDCKJMO-UHFFFAOYSA-N 209.226 2.277 0 40 BEAB CC(C)(C)OC(=O)n1ccc2c(N)ccnc21 95937074 SVBSQUGWTCZTRK-UHFFFAOYSA-N 233.271 2.402 0 40 BEAB O=C1OC2(c3ccccc3)[C@H]3CCC[C@H]2C13 100586111 PTVIARLALXPYHC-PZFKGIAWSA-N 214.264 2.485 0 40 BEAB CC(=O)n1c(C)c(C(=O)O)c2ccccc21 216948817 GQAFCPYDICORAA-UHFFFAOYSA-N 217.224 2.308 0 40 BEAB CC(C)COCCN(C)[C@H](C)c1cnn(C)c1 225722481 HAZLYCAYFUCBJB-GFCCVEGCSA-N 239.363 2.086 0 40 BEAB C/C=C/COc1nn(C)c2ccc(N)cc12 225771064 GGIXASPANDPOTP-ONEGZZNKSA-N 217.272 2.110 0 40 BEAB COc1ccc(-n2cnc3ncccc32)cc1 228919118 OQCOPLDKNSKYNQ-UHFFFAOYSA-N 225.251 2.429 0 40 BEAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Cl)cc1 229555980 SFOBGUYMDMJKQT-MFKMUULPSA-N 239.746 2.243 0 40 BEAB Cn1c(-c2cc(N)on2)cc2ccccc21 258260314 UAWHGHUAACNZSZ-UHFFFAOYSA-N 213.240 2.416 0 40 BEAB C[C@@H](CCCCO)N[C@@H]1CSC1(C)C 379666357 XHJOABHGVMIMJG-VHSXEESVSA-N 217.378 2.021 0 40 BEAB CCCCn1cc(Cl)c(C(=O)OC)n1 408716435 MZUVDYRAFXJJOU-UHFFFAOYSA-N 216.668 2.123 0 40 BEAB CCCCNC(=O)[C@@H](C)N1CCC=C(Cl)C1 585141455 WBUKZECVGRBZDW-SNVBAGLBSA-N 244.766 2.120 0 40 BEAB CN(c1cc(C(F)(F)F)ccn1)[C@@H]1CC[C@H]1O 585298018 NTPJQBNFAUGXIT-RKDXNWHRSA-N 246.232 2.060 0 40 BEAB CN(C)c1cc(-c2cnn(C(F)F)c2)ccn1 904848918 HZEZWGFYOPETDN-UHFFFAOYSA-N 238.241 2.406 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@]12CCC(=O)C2 953101444 FOMAZBUASADAQK-GFCCVEGCSA-N 225.288 2.119 0 40 BEAB Cc1ccccc1-c1n[nH]cc1N1CCOCC1 1775985907 HZYLDDVOKFQJCZ-UHFFFAOYSA-N 243.310 2.222 0 40 BEAB c1cc(-c2cnc(NC[C@H]3CCCO3)nc2)co1 1888897097 ZZFFRRZHMZGHSZ-GFCCVEGCSA-N 245.282 2.328 0 40 BEAB CC(=O)O[C@@H](CN1CCCC1)C(C)(C)C 106432 DKXYAWDMVVNISY-NSHDSACASA-N 213.321 2.060 0 40 BEAB CCn1cnc2c(=O)oc3ccccc3c21 368609 SBCQNEWBFMWUOB-UHFFFAOYSA-N 214.224 2.163 0 40 BEAB C=C(c1ccccc1)N1N=N[C@@H]2CCO[C@@H]21 1579981 YFBDYCQTMWEQOA-NEPJUHHUSA-N 215.256 2.455 0 40 BEAB Cc1cc(Nc2ncnc(Cl)c2N)ccc1N 1686149 FSEHQGRSBUYKSZ-UHFFFAOYSA-N 249.705 2.346 0 40 BEAB O=C(c1cccc(O)c1)c1ccccc1O 1687604 OCLYELQBMFRPIL-UHFFFAOYSA-N 214.220 2.329 0 40 BEAB C[C@H](CC(=O)c1ccc(F)c(F)c1)C(=O)O 2539861 AULAEUGQEJLYAQ-ZCFIWIBFSA-N 228.194 2.258 0 40 BEAB in-vitro COc1cc(/C=C/C(=O)O)cc(Cl)c1OC 3298528 FZFFFBWBOZMKEP-ONEGZZNKSA-N 242.658 2.455 0 40 BEAB O=C(O)CCSc1ccccc1F 4218858 JPMXZLIXJBBIGL-UHFFFAOYSA-N 200.234 2.393 0 40 BEAB in-vitro C[C@@H]1C[C@H](c2ccccc2)C(=O)CN1C 4692450 YFDVANILCDHZCK-ZYHUDNBSSA-N 203.285 2.063 0 40 BEAB COc1ccc(-c2nn[nH]n2)cc1C(C)(C)C 5379867 YJQICZJMABCAKE-UHFFFAOYSA-N 232.287 2.173 0 40 BEAB CC(C)N1CNc2nc3ccccc3n2C1 5858880 FWTUBIMXHVVJAR-UHFFFAOYSA-N 216.288 2.087 0 40 BEAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(=O)[nH]1 8772631 RPEPCQJHDDFTRH-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB Cc1ccc(NC(=O)Cn2ccnc2)c(Cl)c1 10809299 BBXLVTWCYQZRAV-UHFFFAOYSA-N 249.701 2.484 0 40 BEAB O=C(N[C@H]1CCCc2occc21)c1ccncc1 12874345 ZGGHFTYPFIEUPY-LBPRGKRZSA-N 242.278 2.482 0 40 BEAB Oc1nnnc2c(Cl)cc(Cl)cc12 16972742 QZJXNGLZXVQFIJ-UHFFFAOYSA-N 216.027 2.037 0 40 BEAB c1ccc(CNCCc2ccccn2)cc1 19795645 WUDUNBALAGWKQB-UHFFFAOYSA-N 212.296 2.414 0 40 BEAB in-vitro C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(N)cc2)C1 22211987 AYRDHDUDIMCTDJ-PHIMTYICSA-N 232.327 2.387 0 40 BEAB COc1ccc(C(=O)Nc2nc(C)ns2)cc1 28232095 ADDAICJKEPCZRN-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB CCCn1nccc1C(=O)N1CCC[C@@H](C)C1 32611550 GHAPALJBBHCCKU-LLVKDONJSA-N 235.331 2.165 0 40 BEAB COC(=O)CCCOc1ccc(C)cc1OC 37286789 VVAHVTHUWLDFCB-UHFFFAOYSA-N 238.283 2.336 0 40 BEAB CN(C)[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 37358373 BLTUARSBOPVNQH-VIFPVBQESA-N 247.216 2.393 0 40 BEAB O=C(Nc1ccncc1)OCC(F)(F)F 38342213 QBKKWJBKQQNTFD-UHFFFAOYSA-N 220.150 2.192 0 40 BEAB in-vitro CN(C(=O)OCc1ccccc1)C1CC1 39406749 CGMPZOFLZKZSGH-UHFFFAOYSA-N 205.257 2.417 0 40 BEAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2 40746646 WDRRLINXLDSPDU-PBWFPOADSA-N 244.338 2.042 0 40 BEAB in-vitro CCOC(=O)CN(Cc1cccs1)C1CC1 42238744 AHSMZFVCCMVYPF-UHFFFAOYSA-N 239.340 2.276 0 40 BEAB O=S(=O)(Cc1ccccc1)c1ccccn1 47620554 DHGLVTBPYFPTFX-UHFFFAOYSA-N 233.292 2.056 0 40 BEAB Cc1cc(C(=O)NCCc2cccc(F)c2)no1 47833881 BUGSTGJFRAQDSK-UHFFFAOYSA-N 248.257 2.095 0 40 BEAB FC(F)(F)COc1ccnc(Cl)n1 51848835 JBEXWWMOEXZMLL-UHFFFAOYSA-N 212.558 2.071 0 40 BEAB CC[C@H](C)Nc1ncnc2c(C)nn(CC)c12 57312366 BBCXNRUNTBOLPP-QMMMGPOBSA-N 233.319 2.365 0 40 BEAB CCS(=O)(=O)c1ccccc1Cl 60916659 YTYIZQUDGMUHRY-UHFFFAOYSA-N 204.678 2.134 0 40 BEAB COC(=O)CC[C@H](N)CC1CCCCC1 61893262 PGGHXJSPFWPOBV-NSHDSACASA-N 213.321 2.237 0 40 BEAB O[C@H](Cn1cccn1)c1ccc(Cl)cc1 62702415 NHYRDZUFSXUHDC-LLVKDONJSA-N 222.675 2.270 0 40 BEAB CC[C@@H](Cc1cc(OC)cc(OC)c1)C(=O)O 62711270 YLBGWOWOGFNMKB-JTQLQIEISA-N 238.283 2.357 0 40 BEAB O=C1OC2(CCNCC2)c2cc(Cl)ccc21 64034179 PPOXXTNBVWWOID-UHFFFAOYSA-N 237.686 2.089 0 40 BEAB NCc1cn(Cc2ccc(Cl)cc2)cn1 71524059 NVPCBOCKXJIBHA-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB CCCCN1CCC[C@@H]1c1cnn(C)c1 71797151 OCGSLDQZAQWENZ-GFCCVEGCSA-N 207.321 2.357 0 40 BEAB O=C(O)c1nc2ccccc2nc1C(F)(F)F 72137442 CALWBEPGJZCNIE-UHFFFAOYSA-N 242.156 2.347 0 40 BEAB CCOC(=O)C[C@@H](NC)c1ccc(F)cc1 72210279 HOSWPHPJGUPZOJ-LLVKDONJSA-N 225.263 2.039 0 40 BEAB COC(=O)c1cnc(N2CCCCC2)cc1C 72223491 RZHFTILLBNNBAT-UHFFFAOYSA-N 234.299 2.167 0 40 BEAB CC(=O)N[C@@H](C)c1nc2cccnc2n1C(C)C 72373493 ANYHADHIVOGOCA-VIFPVBQESA-N 246.314 2.209 0 40 BEAB COCn1c(C)cc2c(Cl)c(C=O)cnc21 79069831 KOUQOVPTMFZNIX-UHFFFAOYSA-N 238.674 2.415 0 40 BEAB c1n[nH]c2c1[C@@H](c1nc(C3CC3)no1)CCC2 89764904 YTZDEMMSQVITEZ-QMMMGPOBSA-N 230.271 2.138 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CN 91252262 NYPPQRSVUJQKTO-UWVGGRQHSA-N 228.336 2.029 0 40 BEAB C[C@@H](NC(=O)Nc1ccncc1F)C1CC1 95940256 KLPJDIDMFKIYII-SSDOTTSWSA-N 223.251 2.141 0 40 BEAB CCNC(=O)/C=C(\C)c1ccc(F)cc1 96035605 YDUNYMLOTHBTKW-CMDGGOBGSA-N 207.248 2.365 0 40 BEAB CN(C)c1ccccc1NC(=O)Nc1cn[nH]c1 98025760 LRTTUAMEAHMGKQ-UHFFFAOYSA-N 245.286 2.120 0 40 BEAB O=C1[C@@H]2[C@H]([C@@H]3[C@H]4C=C[C@H](C4)[C@@H]13)[C@H]1C=C[C@H]2C1 103900395 ZLXHZSNEHVHERY-AWYHCFLISA-N 212.292 2.446 0 40 BEAB C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 139027013 VEEUIJVNQJDUKD-SFYZADRCSA-N 203.257 2.354 0 40 BEAB Cc1cc(C)n2nc(Br)cc2n1 169319401 YYABKGZMJUSQEV-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB O=C(c1ccco1)N1[C@H]2C=CC[C@H]1CC2 211132814 FLPYLROFFZYGJJ-UWVGGRQHSA-N 203.241 2.213 0 40 BEAB C[C@H]1C[C@@H](C)c2ccc(OCC(=O)O)cc2N1 217612959 KBNHGSBSGMCWGC-BDAKNGLRSA-N 235.283 2.458 0 40 BEAB CCCOC(=O)c1ccc(NC2CC2)c(N)c1 225409153 DXVFTHABSLGTTP-UHFFFAOYSA-N 234.299 2.410 0 40 BEAB Cc1nc2ccccc2n1[C@@H]1CC[C@@H]1O 585298976 XNCQQVKPUUFWOW-NEPJUHHUSA-N 202.257 2.041 0 40 BEAB CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 606289696 LTDAANNGNROGHI-MWLCHTKSSA-N 241.331 2.469 0 40 BEAB NC1C2CC3(Cl)CC1CC(Cl)(C2)C3 2134791438 IGYWWZKVFSMAMZ-UHFFFAOYSA-N 220.143 2.493 0 40 BEAB COc1ccc(C)cc1NC(=O)c1cnccn1 303894 ZAFPCUCAMRAOFP-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CCOc1ccccc1OC[C@@H](C)CNC 347612 VECVBXNLLYNSTL-NSHDSACASA-N 223.316 2.320 0 40 BEAB COc1cccc(NC(=O)c2snnc2C)c1 385510 IUDXCGCXMMLLPW-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB Cc1ccc(-n2nnnc2-c2ccco2)cc1 411414 XGCWGIDYIZEQBL-UHFFFAOYSA-N 226.239 2.231 0 40 BEAB CC[C@](C)(NC=O)C(=O)Nc1c(C)cccc1C 493784 SJUBAGMYKASKEM-AWEZNQCLSA-N 248.326 2.157 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CO)C1 2518243 LBJSEPNOVVUVJA-ZJUUUORDSA-N 229.320 2.062 0 40 BEAB O=C(OCC(=O)c1ccc[nH]1)c1ccccc1 3337503 VVDDSBJBGDSEJF-UHFFFAOYSA-N 229.235 2.054 0 40 BEAB O=C1c2ccccc2[C@H](O)N1Cc1cccs1 4108789 OSDOXTSQSIHFHD-LBPRGKRZSA-N 245.303 2.395 0 40 BEAB CC(=O)N1N=C(C)C[C@H]1c1ccccc1 4599812 DFKZGQLECGUOJV-LBPRGKRZSA-N 202.257 2.356 0 40 BEAB CCCC[C@@H]1CN1P(=O)(OC)OC 4983418 OSPFUUYPZHQJSG-VEDVMXKPSA-N 207.210 2.262 0 40 BEAB CC[C@@H](C)NC(=O)COc1ccccc1C 5467655 DOMJGBAMPRIMHZ-LLVKDONJSA-N 221.300 2.289 0 40 BEAB O=C(N1CCCCCC1)C(F)(F)Cl 5621508 ROEOPVBTIOBFRN-UHFFFAOYSA-N 211.639 2.221 0 40 BEAB CC(C)NC(=O)COc1cccc2cccnc12 6128061 LPJLAIIGKJETIC-UHFFFAOYSA-N 244.294 2.138 0 40 BEAB Cc1nn(C(=O)CCCC(=O)O)c2ccccc12 6750001 LAGDKFVCJSUZOY-UHFFFAOYSA-N 246.266 2.240 0 40 BEAB CCC(=O)N1CCCc2ccc(NC(C)=O)cc21 8803550 DPPSIUHJXAENSX-UHFFFAOYSA-N 246.310 2.334 0 40 BEAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(N)=O 9368013 LLQOXGRGCWNZED-SECBINFHSA-N 240.306 2.224 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)O 12318417 UJNOLBSYLSYIBM-KKOKHZNYSA-N 228.332 2.371 0 40 BEAB biogenic C[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 13019327 ZTPCUNRIPJRXME-GWCFXTLKSA-N 242.322 2.483 0 40 BEAB COc1ccc(CCc2ncc[nH]2)cc1 13216120 LUDLMOYAVCWPCD-UHFFFAOYSA-N 202.257 2.204 0 40 BEAB Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(C)C2 14618143 IWRJCMQFEMXOML-UHFFFAOYSA-N 248.322 2.309 0 40 BEAB biogenic,in-vitro Cc1ccccc1NC(=O)Nc1cnccn1 15952152 VUCIRFOFGHHABW-UHFFFAOYSA-N 228.255 2.429 0 40 BEAB CCc1ccc2nc3[nH]nc(N)c3cc2c1 15990328 HYNZISBOSPUEJO-UHFFFAOYSA-N 212.256 2.256 0 40 BEAB CCn1nccc1CN(C)C(=O)CC(C)(C)C 28219293 RIOYWOGJBQGBKS-UHFFFAOYSA-N 237.347 2.298 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@@H]2[C@H](C)N)c1 36922581 SCBRMCDRXPTYCI-ZEGGKSINSA-N 221.300 2.155 0 40 BEAB CCOC(=O)[C@@H]1CCNc2ccccc21 40448692 KAPGAOSLPHJFCS-SNVBAGLBSA-N 205.257 2.149 0 40 BEAB in-vitro CNC(=O)c1ccc(C)c(NC(=O)C=C(C)C)c1 40509206 BPTTWUAJSHIONV-UHFFFAOYSA-N 246.310 2.259 0 40 BEAB CC(C)c1ccc([C@H](CC(=O)O)C(=O)O)cc1 41268947 RKVKEZGFRSYYFO-NSHDSACASA-N 236.267 2.453 0 40 BEAB CCc1ccc(NC(=O)/C(C)=C/C(=O)O)cc1 45008467 HBAQBIDLFGHHKV-CMDGGOBGSA-N 233.267 2.218 0 40 BEAB CCOC(=O)c1cc(Br)cnc1F 47202652 UHKQPXFIJCJKBK-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB in-vitro C[C@@H](CNC1CCCC1)C(=O)OC(C)(C)C 47219132 HKHKVMSWNAZYCV-JTQLQIEISA-N 227.348 2.496 0 40 BEAB COC(=O)c1cccc(OCC(F)(F)F)c1 62152072 JXHXPGXYHFEPBQ-UHFFFAOYSA-N 234.173 2.414 0 40 BEAB Cc1cccnc1NC(=O)c1cscn1 62658468 JDHNEGONDGXLIJ-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CC[C@@H]1CCCCN1C(=O)CCn1cccn1 69452648 GMSYSRXESPTOEW-GFCCVEGCSA-N 235.331 2.064 0 40 BEAB CC(C)(C)c1ccc(CCNC(=N)N)cc1 71522033 WIZIHURVNUZSJS-UHFFFAOYSA-N 219.332 2.010 0 40 BEAB CC(C)Oc1ccc([C@@H]2CCCN2)cn1 72211881 MOGGOPROCNNQJW-NSHDSACASA-N 206.289 2.293 0 40 BEAB Cc1cc([C@@H]2CCCCN2)cnc1N(C)C 72218632 MBZGIBGSDXXJLK-LBPRGKRZSA-N 219.332 2.271 0 40 BEAB Cc1nc(C)c(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)o1 73990551 MCUDEYSDUPZGRN-VXGBXAGGSA-N 246.310 2.330 0 40 BEAB c1cc(OC[C@H]2CCOC2)cc(-n2ccnc2)c1 78990684 VCNARCVJXBFPKL-LBPRGKRZSA-N 244.294 2.288 0 40 BEAB CN(C(=O)CN)c1ccc(-c2ccccc2)cc1 82613550 CQPWSNARIKQZGP-UHFFFAOYSA-N 240.306 2.275 0 40 BEAB CC(C)(C)OC(=O)c1ccc(Cl)nn1 82643224 MHTGBUQUDMBSRI-UHFFFAOYSA-N 214.652 2.085 0 40 BEAB CC[C@@H](O)CN(C)[C@@H](C)Cc1ccsc1 83817218 OAMGONZWMWTWEM-CMPLNLGQSA-N 227.373 2.382 0 40 BEAB Cc1ccc2c(c1)NC[C@H](CCC(=O)O)C2 84780496 XKIRXMIOZMWXOL-SNVBAGLBSA-N 219.284 2.444 0 40 BEAB O=C(c1ccon1)N1CCC2(CCCCC2)C1 89885160 OJQZDFTWYRHZMR-UHFFFAOYSA-N 234.299 2.471 0 40 BEAB Cn1cccc1[C@@H](O)c1cc(F)cc(F)c1 95727731 RXUMHROKUIBNHP-LBPRGKRZSA-N 223.222 2.385 0 40 BEAB Cc1cccc(C)c1C(=O)N[C@@H](C)c1ncon1 95994429 JONQGUYAKLLOFZ-JTQLQIEISA-N 245.282 2.177 0 40 BEAB Cc1cc(CNC(=O)c2cnoc2C)c(C)o1 96025952 NMJWBUGLJULWHZ-UHFFFAOYSA-N 234.255 2.123 0 40 BEAB COCCC(=O)N[C@H](C)[C@H](C)c1ccccc1 96446369 GGQNZUHWIVWBSJ-NWDGAFQWSA-N 235.327 2.331 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 96510104 NEHLWIPUDJGCPW-WDEREUQCSA-N 228.288 2.116 0 40 BEAB CC1(C)C[C@@H]1C(=O)NCC(=O)c1cccs1 97022564 ZGJSRDPYXAESAQ-MRVPVSSYSA-N 237.324 2.093 0 40 BEAB O=C1NCCCc2[nH]c3ccc(Cl)cc3c21 98209741 YSPDXNKLMDXYMC-UHFFFAOYSA-N 234.686 2.497 0 40 BEAB in-vitro O=[P@]1(Nc2ccccn2)COc2ccccc21 100213193 OIBTWZDHYIKOCR-QGZVFWFLSA-N 246.206 2.447 0 40 BEAB CCc1nnc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)s1 102817286 BNNFCYMAKQNRFO-XHNCKOQMSA-N 249.339 2.251 0 40 BEAB CS[C@@H]1CCC[C@@H]1N(C)Cc1nnc(C)o1 110642459 SMEPZXDQTLHTLI-VHSXEESVSA-N 241.360 2.094 0 40 BEAB O=C(O)c1nnc(-c2ccc(F)cc2F)s1 144750053 APICZCZVYXTMEQ-UHFFFAOYSA-N 242.206 2.182 0 40 BEAB CCOC(=O)[C@@H](Sc1ncc[nH]1)C(C)C 179861928 IDSNQCFURTWGJH-QMMMGPOBSA-N 228.317 2.090 0 40 BEAB C1CC[C@H](OCCSC[C@H]2CCCO2)OC1 193446233 USOWFRVLATZSBK-NEPJUHHUSA-N 246.372 2.442 0 40 BEAB C[C@@H](NC(=O)Nc1ccncn1)c1cccs1 194087127 LVFHVKOCFQDSMT-MRVPVSSYSA-N 248.311 2.421 0 40 BEAB COC(=O)c1c[nH]c2ccc(Cl)nc12 215085004 XHZWHSBXYRHMLH-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB N[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1 218856814 LRGCLQBNHQXGJI-STQMWFEESA-N 222.307 2.185 0 40 BEAB Cc1cccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 219809051 CLNKIICQKRMIRN-KCQAQPDRSA-N 248.370 2.104 0 40 BEAB COC(=O)c1snnc1-c1ccc(F)cc1 223840203 NOIRHXHHTPDXRR-UHFFFAOYSA-N 238.243 2.131 0 40 BEAB Fc1ccc(Br)c2[nH]cnc12 238617376 RSXAMGRDLDJQRW-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB c1ccc(CN2[C@H]3CCC[C@H]2CNCC3)cc1 238853771 KWSMBQIRGSLKBY-GJZGRUSLSA-N 230.355 2.403 0 40 BEAB in-vitro COc1ccccc1CNc1cnn(CCF)c1 256053649 SGQDHBXCJHXTRQ-UHFFFAOYSA-N 249.289 2.473 0 40 BEAB COC1CCN(c2ccc(C(C)(C)C)nn2)CC1 1888844029 BGJBEEWYSRZDHC-UHFFFAOYSA-N 249.358 2.389 0 40 BEAB CC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2 31740 DCKVVEVMZVRVRK-UHFFFAOYSA-N 249.310 2.468 0 40 BEAB COC(=O)C[C@@H]1C[C@H](C)[C@@H](OC(C)=O)C1(C)C 1627032 IPUCQFXOIXVTGS-PTOFAABTSA-N 242.315 2.163 0 40 BEAB CCOC(=O)[C@@H]1C[C@@H]1OCc1ccccc1 1681277 FCQGKIBPYZALNB-NEPJUHHUSA-N 220.268 2.155 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@H](O)C1CCCC1 1746934 WATXZLVPCPBXBW-CHWSQXEVSA-N 234.295 2.406 0 40 BEAB CC1CCN(C[C@H](O)COc2ccccc2)CC1 2624409 NQPBQUNHSUCGLK-AWEZNQCLSA-N 249.354 2.158 0 40 BEAB CN(C)/C=C/C(=O)Oc1ccc(Cl)cc1 3125179 GQDUYLIWFUZASA-BQYQJAHWSA-N 225.675 2.321 0 40 BEAB COc1ccc(NC(=O)C2CCC2)cc1OC 3517661 MVSIXLHZQXZVPG-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB CCOC(=O)/C=C/c1ccc2ccc(=O)[nH]c2c1 3845229 LARCFPVZEJVPAY-XBXARRHUSA-N 243.262 2.104 0 40 BEAB Cc1cc(O)cc(C)c1C[C@H](C)C(=O)O 4202639 LPPITBJXYYCDEQ-VIFPVBQESA-N 208.257 2.272 0 40 BEAB Cc1cc(=O)[nH]c2c1c(O)nn2C1CCCCC1 5687157 PMELVCRPKKQULZ-UHFFFAOYSA-N 247.298 2.244 0 40 BEAB CCOc1ccc2c(c1)cc(C(=O)OC)n2C 6870565 WITMPGOYPYOERA-UHFFFAOYSA-N 233.267 2.364 0 40 BEAB C[C@@H](CC(=O)Nc1ccc(F)cc1)n1cncn1 7616322 IQUABQRSEXBJMH-VIFPVBQESA-N 248.261 2.007 0 40 BEAB CCOC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 13329171 IJTKJSIFZMWKKS-QMMMGPOBSA-N 237.255 2.222 0 40 BEAB CCc1ccc(O[C@@H]2CCCNC2)cc1 14631773 ZGTUBYNKHIHLET-CYBMUJFWSA-N 205.301 2.380 0 40 BEAB CCc1nc(C)cn1C(=O)c1ccccc1 16162528 VJBRQLVDJNLBLS-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB O=C(O)c1[nH]cc2c1[nH]c1ccccc12 22010396 GYWISYYVOBJKRC-UHFFFAOYSA-N 200.197 2.347 0 40 BEAB NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 35579562 LTGZXHICGSIMHN-UHFFFAOYSA-N 243.188 2.214 0 40 BEAB COC[C@@H](C)Nc1ncnc2ccsc12 37375088 HQWNKGUTBLKZTM-SSDOTTSWSA-N 223.301 2.138 0 40 BEAB CC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 37695104 MQZMQRPCNLHVND-ZIAGYGMSSA-N 249.310 2.327 0 40 BEAB CC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 38975411 XZEUHVUMUCKBEV-UHFFFAOYSA-N 220.272 2.269 0 40 BEAB CC(C)(C)c1ccc(-c2n[nH]c(=O)[nH]2)cc1 39209937 PEXVPDLJYMKOFY-UHFFFAOYSA-N 217.272 2.063 0 40 BEAB COc1ccc(C)cc1Cn1ccnc1 40477627 NPWPORQHHIFGHA-UHFFFAOYSA-N 202.257 2.248 0 40 BEAB COCCCNC(=O)N[C@@H](C)c1ccccc1 40477783 HEBFVIVZPRFRAE-NSHDSACASA-N 236.315 2.083 0 40 BEAB O[C@@H](CNc1ncccn1)c1cccc(Cl)c1 40520241 LKSDAWYDKJKAMX-NSHDSACASA-N 249.701 2.276 0 40 BEAB CCOC(=O)c1ccc(Cl)c(OC)c1N 42391849 APAHDZXAQRCRLS-UHFFFAOYSA-N 229.663 2.108 0 40 BEAB Cc1cc(NC(=O)[C@@H]2C[C@H]2C)ccc1C(=O)O 44749788 XDNSSUFHGGPISC-LDYMZIIASA-N 233.267 2.288 0 40 BEAB CCC[C@](C)(NC(=O)[C@@H](C)C(C)C)C(=O)O 69684955 XWRXDKMAQUKABW-CABZTGNLSA-N 229.320 2.038 0 40 BEAB CCOc1ccccc1OCc1nc(C)no1 69811431 SCDSMOHLFFTMQK-UHFFFAOYSA-N 234.255 2.356 0 40 BEAB Clc1ccc2c(c1)N[C@H]1CCNC[C@H]21 71484565 WYZHKRBFEWYMLL-ZJUUUORDSA-N 208.692 2.211 0 40 BEAB CNc1nccc(C)c1Br 95097386 VXWQZYNFNBFEGG-UHFFFAOYSA-N 201.067 2.194 0 40 BEAB CCC[C@@](C)(O)C(=O)Nc1cccc(C)c1O 95443695 IVCZCKHHZBRMQF-CYBMUJFWSA-N 237.299 2.190 0 40 BEAB COC(=O)C1(NCc2ccc(C)cc2C)CC1 95943543 HUMSSAXDRFIDRW-UHFFFAOYSA-N 233.311 2.099 0 40 BEAB CCc1ncnc(SC2CCOCC2)c1F 95981624 NFTBLRGYJNJAHA-UHFFFAOYSA-N 242.319 2.449 0 40 BEAB CC(C)N(C)C(=O)c1cc(-c2cccnc2)on1 97366800 KFWUIQCFNGOKJO-UHFFFAOYSA-N 245.282 2.217 0 40 BEAB C[C@@H](CCc1cccc(F)c1)N(C)CCO 97370738 YZLWAIYZKIHPDB-NSHDSACASA-N 225.307 2.071 0 40 BEAB COCCC1(CN)CCC(F)(F)CC1 98213570 AFRBAUMDNLFPKW-UHFFFAOYSA-N 207.264 2.177 0 40 BEAB NCc1nccc2cc(Br)ccc12 211652968 USVSVHLWKWLLDQ-UHFFFAOYSA-N 237.100 2.456 0 40 BEAB Cc1cc(-c2cccc(C(=O)O)c2)no1 215637389 JTARPHOZMWERKA-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro CCOC(=N)c1ccc(Br)nc1 228917935 MCKWBIJOSHPERV-UHFFFAOYSA-N 229.077 2.206 0 40 BEAB OCc1ccc2c(c1)N[C@@H](C(F)(F)F)C2 238691347 NOCFLWJIOOJVBA-SECBINFHSA-N 217.190 2.078 0 40 BEAB C[C@H](N[C@H]1CCC[C@H]1N)c1ccccc1 242688179 VJNYIIHZUKMQSU-UHTWSYAYSA-N 204.317 2.217 0 40 BEAB Cc1nn(CCF)cc1NCc1cccc(O)c1 256049917 BYTONPLQSRIWQL-UHFFFAOYSA-N 249.289 2.479 0 40 BEAB Cc1cc(C)c(-n2cc([C@@H](C)O)nn2)c(C)c1 1565520763 NMKODILKISOGRF-LLVKDONJSA-N 231.299 2.246 0 40 BEAB CC(=O)N[C@@H](c1ccc(F)cc1)c1cccnc1 378004 HBKGGRWYRVVBDZ-AWEZNQCLSA-N 244.269 2.446 0 40 BEAB O=C1CCCc2nc(-c3ccc(O)cc3)ncc21 1406345 MWHXZGXZDHNUIK-UHFFFAOYSA-N 240.262 2.368 0 40 BEAB Nc1ccc(NC(=O)c2ccccc2)c(O)c1 1596948 XBSZSDGIVSNDOF-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB O=C(O)/C=C/c1cc2c(cc1Cl)OCO2 2504988 PKQYPKPQGNVBCA-OWOJBTEDSA-N 226.615 2.167 0 40 BEAB CC(C)[C@H]1N=C(c2ccccc2)OC1=O 3182175 KSSKJTXJMKNHPG-SNVBAGLBSA-N 203.241 2.015 0 40 BEAB in-vitro CCCCCC[C@H](C(C)=O)C(=O)OC 6655820 HBVHDPSYAJZFEF-SNVBAGLBSA-N 200.278 2.335 0 40 BEAB in-vitro CCCCNC(=S)Nc1cccc(C)n1 7143333 YUFMPABYADFYAH-UHFFFAOYSA-N 223.345 2.477 0 40 BEAB N[C@H](c1ccc(F)cc1)c1cccnc1 8699682 PZMFBSOVJATATC-GFCCVEGCSA-N 202.232 2.269 0 40 BEAB in-vitro Cc1nn(-c2cccc(F)c2)c(C(=O)O)c1C 8887724 WNJYPGNXSMVHRD-UHFFFAOYSA-N 234.230 2.326 0 40 BEAB Cc1nn(C)cc1C(=O)N[C@H](C)c1ccccc1 12015615 KRBJTFWUUDJQLP-SNVBAGLBSA-N 243.310 2.220 0 40 BEAB CCN(CC)CCCNCc1ccc(C)o1 19942839 LGZDCSIEZDTGMC-UHFFFAOYSA-N 224.348 2.410 0 40 BEAB CC[C@@H](C)NC(=O)c1ccc(Cl)cc1N 20156117 SQAQTTFKAZTWQQ-SSDOTTSWSA-N 226.707 2.451 0 40 BEAB Clc1cc(Cl)c2c(c1)CNCCO2 20217250 QVOLJSQLSATVDQ-UHFFFAOYSA-N 218.083 2.475 0 40 BEAB COc1cccc(C(=O)NCCc2ccco2)c1 21475214 BJDGONXBMICJQT-UHFFFAOYSA-N 245.278 2.261 0 40 BEAB Cc1ccc(C)c2sc(N3CCNCC3)nc12 26422395 NIIJCHBCZKUNLL-UHFFFAOYSA-N 247.367 2.323 0 40 BEAB C[C@H]1CCCN(C(=O)CCc2cccnc2)C1 32747706 PHWRIRSFUDHUIO-LBPRGKRZSA-N 232.327 2.273 0 40 BEAB C=CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 37012519 KXXKPDSGQYBHOZ-JGVFFNPUSA-N 221.222 2.410 0 40 BEAB C[C@@]1(C(=O)O)CCCCN1C(=O)c1ccccc1 39135754 OFNWTLAASXRJGP-AWEZNQCLSA-N 247.294 2.156 0 40 BEAB CC(C)(N)CCNC(=O)OCc1ccccc1 39952294 MENRFDHNUIYLTD-UHFFFAOYSA-N 236.315 2.040 0 40 BEAB in-vitro Cc1ncsc1C(=O)N1CCCCCC1 40529101 HNCOTHJLYDVRKX-UHFFFAOYSA-N 224.329 2.468 0 40 BEAB COCCN(C)[C@@H]1CCc2ccccc21 42635278 OKEFUCSXQUGFHV-CYBMUJFWSA-N 205.301 2.252 0 40 BEAB CCOC(=O)c1cnccc1C(F)(F)F 47202984 XVZBDRPKHUIVGB-UHFFFAOYSA-N 219.162 2.277 0 40 BEAB CC[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219030 LPQFBRZVCFPQSV-NXEZZACHSA-N 215.337 2.352 0 40 BEAB CCOC(=O)c1ccc(N2CCCCC2=O)cc1 58634653 QFUWJVIKZLYLFV-UHFFFAOYSA-N 247.294 2.380 0 40 BEAB C[C@@H]1CC(C)(C)CC2(C1)OC(=O)CC(=O)O2 59488093 HOAMIFUYEAGIJS-MRVPVSSYSA-N 226.272 2.019 0 40 BEAB c1cncc(CN2CCC([C@H]3CCCN3)CC2)c1 63197793 SJMBBIZZQRMMKC-OAHLLOKOSA-N 245.370 2.046 0 40 BEAB CCN(C(=O)c1cc(-c2ccco2)[nH]n1)C1CC1 65539444 ZNKKHRATVSHGDG-UHFFFAOYSA-N 245.282 2.294 0 40 BEAB C[C@H](O)[C@@H]1CCCCN1Cc1ccccc1 69563248 GABUHJHKJGAPEA-JSGCOSHPSA-N 219.328 2.422 0 40 BEAB c1cc(N2CCCC2)ncc1[C@@H]1CCCCN1 72215934 ORWCCQFFUXXYOC-ZDUSSCGKSA-N 231.343 2.496 0 40 BEAB Cc1nc(N)ccc1[C@H](N)c1ccccc1 72224132 QMSJRVYJNRXZSU-CYBMUJFWSA-N 213.284 2.020 0 40 BEAB CCN1CCC(c2cc(NC)nc(C)n2)CC1 72361104 KASBQEGRBKDYJB-UHFFFAOYSA-N 234.347 2.026 0 40 BEAB O=C(CC1CCSCC1)N1CCCC1 82300665 HVUATURPFUBONE-UHFFFAOYSA-N 213.346 2.142 0 40 BEAB Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]3C2)n1 89599442 NOMODSJDPNITDZ-RYUDHWBXSA-N 217.316 2.330 0 40 BEAB Cc1ccc(F)c(CNc2ccn(C)n2)c1 89616577 SGNCWDLVXUDPAK-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB Ic1cccc2ocnc12 94986244 HRFYHJWDGKHONP-UHFFFAOYSA-N 245.019 2.432 0 40 BEAB CCn1cnc2cncc(Br)c21 96311286 IJYDLJTXNMVGMJ-UHFFFAOYSA-N 226.077 2.214 0 40 BEAB CCC[C@H](NCCO)c1ccc(F)cc1F 96492305 ADFYCVSTNQRYAD-LBPRGKRZSA-N 229.270 2.388 0 40 BEAB C[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 97235820 RXOBDRVVAUZKKE-QWRGUYRKSA-N 249.358 2.488 0 40 BEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccccc1 100525901 RVTANKMKMMBUOZ-TXEJJXNPSA-N 229.279 2.366 0 40 BEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCC1 101674377 RDILLAQQPURFJL-YUSALJHKSA-N 207.317 2.481 0 40 BEAB CS[C@@H]1CCC[C@H]1N(C)Cc1nnc(C)o1 110642463 SMEPZXDQTLHTLI-NXEZZACHSA-N 241.360 2.094 0 40 BEAB Cc1ccc(-n2cnc3ccccc32)nn1 124555568 MNJVQCHDFJUGGM-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB C[C@](O)(C(=O)OCc1ccccc1)C(F)(F)F 135810863 ZIXXABZSYXRCJO-JTQLQIEISA-N 248.200 2.043 0 40 BEAB OC1(Cc2cc(F)ccc2Cl)CCNCC1 165975828 YTEDPPDEJQGRKN-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB C[C@@H](NCCC(C)(C)C)[C@@H](C)N1CCOCC1 187879923 GUVFXDHNVQQVDS-CHWSQXEVSA-N 242.407 2.121 0 40 BEAB CCOC(=O)[C@H]1CNc2ccc(C)cc2C1 202543528 DBMVQUYPRJIPLJ-LLVKDONJSA-N 219.284 2.142 0 40 BEAB Cc1ccc(CN2CCN[C@@H]3CCC[C@@H]32)cc1 225715557 SEBNHSQPYQEASB-CABCVRRESA-N 230.355 2.321 0 40 BEAB CNc1nc([C@@H]2CCCCN2)c2sccn12 257290574 QDLUJRWFGSJEDH-QMMMGPOBSA-N 236.344 2.252 0 40 BEAB Fc1cnc(N2CCC(C(F)(F)F)CC2)nc1 269490168 NSLIZRSISHPSLF-UHFFFAOYSA-N 249.211 2.394 0 40 BEAB O=Cc1ccc(F)c(O)c1Br 306708610 SYXDHCXABGJPGS-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB Cc1ccc(OC2Cc3ccccc3C2)nn1 585651963 SWRMSYUERYTYFP-UHFFFAOYSA-N 226.279 2.331 0 40 BEAB Cn1nnc2c(Cl)cc(Br)cc21 725343320 FGRQJSQBLMCFMN-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CCC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F 1083809125 JHUVIPLIFKSQGW-RXMQYKEDSA-N 238.127 2.475 0 40 BEAB C[C]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 1560405425 WYKGHPJQGSTEHG-QMMMGPOBSA-N 228.268 2.022 0 40 BEAB Cc1[nH]c2ccccc2c1C(=O)CN(C)C 314054 HTPWNCFSBKSYEQ-UHFFFAOYSA-N 216.284 2.221 0 40 BEAB biogenic CCN(CC)CCOC(=O)c1ccc(C)cc1 1641597 LDZVENZNKUFGHJ-UHFFFAOYSA-N 235.327 2.494 0 40 BEAB CCCC[n+]1cc(C(N)=O)cc2ccccc21 1717211 IKXPKSFETQCJOR-UHFFFAOYSA-O 229.303 2.026 0 40 BEAB C[C@H](C(=O)O)n1cc(Cl)c(C2CC2)n1 2538718 MYKJRLCUEXNZHW-RXMQYKEDSA-N 214.652 2.060 0 40 BEAB CCCCNC(=O)C(=O)c1c[nH]c2ccccc12 3635496 XTLXOIBNXHXNBR-UHFFFAOYSA-N 244.294 2.267 0 40 BEAB in-vivo CC(=O)c1cccc(NC(=O)c2cc(C)n[nH]2)c1 5941289 QELLXXWSBRKRMY-UHFFFAOYSA-N 243.266 2.173 0 40 BEAB O=C(Nc1ccc(Cl)cc1)n1cncn1 16428527 PLNDCZOLQNYPBG-UHFFFAOYSA-N 222.635 2.012 0 40 BEAB CCCc1ccc(-c2cc(N)n(CCO)n2)cc1 20284702 APLCAUAGRCHQRP-UHFFFAOYSA-N 245.326 2.077 0 40 BEAB CCc1nn(C)c(N)c1-c1cccc(OC)c1 26511744 BQKZYXMLIMSTLK-UHFFFAOYSA-N 231.299 2.240 0 40 BEAB CCCCC(=O)N(C)Cc1ccnn1CC 28219327 CUUVLKQUCFLDGB-UHFFFAOYSA-N 223.320 2.052 0 40 BEAB CC(C)[C@](O)(CC(=O)O)c1ccc(F)cc1 32015151 RXAUWKKLCQIFCU-GFCCVEGCSA-N 226.247 2.144 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(OC)c(F)c1 32736082 AXJARJJOWAEKRD-QMMMGPOBSA-N 225.263 2.363 0 40 BEAB COc1cccc2c1C[C@@H]1CC(=O)OC1=C2 34569341 SCCPTQJNADCRRE-SECBINFHSA-N 216.236 2.155 0 40 BEAB Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 40162990 CGEIKMTZUHUAQP-UHFFFAOYSA-N 241.298 2.044 0 40 BEAB COc1ccc(C(=O)c2cccc(OC)n2)cc1 45028715 KIAQSIHZBMCQPF-UHFFFAOYSA-N 243.262 2.330 0 40 BEAB Cc1cccc(N(C)CCCC(=O)O)c1 49987527 CJPSSZGIQRBSKY-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB CCn1cc(-c2ccccc2)c2nc[nH]c(=O)c21 57519851 FXXAKFPJCHCKEI-UHFFFAOYSA-N 239.278 2.412 0 40 BEAB O=C(O)COc1ccccc1CNC1CCCC1 62716823 CLVJOUCEZGRYCZ-UHFFFAOYSA-N 249.310 2.182 0 40 BEAB c1ccc(C[C@H]2COC3(CCNCC3)C2)cc1 63110792 FWMGBFZKJKFKCR-CQSZACIVSA-N 231.339 2.388 0 40 BEAB COC(=O)c1cnc(-c2ccccc2)o1 64033492 XMACXVQAYRWMKB-UHFFFAOYSA-N 203.197 2.128 0 40 BEAB CC(C)c1ccccc1NC(=O)NCCCO 65625870 FMRZOWOIDPMLMR-UHFFFAOYSA-N 236.315 2.314 0 40 BEAB CCCCCC[C@H](C)NC(=O)NOC 71802049 JECKRYPSFMOPQR-VIFPVBQESA-N 202.298 2.206 0 40 BEAB CC(C)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 72203598 FGWZXFPNZRIDFK-NSHDSACASA-N 242.363 2.241 0 40 BEAB O=Cc1cc(Br)c(O)cc1F 82367877 JBKKWLZDKTVERG-UHFFFAOYSA-N 219.009 2.106 0 40 BEAB NC1(c2ccc(Cl)cc2Cl)COC1 84398351 IWDPYUDUBIQKLR-UHFFFAOYSA-N 218.083 2.178 0 40 BEAB CN1CCN(C(=O)C2CC2)c2ccc(F)cc21 89382855 WEZKKNMMRMMEAJ-UHFFFAOYSA-N 234.274 2.019 0 40 BEAB CC(C)(C(=O)O)c1ccc2c(c1)OC(F)(F)O2 95644309 WZCPWVKATCBELE-UHFFFAOYSA-N 244.193 2.370 0 40 BEAB CCOC(=O)[C@@H]1COc2ccc(Cl)cc2C1 95743783 JVNIZDSHIPLLAH-VIFPVBQESA-N 240.686 2.454 0 40 BEAB CC[C@@H](O)CN[C@@H](C)c1cc(C)ccc1OC 96490816 LRLAEVJOQRHNKF-NWDGAFQWSA-N 237.343 2.425 0 40 BEAB CCCCOc1ccc(CN2CC[C@H](N)C2)cc1 96523471 SWRQGQGIWAEEFM-AWEZNQCLSA-N 248.370 2.399 0 40 BEAB CNc1ccc(Nc2cc(C)nc(C)n2)cn1 131595971 YDAPRVATNWVMRP-UHFFFAOYSA-N 229.287 2.274 0 40 BEAB COC(=O)C(=O)c1ccc(C(F)(F)F)cc1 146743257 ODFJJXLMLXDIMF-UHFFFAOYSA-N 232.157 2.061 0 40 BEAB Cc1cc(CO)c(F)cc1Br 216015987 DIXAGUQFYRVLRS-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB Cc1ccc(N2CCN[C@H]3CCC[C@H]32)c(F)c1 218848854 WCLVXNUMFSIOLP-GXTWGEPZSA-N 234.318 2.465 0 40 BEAB C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](N)[C@H]2[C@@H]1C 242463391 CZVKMVVAGFXBBQ-WHSUVHHGSA-N 237.265 2.326 0 40 BEAB Cc1cc(N)c(N2C[C@H](C)O[C@@H](C)C2)cc1C 256053360 RDKHDMXDMFSZCX-RYUDHWBXSA-N 234.343 2.499 0 40 BEAB C=CC(=O)O[C@@H]1CC[C@H]2[C@H]3C=C[C@H](C3)[C@H]21 263584532 VTUJVKUOIFFTME-VLLVSFFDSA-N 204.269 2.316 0 40 BEAB CC(=O)N1CC[C@@](F)(c2ccccc2F)C1 334242092 WZTXCXJSRWAZBI-LBPRGKRZSA-N 225.238 2.243 0 40 BEAB CCCOCc1nn(CCF)cc1Cl 408715345 KAGLPTQAYDMTFY-UHFFFAOYSA-N 220.675 2.433 0 40 BEAB CC(C)(C(=O)O)n1cc(Cl)c(C(F)F)n1 408715881 GEQSFZOEHWCNGF-UHFFFAOYSA-N 238.621 2.294 0 40 BEAB N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]12 536948746 VFRUKJZCIJIQFD-FKTZTGRPSA-N 224.101 2.046 0 40 BEAB CC(=O)OCC(=O)c1cccc(OC(C)C)c1 575357310 ALSJVDSZZPRRCX-UHFFFAOYSA-N 236.267 2.220 0 40 BEAB CCCOC(=O)OCCOCC(F)(F)F 1083809174 SQBSMEHZKFKDQE-UHFFFAOYSA-N 230.182 2.129 0 40 BEAB O=C(Nc1onc2c1CCCC2)C1CC=CC1 1850316251 VVMNWSQPDLQEBZ-UHFFFAOYSA-N 232.283 2.458 0 40 BEAB O=C1c2ccccc2[C@@H](O)N1Cc1ccccc1 251863 XEFXQIBENKOFCP-CQSZACIVSA-N 239.274 2.334 0 40 BEAB COC(=O)[C@H]1O[C@@]1(C)c1ccc(Cl)cc1 1696003 WOLWRWLLWNBPRS-KOLCDFICSA-N 226.659 2.127 0 40 BEAB CC[C@H](C)[C@@H](NCc1ccccc1)C(=O)O 1726742 GPAVORZIWQTJJQ-CMPLNLGQSA-N 221.300 2.276 0 40 BEAB in-vitro CC(C)CN1C(=S)SC(C)(C)[C@H]1NO 4016071 YGVPGOVHHJSCRA-ZETCQYMHSA-N 234.390 2.060 0 40 BEAB COc1ccc(-c2nc(NN)sc2C)cc1 4293976 QQDCHHRILDEBJW-UHFFFAOYSA-N 235.312 2.413 0 40 BEAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)C[C@H]1O 4697433 LDTHAFXMNUJREZ-YRGRVCCFSA-N 219.328 2.278 0 40 BEAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCO2)c1 6255511 MKUPZMXIFCDHMK-LBPRGKRZSA-N 219.284 2.421 0 40 BEAB Cc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 9188254 XTXRDVBOTGGTRK-LBPRGKRZSA-N 235.352 2.439 0 40 BEAB CC(=O)c1ccccc1NC(=O)C1CC1 12931496 CEIMIHYTNNXCCI-UHFFFAOYSA-N 203.241 2.238 0 40 BEAB NCCc1cc2ccc(Br)cc2[nH]1 20269470 BKDLPOGROBEOJM-UHFFFAOYSA-N 239.116 2.432 0 40 BEAB Cc1ccc(C(=O)CCN2CCOCC2)c(C)c1 20421330 LGKGZQBYEDXJBZ-UHFFFAOYSA-N 247.338 2.208 0 40 BEAB O=C(Nc1cccc(F)c1)C1CCOCC1 25131998 UAVCLBFZPSWCNN-UHFFFAOYSA-N 223.247 2.191 0 40 BEAB Cc1noc([C@H](C)Nc2ccc3c(c2)CCO3)n1 26995358 OCRPAESCQXXXJX-QMMMGPOBSA-N 245.282 2.486 0 40 BEAB Cn1c(C=O)c(SCC(=O)O)c2ccccc21 32919110 ZBXCYUUJNVTEDW-UHFFFAOYSA-N 249.291 2.168 0 40 BEAB OC1CCC(NCc2cc(F)ccc2F)CC1 37228360 ANBJQZYLHKIPRU-UHFFFAOYSA-N 241.281 2.358 0 40 BEAB CCOC(=O)[C@H](N)c1cccc2ccccc12 37514899 JUADKWTZIPWOLO-CYBMUJFWSA-N 229.279 2.403 0 40 BEAB biogenic Cc1nc(CSc2ccc(O)cc2)no1 38078933 QSCGMVHQRHNAGZ-UHFFFAOYSA-N 222.269 2.376 0 40 BEAB Cn1c(CCCO)nc2ccc(Cl)cc21 40417039 HANTVZGVWKSYTJ-UHFFFAOYSA-N 224.691 2.152 0 40 BEAB O=Cc1c[nH]c2cc(C(F)(F)F)cnc12 44713067 AIJADIOUVVNAKY-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB in-vitro COCCNCc1cccn1-c1ccccc1 45205870 OFXCFKYOIGFWRV-UHFFFAOYSA-N 230.311 2.213 0 40 BEAB CC1CCN(c2ncc(C=O)s2)CC1 54861430 CCUKZZNLILKECE-UHFFFAOYSA-N 210.302 2.192 0 40 BEAB CCC(C)(C)NCc1cnc(SC)nc1 62717256 HIWOOEQFYGAGSZ-UHFFFAOYSA-N 225.361 2.477 0 40 BEAB CC(C)CCN1CCC[C@H](Cn2cncn2)C1 69628525 NGYLHCFGRKDGEG-ZDUSSCGKSA-N 236.363 2.036 0 40 BEAB Cc1nc(Cl)cc(NC[C@@H](O)C(C)(C)C)n1 71900437 VLRQHEXDUHHOJM-MRVPVSSYSA-N 243.738 2.257 0 40 BEAB CCN1CCC[C@@H]1c1cnc(O)cc1C 72218131 MOJFHVHYVXQKNE-LLVKDONJSA-N 206.289 2.252 0 40 BEAB Cc1cc(NCc2ccccc2)ncc1CN 72223364 CZVFWZVZYZSVRS-UHFFFAOYSA-N 227.311 2.461 0 40 BEAB N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79437094 FAIYTHASVJZIGQ-STQMWFEESA-N 248.326 2.183 0 40 BEAB N[C@H]1C[C@@H](C(F)(F)F)Cc2occc21 85399134 WTRHZUQGCLVJNE-VDTYLAMSSA-N 205.179 2.404 0 40 BEAB CSCC1(CN(C)CC[C@@H](C)O)CCC1 89895443 KROMUBLTJGQLPJ-LLVKDONJSA-N 231.405 2.222 0 40 BEAB CCc1nsc(N[C@@H]2CCCC[C@H]2CO)n1 92656455 FZLSSYWMGPCOOM-DTWKUNHWSA-N 241.360 2.064 0 40 BEAB C[C@@H](C[C@@H](C)NC1CC1)NC(=O)OC(C)(C)C 95455492 JEAOYLBMACSRHH-ZJUUUORDSA-N 242.363 2.430 0 40 BEAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)C(C)C 95956566 HQYRWSSQIAMWTK-IUCAKERBSA-N 237.347 2.291 0 40 BEAB COc1cc(C)c2[nH]c(CO)c(C)c2c1 96029617 HDEDYRWOJQBDHM-UHFFFAOYSA-N 205.257 2.286 0 40 BEAB Clc1cnc2cc3c(cc2n1)OCO3 96509717 XFOACHBPVYWSNX-UHFFFAOYSA-N 208.604 2.012 0 40 BEAB CN1CC[C@]2(CO2)c2cc(Cl)ccc2C1 96510472 HFRKUBWZPADPJK-LBPRGKRZSA-N 223.703 2.401 0 40 BEAB Cc1cc(NC(=O)N2CCO[C@@H](C)[C@@H]2C)ccn1 97048795 XONISPZCCCJNSX-QWRGUYRKSA-N 249.314 2.031 0 40 BEAB C[C@H](CCn1cccn1)Nc1cccc(O)c1 97104741 DLIWRNKAHZOYMD-LLVKDONJSA-N 231.299 2.479 0 40 BEAB OCc1cccc(C(F)(F)C(F)(F)F)n1 169801982 IQVGOXFUODMNIR-UHFFFAOYSA-N 227.132 2.228 0 40 BEAB CN(C)c1nc([C@H]2CCCCN2)cn2cccc12 205686919 ZRTXHWGHAKZJBU-LLVKDONJSA-N 244.342 2.215 0 40 BEAB O=C(O)[C@H]1C[C@]12CCOc1ccc(Cl)cc12 217037595 MLFMKEHMBCKEPZ-SKDRFNHKSA-N 238.670 2.465 0 40 BEAB CCN(C(=O)OC(C)(C)C)[C@@H]1CNCC[C@H]1C 217677571 WQWRYKRMRBWZLF-GHMZBOCLSA-N 242.363 2.241 0 40 BEAB COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)C1 217911885 URBBDLKAJDBGEP-SECBINFHSA-N 229.279 2.066 0 40 BEAB Cc1ccccc1N1CCN[C@@H]2CCC[C@H]21 218843525 IOMBDNVJKDTDRM-TZMCWYRMSA-N 216.328 2.326 0 40 BEAB CCNCc1c(C)n(C)c2ccc(O)cc12 223761205 CUVKPIVMKDWZQW-UHFFFAOYSA-N 218.300 2.302 0 40 BEAB CC(C)CNc1ccc(C(=O)NC2CC2)cc1N 225407251 SGUBSWKSKOJPPI-UHFFFAOYSA-N 247.342 2.229 0 40 BEAB Fc1cc(F)cc(N2CCN[C@H]3CCC[C@@H]32)c1 225717641 FOHMKEYMQWAYOY-STQMWFEESA-N 238.281 2.296 0 40 BEAB CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 408811312 BHSPTQYVTGNJQD-TWGQIWQCSA-N 237.255 2.492 0 40 BEAB c1nc(O[C@H]2CCSC2)cc(C2CC2)n1 585652713 SWLWWSFSWVMENY-VIFPVBQESA-N 222.313 2.238 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCC[C@@H]2O)C1 606301649 TUWRBBZCLANCBP-JTQLQIEISA-N 241.331 2.158 0 40 BEAB CC(=O)n1c(C)c(C=O)c2ccccc21 1719421 LCFYICYGLAFRRJ-UHFFFAOYSA-N 201.225 2.422 0 40 BEAB CCO[P@@]1(=O)OC(C)(C)C[C@@]1(C)O 2007423 GTQYAZQCUFLOCL-ISVAXAHUSA-N 208.194 2.123 0 40 BEAB CC(C)(C)NCC(=O)Nc1ccc(F)cc1 2643717 QBBJWQMCMTTYFH-UHFFFAOYSA-N 224.279 2.152 0 40 BEAB COc1cc(OC)cc(C(=O)N2CCCCC2)c1 3093892 LEMXDLQLWUZGTQ-UHFFFAOYSA-N 249.310 2.330 0 40 BEAB C/C=C\C(=O)OCC[C@@H](C)OC(=O)/C=C\C 4933478 ZTVGGPBXWHCVLE-PKRGSGFMSA-N 226.272 2.004 0 40 BEAB O=C1C[C@H](c2ccccc2)[n+]2ccccc21 5489796 UWJFHXCPAWJRIZ-CYBMUJFWSA-N 210.256 2.150 0 40 BEAB CS(=O)(=O)/C=C/c1ccc(Cl)cc1 6019427 KGARFKLLCJQQEZ-VOTSOKGWSA-N 216.689 2.355 0 40 BEAB CCC(=O)N[C@@H](C)c1cc(OC)ccc1OC 6263692 FCYSWMIJCRNHIE-VIFPVBQESA-N 237.299 2.291 0 40 BEAB CCC[C@@H]1O[P@@](N)(=O)OC[C@H]1CC 8581108 SQVIKHLRXOQWRH-UJVNDKKSSA-N 207.210 2.295 0 40 BEAB CCOCCCOc1cccc(C(=O)O)c1 8731431 HCGYZOHFOBGMBO-UHFFFAOYSA-N 224.256 2.190 0 40 BEAB CCCCOC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 12420171 RUFPVBGMFJWXNM-MGPQQGTHSA-N 243.391 2.142 0 40 BEAB CN(c1ncnc2c1cnn2C)C1CCCCC1 12484787 UYXFZGNMYVOMIM-UHFFFAOYSA-N 245.330 2.132 0 40 BEAB CN(Cc1ccccc1F)C(=O)c1cccn1C 13493575 BDICMOPHYLCJBP-UHFFFAOYSA-N 246.285 2.436 0 40 BEAB CCOC(=O)[C@](F)(Cl)C(F)(F)F 14611422 VWBGBOFQVNQGIT-SCSAIBSYSA-N 208.538 2.016 0 40 BEAB Cc1ccc(N)c(OCCN2CCCCC2)c1 14629710 XHUKOJBMLBCSLY-UHFFFAOYSA-N 234.343 2.442 0 40 BEAB CC(C)Cc1nc(C(=O)O)c2ccccn12 20222658 OMEJGCSLTGJRBA-UHFFFAOYSA-N 218.256 2.231 0 40 BEAB N=C1NCc2c(ccc(Cl)c2Cl)N1 29130869 VBKOTIVQMCTTAQ-UHFFFAOYSA-N 216.071 2.443 0 40 BEAB world CCOCC(=O)N1CCC[C@H]2CCCC[C@H]21 32819548 FPCXYDXSFSIYAL-VXGBXAGGSA-N 225.332 2.204 0 40 BEAB Cc1ccc(NC(N)=S)cc1Br 33508080 NUIHBRCQJWJUFP-UHFFFAOYSA-N 245.145 2.413 0 40 BEAB O=C(O)c1ccc(NC(=S)S)cc1 33786778 SCPGEGNOAJWZEC-UHFFFAOYSA-N 213.283 2.011 0 40 BEAB CCN(CC)Cc1ccccc1C(=O)O 34925313 UVPCIEMOLVZPCV-UHFFFAOYSA-N 207.273 2.227 0 40 BEAB Cc1ccc2nc(O)n3nc(C4CC4)nc3c2c1 36378538 DHXMWASJGSWNRP-UHFFFAOYSA-N 240.266 2.169 0 40 BEAB Cc1n[nH]c(-c2ccc(Br)o2)n1 36960811 ARJDPBDEXDTMAV-UHFFFAOYSA-N 228.049 2.136 0 40 BEAB CN(Cc1ccccc1)C(=O)[C@@H](N)C(C)(C)C 40458233 FZJOYZVWYQVWSP-GFCCVEGCSA-N 234.343 2.018 0 40 BEAB Cc1cccc(CN2CCO[C@H](C)C2)c1 40479465 XCQHTVWIUSXZOL-GFCCVEGCSA-N 205.301 2.216 0 40 BEAB C[C@@H](NC(=O)Nc1nccs1)c1ccncc1 40490194 HTAWRRDCFALKBG-MRVPVSSYSA-N 248.311 2.421 0 40 BEAB Cc1noc([C@@H](C)N2CCc3ccccc3C2)n1 42651693 TUFZBPOGGCBNHK-SNVBAGLBSA-N 243.310 2.497 0 40 BEAB CONC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 53720889 UXQZWUSTBKOIGL-WCBMZHEXSA-N 223.272 2.013 0 40 BEAB COc1cc(Cl)c(/C=C/C(=O)O)cc1OC 66148486 ZYYCNPSXIYLPFZ-ONEGZZNKSA-N 242.658 2.455 0 40 BEAB NC1CCN(Cc2cc(Cl)ccc2F)CC1 67801030 ILSMKUUIKFBRFY-UHFFFAOYSA-N 242.725 2.402 0 40 BEAB C[C@H]1C[C@H]1COC(=O)c1ccnc(F)c1 71803627 OQXFFLQCCBMQSL-CBAPKCEASA-N 209.220 2.034 0 40 BEAB Cc1nc(N2CCCCC2)ccc1C(=O)O 72224539 LMFJRIJRSYYDEC-UHFFFAOYSA-N 220.272 2.079 0 40 BEAB c1cnc2c(C[C@@H]3CNCCOC3)cccc2c1 72344403 HAFXZIZXIDYPHU-GFCCVEGCSA-N 242.322 2.013 0 40 BEAB c1cc([C@H]2CCCN(Cc3ncc[nH]3)C2)ccn1 72357396 NHXMHEGDVCVISO-ZDUSSCGKSA-N 242.326 2.184 0 40 BEAB CC(C)NC(=O)NCCn1ccc2ccccc21 74904512 DWOCGOQIPRLAQI-UHFFFAOYSA-N 245.326 2.349 0 40 BEAB CN(C)C(=O)[C@H]1SCCc2sccc21 79452003 GEKJSMFDYYDMCL-VIFPVBQESA-N 227.354 2.167 0 40 BEAB CO[C@@]1(C)C[C@H](NC(=O)c2cccnc2)C1(C)C 84668205 QSQZVXJSUUJAJQ-FZMZJTMJSA-N 248.326 2.015 0 40 BEAB c1ccc2c(c1)C[C@@H](CN1CCSCC1)N2 87655851 YMZYTNWAJQQRRN-LBPRGKRZSA-N 234.368 2.072 0 40 BEAB OC[C@H]1C=C[C@@H](NCc2cccc(Cl)c2)C1 89774631 QIWKSADRBIISFH-WCQYABFASA-N 237.730 2.367 0 40 BEAB CC1(C)C[C@@H](NC(=O)c2cccnc2)C(C)(C)O1 97047100 MATNPKHPIFCMTH-LLVKDONJSA-N 248.326 2.158 0 40 BEAB Cc1cccc(N2CCC[C@H](c3cn[nH]c3)C2)n1 97163280 LVFVFDCFUHAWRX-LBPRGKRZSA-N 242.326 2.497 0 40 BEAB Cc1cccc(N2CCC[C@@H](c3cn[nH]c3)C2)n1 97163281 LVFVFDCFUHAWRX-GFCCVEGCSA-N 242.326 2.497 0 40 BEAB CC(C)OCCCN1CCN[C@@H]2CCCC[C@H]21 218831123 SVOFHSOHNPEOPL-ZIAGYGMSSA-N 240.391 2.018 0 40 BEAB CCC(F)(CC)CN1CCC(CO)CC1 238201600 BWIKDAIOVWPUQX-UHFFFAOYSA-N 217.328 2.219 0 40 BEAB CN1[C@H]2CC[C@@H](C[C@@H]3CCCNC3)[C@H]1CC2 242648919 RKQLJGHQRKPBDW-XDQVBPFNSA-N 222.376 2.249 0 40 BEAB CCC(=O)n1nnc2cc(C)c(C)cc21 256052890 PBOXIRSTXWPPFC-UHFFFAOYSA-N 203.245 2.098 0 40 BEAB CC(=O)CCOCC(F)(F)C(F)(F)F 308301736 RKDYSUAYMSZNBJ-UHFFFAOYSA-N 220.137 2.180 0 40 BEAB COc1ccc(-c2nc(CO)c(C)o2)cc1 309369176 QRFHOFCABHCUNT-UHFFFAOYSA-N 219.240 2.151 0 40 BEAB CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc(C)cs1 331036078 NANNIWCFNZHGGS-VXNVDRBHSA-N 242.344 2.451 0 40 BEAB Fc1ccc2c(c1)OC1(CCNCC1)CCN2 521396050 NTRZLYPCQFIQPX-UHFFFAOYSA-N 236.290 2.142 0 40 BEAB CCOc1nc2c(F)cccc2cc1C(=O)O 685937296 MSRDNUHJSUCUJB-UHFFFAOYSA-N 235.214 2.471 0 40 BEAB CC(C)CCNS(=O)(=O)c1ccc(F)cc1 30394 DOXFVAVQKQIGKN-UHFFFAOYSA-N 245.319 2.150 0 40 BEAB O=C(O[C@@H]1CN2CCC1CC2)c1cccc(F)c1 187968 HLGYICYUDIYGIY-CYBMUJFWSA-N 249.285 2.077 0 40 BEAB COc1ccc(OC)c(NC(=O)C(C)C)c1 341709 BSBQTFPDFZGILM-UHFFFAOYSA-N 223.272 2.298 0 40 BEAB C[C@@H]1C[C@@H](OC(=O)CCN2CC2)CC(C)(C)C1 1614821 FIZYQWPPYSBTPE-VXGBXAGGSA-N 239.359 2.450 0 40 BEAB O=C(O)c1ccc([C@@H](O)c2ccccc2)cc1 1670917 NXWZDRGHHRXEGE-ZDUSSCGKSA-N 228.247 2.467 0 40 BEAB COC(=O)c1cc(C(C)=O)nc2ccccc12 1720870 KVRSKGPQHMTBEA-UHFFFAOYSA-N 229.235 2.224 0 40 BEAB CC(=O)N1C[C@]23C=C[C@H](C[C@@H]2CC12CCCC2)O3 3902938 QLOISECRUXBCQN-UMVBOHGHSA-N 247.338 2.265 0 40 BEAB COc1ccccc1[C@H]1CCCN1CCC(=O)O 12398684 CGNFZRZOWHPQRO-GFCCVEGCSA-N 249.310 2.307 0 40 BEAB CC1CCN(C(=O)CNc2ccccc2)CC1 12536875 LNVCBOXSYWBGHA-UHFFFAOYSA-N 232.327 2.357 0 40 BEAB Cc1c(C(=O)N(C)C)cnn1-c1ccccc1F 12931827 JYNHFIRUQFEUNJ-UHFFFAOYSA-N 247.273 2.022 0 40 BEAB O=C1C[C@H](c2ccc(F)cc2F)c2cn[nH]c2N1 15083341 YYRKUIUQAYBENO-MRVPVSSYSA-N 249.220 2.162 0 40 BEAB O=C(Nc1nncs1)c1ccc(F)cc1F 16385283 QVOTYORZTLZMLL-UHFFFAOYSA-N 241.222 2.069 0 40 BEAB CC(=O)c1ccccc1NC(=O)[C@@H]1CCCO1 19510439 KGRCJBGGFKEGSU-LBPRGKRZSA-N 233.267 2.007 0 40 BEAB CC[C@H](CN)c1ccc(OC)c(OC)c1 19726108 NQGJJYCJKYLBSM-SECBINFHSA-N 209.289 2.156 0 40 BEAB COC(=O)CN[C@@H](C)c1cc(C)sc1C 20086461 DRNNCTWUXGVOFA-QMMMGPOBSA-N 227.329 2.189 0 40 BEAB CC(C)(C)OC(=O)Cc1ccccc1N 20155666 PTYKJKMISAEJIZ-UHFFFAOYSA-N 207.273 2.153 0 40 BEAB in-vitro Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 20182805 VXJXBJPYUWFWAJ-UHFFFAOYSA-N 242.278 2.060 0 40 BEAB CC1(C)NC(=O)N(C/C=C/c2ccccc2)C1=O 34801153 GEHPJRAPYINDFX-RMKNXTFCSA-N 244.294 2.030 0 40 BEAB COC(=O)[C@@H](C)CNC1CCCCCC1 35133591 BOGWZQMKEBIJOE-JTQLQIEISA-N 213.321 2.108 0 40 BEAB N[C@@H]1COc2c1ccc(Cl)c2Cl 35652962 URMAYQIYUBDETJ-ZCFIWIBFSA-N 204.056 2.386 0 40 BEAB in-vitro C/C(=C(/Br)C(=O)O)C(F)(F)F 36533651 QOSBCILIDDOEPN-IHWYPQMZSA-N 232.983 2.302 0 40 BEAB CC[C@@H](N)c1nc(-c2ccccc2)c[nH]1 36872535 VNMNNUSKIAXVAQ-SNVBAGLBSA-N 201.273 2.487 0 40 BEAB in-vitro CCC(=O)Nc1ccc(N)cc1Br 37408911 ZRKBWDFIGTYOQN-UHFFFAOYSA-N 243.104 2.380 0 40 BEAB COc1cccc(CCNC(=O)c2ccoc2)c1 48299780 VQBQSAGOVUTYLG-UHFFFAOYSA-N 245.278 2.261 0 40 BEAB CNC(=O)NCc1ccc(C(F)(F)F)cc1 48487578 VUXIVGATQZQWHZ-UHFFFAOYSA-N 232.205 2.134 0 40 BEAB CCCN(CCC)C(=O)C1CCOCC1 58312363 PMDRYRUDICEANL-UHFFFAOYSA-N 213.321 2.062 0 40 BEAB C[C@H]1CCCN(C(=O)CNc2ccccc2)C1 58372477 CDNKWXRZVRYOHU-LBPRGKRZSA-N 232.327 2.357 0 40 BEAB CCc1ccc2oc(C(=O)NCCO)c(C)c2c1 62714972 VTANXFFPHQPFHD-UHFFFAOYSA-N 247.294 2.026 0 40 BEAB CC[C@H](C)NCc1cnc(NC(C)C)nc1 62717620 JBYQRZHVUZENDP-JTQLQIEISA-N 222.336 2.185 0 40 BEAB Cc1cnn(CC2CC2)c1NC(=O)[C@H]1C[C@@H]1C 69137057 BHPRHTUNUBTSRF-KWQFWETISA-N 233.315 2.196 0 40 BEAB C[C@@H](CCc1ccccc1)N[C@@H]1CCOC1 70964716 JOOZSNTXHDGLDA-GXTWGEPZSA-N 219.328 2.386 0 40 BEAB CC(C)Oc1ccc([S@@](=O)O)cc1 71508018 KQGAQWRVFXQKQG-UHFFFAOYSA-N 200.259 2.054 0 40 BEAB Cc1cc(C)n(Cc2noc(-c3ccoc3)n2)n1 72293916 XVUFYIKTDOOCAP-UHFFFAOYSA-N 244.254 2.191 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)CCOc1ccccc1 78536741 ABSMQPPSBRUITQ-WCQYABFASA-N 233.311 2.180 0 40 BEAB C[C@H](NC(=O)c1cnco1)c1ccccc1 82305979 YPMQQHCCLPFZID-VIFPVBQESA-N 216.240 2.166 0 40 BEAB c1ccc(CN2CC[C@H]3CNCC[C@@H]3C2)cc1 84225114 HMEQPPDSBRYYKW-LSDHHAIUSA-N 230.355 2.118 0 40 BEAB in-vitro c1ccc2oc(COCc3ncc[nH]3)nc2c1 95990958 WXEBXWRRQFNUIM-UHFFFAOYSA-N 229.239 2.268 0 40 BEAB CCOC(=O)/C=C/OCc1ccccc1 96308781 YDELNQUDLFIEOJ-CMDGGOBGSA-N 206.241 2.280 0 40 BEAB C[C@@H](O)[C@@H]1CCCN(Cc2ccsc2)C1 97162222 JDUAPMVTYRTUMM-ZYHUDNBSSA-N 225.357 2.341 0 40 BEAB CO[C@H]1CCCC[C@@H]1OC(=O)C1CCC1 97404913 VUTNEPGKFVOBSS-QWRGUYRKSA-N 212.289 2.287 0 40 BEAB CCN1CCCC[C@H]1C(=O)N[C@H]1CC=CCC1 98012530 RHVORVWTCXKBGG-STQMWFEESA-N 236.359 2.086 0 40 BEAB CCNC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 98013999 QRVPOMSSPMEJKM-YPMHNXCESA-N 248.326 2.178 0 40 BEAB Cc1nnc(CN2[C@H]3CCCC[C@@H]3C[C@H]2C)n1C 98015855 YFFQLJHWIKZASN-RTXFEEFZSA-N 248.374 2.277 0 40 BEAB Cc1cc(NC(=O)NC2[C@@H]3CCCC[C@@H]23)no1 101477367 HGNMJUYIUMRZKS-RKDXNWHRSA-N 235.287 2.293 0 40 BEAB Cc1cnc(NC(=O)[C@@H]2CC2(C)C)s1 159263488 BAMJKPPLNPSWTE-ZETCQYMHSA-N 210.302 2.436 0 40 BEAB CC(C)Cn1cc(/C=C/c2ccncn2)cn1 180746996 WKXZTAXZJPRCQR-ONEGZZNKSA-N 228.299 2.500 0 40 BEAB CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223581958 MTQHNHODKDDRIU-LLVKDONJSA-N 247.338 2.469 0 40 BEAB CCCCCC[C@@H](O)C/C=C/C(=O)O 225452884 MWMIRIBJWGECFI-OLKPEBQYSA-N 200.278 2.349 0 40 BEAB biogenic,in-vitro CN(C)c1ccc(NC(=O)C(C)(C)C)cc1N 226262616 FISQUEHHFMHPTK-UHFFFAOYSA-N 235.331 2.319 0 40 BEAB Cc1cnn(C)c1CNCc1ccc(F)s1 256053581 SAJLFJMUZSDCDH-UHFFFAOYSA-N 239.319 2.219 0 40 BEAB CN(C)c1noc([C@@H]2CCc3ccccc3O2)n1 333749570 JVIVAHHJEZKIGL-NSHDSACASA-N 245.282 2.202 0 40 BEAB CC1(CC(F)F)CN(C(=O)C23CC(C2)C3)C1 627915880 LDFGVADKMWBFGS-UHFFFAOYSA-N 229.270 2.290 0 40 BEAB FC[C@@H]1CCN(c2ncnc3sccc23)C1 882841585 ZPWKJIGIIOITJG-QMMMGPOBSA-N 237.303 2.487 0 40 BEAB CCC(CC)C(=O)NC[C@H](CCSC)OC 1775967778 CSPRGEJUFYRWFT-NSHDSACASA-N 247.404 2.307 0 40 BEAB C=Cc1nc(N)nc(-c2ccc(C)cc2)n1 1585318 UOQFFDKTQRPRJM-UHFFFAOYSA-N 212.256 2.072 0 40 BEAB CNc1cc(SCc2ccccc2)nc(N)n1 1670217 HOOPCRXZRUPHJW-UHFFFAOYSA-N 246.339 2.393 0 40 BEAB CCN[C@@H](CCC1CCCCC1)C(=O)O 2042741 VFJKDEWRRDXKOF-NSHDSACASA-N 213.321 2.410 0 40 BEAB Cc1cc(C)nc(NC(=O)c2cccnc2)c1 3159744 UARUPWQNDYZOIT-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Nc1nc(Cc2cccc3ccccc23)n[nH]1 3723243 QEXSPZXZZYUIMO-UHFFFAOYSA-N 224.267 2.131 0 40 BEAB COc1ccc(OC)c(/C=C2/N=C(C)OC2=O)c1 5396861 PXPSCRCULWDBNH-YRNVUSSQSA-N 247.250 2.020 0 40 BEAB CC[C@H](O)[C@H]1Sc2ccccc2N1C 5499953 ZQAWGMGAQOXRPM-GXSJLCMTSA-N 209.314 2.326 0 40 BEAB CCOC(=O)[C@@H](OCC)c1ccccc1 5576086 PDXJOUJGAZJMKA-NSHDSACASA-N 208.257 2.327 0 40 BEAB biogenic CC[C@H](Oc1ccccc1)C(=O)NC1CC1 6048848 NJOQKRGTPXYOOU-LBPRGKRZSA-N 219.284 2.123 0 40 BEAB CCCNC(=S)Nc1cccnc1Cl 6332637 VGHXNNOAGXIBMS-UHFFFAOYSA-N 229.736 2.431 0 40 BEAB COC(=O)CSCc1ccccc1F 6490467 LWMCAPBSCXUWFR-UHFFFAOYSA-N 214.261 2.232 0 40 BEAB C[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 6498348 WHNIMAHOWZCQFM-JTQLQIEISA-N 243.310 2.435 0 40 BEAB CCC[C@H](Nc1ccccc1F)C(=O)O 8730656 JHRJRUBQTXBHQZ-JTQLQIEISA-N 211.236 2.491 0 40 BEAB COc1ccc2c(c1)c(C)cc1nnc(S)n12 12505975 DJYZDCQILMYJJT-UHFFFAOYSA-N 245.307 2.488 0 40 BEAB O=C(c1cccnc1)n1cnc2ccccc21 13233943 MHMGFQFZJDJMJS-UHFFFAOYSA-N 223.235 2.120 0 40 BEAB CC(=O)NCCCc1cccc(Cl)c1 13755770 XLRZMDGCZLZQMM-UHFFFAOYSA-N 211.692 2.409 0 40 BEAB COCCCNC(=O)c1ccc2ccccc2n1 14235495 LESCKVUTPCZCFA-UHFFFAOYSA-N 244.294 2.001 0 40 BEAB CC(C)N(CC(N)=O)Cc1ccc(Cl)cc1 16419519 SFKCEVFRURWQGU-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB Cc1nc(O)c(F)c(C(F)(F)C(F)(F)F)n1 17289398 ZPAKINYKOYTUPW-UHFFFAOYSA-N 246.110 2.284 0 40 BEAB c1coc(CN2CCN(Cc3ccco3)CC2)c1 19832121 CZPFWOPTJKHIOK-UHFFFAOYSA-N 246.310 2.190 0 40 BEAB Fc1cccc(F)c1CNCCN1CCCC1 20126742 TYMZZOFAAGMXSV-UHFFFAOYSA-N 240.297 2.150 0 40 BEAB O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCC1 22142967 SYOBZRCRSSQUOI-GFCCVEGCSA-N 247.294 2.119 0 40 BEAB Nc1ccc2nc(NC(=O)C3CC3)sc2c1 22173356 FBYQZEDMIYTRKV-UHFFFAOYSA-N 233.296 2.227 0 40 BEAB CCONC(=O)CCc1c[nH]c2ccccc12 24969589 DWBTXOVNWSQWSP-UHFFFAOYSA-N 232.283 2.168 0 40 BEAB COCCNC(=O)c1oc2ccc(C)cc2c1C 28575619 RJYJQRCDTOMOEZ-UHFFFAOYSA-N 247.294 2.426 0 40 BEAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 32901403 XPRNKOYCCLDTKJ-SNVBAGLBSA-N 218.300 2.262 0 40 BEAB Cc1ccccc1C(=O)NCCc1ccccn1 33028138 FUCALFFOTMYIBK-UHFFFAOYSA-N 240.306 2.363 0 40 BEAB O=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 34785227 CEOKBKQHDGSNSQ-UONOGXRCSA-N 229.323 2.488 0 40 BEAB in-vitro Cc1cccc(-n2cccc2C(=O)O)c1 35431538 RLLWJENORPRFIZ-UHFFFAOYSA-N 201.225 2.484 0 40 BEAB CNCc1cc(-c2ccc(F)cc2)on1 35655529 CMVUOBRMVLVKHT-UHFFFAOYSA-N 206.220 2.200 0 40 BEAB c1ccc(CCNC2Cc3ccccc3C2)nc1 35657898 ULBXKGGPBKDAQG-UHFFFAOYSA-N 238.334 2.381 0 40 BEAB CCCOc1ccccc1[C@H](C)NC=O 36562489 ITVOOKSWYVGJFF-JTQLQIEISA-N 207.273 2.282 0 40 BEAB C[C@H]1CN(c2ccc(F)cc2C=O)C[C@@H](C)O1 37233690 RNUQESWOTDOHNX-AOOOYVTPSA-N 237.274 2.252 0 40 BEAB CCOC(=O)[C@H]1CCNc2ccccc21 40448693 KAPGAOSLPHJFCS-JTQLQIEISA-N 205.257 2.149 0 40 BEAB in-vitro COCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 48324751 YSUOQZKOQNGYEQ-NEPJUHHUSA-N 239.359 2.378 0 40 BEAB CC(C)=CC(=O)NC[C@@H](C)Cn1nc(C)cc1C 48408300 REERPVBEZAAXOC-LLVKDONJSA-N 249.358 2.218 0 40 BEAB S=C1NC2(CCCC2)NC12CCCC2 56701122 QQZRGXFKYBEZHL-UHFFFAOYSA-N 210.346 2.090 0 40 BEAB O=C(NCCSC(F)(F)F)c1ccco1 58308873 IGOHMOHVLVRTJW-UHFFFAOYSA-N 239.218 2.262 0 40 BEAB Cc1cc(C)c2c(=O)ccn(CCC(=O)O)c2c1 62718830 GEHNYBJSABFHMA-UHFFFAOYSA-N 245.278 2.093 0 40 BEAB CC(C)N1CCC[C@H]1c1ccc(N)nc1 72212362 QYUXEAIYHUXLDR-NSHDSACASA-N 205.305 2.209 0 40 BEAB COC(=O)c1ccnc2c(OC)cccc12 72221176 QSFHFIGETKEACP-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB c1nc(N2CCCC2)c2sccc2n1 73108978 FCHKTDZMHWENEO-UHFFFAOYSA-N 205.286 2.292 0 40 BEAB O=C(O)c1cncn1Cc1ccc(Cl)cc1 73738903 BZLCPYFPLKYRIZ-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB COc1cccc(-n2ccc(C=O)c2)c1 78582697 VUYRYMYMHLKILY-UHFFFAOYSA-N 201.225 2.298 0 40 BEAB Brc1ccc(-c2cnco2)nc1 84324989 JIFHUVARPDLYOE-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB Cc1ccc2c(c1)NC[C@@H](CCC(=O)O)C2 84780498 XKIRXMIOZMWXOL-JTQLQIEISA-N 219.284 2.444 0 40 BEAB c1cn(CCSC[C@@H]2CCCOC2)cn1 95976702 UCLJSICTVKOPNM-LLVKDONJSA-N 226.345 2.043 0 40 BEAB CCOC(=O)c1ncn(Cc2ccccc2)c1C 96524051 HJQQYURRTLCPPP-UHFFFAOYSA-N 244.294 2.417 0 40 BEAB C[C@@H]1C[C@H]1CN1CCC[C@H](n2cccn2)C1 97105427 DGNVTCBDABDRFN-AGIUHOORSA-N 219.332 2.176 0 40 BEAB CN1[C@@H]2CC[C@@H]1c1cc(C(=O)O)sc1C2 102464812 BWFDNMWCTJTXQV-HTRCEHHLSA-N 223.297 2.138 0 40 BEAB CCOc1ccc(CNCc2ccn(C)n2)cc1 112343002 BCEIDIIRYBUOSI-UHFFFAOYSA-N 245.326 2.109 0 40 BEAB CCOC(=O)[C@@H]1CNc2ccc(C)cc2C1 202543548 DBMVQUYPRJIPLJ-NSHDSACASA-N 219.284 2.142 0 40 BEAB C[C@H]1C[C@](C)(NC(=O)OC(C)(C)C)C[C@@H]1O 217891862 UTINLICILIBKRJ-AUTRQRHGSA-N 229.320 2.061 0 40 BEAB c1ccc(CN2CCN[C@H]3CCC[C@@H]32)cc1 225716100 OMWCMAVXTQXEHA-KBPBESRZSA-N 216.328 2.013 0 40 BEAB Clc1n[nH]c2nccc(Br)c12 514253593 JAMOFCAXIPDRKX-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB Clc1cnn(CC2CN(C3CCCC3)C2)c1 1849312735 OQHNPCOUTAZBSL-UHFFFAOYSA-N 239.750 2.411 0 40 BEAB C[C@H]1[C@H](C)[C@@](O)(c2ccccc2)CCN1C 1001646 BPCAXUWVIOXYQR-SGMGOOAPSA-N 219.328 2.234 0 40 BEAB O[C@H](c1cccc2ncccc12)[C@H]1CCCCN1 1873722 GLUILMXLFMYLMU-HUUCEWRRSA-N 242.322 2.410 0 40 BEAB c1ccc2c(CNC[C@H]3CCCO3)c[nH]c2c1 4498048 GUAGFSDMDPMFPI-GFCCVEGCSA-N 230.311 2.437 0 40 BEAB N[C@]1(C(=O)c2ccccc2)C[C@H]2CC[C@@H]1C2 5120692 WXMKFJNHLNQUQQ-ZKYQVNSYSA-N 215.296 2.387 0 40 BEAB COc1ccc(NC(C)=O)cc1NC(=O)C1CC1 6262383 HQCWJISDXISJSJ-UHFFFAOYSA-N 248.282 2.002 0 40 BEAB Fc1ccccc1C1=NN=C(NC2CC2)SC1 6859479 OQLYFHMMZBFPPH-UHFFFAOYSA-N 249.314 2.385 0 40 BEAB Cc1ccc(C(=O)OCc2cc(C)on2)c(O)c1 7831807 HVMWWIIUVGFBMG-UHFFFAOYSA-N 247.250 2.354 0 40 BEAB CCCNC(=O)c1cc2cc(OC)ccc2[nH]1 9483502 VPMMEJQJQHRGKF-UHFFFAOYSA-N 232.283 2.316 0 40 BEAB CCc1ccc(C(=O)Cn2ccccc2=O)cc1 15593777 SZRNFZFQKREELF-UHFFFAOYSA-N 241.290 2.294 0 40 BEAB Cc1ccsc1/C=C1/SC(=O)NC1=O 16970888 AWCNNXMPSCQUMK-QPJJXVBHSA-N 225.294 2.380 0 40 BEAB Fc1cccc2c3c([nH]c12)CNCCC3 20217044 NKIRVNOWZKHGSS-UHFFFAOYSA-N 204.248 2.343 0 40 BEAB in-vitro CC[C@H](c1ccccc1)N1CCNCC1 20264315 JMCIDTWYFZBDNL-CYBMUJFWSA-N 204.317 2.043 0 40 BEAB in-vitro CCCC[C@](N)(C(=O)OC)c1ccccc1 21299088 GTGCPCXBADEBNA-CYBMUJFWSA-N 221.300 2.204 0 40 BEAB Nc1cc(C(=O)O)ccc1NC1CCCC1 21993982 AJYJVSMADKLCBU-UHFFFAOYSA-N 220.272 2.322 0 40 BEAB O[C@@]1(c2ccc(Cl)c(Cl)c2)CCNC1 33856649 VTDDGZREKRAICG-JTQLQIEISA-N 232.110 2.174 0 40 BEAB Cc1[nH]c2ccc(C(N)=S)cc2c1C 36379921 IZPVZTKQYGFGLH-UHFFFAOYSA-N 204.298 2.419 0 40 BEAB CC(C)c1ccc([C@]2(C)CC(=O)NC2=O)cc1 36929049 QYDFHSLIPPLNND-AWEZNQCLSA-N 231.295 2.114 0 40 BEAB in-vitro CC1CCC(NC(=O)Nc2nncs2)CC1 40525264 ZAEOOEKQUMWFCK-UHFFFAOYSA-N 240.332 2.238 0 40 BEAB COc1cccc(COCC2CCNCC2)c1 42782992 MIJNUINYXGYCPD-UHFFFAOYSA-N 235.327 2.211 0 40 BEAB C[C@@H](N)[C@@H](c1ccccc1Cl)n1cccn1 43053010 RBFBNXLLMBVAJX-SKDRFNHKSA-N 235.718 2.473 0 40 BEAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2 45918603 OIAFGLOZLZXVAU-UHFFFAOYSA-N 205.257 2.315 0 40 BEAB C1CCC(Sc2nnnn2C2CC2)C1 60346736 DRFWFSGLSPYMHX-UHFFFAOYSA-N 210.306 2.043 0 40 BEAB CCCC(=O)O[C@H](C)c1nc(C2CC2)no1 60794233 PNSABJZZLHSABJ-SSDOTTSWSA-N 224.260 2.351 0 40 BEAB NC[C@@]1(CO)C[C@@H]1c1cc(Cl)cc(Cl)c1 62713760 VNCYDWKHUUKZGP-GHMZBOCLSA-N 246.137 2.418 0 40 BEAB COc1cccc(C(=O)CSC)c1OC 69984485 MDHCZWZBQLDDPH-UHFFFAOYSA-N 226.297 2.250 0 40 BEAB CC(C)(C)OC(=O)N1CCN[C@@H]2CCCC[C@@H]21 72210183 URXTVALAEXFDQW-MNOVXSKESA-N 240.347 2.138 0 40 BEAB COC(C)(C)c1noc(-c2cccc(C)n2)n1 72312883 ZGDPKKJRFJGNCM-UHFFFAOYSA-N 233.271 2.322 0 40 BEAB CS[C@H]1CCC[C@H]1N(C)Cc1ccno1 72896476 QDLCEWFDBKAZHQ-MNOVXSKESA-N 226.345 2.391 0 40 BEAB C[C@H](C(=O)NCCn1cccc1)c1cccs1 75093080 XTOGTLWIMWDOAO-NSHDSACASA-N 248.351 2.470 0 40 BEAB CCS[C@@H]1CC[C@@H](N(C)CCOC)C1 76068125 QZPJMAAVNYMIHR-GHMZBOCLSA-N 217.378 2.239 0 40 BEAB CC[C@@H](O)[C@@H]1CCCCN1Cc1ccccn1 76325326 KYZZETHYMGFHOY-UONOGXRCSA-N 234.343 2.207 0 40 BEAB CCc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)cc1 78739048 ZQARJYZAXJBHMC-WDEREUQCSA-N 234.343 2.164 0 40 BEAB CCn1cc(CNc2ccc(CCO)cc2)cn1 83843581 JIMAULRFNPZTFN-UHFFFAOYSA-N 245.326 2.050 0 40 BEAB CCOC(=O)c1cnc(Cl)nc1SC 88369396 BANQXEHWNVRPSY-UHFFFAOYSA-N 232.692 2.029 0 40 BEAB O=C(Nc1ncnc2[nH]ccc12)c1ccccc1 89223891 KXBBZQVIMDGQOM-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB COCCCCC(=O)Nc1ccc(C)c(O)c1 95418181 XFNVFNNECGORAR-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB Cc1cc(C(=O)OCc2ccoc2C)ncn1 95444286 XXZAEJZWIFWRHD-UHFFFAOYSA-N 232.239 2.043 0 40 BEAB CC(C)(C)OC(=O)Nc1ccoc1C=O 95760935 NCZAGJRYZKDOCP-UHFFFAOYSA-N 211.217 2.439 0 40 BEAB CC(C)(C)OC(=O)NCc1cccc(F)n1 95930536 OLFNRYHSIZUUHT-UHFFFAOYSA-N 226.251 2.245 0 40 BEAB CNc1ccccc1C(=O)OCc1ccccn1 95948028 ZEFANOSLSUYHLO-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CN1CCC(Nc2cc(C3CCC3)nn2C)CC1 95991626 XRFIAXUDHHKJDD-UHFFFAOYSA-N 248.374 2.194 0 40 BEAB Nc1cc2c(C(=O)O)c[nH]c2cc1C(F)(F)F 96985840 DVJKORRQSHUTRX-UHFFFAOYSA-N 244.172 2.467 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCCNC1CCCCCC1 122232611 BGNRNVIHSONJNQ-AAEUAGOBSA-N 238.375 2.071 0 40 BEAB Cc1cnn(CCc2ccc3c(c2)CCO3)c1 133878833 QPJFUKZNRDJVCH-UHFFFAOYSA-N 228.295 2.369 0 40 BEAB O=C(OCC(F)F)OCC(F)(F)C(F)F 169795637 DCJNEQBBLMAAMI-UHFFFAOYSA-N 240.099 2.305 0 40 BEAB CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 182913763 YHEVBQHSLWFNTK-ZDUSSCGKSA-N 248.326 2.176 0 40 BEAB CN(N)c1ccc2cc(Cl)ccc2n1 199546701 WPHAVVFRRYRXNT-UHFFFAOYSA-N 207.664 2.198 0 40 BEAB CC[C@@](C)(C(=O)OC)N1CCCC[C@H]1C 248210256 CTPRENUGVAXXEO-PWSUYJOCSA-N 213.321 2.203 0 40 BEAB COCC[C@@H](NC1CSC1)C(C)(C)C 308516635 MZHMKDAKUSQPFB-SNVBAGLBSA-N 217.378 2.143 0 40 BEAB O=Cc1cc2c(c(-c3ccncc3)c1)OCO2 521399439 IEBFVXGQRDHQSW-UHFFFAOYSA-N 227.219 2.290 0 40 BEAB Cc1cccnc1OC[C@H]1CCCOC1 585654985 POFZUZNNWFKRPT-NSHDSACASA-N 207.273 2.195 0 40 BEAB CN(C)c1ccc(C(=O)NCc2ccco2)cc1 284880 ADYOPGNIYVDREN-UHFFFAOYSA-N 244.294 2.276 0 40 BEAB Cc1ccc(F)c(NC(=O)c2cnn(C)c2C)c1 2760120 SNVFMVOEBZFMOF-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB CCCC(=O)NCc1ccccc1OC 3094200 HIXFASOHBYDACU-UHFFFAOYSA-N 207.273 2.112 0 40 BEAB C[C@@H]1CC[C@H]2C(=O)C[C@@H](O)[C@@H]3[C@H]([C@H]12)C3(C)C 4104714 FVMMGLODIHOTCO-ILBZDFCWSA-N 222.328 2.255 0 40 BEAB biogenic,in-vitro CC(C)CCn1c(=O)oc(=O)c2ccccc21 5234848 OWSDIKSPNCPMCL-UHFFFAOYSA-N 233.267 2.001 0 40 BEAB CC(=O)CC(=O)Nc1ccc2c(c1)CCC2 5517951 QTYRQXMELIMTRW-UHFFFAOYSA-N 217.268 2.093 0 40 BEAB Cc1nc(NC(=O)c2ccncc2)sc1C 5749354 PRTLGFPSBFWRJN-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Nc1ccc(C(=O)OCc2ccccc2)c(O)c1 5934217 CZAAMPINPSQRLM-UHFFFAOYSA-N 243.262 2.331 0 40 BEAB O=C(NCCc1c[nH]cn1)c1ccccc1Cl 6448523 ZOQMHTDDVZEKOU-UHFFFAOYSA-N 249.701 2.036 0 40 BEAB O=C1CC[C@@H]2c3[nH]c4ccccc4c3CCN12 6576348 QYILEJPKUMPTSA-GFCCVEGCSA-N 226.279 2.388 0 40 BEAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2O)cc1 6922956 WYQVMNNOJHPEAF-VXGBXAGGSA-N 234.299 2.030 0 40 BEAB O=C(NCc1ccccc1)NCc1ccccn1 9336402 RUOHNDITJXYSSQ-UHFFFAOYSA-N 241.294 2.081 0 40 BEAB Cc1cccc2c1NC(=O)[C@@H]1[C@H](C)CC(=O)O[C@@H]21 17680661 NONFWADWZXFNGC-DYLAAIIWSA-N 245.278 2.187 0 40 BEAB CCOc1ccccc1CN1CCC[C@H](CO)C1 23115150 IMQFQSKXUWEILS-ZDUSSCGKSA-N 249.354 2.290 0 40 BEAB NCC[C@@H](O)c1c[nH]c2cc(Cl)ccc12 32629241 DRIFOIRAHAMTJC-LLVKDONJSA-N 224.691 2.204 0 40 BEAB CCN(CC)C(=O)[C@@H]1COc2ccccc2C1 32784529 PFODEYDKGWMRBT-LBPRGKRZSA-N 233.311 2.106 0 40 BEAB O=C(c1ccc(-n2ccnc2)cc1)N1CCCC1 36392812 DJAVJIDLYYCKRF-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CC1 37263106 JBLUXZWVKSRNJN-UONOGXRCSA-N 245.322 2.229 0 40 BEAB O=c1cc(-c2ccccc2)nc(N2CCCC2)[nH]1 40887683 AEFFGSIAVGSXLN-UHFFFAOYSA-N 241.294 2.037 0 40 BEAB Cc1nc(CNC(=O)c2ccc[nH]2)sc1C 41570585 YPJMICKPKPSZIP-UHFFFAOYSA-N 235.312 2.018 0 40 BEAB CN(C)c1ccc(C(=O)CC(C)(C)C(=O)O)cc1 43214231 FLRDZAZXIZUWBY-UHFFFAOYSA-N 249.310 2.436 0 40 BEAB COC(=O)c1ccc([C@@H](O)C(F)(F)F)cc1 43367974 PLJUNKFWSHGRNI-MRVPVSSYSA-N 234.173 2.069 0 40 BEAB in-vitro Cc1ccc(NCc2ncc[nH]2)c(F)c1 49714787 PMGPTHDUGYVUPN-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB CON(C)C(=O)Cc1ccc(C(F)(F)F)cc1 57987938 IYOSQNVUCGDERV-UHFFFAOYSA-N 247.216 2.268 0 40 BEAB CCCc1noc2nc3c(c(C(=O)O)c12)CCC3 62710612 QMFULFAWVCGSPW-UHFFFAOYSA-N 246.266 2.362 0 40 BEAB CC(C)N1CCN(Cc2ccsc2)CC1 65539924 PBWSTVFZNSYYQA-UHFFFAOYSA-N 224.373 2.274 0 40 BEAB CNC(=O)CN(Cc1ccc(C)s1)C(C)C 67461448 SXZIJMHAQJBRMP-UHFFFAOYSA-N 240.372 2.013 0 40 BEAB CCCC(C)(C)NC(=O)Nc1cn[nH]c1 71909531 ROUQSXFCPJZMQF-UHFFFAOYSA-N 210.281 2.110 0 40 BEAB CC(C)C[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 73189954 GKMSKOKQHRLOJO-CHWSQXEVSA-N 249.358 2.339 0 40 BEAB Nc1nc(-c2ccc(C(F)(F)F)cc2)no1 75413498 PVYMOZGDTOTSAC-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB Cc1cccc(-c2noc(Cn3cccn3)n2)c1 76062587 UZRGYBMRFBZLFZ-UHFFFAOYSA-N 240.266 2.290 0 40 BEAB Cc1ccc(F)cc1C(=O)O[C@H]1CCOC1 78612243 VYPSIJAMNFYWCA-JTQLQIEISA-N 224.231 2.080 0 40 BEAB Cc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 83896441 VNAAVDLEBQNDPT-ZDUSSCGKSA-N 232.327 2.466 0 40 BEAB COC(=O)c1cc(Cl)nc2c1CCCC2 84311770 HRWPYTCDFQESAM-UHFFFAOYSA-N 225.675 2.400 0 40 BEAB NC(=S)Nc1cccc(-c2cscn2)c1 85389782 IECDGLIEDFIEFC-UHFFFAOYSA-N 235.337 2.466 0 40 BEAB CC(C)(C)OC(=O)Nc1cnc2c(c1)CCNC2 95698984 CJOQBPJEZPMOOY-UHFFFAOYSA-N 249.314 2.074 0 40 BEAB COC(=O)C(=O)c1cccc(C(C)(C)C)c1 95729559 MRJKUPQOCIDBEY-UHFFFAOYSA-N 220.268 2.340 0 40 BEAB CC(C)n1cc(N)c(NC2CCCC2)n1 95836728 FHEQKLNMIRHONG-UHFFFAOYSA-N 208.309 2.401 0 40 BEAB CC[C@@H](Cc1ccccc1)N(C)CCC(=O)NC 96424582 KHXOYOBXPGLBNO-AWEZNQCLSA-N 248.370 2.076 0 40 BEAB CCc1oc(C(=O)N[C@@H](C)c2ncon2)cc1C 97047474 HDZAYMMOSYXUME-QMMMGPOBSA-N 249.270 2.024 0 40 BEAB O=C(c1cccnc1)[C@@H]1Cc2ccccc2C1=O 100367145 OIRQRFHZNILPAA-ZDUSSCGKSA-N 237.258 2.320 0 40 BEAB C[C@@H]1CCc2c(nn(C3CCCC3)c2O)N1 110757649 NBYGFCDRVPBRER-MRVPVSSYSA-N 221.304 2.450 0 40 BEAB O=Cc1ccc(OCC(F)F)c(F)c1 123410567 QDHOLVNISYUOFQ-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB N[C@@H]1CCC[C@H]1Oc1cc(C(F)(F)F)ccn1 136425752 IVWXOLXVSKZUOG-RKDXNWHRSA-N 246.232 2.359 0 40 BEAB COc1cc(C)c(I)cn1 148377560 CPRBEQOMYWKCCN-UHFFFAOYSA-N 249.051 2.003 0 40 BEAB in-vitro CCOCCOc1c(F)cccc1OC 181727424 ABBWKUIGKYDXEO-UHFFFAOYSA-N 214.236 2.250 0 40 BEAB CC(C)c1cc([C@H]2CCNC(=O)C2)ccc1N 199778366 DOSWQEDJTUSBJB-NSHDSACASA-N 232.327 2.386 0 40 BEAB NCc1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 217622281 VXCMJHSSHQVAMK-UWVGGRQHSA-N 225.295 2.453 0 40 BEAB Cc1cc(N2CCOCC2)nc2c(O)cccc12 257820316 APWFYZVVDPAECL-UHFFFAOYSA-N 244.294 2.085 0 40 BEAB CC[C@H](C)C(=O)N[C@H]1CSC1(C)C 306226393 FYXUQIGDIQFUQN-YUMQZZPRSA-N 201.335 2.043 0 40 BEAB NC[C@@H]1CCC2(CCC(F)(F)CC2)O1 536950637 QGIUBDUKXMHEQO-QMMMGPOBSA-N 205.248 2.072 0 40 BEAB Cn1nnc2c(Cl)ccc(Cl)c21 725343356 LAEGNDMBTSGJHI-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB COC(C[C@](C)(O)Cc1ccc(F)cc1)OC 163542 AVZDLLDTMAVFRI-CYBMUJFWSA-N 242.290 2.128 0 40 BEAB CCCN1C2=NCCCN2c2ccccc21 1300557 DFFCSQVVYVRJIO-UHFFFAOYSA-N 215.300 2.483 0 40 BEAB N=C(N)[C@@H](O)c1cccc(Oc2ccccc2)c1 1439134 WFWFPRKLEYPTBE-ZDUSSCGKSA-N 242.278 2.448 0 40 BEAB O=S1(=O)c2ccccc2[C@@H]2CC=CC[C@@H]21 1667907 AAHUGKYBXQRWHB-JQWIXIFHSA-N 220.293 2.276 0 40 BEAB CCSc1nnc(NC(=O)[C@@H]2C[C@H]2C)s1 2648645 BLVUYYRLEVJVSH-PHDIDXHHSA-N 243.357 2.245 0 40 BEAB Cc1ccc(O)c(OCC(F)(F)F)c(=O)c1 3851559 RQOCVGVPMMOWLA-UHFFFAOYSA-N 234.173 2.002 0 40 BEAB biogenic CC(C)(C)C1=C[C@@](O)(C(C)(C)C)OC1=O 4419578 JHMQKONPMTWJSW-LBPRGKRZSA-N 212.289 2.250 0 40 BEAB COCCCN[C@@H]1CCOc2ccccc21 4570331 FTPVIPPRGOQALE-GFCCVEGCSA-N 221.300 2.136 0 40 BEAB CN1CCCC[C@H]1[C@](C)(O)c1ccccc1 4777751 LXDBGLKINLPWMY-UONOGXRCSA-N 219.328 2.378 0 40 BEAB Cc1ccnc(NC(=O)[C@@H](F)C(F)(F)F)c1 4852124 BSBZAQJYMONKJE-SSDOTTSWSA-N 236.168 2.229 0 40 BEAB C[C@H](Sc1ccc(Cl)cn1)C(=O)O 5919425 SHDDRLMWATUNEM-YFKPBYRVSA-N 217.677 2.300 0 40 BEAB CCNC(=O)c1oc2ccccc2c1COC 9219246 QSIBBKOBFQOSGG-UHFFFAOYSA-N 233.267 2.329 0 40 BEAB CC(C)N1CCN(C2CCCCC2)CC1 19900022 CADFCIVZOGTRRX-UHFFFAOYSA-N 210.365 2.345 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 23039765 DRXKPGOFEWGNPE-GXSJLCMTSA-N 247.294 2.442 0 40 BEAB O=C(O)C1=C(c2ccccc2)SCCO1 26442159 XIERJPKZYNUSIU-UHFFFAOYSA-N 222.265 2.203 0 40 BEAB CCn1cc(CNC(=O)c2ccc(C)cc2)cn1 28224969 ZQNLUPLYYWQITG-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB CCC(=O)N[C@H](c1ccccc1)c1nccn1C 32843434 RQDKAYWTNPUQIT-CYBMUJFWSA-N 243.310 2.036 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccn2)C1 33023832 PYDPTAHAJJXXDA-PHIMTYICSA-N 218.300 2.200 0 40 BEAB CC(C)OC(=O)[C@@H]1[C@@H](C)C1(Cl)Cl 33414729 JFFYDGAPRCIEIN-RITPCOANSA-N 211.088 2.378 0 40 BEAB CC(C)(C)OC(=O)NCC(=O)c1cccs1 34781581 ACAINZUPUQGBBN-UHFFFAOYSA-N 241.312 2.456 0 40 BEAB O=C(OCc1ccccn1)c1ccccc1O 36723948 XGSSAESCCGIFSY-UHFFFAOYSA-N 229.235 2.144 0 40 BEAB CCC[C@H](N)C(=O)N(CC)C1CCCCC1 36872866 RVWWLOMSLGXMST-LBPRGKRZSA-N 226.364 2.295 0 40 BEAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)C1CC1 39527618 LZWVPAOYWQMHDQ-MFKMUULPSA-N 245.322 2.152 0 40 BEAB CC(=O)N1CCc2ccc(N3CCCC3)cc21 41120915 ZZNCRRMSIKAIJF-UHFFFAOYSA-N 230.311 2.196 0 40 BEAB O[C@@](CF)(c1ccccc1)C(F)(F)F 44076474 DTYFNASZPQOBNS-QMMMGPOBSA-N 208.154 2.406 0 40 BEAB Cc1ccc(-c2cn(C)c3c(=O)[nH]cnc23)cc1 57519854 LEKQTUGFPHVMTN-UHFFFAOYSA-N 239.278 2.237 0 40 BEAB Cc1ncsc1C(=O)N(C)[C@H](C)C1CC1 58283493 BVKVTOXEFCBBBM-MRVPVSSYSA-N 224.329 2.322 0 40 BEAB CN(C)C(=O)c1cc(-c2cccs2)on1 58330123 PBXMIMZEIUQZCG-UHFFFAOYSA-N 222.269 2.105 0 40 BEAB N[C@@]1(C(=O)O)C[C@H]1c1cccc(Cl)c1Cl 62713042 YNZPPWVXHZCNLB-WKEGUHRASA-N 246.093 2.263 0 40 BEAB CCOC(=O)C(F)(F)c1ccc(C)nc1 62948443 ZXADEANRRGOUFQ-UHFFFAOYSA-N 215.199 2.045 0 40 BEAB in-vitro Cc1cc([C@H]2CCCN2C(C)C)c[nH]c1=O 72217958 AMQQYOSDFVKWKU-GFCCVEGCSA-N 220.316 2.229 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ccc(N)nc1C 72218595 WHWWMCMLLSEWMA-GFCCVEGCSA-N 233.315 2.046 0 40 BEAB COC[C@@H](C)Oc1ccc(-c2nnco2)cc1 72311192 ILWOHNPMXYAJIO-SECBINFHSA-N 234.255 2.150 0 40 BEAB CC(C)CC(=O)N1CCC[C@@H]1c1cnccn1 72361281 LDZXQRGJEWNFRF-GFCCVEGCSA-N 233.315 2.186 0 40 BEAB NC(=O)Nc1cccc(C(F)(F)F)c1F 75903282 UQWICPCHLMVRKO-UHFFFAOYSA-N 222.141 2.335 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 83896435 IQWZTPDZYDOMTF-CYBMUJFWSA-N 232.327 2.466 0 40 BEAB COc1ccc(C2([C@H](C)O)CC2)cc1OC 84420467 HCKKQFXSFQCDCT-VIFPVBQESA-N 222.284 2.116 0 40 BEAB Nc1n[nH]c2cc(Br)cc(F)c12 89197478 OLSISKHGQBVTEW-UHFFFAOYSA-N 230.040 2.047 0 40 BEAB CCOc1c(Cl)ccc(CO)c1F 91251984 KEZBCIIBPSEUHP-UHFFFAOYSA-N 204.628 2.370 0 40 BEAB C[C@H]1Cc2ccccc2N1C(=O)CC1(N)CCC1 94293438 XSLCRJYBDDQQHH-NSHDSACASA-N 244.338 2.236 0 40 BEAB COCCCNCc1cccc(C)c1OC 95094814 NSHAJPJERBKQQX-UHFFFAOYSA-N 223.316 2.130 0 40 BEAB CC(=O)Oc1ccc2ccc(O)cc2c1 95218185 OPAWKBQBXLRPLC-UHFFFAOYSA-N 202.209 2.471 0 40 BEAB in-vitro Cc1nnc(SCCC2CCNCC2)s1 95908649 SSZODPWCISWCDX-UHFFFAOYSA-N 243.401 2.328 0 40 BEAB COC[C@@H](OC(=O)c1cncc(F)c1)C(C)C 97014683 WBFWMOINZJLVTP-LLVKDONJSA-N 241.262 2.049 0 40 BEAB CCCN(CCC)C(=O)[C@H](C)n1cccn1 97130889 ONDVGPSVBATTTP-NSHDSACASA-N 223.320 2.093 0 40 BEAB COc1cc(C(C)=O)c(F)c(F)c1C 98210783 ATXZTBZNVVQIAR-UHFFFAOYSA-N 200.184 2.484 0 40 BEAB CCNC(=O)c1ccc(N[C@@H](C)CC)c(N)c1 213354185 MHGISIMQLBFTDS-VIFPVBQESA-N 235.331 2.229 0 40 BEAB Cc1cc2c(o1)C[C@@H](C(F)F)C[C@H]2O 217646911 GKRRKYGITKISPK-POYBYMJQSA-N 202.200 2.449 0 40 BEAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CO2 217991168 KCWTUTJWGBZQPM-BXKDBHETSA-N 227.304 2.032 0 40 BEAB CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C 219649334 GDZPWQCQDBQIJJ-OCCSQVGLSA-N 247.338 2.318 0 40 BEAB N=C(N)Cc1cccc(OC(F)(F)F)c1 228969668 JPPVWMHZDMLCHP-UHFFFAOYSA-N 218.178 2.064 0 40 BEAB CCc1nc(Cl)ncc1Br 231140950 LXSSTXFGZLTAAU-UHFFFAOYSA-N 221.485 2.455 0 40 BEAB Cc1nscc1-c1nc([C@@H]2CCOC2)no1 252487271 HTSKJQOZOMFXHI-SSDOTTSWSA-N 237.284 2.005 0 40 BEAB CCCn1cc(CNc2nn(CC)cc2C)cn1 256054367 WAGSVVRDCAIITP-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB COc1ccc2c(c1)[C@H]1ON=C[C@H]1CC2 408721920 BIJUKCPADWBNRC-SKDRFNHKSA-N 203.241 2.315 0 40 BEAB c1cnnc(N2CCC[C@]3(CCSC3)C2)c1 578604316 GNBNXIMEDQWQML-LBPRGKRZSA-N 235.356 2.200 0 40 BEAB C[C@@H](C(=O)N1CC2CC1(C)C2)c1ccncc1 630085495 MLJSZDIKZMFLEP-CDWSIMAYSA-N 230.311 2.196 0 40 BEAB O=C(c1ccno1)N1CC[C@@H](c2ccsc2)C1 675008417 XJJHIYNDFMXFFF-SECBINFHSA-N 248.307 2.366 0 40 BEAB O=C([C@H]1CCCSC1)N1Cc2ccncc2C1 848383506 VEZHRXAQDMNXPS-NSHDSACASA-N 248.351 2.067 0 40 BEAB CCOC(=O)c1cccc(NC(=O)CC)c1 350351 PRKVHVGYCSCFRL-UHFFFAOYSA-N 221.256 2.212 0 40 BEAB COc1ccc(Cl)cc1N1C(=O)CCC1=O 401164 LWJIQUAXZJZXBX-UHFFFAOYSA-N 239.658 2.002 0 40 BEAB C/C=C/C(=O)Nc1nnc(C(C)C)s1 1356294 WSEGQUNQNPWNNY-SNAWJCMRSA-N 211.290 2.176 0 40 BEAB O=C(O)c1ccc(OCc2cscn2)cc1 4218230 NJQRRSFGXSZIJE-UHFFFAOYSA-N 235.264 2.420 0 40 BEAB O=C(O)[C@]1(Cc2ccccc2Cl)CCCN1 4240967 DHCULKZTSGDUNZ-GFCCVEGCSA-N 239.702 2.089 0 40 BEAB CN(C)CCC(=O)c1ccc(F)c(F)c1 4645123 FBSUBOFOVZBQRL-UHFFFAOYSA-N 213.227 2.099 0 40 BEAB COc1ccc2c(c1)C(C)(C)C[C@H](NO)C2 4934624 MXJOIUPBLWEYOD-SNVBAGLBSA-N 221.300 2.266 0 40 BEAB Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 5547945 CRTSCPLAEBMXEI-RYUDHWBXSA-N 233.311 2.244 0 40 BEAB COCCn1c(Cc2ccccc2)n[nH]c1=S 5981727 AMUFUVJIBIEAFX-UHFFFAOYSA-N 249.339 2.178 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1OC 12971309 CDEZZXYETAIBRE-PSASIEDQSA-N 235.283 2.298 0 40 BEAB CC(C)(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 13011527 OTNFLYHJJDZFEQ-UHFFFAOYSA-N 247.298 2.231 0 40 BEAB CCCNCCOc1ccc(OC)cc1 19738004 QLPHHQSVUMGFJN-UHFFFAOYSA-N 209.289 2.074 0 40 BEAB CC1(C)[C@@H]2C(=O)CC[C@@H]3CC[C@](C)(O)[C@H]3[C@H]21 19800969 MPVLWELHRXVGPH-PDOXLSOOSA-N 222.328 2.399 0 40 BEAB biogenic,in-vitro Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 19874563 HTTWPHVXNOQCJQ-UHFFFAOYSA-N 228.251 2.065 0 40 BEAB in-vitro CC[C@H](C)n1ncc2c(C(=O)O)cc(C)nc21 20314172 IQLFFGJLHQSXST-QMMMGPOBSA-N 233.271 2.409 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1OC 20392381 ASXMOCXJDQURGK-FBIMIBRVSA-N 222.284 2.188 0 40 BEAB COc1ccc(-c2nc(C(=O)O)c(C)[nH]2)cc1 20417921 ZVPDNGOBUDUCMJ-UHFFFAOYSA-N 232.239 2.092 0 40 BEAB NCc1ccc(N2CCc3ccccc3C2)nc1 22221730 GCHRNHRZICICMB-UHFFFAOYSA-N 239.322 2.103 0 40 BEAB COCc1cccc(NC(=O)C2CCOCC2)c1 25335135 FCZXSKINADKBHW-UHFFFAOYSA-N 249.310 2.198 0 40 BEAB CCOc1ccc([C@H]2C[C@H]2C(=O)O)cc1 31829293 LPXOGNLUMUAOSY-GHMZBOCLSA-N 206.241 2.273 0 40 BEAB CCN(CC)[C@H](CN)c1cccc(OC)c1 32497126 FDSWKHRJTLVBAX-CYBMUJFWSA-N 222.332 2.037 0 40 BEAB in-vitro CCCNC(=O)c1cc2ccsc2[nH]1 32906144 JZYDYMZUDCMMRB-UHFFFAOYSA-N 208.286 2.369 0 40 BEAB OCc1csc(-c2ccc3c(c2)OCO3)n1 33465320 TZLASXJUHCBKSL-UHFFFAOYSA-N 235.264 2.031 0 40 BEAB CCC[C@H](C(=O)O)N1C[C@@H](C)C[C@H](C)C1 35655741 WEUHQCHOHUHRTR-GARJFASQSA-N 213.321 2.218 0 40 BEAB CN(C)C(=O)CN[C@H]1CCCC[C@@H]1C(C)(C)C 37207478 DDIOPXRIDRCGHI-RYUDHWBXSA-N 240.391 2.269 0 40 BEAB C[C@@H](NN)c1ccc(Br)s1 38003524 PLAJJQLADPVWBX-SCSAIBSYSA-N 221.123 2.035 0 40 BEAB CCC(C)(C)NC(=O)Cc1cn2ccccc2n1 40489170 JISJCIGUFYPPSK-UHFFFAOYSA-N 245.326 2.182 0 40 BEAB COC(=O)N1CCc2ccc(N3CCCC3)cc21 41121047 DSSUWEDBZAXCPX-UHFFFAOYSA-N 246.310 2.416 0 40 BEAB CCCC(=O)N(C)CCc1ccccc1 45177955 LHVYQTKKCBLJQX-UHFFFAOYSA-N 205.301 2.488 0 40 BEAB C[C@H]1CCCN(c2cc(=S)[nH]cn2)C1 45918621 WGKGBYPGDQPCTO-QMMMGPOBSA-N 209.318 2.375 0 40 BEAB COc1ccc(NC(=O)N2CCCC[C@H]2C)cn1 48019335 RMJMBEPYHLJQHW-SNVBAGLBSA-N 249.314 2.497 0 40 BEAB O=C(NCCc1ccccc1)NCc1ccco1 48313004 CXGXTUQSGFQDCH-UHFFFAOYSA-N 244.294 2.322 0 40 BEAB CC(C)CC(=O)NCCCN1CCCCCC1 57288792 PJUCJMDGMZJWEP-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB C[C@H]1CCCN(C(=O)C2CCOCC2)CC1 62923938 LNDXKIGYNMGVHH-NSHDSACASA-N 225.332 2.062 0 40 BEAB CSc1c(F)cc(C(=O)O)cc1F 63006625 GYAPCIJKGBZQRT-UHFFFAOYSA-N 204.197 2.385 0 40 BEAB C[C@@](CO)(c1cccs1)N1CCCCC1 70453237 DIIKMBMVOGZIKZ-GFCCVEGCSA-N 225.357 2.442 0 40 BEAB C[C@H](c1nc(C2CC2)no1)N1CCCCC1 71186378 XTHQGXQCNMQSIJ-SECBINFHSA-N 221.304 2.494 0 40 BEAB c1ccc(Nc2nccc([C@H]3CCCN3)n2)nc1 72376720 MQQRCGSUGLJGRM-SNVBAGLBSA-N 241.298 2.040 0 40 BEAB c1cc2c(cc1CCN1CCCC1)CCO2 75616261 FBPJKSAAVDFOEB-UHFFFAOYSA-N 217.312 2.260 0 40 BEAB C[C@@H](N)COc1ccc(C(F)(F)F)cc1 75881436 LEDXTXLXZZVLGQ-SSDOTTSWSA-N 219.206 2.431 0 40 BEAB COCCNC(=O)N(C)CC1CCC(C)CC1 76065820 JOVRKZDUQZFAIG-UHFFFAOYSA-N 242.363 2.101 0 40 BEAB O=c1[nH]c(CCC(F)(F)F)nc2ccsc12 79913362 NQIGDLYPJJPTLK-UHFFFAOYSA-N 248.229 2.480 0 40 BEAB N[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 84551429 WPXZCEZLJCPGTK-NSHDSACASA-N 242.725 2.402 0 40 BEAB O[C@H]1C[C@H](C(F)(F)F)Cc2occc21 85399119 FTZPTZPDPBNTEC-FSPLSTOPSA-N 206.163 2.438 0 40 BEAB Cc1c(F)cc(N)c2nc(C=O)ccc12 85399768 MPZVDTGUBWVKJS-UHFFFAOYSA-N 204.204 2.077 0 40 BEAB O=C(CC1CCCC1)NC[C@@H](O)c1ccoc1 85471618 VIRINGMZVNXPPA-GFCCVEGCSA-N 237.299 2.010 0 40 BEAB C[C@H](N)COCc1ccc(OC(F)F)cc1 89263508 KFHISSGQOPRACM-QMMMGPOBSA-N 231.242 2.152 0 40 BEAB COC[C@H]1CCCN1C(=O)OC(C)(C)C 95076241 VVYBFIUFTNNVHS-SECBINFHSA-N 215.293 2.032 0 40 BEAB O=C(O)/C=C\C(=O)c1cc(F)cc(Cl)c1 95727012 AZQUASAREOTZHZ-UPHRSURJSA-N 228.606 2.303 0 40 BEAB CCc1ccccc1C(=O)Nc1cnccn1 95944525 MGCPTXHREDSYAJ-UHFFFAOYSA-N 227.267 2.291 0 40 BEAB CN1CCC[C@@]12CCCN(Cc1ccco1)C2 96214678 ZQJVTRPCCHAGGU-AWEZNQCLSA-N 234.343 2.340 0 40 BEAB CCCNC(=O)COc1ccc2c(c1)CCCC2 96586646 NYKMTJNASGXDII-UHFFFAOYSA-N 247.338 2.470 0 40 BEAB CCc1ccc(CC(=O)Nc2cnccn2)cc1 97379991 SSHKYGJSFOTHRU-UHFFFAOYSA-N 241.294 2.220 0 40 BEAB N#Cc1c(Cl)ccnc1Br 144929756 KQYPMSLGPZWRDU-UHFFFAOYSA-N 217.453 2.369 0 40 BEAB Cn1ncc(Br)c1C1CC1 149616913 IKXRKZYTKXYDNI-UHFFFAOYSA-N 201.067 2.060 0 40 BEAB CN(C)c1ccc(F)c([Si](C)(C)C)c1 169808296 KHIOGPGSKVQSOM-UHFFFAOYSA-N 211.356 2.437 0 40 BEAB C[C@H](Cc1ccccc1F)N[C@H]1CCC[C@H]1O 253428814 BJJOFAZSCNMHQT-DDTOSNHZSA-N 237.318 2.260 0 40 BEAB Cc1c[nH]nc1[C@@H]1CCCCN1C1CCOCC1 257290010 QBCOVGMWZUCPCX-ZDUSSCGKSA-N 249.358 2.424 0 40 BEAB CC[C@]1(C)CN(c2cc(C)ccn2)CCO1 276045294 ODRMLUGEGVKEBY-CYBMUJFWSA-N 220.316 2.395 0 40 BEAB C[C@@H](N)c1nc([C@@H]2CCCSCC2)no1 575415020 JKBMUVKUIXMOCV-HTQZYQBOSA-N 227.333 2.090 0 40 BEAB Fc1cc(C(F)(F)F)cnc1N1CCC1 1888850081 JCTIRLRBBKSLTM-UHFFFAOYSA-N 220.169 2.450 0 40 BEAB CC(=O)Nc1nc2nc3ccccc3nc2s1 292083 AEKYGYWDKPCBEC-UHFFFAOYSA-N 244.279 2.198 0 40 BEAB COc1cc(C)cc(OC)c1/C=C/C(=O)O 1651954 XCTXJHNBAGXPMI-SNAWJCMRSA-N 222.240 2.110 0 40 BEAB in-vitro CSc1nc2nc(C)cc(C(F)(F)F)n2n1 2732530 ZAEAHNOEUFQSOE-UHFFFAOYSA-N 248.233 2.173 0 40 BEAB O=C1c2ccccc2C[C@@H]2CCCCN12 3847865 RMDMKRJRSLNXRR-NSHDSACASA-N 201.269 2.237 0 40 BEAB biogenic CC(=O)OCC[n+]1c(C)sc2ccccc21 4691581 OOKAFXRHCBVBPZ-UHFFFAOYSA-N 236.316 2.060 0 40 BEAB NC[C@H](O)Cn1c2ccccc2c2ccccc21 4817270 VMSWVRRUBQSAGT-NSHDSACASA-N 240.306 2.114 0 40 BEAB Cc1[nH]c(=S)n(C[C@@H]2CCCO2)c1C 6498437 FZABHEWHHBCRSU-VIFPVBQESA-N 212.318 2.342 0 40 BEAB in-vitro Cc1ccc(C)c(CN2CCC[C@@H]2C(=O)O)c1 8302018 HTAXYGWZKFXSHH-CYBMUJFWSA-N 233.311 2.352 0 40 BEAB CNC(=O)c1ccccc1NC(=O)CC(C)(C)C 12925443 IQNMBUKGUFSPPK-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB COc1c(Br)cc(C)cc1C(=O)O 19910202 BYSSKBXKQGIRMW-UHFFFAOYSA-N 245.072 2.464 0 40 BEAB Cn1c([C@H](N)c2cccnc2)nc2ccccc21 19929946 DFJGRSQUVQALCE-CYBMUJFWSA-N 238.294 2.016 0 40 BEAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2 25768062 ZTPUEFLZJJXUPA-NKWVEPMBSA-N 222.313 2.226 0 40 BEAB CCCn1nccc1C(=O)NCc1ccc(C)o1 28222596 NOWCYRPQIBHHPN-UHFFFAOYSA-N 247.298 2.125 0 40 BEAB O=C1CCCC[C@@H]1C(=O)OCc1ccccc1 32151142 UZOGMVJYLSQKCU-LBPRGKRZSA-N 232.279 2.489 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21 32999929 VRHKNDXADWWYPA-KOLCDFICSA-N 201.269 2.232 0 40 BEAB CCOCCOCc1cccc(N)c1C 35649392 JTVIXLMAYVXQCP-UHFFFAOYSA-N 209.289 2.130 0 40 BEAB in-vitro CC[C@@H](C)C(=O)NCc1ccccc1COC 36394861 WQXVOPBPLHYTSD-LLVKDONJSA-N 235.327 2.495 0 40 BEAB CC[C@@H](NCC(OC)OC)c1ccccc1 37473008 PQSZTUYTKQNOMF-GFCCVEGCSA-N 223.316 2.346 0 40 BEAB in-vitro CC(C)c1n[nH]c(-c2ccc(N)cc2)n1 40175783 KOAAFESDFSFLLV-UHFFFAOYSA-N 202.261 2.177 0 40 BEAB c1cnn(CCNC2CCCCCC2)c1 42351747 YNQZAMRIOZIKSI-UHFFFAOYSA-N 207.321 2.196 0 40 BEAB CC(C)CO[C@H](C)C(=O)N1CCC[C@H](C)C1 42377264 HXAONISEVMJLBU-NWDGAFQWSA-N 227.348 2.306 0 40 BEAB O=C(O)c1cc2occ(Br)c2[nH]1 44137804 GRTOFBWMOOTRLU-UHFFFAOYSA-N 230.017 2.222 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC 49601603 ZMDCPOPRSSKMMN-FCKPVDNHSA-N 239.315 2.124 0 40 BEAB biogenic,in-vitro O=Cc1cnc(Cc2cccc(F)c2)nc1 54855262 LUALXSHYJKGWDO-UHFFFAOYSA-N 216.215 2.019 0 40 BEAB Cc1csc([C@@H](N)c2ccccc2)n1 58376829 TUHLDLXNTQTBCO-JTQLQIEISA-N 204.298 2.500 0 40 BEAB O=C(O)C(F)(F)c1cccc(F)c1F 69640308 AOCJHBQPRVTBHG-UHFFFAOYSA-N 208.110 2.141 0 40 BEAB C[C@H]1Cc2cc(C(=O)O)cc(Cl)c2O1 70453822 YZODWTGDUASAQW-YFKPBYRVSA-N 212.632 2.362 0 40 BEAB CCN(C)C(=O)CCC(=O)c1cccs1 71867704 VGOOFDBUQMFYCP-UHFFFAOYSA-N 225.313 2.189 0 40 BEAB COc1ccc(CCC(=O)Nc2cnoc2)cc1 75170862 PVGRKACMFFRPQL-UHFFFAOYSA-N 246.266 2.255 0 40 BEAB Cn1nc(N)c2cccc(C(F)(F)F)c21 75759709 NGPOCFQDJORDIL-UHFFFAOYSA-N 215.178 2.174 0 40 BEAB CCN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 76687034 YAMNFYBTMVKZCI-NSHDSACASA-N 242.363 2.386 0 40 BEAB in-vitro CO[C@]1(C)C[C@@H](N(C)c2ncccn2)C1(C)C 78968200 UDVJYLJFEYMEHN-ZWNOBZJWSA-N 235.331 2.116 0 40 BEAB CCCCS[C@@H](C)C(=O)N[C@H](C)CCCO 79095201 YWEXSDCGVKLIMP-MNOVXSKESA-N 247.404 2.185 0 40 BEAB C1CCC(CN2CCC3(CC2)OCCO3)C1 89818074 MFVDPGNSYAGGEJ-UHFFFAOYSA-N 225.332 2.016 0 40 BEAB O=C(c1ccccn1)N1CC[C@H]2CCCC[C@H]21 89878933 XGWAGNPPXBGYFK-DGCLKSJQSA-N 230.311 2.486 0 40 BEAB CC[C@H](C)Oc1ccc(-c2nnn[nH]2)cc1 95162538 SLWHXRPOKPFBSN-QMMMGPOBSA-N 218.260 2.044 0 40 BEAB CC1(C)CN(Cc2ccc3c(c2)COC3)CCO1 95454232 KWCZMUICHWVIHM-UHFFFAOYSA-N 247.338 2.328 0 40 BEAB Cc1cnn(-c2ccc(Br)cc2)n1 96007063 BTXPJEJHYCPZGD-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB CCOCCC(=O)NCC1(CC)CCCC1 96473345 CEJPIPWPXRDOEW-UHFFFAOYSA-N 227.348 2.500 0 40 BEAB CC(=O)Nc1cccc(Cn2cc(C)cn2)c1 98013758 XSIVWYFIRDSOGY-UHFFFAOYSA-N 229.283 2.198 0 40 BEAB Nc1ncc(Br)c2occc12 218703896 XAEZJLFQLVDWKF-UHFFFAOYSA-N 213.034 2.173 0 40 BEAB c1ccc(CN2CCN[C@@H]3CCC[C@H]32)cc1 218842826 OMWCMAVXTQXEHA-ZIAGYGMSSA-N 216.328 2.013 0 40 BEAB CC[C@@H](C)n1cccc1CNCCOC 223689734 XPBOOHOIDJNIOD-LLVKDONJSA-N 210.321 2.195 0 40 BEAB COc1cccc(C[C@@H](OC(C)C)C(=O)O)c1 225100791 MMMWVPATEZXLNV-GFCCVEGCSA-N 238.283 2.116 0 40 BEAB CC(C)c1nnc(COCc2ncc[nH]2)s1 530108003 JEPJFEOKTNCESG-UHFFFAOYSA-N 238.316 2.101 0 40 BEAB COC(=O)[C@@H](N)c1ccc(C)c(C(F)(F)F)c1 1536085348 NYNIWUMUPNAFTK-VIFPVBQESA-N 247.216 2.187 0 40 BEAB O=C(NCc1ccco1)c1ccsc1 157775 UONIOEADQIXQMX-UHFFFAOYSA-N 207.254 2.271 0 40 BEAB CC(=O)Oc1cccc([C@H]2OC[C@H](C)O2)c1 1679883 IPAVCRWWKPLHPU-UFBFGSQYSA-N 222.240 2.046 0 40 BEAB C[n+]1ccccc1CCC(=O)Nc1ccccc1 1749806 HAWQWYYLWPGXFZ-UHFFFAOYSA-O 241.314 2.082 0 40 BEAB CCn1nccc1/C=C1/SC(=S)N=C1O 2797888 DOXVWWZLKZDRFE-FNORWQNLSA-N 239.325 2.232 0 40 BEAB Cc1cccc(CNc2ncnc3[nH]ncc23)c1 3954018 UTHHQUPEUGZVEP-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB in-vitro Cc1ccc(NC2CCNCC2)cc1F 4312824 MGILUDSYWPVAIT-UHFFFAOYSA-N 208.280 2.298 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2N1Cc1ccccc1 5064106 MNPJKVXUZODWKO-CRWXNKLISA-N 227.307 2.444 0 40 BEAB Cc1cn2cccc([C@@H]3CCCN3C)c2n1 5285995 UWLKOENOIPXUJK-LBPRGKRZSA-N 215.300 2.409 0 40 BEAB CC(C)CCCCCO[C@H]1CCS(=O)(=O)C1 5293907 SJOZVXIUDXCNFB-LBPRGKRZSA-N 248.388 2.407 0 40 BEAB COc1cc(NC(=O)C2CC2)cc(OC)c1 5681895 KTABKWANHIFSJJ-UHFFFAOYSA-N 221.256 2.052 0 40 BEAB [O-][n+]1ccc2ccc(Br)cc2c1 12359100 QLRDQGRZLHHBPE-UHFFFAOYSA-N 224.057 2.236 0 40 BEAB CC(C)(C)c1noc([C@@H]2CCCCN2)n1 20561185 VLQGKBVCBAOFFQ-QMMMGPOBSA-N 209.293 2.182 0 40 BEAB COC(=O)CCCOc1ccccc1F 37286736 WJHGOMVMNRMMTJ-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB in-vitro COC(OC)(OC)c1ccc(Cl)cc1 39201574 TWUAATUKQFPYJN-UHFFFAOYSA-N 216.664 2.390 0 40 BEAB in-vitro Cc1nc2c(N3CCCCCC3)ncnc2[nH]1 41121362 JSKOKIKWUMSJFF-UHFFFAOYSA-N 231.303 2.042 0 40 BEAB NC[C@H](c1ccc(Cl)cc1)n1cccn1 42947249 VRLSQDSJKPKWDD-LLVKDONJSA-N 221.691 2.085 0 40 BEAB in-vitro CN(C)C1(CNC(=O)c2ccccc2)CCCC1 46445492 XGVJXROPWAXQFH-UHFFFAOYSA-N 246.354 2.291 0 40 BEAB Cc1nc2ccccc2nc1OC[C@H]1CCCN1 52099688 UNGAHOUVEPPFCN-LLVKDONJSA-N 243.310 2.069 0 40 BEAB Cc1cc(C(=O)Nc2cccc(F)c2)[nH]n1 54347296 BJUUHYCNJKKXBA-UHFFFAOYSA-N 219.219 2.110 0 40 BEAB c1cncc(CN[C@@H]2COc3ccccc32)c1 70070251 DRVIXWKXQJWGGM-CYBMUJFWSA-N 226.279 2.305 0 40 BEAB Cc1cccc(C(=O)N2C[C@H](CN)CC[C@@H]2C)c1 70180524 XCTOGZFARJHFEZ-STQMWFEESA-N 246.354 2.194 0 40 BEAB CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1 71404360 YPVPOSHTICPHKF-UHFFFAOYSA-N 242.658 2.465 0 40 BEAB COCc1ccc(Br)cc1C(=O)O 72209148 KRTQTXHZBPKFJX-UHFFFAOYSA-N 245.072 2.294 0 40 BEAB CCN1CCC[C@@H]1c1cccnc1OC 72211712 CSSGRURCIRLJAR-LLVKDONJSA-N 206.289 2.247 0 40 BEAB COc1ccc(Cc2ccc(C(=O)O)[nH]2)cc1 76030210 DMPRAZULPSYVLL-UHFFFAOYSA-N 231.251 2.312 0 40 BEAB Cc1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 82321001 AQEINNCCKCLQIZ-LBPRGKRZSA-N 232.327 2.275 0 40 BEAB O=C(Nc1ccc(F)cc1)c1cnco1 82324236 ISHVRKBNXUUQER-UHFFFAOYSA-N 206.176 2.066 0 40 BEAB CC(=O)c1cnc(Br)s1 82379236 XGHAHIKODQEJTA-UHFFFAOYSA-N 206.064 2.108 0 40 BEAB in-vitro CCC(CC)C(=O)NC[C@@H](CC(C)C)C(=O)O 89943067 QIEKVWBOSOSWQO-LLVKDONJSA-N 243.347 2.286 0 40 BEAB CC[C@H](C)C(=O)O[C@H]1CCCC[C@@H]1C(=O)OC 95456193 YVMWODHBBXEVIM-DCAQKATOSA-N 242.315 2.308 0 40 BEAB Cc1ccccc1-c1nc([C@@H](N)C(C)C)n[nH]1 95534765 DJTCDCZTZNLVCQ-NSHDSACASA-N 230.315 2.436 0 40 BEAB Cc1nn(C)c(C)c1OC(=O)c1cccc(F)c1 98013250 VWANKNOKGSXCKZ-UHFFFAOYSA-N 248.257 2.395 0 40 BEAB Cc1cc(F)cc2c1ncc1c(=O)o[nH]c12 100889336 XIXBXOPDTIOXMP-UHFFFAOYSA-N 218.187 2.117 0 40 BEAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 103892517 VUPXFCMAVVIOEV-GZRWUIRVSA-N 244.334 2.463 0 40 BEAB CC(C)NC(=O)COc1cccc2c1CCCC2 225617560 CMLGXEULTLRMKN-UHFFFAOYSA-N 247.338 2.469 0 40 BEAB Clc1cncnc1N[C@@H]1C[C@H]1C1CC1 306980153 FJRXTEXFZKISNR-IONNQARKSA-N 209.680 2.340 0 40 BEAB COc1ccnc(NC(=O)c2ccnc(C)c2)c1 562494832 BGHRWATZHSACSF-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CC(=O)OCC(=O)c1cccc(C(F)(F)F)c1 575359118 UJHKDMRDHQNVPU-UHFFFAOYSA-N 246.184 2.451 0 40 BEAB Cc1ccnc(N2N=C(CC3CC3)CC2=O)c1 899349445 CPWXIEANLZMUKW-UHFFFAOYSA-N 229.283 2.283 0 40 BEAB Nc1ncc(COc2ccccc2)s1 1467779 MKVDPXWTZPCISR-UHFFFAOYSA-N 206.270 2.304 0 40 BEAB CCOC(=O)Nc1ccc(C(C)=O)cc1 1665850 YAVJICIKBWUEAJ-UHFFFAOYSA-N 207.229 2.458 0 40 BEAB C1=C2CCCN[C@H]2[C@@H]2C[C@H]1[C@@H]1CCCCN1C2 2565952 SKOLRLSBMUGVOY-LJISPDSOSA-N 232.371 2.169 0 40 BEAB CCOC(=O)c1cc(C)nn1C(C)(C)C 2575180 KTNRGKIYKQZOOM-UHFFFAOYSA-N 210.277 2.123 0 40 BEAB CCC[C@H](C)NC(=O)COc1ccccc1 2831835 ADJRZWSPFYESOJ-NSHDSACASA-N 221.300 2.370 0 40 BEAB O=C(/C=C/c1ccco1)NC1CCCC1 3070590 FCCRHMLMVXSFJR-BQYQJAHWSA-N 205.257 2.352 0 40 BEAB C[C@@H](Nc1nc2ccccc2s1)C(=O)O 4218365 UCKLRJLHKVCNAU-ZCFIWIBFSA-N 222.269 2.181 0 40 BEAB in-vitro Cc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1 4219186 LMRNIKGMVCSIOU-UHFFFAOYSA-N 246.262 2.427 0 40 BEAB Cc1nnc2sc(/C=C/c3ccco3)nn12 4487535 KMRRVOCAQVOXAW-SNAWJCMRSA-N 232.268 2.258 0 40 BEAB CCCOCCOc1ccc(N)cc1F 14630646 IUDGUKNKZFHMQB-UHFFFAOYSA-N 213.252 2.213 0 40 BEAB CC(=O)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19016585 TXLSBSINTPDWGT-NSHDSACASA-N 249.314 2.063 0 40 BEAB COc1ccc([C@@H]2CSCCN2)c(F)c1 19702793 HITWLKVEPQKCHO-NSHDSACASA-N 227.304 2.212 0 40 BEAB O=C(O)C(=O)Nc1ccc(Cl)cc1Cl 20185174 OXPLSAGSBKFGEF-UHFFFAOYSA-N 234.038 2.017 0 40 BEAB COc1ccc([C@@H](C)CC(=O)O)c(OC)c1 20259972 MSGSKCGRIYQKNH-QMMMGPOBSA-N 224.256 2.282 0 40 BEAB Cc1nn(C)cc1NCc1ccccc1 20350349 FTYCWLGIWILTDJ-UHFFFAOYSA-N 201.273 2.341 0 40 BEAB O[C@H](CNCc1ccccc1)CC(F)(F)F 26897936 FIPYXVWKZLCGAE-JTQLQIEISA-N 233.233 2.090 0 40 BEAB Cn1c(Br)nc2c(Cl)nccc21 34002747 RDJPHGBKTFBGOC-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CC[C@H](NC)c1ccc(OC)cc1OC 35488773 KOPJWIALZNSWNN-NSHDSACASA-N 209.289 2.374 0 40 BEAB Cn1c(C(=O)Nc2ccon2)cc2occc21 36354285 MNCZQUUNZYHHII-UHFFFAOYSA-N 231.211 2.012 0 40 BEAB Cc1ccc(C(=O)Nc2cccnc2)cn1 37143490 RRSBXXZXCYFJNN-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB OC[C@H](NC1CCCC1)c1ccccc1 38122858 QMCURKWAYUNBAV-ZDUSSCGKSA-N 205.301 2.252 0 40 BEAB CCOc1ccccc1[C@H](CN)N1CCCC1 38827625 UULLOOXUMWEQLK-ZDUSSCGKSA-N 234.343 2.181 0 40 BEAB CCN(CCN)Cc1cccc(Cl)c1 39318904 CEGPYWJJEVYOQS-UHFFFAOYSA-N 212.724 2.121 0 40 BEAB C/C=C/COC(=O)c1cccnc1OCC 40023634 YPGFYLPEFMJTLA-HWKANZROSA-N 221.256 2.213 0 40 BEAB C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CC1 40040038 QJQWXCIPMQAMQT-MDFVCYEDSA-N 249.354 2.297 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccoc2)C1 40480552 ZEQJSJVYKOXNKP-AOOOYVTPSA-N 207.273 2.398 0 40 BEAB C[C@@H]1C[C@H](Sc2nccn2C2CC2)C(=O)O1 40489848 UQKIMSPKGOXMOV-APPZFPTMSA-N 238.312 2.014 0 40 BEAB Cc1ccccc1CSCC(=O)N(C)C 41364786 MNUYPTBZHYZJLF-UHFFFAOYSA-N 223.341 2.316 0 40 BEAB CCC[C@H](C(=O)N1CCOCC1)c1ccccc1 46869896 RPCVPNFFJLOSMC-AWEZNQCLSA-N 247.338 2.429 0 40 BEAB CCCCNC(=O)N1CCn2cccc2[C@@H]1C 48644359 JQEUQNNPFIPJJG-NSHDSACASA-N 235.331 2.374 0 40 BEAB Cc1cccc(C(=O)NCc2ccnc(C)n2)c1 48826462 MYYWVLBNEAADJA-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB CN(CCNC(=O)C(C)(C)C)c1ccccc1 53206957 NGEKJLNFZXAIKQ-UHFFFAOYSA-N 234.343 2.285 0 40 BEAB CC[C@H](C)C(=O)NC1(C(=O)OC)CCCCC1 58330939 BVBSUMOBAMCISY-JTQLQIEISA-N 241.331 2.025 0 40 BEAB N#CNC(=N)Nc1ccc(Cl)cc1Cl 58836477 AUJVBMZJGUIWHG-UHFFFAOYSA-N 229.070 2.411 0 40 BEAB CCOc1ccc(CNCc2ccnn2C)cc1 70141152 YATHONVIYNPILP-UHFFFAOYSA-N 245.326 2.109 0 40 BEAB COc1ncc([C@@H]2CCCN2C(C)=O)cc1C 72217714 RBKFMGPEXBEPEZ-LBPRGKRZSA-N 234.299 2.082 0 40 BEAB CCN(C#N)c1nccc(-c2ccccc2)n1 72467791 QUGAKLOBGNQSBZ-UHFFFAOYSA-N 224.267 2.451 0 40 BEAB CC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 82160673 VXPCTIGKKLFXIH-JTQLQIEISA-N 227.304 2.365 0 40 BEAB in-vitro CC1(C)CN(CCC(=O)O)c2ccccc21 82191625 RJLYSOWDKRYTEA-UHFFFAOYSA-N 219.284 2.259 0 40 BEAB O=C(O)CCN1CCC[C@@H]1Cc1ccccc1 89830318 MUHMQISBVLNJAA-CYBMUJFWSA-N 233.311 2.168 0 40 BEAB O=C(c1ccccn1)N1CCC[C@@H]2CCC[C@@H]21 89878936 CUHFTDHMAGGXSP-AAEUAGOBSA-N 230.311 2.486 0 40 BEAB C[C@H]1SCCN(C(=O)C2CCC2)[C@@H]1C 89920008 SSPODGTZOLVENR-RKDXNWHRSA-N 213.346 2.139 0 40 BEAB CNC(=O)COc1cccc(OC2CCCC2)c1 95939563 XFKKKCPRCPJFFM-UHFFFAOYSA-N 249.310 2.133 0 40 BEAB O=C(C1=CCCC1)N1CCO[C@H]2CCCC[C@H]21 98019369 ZOWLLORORZDOLK-OLZOCXBDSA-N 235.327 2.267 0 40 BEAB O=C1COc2cc(F)c(Br)cc21 98095670 DMQWPYUQSULBST-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB in-vitro CN1CCC[C@@H](CN(C)Cc2ccccc2)C1 104094821 OUOCECDKBRCIDM-OAHLLOKOSA-N 232.371 2.460 0 40 BEAB CSCC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 107064936 JCOXCATWCBUZFZ-DVVUODLYSA-N 244.356 2.096 0 40 BEAB Fc1ccc(I)s1 145060794 QKBQPGIVOIYVJF-UHFFFAOYSA-N 228.029 2.492 0 40 BEAB Clc1ncc2c(Br)ccn2n1 167405450 AXXQRRWVSIJWNS-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB O[C@@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 195575397 BWPFKUINQLEOGW-DTWKUNHWSA-N 244.241 2.008 0 40 BEAB CC(=O)c1c[nH]c2c(F)ccc(F)c2c1=O 225815804 FQGKFDOCCOOLEG-UHFFFAOYSA-N 223.178 2.009 0 40 BEAB CCCCCN1C[C@@H]2C[C@H](CN[C@@H]2C)C1 242575085 NRFXECJVXVXGFW-UPJWGTAASA-N 210.365 2.106 0 40 BEAB CC[C@@H](C)n1nccc1CNC[C@H]1CCCO1 256051100 HSCYJSXBRXJCHC-DGCLKSJQSA-N 237.347 2.123 0 40 BEAB CCn1cc(CNc2cc(C)nn2CC)c(C)n1 256052180 MFPBNSJLUKVUDS-UHFFFAOYSA-N 247.346 2.348 0 40 BEAB CCOCCCNCc1ccnn1[C@H](C)CC 256054957 YMLGKAGLRWSHEF-GFCCVEGCSA-N 239.363 2.370 0 40 BEAB c1ccc([C@H]2CN(c3cccnc3)CCO2)nc1 257326016 WVLCGCOYIWKQGR-CQSZACIVSA-N 241.294 2.055 0 40 BEAB CC(C)(C)OC(=O)N1CC2=C(C[C@H](N)CC2)C1 261507442 IQMHYPCTPALKTD-LLVKDONJSA-N 238.331 2.045 0 40 BEAB CSc1nccc(N2C[C@H]3CCC[C@H]3C2)n1 1889070477 YVAMKXDTUWEFJD-AOOOYVTPSA-N 235.356 2.435 0 40 BEAB O=C1CCC(=O)N1c1ccc2ccccc2c1 55192 YYWPIEKBEFDTMQ-UHFFFAOYSA-N 225.247 2.493 0 40 BEAB c1nc2sc3c(c2c2nnnn12)CCCCC3 501892 DZIUSIMNPXGGQK-UHFFFAOYSA-N 245.311 2.003 0 40 BEAB COc1ccc([C@H]2NC(C)(C)CO2)cc1 1690878 ZZDYHBPPVMOWFG-NSHDSACASA-N 207.273 2.092 0 40 BEAB O=C1CCC[C@H]1CNCc1ccccc1 1717578 KWRGIFDKCLUXGK-LBPRGKRZSA-N 203.285 2.145 0 40 BEAB C[C@@H]1CC[C@H](O)[C@]2(CO)CC[C@H]3[C@@H]([C@H]12)C3(C)C 4104704 OQKJKCCRSOBXLL-DSUOEAQKSA-N 238.371 2.438 0 40 BEAB biogenic,in-vitro CC[C@@H]1CCCCN1C(=O)CCn1ccnc1 6084783 LVYIHIWNCGZDGT-GFCCVEGCSA-N 235.331 2.064 0 40 BEAB Nn1c(S)nnc1-c1cccc2ccccc12 8732349 PMNFDGDQSCVFRP-UHFFFAOYSA-N 242.307 2.101 0 40 BEAB O=C(NCCc1c[nH]c2ccccc12)NC1CC1 10278160 GUNACQCCHULEIV-UHFFFAOYSA-N 243.310 2.172 0 40 BEAB C[C@@H](C(=O)O)n1cc(Cl)c(C2CC2)n1 12357644 MYKJRLCUEXNZHW-YFKPBYRVSA-N 214.652 2.060 0 40 BEAB CNC(=O)c1cc2cc(Cl)ccc2[nH]1 15205557 BPFZXGAWSIZYJJ-UHFFFAOYSA-N 208.648 2.181 0 40 BEAB CC(=O)[C@H](C)Sc1nnc(-c2ccc[nH]2)o1 18366559 RLLVHNPZLFZCTN-ZETCQYMHSA-N 237.284 2.134 0 40 BEAB Nc1ccccc1-c1nc(-c2ccccn2)no1 20159537 JKPMWUHRDUMXKK-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB CC[C@@H](C)c1ccc(NC(=O)C(=O)O)cc1 20204639 LJTGMRFXTVRJOY-MRVPVSSYSA-N 221.256 2.223 0 40 BEAB CCCCn1cc(Br)c(N)n1 20313643 DSBZWNSFWWYQSP-UHFFFAOYSA-N 218.098 2.028 0 40 BEAB CCN(CC)CCN1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 22591839 CICDOJLASYRIJX-NMWPEEMBSA-N 234.387 2.082 0 40 BEAB CN1CCC(c2nc3ccccc3[nH]2)CC1 34160215 XPTCNYMFBHNSHR-UHFFFAOYSA-N 215.300 2.372 0 40 BEAB O=C(Nc1cn[nH]c1)C1(c2ccc(F)cc2)CC1 35237982 RDMTXLYQKUKHEI-UHFFFAOYSA-N 245.257 2.219 0 40 BEAB Cc1nc(SC(F)F)sc1CC(=O)O 36906859 KIOGQJWHHOCQGP-UHFFFAOYSA-N 239.268 2.393 0 40 BEAB in-vitro Cc1cc(C)c(C(=O)O)c(OCC(F)(F)F)n1 38010292 MXZWQMNOYMDFCD-UHFFFAOYSA-N 249.188 2.338 0 40 BEAB Cc1cc(NC(=O)Cc2ccccc2F)n(C)n1 40072579 KZPJMFOTPJUUMZ-UHFFFAOYSA-N 247.273 2.049 0 40 BEAB CC(C)CO[C@@H](C)C(=O)Nc1ccccn1 42395938 CPLHNOOCTAUOEZ-JTQLQIEISA-N 222.288 2.081 0 40 BEAB O=C(Nc1cc[nH]n1)c1cc2ccccc2o1 42413965 YMGLUQLKOCGZMX-UHFFFAOYSA-N 227.223 2.408 0 40 BEAB O=C(O)/C=C/c1cc(OC(F)(F)F)ccc1O 44201123 LAXJFDYQBNQLPW-DAFODLJHSA-N 248.156 2.389 0 40 BEAB NCCc1cc(F)cc(C(F)(F)F)c1 44248586 QLDSXXKKKMQRKB-UHFFFAOYSA-N 207.170 2.346 0 40 BEAB Cc1cc([C@@H]2CCCN2C(=O)NCC2CC2)no1 45458734 LNCBUOIDCXCCMO-LBPRGKRZSA-N 249.314 2.240 0 40 BEAB COC(=O)[C@H](C)Sc1nc2ccccc2o1 48101677 VPHVHOAUARDNCV-ZETCQYMHSA-N 237.280 2.481 0 40 BEAB COc1ccc(CC(=O)N[C@@H](C)C(C)C)cc1 57159993 BMNCFABSHOFPQJ-NSHDSACASA-N 235.327 2.398 0 40 BEAB Cc1cccc2c1NC(C)(C)N(C)C2=O 57291858 SGGKAOPTBHYWBH-UHFFFAOYSA-N 204.273 2.229 0 40 BEAB CC(C)(C)c1csc([C@@H]2CNCCO2)n1 58035949 DZECWAJGOYTBDU-QMMMGPOBSA-N 226.345 2.102 0 40 BEAB in-vitro CCc1noc(C)c1C(=O)N(CC)CC 58306142 RCKZIVAVGLBEMG-UHFFFAOYSA-N 210.277 2.027 0 40 BEAB CC[C@@H](C)C(=O)OCc1nnsc1Cl 58553024 HMYDQPPWDBXALI-RXMQYKEDSA-N 234.708 2.281 0 40 BEAB NC[C@@]1(CO)C[C@H]1c1ccccc1C(F)(F)F 62713603 GFGAEVYBDILOJL-WDEREUQCSA-N 245.244 2.130 0 40 BEAB c1cc(N2CCCCC2)ncc1[C@@H]1CCCN1 72216024 GOHDQMYWCRPNLN-ZDUSSCGKSA-N 231.343 2.496 0 40 BEAB Cc1cc(N)ncc1[C@@H](O)c1ccccc1 72223084 IGJCRGYQFNMHCU-ZDUSSCGKSA-N 214.268 2.054 0 40 BEAB CC1CCN(c2cncc([C@H]3CCCN3)n2)CC1 72386515 YHFWHEYQAPZVJG-GFCCVEGCSA-N 246.358 2.137 0 40 BEAB CO[C@H](C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 78974530 FOHTXAJZYGDIFL-SDDRHHMPSA-N 235.327 2.330 0 40 BEAB COCCCCC(=O)Nc1cccc(C)c1O 79014443 ZVRQXXYTBAJEBR-UHFFFAOYSA-N 237.299 2.456 0 40 BEAB Cc1ccoc1C(=O)N(C)Cc1ccc[nH]1 84251053 WMESGNKFZYGBMA-UHFFFAOYSA-N 218.256 2.188 0 40 BEAB c1cnc(-c2noc(-c3ccsc3)n2)cn1 84511694 HPTGESIDHUYIOC-UHFFFAOYSA-N 230.252 2.255 0 40 BEAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)c(N(C)C)c1 84793846 LHEBBWJRBSZEOZ-DGCLKSJQSA-N 246.354 2.333 0 40 BEAB Cc1ccc(C(N)=O)cc1OCC(C)C 85262548 SBMCVUOCLPZDAA-UHFFFAOYSA-N 207.273 2.129 0 40 BEAB Cc1ccc(-c2cnn([C@H](C)CN)c2)cc1 85391501 QBYXJILDRNGOLP-LLVKDONJSA-N 215.300 2.378 0 40 BEAB C[C@@H]1CNCc2cc(C(F)(F)F)cnc21 91368646 BRPSXMKJOWCZIF-ZCFIWIBFSA-N 216.206 2.307 0 40 BEAB CN(C)[C@H](CNc1ccncc1Cl)C1CC1 91481691 YAYAJATUTUKEBX-GFCCVEGCSA-N 239.750 2.487 0 40 BEAB COC(=O)[C@@H](F)[C@H](OC)Sc1ccccc1 95611768 MZZNVNOLHYGOBL-MWLCHTKSSA-N 244.287 2.262 0 40 BEAB CC(C)C[C@H](NCc1nncn1C)C(C)(C)C 95987502 PVUJPZFIAFPOHL-NSHDSACASA-N 238.379 2.366 0 40 BEAB Cc1ccc(C[C@H](C)NC(=O)NC2CC2)s1 96415125 NHFTXLAYEQKUJF-QMMMGPOBSA-N 238.356 2.449 0 40 BEAB C/C(=C/c1cncs1)c1cnccn1 97098194 NQIAGUVXFNBSFJ-YWEYNIOJSA-N 203.270 2.494 0 40 BEAB CC[C@@H]1CN(Cc2ccncc2)CCS1 98015874 RXIUVBWRBOXVNB-GFCCVEGCSA-N 222.357 2.409 0 40 BEAB c1cc2c(s1)CCN(C1CCOCC1)C2 124301258 UFFDYLGQFWLALN-UHFFFAOYSA-N 223.341 2.285 0 40 BEAB NN[C@H]1CCSc2ccc(Cl)cc21 199546741 OZOQJHIGKZWCLT-QMMMGPOBSA-N 214.721 2.340 0 40 BEAB Cc1c(-c2ccc(F)cc2)nc(N)n1C 199560707 JFBPPBTZSQPUPT-UHFFFAOYSA-N 205.236 2.117 0 40 BEAB CON(C)C(=O)c1ccc(Cl)nc1C(C)C 225734330 CLISQVFNELHSRD-UHFFFAOYSA-N 242.706 2.492 0 40 BEAB CC(C)Cc1ccc(CNC2CC2)n1C 226020215 PDSVQPZECUTTGN-UHFFFAOYSA-N 206.333 2.476 0 40 BEAB C[C@H]1NCc2cc(Br)cnc21 228965710 YNDLMIJKIYOBET-RXMQYKEDSA-N 213.078 2.008 0 40 BEAB C[C@@H](NC(=O)CC1=CCCCC1)c1cn[nH]c1 229960255 MDEYMFHDXHFTQH-SNVBAGLBSA-N 233.315 2.477 0 40 BEAB CO[C@H]1c2ccccc2O[C@H]2OCC[C@H]21 257335426 YKCAAHHUZZERAP-ZMLRMANQSA-N 206.241 2.129 0 40 BEAB CCCn1cc(Cl)c(COCC)n1 408715396 LZVTUFRZVUSHCP-UHFFFAOYSA-N 202.685 2.483 0 40 BEAB CN(Cc1ccno1)C[C@@H]1CC=CCC1 561783947 HPSJZKDPVOVBOY-LLVKDONJSA-N 206.289 2.463 0 40 BEAB O=C(Cn1cccc1)NC1CCC(F)(F)CC1 575608575 URUFXWMAOKVDSW-UHFFFAOYSA-N 242.269 2.182 0 40 BEAB CC(C)c1nc2ccccc2n1C1CNC1 1775975799 OFDCKQLVNWJAGM-UHFFFAOYSA-N 215.300 2.304 0 40 BEAB c1ccc(-c2cnnc(N3CCCC3)n2)cc1 187662 MINIKQRXIPEKKD-UHFFFAOYSA-N 226.283 2.139 0 40 BEAB NC(=O)CSc1nc2cc(Cl)ccc2o1 209562 KUDPLUQTOMECQT-UHFFFAOYSA-N 242.687 2.059 0 40 BEAB COC(=O)c1cc(-c2ccc(N(C)C)cc2)no1 376589 ORWDZGIBELNFNW-UHFFFAOYSA-N 246.266 2.194 0 40 BEAB Nc1cc(C(F)(F)F)nc(C(F)(F)F)n1 1685894 VVDQDNLSLIIHSI-UHFFFAOYSA-N 231.099 2.096 0 40 BEAB CC(C)C[C@H](N)CC(=O)OC(C)(C)C 2572716 WBOPVTYXLFEVGP-VIFPVBQESA-N 201.310 2.092 0 40 BEAB COCCn1c(S)c(C=O)c2ccccc21 5334993 NVWYWEDFVMTWOR-UHFFFAOYSA-N 235.308 2.389 0 40 BEAB Nc1cc(C(=O)c2ccccc2)ccc1O 5338314 QPPJJQOUDGSRPN-UHFFFAOYSA-N 213.236 2.205 0 40 BEAB Cc1cccc([C@@H](O)c2ccccn2)c1O 5579646 XXCYBTOXLYUXNZ-CYBMUJFWSA-N 215.252 2.177 0 40 BEAB Oc1ccc(C(=S)NCc2ccco2)cc1 9927953 FSJCTOPVTDBROV-UHFFFAOYSA-N 233.292 2.451 0 40 BEAB C[C@H](O)CNC(=O)Nc1cccc2ccccc12 11004477 QFZNMLQVZUJASV-JTQLQIEISA-N 244.294 2.342 0 40 BEAB COc1cccc(N/C(C)=C2/CCOC2=O)c1 12478392 YDJSYIKTEDQCHR-XFXZXTDPSA-N 233.267 2.328 0 40 BEAB O=C(O)Cc1nc(-c2cccc(Cl)c2)no1 20269096 QCFCLKNLNJSWMD-UHFFFAOYSA-N 238.630 2.017 0 40 BEAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1 20269744 BJKHBBWEOSYKIM-AWEZNQCLSA-N 246.354 2.035 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@@H](C)N)c(OC)c1 20392318 RRLUYITYNNJRHP-JFUSQASVSA-N 221.300 2.155 0 40 BEAB O=C(O)c1ccc(NC(=O)c2ccccc2)nc1 28825517 PVOMYLXLUJVVNB-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB COc1ccccc1CNC(=O)NCC(C)C 30985658 VVOBOZXYAZOHDN-UHFFFAOYSA-N 236.315 2.150 0 40 BEAB CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O 32628145 BIYXUNJTZYRILK-NSHDSACASA-N 231.292 2.155 0 40 BEAB biogenic,in-vitro C[C@H](Sc1ccccn1)C(=O)N1CCCC1 32666598 IBBDGDGBFMRYJA-JTQLQIEISA-N 236.340 2.185 0 40 BEAB N[C@H]1CCC[C@@H](C[C@H]2CCC[C@@H](N)C2)C1 35567096 ZZYZUFNSKAIYCJ-MPZDIEGVSA-N 210.365 2.412 0 40 BEAB COc1ccc(Cc2csc(N)n2)cc1 37066122 QAAAWBARJAZCRM-UHFFFAOYSA-N 220.297 2.325 0 40 BEAB in-vitro Cc1c(Cl)nc2ccnn2c1Cl 39214638 MHHPDYKCYDVOBD-UHFFFAOYSA-N 202.044 2.345 0 40 BEAB COc1ccc2c(c1)CCC[C@@H]2C(=O)O 39290844 WDLWRQYLECGUNU-NSHDSACASA-N 206.241 2.200 0 40 BEAB in-vitro CC(C)Oc1ccc(Cl)c(C(N)=S)n1 39947670 AESIUGURSGVQFP-UHFFFAOYSA-N 230.720 2.156 0 40 BEAB COCC(=O)N[C@H](C)Cc1ccc(Cl)cc1 40107887 AVTLPRITMAYAHC-SECBINFHSA-N 241.718 2.034 0 40 BEAB CON(C)C(=O)c1csc2c1CCCC2 40460775 UGZSYHICIABAND-UHFFFAOYSA-N 225.313 2.260 0 40 BEAB Cc1csc(S[C@H]2C[C@H](C)OC2=O)n1 40462984 WESVSHWUCCCNND-BQBZGAKWSA-N 229.326 2.248 0 40 BEAB O=c1[nH]c(NC2CCCC2)nc2ccccc12 41603759 BMWLPLBIONSVCO-UHFFFAOYSA-N 229.283 2.278 0 40 BEAB CCCCCC[C@H](O)CCC(=O)OC 43373005 RFFUMWZSHOBFBG-JTQLQIEISA-N 202.294 2.271 0 40 BEAB Cn1cc(C(=O)O)c(-c2ccccc2)c1 49467141 JOGNYKUEAKNOTH-UHFFFAOYSA-N 201.225 2.390 0 40 BEAB O[C@H]1CCCC[C@H]1N1Cc2ccccc2C1 50911826 SYBQYINEYVTRKR-KGLIPLIRSA-N 217.312 2.306 0 40 BEAB Cc1ccc2[nH]c(-c3cccnc3)nc2n1 71257698 JEBFETUFCIHBDB-UHFFFAOYSA-N 210.240 2.328 0 40 BEAB NCc1cn(Cc2cccc(Cl)c2)cn1 71524057 KGKUELRIYFRRQD-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)s1 71908354 URQYQPVLVVYMDY-VIFPVBQESA-N 245.369 2.153 0 40 BEAB CCCN(C)C(=O)N[C@@H](C)COCC(C)C 71924650 OKQLNUPRSBZSRG-NSHDSACASA-N 230.352 2.099 0 40 BEAB CC(C)(C)OC(=O)NCC(=O)C(C)(C)C 72206830 JKTMMPWAUNWHNM-UHFFFAOYSA-N 215.293 2.126 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccncc1 72211058 BSOLJXDNRAQYHD-LBPRGKRZSA-N 204.273 2.155 0 40 BEAB O=C(N[C@H]1CC[C@H](CO)C1)OCc1ccccc1 72265900 FDKXYQLCKKQFKQ-STQMWFEESA-N 249.310 2.074 0 40 BEAB Cc1ccc(OCc2ncnn2C)c(C)c1 72297341 LIJYZUNKNIMIAB-UHFFFAOYSA-N 217.272 2.011 0 40 BEAB Cc1ccnc([C@H]2CCCN2C(=O)C(C)(C)C)n1 72350794 OSUUGWPGIKIPEH-LLVKDONJSA-N 247.342 2.495 0 40 BEAB CO[C@@H](C)CCOC(=O)c1cccc2cn[nH]c12 78949289 SRDZNBCCWJRFFF-VIFPVBQESA-N 248.282 2.145 0 40 BEAB Cc1cc(C(=N)N)ccc1Br 84193964 QTJRXRLKEVFNPH-UHFFFAOYSA-N 213.078 2.042 0 40 BEAB in-vitro Cc1ccccc1CN(C)C(=O)[C@H]1CCC[C@H]1N 85358708 SVSCFRAVBPZHFQ-UONOGXRCSA-N 246.354 2.081 0 40 BEAB COC(=O)C[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 85398797 SYNGPWGKVVAZBZ-QWHCGFSZSA-N 224.300 2.335 0 40 BEAB CC(C)(C)OC(=O)n1[nH]c(=O)c2ccccc21 89195651 LNOBDLVGYPMKJM-UHFFFAOYSA-N 234.255 2.113 0 40 BEAB CN(c1nc(C2CC2)ns1)C1CCC1 89365665 IJIIIUXBDWPWIS-UHFFFAOYSA-N 209.318 2.404 0 40 BEAB Cc1cccc(CNC2(CCO)CCOCC2)c1 89669518 FCVLGBDRAKYJAQ-UHFFFAOYSA-N 249.354 2.016 0 40 BEAB C[C@@H](Sc1nc2ncccn2n1)C(F)(F)F 95427333 QFSONQJCVSCJFO-RXMQYKEDSA-N 248.233 2.167 0 40 BEAB COCC[C@H](C)Nc1cccc(-c2nc[nH]n2)c1 95991624 SMROHHNZPAHZMV-JTQLQIEISA-N 246.314 2.309 0 40 BEAB C[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1 96062529 JQCDZMAPDHVLLS-GARJFASQSA-N 238.356 2.142 0 40 BEAB CO[C@H]1CCC[C@H]1OC(=O)c1c(C)noc1C 97094952 AMQCBVRGVVVTRK-VHSXEESVSA-N 239.271 2.016 0 40 BEAB Cc1ccc(CN)cc1I 98096522 CYAHWTIHSCPOGT-UHFFFAOYSA-N 247.079 2.058 0 40 BEAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102099226 WPKAHZWKGMWFDM-NQBHXWOUSA-N 230.311 2.134 0 40 BEAB CCCC[C@](F)(C(=N)OCC)C(=O)OCC 104051892 GYINKEPJDJUXAQ-NSHDSACASA-N 233.283 2.462 0 40 BEAB Cc1occc1S[C@@H](C(N)=O)C(C)C 131405711 YFAYYNNPTKHDEQ-SECBINFHSA-N 213.302 2.190 0 40 BEAB CCOC(=O)c1ccc(/C=C/c2ccncn2)o1 157311644 VTXLFRAZMRGEDI-ONEGZZNKSA-N 244.250 2.417 0 40 BEAB C[C@@H](C[S@](C)=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 195565679 POBCSSLFHBCOJT-KYSMWIMPSA-N 231.405 2.168 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H]1SC(=N)NN=C12 221827307 QKTKJUURJFAZSY-QXHCQDJKSA-N 223.345 2.438 0 40 BEAB CCOc1ccccc1N(CC)[C@@H](C)C(=O)O 224998277 GAMBNLYMXYQROM-JTQLQIEISA-N 237.299 2.385 0 40 BEAB CCCO[C@H](Cc1ccccc1C)C(=O)O 225016711 RQCNHKYUNVRVEZ-GFCCVEGCSA-N 222.284 2.417 0 40 BEAB CCc1ccc(C=O)n1C[C@H]1CCCO1 225302090 AXGTVHHPFYFKGM-GFCCVEGCSA-N 207.273 2.042 0 40 BEAB Cc1ncsc1CN1CCC[C@H]([C@H](C)O)C1 230307994 GGMHEAGKULWFBM-QWRGUYRKSA-N 240.372 2.044 0 40 BEAB CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@H]12 245229383 WMCIENSNBKBGKV-FDRIWYBQSA-N 247.338 2.230 0 40 BEAB Cc1c(NCc2cnn(CC(C)C)c2)cnn1C 256049582 ANSFBCNCIPIBPW-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB O=C1OCOc2ccc(F)c(Br)c21 258828017 DUXPGUPLWHSYQV-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB C[C@@H]1CN(c2ncc(C(=O)O)s2)[C@H](C)[C@@H]1C 399551424 BONFVHCNCNLXEH-BWZBUEFSSA-N 240.328 2.322 0 40 BEAB CC(C)COCc1ccnn1CC(F)F 408716867 SBBAYLOCKVJKCB-UHFFFAOYSA-N 218.247 2.321 0 40 BEAB C[C@@H](Cn1cc(Cl)c(C(F)F)n1)C(=O)O 408717369 YYJLLQNDQJHDIA-BYPYZUCNSA-N 238.621 2.195 0 40 BEAB O=C(O)c1cc(Br)nc2cc[nH]c12 575441195 ZQJSUNPVYASADH-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB c1cc2c(N3C4CCC3CC4)ncnc2cn1 1159077970 MQHSNAJNFAKYBC-UHFFFAOYSA-N 226.283 2.156 0 40 BEAB O=C(CC1CCC1)NCc1ccccc1 1446455 ZRHCKYJQPLQLQR-UHFFFAOYSA-N 203.285 2.493 0 40 BEAB O=C(O)CNc1cccc2ccccc12 1509523 SIVZFLKJXSKCGT-UHFFFAOYSA-N 201.225 2.336 0 40 BEAB CCCN(CCC)c1cc(=O)nc2ccccn12 1585281 FYWXBKYTWDQTQV-UHFFFAOYSA-N 245.326 2.321 0 40 BEAB CCCC[C@@](CC)(SCC(=O)O)C(=O)O 1752272 YIVCCDCLEJXPLM-SNVBAGLBSA-N 234.317 2.228 0 40 BEAB CC[C@@H](C)NC(=O)c1cc2ccccc2oc1=O 3135976 RWKZGPRCOQDPKD-SECBINFHSA-N 245.278 2.321 0 40 BEAB CCOC(=O)Nc1c(C(N)=O)oc2ccccc12 4852059 HGGMPCYHYQULKW-UHFFFAOYSA-N 248.238 2.100 0 40 BEAB CC[C@@H]1C(OC)=C[C@@]2(CC)C[C@]1(OC)OC2=O 5551801 WYERYMLJHAVTKA-ICCXJUOJSA-N 240.299 2.243 0 40 BEAB Cn1c(=S)c2[nH]c(=S)[nH]c2n(C)c1=S 6072249 IROKMJWKVYMYLE-UHFFFAOYSA-N 244.370 2.361 0 40 BEAB N[C@@H](CC(=O)O)c1c(Cl)cccc1Cl 8022269 FJJTUPBXHKDPTC-ZETCQYMHSA-N 234.082 2.468 0 40 BEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]2C)c1 9908498 CSXKFQVJPQVANQ-SCZZXKLOSA-N 235.283 2.298 0 40 BEAB CC(=O)c1ccc(NC(=O)NC2CC2)cc1 16970248 BPNJCCGZEFCFTF-UHFFFAOYSA-N 218.256 2.173 0 40 BEAB in-vitro COc1ccc2c3c(/c(=N/N)oc2c1)CCCC3 20426502 WEVCLIUCMQPGQT-PEZBUJJGSA-N 244.294 2.095 0 40 BEAB CCCC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 21793267 BDGXHJLEGDJQRE-SNVBAGLBSA-N 246.310 2.408 0 40 BEAB NC[C@@H](c1c[nH]c2ncccc12)C(F)(F)F 22170829 FCUGDENPKOENIB-QMMMGPOBSA-N 229.205 2.168 0 40 BEAB CCCc1c(-c2cccnc2)noc1N 26512683 SLEWPWUPTBVCKC-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB CCC(CC)C(=O)Nc1c(C)nn(C)c1C 27927339 LTTYXKSNPGKLCW-UHFFFAOYSA-N 223.320 2.412 0 40 BEAB Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)on1 28575875 PCJZXKDHLBYRDP-IUCAKERBSA-N 222.288 2.101 0 40 BEAB COC(=O)c1oc2ccccc2c1OC 34087817 CBOLPMASAMZJNE-UHFFFAOYSA-N 206.197 2.228 0 40 BEAB O=C(NCC1(O)CCCC1)Oc1ccccc1 36110458 VEKPTBMMWOMUJB-UHFFFAOYSA-N 235.283 2.080 0 40 BEAB Nc1[nH]nc(C2CC2)c1-c1ccc2c(c1)OCO2 36936220 YJAIWDOJDAVHED-UHFFFAOYSA-N 243.266 2.265 0 40 BEAB in-vitro COc1ccccc1O[C@H]1CCCC[C@@H]1O 37695809 QRHUFWQFTUZQOF-QWRGUYRKSA-N 222.284 2.378 0 40 BEAB S=c1[nH]cccc1Nc1ncccn1 39235298 HZHHKQSJUJRKLR-UHFFFAOYSA-N 204.258 2.278 0 40 BEAB O=C1OCC[C@@H]1Sc1ncccc1Cl 40493671 ZYMKJRAJLHRKOA-ZETCQYMHSA-N 229.688 2.143 0 40 BEAB CC(C)[C@H](N)c1nc(-c2ccccc2)n[nH]1 42013490 LDNJWITWIYNEGN-JTQLQIEISA-N 216.288 2.128 0 40 BEAB Cc1cc(NC(=O)N[C@H](C)c2cccnc2)no1 44891803 PXBUXLMGDQSSFH-SECBINFHSA-N 246.270 2.261 0 40 BEAB Cc1ccccc1CC(=O)Nc1c[nH]nc1C 49476785 LUCUZIYLXKBTPM-UHFFFAOYSA-N 229.283 2.208 0 40 BEAB CCNc1cc(C)nc(-c2ccncc2)n1 50308671 XDZRCFFAGPKBCD-UHFFFAOYSA-N 214.272 2.279 0 40 BEAB Cc1cc(CC(=O)c2cccc(Cl)n2)on1 66347646 KQXIGRBZZYMIPH-UHFFFAOYSA-N 236.658 2.457 0 40 BEAB C[C@H]1C[C@H]1C(=O)Oc1cccc(-n2ccnc2)c1 71915238 DXBMGLIRXIOWLC-GXFFZTMASA-N 242.278 2.434 0 40 BEAB OC[C@H]1CCCCN1Cc1cnc(Cl)s1 72203701 ZSWXNYVFPJGVFV-MRVPVSSYSA-N 246.763 2.143 0 40 BEAB O=C1C[C@H](C(=O)O)c2cc(Cl)ccc21 75619958 OFZCDQDDHXZCMB-QMMMGPOBSA-N 210.616 2.095 0 40 BEAB O=C(O)[C@@H]1CCCN1Cc1ccc(F)c(F)c1 82549946 JCPZNJGPDBFYDX-NSHDSACASA-N 241.237 2.014 0 40 BEAB CCOC(=O)c1nnc(-c2cccc(F)c2)o1 85652952 HWKUSFXMFYAZEC-UHFFFAOYSA-N 236.202 2.052 0 40 BEAB COC(=O)Nc1ccc(Br)c(N)c1 86763655 CUJZAGNIPMKYQK-UHFFFAOYSA-N 245.076 2.210 0 40 BEAB CC[C@H](NC1CCSCC1)[C@@H]1CCCO1 90858822 KZZQTSGQTMSMCD-RYUDHWBXSA-N 229.389 2.429 0 40 BEAB COc1ccncc1NCc1cscn1 95430864 BOYNPFFWMPFQRE-UHFFFAOYSA-N 221.285 2.159 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 96510174 RFHCBHCTZIVIBS-GHMZBOCLSA-N 228.288 2.116 0 40 BEAB Cc1cccc(N(C)Cc2cc[nH]n2)c1 97139277 MLLHEISLJGUUJR-UHFFFAOYSA-N 201.273 2.355 0 40 BEAB CNC(=O)NCCc1csc2ccccc12 98008763 OIVVYVAZZBWADK-UHFFFAOYSA-N 234.324 2.373 0 40 BEAB C[C@@]12CC3CC(C(N)=O)(C1)C[C@@](C)(C3)C2 100318128 HZWMHZAOCNZQTA-FHQIDYJMSA-N 207.317 2.468 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1C[C@H]2C=C[C@H]1C2 100484770 DKFRIIGHCBCQEW-GUBZILKMSA-N 209.289 2.476 0 40 BEAB in-vitro FCCCOB(OCCCF)OCCCF 169806349 OPHBRUAGVBFWHO-UHFFFAOYSA-N 242.046 2.100 0 40 BEAB COCC(=O)NCCCc1ccc(Cl)cc1 224596142 DULKNNBNFJVOQU-UHFFFAOYSA-N 241.718 2.035 0 40 BEAB CO[C@@H](Cc1cccc(Cl)c1C)C(=O)O 225072303 YNPYAWUCDFTKBU-JTQLQIEISA-N 228.675 2.291 0 40 BEAB O=C(NCCCc1ccc(F)cc1)C1CC1 225384101 IGAWXZBLIUWFAL-UHFFFAOYSA-N 221.275 2.285 0 40 BEAB CC(=O)NCc1csc(C2CCC2)n1 227154237 FUPAUGOGCOZTOF-UHFFFAOYSA-N 210.302 2.047 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](C(=O)O)C1CCC1 255188665 KRTPOTRMUZEEHK-SECBINFHSA-N 243.303 2.012 0 40 BEAB COc1c(F)cccc1C(=O)C(F)F 306819483 HAEDSFCSNKIZGN-UHFFFAOYSA-N 204.147 2.282 0 40 BEAB CNCC(=O)NCc1c(C)c(C)c(C)c(C)c1C 440577189 ORPASNDBXBZTHD-UHFFFAOYSA-N 248.370 2.064 0 40 BEAB CCN(CC)C(=O)[C@H](C)Oc1ccccc1 30611 NILANMAUVXEMNA-NSHDSACASA-N 221.300 2.322 0 40 BEAB O=C(Nc1cccnc1)c1ccnc(Cl)c1 166946 DMQBAIHNPSSPKL-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CC(=O)OC2(C)C)cc1 477881 APHCJZUAUZFCJR-LLVKDONJSA-N 247.294 2.275 0 40 BEAB Cc1c(CCO)sc[n+]1CCc1ccccc1 1595282 GMXRRIMJNGTNEY-UHFFFAOYSA-N 248.371 2.122 0 40 BEAB CCOC(=O)CCCC(=O)N(C(C)C)C(C)C 1687958 VGAJVYHZZNGSKR-UHFFFAOYSA-N 243.347 2.365 0 40 BEAB CC(C)(C)NC(=O)Cc1ccc(F)cc1 2743786 SAXGHYIOHJHCAS-UHFFFAOYSA-N 209.264 2.283 0 40 BEAB O=C(OC[C@H]1CCCO1)c1cccnc1Cl 3184224 HIGUMXDGQDTRRI-MRVPVSSYSA-N 241.674 2.071 0 40 BEAB CC(C)CNC(=O)C(Cl)(Cl)Cl 4155327 NDMSFHUQCYYLAI-UHFFFAOYSA-N 218.511 2.129 0 40 BEAB CC[C@@H](C)NC(=O)c1c(OC)cccc1OC 5467706 TVPUHSKBSYMKEF-SECBINFHSA-N 237.299 2.232 0 40 BEAB CON(C)c1ncnc2sc3c(c12)CCC3 7978991 HJVFTPJYLSEVHK-UHFFFAOYSA-N 235.312 2.178 0 40 BEAB Cc1cc(C)c2c(=O)[nH]c(=S)n(C3CC3)c2n1 12394872 COFRZFPQNHKKLF-UHFFFAOYSA-N 247.323 2.406 0 40 BEAB COC(=O)[C@H](C)Sc1ccccc1C(=O)O 12909274 NSQPVTWCPSPXRF-ZETCQYMHSA-N 240.280 2.038 0 40 BEAB Nc1ccccc1C1(C(=O)O)CCCC1 19737454 OWHVGUAMYMHUSD-UHFFFAOYSA-N 205.257 2.165 0 40 BEAB CCCNC(=O)C1(c2ccccc2)CC1 23239176 UQFTWJHNNNDIJQ-UHFFFAOYSA-N 203.285 2.244 0 40 BEAB O=C(NCC1CC1)c1ccc2ncsc2c1 32906066 NCDNSYNZMMPGRY-UHFFFAOYSA-N 232.308 2.436 0 40 BEAB OCc1ccc(C2(C(F)(F)F)N=N2)cc1 34482208 UZHHTEASLDJYBO-UHFFFAOYSA-N 216.162 2.360 0 40 BEAB in-vitro O=C(O)c1ccc2c(F)cc(F)cc2n1 34537337 VFVVABAXGAJRET-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB Nc1ccccc1OCc1cscn1 38055898 XKHYIDXZCJBXSZ-UHFFFAOYSA-N 206.270 2.304 0 40 BEAB in-vitro COC(=O)c1c2ccccc2nn1C(C)C 38997494 ODGSTDJBYKVPOU-UHFFFAOYSA-N 218.256 2.404 0 40 BEAB in-vitro CN(C)c1cc(C(=O)N2CCCCCC2)ccn1 40088579 HJZCMGNULYQBQI-UHFFFAOYSA-N 247.342 2.164 0 40 BEAB N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 40449133 ZTXURZVDGVBCIG-GFCCVEGCSA-N 225.295 2.480 0 40 BEAB CC(C)NC(=O)Cc1csc(C(C)C)n1 40523134 VKBDAGBCYCLUDU-UHFFFAOYSA-N 226.345 2.334 0 40 BEAB COC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 41421855 WIWYUMLFLGREMI-CMPLNLGQSA-N 235.283 2.215 0 40 BEAB CC(C)(C)[C@H](NS(C)(=O)=O)c1cccs1 41627184 WZIBMHDSPGWTQG-SECBINFHSA-N 247.385 2.385 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccnc(OC)c1 42484109 MTSHQDJJNQZPDR-BJMVGYQFSA-N 234.299 2.063 0 40 BEAB CC(C)(C)c1cccc(OC2CNC2)c1 42769929 KNUBXYPUEMLXNB-UHFFFAOYSA-N 205.301 2.335 0 40 BEAB C[C@@H]1CCC[C@@H](NC(=O)Nc2nncs2)C1 43127802 BMKWCXUXPXKODD-HTQZYQBOSA-N 240.332 2.238 0 40 BEAB CC(C)(C)C(=O)NCCc1cccs1 43945798 XDKUURIMTNIYTI-UHFFFAOYSA-N 211.330 2.453 0 40 BEAB COCC(=O)Nc1ccc(F)cc1Cl 57382692 ZUJOMIVNLHHFGR-UHFFFAOYSA-N 217.627 2.064 0 40 BEAB CC[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1 57536131 ZZQHBHSRSVUXOB-LLVKDONJSA-N 243.310 2.401 0 40 BEAB CC(=O)c1ccc(Br)c(F)c1O 67172162 LVKDDCNRUCRQOS-UHFFFAOYSA-N 233.036 2.496 0 40 BEAB CN(C)[C@@](C)(CN)c1ccccc1Cl 70453417 NGVWOVMILZLGDI-NSHDSACASA-N 212.724 2.076 0 40 BEAB Cc1cccn(Cc2ccc(F)cc2)c1=O 71516840 RPPPXBULJWOQTI-UHFFFAOYSA-N 217.243 2.344 0 40 BEAB C[C@@H](CC(=O)O)[C@H](C)NC(=O)OC(C)(C)C 72208305 XFBVMJNPJAEPAT-YUMQZZPRSA-N 231.292 2.010 0 40 BEAB O=Cc1ccc(Br)c(Cl)n1 79048175 MUQCOACMBKSMMR-UHFFFAOYSA-N 220.453 2.310 0 40 BEAB in-vitro CCOC(=O)c1c(N)cccc1Br 82046779 RNWLZUKQXXYCQZ-UHFFFAOYSA-N 244.088 2.208 0 40 BEAB COc1ccc2nc(C(C)=O)ccc2c1 83283725 DTCFSXCLTLCUGF-UHFFFAOYSA-N 201.225 2.446 0 40 BEAB CN1CC[C@H](Sc2cccs2)C1=O 89375057 VOZQZUGIQMQAQR-ZETCQYMHSA-N 213.327 2.071 0 40 BEAB Cc1cccc(CN(C)c2ccnn2C)c1 89669468 XABNXSHDWCNZHK-UHFFFAOYSA-N 215.300 2.365 0 40 BEAB CCCO[C@H]1CCCN(c2nnc(CC)o2)C1 91625764 RKRCTLDGGPXRLJ-JTQLQIEISA-N 239.319 2.027 0 40 BEAB Cc1ccc(F)c(N(C#N)Cc2nccn2C)c1 95412679 QPGQIABNKOWNAZ-UHFFFAOYSA-N 244.273 2.355 0 40 BEAB Cc1ccccc1-c1nc([C@H](N)C(C)C)n[nH]1 95534764 DJTCDCZTZNLVCQ-LLVKDONJSA-N 230.315 2.436 0 40 BEAB NC(=O)c1cccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1 102857331 YORJWAKVZZAHDU-GMXVVIOVSA-N 242.322 2.410 0 40 BEAB COc1cccc(CNc2ccccc2CO)n1 189430078 OAHHPDCBZJAHPV-UHFFFAOYSA-N 244.294 2.195 0 40 BEAB CCNCC[C@H](CCO)c1ccc(C)cc1 217800551 JJPLGLMAYAFFQS-CQSZACIVSA-N 221.344 2.461 0 40 BEAB N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1 218856859 LRGCLQBNHQXGJI-CHWSQXEVSA-N 222.307 2.185 0 40 BEAB CCNc1ccc(N)cc1C(=O)OC(C)C 225451415 NRAJITQOJUUWIZ-UHFFFAOYSA-N 222.288 2.266 0 40 BEAB CC[C@@H](C(=O)O)N1CC[C@@H](Nc2ccccc2)C1 249034188 WRPVWLVVAPYMEE-OLZOCXBDSA-N 248.326 2.036 0 40 BEAB Cc1nn(C(C)C)cc1CNc1cc(C)n(C)n1 256053446 RMTUUTAFYVVALP-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB CN1CC[C@@H](Oc2nccc3ccccc23)C1 585652734 UOKHUUAPLXJBEC-GFCCVEGCSA-N 228.295 2.318 0 40 BEAB CC1=C(Cl)c2ccccc2S1(=O)=O 291622 IIKVZRAWACGDGZ-UHFFFAOYSA-N 214.673 2.401 0 40 BEAB CCc1ccccc1NC(=O)c1cnsn1 935405 MLFZWDSDNYBJMW-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB CC1=NN(c2ccc(C)cc2C)C(=O)C1 1004590 AEISAVPOAWUOEY-UHFFFAOYSA-N 202.257 2.416 0 40 BEAB CCC(=O)n1oc(=O)cc1-c1ccccc1 1405322 RCKPLIWGKWTSES-UHFFFAOYSA-N 217.224 2.159 0 40 BEAB CCCC[C@H](CC)CNC(=O)C[C@@H](C)O 2019926 WTBQLHRVRKXSPX-MNOVXSKESA-N 215.337 2.090 0 40 BEAB in-man c1cc2c(cc1CO[C@@H]1CCCCO1)OCO2 2048533 PKIBPPKNRXSIBN-CYBMUJFWSA-N 236.267 2.459 0 40 BEAB O=C(OCC(F)(F)C(F)F)c1cccnc1 2620193 FMQLCMBNWHVGPW-UHFFFAOYSA-N 237.152 2.139 0 40 BEAB N=C1c2ccccc2CN1C[C@H]1CCCO1 5322155 MKKJXDCIPYHWCK-LLVKDONJSA-N 216.284 2.007 0 40 BEAB O=c1cc(O)nc2scc(-c3ccccc3)n12 8694686 VGSYONPCMZLPBZ-UHFFFAOYSA-N 244.275 2.129 0 40 BEAB CNC(=O)c1csc(-c2ccc(OC)cc2)n1 9500018 UORGNVJBIVZKKT-UHFFFAOYSA-N 248.307 2.178 0 40 BEAB Cc1cnc2c(c1)CCC[C@@H]2C(N)=S 11726221 AIMIAJHGOMWBQG-VIFPVBQESA-N 206.314 2.096 0 40 BEAB in-man CCc1ccc(NC(=O)c2cnsn2)cc1 12289022 WMGJCBKHOIHBAH-UHFFFAOYSA-N 233.296 2.353 0 40 BEAB CCCCC/C=C(/C(=O)O)[C@@H](C)C(=O)O 14439134 YTUQECDNJQCQAE-KGOFQHAKSA-N 214.261 2.298 0 40 BEAB biogenic,in-vitro CC(C)(C)[S@@](=O)NCc1ccccc1 15782114 IRIZCXAZRNUZBS-AWEZNQCLSA-N 211.330 2.238 0 40 BEAB CCONC(=O)COc1cccc2ccccc12 17821239 CKFUFPLEPCISDJ-UHFFFAOYSA-N 245.278 2.286 0 40 BEAB NC(=O)c1cccc(NCc2ccsc2)c1 20124842 DJFSDQRVAPDRMV-UHFFFAOYSA-N 232.308 2.459 0 40 BEAB Cc1nn(C)cc1NCc1ccc(F)cc1 20350355 RDPSWXWJFREPKJ-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB O=C(NCc1ccccc1)c1cncs1 22073160 TVDQPNOTIYWINB-UHFFFAOYSA-N 218.281 2.073 0 40 BEAB O=C(c1ccc2c(c1)CCC2)N1CCCC1 32666219 KFZBFJMPZGBDCE-UHFFFAOYSA-N 215.296 2.411 0 40 BEAB CCN(C(=O)[C@H](N)C(C)C)C1CCCCC1 35220768 TWRNKXHVRWOXPK-GFCCVEGCSA-N 226.364 2.151 0 40 BEAB COc1cc(Cl)cc2c(=O)cc[nH]c12 36075604 RRKJLLXXCYQFQR-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB Cc1nccc2ncnc(C(F)(F)F)c12 36559136 DROGRDVPHOMWHY-UHFFFAOYSA-N 213.162 2.352 0 40 BEAB CCC[C@@H](N)CN1CCc2ccccc2C1 36873557 RNWQPGKHRUODNT-CQSZACIVSA-N 218.344 2.172 0 40 BEAB O=C(O)CCCOc1ccc(F)c(F)c1 36962299 UXBGRWJDALJWLT-UHFFFAOYSA-N 216.183 2.208 0 40 BEAB c1ccc2c(c1)CCCN2C[C@H]1CCNC1 42783437 VXVXPQVXJLQWKE-LBPRGKRZSA-N 216.328 2.049 0 40 BEAB COC(=O)c1cn(C(C)=O)c2ccccc12 44199492 FZYLVKLWRYXUGG-UHFFFAOYSA-N 217.224 2.088 0 40 BEAB O=C(NCc1ccc(Cl)s1)NC1CC1 45313468 CQQHQFAGWACUAW-UHFFFAOYSA-N 230.720 2.363 0 40 BEAB CCCSCC(=O)N[C@@H](C)c1ccccn1 48678670 GESZTCKHDOZGGH-JTQLQIEISA-N 238.356 2.402 0 40 BEAB CC(C)(C)OC(=O)n1cc(CO)c2cccnc21 52508024 XPXXDPUPBVIHGK-UHFFFAOYSA-N 248.282 2.312 0 40 BEAB CC1(C)C=Cc2cc(CC(=O)O)ccc2O1 52514045 QJMKAHDCRKUMCK-UHFFFAOYSA-N 218.252 2.498 0 40 BEAB Fc1ccc(OC[C@H]2CCCN2)cc1F 55464139 DNKSRXIDAZGCDB-MRVPVSSYSA-N 213.227 2.096 0 40 BEAB C[C@@H]1CC(N)=NN1c1nc2ccccc2s1 59441349 ADLZROYRFFFVKU-SSDOTTSWSA-N 232.312 2.167 0 40 BEAB c1ccc(N2CC[C@H](Nc3ncccn3)C2)cc1 69653751 BOJAAJVREHISSN-LBPRGKRZSA-N 240.310 2.167 0 40 BEAB CC(=O)NCCc1nc2ccccc2n1C(C)C 71405330 XQFUPAAPGAORIJ-UHFFFAOYSA-N 245.326 2.296 0 40 BEAB N=C(N)CCc1ccc(Br)cc1 71533016 FBUPEDKVYYOLLK-UHFFFAOYSA-N 227.105 2.318 0 40 BEAB CCC(=O)N1CCCC[C@@H]1c1nccc(C)n1 72187599 XAZDHFMYCRAMMS-LLVKDONJSA-N 233.315 2.249 0 40 BEAB Cc1cc(S)ncc1[C@H]1CCCN1C 72218306 CBGSOLUGYGGVLY-SNVBAGLBSA-N 208.330 2.445 0 40 BEAB c1cc([C@@H]2CNCCO2)ncc1NC1CCCC1 72386448 SDSNZJTWCWVPEY-AWEZNQCLSA-N 247.342 2.097 0 40 BEAB O=C(NCC(F)F)c1ccccc1Cl 73163718 FLVXJPKVXQCRIP-UHFFFAOYSA-N 219.618 2.335 0 40 BEAB N[C@@H]1CCc2c([nH]c3ccc(F)cc23)C1 74205430 UATQZSAVSKJWPR-MRVPVSSYSA-N 204.248 2.123 0 40 BEAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)COC 78228062 SHTCUOPJGKLMTR-AWEZNQCLSA-N 249.354 2.421 0 40 BEAB CC(C)c1nsc(N2C[C@H](C)O[C@@H](C)C2)n1 80761452 CVRHXKPGAQDJNR-IUCAKERBSA-N 241.360 2.275 0 40 BEAB N[C@@]1(Cc2cccc(Cl)c2)CCOC1 83186694 USUPANPUVJJGPS-LLVKDONJSA-N 211.692 2.000 0 40 BEAB Cc1noc(C)c1NCc1ccc(C(N)=O)cc1 84025595 BYJCEGDZYHQJDI-UHFFFAOYSA-N 245.282 2.002 0 40 BEAB CN(Cc1c[nH]cn1)[C@H]1CCc2ccccc2C1 93438704 LQDIAZJLWSFCDX-HNNXBMFYSA-N 241.338 2.399 0 40 BEAB O=C1c2ccccc2O[C@H](c2ccccc2)[C@H]1O 95004884 YEDFEBOUHSBQBT-LSDHHAIUSA-N 240.258 2.364 0 40 BEAB in-vitro O=c1c2ccc(F)cc2ncn1CC1CCC1 95403409 BWTJXBUUYNZKEG-UHFFFAOYSA-N 232.258 2.336 0 40 BEAB COCc1nc(CNc2cc(C)on2)cs1 95990330 MIGLOBJZGCRKBT-UHFFFAOYSA-N 239.300 2.198 0 40 BEAB Cc1nn(C)cc1C(=O)OCc1ccsc1 96442674 ILFLDTAQZRLCSG-UHFFFAOYSA-N 236.296 2.147 0 40 BEAB CC(C)c1nccn1[C@H]1CCCN(C[C@@H]2CO2)C1 96510526 DZALLZYRMODTAK-QWHCGFSZSA-N 249.358 2.042 0 40 BEAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C)[C@H]1[C@@H]2C 100743032 XECHVXPHGHIOKX-NZEXEKPDSA-N 210.317 2.232 0 40 BEAB biogenic O=C(c1ccc(Br)cn1)C1CC1 133038722 WFTPUWSQOMIFQY-UHFFFAOYSA-N 226.073 2.437 0 40 BEAB CC[C@@H](c1ccccc1)[C@H]1CNCCC1=O 168636316 CBFVDTFNCYHRAB-QWHCGFSZSA-N 217.312 2.359 0 40 BEAB Cc1cc(-n2cccc2)cc(C(=O)O)c1O 226244980 BCTUUSXONFBSOX-UHFFFAOYSA-N 217.224 2.190 0 40 BEAB Cc1cc(NCc2cccc(F)c2)n(C)n1 237756187 ZVUZJLFMSUFGNV-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB COc1nn(C)cc1NCCc1ccccc1 256052627 OCFLDVXECACYPX-UHFFFAOYSA-N 231.299 2.083 0 40 BEAB N[C@@H]1C[C@H](C(F)(F)F)CC(F)(F)C1 953073413 KKZPAIYUFASXBV-CRCLSJGQSA-N 203.154 2.311 0 40 BEAB Fc1ccc2nc(NCc3ncccn3)oc2c1 1307202084 UYOSWGKVBMILJQ-UHFFFAOYSA-N 244.229 2.369 0 40 BEAB C[C]1CC(=O)CCN1C(=O)OC(C)(C)C 1560405313 ACTADTYRKXPRDF-UHFFFAOYSA-N 212.269 2.138 0 40 BEAB CN1CCCN(C(=S)Nc2ccccc2)CC1 97838 PGVMVHWHRGEMRC-UHFFFAOYSA-N 249.383 2.021 0 40 BEAB Cc1nc2ccccc2c(=O)n1-c1cccnc1 351520 ZLVHQWMBSKEKFB-UHFFFAOYSA-N 237.262 2.089 0 40 BEAB CCN[C@@H](Cc1ccccc1)[C@H]1CCCO1 1708378 DOFCLOLKFGSRTG-UONOGXRCSA-N 219.328 2.386 0 40 BEAB in-man CN1Cc2cc(Br)ccc2OC1=O 3851259 RDZNJVWTLNPLDB-UHFFFAOYSA-N 242.072 2.393 0 40 BEAB biogenic CSCc1cc(N2CCCC2)nc(C)n1 5423335 OFKWAMKPTSPOHR-UHFFFAOYSA-N 223.345 2.248 0 40 BEAB COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 5559999 VVBRWFBHPKUVOI-LDYMZIIASA-N 205.257 2.290 0 40 BEAB COc1cccc(CNCC(C)C)c1OC 6883647 WVSOJSFIASVMKT-UHFFFAOYSA-N 223.316 2.449 0 40 BEAB CCCCN(C)C(=O)Cn1cnc2ccccc21 7542318 LJRQFPUEMXTRGD-UHFFFAOYSA-N 245.326 2.295 0 40 BEAB Cc1ccccc1-c1[nH]ncc1C(=O)O 8700069 SZQFGJAHAQPPLF-UHFFFAOYSA-N 202.213 2.083 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccncc1 12913950 MHOFJBIBOVGCAB-PWSUYJOCSA-N 218.300 2.390 0 40 BEAB Cc1cc(C)c2ccc(NN=O)nc2n1 13213214 WESPSFYKBIMIAX-UHFFFAOYSA-N 202.217 2.340 0 40 BEAB CC(=O)Nc1cc(C)nn1Cc1ccccc1 13701297 QEAWQMPGEFGPDT-UHFFFAOYSA-N 229.283 2.198 0 40 BEAB O=C(Cc1cccc(F)c1)Nc1ccncc1 17583682 HXDXHAGTTYSFMJ-UHFFFAOYSA-N 230.242 2.402 0 40 BEAB Nc1nc2ccc(C(=O)N3CCCC3)cc2s1 20154885 VZBQNKTUVDZSCW-UHFFFAOYSA-N 247.323 2.115 0 40 BEAB C[C@H]1CCCN(C(=O)Cc2cccc(N)c2)C1 20155032 NIOSJGPVNHXDJM-NSHDSACASA-N 232.327 2.070 0 40 BEAB Cc1cc(NCc2cccs2)nn1C 20351657 BLLRUZQEZHBKMI-UHFFFAOYSA-N 207.302 2.402 0 40 BEAB CC(=O)N[C@H](C)c1ccc(C(C)=O)cc1 22004538 RZAWAOKACCQVTF-MRVPVSSYSA-N 205.257 2.086 0 40 BEAB in-vitro C[C@H](c1ccc(F)cc1)N1CCC(N)CC1 26514873 PAUUNFCYVMQSCI-SNVBAGLBSA-N 222.307 2.310 0 40 BEAB CCO[C@H](CN1CCOCC1)c1ccccc1 31723602 YWRASIOTKRNTBJ-CQSZACIVSA-N 235.327 2.096 0 40 BEAB COCc1nc2ccc(C(=O)O)cc2s1 31894183 MUGSBHKYFBSCNK-UHFFFAOYSA-N 223.253 2.141 0 40 BEAB OCc1csc(-c2ccccc2F)n1 32012116 CTRPELPWSRHYEL-UHFFFAOYSA-N 209.245 2.442 0 40 BEAB Cc1ccc(NCCCc2c(C)n[nH]c2C)nn1 32558287 PJTNSAYHAVDWPL-UHFFFAOYSA-N 245.330 2.170 0 40 BEAB CCCNC(=O)[C@@H](C)Sc1ccccn1 32774306 RCZNMQZWFGFFLV-SECBINFHSA-N 224.329 2.088 0 40 BEAB CC1CCC(NC(=O)NCC2CC2)CC1 32909470 DOVCSFJMPCPJJT-UHFFFAOYSA-N 210.321 2.274 0 40 BEAB CCOCCNc1ncnc2ccsc12 36230046 RWVKXUXSUBJLII-UHFFFAOYSA-N 223.301 2.140 0 40 BEAB O=C(CC(F)(F)F)NCc1ccc(F)cc1 40490335 DTAQXYKOAHJZNH-UHFFFAOYSA-N 235.180 2.394 0 40 BEAB CCC(=O)Nc1nc2c(s1)C(=O)CCC2 44449132 OFFMVAKYPJICHL-UHFFFAOYSA-N 224.285 2.011 0 40 BEAB COC(=O)c1c(F)cc(F)c(F)c1F 47202463 PXXRNDMEWYJEDI-UHFFFAOYSA-N 208.110 2.030 0 40 BEAB CC(=O)NCCOc1cccc(C(F)(F)F)c1 47346054 LIXKUAMAQYVGCI-UHFFFAOYSA-N 247.216 2.220 0 40 BEAB CN(Cc1ccc(F)cc1)C(=O)NC1CC1 49126778 YUKAYWIYWJHYCL-UHFFFAOYSA-N 222.263 2.130 0 40 BEAB CCNC(=O)c1cccnc1SC(C)C 58162245 QHWFRKUVSWOOFE-UHFFFAOYSA-N 224.329 2.332 0 40 BEAB CC[C@@](C)(O)CNC(=O)Nc1ccc(F)cc1 58298119 ANACZSRNDFAPNT-GFCCVEGCSA-N 240.278 2.108 0 40 BEAB COC(=O)c1ccc(N)c(N2CCCCC2)c1 63110845 DHMBWTUCCQKRAH-UHFFFAOYSA-N 234.299 2.046 0 40 BEAB FC(F)(F)c1ccnc(N2CCSC2)n1 69538767 JHXCBGSGMQQVFV-UHFFFAOYSA-N 235.234 2.006 0 40 BEAB CC(C)(C)OC(=O)c1nc(Cl)ccc1N 71791369 QANFRDUSAIEFPS-UHFFFAOYSA-N 228.679 2.273 0 40 BEAB Cc1cc(C)nc([C@H]2CCN(C(C)C)C2)n1 72381406 WKENVASXCFDYSR-LBPRGKRZSA-N 219.332 2.291 0 40 BEAB CC(=O)N1Cc2ccccc2C(C)(C)C1 74909897 DZLKUWXMKWYLGJ-UHFFFAOYSA-N 203.285 2.326 0 40 BEAB O=C(Nc1ccccc1)N[C@@H]1CCC[C@@H](O)C1 75156799 WDNXBNRDYJIYLR-VXGBXAGGSA-N 234.299 2.112 0 40 BEAB O=c1[nH]c(CCC(F)(F)F)nc2ccccc12 79913341 WTMBKNOLHUAZRW-UHFFFAOYSA-N 242.200 2.418 0 40 BEAB COc1cccc2nc(C)cc(CO)c12 82778986 FILLBGWLVKLMQH-UHFFFAOYSA-N 203.241 2.044 0 40 BEAB CC(C)C(=O)NC[C@@]1(C)CCCS1 87620753 MAWZPKAMUQMPMK-SNVBAGLBSA-N 201.335 2.044 0 40 BEAB CCCCCC(=O)OCc1nncn1C1CC1 89492322 BJGOFDYQFGEMKW-UHFFFAOYSA-N 237.303 2.237 0 40 BEAB CC(C)N(C)C(=O)[C@H](C)SC1CCOCC1 89856810 WRPVRVXDYJMIKC-JTQLQIEISA-N 245.388 2.154 0 40 BEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCS2)C1 95404066 ASXBGDCXNBEYGB-AXFHLTTASA-N 227.373 2.387 0 40 BEAB c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 96428949 OQRHZXAUNOSHHY-UHFFFAOYSA-N 238.294 2.176 0 40 BEAB CCSCC[C@H](C)NC(=O)c1cccn1C 96433091 OHFSYEPIOWKONW-JTQLQIEISA-N 240.372 2.287 0 40 BEAB CC(C)CC[C@H](C)N[C@@H](C)[C@@H](C)CO 97017042 WMTNWOOXUHGQMV-SRVKXCTJSA-N 201.354 2.418 0 40 BEAB Cc1cc(C)n(Cc2cccc3c2OCCO3)n1 98016337 WGZPXZVXZJVVFF-UHFFFAOYSA-N 244.294 2.319 0 40 BEAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](O)CC1 100006025 XWYVCQSOGJIMPK-AOOOYVTPSA-N 229.320 2.062 0 40 BEAB CCO/C(O)=C/c1nc2ccccc2oc1=O 101635119 CUZFOQDHPGFTQR-YRNVUSSQSA-N 233.223 2.081 0 40 BEAB CCN1/C(=C2\C=NN(C)C2=N)Nc2ccccc21 103147675 IJZMJRVVOOWJRP-ZSDZFUCWSA-N 241.298 2.058 0 40 BEAB Cc1ncsc1CN1CCC[C@H]([C@@H](C)O)C1 136832268 GGMHEAGKULWFBM-MNOVXSKESA-N 240.372 2.044 0 40 BEAB C[C@H](NCCC(C)(C)C)[C@H](C)N1CCOCC1 187879947 GUVFXDHNVQQVDS-STQMWFEESA-N 242.407 2.121 0 40 BEAB Cc1n[nH]c(C)c1CN(C)Cc1cccnc1 195561842 YKMKUBPTCMTLFY-UHFFFAOYSA-N 230.315 2.054 0 40 BEAB O=C(OCCCn1cccn1)C1=CCCCC1 195572712 HFWBUTJXKPTWOI-UHFFFAOYSA-N 234.299 2.317 0 40 BEAB COCC(=O)c1ccc(OC)cc1Cl 308460760 QTKGRAXTKBSEPH-UHFFFAOYSA-N 214.648 2.178 0 40 BEAB O=C(O)[C@@H]1[C@@H]2Cc3ccc(Cl)cc3[C@H]21 536956352 WLJLPPNLAMGCOO-OPRDCNLKSA-N 208.644 2.310 0 40 BEAB CC1(NCc2cc(Cl)cs2)COC1 877691744 UZKLJZHLKBIBEA-UHFFFAOYSA-N 217.721 2.280 0 40 BEAB O=C(N[C@H]1CCC(F)(F)C1)C1(C2CC2)CC1 889553844 JSICARVBFNGMBF-VIFPVBQESA-N 229.270 2.481 0 40 BEAB COC(=O)C(=Cc1ccccc1C)CC(=O)O 1857793254 ZXOGATWZGABZMF-UHFFFAOYSA-N 234.251 2.026 0 40 BEAB CCOC=C(C(=O)OCC)C(F)(F)F 1857794163 BPZQUFGPEBXAPL-UHFFFAOYSA-N 212.167 2.032 0 40 BEAB COC(=O)[C@@H]1Cc2cc3c(cc2C1=O)CCCC3 1855453 YEQUBSPQHUNXLU-CYBMUJFWSA-N 244.290 2.093 0 40 BEAB c1cn(-c2ccc(OC3CCNCC3)cc2)cn1 2527209 JAXHYYQLGVOIKL-UHFFFAOYSA-N 243.310 2.003 0 40 BEAB CO[C@H]1C=C[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 4727106 CULHEDOHPOHBOT-RQJABVFESA-N 248.278 2.028 0 40 BEAB Cc1noc(C)c1CCC(=O)NC1CCCC1 7525401 FTTICNANBZARMU-UHFFFAOYSA-N 236.315 2.283 0 40 BEAB CC(C)Cc1nnc(NC(=O)C2CCC2)s1 8156072 DVWYFXDCGGAPBF-UHFFFAOYSA-N 239.344 2.475 0 40 BEAB NC(=O)c1ccc(-c2ccc(F)cc2)o1 12973383 VZXAJUCWNRKHTL-UHFFFAOYSA-N 205.188 2.185 0 40 BEAB c1ccc2c(c1)C[C@@H](N1CCCCC1)CO2 15064719 MRSVLLCCMXNJPJ-CYBMUJFWSA-N 217.312 2.476 0 40 BEAB CC(C)(C)C(=O)Nc1cc(N)ccc1F 19736586 YMCMQUDIZFLEEA-UHFFFAOYSA-N 210.252 2.393 0 40 BEAB COc1ccc(S[C@@H](C)C(=O)N(C)C)cc1 20112507 CUJWHTHCNIZHIJ-VIFPVBQESA-N 239.340 2.264 0 40 BEAB CCOc1ccc(CNCC2CCNCC2)cc1 20176473 GLCNUJMCZXJECY-UHFFFAOYSA-N 248.370 2.175 0 40 BEAB CCOC(=O)c1ccc(Cn2cccc2C=O)o1 20447602 KSDMDYVKRWZNHO-UHFFFAOYSA-N 247.250 2.119 0 40 BEAB C1=CC2=CC=C[C@@H](CC3=NCCN3)[C@H]2C=C1 21983098 ZJSGEQUSOJAXBX-STQMWFEESA-N 212.296 2.233 0 40 BEAB N=C1CCCN1C[C@H](O)c1ccc(Cl)cc1 26506909 FKJNPJSKYNGTLZ-NSHDSACASA-N 238.718 2.446 0 40 BEAB O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 31036687 OVPSWWHKGXDZRQ-UONOGXRCSA-N 245.322 2.433 0 40 BEAB Clc1cncc(NCc2ccccn2)n1 35940266 DGKHNHCAQKNFNO-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB O=C(O)c1cc(Cl)nc(N2CCCC2)c1 36960152 YNFKZONCUONSFE-UHFFFAOYSA-N 226.663 2.033 0 40 BEAB in-vitro CN[C@H](C(=O)O)c1c(Cl)cccc1Cl 37180891 XTGACMQDOADNHH-QMMMGPOBSA-N 234.082 2.339 0 40 BEAB biogenic O[C@@H]1CCCC[C@H]1n1cc(Cl)cn1 38053935 HUSKQOMRXWIBPN-RKDXNWHRSA-N 200.669 2.013 0 40 BEAB C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2O1 40466500 HSZLHXYJYTUWHE-SMDDNHRTSA-N 245.322 2.391 0 40 BEAB COC(=O)c1occc1CN1CCCC[C@@H]1C 40475806 WYNCPUIXSWPQFA-JTQLQIEISA-N 237.299 2.441 0 40 BEAB CC(C)CO[C@@H](C)C(=O)NC1CCCCC1 40521108 MEUGAQAANFMQGX-NSHDSACASA-N 227.348 2.496 0 40 BEAB COc1ccc([C@H](O)C(F)(F)F)c(F)c1 41066660 WJSHOLWKRRNMOD-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB CCC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 41421350 JXAZHVIHWHSOHA-AAEUAGOBSA-N 233.311 2.385 0 40 BEAB O=C(O)c1ccc(=O)n(-c2cccc(Cl)c2)c1 43671740 PJFMCUUQPDTFCH-UHFFFAOYSA-N 249.653 2.189 0 40 BEAB in-vitro CCOC(=O)c1ccc(N)cc1Br 45895580 NAHVMSGNHQCHBM-UHFFFAOYSA-N 244.088 2.208 0 40 BEAB CCN(CCO)Cc1c(F)cccc1Cl 49754189 NJVZWZRNQKARJH-UHFFFAOYSA-N 231.698 2.293 0 40 BEAB Cc1cc(C)nc(NCCNCCC(C)C)n1 62717886 ONRYMXZWWDRGHS-UHFFFAOYSA-N 236.363 2.141 0 40 BEAB CC(=O)N[C@]1([C@@H]2C=CCCC2)C=COCC1 72194102 CVVYCUUQSLWFTJ-CHWSQXEVSA-N 221.300 2.152 0 40 BEAB CC(C)(C)c1cc(C2(CN)CCC2)no1 72220663 KNOUGROQUILQOP-UHFFFAOYSA-N 208.305 2.353 0 40 BEAB CCc1cc(C)n(CCCOC)c1C(=O)O 78405399 JWNYHXMEKSEBEV-UHFFFAOYSA-N 225.288 2.094 0 40 BEAB c1ccc(N2CCC(N3CCCC3)CC2)nc1 79270469 VCQKNBFFAKKOBB-UHFFFAOYSA-N 231.343 2.146 0 40 BEAB Cc1ncccc1C(=O)NC1CCCC1 82300875 YJUNYEIIZMEKCG-UHFFFAOYSA-N 204.273 2.062 0 40 BEAB COC(C)(C)C[C@@H](C)NCc1cscn1 82626033 JVXRTBCQZDHGPJ-SECBINFHSA-N 228.361 2.436 0 40 BEAB Cc1cc(C)nc(N2C[C@H]3CCC[C@@H]3C2)n1 89599440 NOMODSJDPNITDZ-VXGBXAGGSA-N 217.316 2.330 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCCN[C@@H]2C)c1C 91496416 TVKBPWTVCDPBBV-TZMCWYRMSA-N 246.354 2.174 0 40 BEAB Cc1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1 95050004 RGEKDYDYHBLHBA-UHFFFAOYSA-N 242.282 2.243 0 40 BEAB CCOc1ccccc1N(C)C(=O)CCOC 95438321 HIVWWVHDIIGTIN-UHFFFAOYSA-N 237.299 2.085 0 40 BEAB Cc1cc(NC(=O)c2sc(C)nc2C)ncn1 95961453 QKJYGSVURWJROI-UHFFFAOYSA-N 248.311 2.111 0 40 BEAB c1cc(CN2C[C@@H]3C[C@H](C2)CN3CC2CC2)co1 96058520 INVIIYHICVNSES-CABCVRRESA-N 246.354 2.196 0 40 BEAB CO[C@H]1Sc2ccccc2NC(=O)[C@H]1F 96171725 FYKUWOGIAABHAR-SCZZXKLOSA-N 227.260 2.041 0 40 BEAB O[C@@H](c1ccc(Cl)nc1)C(F)(F)F 96528088 SPONQQBDNAPFFT-LURJTMIESA-N 211.570 2.331 0 40 BEAB CC[C@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97016586 IDBRGSVLGCFHIA-IGQOVBAYSA-N 223.360 2.482 0 40 BEAB CCCc1nnc(NCc2ccc(C)cn2)o1 97045420 QAQDFHKUFNZBSE-UHFFFAOYSA-N 232.287 2.338 0 40 BEAB Cc1cc(COC(=O)c2ccco2)nc(C)n1 97110989 ZGPSUTCPFVJQJE-UHFFFAOYSA-N 232.239 2.043 0 40 BEAB CC[C@H](N[C@@H]1CCCSC1)[C@H]1CCCO1 97370935 FEFHHZAYJPCWCB-GRYCIOLGSA-N 229.389 2.429 0 40 BEAB C[C@H]1CCc2c(nn(C3CCCC3)c2O)N1 110757652 NBYGFCDRVPBRER-QMMMGPOBSA-N 221.304 2.450 0 40 BEAB O=c1ccc(-c2ccc(F)cc2)nn1CC1CC1 124152016 LUKZOQWYCKIIDE-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB CC(C)O[C@H]1CCN(C(=O)OC(C)(C)C)C1 141179940 DWOZQGAGIUWJHN-JTQLQIEISA-N 229.320 2.421 0 40 BEAB NN[C@@H]1CCCc2ccc(Br)cc21 199546522 CDELILABSFNWMS-SNVBAGLBSA-N 241.132 2.290 0 40 BEAB CCCCNc1ncnc2c1ccc(=O)n2CC 225549187 SYBNDKFWQXRJIN-UHFFFAOYSA-N 246.314 2.023 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)/C2=C\CC(=O)O 226334566 RGKKHMAZNHLDGM-QXXACENFSA-N 224.300 2.205 0 40 BEAB CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)O 237011105 QZZMQWZZFMQJRD-ZDUSSCGKSA-N 235.327 2.333 0 40 BEAB CC[C@H](C)n1ncc(Br)c1C=O 685936582 IHPGUBUNQZQNRV-LURJTMIESA-N 231.093 2.429 0 40 BEAB CN1C[C@@H](N)[C@@H](c2ccccc2C(F)(F)F)C1 725409223 WKPYUKGDCNTYKE-MWLCHTKSSA-N 244.260 2.062 0 40 BEAB COC(=O)C12CC3(N)C[C@@](C)(C1)C[C@@](C)(C3)C2 1535514100 NCPINVMHSNYUSM-IWMBGFJWSA-N 237.343 2.237 0 40 BEAB COC(=O)CC1(CN(C)C)CCCCC1 158401 IWZAAAZHZDFWRL-UHFFFAOYSA-N 213.321 2.062 0 40 BEAB COc1ccc(SCCC(=O)O)cc1 161516 YGLGCLKWXCJXRC-UHFFFAOYSA-N 212.270 2.262 0 40 BEAB in-vitro O=C1C[C@H]2CCC[C@H](c3ccccc3)[C@@]2(O)O1 517459 ZMWQOEWNVDTTKC-BZPMIXESSA-N 232.279 2.206 0 40 BEAB COc1ccc(Nc2cc(C)nc(N)n2)cc1 1681557 RMCVFLIDMMCSAJ-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB CCCOC(=O)c1cc2ccccc2oc1=O 2007503 WEIHNHDMVCFGRA-UHFFFAOYSA-N 232.235 2.360 0 40 BEAB COc1cc2c(cc1OC)CN(C)[C@H](C)C2 2034004 FPKSKXFZCSATTG-SECBINFHSA-N 221.300 2.080 0 40 BEAB O=C(O)c1ccc([C@H](O)c2ccccc2)cc1 2043250 NXWZDRGHHRXEGE-CYBMUJFWSA-N 228.247 2.467 0 40 BEAB CCCONC(=O)Nc1ccccc1C 2699766 SPROVRAJPAMAIF-UHFFFAOYSA-N 208.261 2.458 0 40 BEAB CC(C)=C1C=C([N+](=O)[O-])C(=C(C)C)S1(=O)=O 5377768 KYIHQQSOTQRJTO-UHFFFAOYSA-N 243.284 2.163 0 40 BEAB CC[C@H](C)N1C(=O)c2ccccc2C1=O 5924886 ZTXOTHWCDVUQRM-QMMMGPOBSA-N 203.241 2.081 0 40 BEAB CC(=O)c1c(C)nc2cc(F)ccc2c1N 8731903 GWTKCQHLFYQDDU-UHFFFAOYSA-N 218.231 2.467 0 40 BEAB CC[C@H](Cc1ccccc1OC)C(=O)O 11976770 LFVQHXJQEVHTDE-SECBINFHSA-N 208.257 2.349 0 40 BEAB CN(Cc1ccccc1)C(=O)C1CCC1 12976592 BUHGCYIBDXXQOZ-UHFFFAOYSA-N 203.285 2.445 0 40 BEAB CC(C)CNC(=O)Cc1c[nH]c2ccccc12 12976842 FTYLSTVDIKNOQM-UHFFFAOYSA-N 230.311 2.483 0 40 BEAB CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 13626795 IOIRFMFLBVQMHI-UHFFFAOYSA-N 248.326 2.373 0 40 BEAB CC(=O)[C@H]1CC(C)=NN(c2ccccc2)C1=O 14001457 NMOBMVCHSVNNLO-GFCCVEGCSA-N 230.267 2.004 0 40 BEAB CCOC(=O)[C@H](C)C(=O)c1cccs1 15781679 AXWZJOZJORQOKU-SSDOTTSWSA-N 212.270 2.130 0 40 BEAB in-vitro Cc1ccc(N/C=C/c2cc[n+]([O-])cc2)nc1 17429479 PUOHODOHCWFMNW-QPJJXVBHSA-N 227.267 2.106 0 40 BEAB Cc1cc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 19566698 DTWHVABTAVGVOX-QJPTWQEYSA-N 247.342 2.161 0 40 BEAB O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)ccc21 22127160 ZCVVEBSDEUINLS-LLVKDONJSA-N 239.274 2.288 0 40 BEAB Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 27852440 PGNUEFAODSLBII-DDOQPMFUSA-N 249.310 2.285 0 40 BEAB CC[C@](O)(CN)c1ccc(Br)cc1 32101494 GNIAPFFSZYMARL-JTQLQIEISA-N 244.132 2.005 0 40 BEAB in-vitro CCCCNC(=O)NCc1cnc(C)s1 32648511 BXGXDJUDTHIFTL-UHFFFAOYSA-N 227.333 2.051 0 40 BEAB Nc1c(-c2ccccc2)nsc1C(=O)O 33268039 RFVQCWQMQWFMPC-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB in-vitro CCOC(=O)[C@@H](N)Cc1cccc2ccccc12 33615154 GPRJPDYNXGVBNC-AWEZNQCLSA-N 243.306 2.273 0 40 BEAB Cc1cc2ncn(C[C@@H](C)C(=O)O)c2cc1C 35756759 MMEILEAEOHKIIF-SNVBAGLBSA-N 232.283 2.374 0 40 BEAB CC[C@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C 37002196 QGTMAQOCPCVLBK-KWQFWETISA-N 240.372 2.279 0 40 BEAB COC(=O)c1cc(-c2ccc(F)cc2F)n[nH]1 38478429 RSBQNCZUYMHNEP-UHFFFAOYSA-N 238.193 2.142 0 40 BEAB CC(C)N1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1 39276358 LURNCVQHNOOYJK-DGCLKSJQSA-N 247.294 2.069 0 40 BEAB OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2 39392868 ZAXYAEZKNZBVTK-FUNVUKJBSA-N 237.730 2.442 0 40 BEAB CCC(=O)Nc1ccnn1C1CCCC1 44869386 YGNDIOXNYDGSCV-UHFFFAOYSA-N 207.277 2.347 0 40 BEAB O=c1cc(Br)ccn1C(F)F 59581647 XSFOCSAUJRYYKW-UHFFFAOYSA-N 224.004 2.006 0 40 BEAB CC(C)NC(=O)c1cc(-c2cccs2)n[nH]1 65415452 NWUGYTJGSWPKJU-UHFFFAOYSA-N 235.312 2.276 0 40 BEAB O=C(O)c1cncc(-n2ncc3ccccc32)c1 67856278 LDDPNUJIVJEZKB-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB Cn1c(-c2ccc(O)cc2)[n+](C)c2ccccc21 71255327 DDNCIKOCUNEWKU-UHFFFAOYSA-O 239.298 2.375 0 40 BEAB CC[C@@H](N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208756 KLYQWOXEDGDKEN-WDEREUQCSA-N 242.363 2.371 0 40 BEAB CN1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215907 ZODYVBOJYKCRPQ-CYBMUJFWSA-N 231.343 2.449 0 40 BEAB CSc1cnn(-c2ccccc2)c1N 74941937 AENOHJSNAVEPLG-UHFFFAOYSA-N 205.286 2.176 0 40 BEAB in-vitro O=C1C[C@H](C(=O)O)[C@H](c2cccc(Cl)c2)O1 85394757 GUKUDXDKOLRVKP-WPRPVWTQSA-N 240.642 2.029 0 40 BEAB C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2CO)C1 89927296 XMITXFPBNXTSBL-FVCCEPFGSA-N 211.349 2.316 0 40 BEAB C[C@@H](CNc1ncccc1F)Cn1cccn1 91432206 OHFRQMXZSSHRKX-JTQLQIEISA-N 234.278 2.165 0 40 BEAB C[C@H](C(N)=O)N1CCC(=Cc2ccccc2)CC1 95408349 KCTMONRZRFGUPB-GFCCVEGCSA-N 244.338 2.040 0 40 BEAB CCO[C@H]1COC2(CCN(CC3CC3)CC2)C1 96048116 VKQHZEVAOQSGGB-CYBMUJFWSA-N 239.359 2.056 0 40 BEAB C[C@H]1COC2(CCN(C(=O)c3ccoc3)CC2)C1 96072956 OZSVIEQCGYUIMQ-LLVKDONJSA-N 249.310 2.311 0 40 BEAB C[C@H]1CCNc2nc(C(F)(F)F)nc(O)c21 96517537 FXENXOFXBHBPBQ-BYPYZUCNSA-N 233.193 2.120 0 40 BEAB C[C@@]1(CO)CCC[C@H]1Nc1ccccn1 98013798 DOBSILVWMKGTTF-PWSUYJOCSA-N 206.289 2.045 0 40 BEAB CCOC(=O)/C(=C\N(C)C)c1ccc(OC)cc1 100036012 NARLTIVUIJDWCO-RAXLEYEMSA-N 249.310 2.161 0 40 BEAB CCC1=NN(c2ccccc2F)C(=O)C1 100406991 VCCAATBAQVGHGD-UHFFFAOYSA-N 206.220 2.328 0 40 BEAB C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 108325437 BSFLWGWMCXAUIN-YNEHKIRRSA-N 237.343 2.105 0 40 BEAB CS(=O)(=O)Nc1ccccc1-c1ccncc1 130067083 CMBQHYPKNXJEFM-UHFFFAOYSA-N 248.307 2.120 0 40 BEAB CC(C)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 147072598 FJHPEVGAZVQMHL-VHSXEESVSA-N 229.320 2.013 0 40 BEAB O=c1ccc(F)cn1Cc1cnc(Cl)s1 190749766 MWHXHWRYRZZDSQ-UHFFFAOYSA-N 244.678 2.146 0 40 BEAB C[C@H](NN)c1cc(F)c(F)cc1Cl 199535545 KNWCRCDRMAEUQX-BYPYZUCNSA-N 206.623 2.143 0 40 BEAB NNCCCc1ccc(Cl)cc1Cl 199542452 PBKRVEHHIORPHB-UHFFFAOYSA-N 219.115 2.389 0 40 BEAB COc1cc(F)c(C2CCNCC2)c(F)c1 213148180 ABAIWLDKVHGUOH-UHFFFAOYSA-N 227.254 2.440 0 40 BEAB CN(C)CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 218004555 WHXFRZFXDOAEFB-UHIISALHSA-N 239.359 2.306 0 40 BEAB O=C(NCc1csc(C2CCC2)n1)C1CC1 227154200 WGXQEGQWYUUADJ-UHFFFAOYSA-N 236.340 2.437 0 40 BEAB CCN[C@H]1CCOC2(CCN(C(C)C)CC2)C1 257258155 KSORXCBAQRBFGZ-ZDUSSCGKSA-N 240.391 2.018 0 40 BEAB CCN1C[C@H](C)N(CCOCC(C)C)C[C@@H]1C 330032659 QJWPVOFOEUMKHM-KBPBESRZSA-N 242.407 2.074 0 40 BEAB Cc1nc(OC[C@H]2CCCO2)sc1C 585652044 KHGKYNBULSSLMO-SECBINFHSA-N 213.302 2.318 0 40 BEAB C[C@H]1C[C@H](OC(=O)CCN2CC2)CC(C)(C)C1 1614822 FIZYQWPPYSBTPE-RYUDHWBXSA-N 239.359 2.450 0 40 BEAB CC1=N/C(=C/c2cccc(F)c2)C(=O)O1 1624770 HMKQATJQXAJREQ-UXBLZVDNSA-N 205.188 2.142 0 40 BEAB COCCOCc1cc2c(cc1Cl)OCO2 1656224 UGZGANVCLLHORL-UHFFFAOYSA-N 244.674 2.232 0 40 BEAB S=C1S[C@@H]2CCC[C@H]2N1C[C@@H]1CCCO1 6185685 WPFBZHYIGYZWGW-IVZWLZJFSA-N 243.397 2.420 0 40 BEAB NC(=O)c1ccc(OC(=O)c2ccccc2)cc1 7690249 WOHKWNGVDNYPAO-UHFFFAOYSA-N 241.246 2.005 0 40 BEAB C[C@@]12CC[C@@H](CC1=O)[C@@]2(C)CCC(=O)O 8535604 YMCGZMYNZAJAAY-XXILOJSOSA-N 210.273 2.247 0 40 BEAB CCCN1C(=O)C(=O)c2cc(C)cc(C)c21 11692648 LTPRWUGTSUTAOM-UHFFFAOYSA-N 217.268 2.243 0 40 BEAB CC(=O)c1nnn(-c2cccc(C)c2)c1C 11888167 QZSBLTPNFOCBRS-UHFFFAOYSA-N 215.256 2.087 0 40 BEAB CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1C 11959653 WLLALGBZTDZJBW-SKDRFNHKSA-N 220.316 2.307 0 40 BEAB in-vitro CC(C)c1cc([C@@H]2CCCN2CC(=O)O)on1 12397337 HOPSMPWPNXXOQI-JTQLQIEISA-N 238.287 2.020 0 40 BEAB COCc1cccc(C(=O)Nc2ccncc2)c1 17585565 ZLCKZNMVWBCGDP-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CC(C)(C)CN1CC[C@@H]2NC(=O)CCCC[C@H]21 19695461 YUNFZHDBWNQAEN-NWDGAFQWSA-N 238.375 2.166 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(C)ccc1O 19837175 ZNPWZSLSDMFLIV-SECBINFHSA-N 207.273 2.229 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C 21938380 IIEYIRRJWJSYKQ-SMDDNHRTSA-N 246.354 2.020 0 40 BEAB CC[C@@H](c1ccc(F)cc1F)N1CCNCC1 22125658 HYMGMPAHOVBUMS-ZDUSSCGKSA-N 240.297 2.321 0 40 BEAB Cc1cc(S(=O)(=O)NC(C)C)ccc1Cl 32601723 DQYOLWMYKWSDQG-UHFFFAOYSA-N 247.747 2.335 0 40 BEAB CC(C)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1 32720025 AAPNMCRVFNQCKL-AWEZNQCLSA-N 247.338 2.407 0 40 BEAB O=C(O)c1csc(-c2ccc3c(c2)OCO3)n1 34006467 GYFWKVTWSJTRBO-UHFFFAOYSA-N 249.247 2.237 0 40 BEAB O[C@H]1CCCC[C@H]1N1CCc2sccc2C1 37491171 ALWUJNWBDWOKIF-NEPJUHHUSA-N 237.368 2.410 0 40 BEAB CON(C)C(=O)c1cc(SC)ccc1C 40490103 YYKSETGRFJREMN-UHFFFAOYSA-N 225.313 2.350 0 40 BEAB c1ccc2c(c1)ncn2C[C@@H]1CCCCN1 43494232 SNCQCPPARHBKAC-NSHDSACASA-N 215.300 2.178 0 40 BEAB CCc1nc2cc(NC(C)=O)ccc2o1 48801675 NYFSCRFPXWELFQ-UHFFFAOYSA-N 204.229 2.349 0 40 BEAB COc1ncccc1NC(=O)c1scnc1C 49055223 VRJYTDJYHXVXRZ-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB Cc1nc(C)n(-c2ccc(C=O)c(C)c2)n1 50575454 KVJDLYYDYIVVQL-UHFFFAOYSA-N 215.256 2.005 0 40 BEAB O[C@H]1CCCC[C@H]1NC1Cc2ccccc2C1 51996517 JCGSQQHJICCUPA-CABCVRRESA-N 231.339 2.047 0 40 BEAB O=C([C@@H]1CCCO1)N1CCSc2ccccc21 57337818 IFYUPKGAVRLPJT-NSHDSACASA-N 249.335 2.304 0 40 BEAB Cc1c(CC(=O)O)c2ccccc2n1C 71508609 BABSBBRYDTZWQB-UHFFFAOYSA-N 203.241 2.114 0 40 BEAB CCN(C)C(=O)N[C@@H](C)Cc1ccccc1F 71892305 DRIHCLVRQKMGTD-JTQLQIEISA-N 238.306 2.418 0 40 BEAB CONC(=O)NCC[C@H]1CCC[C@H](C)C1 71909180 YJJKEYWOCMMEGS-VHSXEESVSA-N 214.309 2.063 0 40 BEAB FC(F)(F)C1=NO[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 72207127 KAAUCJZOUPNSRN-XZBKPIIZSA-N 205.179 2.350 0 40 BEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C(C)(C)C 72208913 VUWSUDMNWJUZAL-RKDXNWHRSA-N 230.352 2.273 0 40 BEAB O=C(O)Cc1coc2c(F)cc(F)cc12 75394000 LILDWZWBKVFDFO-UHFFFAOYSA-N 212.151 2.338 0 40 BEAB COC(=O)c1cc(Cl)c(OC)cc1OC 82724353 CYBZPSKAYVKEEA-UHFFFAOYSA-N 230.647 2.144 0 40 BEAB O=C(O)c1cc(/C=C/c2ccccc2)ncn1 84517632 SMLWZSNDCJIJHD-VOTSOKGWSA-N 226.235 2.345 0 40 BEAB COC(=O)CCc1ccc(OC(C)C)cc1O 85393422 ZMNPMIFUPMGBKV-UHFFFAOYSA-N 238.283 2.285 0 40 BEAB O=C(C1CCOCC1)N1CCC[C@@H]2CCC[C@H]21 89817853 NVBOLDBZOAOVLV-WCQYABFASA-N 237.343 2.204 0 40 BEAB O=C(c1ccncc1)N1C[C@@H]2CC=CC[C@H]2C1 89884915 FIIULBQPRHNAFY-STQMWFEESA-N 228.295 2.120 0 40 BEAB COC(=O)/C=C/CC[C@H]1CCCCC1=O 91251957 FGUOUYUAAAKNPS-NAZIUFLLSA-N 210.273 2.255 0 40 BEAB O=C1NC2(CCCCC2)C(=O)Nc2ccccc21 94419921 RJHIKRCZAYTASA-UHFFFAOYSA-N 244.294 2.071 0 40 BEAB in-vitro C[C@H](O)[C@H](C)SCc1nccn1C(F)F 96430308 BFGLPRYCFJTQGJ-BQBZGAKWSA-N 236.287 2.281 0 40 BEAB Cc1occc1SCCCCC(N)=O 131467583 BGRSIXYZDKLNNY-UHFFFAOYSA-N 213.302 2.336 0 40 BEAB CC(C)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 197185073 ZUYPESQMYNAILG-ZNMIVQPWSA-N 234.387 2.225 0 40 BEAB CNCC[C@@H](CCO)c1ccc(C)cc1 217800064 CVHZNJLZMGPNGX-ZDUSSCGKSA-N 207.317 2.071 0 40 BEAB CCO[C@@]1(C)O[C@@H]2O[C@@H](CC)CC[C@H]2O1 247996615 DAZPUNPPZZPTGQ-ZRUFSTJUSA-N 216.277 2.027 0 40 BEAB Cc1c(CNC[C@@H]2CCCO2)cnn1C(C)C 256050247 DHFSCNMCONJDPN-ZDUSSCGKSA-N 237.347 2.041 0 40 BEAB Cc1cc2nnn(C(=O)C(C)C)c2cc1C 256051647 KAFJFCPMTNBHCI-UHFFFAOYSA-N 217.272 2.344 0 40 BEAB FC(F)(F)C1CCN(Cc2cnccn2)CC1 334558798 GGSIGCXFXFTMJI-UHFFFAOYSA-N 245.248 2.251 0 40 BEAB S=C(Nc1ccc2nccnc2c1)NC1CC1 409337331 ZOCRZLRVVQYJIC-UHFFFAOYSA-N 244.323 2.079 0 40 BEAB CC(=O)Nc1nnc(-c2ccc(C)cc2)s1 191539 PCYVZEHAEBIHRQ-UHFFFAOYSA-N 233.296 2.472 0 40 BEAB C1=CCC(CNc2ncnc3[nH]cnc23)=CC1 1728160 FBJAIBMUYCMTMC-UHFFFAOYSA-N 227.271 2.041 0 40 BEAB O=C(NCc1ccccn1)c1cccc(F)c1 5395297 NGORZQWWNOJHFP-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB CCCNS(=O)(=O)c1ccccc1Cl 7376508 QRABNUVCCKFRFC-UHFFFAOYSA-N 233.720 2.028 0 40 BEAB Cc1n[nH]c(=S)n1NCc1ccccc1F 7601249 AKLMOZHCNLFPFY-UHFFFAOYSA-N 238.291 2.132 0 40 BEAB Cc1cc(C)cc(CN(C)CC(=O)NC2CC2)c1 7792244 AVCQRWYJFXUARO-UHFFFAOYSA-N 246.354 2.014 0 40 BEAB CC(=O)Nc1ccc2oc(C(=O)O)c(C)c2c1 11764697 LFXBOVUSBCSSQA-UHFFFAOYSA-N 233.223 2.398 0 40 BEAB CCc1cc(=O)[nH]c(Nc2ccccc2)n1 11903418 PYTGHCZNWANXHB-UHFFFAOYSA-N 215.256 2.076 0 40 BEAB Cc1cccc(/C=C2\SC(=O)NC2=O)c1 12343955 TURIRIIGEMCNAC-TWGQIWQCSA-N 219.265 2.319 0 40 BEAB C[C@@H](NC(=O)c1cccnc1)C(C)(C)C 16957970 UWGJBMHDCRFLHZ-SECBINFHSA-N 206.289 2.246 0 40 BEAB NC(=S)Nc1cccc2cc(O)ccc12 20154609 QAFODZSCZIVWOH-UHFFFAOYSA-N 218.281 2.201 0 40 BEAB O=C(c1cccc2cccnc12)N1CCCC1 21003974 QJBVEAFDZGNQOA-UHFFFAOYSA-N 226.279 2.471 0 40 BEAB CCNC(=O)[C@@H](CC)Oc1ccc(F)cc1 22509806 OXBGUELUCVOQTJ-LLVKDONJSA-N 225.263 2.119 0 40 BEAB OCc1cc(-c2ccc(F)cc2F)on1 26421015 ULPAADJUUMKRRS-UHFFFAOYSA-N 211.167 2.112 0 40 BEAB in-vitro CC(C)n1cnnc1S[C@@H]1CCCCC1=O 32669898 HWMJDZZHDFAHBK-SNVBAGLBSA-N 239.344 2.463 0 40 BEAB O=C(CCC1CCCCC1)N1CCC[C@H](O)C1 32720065 QZGGMAZEEBPUSW-ZDUSSCGKSA-N 239.359 2.330 0 40 BEAB CCOC(=O)c1c(C)cc(C(F)(F)F)nc1O 34213617 UIGDRIATKCVYNJ-UHFFFAOYSA-N 249.188 2.291 0 40 BEAB COCCNC(=O)Nc1ccc(F)c(Cl)c1 36179414 NUTRBVBKXJKJMD-UHFFFAOYSA-N 246.669 2.247 0 40 BEAB CCOC(=O)C1(C(=O)OCC)CC=C(Cl)C1 36373869 GOBXMKQXTWZEJX-UHFFFAOYSA-N 246.690 2.016 0 40 BEAB CN(C)Cc1c(N)cccc1Br 37401838 RVKPYBUBAMQVFV-UHFFFAOYSA-N 229.121 2.093 0 40 BEAB Cc1ccc(C(C)C)cc1S(=O)(=O)O 39214272 OORBHYFTTSLSRU-UHFFFAOYSA-N 214.286 2.365 0 40 BEAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCCCC1 40007863 RDHQNZHPEKEPFR-STQMWFEESA-N 238.375 2.262 0 40 BEAB Cc1nc(Nc2ccccn2)sc1C(=O)O 40545623 QPCMHXYMIJBDOL-UHFFFAOYSA-N 235.268 2.288 0 40 BEAB COc1cc(Cl)cc(/C=C/C(=O)O)c1OC 44201249 MAKGDLCPMVXERQ-ONEGZZNKSA-N 242.658 2.455 0 40 BEAB Cc1nc(CC(=O)Nc2cccnc2)cs1 48340395 CTMGVQHRMYMADN-UHFFFAOYSA-N 233.296 2.028 0 40 BEAB CCNC(=O)N(C)Cc1ccc(OCC)cc1 57573329 ISLMUCYRMUALBY-UHFFFAOYSA-N 236.315 2.247 0 40 BEAB Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1 63754598 VROODRIFRTVJBG-UHFFFAOYSA-N 246.354 2.225 0 40 BEAB Cc1cccc2c3c(n(C)c12)C(=O)OCC3 68605317 LORMFARPZOWCKY-UHFFFAOYSA-N 215.252 2.200 0 40 BEAB c1cnc2ccc(C[C@H]3CCNC3)cc2c1 70627755 GGKQIJRCZXSVTK-GFCCVEGCSA-N 212.296 2.387 0 40 BEAB Cc1cc(Cl)nc([C@H]2CCCN(C)C2)n1 72343833 GERJVYMNXZRQFV-VIFPVBQESA-N 225.723 2.248 0 40 BEAB CC(C)[C@H](NC(=O)[C@H]1CCCO1)c1ccccn1 78826826 QYFRITYSPBBUFK-OLZOCXBDSA-N 248.326 2.074 0 40 BEAB COC[C@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 79115521 FPTWLSMDSHDHRM-MNOVXSKESA-N 248.326 2.355 0 40 BEAB CC(C)(C)OC(=O)N1CC(Nc2ccccn2)C1 83351164 XZFJVJRBBQFVTJ-UHFFFAOYSA-N 249.314 2.113 0 40 BEAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)C(C)C 95956565 HQYRWSSQIAMWTK-BDAKNGLRSA-N 237.347 2.291 0 40 BEAB CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H]2[C@H]2C=C[C@H]1C2 100811139 ODYDQOOXSVNMCJ-BHAYOYGOSA-N 218.296 2.396 0 40 BEAB CC[C@H]1CCCCN1CC(=O)N[C@H](C)CC 105885092 UDPDEPYVGYVUQA-NEPJUHHUSA-N 226.364 2.166 0 40 BEAB CCCCNC1=CC(=O)N(c2ccccc2)C1 217427068 BWSJMSQCBGMPJR-UHFFFAOYSA-N 230.311 2.307 0 40 BEAB N[C@@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1 252517003 YSKFCZIPASFMFO-IWSPIJDZSA-N 215.387 2.310 0 40 BEAB Cc1ccc([C@@](C)(O)C(F)(F)F)cn1 256055138 ZITPLJMUYMKRRE-MRVPVSSYSA-N 205.179 2.160 0 40 BEAB c1ccc(CN2CCNC[C@H]2C2CCC2)cc1 1536222083 WONPNNOADUCNLM-HNNXBMFYSA-N 230.355 2.261 0 40 BEAB CSc1nccc(N2C[C@H]3CCC[C@@H]3C2)n1 1889070478 YVAMKXDTUWEFJD-NXEZZACHSA-N 235.356 2.435 0 40 BEAB COc1ccccc1/C=C/C(=O)NCC(C)C 149587 RKPVWCBVVAKITD-CMDGGOBGSA-N 233.311 2.481 0 40 BEAB Cc1ccc2[nH]c(N3CCCC3)nc2c1 226437 YDXGSLFQTXMECW-UHFFFAOYSA-N 201.273 2.472 0 40 BEAB Fc1ccc(-c2cnc3n2CCOC3)cc1 245806 FXWUGFSROLIKIA-UHFFFAOYSA-N 218.231 2.219 0 40 BEAB O=C(COc1ccccc1)N1CCCCCC1 493352 OUEBKQCDJYSQHC-UHFFFAOYSA-N 233.311 2.468 0 40 BEAB Cc1ccc[n+](C[C@@H](O)c2ccccc2)c1 1666255 PMVWWEXJELUWNS-CQSZACIVSA-N 214.288 2.016 0 40 BEAB CC(=O)c1cnc(-c2ccccn2)s1 4050777 UCSRGSZNLJYPSP-UHFFFAOYSA-N 204.254 2.408 0 40 BEAB CCCCCCNC(=O)C(=O)Nc1ccccc1 4181213 PEWUKEVJYAADFC-UHFFFAOYSA-N 248.326 2.322 0 40 BEAB Cc1cc(O)ccc1C1=[N+](C)C[C@@H](C)S1 5190417 WFSDNAKTGJFGMO-SECBINFHSA-O 222.333 2.225 0 40 BEAB CC/C=C1/CC(=O)N(c2ccc(F)cc2)C1=O 5346717 ZANDVKXCTAAMMP-OQFOIZHKSA-N 233.242 2.425 0 40 BEAB CC1=NN(C(=S)Nc2ccc(C)cc2)C(=O)C1 6390753 RRBDGKVNCWHTKC-UHFFFAOYSA-N 247.323 2.300 0 40 BEAB CC(=O)NC(=S)Nc1ccc(F)c(Cl)c1 8555174 MVQKKPLAKBJKLL-UHFFFAOYSA-N 246.694 2.312 0 40 BEAB Cc1cccn2c(C(=O)C(F)(F)F)cnc12 12616101 BWVKISIXJGQUMT-UHFFFAOYSA-N 228.173 2.388 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1C 13024114 SCCZZHWSMQEVST-BDAKNGLRSA-N 235.331 2.312 0 40 BEAB c1ccc2c(-c3nn4cnnc4s3)c[nH]c2c1 13681064 ZIHMVNOMVNGDQS-UHFFFAOYSA-N 241.279 2.334 0 40 BEAB CC(C)c1ccc(N2C[C@H](CN)OC2=O)cc1 19669076 VXJQJZUNTZCMJN-LBPRGKRZSA-N 234.299 2.094 0 40 BEAB CCCCN(C)c1ncccc1C(=O)O 19844928 RUGVEAAWMJLLIV-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB C[C@@H]1CN(c2cnc3ccccc3n2)C[C@@H](C)O1 26134618 PRMYCHZGLZCUMI-GHMZBOCLSA-N 243.310 2.243 0 40 BEAB CC(C)N1CCN(c2ccccc2F)CC1 32753228 ZCQHZMDJLIRJMQ-UHFFFAOYSA-N 222.307 2.356 0 40 BEAB CCOCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 32819545 FPCXYDXSFSIYAL-RYUDHWBXSA-N 225.332 2.204 0 40 BEAB COc1ccc(OCCCCC(=O)O)cc1 34957351 HFDHPEFKVYEQKK-UHFFFAOYSA-N 224.256 2.329 0 40 BEAB in-vitro O=C1COc2c(Br)cc(F)cc21 35652510 JWXQMWXGZMDXGI-UHFFFAOYSA-N 231.020 2.163 0 40 BEAB CC(C)CCN1C(=O)[C@H](N)c2ccccc21 37052187 HVKCLARFLHOYSW-GFCCVEGCSA-N 218.300 2.079 0 40 BEAB O=C1C[C@@H]2CC[C@H]1N2C(=O)OCc1ccccc1 39121999 NGLKGXZAHXPAKA-NWDGAFQWSA-N 245.278 2.129 0 40 BEAB CCCN(CCC)C(=O)Cc1c(C)noc1C 40461181 AAMCBXAXIRTGFH-UHFFFAOYSA-N 238.331 2.483 0 40 BEAB CCN(Cc1cccs1)[C@@H](C)C(=O)O 42487893 BIDFHZIGSAERHP-QMMMGPOBSA-N 213.302 2.043 0 40 BEAB COc1cc(OC)cc([C@H](O)C(F)(F)F)c1 43367953 WYAXGRFRCSESBP-VIFPVBQESA-N 236.189 2.300 0 40 BEAB Cc1nnc([C@H]2CCN(Cc3ccccc3)C2)o1 49169159 LBZYNTQTLNWGDW-ZDUSSCGKSA-N 243.310 2.368 0 40 BEAB biogenic,in-vitro COc1cccc(NCc2cnccn2)c1 54765539 ISMQYTIMVUYFDZ-UHFFFAOYSA-N 215.256 2.097 0 40 BEAB c1nc(N[C@H]2CCCOC2)c2ccsc2n1 71014520 IUTOYZAVXKNTOO-QMMMGPOBSA-N 235.312 2.282 0 40 BEAB CCn1nccc1CNc1ncccc1C 72226662 LRUKDZVXCLSHFL-UHFFFAOYSA-N 216.288 2.219 0 40 BEAB Cn1cc(N2CCC[C@@H](c3ccccn3)C2)cn1 72357307 ZQPUDVQUTSUIPU-GFCCVEGCSA-N 242.326 2.199 0 40 BEAB c1cncc(CN2CCO[C@H]3CCCC[C@@H]32)c1 89794018 FROCHSJPEKNJHY-KBPBESRZSA-N 232.327 2.225 0 40 BEAB O=C(c1ccncc1F)N1C[C@@H]2CCCC[C@H]2C1 89884889 QHFNMLSCKTZUKM-QWRGUYRKSA-N 248.301 2.483 0 40 BEAB CO[C@H]1CCC[C@@H](NCc2c(C)noc2C)C1 92339519 OJAQZWDGXBCSQE-NEPJUHHUSA-N 238.331 2.339 0 40 BEAB Cc1ccsc1[C@H](O)c1cccn1C 95727700 RNAYOFYTOUZMMH-SNVBAGLBSA-N 207.298 2.477 0 40 BEAB Cc1cc(C(F)(F)F)cc(C(=O)O)n1 95763856 YCWCFDBJXWABJJ-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB CC(C)(C)OCCN1CCC[C@@H]1C(C)(C)O 95978834 JSLGENZVILOKGI-LLVKDONJSA-N 229.364 2.037 0 40 BEAB Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)c(C)o1 96051054 QZCYYMIQEONZEK-AWEZNQCLSA-N 249.310 2.149 0 40 BEAB C/C=C/C=C/C(=O)Oc1c(C)nn(C)c1C 96424020 AVSNYHLMAVSXQY-BSWSSELBSA-N 220.272 2.075 0 40 BEAB COc1ccc(OC(=O)[C@H]2C[C@@H]2C)cc1OC 96442983 KDZZEDKSRRAHHO-WPRPVWTQSA-N 236.267 2.265 0 40 BEAB Cc1cc(S[C@@H]2CCO[C@H]2C)ncn1 96484038 OUSLERQSKDTGFE-DTWKUNHWSA-N 210.302 2.055 0 40 BEAB CCN1CCC[C@H]1CNCCCC1CC1 96528426 XHBNKOVUKJPPPU-ZDUSSCGKSA-N 210.365 2.251 0 40 BEAB C[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 97097332 FOQYHWQHPGHJLH-YUTCNCBUSA-N 247.338 2.067 0 40 BEAB O=Cc1c[nH]c2cncc(Br)c12 101200812 CEVRUOHFEJBRBS-UHFFFAOYSA-N 225.045 2.138 0 40 BEAB in-vitro NN[C@H](c1ccncc1)c1ccc(Cl)cc1 161808815 CLQYCIOMBCTWAA-LBPRGKRZSA-N 233.702 2.288 0 40 BEAB C[C@H](CC(N)=O)N[C@H]1CC[C@@H](C)c2ccccc21 195547096 IBTZBNVEJUCUQT-GYSYKLTISA-N 246.354 2.479 0 40 BEAB O=C(NCC(F)(F)C(F)F)[C@@H]1CC=CCC1 195580122 NMCGRVWYVCZENV-SSDOTTSWSA-N 239.212 2.359 0 40 BEAB Sc1ncnc(Cl)c1-n1cccc1 217467867 DIUJBTIMEUIGHV-UHFFFAOYSA-N 211.677 2.209 0 40 BEAB Cn1cc(-c2ccc(Cl)cc2O)cn1 218801719 VTKFSQYEWKNYKE-UHFFFAOYSA-N 208.648 2.446 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1 218844471 SILOSBBKHXSDGL-CHWSQXEVSA-N 220.291 2.156 0 40 BEAB CCc1c(Br)cc(C=O)n1C 225304424 SMJVACKGEMXDPG-UHFFFAOYSA-N 216.078 2.163 0 40 BEAB C[C@H](O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 242575008 NOLYNJCKOXZVCZ-BIMULSAOSA-N 205.301 2.237 0 40 BEAB Cc1cc(C(=O)NCC(F)(F)F)c(C)o1 247819213 FUHISZQVUGZSTI-UHFFFAOYSA-N 221.178 2.189 0 40 BEAB C[C@H](c1noc(CCn2cccn2)n1)C1CC1 274156833 ZGGWIJNIXOIJMG-VIFPVBQESA-N 232.287 2.022 0 40 BEAB CCc1cccc(C(=O)CCC(=O)OC)c1 394662270 AGTJYIZIEXGDPT-UHFFFAOYSA-N 220.268 2.385 0 40 BEAB Brc1cnc2c(c1)C1(CC1)CN2 575441108 ZDBQKBAMZLXWBY-UHFFFAOYSA-N 225.089 2.301 0 40 BEAB NC1(c2ccc(Cl)cc2)CC2(C1)OCCO2 642882632 WPZNHDRIELGEJE-UHFFFAOYSA-N 239.702 2.031 0 40 BEAB C[C@H](C(=O)c1ccccc1)C(=O)N1CCCC1 387886 VRZLRZRYLBZQCQ-LLVKDONJSA-N 231.295 2.128 0 40 BEAB Clc1ccc(Cc2ccccn2)nn1 3052244 HOAXRKGLYLJRAW-UHFFFAOYSA-N 205.648 2.116 0 40 BEAB in-vitro COC(=O)/C=C/c1cccc(/C=C/C(=O)OC)c1 3137662 OYTKVKMZSNSYBA-CDJQDVQCSA-N 246.262 2.059 0 40 BEAB Cc1c(Cl)cccc1N1CCNCC1 3716187 XSWFFTOMNHATMS-UHFFFAOYSA-N 210.708 2.058 0 40 BEAB C[C@]1(O)Cc2cccc(Br)c21 3848067 IPHJYIXICGXZSG-VIFPVBQESA-N 213.074 2.213 0 40 BEAB biogenic Cc1[nH]c2nc3ccccc3n2c(=O)c1Cl 6472782 CFBYYBGVPCKRAC-UHFFFAOYSA-N 233.658 2.138 0 40 BEAB CN(CC1CCCCC1)C(=O)c1cnccn1 12951533 OCDFAQNRTCHHIW-UHFFFAOYSA-N 233.315 2.129 0 40 BEAB CCn1c2c(c(C)[n+]1CC)C(=O)CC(C)(C)C2 13110935 RIZQPVNERRRIFD-UHFFFAOYSA-N 235.351 2.279 0 40 BEAB Cc1ccc(O[C@@H]2CCCNC2)cc1C 14631702 ZOAYYILFLICKSD-CYBMUJFWSA-N 205.301 2.434 0 40 BEAB COc1ccc(-n2ncc3c2CCCC3=O)cc1 15106135 LOYJCZAMYSLPAW-UHFFFAOYSA-N 242.278 2.400 0 40 BEAB S=C(Nc1ccccc1)n1cccn1 16490129 KGBUDVDWZNIBMH-UHFFFAOYSA-N 203.270 2.128 0 40 BEAB O=C(O)Cc1ccccc1N1CCCCC1 20440439 COWNBLYFQSSASM-UHFFFAOYSA-N 219.284 2.304 0 40 BEAB Cc1ccc(C(=O)Nc2cccc(C)n2)cn1 23441060 JUGJLRCJYYZQCJ-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Cn1cccc1C(=O)NCc1cccs1 32994401 DBMQBHMOENWVRA-UHFFFAOYSA-N 220.297 2.017 0 40 BEAB CCC[C@@H]1NCCN(C(=O)OC(C)(C)C)[C@@H]1C 34781549 OEBUSDBRXUSYID-MNOVXSKESA-N 242.363 2.384 0 40 BEAB CCOCCNCc1ccc(CC)cc1 36228627 QBVOZZXMNBOJBW-UHFFFAOYSA-N 207.317 2.375 0 40 BEAB CN[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1 37181073 QSWHCDSVKKADMG-MRVPVSSYSA-N 233.189 2.051 0 40 BEAB c1ccc2c(c1)CCN2CC[C@@H]1CCCNC1 42783381 QFLPGXCIQLJLLH-ZDUSSCGKSA-N 230.355 2.439 0 40 BEAB CCOc1ccccc1[C@@H](C)N[C@H](C)C(=O)O 49354293 JWIDPYZBSDOXSI-NXEZZACHSA-N 237.299 2.209 0 40 BEAB COc1cccc(NC(=O)N(C)C2CC2)c1 49516461 NJJFKBXMBMPGOP-UHFFFAOYSA-N 220.272 2.321 0 40 BEAB CCCC[C@@H](CC)C(=O)N1CCNC[C@H]1C 54369955 UZXUDMYHJNOLBS-VXGBXAGGSA-N 226.364 2.023 0 40 BEAB Cc1cc(C(=O)NCc2cc(C)oc2C)no1 70640332 GZMVJYAAGLGJAP-UHFFFAOYSA-N 234.255 2.123 0 40 BEAB COC(=O)c1ccc(OCc2ccccc2)nc1 72225383 KBNIIOYXBJNXQT-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB CCSCCS(=O)(=O)c1ccccc1 75582430 SNXSANKVZCNJPU-UHFFFAOYSA-N 230.354 2.213 0 40 BEAB CCN(C(=O)NC1CC1)[C@H](C)c1ccncc1 79064570 BFXDAOCBUFRSIG-SNVBAGLBSA-N 233.315 2.337 0 40 BEAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCNC1 79437771 USBGEPBAMFJQED-CYBMUJFWSA-N 248.326 2.007 0 40 BEAB Cc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 82320998 AQEINNCCKCLQIZ-GFCCVEGCSA-N 232.327 2.275 0 40 BEAB CCCC1(CNC(=O)[C@H](C)OC)CCC1 84740547 OUDIYOULXWPCHA-JTQLQIEISA-N 213.321 2.108 0 40 BEAB Brc1cncnc1Br 85466262 JHGQKEMDHLJRRC-UHFFFAOYSA-N 237.882 2.002 0 40 BEAB COCCC1(c2nc(C3CC3)no2)CCC1 89410136 WJEPOOXPTKHMJD-UHFFFAOYSA-N 222.288 2.405 0 40 BEAB O=C(c1ccoc1)N1C[C@H]2CC=CC[C@@H]2C1 89885119 FHRUAQKDNDYZJU-GHMZBOCLSA-N 217.268 2.318 0 40 BEAB CCCO[C@@H]1CCCN(c2nnc(CC)o2)C1 91625763 RKRCTLDGGPXRLJ-SNVBAGLBSA-N 239.319 2.027 0 40 BEAB CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 95403741 PLIQDWNLSXRBFY-ZDUSSCGKSA-N 246.354 2.129 0 40 BEAB Cc1nc(SCc2ccon2)[nH]c1C 96136914 QAFMLJJATBYTDV-UHFFFAOYSA-N 209.274 2.307 0 40 BEAB CC[C@@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 97016584 IDBRGSVLGCFHIA-XJFOESAGSA-N 223.360 2.482 0 40 BEAB O=C1Cc2cc(Br)c(F)cc2N1 97455207 UVQWHJXRXKNXGK-UHFFFAOYSA-N 230.036 2.083 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@H]1C[C@@]12CCCOC2 98213868 QFLHGDYACTVNSW-JOYOIKCWSA-N 227.304 2.080 0 40 BEAB COc1ccc(CN[C@H]2CC[C@H](N)CC2)cc1 100173888 PLYSNGIYXAKMAZ-BETUJISGSA-N 234.343 2.055 0 40 BEAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@H]1N3)O2 100227476 HYWWUAGPPPYSGD-LKTVYLICSA-N 243.306 2.223 0 40 BEAB CCn1cc(Cc2cccc(C)c2)nc1N 199550183 WRWNCDKIGFDDCA-UHFFFAOYSA-N 215.300 2.384 0 40 BEAB CCOC(=O)CCc1ccc(C)c(OC)c1 199566322 CEYVFTRIHOWJCC-UHFFFAOYSA-N 222.284 2.499 0 40 BEAB Cc1cc2c(cc1C)[C@@]1(CCO2)C[C@@H]1C(=O)O 217037341 SRXIHLBTCDMUHL-BXUZGUMPSA-N 232.279 2.428 0 40 BEAB CC1(C)[C@H]2CC[C@]1(C)[C@@H]([C@@H](CN)CO)C2 225467374 OCNAGPQNZVNTGV-MEWQQHAOSA-N 211.349 2.016 0 40 BEAB CCNCCO[C@@H]1CC[C@@]12CCC21CC1 242437345 BZVWUBCXQPNHJR-DGCLKSJQSA-N 209.333 2.335 0 40 BEAB CC(C)CCNCc1ccn(C(F)F)n1 256051471 JHBIVIQLCWHSMJ-UHFFFAOYSA-N 217.263 2.414 0 40 BEAB Clc1ccc2c(c1)[C@@]1(CCC2)COCCN1 306145355 CHVUFDDVZSOFML-CYBMUJFWSA-N 237.730 2.491 0 40 BEAB C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 370944452 JMHRJGZITWYYPI-QWHCGFSZSA-N 200.285 2.375 0 40 BEAB Cc1nccnc1OCC1CC(F)(F)C1 585651494 OQOXHVGIYRJANZ-UHFFFAOYSA-N 214.215 2.209 0 40 BEAB Cn1ncc(Cl)c1-c1nc(C2(C)CC2)no1 664899592 JAFGTANZGGPRCP-UHFFFAOYSA-N 238.678 2.175 0 40 BEAB CCN(C(=O)c1ccc2[nH]ccc2n1)C(C)C 906353723 QSUKOXJNCPEKFJ-UHFFFAOYSA-N 231.299 2.433 0 40 BEAB CC[C@H](C)N1CCC[C@@H](COc2ncccn2)C1 1849204552 XXJIFBNHHCLLBU-QWHCGFSZSA-N 249.358 2.366 0 40 BEAB COc1cc2c(OC(C)=O)cn(C)c2cc1OC 2032923034 NHAAIYYAJUUWLU-UHFFFAOYSA-N 249.266 2.121 0 40 BEAB c1ccc2c(c1)cnn1c(-c3ccncc3)nnc21 18011 OUKBOSDMCLJBCO-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB O=C1C=CC(=O)N1c1ccc2ccccc2c1 50805 ISPTVBCAVIHHEF-UHFFFAOYSA-N 223.231 2.269 0 40 BEAB COc1ccc(C[C@@H](O)CN2CCCCC2)cc1 53058 VHLSAKLWWYXBNZ-CQSZACIVSA-N 249.354 2.085 0 40 BEAB O=C1Nc2ccccc2N(O)N1c1cccnc1 184514 DVDHCYFCVDGYNK-UHFFFAOYSA-N 242.238 2.244 0 40 BEAB C[C@@H]1CC(C)(C)N[C@H]([C@@H]2CCC=CO2)O1 4803875 WEKSFFIEUWLTHJ-VWYCJHECSA-N 211.305 2.182 0 40 BEAB Cc1cc2ncn(CC(=O)NC(C)C)c2cc1C 12546054 GTUVBNVYTLQNPL-UHFFFAOYSA-N 245.326 2.178 0 40 BEAB Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2 12803938 ZFSVZZUTELKOKO-NKWVEPMBSA-N 219.210 2.499 0 40 BEAB Nc1ccccc1-c1nnc(S)s1 13133601 GQGQUZHRDAYNOF-UHFFFAOYSA-N 209.299 2.076 0 40 BEAB Cc1cccc[n+]1NC(=S)Nc1ccccc1 16928848 YUUGHESLMSQTDB-UHFFFAOYSA-O 244.343 2.223 0 40 BEAB Nc1ccc(-c2nc(-c3ccncc3)no2)cc1 19772027 XLEGHCYOYKRQGF-UHFFFAOYSA-N 238.250 2.381 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)Cc1ccsc1 32741262 QIEVYYLQLIJXFZ-WCBMZHEXSA-N 209.314 2.363 0 40 BEAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1N 37930158 SOESPZYCNIPWFV-SSDOTTSWSA-N 208.261 2.177 0 40 BEAB O=C(CC1CCCCC1)NCCCn1cccn1 40504455 HAMOHDWVFVVMLS-UHFFFAOYSA-N 249.358 2.360 0 40 BEAB Fc1cccc2c(NC3CC3)ncnc12 41471121 MIXDXWXDOWSYDO-UHFFFAOYSA-N 203.220 2.343 0 40 BEAB COc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O 43879006 MEKBVCIQBYRCMJ-VHSXEESVSA-N 248.278 2.379 0 40 BEAB CN1CCc2[nH]c3c(F)cccc3c2C1 44901842 FVEVVXZRMUMEOX-UHFFFAOYSA-N 204.248 2.295 0 40 BEAB c1ccc(-n2cnnc2)c(N2CCCCC2)c1 45958553 ZHYJPBGSXVCEHO-UHFFFAOYSA-N 228.299 2.258 0 40 BEAB FC(F)(F)[C@H]1CC[C@H](C(F)(F)F)N1 47845115 FZRPBFXDCLGOOC-QWWZWVQMSA-N 207.117 2.232 0 40 BEAB COC(=O)c1cccc2cccc(N)c12 57353819 UMKUBUYXIOIYJX-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB CCN(CC)c1ccc([C@@H]2C[C@@H]2N)cc1 62494915 GVMVJVUMXASALG-STQMWFEESA-N 204.317 2.347 0 40 BEAB CCCCNCc1cnc(NC(C)C)nc1 62717602 FZEFHAXQSDGART-UHFFFAOYSA-N 222.336 2.187 0 40 BEAB O=C(NCCCO)Nc1cccc2c1CCCC2 69514556 CWSQSLCQMXLMOY-UHFFFAOYSA-N 248.326 2.069 0 40 BEAB OC[C@@H](c1c(F)cccc1F)N1CCCC1 70452997 UUBWECOHULPWKF-NSHDSACASA-N 227.254 2.094 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@H]2CNCC[C@@H]2C)c1 71412720 ZZZQPTARSXWOBL-JSGCOSHPSA-N 246.354 2.031 0 40 BEAB COC(=O)c1ccc(F)cc1[C@H]1CCCN1 72202327 ZXVCRMOSHJSLAP-LLVKDONJSA-N 223.247 2.037 0 40 BEAB Cc1ccc(-c2cc(CCN)no2)c(C)c1 72220696 LFQMCCGKKZVJKF-UHFFFAOYSA-N 216.284 2.460 0 40 BEAB NC[C@@H]1CCCn2cc(-c3ccccc3)nc21 72226603 OJLKJKYJGPZOJI-LBPRGKRZSA-N 227.311 2.386 0 40 BEAB OCc1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1 72381179 LYMITMWLUAOKLN-AWEZNQCLSA-N 249.358 2.372 0 40 BEAB Cc1csc(C(=O)Nc2cnoc2)c1 75170801 UQDNFRKFXLPODK-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB Cc1cc(Br)cc(CO)c1F 75844578 UUZWWIGAJPWVLN-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB in-vitro C[C@@H](O)c1ccc([C@H]2CCCNC2)cc1 75905355 SICFBBWCTCWIKC-MFKMUULPSA-N 205.301 2.207 0 40 BEAB OCc1cc(F)c(OCC(F)F)c(F)c1 86894997 ZQIQHHSXMHLUDX-UHFFFAOYSA-N 224.153 2.101 0 40 BEAB Cc1cc(C(=O)O)ncc1C(F)(F)F 91252419 JPRAHAFOVUJDFW-UHFFFAOYSA-N 205.135 2.107 0 40 BEAB CCOC1(C(F)(F)F)CCC(N)CC1 95095626 YSBOKRFGJYINKH-UHFFFAOYSA-N 211.227 2.225 0 40 BEAB Cc1nc(N2CCCC2)c(Cl)cc1C(=O)O 95097600 IJDKFBIEEITMCW-UHFFFAOYSA-N 240.690 2.342 0 40 BEAB CCC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 96002812 HNPDGIIQOUCYDK-LLVKDONJSA-N 235.331 2.368 0 40 BEAB C[C@@H](CCO)Nc1cccc(C(F)(F)F)n1 96419437 JQSOKKHRWVUJDT-ZETCQYMHSA-N 234.221 2.283 0 40 BEAB CCCCOc1ccc(CNn2cnnc2)cc1 97673651 NAUXUFZFUTWMGC-UHFFFAOYSA-N 246.314 2.201 0 40 BEAB C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 108325428 BSFLWGWMCXAUIN-XQQFMLRXSA-N 237.343 2.105 0 40 BEAB C[C@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@@H]1C 195572896 MHPSOYMHARAAOD-RKDXNWHRSA-N 211.305 2.064 0 40 BEAB O=C1CCN[C@@H](c2ccc(Cl)cc2Cl)N1 209611880 CGGFDMBHRDTJDC-SNVBAGLBSA-N 245.109 2.102 0 40 BEAB COC(=O)c1cc2ncccc2c(Cl)n1 225736866 GHBULFLEAIVMSM-UHFFFAOYSA-N 222.631 2.070 0 40 BEAB CCCn1cc(NCc2ccn(CC)n2)cn1 256052335 MYBJJUSYHFIZNK-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB FC(F)(F)C1CCC2(CC1)OCCO2 306189164 HOCWBDHUMCHXEU-UHFFFAOYSA-N 210.195 2.482 0 40 BEAB Cc1ccc2c3c([nH]c2c1)CCN(C)C3 55147 KMOQRWCHESCPKL-UHFFFAOYSA-N 200.285 2.464 0 40 BEAB Clc1ccc(Nc2nnns2)cc1 529956 YFYMEIRRZFZFGO-UHFFFAOYSA-N 212.665 2.330 0 40 BEAB CC(C)(C)S(=O)(=O)c1sccc1C(=O)O 554154 AYXMMKXDUWYFKA-UHFFFAOYSA-N 248.325 2.019 0 40 BEAB O=C(O)/C=C/c1cc(OCc2ccccc2)no1 1394461 VLYANKFPZQEYKT-VOTSOKGWSA-N 245.234 2.351 0 40 BEAB COc1ccc(OC)c2c1C(=O)C[C@@H]2C 1743642 SUEAWVWSLMANOD-ZETCQYMHSA-N 206.241 2.394 0 40 BEAB Cc1cc2nc(SCCO)[nH]c2cc1C 3163549 RTOORXPBNQDKIP-UHFFFAOYSA-N 222.313 2.264 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21CCC(=O)O1 3845426 NAQMCLGSTRGHTN-AQUOVQTQSA-N 222.284 2.087 0 40 BEAB O=C(NC1CCCCCCC1)C1=COCCO1 4163992 DFJZPYUMIBIDLO-UHFFFAOYSA-N 239.315 2.104 0 40 BEAB OC[C@H]1CCCC[C@@H]1NCc1ccccc1 4975491 BRQFIORUNWWNBM-KGLIPLIRSA-N 219.328 2.327 0 40 BEAB Cc1cccnc1NC(=O)c1cccnc1 5337919 TXNHMEGVRORPLU-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCCNC(=O)c1cccc2cccnc12 12978856 RQXSORDIMJPFMY-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB CC(C)(C)CC(C)(C)N1CN=C(S)NC1 20421310 IRMLTMTWDPYZIH-UHFFFAOYSA-N 229.393 2.307 0 40 BEAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)CN1 22005481 BTQCNBXBTKAVFB-QMMMGPOBSA-N 229.201 2.309 0 40 BEAB in-vitro CC(C)(C)NC(=O)Nc1ccc2c(c1)CC(=O)N2 22506463 GXTUOJFIPMNOTE-UHFFFAOYSA-N 247.298 2.101 0 40 BEAB C=C/C=C/[C@@H]1OC[C@H](/C=C/C=C/C)[C@H]1O 31161276 DTLKTHCXEMHTIQ-DBCNHVMASA-N 206.285 2.237 0 40 BEAB biogenic,in-vitro C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 33000200 FXFOWOCDQSUHIW-SKDRFNHKSA-N 221.275 2.440 0 40 BEAB Cc1cccc(CO)c1I 34725901 NVDGNIBWPJTMDL-UHFFFAOYSA-N 248.063 2.092 0 40 BEAB CC(C)(C)C(=O)CSc1nncs1 35184814 PZBOTZGZOGFWPB-UHFFFAOYSA-N 216.331 2.245 0 40 BEAB CNCc1csc(Br)c1 35251423 UVWDMQNZHCWKDY-UHFFFAOYSA-N 206.108 2.230 0 40 BEAB in-vitro N[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1 36949518 UAGDEFASIGENRD-LSDHHAIUSA-N 227.307 2.290 0 40 BEAB in-vitro COC(=O)CCCCCCCCCN 39149192 SZGHOKWWURKSHG-UHFFFAOYSA-N 201.310 2.239 0 40 BEAB Cc1ccc2oc(=O)c(C(=O)NC(C)C)cc2c1 40952850 HRBIDMDBDNPSIQ-UHFFFAOYSA-N 245.278 2.240 0 40 BEAB Cc1cnc(C(=O)NCCCC2CCCC2)cn1 44633022 QHDCEHPXBYVYNI-UHFFFAOYSA-N 247.342 2.485 0 40 BEAB CC[C@@H](NC(=O)COC)c1ccc(C)cc1 44867148 GOQOOOLHLYKMGW-GFCCVEGCSA-N 221.300 2.209 0 40 BEAB COC(=O)CCN1CCC[C@@H]1c1cccs1 53399544 JPRSHRHMVWQQQF-SNVBAGLBSA-N 239.340 2.448 0 40 BEAB COc1cc2ncnc(SC)c2cc1OC 54363653 YHBIYCSSHXPEJY-UHFFFAOYSA-N 236.296 2.369 0 40 BEAB CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 58342436 XYXPDHMUPJSMRW-VHSXEESVSA-N 209.676 2.190 0 40 BEAB COc1ccc(OC)c([C@@H]2CCCN2C)c1 66695805 IJKQMSYACZBDOL-LBPRGKRZSA-N 221.300 2.471 0 40 BEAB Cc1nc(-c2ccsc2)ccc1C(N)=O 69462105 UHQXFHRPYVWXJL-UHFFFAOYSA-N 218.281 2.217 0 40 BEAB COc1cccc([C@@H](N)C(F)(F)F)c1OC 72195098 KYTLOKGMNHPXNX-SECBINFHSA-N 235.205 2.266 0 40 BEAB CN1CCCC[C@H]1c1cncc(Cl)n1 72344240 HOKLGQMSYIAMRK-VIFPVBQESA-N 211.696 2.287 0 40 BEAB O[C@H](C[C@H]1CCCCCN1)c1ccco1 75110615 LXUYRRUCGIREKG-GHMZBOCLSA-N 209.289 2.235 0 40 BEAB Cc1[nH]nc2c1C1(CCCCC1)CC(=O)N2 81213638 LECZXRXHELRVBO-UHFFFAOYSA-N 219.288 2.262 0 40 BEAB CCS(=O)(=O)[C@H](C)C(=O)c1ccc(C)cc1 81907143 FWTKJJVJRMGIOD-SNVBAGLBSA-N 240.324 2.001 0 40 BEAB Cc1noc(C)c1NC(=O)COc1ccccc1 84025532 XLKACRNWDAYNNJ-UHFFFAOYSA-N 246.266 2.309 0 40 BEAB CCOC(=O)c1[nH]c2cc(OC)ccc2c1C=O 89203420 VKVHNBAEBJPLJN-UHFFFAOYSA-N 247.250 2.166 0 40 BEAB C[C@H]1CCOCCN1c1nc2ccccc2o1 89269419 PQGRFCHVQMZGOE-JTQLQIEISA-N 232.283 2.443 0 40 BEAB Cc1cc(COc2ccc3cn[nH]c3c2)no1 89604950 AIOTYPIHKZNPOE-UHFFFAOYSA-N 229.239 2.438 0 40 BEAB CCNC(=O)[C@H](CC)OC1CCCCC1 89941876 PCLVLBRZIBRXLC-NSHDSACASA-N 213.321 2.250 0 40 BEAB CC(C)c1noc([C@H]2CCCNCC2)n1 95095438 DHRNPOAZRADQQG-VIFPVBQESA-N 209.293 2.050 0 40 BEAB C[C@@H]1CC[C@H](COC(=O)c2ccoc2)O1 95446122 FBKKYUZIFOVWBS-PSASIEDQSA-N 210.229 2.004 0 40 BEAB CC/C=C(\C)C(=O)NCc1ccc(N(C)C)nc1 96305657 JEJRPQGOPAOISF-IZZDOVSWSA-N 247.342 2.120 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1ccccc1C 97137056 ANFCVEBOUVRVBJ-SNVBAGLBSA-N 236.267 2.103 0 40 BEAB COCOc1ccc(Cl)c(OC)c1 169046043 BFWKMDWSJDOEJH-UHFFFAOYSA-N 202.637 2.331 0 40 BEAB COCCCSCC(=O)N1CCCC[C@@H]1C 187929133 ROVDPODVKKKGAM-NSHDSACASA-N 245.388 2.157 0 40 BEAB CC(C)=CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@H]12 228921281 KABWVFXAWUNQFO-ZYHUDNBSSA-N 220.316 2.286 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](N)C[C@@H](C(F)(F)F)C[C@H]2O1 252528002 DXOFCJWXXLMFIJ-JGKVKWKGSA-N 223.238 2.080 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@H]1c1ccc(F)cc1 257197972 OVVYFUJXQSDWMI-NEPJUHHUSA-N 237.274 2.039 0 40 BEAB CSCc1nc(-c2ccc(F)cn2)no1 335251870 RSOYNZIKAVEWKZ-UHFFFAOYSA-N 225.248 2.134 0 40 BEAB c1ccc2c(c1)nc1n2CC[n+]2cscc2-1 387682 OAPSAFYJTYLWGY-UHFFFAOYSA-N 228.300 2.066 0 40 BEAB CC(=O)NC(=S)Nc1cc(Cl)ccc1C 1480414 DJPZMRWKQFZQSD-UHFFFAOYSA-N 242.731 2.481 0 40 BEAB N[C@@H](CC(=O)O)C12CC3CC(CC(C3)C1)C2 1506921 AMRNUEMIMYEDBK-ZQMDXNIRSA-N 223.316 2.005 0 40 BEAB O=C(O)CCC(=O)c1cc(F)ccc1F 2378722 SNFMCIZLSODNLD-UHFFFAOYSA-N 214.167 2.012 0 40 BEAB CC(C)Sc1nc2c(c(=O)[nH]1)CCCC2 4002363 LQPZODPCAWSFAJ-UHFFFAOYSA-N 224.329 2.149 0 40 BEAB CCC[C@@H](Oc1ccccc1OC)C(=O)O 8730627 RGWZFMBSXFRQRM-LLVKDONJSA-N 224.256 2.327 0 40 BEAB CCCNC(=S)Nc1cc(C)cc(C)n1 13837814 PHJGMPOHSCCHDY-UHFFFAOYSA-N 223.345 2.395 0 40 BEAB C1=NC[C@H](c2ccc([C@@H]3CN=CC=N3)cc2)N=C1 18057616 NSNHRZYMHZIUON-OKILXGFUSA-N 238.294 2.079 0 40 BEAB CCOc1ccccc1[C@@H](C)NCCOC 19881629 RFWADLABSAHHKJ-LLVKDONJSA-N 223.316 2.382 0 40 BEAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)N)cc1OC 20392393 HYRHCZXUDHOWNL-FBIMIBRVSA-N 221.300 2.155 0 40 BEAB CCc1c(C=O)c(C)n(CCOC)c1C 22122150 PJILQIYWXVDHRS-UHFFFAOYSA-N 209.289 2.126 0 40 BEAB NC(=O)[C@H](Nc1ccc(F)cc1)c1ccccc1 26157982 FIUSXXYCERDGMJ-CYBMUJFWSA-N 244.269 2.464 0 40 BEAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1 32012608 DAGWNRUYMBGFSV-LDYMZIIASA-N 211.692 2.389 0 40 BEAB in-vitro Cc1cccc(NC(=O)[C@H](C)SCCO)c1 33045875 QTTHWHLMAQISMV-JTQLQIEISA-N 239.340 2.048 0 40 BEAB Nc1c(-c2ccc(F)cc2)nsc1C(=O)O 33268116 UWVZJPQYRGOTSB-UHFFFAOYSA-N 238.243 2.230 0 40 BEAB CC(C)(C)OC(=O)[C@H](N)Cc1ccc(F)cc1 34959736 VLUZNVMKIYJNRF-LLVKDONJSA-N 239.290 2.037 0 40 BEAB CN(C)CC(C)(C)CNC1CCSCC1 35120821 FFMDGDJJZCKWTC-UHFFFAOYSA-N 230.421 2.059 0 40 BEAB O=C(CCC1CCCC1)Nc1cn[nH]c1 35237576 SOJGJAURTPIJKY-UHFFFAOYSA-N 207.277 2.319 0 40 BEAB O=C(C1CC1)N1CCC[C@H](C(F)(F)F)C1 40462065 JQXYACZQKBAXMF-QMMMGPOBSA-N 221.222 2.197 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)CCc1ccco1 45000387 FPXUHFSEBCQAHP-UHFFFAOYSA-N 247.298 2.201 0 40 BEAB CC[C@@H]1CCCCN1C(=O)c1cccc(N)n1 51070425 OAWSRGNZSZTWCA-SNVBAGLBSA-N 233.315 2.069 0 40 BEAB Cc1cc(N)nn1-c1ccc(Cl)cc1 54404724 MXMIJABWYVYHOF-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB in-vitro CC[C@@H](Cc1ccc2c(c1)CCO2)C(=O)O 62711308 HKFDOAFTSIWDJJ-JTQLQIEISA-N 220.268 2.275 0 40 BEAB CN1CCC[C@@H]1c1cccc2c1OCCO2 65623894 SMLBEMKPHRELMY-LLVKDONJSA-N 219.284 2.225 0 40 BEAB O=C(c1c[nH]nc1-c1ccccc1)N1CCCC1 70248391 LERVCDRNANXKGO-UHFFFAOYSA-N 241.294 2.313 0 40 BEAB CC(C)c1ccc([C@@H](CO)N2CCOCC2)cc1 70453261 IPBAMLMDIQDMAL-OAHLLOKOSA-N 249.354 2.176 0 40 BEAB CCOC(=O)Cc1noc(-c2cccc(C)c2)n1 71873593 GHXOALMROPCZCQ-UHFFFAOYSA-N 246.266 2.151 0 40 BEAB CCOC(=O)c1cn[nH]c1Cc1cccc(F)c1 71980889 ISAVEHDNIPXNJF-UHFFFAOYSA-N 248.257 2.316 0 40 BEAB C[C@@H](c1ccccn1)N1CCOC(C)(C)C1 72312056 HTEJGLIZUXXIJC-NSHDSACASA-N 220.316 2.253 0 40 BEAB CC(C)CN1CCC(Cc2ccnn2C)CC1 72383187 VLCWTWQIMWQYHJ-UHFFFAOYSA-N 235.375 2.331 0 40 BEAB COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 74941760 HKVSCLALMNQAIN-UHFFFAOYSA-N 244.250 2.401 0 40 BEAB in-vitro NCC1(c2ccc(F)c(F)c2F)CC1 75934190 LGFRAMQTSDWHFU-UHFFFAOYSA-N 201.191 2.094 0 40 BEAB O=C(NCC1CC1)c1ccnc2ccccc12 78811670 ZVBJXXOEHQVKHG-UHFFFAOYSA-N 226.279 2.375 0 40 BEAB COc1ccc(C(=O)c2ccc(C(=O)O)o2)cc1 82309960 OYIAVQGXLCUANM-UHFFFAOYSA-N 246.218 2.217 0 40 BEAB O=C([C@@H]1CCCOC1)N1CCCc2ccccc21 82322398 RHDGNOPDDUXQCO-CYBMUJFWSA-N 245.322 2.392 0 40 BEAB CC(C)(C)OC(=O)NC[C@@](C)(O)c1ccco1 89662504 GDFJWEGKOQASAY-GFCCVEGCSA-N 241.287 2.012 0 40 BEAB Cc1cnc([C@H](NC(=O)C2CC2)C2CC2)s1 89702370 BNWIBYWNJKQNCC-SNVBAGLBSA-N 236.340 2.429 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CCCN[C@H]2C)c1C 91496419 TVKBPWTVCDPBBV-JSGCOSHPSA-N 246.354 2.174 0 40 BEAB COc1ccc([C@H](O)c2cccn2C)cc1OC 95727749 UKMVKKMMPIMLMC-AWEZNQCLSA-N 247.294 2.124 0 40 BEAB O=C1NC2(CCCCC2)C(=O)N1CCC1CC1 95992576 LATSSZGLZCMOKX-UHFFFAOYSA-N 236.315 2.041 0 40 BEAB CC[C@@H](O)CN[C@H](C)c1cc(C)ccc1OC 96490819 LRLAEVJOQRHNKF-VXGBXAGGSA-N 237.343 2.425 0 40 BEAB COc1cccc(COc2cc(C)n(C)n2)c1 96496133 DLKKMQRASUNFAX-UHFFFAOYSA-N 232.283 2.316 0 40 BEAB NC[C@H]1Cc2ccccc2N(CC2CC2)C1 96510384 PGFRBHOXYYHBIN-GFCCVEGCSA-N 216.328 2.034 0 40 BEAB CS(=O)(=O)c1cc[nH]c1-c1cccc(F)c1 96532685 OWSKNWLJQIJHGL-UHFFFAOYSA-N 239.271 2.224 0 40 BEAB Brc1ccc(-c2ncc[nH]2)nc1 96663633 OZKHSJCPLPWZKI-UHFFFAOYSA-N 224.061 2.234 0 40 BEAB CC(C)c1cc(N(C)CCCn2ccnc2)[nH]n1 97034141 WCHXXYHIXWGYCE-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CC(C)C[C@@H]1CCCN1C(=O)c1ncccc1O 97102385 PJVUGWLUVKDKQM-NSHDSACASA-N 248.326 2.438 0 40 BEAB CSCCN1CCC(C2CCOCC2)CC1 104314229 LFZYGUPHVCWOSP-UHFFFAOYSA-N 243.416 2.488 0 40 BEAB COc1ccc(N[C@@H]2CCCC[C@@H]2N)cc1 145191617 DHUWBPYQXYJHQL-QWHCGFSZSA-N 220.316 2.377 0 40 BEAB CONC(=O)N(Cc1ccccc1)C(C)C 167066860 UPBXURKFOBSANI-UHFFFAOYSA-N 222.288 2.168 0 40 BEAB CC[C@](C)(CNC1C[C@H](C)O[C@@H](C)C1)[C@@H](C)O 195550819 CAKQDNXHLJAYON-CIQGVGRVSA-N 243.391 2.329 0 40 BEAB C/C=C/C=C/COC(=O)c1cccc(C(N)=O)c1 195577863 QTXDYBFLSSMJTN-MQQKCMAXSA-N 245.278 2.075 0 40 BEAB CCOCCOc1cc(C)cc(C)c1N 223778296 NBLVCSTUIOOWGC-UHFFFAOYSA-N 209.289 2.301 0 40 BEAB OCc1cn(Cc2cccc(Cl)c2)cn1 236507818 FIEPKWPOTPUHPQ-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB Cc1nn(C)c(F)c1CNCc1ccccc1 256051469 JGWZCOQIOASUMC-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB CCCCNCc1cc(C(F)(F)F)n(C)n1 256053633 SERVKKXPDJDCKP-UHFFFAOYSA-N 235.253 2.329 0 40 BEAB c1cc(C[C@H]2CCCN(CC3CCC3)C2)n[nH]1 257328641 XGNYMGYWZBLCEN-CYBMUJFWSA-N 233.359 2.464 0 40 BEAB O=C1OCOc2ccc(Br)c(F)c21 258839862 WYFXTKJIRZNKKN-UHFFFAOYSA-N 247.019 2.095 0 40 BEAB CCCN1C(=O)N/C(=C/c2ccsc2)C1=O 409240665 QXBCFUMNRKJUEC-RMKNXTFCSA-N 236.296 2.051 0 40 BEAB CN(C)[C@@H]1CCC[C@H]1Oc1nccs1 585650822 FXGMMGSTAFGBDG-RKDXNWHRSA-N 212.318 2.005 0 40 BEAB COC(=O)c1cc2cc(C(=O)O)sc2s1 1535645064 RCQRSHFDYJKLQY-UHFFFAOYSA-N 242.277 2.448 0 40 BEAB O=C(O)c1cccc(NC(=O)c2ccccn2)c1 171064 CFQHNZSRMWNVCF-UHFFFAOYSA-N 242.234 2.032 0 40 BEAB COc1ccc(Nc2cc(=S)[nH]c(N)n2)cc1 1682473 ICODORUDNLJBMZ-UHFFFAOYSA-N 248.311 2.474 0 40 BEAB COc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1 2574423 WKGLTBFKXDKKGA-MNOVXSKESA-N 248.278 2.379 0 40 BEAB CCOC(=O)c1ccccc1C(=O)CC 2580257 QRDKCHYNPCYQCW-UHFFFAOYSA-N 206.241 2.456 0 40 BEAB O=C(OC(F)(F)C(F)F)c1cccnc1 3234014 HGSBWGXJVXFQPN-UHFFFAOYSA-N 223.125 2.096 0 40 BEAB Nc1cc(C(F)(F)F)ccc1-n1cccn1 3888908 VLUQHVNLXBAREY-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB in-vitro NCCCCCc1nc(-c2cccs2)no1 4218361 QNBFNACJRXEQLL-UHFFFAOYSA-N 237.328 2.470 0 40 BEAB C[C@H](Cc1n[nH]c(=S)n1N)c1ccccc1 6680579 PEJAZZXFIYYNIB-MRVPVSSYSA-N 234.328 2.001 0 40 BEAB FC(F)(F)c1cc([C@@H]2CCCCN2)n[nH]1 19686244 NIKHHHYYFBSTGU-LURJTMIESA-N 219.210 2.243 0 40 BEAB S=c1[nH]nc(N2CCCCC2)s1 19908497 NXYCCXNQSGLOHM-UHFFFAOYSA-N 201.320 2.191 0 40 BEAB Clc1ccccc1OC[C@@H]1CCCN1 20221597 UEVSIPVDOOIGLY-VIFPVBQESA-N 211.692 2.471 0 40 BEAB NCc1cccc(OCc2ccccn2)c1 20534340 FZQYAAFALDBUNJ-UHFFFAOYSA-N 214.268 2.119 0 40 BEAB CN(C)C(=O)c1csc(Br)c1 32779931 VKFAHFRLHANQTF-UHFFFAOYSA-N 234.118 2.212 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)c2ccccn2)n1C 32836665 NSTYZLWLSWLSPO-LLVKDONJSA-N 243.310 2.220 0 40 BEAB CN(C)C(=O)CCc1ccc(Cl)cc1 32845856 NNDAUXZUMIVZQW-UHFFFAOYSA-N 211.692 2.361 0 40 BEAB COC[C@H](C)Nc1nc2ccccc2o1 32905345 SSWPEWAZLVQXLH-QMMMGPOBSA-N 206.245 2.275 0 40 BEAB COc1cccc2c1SC[C@H](C(=O)O)C2 34275088 UCLKKLUJRBIKDA-MRVPVSSYSA-N 224.281 2.044 0 40 BEAB COc1cccc(-n2cccc2C(=O)O)c1 35431539 RDUMZIGDBNJSGF-UHFFFAOYSA-N 217.224 2.184 0 40 BEAB NCc1nc(-c2ccc(Cl)cc2)c[nH]1 36870914 RDOJFKMPPSAZGC-UHFFFAOYSA-N 207.664 2.189 0 40 BEAB in-vitro NCCCNCc1cccc2ccccc12 37713067 XZEIKHYXJARPRC-UHFFFAOYSA-N 214.312 2.278 0 40 BEAB O=C(O)C(F)(F)c1ccc(C(F)(F)F)cn1 40447929 VMFSEGCDPAHKKB-UHFFFAOYSA-N 241.115 2.277 0 40 BEAB Cc1cc(C(=O)N(C)[C@@H](C)CC(C)C)on1 45088586 LFOUNKFBRQGWSJ-JTQLQIEISA-N 224.304 2.490 0 40 BEAB CCC(=O)Nc1cc(N(C)C)c(N)cc1Cl 45891764 GETWVVKWFDSSQL-UHFFFAOYSA-N 241.722 2.337 0 40 BEAB COC[C@@H](C)NCc1ccc(F)c(C)c1 50544540 OSKBIGUJYGLOBZ-SNVBAGLBSA-N 211.280 2.259 0 40 BEAB COCc1cccc(NC(=O)NCC2CC2)c1 58058522 DMWWSLNLLSSKRS-UHFFFAOYSA-N 234.299 2.365 0 40 BEAB O=c1ccccn1CCCOc1ccccc1 61111241 AABLJDSDICQVAP-UHFFFAOYSA-N 229.279 2.317 0 40 BEAB COc1ccccc1-c1cnccc1C(=O)O 65347328 MEYHBIZGGUXZHE-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB OC[C@H](c1c(F)cccc1F)N1CCCC1 70452996 UUBWECOHULPWKF-LLVKDONJSA-N 227.254 2.094 0 40 BEAB COCCCn1cc(CN)c2ccccc21 70631161 YTSUGFQQUATQRX-UHFFFAOYSA-N 218.300 2.137 0 40 BEAB CN(C)c1ccc(-c2nocc2C(=O)O)cc1 71535797 WTNVPGYSPCJQEJ-UHFFFAOYSA-N 232.239 2.106 0 40 BEAB COC(=O)c1cc(Cl)c(Cl)nc1C 71790762 UQGCQTYKUJHQPF-UHFFFAOYSA-N 220.055 2.483 0 40 BEAB in-vitro CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 74713343 FFVXKXJVYNMPKL-UHFFFAOYSA-N 236.290 2.106 0 40 BEAB CCCc1c(C(=O)O)cc(C(C)=O)n1CC 78404579 DKMZTDOFCLCIBT-UHFFFAOYSA-N 223.272 2.361 0 40 BEAB COCC(=O)Nc1cc(C(C)C)c(O)cc1C 88466700 YEESWPCHMDTOOY-UHFFFAOYSA-N 237.299 2.409 0 40 BEAB CN(C)C(=O)c1cccn1Cc1ccccc1 89312152 JKPBTMMYDPETED-UHFFFAOYSA-N 228.295 2.238 0 40 BEAB Cc1ccc(-n2nnnc2NC2CC=CC2)cc1 89643103 MHERMJTYANYHPX-UHFFFAOYSA-N 241.298 2.101 0 40 BEAB CCOC(=O)c1cc(Cl)cnc1OCC 90413158 MIBCQYWSJIUAQT-UHFFFAOYSA-N 229.663 2.310 0 40 BEAB COc1ccc([C@@H](N[C@@H](C)CO)C(C)C)cc1 91349040 XFWDLSGTTUOEHB-FZMZJTMJSA-N 237.343 2.363 0 40 BEAB CC[C@@H](c1ccncc1)N(CC)C(=O)NC 95399961 QHABNTWVNWEVNR-NSHDSACASA-N 221.304 2.194 0 40 BEAB CN(C[C@H]1CCOC1)OCc1ccccc1 96485593 LCGWSPCTHIRVJD-CYBMUJFWSA-N 221.300 2.087 0 40 BEAB CSc1nccn1CCOC(C)(C)C 96501497 UMARUUQQFKRTIZ-UHFFFAOYSA-N 214.334 2.420 0 40 BEAB Cn1cnc2nc(Cl)cc(Cl)c21 98179384 ZDRSANSMVFLCEO-UHFFFAOYSA-N 202.044 2.275 0 40 BEAB CN[C@@H](C)Cc1cc2c(cc1Cl)OCO2 202429017 UUGIOXDVHPQROZ-ZETCQYMHSA-N 227.691 2.219 0 40 BEAB in-vitro C1CCC(N2CCN[C@H]3CCC[C@H]32)CC1 218851303 GHGZLQZVXKLYNC-QWHCGFSZSA-N 208.349 2.145 0 40 BEAB O=C(NC1CC1)c1ccc2[nH]c(Cl)nc2c1 225974413 JHLCVUMPNAAEOZ-UHFFFAOYSA-N 235.674 2.109 0 40 BEAB OCNCc1c(Cl)cccc1Cl 238693683 DXIGUYMSZPFIJY-UHFFFAOYSA-N 206.072 2.033 0 40 BEAB C[C@H]1CCc2c(nn(C(C)(C)C)c2O)N1 242687738 UTPGGFAMYGFAOL-ZETCQYMHSA-N 209.293 2.090 0 40 BEAB C[C@@](N)(Cc1ccc(C(F)(F)F)cc1)C(=O)O 255994120 PEYIUMGUVJOYKB-SNVBAGLBSA-N 247.216 2.050 0 40 BEAB c1cc(C[C@@H]2CCCN(CC3CCC3)C2)n[nH]1 257328642 XGNYMGYWZBLCEN-ZDUSSCGKSA-N 233.359 2.464 0 40 BEAB O=C(NC1CC(F)(F)C1)c1cccs1 277013053 LVISAUIYYNGRMJ-UHFFFAOYSA-N 217.240 2.276 0 40 BEAB Cc1scc(CN=c2[nH]ccnc2C)c1C 399816646 MEABGRLJPVPRBW-UHFFFAOYSA-N 233.340 2.497 0 40 BEAB O=C(c1ccno1)N1CC[C@H](c2ccsc2)C1 675008418 XJJHIYNDFMXFFF-VIFPVBQESA-N 248.307 2.366 0 40 BEAB CCc1nnc(NC(=O)CC(C)C)s1 344630 ZUIJNZJTCHESKW-UHFFFAOYSA-N 213.306 2.085 0 40 BEAB Nc1cccnc1-c1ccc(C(=O)O)cc1 4244088 JKUXNNSVOYEEQX-UHFFFAOYSA-N 214.224 2.029 0 40 BEAB CC(=O)COC(=O)CCc1c[nH]c2ccccc12 4286768 HWAIKHMMEYVWMF-UHFFFAOYSA-N 245.278 2.233 0 40 BEAB CCOC(=O)[C@H](C)[C@](C)(O)c1ccccc1 5064359 PZTFVWFFIAHVSA-GWCFXTLKSA-N 222.284 2.093 0 40 BEAB Cc1cccc(NC(=O)c2cccnc2)n1 6815528 VYMSCFQPFSTNRJ-UHFFFAOYSA-N 213.240 2.037 0 40 BEAB CCCCNS(=O)(=O)c1ccccc1Cl 7308670 IJVKZMUAXDFMJL-UHFFFAOYSA-N 247.747 2.418 0 40 BEAB COc1ccc(C(=O)N2CCC(C)CC2)c(O)c1 12998446 ZDDGTNQHJVJHFR-UHFFFAOYSA-N 249.310 2.273 0 40 BEAB CCC(=O)Nc1ccc2oc(C)nc2c1 13021378 ZVIFUMVYXRAIEJ-UHFFFAOYSA-N 204.229 2.485 0 40 BEAB O=C(O)/C=C/c1c(F)cc(F)cc1F 16159110 JARROIJACNTGOM-OWOJBTEDSA-N 202.131 2.202 0 40 BEAB CSc1ncc(CO)c(NC2CCCC2)n1 20384551 HKGVZNNJDXEJQC-UHFFFAOYSA-N 239.344 2.045 0 40 BEAB Cc1ccc(NC(=O)Cn2cccc2C=O)cc1 33508474 HLUTYEDDFNHMEO-UHFFFAOYSA-N 242.278 2.248 0 40 BEAB N[C@@H]1C[C@H]1c1ccc(Br)s1 37381256 YOZWARUYCJJUCK-RFZPGFLSSA-N 218.119 2.325 0 40 BEAB CCCNC1CCN(C(=O)c2ccccc2)CC1 37653807 CRENZOCQINGZNT-UHFFFAOYSA-N 246.354 2.291 0 40 BEAB in-vitro CCCn1nc(C(=O)O)c2ccccc21 39118093 SRLYWTDJCHALPO-UHFFFAOYSA-N 204.229 2.145 0 40 BEAB COC(=O)c1occc1CN1CCC(C)CC1 40475802 DKPSBTXBVVESSA-UHFFFAOYSA-N 237.299 2.298 0 40 BEAB C[C@H]1CCC[C@H](C)N1c1ncnc2[nH]ncc12 41120979 OAYJNOHVKAHTJM-IUCAKERBSA-N 231.303 2.120 0 40 BEAB Cc1ccc(Sc2cc(NN)ncn2)cc1 45918592 ACZZCXQTBWOAKZ-UHFFFAOYSA-N 232.312 2.222 0 40 BEAB Cc1ccsc1CN(C)C(=O)[C@@H]1CCCO1 47532016 CJRBCSVVXXKTHU-JTQLQIEISA-N 239.340 2.194 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCN(C)C[C@@H]2C)c1 52198689 TVLNDWZNEQRFPH-GXTWGEPZSA-N 246.354 2.065 0 40 BEAB Cc1ccn(-c2ccc(C=O)c(C)c2)n1 52884534 WJFNHBQPSFKETH-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB CC(C)(C)c1ccc(CC(CO)CO)cc1 57515182 ASVJAMMASGZXCV-UHFFFAOYSA-N 222.328 2.127 0 40 BEAB CC(C)c1ccc2c(c1)C(=O)[C@H](N)CCO2 62626077 HBMVBSCPNRYQBI-LLVKDONJSA-N 219.284 2.103 0 40 BEAB Fc1c(Br)cccc1OC[C@@H]1CO1 66309357 ALUKSHASDNTFSH-LURJTMIESA-N 247.063 2.366 0 40 BEAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc[nH]2)no1 69510600 SPNHLPRTDKKDLO-LBPRGKRZSA-N 245.282 2.288 0 40 BEAB CNCc1cnc(N2CCCCC2)cc1C 72223510 UHBYKHGHGOVTBN-UHFFFAOYSA-N 219.332 2.100 0 40 BEAB CC(C)(C)CN1CCC[C@@H](c2ccnc(N)n2)C1 72361188 GHDVTILPRXTRDS-LLVKDONJSA-N 248.374 2.284 0 40 BEAB CC(F)(F)c1ccc(N2CCNCC2)cc1 77011912 VKQZVXITACARAX-UHFFFAOYSA-N 226.270 2.208 0 40 BEAB CN(C(=O)NC1CCOCC1)C1CCCCC1 80086903 CXFAWHZIMUEJEQ-UHFFFAOYSA-N 240.347 2.140 0 40 BEAB CN1CCC(=O)c2cc(Cl)ccc2C1 84307344 VANMETRXOWIKMR-UHFFFAOYSA-N 209.676 2.358 0 40 BEAB CCS(=O)(=O)[C@@H](C)C(=O)c1cccc(C)c1 96518019 KFNJCOYZXPIZQH-JTQLQIEISA-N 240.324 2.001 0 40 BEAB CC(C)c1ncc(C(=O)Nc2cnccn2)s1 97146097 OMDLORIITSCFHQ-UHFFFAOYSA-N 248.311 2.309 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2n1C 97377805 VHVNIXDJXNEZLR-ZJUUUORDSA-N 243.310 2.192 0 40 BEAB CC(C)c1cccc(N2CCNC2=O)c1 98096552 KGYNXIXMQQROLX-UHFFFAOYSA-N 204.273 2.340 0 40 BEAB in-vitro CC(C)/C=C1/N[C@@H](c2ccccc2)OC1=O 100083203 GFCWYYFWAQGXPR-JATZPVMKSA-N 217.268 2.372 0 40 BEAB Cc1occc1S[C@@H]1CCCCNC1=O 131439627 XUHMABKOWZVLPM-SNVBAGLBSA-N 225.313 2.349 0 40 BEAB CC[C@H](NN)c1ccc(F)c(F)c1F 161801290 VXSCYGCALBNRHG-ZETCQYMHSA-N 204.195 2.018 0 40 BEAB CCN1C(=O)S/C(=C\c2ccc[nH]2)C1=O 210155248 AWNPDODWDRBLQB-VURMDHGXSA-N 222.269 2.071 0 40 BEAB CN1C[C@H](N)[C@H](c2cccc3ccccc23)C1 217661804 ZFXMGGNUDJFQJW-GJZGRUSLSA-N 226.323 2.196 0 40 BEAB CC(=O)Oc1cccc(C(=O)C2CC2)c1 226053252 AYISYVIRNYFNLR-UHFFFAOYSA-N 204.225 2.205 0 40 BEAB ClC1=COc2nc(Br)cn2C1 228908437 NSYNFJIUIFVXDJ-UHFFFAOYSA-N 235.468 2.118 0 40 BEAB Nc1cc(F)c(C(F)(F)F)cc1C(=O)O 238679654 HZOXFSHBNJIBDZ-UHFFFAOYSA-N 223.125 2.125 0 40 BEAB Nc1cc(-c2cc(F)c(F)cc2F)no1 257965551 BXVRQOCEVFRQKB-UHFFFAOYSA-N 214.146 2.341 0 40 BEAB CN1CC[C@H](Oc2nccc3ccccc23)C1 585652735 UOKHUUAPLXJBEC-LBPRGKRZSA-N 228.295 2.318 0 40 BEAB COC(=O)CCC(=O)c1oc2ccccc2c1N 54924 HHBFPHIJQNHQBQ-UHFFFAOYSA-N 247.250 2.151 0 40 BEAB biogenic C[C@H]1CCCCN1C(=O)c1cccnc1 1456448 OPCGFWHCHDLRFY-JTQLQIEISA-N 204.273 2.096 0 40 BEAB COc1ccc(OC)c2nc(C=O)ccc12 1526717 JTUCCIJVUMWRPQ-UHFFFAOYSA-N 217.224 2.065 0 40 BEAB biogenic CC(=O)N1CCc2cccc(Br)c21 1662521 RNWAKJNLFUWSRG-UHFFFAOYSA-N 240.100 2.358 0 40 BEAB COC(CN[C@@H](C)c1c[nH]c2ccccc12)OC 3847518 YCVXYHZKRMVTII-JTQLQIEISA-N 248.326 2.437 0 40 BEAB O=C(O)c1ccc(CN2O[C@H]3C=C[C@@H]2CC3)cc1 4100407 VBEBXFQLSRFWNG-OLZOCXBDSA-N 245.278 2.219 0 40 BEAB CCNc1cc(NC(C)=O)ccc1OC 5139745 XTKBLPKQFBQFTC-UHFFFAOYSA-N 208.261 2.085 0 40 BEAB CCOC(=O)c1oc2c(c1C)-c1[nH]ncc1CC2 6750266 LJDCFYUTVHVXDW-UHFFFAOYSA-N 246.266 2.253 0 40 BEAB CC(=O)c1ccc[n+](Cc2ccc(F)cc2)c1 9417877 MCTNSCRVIVSBKO-UHFFFAOYSA-N 230.262 2.364 0 40 BEAB N[C@H]1CCCC[C@H]1Oc1ccccc1F 19269882 QBRPQUPDBWIVMU-CMPLNLGQSA-N 209.264 2.474 0 40 BEAB in-vitro COc1ccc(NC[C@H]2CCOC2)cc1 19964863 MOKHPDAMAWUTHI-SNVBAGLBSA-N 207.273 2.144 0 40 BEAB CC[C@H](CO)N[C@@H](C)c1ccccc1OC 20194858 HTJFCOKMDJSZPA-WDEREUQCSA-N 223.316 2.117 0 40 BEAB COC(=O)c1snc(-c2ccc(C)cc2)c1N 33268021 AUOXTAKZSPNUBH-UHFFFAOYSA-N 248.307 2.487 0 40 BEAB CCOC(=O)c1cc(Cl)c(O)c(OC)c1 33636998 JSMDCMPQIMLIOO-UHFFFAOYSA-N 230.647 2.231 0 40 BEAB COc1cccc(-c2nc(N)cs2)c1 34376671 NRUCMEPEHDFEFQ-UHFFFAOYSA-N 206.270 2.401 0 40 BEAB CC(C)CN[C@@H](C)c1nnc2ccccn12 35044275 SRKNIEPTDPKYKJ-JTQLQIEISA-N 218.304 2.036 0 40 BEAB CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)O 35079289 ZUTDVFRJNNKHND-UHFFFAOYSA-N 249.188 2.342 0 40 BEAB CCC[C@@H](N)C(=O)N(CC)C1CCCCC1 36872867 RVWWLOMSLGXMST-GFCCVEGCSA-N 226.364 2.295 0 40 BEAB O=C(Nc1cccnc1)c1cccc2cn[nH]c12 37164376 FJXZBVJJTXAPEC-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccncc1 40506278 IEMOBKHSBXHKPK-AAEUAGOBSA-N 248.326 2.218 0 40 BEAB O=C(Cc1ccccc1)OCC[C@H]1CCCNC1 42768758 NHQCVGAXKQZNIH-CQSZACIVSA-N 247.338 2.162 0 40 BEAB O=C(NC1CC1)N(Cc1cccc(O)c1)C1CC1 42933217 MFQSQQAZFWIBFY-UHFFFAOYSA-N 246.310 2.229 0 40 BEAB Oc1ccc(C2OCCO2)cc1Br 44229344 WWWAJAPPWHAJOK-UHFFFAOYSA-N 245.072 2.200 0 40 BEAB N[C@@H]1CCCC[C@H]1N1Cc2ccccc2C1 50910940 NOGOXXJPGYALOO-ZIAGYGMSSA-N 216.328 2.272 0 40 BEAB CCC(CC)N[C@@H](CO)c1ccccc1 62999395 GKMJEEKUVMDCNJ-ZDUSSCGKSA-N 207.317 2.498 0 40 BEAB CC(C)(C)C(=O)NC[C@@H](O)C1CCCCC1 69494414 MEMFNBRMCHBAMW-LLVKDONJSA-N 227.348 2.090 0 40 BEAB CCCNc1ccc([C@@H]2CCCN2C=O)cn1 72213181 BJEKKUYAKZFTMV-LBPRGKRZSA-N 233.315 2.197 0 40 BEAB CNc1ccc(C(=O)c2ccccc2)cn1 72225103 UXBKHZXQDJUBTR-UHFFFAOYSA-N 212.252 2.354 0 40 BEAB COC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1 83884613 UXOKNDFGYDXGGN-SECBINFHSA-N 247.216 2.268 0 40 BEAB in-vitro COc1nc(Br)ccc1OC1CC1 95731249 AREJGASQYIGXTB-UHFFFAOYSA-N 244.088 2.394 0 40 BEAB CCOc1cc([C@@H](C)O)cc(F)c1F 95739426 SLZIVWMMESEQLV-ZCFIWIBFSA-N 202.200 2.417 0 40 BEAB CONC(=O)NCC(C)(C)Cc1ccccc1 96409633 HOBAJTWDLLDJTF-UHFFFAOYSA-N 236.315 2.116 0 40 BEAB Cc1ccc(CN2CCCSCC2)nc1 97113622 LPMIYKXCSJQXGA-UHFFFAOYSA-N 222.357 2.329 0 40 BEAB Cc1ccccc1CCNCc1c[nH]nc1C 97159251 JAOUSSMMYMTHMZ-UHFFFAOYSA-N 229.327 2.359 0 40 BEAB CCCCOc1ccc([C@H](C)NN)cc1 98123907 KMIZBLWYLBPOJX-JTQLQIEISA-N 208.305 2.390 0 40 BEAB O=c1cc(O)nc(-c2ccc(Cl)cc2)o1 104834023 OAPMWEKWCZBAHH-UHFFFAOYSA-N 223.615 2.061 0 40 BEAB COc1cccc2cc(CO)c(Cl)nc12 117426891 URECDAWEYBVMLT-UHFFFAOYSA-N 223.659 2.389 0 40 BEAB CC(C)(C)OC(=O)NCCNc1cccnc1 135009839 HXFMMUXZTBEXJR-UHFFFAOYSA-N 237.303 2.018 0 40 BEAB N[C@H]1CCCC[C@H]1NCCc1ccccc1 218853503 MDLZPTBFVRHYHS-UONOGXRCSA-N 218.344 2.089 0 40 BEAB CCC(=O)NCCOc1cccc(C)c1C 223970451 LCOPEBQHMVGOCX-UHFFFAOYSA-N 221.300 2.208 0 40 BEAB CCNC(=O)CCc1ccc(OC)c(C)c1 225204250 OQZJXWRRMPQGSZ-UHFFFAOYSA-N 221.300 2.072 0 40 BEAB CCOC[C@@H](O)COc1c(C)cccc1Cl 225570810 DWBDNHVZFATHNV-SNVBAGLBSA-N 244.718 2.425 0 40 BEAB COC(=N)c1nc(C2CC2)n2ccccc12 225745379 NJKNHKRRGZXIKF-UHFFFAOYSA-N 215.256 2.183 0 40 BEAB Cc1ccc(C(=O)c2ccncc2N)cc1 228919688 ROBYMSLUDQCWEC-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB COC(=O)c1cc2cccc(C)c2nc1OC 242648758 RGHDTYSIJQKRFD-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB c1cc2c(s1)CN(CC[C@@H]1CCNC1)CC2 334971421 VUUYFNJLVSMYOY-NSHDSACASA-N 236.384 2.106 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1[C@H]2CC[C@@H]1C[C@@H](N)C2 1857522578 ZCLHRPOKTQSBAR-DTIDVZRVSA-N 225.332 2.092 0 40 BEAB O=c1oc2cc(O)c(Br)cc2s1 32648 SCQGQMLODYVREA-UHFFFAOYSA-N 247.069 2.323 0 40 BEAB O[C@@H](Nc1nccs1)C(Cl)(Cl)Cl 1558185 MHDSRPZFJLLBKM-GSVOUGTGSA-N 247.534 2.244 0 40 BEAB Nc1ccc2c(c1)nnn2-c1ccccc1 1646387 AASWUWVVKDFAMD-UHFFFAOYSA-N 210.240 2.003 0 40 BEAB CCCN(CCC)C(=O)CCCCC(=O)OC 1687954 VLVXCYQXCDTMAR-UHFFFAOYSA-N 243.347 2.368 0 40 BEAB Nc1ccc(F)c(F)c1C(=O)C(F)(F)F 2386562 VSYPGVRXKMHOGD-UHFFFAOYSA-N 225.116 2.292 0 40 BEAB O=C(O)/C=C\C=C/c1ccc2c(c1)OCO2 5119079 RHBGITBPARBDPH-CCAGOZQPSA-N 218.208 2.069 0 40 BEAB in-vitro Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 5547947 CRTSCPLAEBMXEI-VXGBXAGGSA-N 233.311 2.244 0 40 BEAB Cc1nc(-c2ccccc2)nc(S)c1C(=O)O 6759614 OIMZRUPPRUNUGF-UHFFFAOYSA-N 246.291 2.439 0 40 BEAB COC(=O)[C@@H](C)Oc1ccc(C)cc1C 6844173 UYKPOWLXZPFYTL-SNVBAGLBSA-N 208.257 2.244 0 40 BEAB O=Cc1ccccc1OCCCN1CCCC1 8731478 IHDHMWIYERBQDH-UHFFFAOYSA-N 233.311 2.364 0 40 BEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC1 12537654 INZMKOAIQNKCCM-UHFFFAOYSA-N 226.279 2.323 0 40 BEAB Cc1ccc(SCC(=O)N(C)C)cc1 12866593 VKOYKXALUNJFNI-UHFFFAOYSA-N 209.314 2.175 0 40 BEAB CC[C@@H](C)NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 12891737 WMSAJLYXXMAPRW-MRVPVSSYSA-N 248.326 2.370 0 40 BEAB [O-][n+]1c(-c2ccccc2)c(O)nc2ccccc21 13637247 JUJNJFGOMPIJOT-UHFFFAOYSA-N 238.246 2.241 0 40 BEAB Cc1ccnc(NC(=O)Nc2ccncc2)c1 15951955 HORAJTDOEQJNNK-UHFFFAOYSA-N 228.255 2.429 0 40 BEAB O=C(Nc1ncccc1O)c1ccccc1 16476767 RCERLEXNYYXISX-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB CC(C)NCc1cnn(-c2ccccc2)c1 19880452 YXLAKWNIQKXAKT-UHFFFAOYSA-N 215.300 2.370 0 40 BEAB in-vitro O=C1C[C@H](c2ccc(F)c(F)c2)c2c[nH]nc2N1 20720768 PLLPEHQBRILBPU-SSDOTTSWSA-N 249.220 2.162 0 40 BEAB COc1ccc(-n2nc(Cl)nc2C)cc1 22125861 ZGPMWDJXHVILTJ-UHFFFAOYSA-N 223.663 2.238 0 40 BEAB OCc1c(Cl)ncnc1NCc1ccccc1 29753730 DENHNSFYHHBDHX-UHFFFAOYSA-N 249.701 2.234 0 40 BEAB CCNC(=O)c1cc(-c2ccccc2F)on1 30040320 LHCIZWYWXZLOHR-UHFFFAOYSA-N 234.230 2.230 0 40 BEAB NCCc1cc(F)ccc1Br 30678546 SQTSCCWHQMRJKN-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB COc1nc(F)c(Cl)c(N)c1Cl 31501063 XBFLRBRESHZOLD-UHFFFAOYSA-N 211.023 2.118 0 40 BEAB CCC(C)(C)NC(=O)[C@@H]1COc2ccccc2O1 32666448 QFXHKHFSLNJSBD-LBPRGKRZSA-N 249.310 2.131 0 40 BEAB COc1ccc(CNC(=O)C[C@@H]2C=CCC2)cn1 32871410 XNROKVSRZGZZOL-LLVKDONJSA-N 246.310 2.063 0 40 BEAB Cn1nc(C(=O)O)cc1-c1cc(F)ccc1F 36164070 GLFRHWGSGFTSFP-UHFFFAOYSA-N 238.193 2.064 0 40 BEAB NC(=O)c1ccc(Oc2ccccc2O)c(F)c1 37674620 QPRLDDUZJVXUMF-UHFFFAOYSA-N 247.225 2.423 0 40 BEAB CSCCC(=O)NCCc1ccsc1 40074344 QIPDSGWWOOIWMA-UHFFFAOYSA-N 229.370 2.160 0 40 BEAB c1ccc(SC[C@H]2CCCNC2)nc1 43471637 OKZVVMWLNVCZOC-JTQLQIEISA-N 208.330 2.173 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1N 44713512 XAJYUOBKHFIVFN-RYUDHWBXSA-N 248.326 2.136 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccn1 47824103 WZYVDHDGBNQEQH-RYUDHWBXSA-N 248.326 2.155 0 40 BEAB COCCN(CCOC)Cc1ccc(C)cc1 57996681 WEBDBJHJOYBSPF-UHFFFAOYSA-N 237.343 2.090 0 40 BEAB CC[C@@H]1CCCCN1C(=O)C1CCOCC1 58291325 VMKFKTVDSWHKOH-GFCCVEGCSA-N 225.332 2.204 0 40 BEAB C[C@H](O)c1c(Cl)nc2sccn12 71372300 PNSGXXCGFMEHNT-BYPYZUCNSA-N 202.666 2.103 0 40 BEAB in-vitro Cc1noc(C)c1Cn1c(C)c(C)sc1=O 76062572 LSNIZGMSJATFNU-UHFFFAOYSA-N 238.312 2.180 0 40 BEAB CCCCn1c(C(C)=O)cc(C(=O)O)c1C 78404541 OXCGBNQDGCEQNT-UHFFFAOYSA-N 223.272 2.497 0 40 BEAB CN(CCCCCN)CCc1ccccc1 83852668 UWWGLJNYPVTMEY-UHFFFAOYSA-N 220.360 2.290 0 40 BEAB CCN(c1ccccc1C)[C@@H](C)C(=O)O 84148584 HLCOIMGGSPQULX-JTQLQIEISA-N 207.273 2.294 0 40 BEAB Cn1c(CCCCCO)nc2ccccc21 95532030 SPALTDMZXSXNFQ-UHFFFAOYSA-N 218.300 2.278 0 40 BEAB O=Cc1cccc(COC[C@@H]2CCCO2)c1 95738658 ZTARXEHHLSIXEB-ZDUSSCGKSA-N 220.268 2.195 0 40 BEAB CC[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1 95752082 HKBHWTZBSJEWCD-WDEREUQCSA-N 242.363 2.241 0 40 BEAB O=C(O)c1cc(Cl)nc(Br)c1 95761190 IBBONDAWVSODCZ-UHFFFAOYSA-N 236.452 2.196 0 40 BEAB in-vitro C[C@H]1C[C@H](C)CN(c2ccc(N)cc2N)C1 216767870 UGCJLVZPBOHKRY-UWVGGRQHSA-N 219.332 2.333 0 40 BEAB COC(=O)c1cccn1-c1ccc(OC)cc1 223735852 UKATZZZNLDGSCP-UHFFFAOYSA-N 231.251 2.273 0 40 BEAB CCCNC(=O)NC(=S)c1ccccc1 408730101 FJPMGLMXQYWURS-UHFFFAOYSA-N 222.313 2.071 0 40 BEAB COCOc1ccc(F)c(C=O)c1Cl 1083800021 RPODJWYXVDATDW-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB Cc1ccc(N)cc1NC(=O)c1cccnc1 873958 PAWHELOVFBZCPG-UHFFFAOYSA-N 227.267 2.225 0 40 BEAB CCCC[C@@H](CC)COCCCNCC(=O)O 1611703 BBWWSPMTKCMZLY-GFCCVEGCSA-N 245.363 2.284 0 40 BEAB CC[C@@H](C)[C@H](NCc1ccccc1)C(=O)O 1726739 GPAVORZIWQTJJQ-PWSUYJOCSA-N 221.300 2.276 0 40 BEAB CC(C)CCNS(=O)(=O)c1ccccc1F 3369502 AYQHLLVKNMSZFZ-UHFFFAOYSA-N 245.319 2.150 0 40 BEAB Cc1cccc(CN2CCC[C@H]2C(=O)O)c1 3747888 WFOOVVKHILZLJI-LBPRGKRZSA-N 219.284 2.044 0 40 BEAB Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1)N(C)C2=O 4909039 IDWAGSRMHFDPTG-GFCCVEGCSA-N 245.257 2.032 0 40 BEAB S=C(NC1CC1)N(Cc1ccccn1)C1CC1 7369379 FSFIQWGAIPIABG-UHFFFAOYSA-N 247.367 2.083 0 40 BEAB CCCN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 8316082 FRWXWUYPHVCLLQ-CQSZACIVSA-N 246.310 2.172 0 40 BEAB O=C1N[C@H](c2cccc(O)c2)Nc2ccccc21 9609862 ICEUSXUWDXWTRZ-CYBMUJFWSA-N 240.262 2.246 0 40 BEAB O=S=C1S[C@H]2CCCC[C@H]2S1 12402938 MRCSZCZWJWNTQV-OLQVQODUSA-N 206.357 2.078 0 40 BEAB Cc1cccc(NC2=NC[C@@H](C)S2)n1 12462973 CMHNKMRKUZJKCO-MRVPVSSYSA-N 207.302 2.293 0 40 BEAB Cc1cnc(NC(=O)c2ccccc2O)s1 14707206 YLTAAMUGGIYNJU-UHFFFAOYSA-N 234.280 2.409 0 40 BEAB CCOc1ccc(C2=CCNCC2)cc1 19407557 BCROUNLZXKTVIU-UHFFFAOYSA-N 203.285 2.462 0 40 BEAB in-vitro Cc1ccc(-c2cc(CC(=O)O)no2)cc1 20270412 DDJMMKMFDDDZFJ-UHFFFAOYSA-N 217.224 2.277 0 40 BEAB O=C1c2cccnc2C(=O)N1c1cccc(F)c1 22073198 FOXOQTBRMMNTKL-UHFFFAOYSA-N 242.209 2.021 0 40 BEAB CC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 26439325 NKALZRHKSCMBLO-UHFFFAOYSA-N 233.311 2.303 0 40 BEAB COCc1noc(N)c1-c1ccccc1F 26512593 TXEOYHWIBPAOLQ-UHFFFAOYSA-N 222.219 2.209 0 40 BEAB COc1cccc(C(=O)Nc2nc(C)ns2)c1 27664475 AXENVLQTHNPPAD-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB Cc1cnc(C(=O)N(C)CC2CCCCC2)cn1 32753013 UJYSWVIJMLUIGY-UHFFFAOYSA-N 247.342 2.437 0 40 BEAB CC(=O)c1cc(C(=O)N2CCCC[C@@H]2C)n(C)c1 32843853 WBXCWIOQXFRDPW-JTQLQIEISA-N 248.326 2.242 0 40 BEAB NC[C@H]1CCCC[C@@H]1OCC(F)(F)F 35235898 NGVIRIIQGBINNV-SFYZADRCSA-N 211.227 2.083 0 40 BEAB in-vitro COc1ccc(-c2n[nH]c(C(=O)O)c2C)cc1 38478098 XLKACPLKPWEEQQ-UHFFFAOYSA-N 232.239 2.092 0 40 BEAB O[C@H](CCN1CCCC1)c1ccccc1 39234104 OXWWUXGRBQMMFI-CYBMUJFWSA-N 205.301 2.206 0 40 BEAB c1ccc2c(Cn3ccnn3)cccc2c1 39366346 ZJQQLCLITFXRAN-UHFFFAOYSA-N 209.252 2.480 0 40 BEAB Cc1ccc(OCCN(C)C(=O)[C@@H]2C[C@H]2C)cc1 40001080 NIIFKDHUSNQLMD-TZMCWYRMSA-N 247.338 2.488 0 40 BEAB COc1ccc(OC)c([C@H](O)c2ccoc2)c1 40244866 AVLRWPICKVUSNW-CYBMUJFWSA-N 234.251 2.379 0 40 BEAB COc1ccc(OC)c(-c2ncc[nH]2)c1 41212547 GYXVUPKDPDGYQW-UHFFFAOYSA-N 204.229 2.094 0 40 BEAB CCNC(=O)CSCc1ccccc1C 41366069 GTZWJPUISPAGNI-UHFFFAOYSA-N 223.341 2.364 0 40 BEAB COCCCNc1cccc(Cl)n1 42783981 HXCJHLWUIRZNNN-UHFFFAOYSA-N 200.669 2.183 0 40 BEAB CC[C@@H](C)NC(=O)CN1CCCCCCC1 42975740 XOCRWZUSCBPPBV-GFCCVEGCSA-N 226.364 2.167 0 40 BEAB CCOC(=O)[C@H]1CC[C@H](c2ccccc2)N1 51971694 BJOUEZQMVVKCPC-VXGBXAGGSA-N 219.284 2.043 0 40 BEAB CNC[C@@H]1C[C@H]1c1cc(OC)cc(OC)c1 54588821 LQSNQLIZJGAFQO-GWCFXTLKSA-N 221.300 2.027 0 40 BEAB Cc1cccc(NC(=S)NC(C)(C)C)n1 54924579 MORYLTUADZZYOL-UHFFFAOYSA-N 223.345 2.475 0 40 BEAB O=C1OC2(CCCC2)[C@H](C(=O)O)c2ccccc21 62702399 WIVDZWMYBLVILF-NSHDSACASA-N 246.262 2.338 0 40 BEAB C[C@@H](CC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 72208303 XFBVMJNPJAEPAT-JGVFFNPUSA-N 231.292 2.010 0 40 BEAB CCn1nccc1COc1ccccc1N 72209529 MAONSNVIEUOBFK-UHFFFAOYSA-N 217.272 2.064 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1cccnc1C 72211323 DZSYEZRXQTVEHU-CYBMUJFWSA-N 218.300 2.464 0 40 BEAB COc1ncc([C@H]2CCCN2C)cc1C 72217707 NPDBNJLQYSNVAY-LLVKDONJSA-N 206.289 2.165 0 40 BEAB CNc1ccc([C@@H]2CCCN2C)c(C)n1 72219085 FNBBUAFVDRBJTA-NSHDSACASA-N 205.305 2.198 0 40 BEAB CC1(C)CC(CCOC=O)CC(C)(C)N1 78502880 YDWDWFNEINAUNH-UHFFFAOYSA-N 213.321 2.106 0 40 BEAB C[C@@H]1OCC[C@H]1NCCSC(C)(C)C 89516554 PQDXUVZCUPHFNO-VHSXEESVSA-N 217.378 2.285 0 40 BEAB O=C(NC1CCCCC1)OC[C@@H]1CCCCN1 92742901 ANDKHQYUVAIIOA-LBPRGKRZSA-N 240.347 2.187 0 40 BEAB CCCCCNC(=O)N1CCCC[C@H]1CCO 95461049 CCPPMWMHCXZCDV-LBPRGKRZSA-N 242.363 2.123 0 40 BEAB CCc1ccnc(C(=O)OCc2cncs2)c1 97101400 KESYBZSJELFRMX-UHFFFAOYSA-N 248.307 2.458 0 40 BEAB CCCc1nnc(NCc2ccco2)o1 97231396 ROCTYZUJLDMTOR-UHFFFAOYSA-N 207.233 2.227 0 40 BEAB Cc1nc(COc2c(C)nn(C)c2C)oc1C 98019215 OAPOOFQXGDJHQH-UHFFFAOYSA-N 235.287 2.221 0 40 BEAB CCOC(=N)CC(=O)Nc1ccccc1 102956594 OYFJGLYDKNISEF-UHFFFAOYSA-N 206.245 2.029 0 40 BEAB O=C1C2(C[C@H]3C=C[C@@H]2C3)C(=O)C12C[C@H]1C=C[C@H]2C1 104213272 LHVUQOXIEJINII-XFTNOROYSA-N 240.302 2.303 0 40 BEAB Cc1ccc2c(c1)N(C(=O)[C@@H](N)C(C)(C)C)CC2 154069179 LLOZZNOTTHNZIJ-CYBMUJFWSA-N 246.354 2.258 0 40 BEAB Cc1ncccc1OCc1cccnc1 193684106 NSUUFWWRSAYKJA-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB COP(=O)(OC)N(C)[Si](C)(C)C 195479490 YDSZGRVKQXRGHU-UHFFFAOYSA-N 211.274 2.154 0 40 BEAB Cc1nc(C(C)C)ncc1C(=O)NCC(C)C 222568556 SJRDOLQQZWPOPL-UHFFFAOYSA-N 235.331 2.294 0 40 BEAB CC1(C)CCC[C@](O)(CNC(=O)C2CCC2)C1 225484065 NXWAZPKEWQTWKF-CQSZACIVSA-N 239.359 2.234 0 40 BEAB CC(=O)N1CCCC[C@H]1CC[C@H]1CCCCN1 252497313 QDLPLRVGHSLZQZ-KGLIPLIRSA-N 238.375 2.310 0 40 BEAB CCOC(=O)c1c(N)ncn1C1CCCCC1 256051208 IDYYHGXODHZXLO-UHFFFAOYSA-N 237.303 2.147 0 40 BEAB Cn1ccc(NCc2ccc(F)s2)n1 256053955 UIJNUIWKSDHGAE-UHFFFAOYSA-N 211.265 2.233 0 40 BEAB Cc1cnc(NC(=O)c2ccco2)s1 253453 ATYMTSQESJVQLV-UHFFFAOYSA-N 208.242 2.297 0 40 BEAB COc1ccccc1C(=O)Nc1ccncc1 327306 JOHGASNAHWBVBS-UHFFFAOYSA-N 228.251 2.343 0 40 BEAB COc1c2occc2c(N)c2ccc(=O)oc12 1593797 MONZOXMQHOAEQD-UHFFFAOYSA-N 231.207 2.130 0 40 BEAB CCCCOCC(=O)c1ccc(O)cc1O 1640984 JQAJQDOURDCSQT-UHFFFAOYSA-N 224.256 2.097 0 40 BEAB CC[C@@H]1S[C@](CC)(CC(C)C)C(=O)NC1=O 1705156 HFERNRCGYRDAFA-JOYOIKCWSA-N 243.372 2.350 0 40 BEAB CCN[C@H](CCC1CCCCC1)C(=O)O 1724691 VFJKDEWRRDXKOF-LLVKDONJSA-N 213.321 2.410 0 40 BEAB COc1ccc(C(=O)OCC[C@@H](C)OC)cc1 2046598 XGIHCPWVDFMFIK-SNVBAGLBSA-N 238.283 2.277 0 40 BEAB OC1(c2ccc3[nH]ncc3c2)CCSCC1 2526949 HSFBKJOCQCSUHD-UHFFFAOYSA-N 234.324 2.278 0 40 BEAB COc1ccc(CN2CCCC[C@H]2C(=O)O)cc1 3754739 VHKOUIFYHWLPHA-ZDUSSCGKSA-N 249.310 2.134 0 40 BEAB CCCCCC[C@@H]1C[C@H](C)N(CCO)C1=O 5244868 OGJHQQJFKJKOEB-NWDGAFQWSA-N 227.348 2.186 0 40 BEAB COc1ccc(C)cc1C(=O)CCCC(=O)O 11631179 PBBNBNFFKOAZIL-UHFFFAOYSA-N 236.267 2.441 0 40 BEAB CCC(CC)C(=O)Nc1nc(C)ns1 11917505 VQUKBVWGOVCKPP-UHFFFAOYSA-N 213.306 2.221 0 40 BEAB C[C@H](NC(=O)C1CCC1)c1ccccn1 15480549 NCIQQQKLPZGKMV-VIFPVBQESA-N 204.273 2.059 0 40 BEAB COC(=O)/C=C\SC(=S)[C@@H]1CCCC1=O 17109214 ILXCOJDMKHJTNG-KXTMECRCSA-N 244.337 2.103 0 40 BEAB CCCN1CCN(c2ccc(C(C)=O)cc2)CC1 19871142 PWDRANFZMOMMEJ-UHFFFAOYSA-N 246.354 2.421 0 40 BEAB COc1ccc(OC)c(C(=O)NC2CCCC2)c1 23143292 MTDKOCYNWUELPP-UHFFFAOYSA-N 249.310 2.376 0 40 BEAB Cc1cccc(C(=O)N[C@H](C)c2ccco2)n1 25463444 RJFIUSJIFVRSEN-SNVBAGLBSA-N 230.267 2.474 0 40 BEAB O=C(Cc1ccccc1F)NCc1ccccn1 32998081 IGEVKUMVKDTRII-UHFFFAOYSA-N 244.269 2.080 0 40 BEAB COc1ccc2[nH]c(C)c(C)c(=O)c2c1 34049900 HXKQXQZZZJMXSK-UHFFFAOYSA-N 203.241 2.154 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1O 35323013 ROUONLKDWVQKNB-RYUDHWBXSA-N 249.310 2.169 0 40 BEAB CCOC(=O)CCCOc1cccc(C=O)c1 38918625 DQKZXCOPRAANIJ-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB CC(C)NC(=O)c1ccc(C(F)(F)F)cn1 40047110 PEFFZSYMKYUILY-UHFFFAOYSA-N 232.205 2.239 0 40 BEAB Nc1nc2ccc(-n3ccnc3)cc2s1 40538982 QLBXOKFVCLZMEM-UHFFFAOYSA-N 216.269 2.064 0 40 BEAB Clc1ccccc1CNCCn1cccn1 42351803 VOIOEHUHUHVSEJ-UHFFFAOYSA-N 235.718 2.326 0 40 BEAB CCC(CC)NCCC(=O)OC(C)(C)C 47218950 CZBOQYAKWRLLBX-UHFFFAOYSA-N 215.337 2.496 0 40 BEAB Cc1cc(F)ccc1NCc1ncc[nH]1 49714587 ZGDRZGRGSPTDFZ-UHFFFAOYSA-N 205.236 2.469 0 40 BEAB O=C(c1cccc2c1NCCC2)N1CCCC1 50957514 IZLMGKWAXUJQGV-UHFFFAOYSA-N 230.311 2.281 0 40 BEAB CC(C)CNC(=O)CCNc1ccccc1 58393751 JALCEQSQENDHPM-UHFFFAOYSA-N 220.316 2.261 0 40 BEAB Cc1cc(C)c2cc(C(=O)O)n(C)c2c1 58823662 CPADWLQAONDSRQ-UHFFFAOYSA-N 203.241 2.493 0 40 BEAB Cc1noc(C)c1NC(=O)CC[C@@H]1CCCO1 63447197 GSVYXRDCNNTMSB-JTQLQIEISA-N 238.287 2.189 0 40 BEAB COC(=O)COc1ccnc2c(C)cc(F)cc12 64874780 HONFEXORTDJCJO-UHFFFAOYSA-N 249.241 2.234 0 40 BEAB CCCC[C@H](CC)C(=O)NCc1nc(C)no1 69893212 ANQQGOGNAOHTKX-JTQLQIEISA-N 239.319 2.211 0 40 BEAB C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)C1CC1 71798773 PWPOYPFSTAPMAS-BDAKNGLRSA-N 210.321 2.225 0 40 BEAB OCCCN(CCCOc1ccccc1)C1CC1 71912111 IAYYYSGGNUMDOA-UHFFFAOYSA-N 249.354 2.302 0 40 BEAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC1CC1 72302926 LAARUEAVPOZANF-UWVGGRQHSA-N 210.321 2.225 0 40 BEAB CC(C)(C)[C@@H](NCCO)c1ccc(F)cc1 72309124 GLPWMTWKXSCWPW-LBPRGKRZSA-N 225.307 2.495 0 40 BEAB Cc1ncc(C(=O)NC2CC2)n1-c1ccccc1 72793949 DZJLVUYXHRAKON-UHFFFAOYSA-N 241.294 2.073 0 40 BEAB COc1cc(C)c(Br)cc1CO 83825965 HTLIGZVLXBOYCN-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB O=C(c1cscn1)N1C[C@@H]2CCCC[C@H]2C1 89764755 XBUZOZRFQBSRQR-UWVGGRQHSA-N 236.340 2.405 0 40 BEAB C[C@@]1(CO)CCC[C@@H]1NC1CCSCC1 89919265 AXDXLOYECWKQME-RYUDHWBXSA-N 229.389 2.023 0 40 BEAB Cc1ccnc(N2CCC[C@@H](N3CCCC3)C2)c1 91453494 XQZVPCHTUZXNPP-CQSZACIVSA-N 245.370 2.455 0 40 BEAB CC[C@@H](O)CN[C@@H](C)c1ccc(OC)c(F)c1 97033034 DMEPGCHETNRYHJ-GXSJLCMTSA-N 241.306 2.256 0 40 BEAB CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC 107350521 MSOSVFHZZBTXDD-TUAOUCFPSA-N 227.348 2.496 0 40 BEAB COc1c(Cl)cc(F)cc1C(=O)O 107373852 CGQJXROOXNYCJH-UHFFFAOYSA-N 204.584 2.186 0 40 BEAB Cc1ccc(CN2CCN(C)C[C@H]2C(C)C)nc1 108472683 FWUYIUQAUQXISY-HNNXBMFYSA-N 247.386 2.162 0 40 BEAB CCC(=O)NCCCc1ccc(C)cc1 165264445 XTLOCHNWEVZJLL-UHFFFAOYSA-N 205.301 2.454 0 40 BEAB O=C(O)c1[nH]c2cccnc2c1Br 168589257 AHSXJKUNBQDRRU-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CN1CC[C@H](Cc2ccnc(Cl)c2)C1 205699844 AKJURBGTIUHRNC-SNVBAGLBSA-N 210.708 2.229 0 40 BEAB COCCCNCc1ccc(CC(C)C)[nH]1 226019871 AIILVZFEFAMXCR-UHFFFAOYSA-N 224.348 2.339 0 40 BEAB C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](CN)[C@H]12 242687533 ULMGXBABGMHAEG-ZOZBQHSOSA-N 237.265 2.185 0 40 BEAB Cc1cc(NCc2cnn(CC(C)C)c2)n(C)n1 256053939 UGLQUJUEKJLFHQ-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB Cc1c(NCc2cccn2C)cnn1CCF 256054692 XJTBYLIAMVLYIM-UHFFFAOYSA-N 236.294 2.112 0 40 BEAB CC(C)(C)Cn1cc(-c2cccnc2)nn1 656454559 YKYYOHLYCBJSNM-UHFFFAOYSA-N 216.288 2.386 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@]12CCC[C@@H]2O 953091162 CSQRGDKPKDHLEO-GXFFZTMASA-N 241.331 2.301 0 40 BEAB Cn1cnc(-c2ccc(Cl)c(F)c2)n1 2362801890 WFRMFSAISJBOGP-UHFFFAOYSA-N 211.627 2.275 0 40 BEAB c1cncc(-c2nnc3c4ccccc4cnn23)c1 5945 GINLWLVGYWBOOP-UHFFFAOYSA-N 247.261 2.340 0 40 BEAB COc1nnc(-c2ccccc2Cl)o1 39027 IADKISGZLFEMKP-UHFFFAOYSA-N 210.620 2.399 0 40 BEAB Cc1ccc2nc3n(c(=O)c2c1)CCCCC3 142683 RNWRFZQMDQTFFB-UHFFFAOYSA-N 228.295 2.431 0 40 BEAB CC(C)C[C@H](C)NS(=O)(=O)c1ccccc1 364043 HOTWSKFALOQVGX-NSHDSACASA-N 241.356 2.400 0 40 BEAB Cn1nnnc1SCc1cccc(Cl)c1 984044 YQYHXBPDNADRLJ-UHFFFAOYSA-N 240.719 2.156 0 40 BEAB CC[C@@]1(C)OC(=O)[C@H](c2ccccc2)O1 1687895 ZNXPDXFSIBVTGN-CMPLNLGQSA-N 206.241 2.427 0 40 BEAB CCC(=O)O[C@H](C)COc1ccccc1 1693697 JGTRETARVZPHAI-SNVBAGLBSA-N 208.257 2.407 0 40 BEAB CN(C)CC(C)(C)C(=O)c1ccccc1 1733149 WKJYCZMXCFRIEO-UHFFFAOYSA-N 205.301 2.457 0 40 BEAB Clc1ccc(OCCOC[C@H]2CO2)cc1 2454843 OJQIRZPGAUHQII-NSHDSACASA-N 228.675 2.134 0 40 BEAB in-vitro CN(C)c1ccc([C@H](O)C(F)(F)F)cc1 3162950 SOYRNYDJSIZAFO-VIFPVBQESA-N 219.206 2.348 0 40 BEAB in-vitro COc1ccc(NC2=NCCCCC2)nc1 6373185 JCCBSTGMWKDORU-UHFFFAOYSA-N 219.288 2.475 0 40 BEAB Cc1ccc(-n2ncc3c(S)ncnc32)cc1 6767776 ALRZQRZZXZITMZ-UHFFFAOYSA-N 242.307 2.413 0 40 BEAB CCOc1ccc(/C=C/C(=O)NC2CC2)cc1 8034951 LLXUQYSZJYHSOD-BJMVGYQFSA-N 231.295 2.377 0 40 BEAB S=c1[nH]c(=S)c2[nH]c(=S)[nH]c2[nH]1 8614702 ITERHBFDXIEMFW-UHFFFAOYSA-N 216.316 2.341 0 40 BEAB CCc1[nH]c(=O)cc2cc(OC)c(OC)cc12 8637123 DCVWACZNVRBNJN-UHFFFAOYSA-N 233.267 2.108 0 40 BEAB CC[C@H](Cc1ccc(OC)cc1)C(=O)O 11976788 QUTIPRONARPHBI-SNVBAGLBSA-N 208.257 2.349 0 40 BEAB OC1C[C@@H]2CC[C@H](C1)N2c1ccccc1 12402924 AZQPQDSVAJMYQD-FUNVUKJBSA-N 203.285 2.179 0 40 BEAB CC1=CC[C@H]([C@@]2(C)CC(C(=O)O)=NO2)CC1 12416778 BVSRPFFUJYAQCM-JOYOIKCWSA-N 223.272 2.352 0 40 BEAB CC(C)C(=O)N1CCn2c1nc1ccccc12 12537295 ZYVQJGPOURBRCO-UHFFFAOYSA-N 229.283 2.039 0 40 BEAB CN(Cc1ccc(F)cc1)C(=O)c1cccnc1 12979396 ZGTFZLJMELEZOW-UHFFFAOYSA-N 244.269 2.493 0 40 BEAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1 12985363 WQROHDSVCZRZGO-JTQLQIEISA-N 248.326 2.176 0 40 BEAB Cc1oc(C)c(C(=O)NC[C@H]2CCCO2)c1C 13020657 YDCQTIOVJKUKHE-LLVKDONJSA-N 237.299 2.114 0 40 BEAB OC[C@H]1COc2cc(Cl)c(Cl)cc2O1 17248519 YSKZPQPJOWLVSP-YFKPBYRVSA-N 235.066 2.126 0 40 BEAB CN(Cc1ccccc1)c1cn[nH]c(=O)c1Cl 18050293 JQECMRFNANDQCP-UHFFFAOYSA-N 249.701 2.060 0 40 BEAB CCCCNC(=O)c1ccnc(Cl)c1 19813698 YGEKXEPYAHXBFY-UHFFFAOYSA-N 212.680 2.265 0 40 BEAB OCCNc1cc(Cl)cc(Cl)c1 20046871 GOINWPLXAPVRED-UHFFFAOYSA-N 206.072 2.398 0 40 BEAB Cc1ccc(C(=O)NC2CCCC2)cc1N 20194696 UVNBJTVEBGRHEG-UHFFFAOYSA-N 218.300 2.250 0 40 BEAB CCN(CC)C(=O)c1cc(F)cc(F)c1 28210519 IAEJNPYPHDBMLW-UHFFFAOYSA-N 213.227 2.447 0 40 BEAB CSc1ccc(C(=O)N2CCCC2)cn1 32907413 ATQJUFQTTJFPRA-UHFFFAOYSA-N 222.313 2.040 0 40 BEAB CC(C)C(=O)Nc1ccc([C@@H](C)O)cc1 35646049 TVSSKBOCXORIBQ-SECBINFHSA-N 207.273 2.334 0 40 BEAB Fc1cccc(-c2noc([C@H]3CCCNC3)n2)c1 35660504 SFLFRHKNFAGSIC-JTQLQIEISA-N 247.273 2.343 0 40 BEAB in-vitro c1nc(NC[C@@H]2CCCO2)c2ccsc2n1 36803812 QZBLPCZDYPWHTO-QMMMGPOBSA-N 235.312 2.282 0 40 BEAB Cc1c(C(N)=O)sc2cccc(F)c12 37388726 PTDRUJMWDCEXBB-UHFFFAOYSA-N 209.245 2.448 0 40 BEAB O=C(c1ccco1)N1CCO[C@H]2CCCC[C@H]21 41194583 FVODVCOPXMIWGK-MNOVXSKESA-N 235.283 2.063 0 40 BEAB CCc1cc(Cl)ccc1OC1CNC1 42769639 MZKYKYUGULJCCT-UHFFFAOYSA-N 211.692 2.253 0 40 BEAB CCNC(=O)Nc1cc(Cl)ccc1OC 43466910 AQENZARUAFKMKA-UHFFFAOYSA-N 228.679 2.490 0 40 BEAB CCC(=O)N(C)Cc1ccccc1OC 45477419 YNIMNFHAMMOHAO-UHFFFAOYSA-N 207.273 2.064 0 40 BEAB C[C@@H]1CCN(CCCO)[C@H]2CCCC[C@@H]21 45944650 QPHQUVSDONMVAD-UPJWGTAASA-N 211.349 2.269 0 40 BEAB COc1ccccc1[C@H]1OCC(C)(C)N1C 54967426 XUKKSEBVJIEVKG-GFCCVEGCSA-N 221.300 2.434 0 40 BEAB CCn1nc(C)c2nc(C)nc(N3CCCC3)c21 57312605 SIEOCAJNOLNLTO-UHFFFAOYSA-N 245.330 2.063 0 40 BEAB Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)CO 58342197 WRQQVRLYKNFSKJ-QMMMGPOBSA-N 242.706 2.151 0 40 BEAB Cc1ccc(-c2cc(CO)on2)cc1C 66354296 DJBOHQXUGXUYGC-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB COc1ncc(C(=O)Nc2cccc(C)c2)cn1 67349695 SAGFVCCISFQQGK-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB COCCN1CCC(OCc2ccccc2)CC1 69420575 MDKBNFXGBVKIHT-UHFFFAOYSA-N 249.354 2.314 0 40 BEAB COc1cc(C(=O)O)nc2c(C)cccc12 71775328 ALWRPRYXGWXIJP-UHFFFAOYSA-N 217.224 2.250 0 40 BEAB Cc1cccc(CC(=O)NCc2ccncc2)c1 74825330 WNWAHAUNVOOOOY-UHFFFAOYSA-N 240.306 2.249 0 40 BEAB Cc1ccc(C(=O)c2ccccc2)c(N)n1 75621520 NZOFCGUHWGHCGM-UHFFFAOYSA-N 212.252 2.203 0 40 BEAB C[C@@](O)(c1cccc(C(=O)O)c1)C(F)(F)F 75846325 DLUPCHSNLHYNOF-SECBINFHSA-N 234.173 2.155 0 40 BEAB Fc1cc(OC[C@H]2CO2)ccc1Cl 75880974 UMWOUFHXYAAMSW-ZETCQYMHSA-N 202.612 2.257 0 40 BEAB Cc1ccc(CNC(=O)c2[nH]nc(C)c2C)cc1 82305751 AZQFAILLFGODCQ-UHFFFAOYSA-N 243.310 2.265 0 40 BEAB COc1cc(Br)cc(CC(=O)O)c1 84556690 KOAWADFHROEGLV-UHFFFAOYSA-N 245.072 2.085 0 40 BEAB CSc1nsc(NC(=O)CC2CCC2)n1 84629642 YKHRDVYDLXFMQV-UHFFFAOYSA-N 243.357 2.389 0 40 BEAB Cc1ccnc(N2C[C@@H]3CCC[C@H]3C2)n1 89701909 ZOMOKNZEZLLUDF-QWRGUYRKSA-N 203.289 2.021 0 40 BEAB CCO[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 95949257 LDLJGTHFAHPHCW-SNVBAGLBSA-N 235.283 2.253 0 40 BEAB CC[C@H](COC)NCCc1sc(C)nc1C 95967840 FVKHTNWFCQWXOO-LLVKDONJSA-N 242.388 2.317 0 40 BEAB C1CCC(N2CC[C@@]3(CCOC3)C2)CC1 96051073 PLCFTPNVCNILNX-CYBMUJFWSA-N 209.333 2.432 0 40 BEAB CN(C)C(=O)COc1cccc2c1CCCC2 96125650 VNNVYUSNOKXYJI-UHFFFAOYSA-N 233.311 2.032 0 40 BEAB CN(C)CCCCOc1cccc(C=O)c1 96234417 PDLJENOCICJVCW-UHFFFAOYSA-N 221.300 2.220 0 40 BEAB CCOC(=O)c1c(C)ncn1CC(C)C 96524061 VNINUUYYANPCKC-UHFFFAOYSA-N 210.277 2.024 0 40 BEAB CCCCn1nccc1N[C@@H]1CCCOC1 97045652 JIGSFGDUQLUFOP-LLVKDONJSA-N 223.320 2.274 0 40 BEAB C[C@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 97228301 IZNCWHSGTREGNN-ZDEQEGDKSA-N 209.333 2.092 0 40 BEAB c1ccc(CC2C[C@@H]3CC[C@H](C2)N3)nc1 169726650 GOQCAAHUJGRBRW-VGPLMAKISA-N 202.301 2.155 0 40 BEAB CCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)O)cc1 217816134 JLOMSCUIDGZYPV-GHMZBOCLSA-N 218.252 2.152 0 40 BEAB CCOCCCNCc1cnn(CC(C)C)c1 256050009 CHHSQVULNDXESP-UHFFFAOYSA-N 239.363 2.055 0 40 BEAB CCn1ncc(C)c1CNCCCOC(C)C 256051860 KUBNWSPHJYFCHI-UHFFFAOYSA-N 239.363 2.116 0 40 BEAB Cc1cccnc1-c1cnc(=NCC2CC2)[nH]c1 1888843504 GEDSZXOIBIBXMM-UHFFFAOYSA-N 240.310 2.091 0 40 BEAB COc1cccc(C2=CSC3=NCCN23)c1 1000420 GCPIYTCYJXIPOF-UHFFFAOYSA-N 232.308 2.412 0 40 BEAB CC(=O)Nc1c(F)c(F)c(F)c(F)c1F 1678676 REWJFHAZUPISFU-UHFFFAOYSA-N 225.116 2.341 0 40 BEAB CC[C@](CC(C)C)(SCC(=O)O)C(=O)O 1752275 UPNYOOGWLPZJOC-SNVBAGLBSA-N 234.317 2.084 0 40 BEAB CCOC(=O)C12CCN(CC1)Cc1ccccc12 1806954 APEWPIFOOZDSGK-UHFFFAOYSA-N 245.322 2.097 0 40 BEAB COc1cc(OC)cc(C(=O)NC2CCCC2)c1 3093843 RUZYHDWVXNPRPA-UHFFFAOYSA-N 249.310 2.376 0 40 BEAB N=C(N)SCCOc1ccccc1Cl 6881316 XTWJMVPOIQJYIH-UHFFFAOYSA-N 230.720 2.345 0 40 BEAB COc1ccccc1[C@H]1CC(=O)c2cn[nH]c2C1 8021442 KPFSAIVYJYMCTJ-SECBINFHSA-N 242.278 2.331 0 40 BEAB CCOc1cc(CO)c(Cl)cc1OC 8727663 KVDNQVBLKJHUIE-UHFFFAOYSA-N 216.664 2.240 0 40 BEAB Cc1c(C(=O)N2CCCC2)[nH]c2c1C(=O)CCC2 12886230 XVYWAJBEFBQURX-UHFFFAOYSA-N 246.310 2.078 0 40 BEAB CCN(CC)c1ccc2n[nH]c(C(=O)O)c2c1 14983297 YPJCLFHOCGPCMG-UHFFFAOYSA-N 233.271 2.107 0 40 BEAB C[C@H]1NCCc2cc3c(cc21)OCCCO3 17043816 QUYZCGGLMLPAJR-SECBINFHSA-N 219.284 2.055 0 40 BEAB Fc1ccc(C2=N[C@H]3C=NN=C3S2)cc1 17957926 QDUPAIVPMOYYDI-QMMMGPOBSA-N 219.244 2.086 0 40 BEAB CN(C)Cc1c(C(=O)O)oc2ccccc12 20433721 JDDNYNXNIMWSAC-UHFFFAOYSA-N 219.240 2.193 0 40 BEAB in-vitro Cc1ccc(I)c(C)n1 21982776 VUSABUXCLUKDGG-UHFFFAOYSA-N 233.052 2.303 0 40 BEAB CCOCC[C@H]1C(=O)Nc2ccccc21 22115674 MLBPJJVPSVADDH-SNVBAGLBSA-N 205.257 2.149 0 40 BEAB OC1CCN(Cc2cccc3cccnc23)CC1 25810319 OFFSITBAQCQHJD-UHFFFAOYSA-N 242.322 2.192 0 40 BEAB CCCn1nccc1NC(=O)c1cccc(C)n1 31417382 ZWDRNXMCVGKTBN-UHFFFAOYSA-N 244.298 2.249 0 40 BEAB Cc1ccc(C(=O)NCCCC(C)C)n1C 32797024 KZVCBBPBJGEPCI-UHFFFAOYSA-N 222.332 2.500 0 40 BEAB C[C@H](Cc1ccco1)NC(=O)c1ccncc1 32817676 IWZFMMVNVAEIRC-SNVBAGLBSA-N 230.267 2.036 0 40 BEAB CCCOC(=O)c1ccc2c(c1)OCCO2 35101654 RMSSGOZWLWXWOS-UHFFFAOYSA-N 222.240 2.025 0 40 BEAB Fc1cccc(Cl)c1CO[C@H]1CCNC1 36142144 QTPQDTNSVDVUQB-QMMMGPOBSA-N 229.682 2.358 0 40 BEAB CCC[C@](C)(N)C(=O)N[C@H](C)c1ccccc1 37621102 BGSUQVLWKNOKQB-RISCZKNCSA-N 234.343 2.381 0 40 BEAB in-vitro COC(=O)c1nn(C(C)C)c2ccccc12 39169794 YGAMTVAJKORPIZ-UHFFFAOYSA-N 218.256 2.404 0 40 BEAB in-vitro COc1ccc(-c2nc(CN)c(C)o2)cc1OC 39320611 NUQUTKATIBRXIE-UHFFFAOYSA-N 248.282 2.126 0 40 BEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)C1CC1 40108279 IRCUBLHLRPNCNJ-ZYHUDNBSSA-N 225.332 2.108 0 40 BEAB COC(=O)C[C@@H](N)c1ccc(Cl)c(F)c1 43388702 RBFNBHWANRSGPG-SECBINFHSA-N 231.654 2.042 0 40 BEAB CCC(=O)NCCc1ccc(OC(F)F)cc1 44869435 WVQQBUACVXZTNL-UHFFFAOYSA-N 243.253 2.357 0 40 BEAB Fc1ccc(CNCCOc2ccccn2)cc1 45945423 UOGGVDUPNNCICD-UHFFFAOYSA-N 246.285 2.389 0 40 BEAB Cc1n[nH]cc1NC(=O)Cc1ccc(F)cc1 49476487 KEYXACQYDVLNTL-UHFFFAOYSA-N 233.246 2.038 0 40 BEAB CC[C@@H](C)C(=O)NCCCn1nc(C)cc1C 55312430 KKWAUGGIMNWORT-SNVBAGLBSA-N 237.347 2.052 0 40 BEAB COC(=O)c1cc2nc(Cl)ccc2n1C 57218486 FOLIYRRJJRJIPK-UHFFFAOYSA-N 224.647 2.013 0 40 BEAB in-vitro CC[C@H](C)C(=O)NCCn1cnc2ccccc21 58268284 MHTDSPSTGFESKO-NSHDSACASA-N 245.326 2.199 0 40 BEAB CC(C)(C)c1noc(N)c1Br 59639133 MWTGYPARUJPSRN-UHFFFAOYSA-N 219.082 2.317 0 40 BEAB O=C(O)CCCCNC(=O)CCC1CCCC1 70197726 KHWVDEOLGPRXMW-UHFFFAOYSA-N 241.331 2.328 0 40 BEAB CCN(CC)CCNc1cc(C)[nH]c(=S)n1 71775414 AROOXJQAACOSCQ-UHFFFAOYSA-N 240.376 2.201 0 40 BEAB C[C@@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208738 MFZDEMSNUTXFJE-NXEZZACHSA-N 229.320 2.014 0 40 BEAB CCN(CC)c1ccc([C@H]2CCCN2C=O)cn1 72212824 AJVIUQVCTMHTHY-CYBMUJFWSA-N 247.342 2.221 0 40 BEAB CNc1ccc([C@@H]2CCCN2C(C)=O)c(C)n1 72219093 ZYKKKGBUMIXPTK-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 80585720 RKWAVFIDUBBHCR-DGCLKSJQSA-N 232.327 2.451 0 40 BEAB c1ccc2c([C@H]3CCCNC3)n[nH]c2c1 82913032 CODSMCOUHVHHQD-VIFPVBQESA-N 201.273 2.030 0 40 BEAB Cc1cc(Br)c2c(c1)[C@H](O)CO2 84150273 ZUAGOJVQIMCGHK-MRVPVSSYSA-N 229.073 2.183 0 40 BEAB COc1cc(SCCF)c(OC)cc1CO 85391345 NYUHDOOMNBDHCN-UHFFFAOYSA-N 246.303 2.258 0 40 BEAB Nc1ccc(F)cc1SCc1ncon1 85933396 DHLZZYXPQUVKSK-UHFFFAOYSA-N 225.248 2.083 0 40 BEAB CON(C)C(=O)c1ccc(Cl)nc1Cl 90413483 KBSJBBWIKLORJT-UHFFFAOYSA-N 235.070 2.022 0 40 BEAB CCOc1cc(Cl)c(CNC)cc1OC 95094952 PYTMFPVAVDKGMG-UHFFFAOYSA-N 229.707 2.467 0 40 BEAB CCC[C@H]1C[C@H]1Nc1cn[nH]c(=O)c1Cl 95404375 YKRUPRJIPZPYDD-NKWVEPMBSA-N 227.695 2.024 0 40 BEAB CN(C)c1cc(N)ccc1C(F)(F)F 95917702 RAGNRRKBRNUMAS-UHFFFAOYSA-N 204.195 2.354 0 40 BEAB CCCCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 102846821 SHHQWCFPXBMQNF-ZJUUUORDSA-N 241.718 2.304 0 40 BEAB CCC(=O)OC(C(F)(F)F)C(F)(F)F 145643464 OPPLWOJNEKNGAT-UHFFFAOYSA-N 224.100 2.433 0 40 BEAB CCCn1cc(NCc2cnn(CC)c2)cn1 157444629 LZRXCMLLDSMSFF-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB CC(C)(C)OC(=O)Oc1cccc(CO)c1 196580917 RYIPSFBPFONKQX-UHFFFAOYSA-N 224.256 2.493 0 40 BEAB CCOc1cc(Cl)c(CN)cc1OC 218295103 REEYHGGGGWPFCM-UHFFFAOYSA-N 215.680 2.206 0 40 BEAB CNC(=O)c1cc(N)ccc1NC1CCCCC1 225456203 KZKFZSNHJIXRHP-UHFFFAOYSA-N 247.342 2.373 0 40 BEAB NC(=O)/C=C/c1cc(N)c(Cl)c(Cl)c1 226345707 WBXZEBOWCYXNHI-OWOJBTEDSA-N 231.082 2.074 0 40 BEAB Cc1cc(NCc2cnn(C)c2)nn1CC(C)C 256052462 NKZYUAJTRGRUMD-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB COC(=O)CCC(=O)c1cccc(F)c1C 394784699 NSUGPASLMIGQOT-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB CC(=O)CC(C)(C)n1nnc(-c2ccccc2)n1 499869 JAXBUFQOHKEBFN-UHFFFAOYSA-N 244.298 2.054 0 40 BEAB Cc1ccc(NC(=O)COc2ccccc2)nc1 1006296 BPBCMKVOPMRDLZ-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB COc1cc(O)ccc1C(=S)SC 1565956 FZFAKKZFYSCZEJ-UHFFFAOYSA-N 214.311 2.439 0 40 BEAB COc1cccc2c1C(=O)[C@@]1(O)CCCC[C@@H]21 1634643 FXJPJLDVHPAZBR-IINYFYTJSA-N 232.279 2.280 0 40 BEAB COc1ccc2cc([C@@H](O)[C@H](C)O)ccc2c1 3844036 CWZNIRHUMZESFD-XPTSAGLGSA-N 232.279 2.263 0 40 BEAB biogenic CC[C@@H](C)P(=O)(N1C[C@@H]1C)N1C[C@@H]1C 4721235 QMRVDEQQFYHIBF-XGKXHWKCSA-N 216.265 2.386 0 40 BEAB CCN(Cc1ccncc1)C(=O)C(C)C 5322119 OJYNQRDQFNECOG-UHFFFAOYSA-N 206.289 2.086 0 40 BEAB Nc1nc(-c2cnc3ccccn23)cs1 5588959 OTKPANLGOJZPKP-UHFFFAOYSA-N 216.269 2.040 0 40 BEAB CC(C)C(=O)Nc1nc2ccccc2[nH]1 5841254 JVFBVPWDPRTTLQ-UHFFFAOYSA-N 203.245 2.157 0 40 BEAB Sc1nnc(COc2ccc(Cl)cc2)[nH]1 6093130 OIAHIKHIYQWBHQ-UHFFFAOYSA-N 241.703 2.326 0 40 BEAB in-vitro NC(=O)c1ccccc1Cc1ccccc1 6580967 OPUPBQQWLWFCPU-UHFFFAOYSA-N 211.264 2.376 0 40 BEAB biogenic CC(C)C(=O)Nc1ncccc1Br 6906606 DGPRKAIKUHGUFM-UHFFFAOYSA-N 243.104 2.439 0 40 BEAB CCn1c(CN(C)C(C)=O)nc2ccccc21 9250271 KONSXPXNQHKGPU-UHFFFAOYSA-N 231.299 2.035 0 40 BEAB Nc1n[nH]c2nc(-c3ccccc3)ccc12 11757318 HESPDHKJYFIMSN-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB COc1cccc(/C=C2\SC(=O)NC2=O)c1 12341826 IPQWMGNQGDHUJR-TWGQIWQCSA-N 235.264 2.019 0 40 BEAB CCCCC(=O)Nc1ccc(OC)nc1 12522902 KJNJGSAPQXIDOG-UHFFFAOYSA-N 208.261 2.219 0 40 BEAB COC(=O)c1ccc(NC(=O)C2CC2)c(C)c1 12984698 CQXAMVVAJMDYSZ-UHFFFAOYSA-N 233.267 2.130 0 40 BEAB CCC(=O)NCCCc1ccccc1OC 13755745 UEGPOGROAQMNQO-UHFFFAOYSA-N 221.300 2.154 0 40 BEAB O=C(c1cccc2ncccc12)N1CCCC1 14239230 WDCFCHUHSHXLHT-UHFFFAOYSA-N 226.279 2.471 0 40 BEAB CCCOCCOc1cc(C)ccc1N 14629718 DDERGRIXJVIWJD-UHFFFAOYSA-N 209.289 2.383 0 40 BEAB CCOc1ccc(O[C@H]2CCCNC2)cc1 14631736 UBWCRUNRNUSIMK-ZDUSSCGKSA-N 221.300 2.216 0 40 BEAB COc1cc(OC)cc([C@H]2C[C@H]2[C@@H](C)N)c1 20594413 SCBRMCDRXPTYCI-OXHMUOHRSA-N 221.300 2.155 0 40 BEAB Cc1nc(NC(=O)c2ccccn2)sc1C 21359704 ACZNIAFMADAIGC-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB Cc1cccc(CN2CCCN(C)CC2)c1 22455059 CGOMEJUHVNWBES-UHFFFAOYSA-N 218.344 2.133 0 40 BEAB Cc1cc(NC(=O)Cc2ccsc2)no1 25323313 YDJFDUPPEMHSOQ-UHFFFAOYSA-N 222.269 2.226 0 40 BEAB CCc1nn(C)c(N)c1Cc1ccccc1 26511763 KXSUFTMLYFUCFY-UHFFFAOYSA-N 215.300 2.156 0 40 BEAB Fc1ccc(Nc2ncnc3nccnc23)cc1 27817786 VJXJUNNNRUXSQE-UHFFFAOYSA-N 241.229 2.303 0 40 BEAB NC(=S)Nc1ccc(N2CCCCC2)cc1 31935636 FNSPXIYWQODFFA-UHFFFAOYSA-N 235.356 2.332 0 40 BEAB C[C@@H]1Cc2cc(Cl)cc(C(=O)O)c2O1 34382234 MKWOGTWITSYSCH-RXMQYKEDSA-N 212.632 2.362 0 40 BEAB CC1CCN(C(=O)c2cccnc2N(C)C)CC1 36175479 CNHIWDQCDSWBJQ-UHFFFAOYSA-N 247.342 2.020 0 40 BEAB Cc1ccccc1-n1nc(C(=O)O)c2c1CCC2 36666769 BSUHAOPZKGYUIR-UHFFFAOYSA-N 242.278 2.368 0 40 BEAB in-vitro CC1(C)Nc2cc(Cl)ccc2NC1=O 38997202 MDIKUHNABMMQPX-UHFFFAOYSA-N 210.664 2.483 0 40 BEAB in-vitro NC(=O)COc1ccc(Cc2ccccc2)cc1 40538114 XQVSQRZRLLUYGV-UHFFFAOYSA-N 241.290 2.142 0 40 BEAB C[C@H](SC1CCCC1)C(=O)N(C)C 41391453 QTTQJIOAWVYRRI-QMMMGPOBSA-N 201.335 2.139 0 40 BEAB Cc1cccc(CN[C@@H]2CCCCNC2=O)c1C 42255851 CRZQEQNSKLZIQW-CQSZACIVSA-N 246.354 2.062 0 40 BEAB CCOC(=O)[C@@H](CC)C(=O)C(C)(C)C 43502664 QDYVJSMPFVBBNO-QMMMGPOBSA-N 200.278 2.191 0 40 BEAB Nc1ccc(C(=O)N2CCCCCCC2)cn1 50201576 SUFBPIDWQFIBRP-UHFFFAOYSA-N 233.315 2.070 0 40 BEAB N=C(NCCN1CCCCC1)Nc1ccccc1 52048211 BCEPBTQLTSAKDR-UHFFFAOYSA-N 246.358 2.109 0 40 BEAB CCCNC(=O)[C@@H](C)Sc1nc(C)c(C)o1 58760703 HBHAUOODULNNAI-SECBINFHSA-N 242.344 2.298 0 40 BEAB Cc1nc(N2CCCCCC2)ccc1CN 72224567 CRLLUQPDDHHSPZ-UHFFFAOYSA-N 219.332 2.229 0 40 BEAB CCC[C@H](O)CNC(=O)Nc1ccc(C)s1 75416766 TWKAQDQECIRTHS-VIFPVBQESA-N 242.344 2.339 0 40 BEAB C[C@@H]1CCCCCN1C(=O)Nc1ccn(C)n1 75612651 LMFKILOSSUMEAU-SNVBAGLBSA-N 236.319 2.217 0 40 BEAB CC(C)(C)OC(=O)c1cccc(CCN)c1 82599482 VEFODRCVLNFLRY-UHFFFAOYSA-N 221.300 2.143 0 40 BEAB CCCCC(=O)NC(C)(C)C(C)(C)C(=O)O 83643903 COALHSRQSVNHHZ-UHFFFAOYSA-N 229.320 2.182 0 40 BEAB CC(C)[C@@H](N)c1cncc(Br)c1 84191767 MACHDQGVTVCRIA-SECBINFHSA-N 229.121 2.500 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1O 95348156 FXVLUNMZSAJYNE-VHSXEESVSA-N 229.320 2.205 0 40 BEAB CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 95404071 PNPLLXYCHPWYRE-JSGCOSHPSA-N 215.296 2.027 0 40 BEAB CC(C)(C)OC(=O)Nc1ccc(C=O)nc1 95761689 YIMQDCYUTZLZBH-UHFFFAOYSA-N 222.244 2.241 0 40 BEAB in-vitro CC1=C[C@@H](c2ccccc2)n2ncnc2N1 100092094 KMMGBMZDAKTMQO-NSHDSACASA-N 212.256 2.197 0 40 BEAB COc1cc2c(cc1OC)[C@@H]1C=C[C@@H]2O1 100815350 BULFJJILZUREET-UWVGGRQHSA-N 204.225 2.386 0 40 BEAB O=S(=O)(c1ccccc1)C12C3[C@H]1CCC[C@H]32 103786381 NSLOGIRCCYECDD-OKZRHMCRSA-N 234.320 2.259 0 40 BEAB CCCCN(CCCC)C(=O)Cn1ccnc1 104664311 KWWNQYUWVPTFBN-UHFFFAOYSA-N 237.347 2.312 0 40 BEAB N[C@@H]1CCc2cccc(Br)c21 107213916 AKVBYYMULNIGLH-MRVPVSSYSA-N 212.090 2.395 0 40 BEAB CSc1ccc(-n2cc([C@H](C)O)nn2)cc1 163362531 MKZBPGRIYJUJCG-QMMMGPOBSA-N 235.312 2.043 0 40 BEAB c1ccc2c(c1)CCN(Cc1cocn1)C2 191055488 OJQUCDWEHOAGOS-UHFFFAOYSA-N 214.268 2.233 0 40 BEAB CNc1nc([C@@H]2CCCCN2)cn2cccc12 205686986 LNLXNWJISTXQGE-JTQLQIEISA-N 230.315 2.191 0 40 BEAB Cc1cc2c(cc1Br)CCNC2 216201569 OTXAJYKAFJEVEF-UHFFFAOYSA-N 226.117 2.403 0 40 BEAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CO2 217991414 KCWTUTJWGBZQPM-CABZTGNLSA-N 227.304 2.032 0 40 BEAB COC(=O)C[C@@H]1COc2cc(C)ccc21 218394017 GCGSNIJFPMFHPI-SECBINFHSA-N 206.241 2.034 0 40 BEAB Cc1c(O)c2cc(Cl)ccc2[nH]c1=O 222241654 FRLWLFMHONJHRA-UHFFFAOYSA-N 209.632 2.196 0 40 BEAB O=C(c1ccccc1F)N1CCc2oncc2C1 225675644 MFGXXPRSTSBLIN-UHFFFAOYSA-N 246.241 2.012 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1 245333856 BJAKPGOJIDRMHT-LPEHRKFASA-N 205.257 2.198 0 40 BEAB CCc1cc(CO)c2cccc(OC)c2n1 685936833 CAJAGVVRAJDVCA-UHFFFAOYSA-N 217.268 2.298 0 40 BEAB Cc1coc(CN2CCCc3c(cnn3C)C2)c1 894988337 XYRSPPZBTVTTOS-UHFFFAOYSA-N 245.326 2.270 0 40 BEAB CC(C)(C)NC[C@@H](O)c1ccccc1F 311 XTJMTDZHCLBKFU-LLVKDONJSA-N 211.280 2.247 0 40 BEAB in-man Nc1n[nH]c2c(C(F)(F)F)cccc12 332243 RLNKCXFTRPDGAP-UHFFFAOYSA-N 201.151 2.164 0 40 BEAB in-vitro CO[C@H](C)CCOC(=O)COc1ccccc1 2046597 OBVOEOZGGDNWNO-LLVKDONJSA-N 238.283 2.034 0 40 BEAB CCn1ccc(CNC(=O)c2ccccc2C)n1 2796497 LCKCCWXUHNYRCZ-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB Cc1nc(N)sc1Cc1ccc2c(c1)OCO2 3273943 BUUMKDSKHIODBE-UHFFFAOYSA-N 248.307 2.353 0 40 BEAB Cc1cccc(Nc2ncnc3[nH]cnc23)c1 4059872 VPNQRIINNCGTDE-UHFFFAOYSA-N 225.255 2.405 0 40 BEAB CC(=O)[C@H]1CCN(Cc2ccccc2)C1 5712813 JKIQGQRVJAOUFQ-ZDUSSCGKSA-N 203.285 2.098 0 40 BEAB in-vitro CO[C@@H]1NC(=S)N(C2CCCCC2)C1(C)C 5742216 CULUOJGUXHAMAF-JTQLQIEISA-N 242.388 2.260 0 40 BEAB CCOC(=O)Nc1cc(C(=O)OC)ccc1C 5859875 ZNANHQAORSEWTJ-UHFFFAOYSA-N 237.255 2.350 0 40 BEAB Cc1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 6887209 RSVSXKIVEYEQFC-UHFFFAOYSA-N 243.262 2.363 0 40 BEAB C[C@H](Nc1ccc(Br)cc1)C(=O)O 8702708 WZOJQKSLTMPDCN-LURJTMIESA-N 244.088 2.334 0 40 BEAB COc1cccc(CNCCCn2ccnc2)c1 10314060 IYPOMTFEIXLCLK-UHFFFAOYSA-N 245.326 2.072 0 40 BEAB C[C@H]1CNC[C@@H](C)N1c1ccc(F)cc1 11632653 XSWIJPLJWWYSJJ-AOOOYVTPSA-N 208.280 2.012 0 40 BEAB Nc1ccc(C2=CSC3=NCCCN23)cc1 11851242 HKHQYOYARXWQJY-UHFFFAOYSA-N 231.324 2.376 0 40 BEAB in-vitro COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cn1 16230375 RDWZVHFFXXDROT-JQWIXIFHSA-N 248.326 2.399 0 40 BEAB CN(CC(=O)c1ccccc1)C1=NCCCC1 27526716 KARVFIVCKFXIFW-UHFFFAOYSA-N 230.311 2.384 0 40 BEAB Cc1ccc(CN(CC(=O)O)C(C)C)cc1 32013857 DJKWFDYNFXXSCL-UHFFFAOYSA-N 221.300 2.290 0 40 BEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccoc1 33117060 GVAUMAXRZOCTHG-LBPRGKRZSA-N 243.262 2.013 0 40 BEAB COC(=O)c1cc(C(C)(C)C)sc1N 34580016 FMRKIVIZYXHGAO-UHFFFAOYSA-N 213.302 2.414 0 40 BEAB in-vitro CC(C)C[C@@H](N)C(=O)N(C)C1CCCCC1 35220406 ZKJJZCRFXGTUOE-GFCCVEGCSA-N 226.364 2.151 0 40 BEAB in-vitro O=C1CCc2cc(Br)c(F)cc2N1 35359656 QHBQAFBBDSHWLQ-UHFFFAOYSA-N 244.063 2.473 0 40 BEAB in-vitro O=C(O)c1ccc(F)c(-n2cccc2)c1 37474016 ZPYBMROHMPJKMR-UHFFFAOYSA-N 205.188 2.315 0 40 BEAB CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1 38673895 BJOUEZQMVVKCPC-RYUDHWBXSA-N 219.284 2.043 0 40 BEAB CCN(CCN)Cc1ccc(Cl)cc1 39318905 OJJLINUDLBPOAS-UHFFFAOYSA-N 212.724 2.121 0 40 BEAB O[C@@H](c1ccc2c(c1)OCCO2)c1ccco1 40247361 FBTUWAIKBCRIQX-ZDUSSCGKSA-N 232.235 2.133 0 40 BEAB CCNCc1cc(-c2cccc(C)c2)[nH]n1 50479074 INSHUYZALYMPOW-UHFFFAOYSA-N 215.300 2.495 0 40 BEAB CC(C)C(=O)N[C@H](C)CCc1ccco1 52841424 GNHLDXWNNHQEJB-SNVBAGLBSA-N 209.289 2.373 0 40 BEAB CCOCCOC(=O)c1cc2ccccc2n1C 62532751 OEGIKNNQVLEXKS-UHFFFAOYSA-N 247.294 2.372 0 40 BEAB O[C@H](c1ccoc1)c1ccc2c(c1)OCO2 68979114 NGZHHGIZOYVRMM-LBPRGKRZSA-N 218.208 2.090 0 40 BEAB Cc1ccc(C)c(C(=O)N[C@H]2CNCC[C@H]2C)c1 71412722 ZZZQPTARSXWOBL-OCCSQVGLSA-N 246.354 2.031 0 40 BEAB CNc1ccc([C@@H](N)c2ccccc2)cn1 72225115 IZKKLRRJCJBCOU-ZDUSSCGKSA-N 213.284 2.171 0 40 BEAB c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1 72351186 ACFCSKJWRYYDAY-UHFFFAOYSA-N 242.326 2.184 0 40 BEAB COc1ncc(NC(=O)Nc2ccccc2)cn1 75172135 TVRWUIREHJWALJ-UHFFFAOYSA-N 244.254 2.129 0 40 BEAB CC(C)CCO[C@H]1CCN(Cc2ccon2)C1 83247580 JPHGTPGSZKILKG-ZDUSSCGKSA-N 238.331 2.312 0 40 BEAB CN(C)CCNc1nc2ccc(F)cc2s1 85933460 BXNNZWUQXWGDAH-UHFFFAOYSA-N 239.319 2.409 0 40 BEAB O=C([C@@H]1CCCOC1)N1CC[C@H]2CCCC[C@H]21 89818692 VXMDLWLMHWTWQH-JHJVBQTASA-N 237.343 2.204 0 40 BEAB CC1(C)C[C@H](N[C@@H]2CCC[C@@H]2CO)C(C)(C)O1 95423275 ZVKJHZJZELUAOA-UTUOFQBUSA-N 241.375 2.083 0 40 BEAB Cc1noc(C)c1CNC(=O)Nc1cccnc1 95955115 DKYVNHISCFIAHQ-UHFFFAOYSA-N 246.270 2.008 0 40 BEAB O=C(Nc1ccccc1)N1CC[C@H]2OCC[C@@H]2C1 96054946 OCQGTLKSIFYWBR-DGCLKSJQSA-N 246.310 2.329 0 40 BEAB c1coc(CN2CC[C@H]3[C@H]2CCN3CC2CC2)c1 96184391 FPALAYLYOXKNNG-LSDHHAIUSA-N 246.354 2.338 0 40 BEAB c1ccc(-c2nccn2C[C@@H]2CCCO2)nc1 108663195 ISCDCYRJOPGFGA-NSHDSACASA-N 229.283 2.124 0 40 BEAB O=C(CO)c1ccc(Br)cc1Cl 135067506 BRXRROYMBCZCFV-UHFFFAOYSA-N 249.491 2.278 0 40 BEAB CC[C@H](C)N[Si](C)(C)N[C@@H](C)CC 196282034 AOOAEHIAZBYEDV-UWVGGRQHSA-N 202.418 2.464 0 40 BEAB CC[C@H](C)NC(=S)Nc1ccc(C)cn1 225274188 WWVOZGNCXLMFFE-VIFPVBQESA-N 223.345 2.475 0 40 BEAB CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225720775 MRPOCWGPFGXDHC-JTQLQIEISA-N 233.311 2.079 0 40 BEAB Nc1cc(C(F)(F)F)c(CC(=O)O)cc1F 228906720 CYNPBRLWOVUJKJ-UHFFFAOYSA-N 237.152 2.054 0 40 BEAB N=C(Cc1ccc(F)cc1C(F)(F)F)NO 228914727 QWVMVKGWHFEYEL-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB CC(C)(C)OC(=O)NC12CCCC(CO)(C1)C2 306864482 KMHNYECOIRAMPO-UHFFFAOYSA-N 241.331 2.206 0 40 BEAB CC(C)COCc1ccn(CCF)n1 408715185 DVCAHYYMJMBGKT-UHFFFAOYSA-N 200.257 2.025 0 40 BEAB CC(C)Oc1ccc([C@H]2CC(=O)N(C)C2)cc1 366249 MOALYFXRHHPTTE-LBPRGKRZSA-N 233.311 2.420 0 40 BEAB Cc1cc[n+](C[C@@H](O)c2ccccc2)cc1 1685112 CWDIXNGPTCGMOR-CQSZACIVSA-N 214.288 2.016 0 40 BEAB O=C(NCCCn1ccnc1)Nc1ccccc1 4370312 GFVIPQJBDLCTND-UHFFFAOYSA-N 244.298 2.095 0 40 BEAB O=C(NC1CCCCCCC1)N1CCOCC1 6261892 FGZJBOCNIZAWJR-UHFFFAOYSA-N 240.347 2.141 0 40 BEAB O=C(Nc1nnc(S)s1)c1cccs1 6438220 PSIUJUHUCFDTNW-UHFFFAOYSA-N 243.338 2.141 0 40 BEAB CCOCCCOc1c(C=O)cccc1OC 8731429 DYRKWETVJOGAMG-UHFFFAOYSA-N 238.283 2.313 0 40 BEAB Cn1ccnc1[C@H](N)c1ccccc1Cl 11735188 FCOWEDHMZHDPIM-SNVBAGLBSA-N 221.691 2.122 0 40 BEAB CC(C)CCC(=O)N1CC(=O)Nc2ccccc21 12983952 YXYWIXSZZUUPHY-UHFFFAOYSA-N 246.310 2.408 0 40 BEAB Nc1ccc2nc(-c3cscn3)[nH]c2c1 13679482 CUDHOGCHOXYXRZ-UHFFFAOYSA-N 216.269 2.269 0 40 BEAB in-vivo CC[C@H](C)C(=O)c1c(O)cc(O)c(C)c1O 14593823 XGJQNJPFHJCFDN-LURJTMIESA-N 224.256 2.341 0 40 BEAB biogenic C[C@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)N1 15417887 QESTVEVMZBMELA-DTORHVGOSA-N 239.750 2.109 0 40 BEAB CCOc1cc(C(=O)NC(C)C)ccc1OC 17300372 ZTGWRUJHYWZERR-UHFFFAOYSA-N 237.299 2.232 0 40 BEAB CCNC1CCN(Cc2ccccc2)CC1 19514069 SJWKLNGMIHLOJX-UHFFFAOYSA-N 218.344 2.261 0 40 BEAB OCCNc1ccc(C(F)(F)F)cc1 20046373 GYUHDZLHKQMXPN-UHFFFAOYSA-N 205.179 2.110 0 40 BEAB CC(C)n1ncc(N2CCCC2)c(Cl)c1=O 27757212 YNMSWVKECMVVNZ-UHFFFAOYSA-N 241.722 2.078 0 40 BEAB Cc1nn(C)c(C)c1CNC(=O)CC(C)(C)C 32648305 BGZACTXPOWSAAM-UHFFFAOYSA-N 237.347 2.089 0 40 BEAB Cn1cccc1C(=O)NCCc1cccc(F)c1 32745063 OJVYSYXKOLALJE-UHFFFAOYSA-N 246.285 2.137 0 40 BEAB C[C@H]1CN(c2nc3ccccc3n2C)C[C@H](C)O1 33863905 JRZHYBYMOSOUES-QWRGUYRKSA-N 245.326 2.187 0 40 BEAB COc1cccc(C=O)c1OCC1CC1 36765385 VFWBDIPOMLBVTE-UHFFFAOYSA-N 206.241 2.297 0 40 BEAB Clc1ccc2nnc(-c3ccoc3)n2n1 36903743 CRMPIRWMELXSAV-UHFFFAOYSA-N 220.619 2.038 0 40 BEAB CC1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 40161231 PARAMXZQUOLVEO-LBPRGKRZSA-N 238.375 2.166 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)cc(N)c1 40295145 BPHAAFREIMMNSE-NXEZZACHSA-N 247.342 2.254 0 40 BEAB COC(=O)CCC(=O)c1cccc(Cl)c1 43368574 SNPDGVYJSBNWSZ-UHFFFAOYSA-N 226.659 2.476 0 40 BEAB Fc1cc(Br)nc2[nH]ccc12 44700179 RYWIJDWBODPRKB-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB O=S1(=O)[C@H]2C=CC=C[C@@H]1c1ccccc12 45027860 LXLBCNMDWBUZTO-TXEJJXNPSA-N 218.277 2.323 0 40 BEAB Cc1ccccc1SCC(=O)NC1CC1 48089523 UUALMUAWOZUWAY-UHFFFAOYSA-N 221.325 2.366 0 40 BEAB Cn1c(C(=O)Nc2cc[nH]n2)cc2ccccc21 49449558 GFTMVNKYOVDLGO-UHFFFAOYSA-N 240.266 2.154 0 40 BEAB C[C@@H](N)c1nc(-c2cccc(Cl)c2)n[nH]1 61843953 SYZAYAJHEOFDMY-ZCFIWIBFSA-N 222.679 2.145 0 40 BEAB Cc1ccccc1C(=O)N1CCC[C@@H](C)[C@@H]1CN 70176663 OGWZDUBOIVNKHI-OCCSQVGLSA-N 246.354 2.194 0 40 BEAB NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 70460086 JXXCPOSAHGGYAK-UHFFFAOYSA-N 242.326 2.004 0 40 BEAB CN(Cc1cccc2cccnc12)CC(C)(C)O 71908306 RAATXGSHASEGPR-UHFFFAOYSA-N 244.338 2.438 0 40 BEAB CC[C@@H](N)c1cnc(N2CCCC2)cc1C 72223482 QFUJZJLYQDNLJD-GFCCVEGCSA-N 219.332 2.400 0 40 BEAB CCCn1nc(Br)cc1C 72339539 PDBUAVDHSKSNLN-UHFFFAOYSA-N 203.083 2.364 0 40 BEAB CC(C)(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 80873727 WCKGBALINBJFPX-UHFFFAOYSA-N 249.289 2.364 0 40 BEAB CCOC(=O)[C@H]1CC[C@H](c2ccccc2)NC1 82299879 VRIDQIGLSYHFCH-QWHCGFSZSA-N 233.311 2.290 0 40 BEAB Cc1ccc(C(N)=O)cc1NCC(C)C 83344699 DXSLGISFHRIZEP-UHFFFAOYSA-N 206.289 2.162 0 40 BEAB C[C@H](Cc1ccoc1)NC(=O)c1ccoc1 84835333 BDURHRXQEMKCKT-SECBINFHSA-N 219.240 2.234 0 40 BEAB C[C@]1(CO)CCC[C@H]1Nc1cccc(F)n1 96427228 RILYTQYABVNSCC-BXKDBHETSA-N 224.279 2.184 0 40 BEAB CC(=O)CC(=O)c1c[nH]c2ccccc12 100078712 IQKLQVQBEWGKJL-UHFFFAOYSA-N 201.225 2.330 0 40 BEAB CC(C)n1nnc2cncc(Br)c21 211356008 UVHJUQCIFHSGAP-UHFFFAOYSA-N 241.092 2.170 0 40 BEAB CNC(=O)c1ccc(Nc2ccccc2)c(N)c1 212199101 OBVUNERDQXGKIW-UHFFFAOYSA-N 241.294 2.372 0 40 BEAB COc1cccc(-c2nnc(-c3cnco3)o2)c1 216611278 VQVYFKNPKOMMCA-UHFFFAOYSA-N 243.222 2.400 0 40 BEAB COC(=O)[C@H]1Cc2cc3ccccc3nc2C1 217913549 ZYQFUWMONCWSCF-NSHDSACASA-N 227.263 2.123 0 40 BEAB O=C(O)CCc1nc(Cl)n2ccccc12 225745818 RCKMMIROYOBXJR-UHFFFAOYSA-N 224.647 2.005 0 40 BEAB CCc1nn(C)c(C(N)=O)c1-c1cccc(C)c1 228946369 UROGPNPGBLMBCV-UHFFFAOYSA-N 243.310 2.057 0 40 BEAB Cc1ccnc([C@@H]2CCCN(C(C)C)C2)n1 257288414 PUBYBIWMKZJSQV-GFCCVEGCSA-N 219.332 2.373 0 40 BEAB CC(C)N(C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257331404 XSRVVUUKGUQBLT-ILXRZTDVSA-N 249.354 2.298 0 40 BEAB CC(C)c1cc(N)nc2cc(C(F)(F)F)nn12 258264931 NLQODVYXASWWEF-UHFFFAOYSA-N 244.220 2.454 0 40 BEAB O=Cc1ccc(OC(F)(F)F)c2[nH]ncc12 261509090 ZSUGBUKFXOZKKY-UHFFFAOYSA-N 230.145 2.274 0 40 BEAB Cn1nccc1-c1ccc2c(c1)OCCC[C@@H]2O 521396566 NRRYWKBSONUYKA-ZDUSSCGKSA-N 244.294 2.293 0 40 BEAB Cc1cc(CC(=O)N(C)CC2CCCC2)on1 557582449 RVQRKLGYXNOILT-UHFFFAOYSA-N 236.315 2.174 0 40 BEAB Cc1noc(C)c1CN[C@H]1CCC[C@@H]1F 585385509 BXQQQECVOGMLBP-QWRGUYRKSA-N 212.268 2.272 0 40 BEAB c1ccc(CCn2nnnc2-c2ccco2)cc1 1481371 VLFVFXOMMVYGEH-UHFFFAOYSA-N 240.266 2.176 0 40 BEAB CCCCN(C)CCOC(=O)N(CC)CC 1677409 NUCSQNQBXDPPJF-UHFFFAOYSA-N 230.352 2.197 0 40 BEAB Cn1cnc2c(Cl)nc(C(F)(F)F)nc21 1692549 LWTNWXVWAMZYET-UHFFFAOYSA-N 236.584 2.036 0 40 BEAB Cn1cc(SC(=N)N)c2ccccc21 3866088 GNUHVXYYOSTZTD-UHFFFAOYSA-N 205.286 2.164 0 40 BEAB Cc1nc2c(oc3ccccc32)c(=O)o1 4039918 UMUUTEZBWGDVDA-UHFFFAOYSA-N 201.181 2.243 0 40 BEAB biogenic CO[C@H]1C=C[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 4727108 CULHEDOHPOHBOT-FQUUOJAGSA-N 248.278 2.028 0 40 BEAB O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 5117201 HMMMTSXSWRPUOJ-LLVKDONJSA-N 222.675 2.270 0 40 BEAB O=C(CCCc1ccccc1)NC1=NCCS1 7045221 DGHFUFHOSHQWRE-UHFFFAOYSA-N 248.351 2.228 0 40 BEAB C1CCc2sc([C@H]3CCCNC3)nc2C1 11632032 YCLWGQNLLSBAOE-VIFPVBQESA-N 222.357 2.489 0 40 BEAB in-vitro CCc1cccc(N[C@@H]2CCCCNC2=O)c1 12545641 OPZOYFWVRBHYHZ-CYBMUJFWSA-N 232.327 2.330 0 40 BEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 12977072 JXAGVEKCVKBHDZ-SKDRFNHKSA-N 237.274 2.182 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1F 12979413 NDKGSXPHKMSDJX-KOLCDFICSA-N 221.275 2.440 0 40 BEAB Fc1cccc(Nc2ncnc3[nH]ncc23)c1 13687055 MOPUQFYNNVMCTC-UHFFFAOYSA-N 229.218 2.236 0 40 BEAB CCOc1ccccc1NC(=O)c1cnn(C)c1 27937809 SMORXTOIVPCIGO-UHFFFAOYSA-N 245.282 2.071 0 40 BEAB CC[C@H](C)NC(=O)c1ccc(Cn2cccn2)o1 28576840 LCRBXKMFKOKZAC-JTQLQIEISA-N 247.298 2.053 0 40 BEAB Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C)c1 32760759 JXKCBEJQWITBPW-ZYHUDNBSSA-N 203.285 2.267 0 40 BEAB CCOC(=O)c1cnn(C(C)(C)C)c1C 34114651 IQQXXBQOAYYBRE-UHFFFAOYSA-N 210.277 2.123 0 40 BEAB O=C(O)[C@]1(c2cccnc2)CCCCS1 34217648 WBPLDMSATBXJTE-LLVKDONJSA-N 223.297 2.279 0 40 BEAB Cn1cccc1CN(C(=O)c1ccco1)C1CC1 35277313 UGFHDUADIGWDMK-UHFFFAOYSA-N 244.294 2.423 0 40 BEAB COc1cccc([C@H](CN)N2CCC[C@H](C)C2)c1 36092662 AEZAJJACDUCXGH-WFASDCNBSA-N 248.370 2.427 0 40 BEAB Fc1ccc(NCc2csnn2)cc1F 36901916 RNIYJLKWATYGIV-UHFFFAOYSA-N 227.239 2.428 0 40 BEAB COc1cccc(C(F)(F)F)c1CC(=O)O 38529861 ZHLWLKKEYBOIHC-UHFFFAOYSA-N 234.173 2.341 0 40 BEAB CCn1nc(C(C)C)cc1C(=O)NCC(C)C 40505576 KZCFIRTYLDFBIU-UHFFFAOYSA-N 237.347 2.412 0 40 BEAB Cc1cc(C(=O)NC(C)C)nn1-c1ccccc1 41453698 ROZZQIPXYILHCD-UHFFFAOYSA-N 243.310 2.319 0 40 BEAB CN(C)CCCNc1cccc(Cl)n1 42784006 YSOGNYBXGVTXCI-UHFFFAOYSA-N 213.712 2.099 0 40 BEAB C/C=C\c1ccc(OCCNC(C)=O)c(OC)c1 45022102 GSAFHYSAZDJFGS-PLNGDYQASA-N 249.310 2.243 0 40 BEAB CCc1cc(=O)[nH]c(-c2ccc(Cl)nc2)n1 57218631 KJWIEZHLQZFWCS-UHFFFAOYSA-N 235.674 2.048 0 40 BEAB in-vitro COc1ncc2cc(Br)ccc2n1 67172084 RBTUNJGGBBBJTC-UHFFFAOYSA-N 239.072 2.401 0 40 BEAB Cn1ccnc1[C@H](O)CCc1ccccc1 69028408 VQSZXGMRUDDAGZ-GFCCVEGCSA-N 216.284 2.086 0 40 BEAB in-vitro Cc1ccccc1C(=O)N1CCC[C@@H](C)[C@H]1CN 70176665 OGWZDUBOIVNKHI-TZMCWYRMSA-N 246.354 2.194 0 40 BEAB O=C(O)c1nc[nH]c1-c1ccc(Cl)cc1 71524750 SBMCCCMQIJDXKC-UHFFFAOYSA-N 222.631 2.428 0 40 BEAB Cc1cc(N)nc(SCc2cccnc2)n1 71850743 ZIZLPRWWVJDTAB-UHFFFAOYSA-N 232.312 2.055 0 40 BEAB CC(C)(C)OC(=O)N1CCN[C@H](C(C)(C)C)C1 71863763 LCTYDUNZQLEACC-JTQLQIEISA-N 242.363 2.241 0 40 BEAB O=C(N[C@@H]1CC[C@H](CO)C1)OCc1ccccc1 72190697 FDKXYQLCKKQFKQ-QWHCGFSZSA-N 249.310 2.074 0 40 BEAB O=C(O)c1c[nH]cc1-c1ccccc1O 72207382 UGFWMYDUALIKLM-UHFFFAOYSA-N 203.197 2.086 0 40 BEAB Cc1cc([C@@H](C)O)cnc1Br 72221914 VNDUEENDOUZECN-ZCFIWIBFSA-N 216.078 2.206 0 40 BEAB Oc1n[nH]c2nc(-c3ccccc3)ccc12 73647503 ZTNVZYCGSMDLET-UHFFFAOYSA-N 211.224 2.331 0 40 BEAB Cc1nc(C)c(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)o1 73990554 MCUDEYSDUPZGRN-RYUDHWBXSA-N 246.310 2.330 0 40 BEAB CC(C)(C)C(=O)NC[C@](C)(O)c1cccs1 75155801 RUUAKJAZMWDFOH-LBPRGKRZSA-N 241.356 2.118 0 40 BEAB O=C(O)c1csc(C(=O)c2ccccc2)n1 75870684 VSEMROMIKAJVFV-UHFFFAOYSA-N 233.248 2.072 0 40 BEAB O=C(NCC[C@H](O)c1cccs1)C1CCC1 77113071 LZEDSYSWQGNSMZ-JTQLQIEISA-N 239.340 2.088 0 40 BEAB CCn1ccc([C@H](C)NCCCOC)c1 78406194 GIOTVBWFONAQSR-NSHDSACASA-N 210.321 2.195 0 40 BEAB Cn1cncc1[C@@H](O)CCc1ccccc1 82238045 VULNFYJJEVKDEJ-ZDUSSCGKSA-N 216.284 2.086 0 40 BEAB CN(C)C(=O)c1c[nH]c2ccc(F)cc12 82272943 FUZOKEHQKAXTQN-UHFFFAOYSA-N 206.220 2.009 0 40 BEAB CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 85520013 AUBPIXRPSSUKAZ-NWDGAFQWSA-N 205.301 2.452 0 40 BEAB in-vitro CCn1nc(N)c2cc3ccccc3nc21 89261471 NMZXWDRVKFKNOD-UHFFFAOYSA-N 212.256 2.187 0 40 BEAB CN(CCC(=O)O)Cc1ccccc1C1CC1 94529163 QPBAYDHNGUPJFT-UHFFFAOYSA-N 233.311 2.471 0 40 BEAB O=C1C=C(Nc2ccc(F)c(Cl)c2)CO1 96191664 FYYSTDYROFCDBY-UHFFFAOYSA-N 227.622 2.332 0 40 BEAB O=C(Nc1ccncc1F)c1ccncc1F 97032097 WNAJEBDFVBCARN-UHFFFAOYSA-N 235.193 2.007 0 40 BEAB Cc1cc(F)cc(N)c1Br 97442004 KJRKUQZCTNUGFV-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB in-vitro COCc1nc(C)cc(N2C[C@H]3[C@H](C2)C3(C)C)n1 101393969 FCSNQOWLKQPSKM-QWRGUYRKSA-N 247.342 2.024 0 40 BEAB CCOC(=O)C(=O)c1c[nH]c2ccc(F)cc12 111683424 JLGFKONPMDVGBH-UHFFFAOYSA-N 235.214 2.053 0 40 BEAB Cn1nc(Br)c2c(Cl)nccc21 217818483 IDRYVCBTFQOSCB-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB CCc1ccc(C(CC(=O)O)CC(=O)O)s1 218315864 CGWBFVHQFFMAJX-UHFFFAOYSA-N 242.296 2.344 0 40 BEAB CC(C)Cn1c(N)nc2ccc(Cl)nc21 221309842 GJLOYOQSWRHFGI-UHFFFAOYSA-N 224.695 2.323 0 40 BEAB CCCN1C(=O)/C(=C/c2ccccc2)NC1=S 223064786 HNHFALQSWLPRKV-LUAWRHEFSA-N 246.335 2.154 0 40 BEAB C[C@@H]1C[C@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2CN)O1 242495142 FWJZILYJODZJNY-ZOZBQHSOSA-N 237.265 2.327 0 40 BEAB c1ccc([C@H]2CO[C@]3(CCCNC3)C2)cc1 306125781 DBXZIYYRNBVLBF-ZIAGYGMSSA-N 217.312 2.313 0 40 BEAB CCOC(=O)c1cc(F)cc(O)c1Cl 575699759 CQMCFGKUEXFDNV-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB Cc1cc(CN(C)[C@@H]2CCCOC2)sn1 639173299 SDMWNZOJBSUCAY-SNVBAGLBSA-N 226.345 2.062 0 40 BEAB CCn1cc(Cl)c(Br)n1 953023138 CQDGMQIGABILOY-UHFFFAOYSA-N 209.474 2.319 0 40 BEAB COC(=O)c1cc(CC2CC2)c(O)c(OC)c1 1554770627 NWHICIVYQMATGK-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB CC[C@H](C(=O)OC)c1ccc(C2CNC2)cc1 2362804941 VYVMDZHPIJWTGI-ZDUSSCGKSA-N 233.311 2.040 0 40 BEAB Cc1[nH]c2c(C)cccc2c1CC(=O)O 1577689 JLNVPHNEFPHGPD-UHFFFAOYSA-N 203.241 2.412 0 40 BEAB in-vitro c1cnc2c(NC3CCCCC3)ncnc2n1 1763164 VPIDZTXXRZLFDP-UHFFFAOYSA-N 229.287 2.164 0 40 BEAB CCOC(=O)CCC(=O)c1cccc(F)c1 2378906 WMDPIZGDPAHEAY-UHFFFAOYSA-N 224.231 2.352 0 40 BEAB CCOC(=O)CC(=O)Cc1cccc(C)c1 2518214 LCCIUSRDKNOGKA-UHFFFAOYSA-N 220.268 2.060 0 40 BEAB in-vitro COc1c(F)ccc(/C=C/C(=O)O)c1F 2527860 MVSJBWJGXKYERG-HWKANZROSA-N 214.167 2.071 0 40 BEAB CCC(C)(C)NC(=O)c1nn(C)c(C)c1Cl 2782613 KMKFCYWGMYBUTQ-UHFFFAOYSA-N 243.738 2.300 0 40 BEAB CC[C@H](C)c1cc(N)c(O)c(C(=O)O)c1 3160634 IBUMJRAUSROXER-LURJTMIESA-N 209.245 2.186 0 40 BEAB CCCN(CCC)c1cccc(C(=O)O)n1 3286645 NMVFYGDLIJENSW-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB CC(C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4029564 OKDZSBOUVNBQMR-QWHCGFSZSA-N 239.359 2.450 0 40 BEAB biogenic,in-vitro CCCNC(=O)c1ccc2ccccc2n1 9495272 UQWJQEITFAIVIJ-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB Cc1cc(C(=O)NC2CC2)c(C)n1C1CC1 9762639 IWYIWRSQFHBHBS-UHFFFAOYSA-N 218.300 2.332 0 40 BEAB CCOc1cccc(C[C@@H](C)C(=O)O)c1 11976552 LHHHNVSYSLFAJR-SECBINFHSA-N 208.257 2.349 0 40 BEAB O=C1NC(=O)/C(=C/c2cccc(F)c2)S1 12407294 FHRKKLBIQCOIMF-YVMONPNESA-N 223.228 2.150 0 40 BEAB CCc1nc2c3ccccc3nc(S)n2n1 13638880 CJEACARGZQMENQ-UHFFFAOYSA-N 230.296 2.129 0 40 BEAB CCCN[C@@H]1CCc2c(O)cccc2C1 13759798 VCYPZWCFSAHTQT-LLVKDONJSA-N 205.301 2.249 0 40 BEAB world CC(C)[C@@H](N[C@H](C)CC(N)=O)c1cccs1 13985877 UXYWRECTIXXIAQ-BXKDBHETSA-N 240.372 2.299 0 40 BEAB CCCCC(CO)(CCCC)C(=O)O 16124998 XTIHHZUPKYEOEE-UHFFFAOYSA-N 202.294 2.430 0 40 BEAB COc1ccc(C(=O)Nc2ccncc2)cc1F 17585512 OEADQYRVBAJCNR-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB c1cncc(NCc2ccc3c(c2)OCCO3)c1 20086072 VAQRWTIJERHSCC-UHFFFAOYSA-N 242.278 2.465 0 40 BEAB CC[C@@H](CO)N[C@@H](C)c1ccccc1OC 20194855 HTJFCOKMDJSZPA-QWRGUYRKSA-N 223.316 2.117 0 40 BEAB Cn1ccc(NCc2cccc(F)c2F)n1 20350246 YPJZQBGEAWGIST-UHFFFAOYSA-N 223.226 2.310 0 40 BEAB CONC(=O)C(c1ccccc1)c1ccccc1 25822875 QSTLCUVQBPJRKW-UHFFFAOYSA-N 241.290 2.496 0 40 BEAB NCCNc1ccc2cc(Cl)ccc2n1 32518068 GSJRYVPLMAPSTA-UHFFFAOYSA-N 221.691 2.259 0 40 BEAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C)o1 33024047 HSLOQPQVCFLQIG-KWQFWETISA-N 207.273 2.202 0 40 BEAB O=C(OCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H]2N1 33691988 KEDWLCOPRDSQBB-HZSPNIEDSA-N 245.322 2.260 0 40 BEAB CCN(CC)C(=O)c1ccccc1NC 34440644 FMRQYPVQZAETPH-UHFFFAOYSA-N 206.289 2.210 0 40 BEAB Cc1ccc(CNC(=O)c2ccoc2C)cn1 40539884 AJJANXIKKGCYHR-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB Cc1nc(CC(=O)NCCC(C)C)cs1 48309609 ZQGPUHSPTWMUPD-UHFFFAOYSA-N 226.345 2.156 0 40 BEAB COC(=O)CN1CCC[C@H]1c1ccc(F)cc1 55506535 BFZWFTYQVMTZEB-LBPRGKRZSA-N 237.274 2.136 0 40 BEAB CC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C 58314444 ZTWBOEFHVMJFIG-SNVBAGLBSA-N 243.310 2.378 0 40 BEAB O=C1CCc2c(Br)cccc2O1 59326506 PBNMSAFNWZBJIQ-UHFFFAOYSA-N 227.057 2.301 0 40 BEAB COc1cc(F)ccc1NC(=O)c1cccn1C 69488464 SWFDTYLCKNKNAZ-UHFFFAOYSA-N 248.257 2.425 0 40 BEAB O=C([C@H]1CC=CCC1)N1CC[C@H](c2cc[nH]n2)C1 72187623 ANRCWAUUNYCYJA-RYUDHWBXSA-N 245.326 2.082 0 40 BEAB Cc1nc(S)ccc1[C@@H]1CCCCN1 72218392 IFRIRUFZJQLFDR-JTQLQIEISA-N 208.330 2.493 0 40 BEAB CC(=O)Nc1c(C(=O)O)cnc2c(F)cccc12 72219708 ULVAHRIPITZEJG-UHFFFAOYSA-N 248.213 2.031 0 40 BEAB COc1ccc(C2(C(=O)O)CCC2)cc1F 75070727 QDFBYWOJVBKNKI-UHFFFAOYSA-N 224.231 2.341 0 40 BEAB Cc1nc([C@H]2CCCN2CC(F)(F)F)no1 75573157 VGCNDVLDGWFWKQ-SSDOTTSWSA-N 235.209 2.077 0 40 BEAB Nc1ccc(F)c(OCC(F)(F)F)c1 75881740 GCPKNERJBYKLFN-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB CC1(C)CN(C(=O)C2=CCCCO2)CCS1 83005948 JDTNEOZQPDQEKA-UHFFFAOYSA-N 241.356 2.035 0 40 BEAB NC[C@@H](NCc1ccccc1)c1ccco1 83764337 LWDALBLPFPHENJ-GFCCVEGCSA-N 216.284 2.069 0 40 BEAB in-vitro Cc1cc(C)n(Cc2ccn(C(C)C)n2)n1 85171237 YZYAKMCYSVXUQV-UHFFFAOYSA-N 218.304 2.326 0 40 BEAB CC(C)(N)c1ccccc1OC(F)F 89262696 CGGGYTBUDRSEMD-UHFFFAOYSA-N 201.216 2.482 0 40 BEAB CC1(C)CCCN(C(=O)c2ccc(CN)o2)C1 94572235 RDVVJWAARRXYGB-UHFFFAOYSA-N 236.315 2.001 0 40 BEAB O[C@@H]1CCCc2c(Br)cncc21 95835438 WAUCFCDXBSONNH-SECBINFHSA-N 228.089 2.214 0 40 BEAB in-vitro COc1ccccc1CCCN1CCC[C@H](N)C1 96523531 BNYALFWKUZBGAV-AWEZNQCLSA-N 248.370 2.051 0 40 BEAB CC[C@@H](O)Cc1cc(F)c(F)c(F)c1 96543535 WDJUXZHOBYMZIN-SSDOTTSWSA-N 204.191 2.417 0 40 BEAB CC(C)C[C@H]1CCCN1C(=O)c1ncccc1O 97102386 PJVUGWLUVKDKQM-LLVKDONJSA-N 248.326 2.438 0 40 BEAB CCc1nc(CSc2nc(C)c(C)o2)n[nH]1 195568290 ZXERCEAFBCLYDL-UHFFFAOYSA-N 238.316 2.264 0 40 BEAB COc1ccc2nc(C)cc(NCCCN)c2c1 222690098 DBMAWUJKEUXWRW-UHFFFAOYSA-N 245.326 2.313 0 40 BEAB CSC[C@H](C)NC[C@@H]1CCSC1 224467737 ZVKBENWWYRROMX-IUCAKERBSA-N 205.392 2.081 0 40 BEAB CCOCCN1CCCC[C@@H]1c1[nH]ncc1C 257260432 LCUUZVGZSSCPFU-GFCCVEGCSA-N 237.347 2.282 0 40 BEAB CC(C)(C)OC(=O)NC1CC2(CCC2=O)C1 263619783 AKASKWHHFZKRSH-UHFFFAOYSA-N 225.288 2.023 0 40 BEAB Cc1noc(C)c1CN[C@@H]1CCC[C@@H]1F 336484053 BXQQQECVOGMLBP-WDEREUQCSA-N 212.268 2.272 0 40 BEAB O=C(O)[C@H]1[C@H]2c3cc(Cl)ccc3C[C@H]21 536956349 WLJLPPNLAMGCOO-KXUCPTDWSA-N 208.644 2.310 0 40 BEAB CC(C)Cn1c(O)nnc1C1CC=CC1 585651381 OTZSPENIHLCJGC-UHFFFAOYSA-N 207.277 2.073 0 40 BEAB CC(=O)CCOCC(Cl)(Cl)Cl 1083809167 RYKOILOBEAXNQR-UHFFFAOYSA-N 219.495 2.352 0 40 BEAB COc1ccc(-c2ncccc2O)cc1OC 1512554 JFDJCKRMLIGDHB-UHFFFAOYSA-N 231.251 2.471 0 40 BEAB biogenic CCC(O)(CC)[C@H](C(=O)O)c1ccccc1 1577594 HJEDWYXIJNWHJL-NSHDSACASA-N 222.284 2.406 0 40 BEAB CCC(=O)OC1CCC(OC(=O)CC)CC1 1694346 CMPRSMDSUYWTMZ-UHFFFAOYSA-N 228.288 2.204 0 40 BEAB Cc1c(CNCc2ccccc2)cnn1C 2536053 OSVIVUOXDAUDMR-UHFFFAOYSA-N 215.300 2.018 0 40 BEAB CN1C(=O)C[C@H]2C[C@@]1(C)Oc1ccccc12 2765603 LFJWBPVQUSINGS-TVQRCGJNSA-N 217.268 2.131 0 40 BEAB O=C(O)c1ccnc([C@@H]2CCCCC2=O)c1 4228186 PZJPDEBEAYCCIA-VIFPVBQESA-N 219.240 2.007 0 40 BEAB CCOC(=O)c1ccsc1NC(=O)CC 4275713 KECLMWRRWFNCSE-UHFFFAOYSA-N 227.285 2.273 0 40 BEAB CN(C)c1ccc2cc(C(=O)O)oc2c1 5027343 PXDNQIZFKMJABT-UHFFFAOYSA-N 205.213 2.197 0 40 BEAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1 6078219 DNIGKSYXGNVVMB-UHFFFAOYSA-N 243.266 2.046 0 40 BEAB CCc1c(C(=O)O)cnn1-c1cccc(C)c1 6773980 ASOKVIGFUSGAKD-UHFFFAOYSA-N 230.267 2.441 0 40 BEAB in-vitro CCCNC(=O)c1cncn1-c1ccc(F)cc1 12535379 XWPQNBXBAMHKNK-UHFFFAOYSA-N 247.273 2.151 0 40 BEAB Nc1cc2ccccc2nc1C1CCNCC1 19376246 WQEQSIVCBPSQKI-UHFFFAOYSA-N 227.311 2.284 0 40 BEAB CCN(C(=O)c1ccc(=O)[nH]c1)c1ccccc1 20303934 LAGYKSMBOOPIFO-UHFFFAOYSA-N 242.278 2.042 0 40 BEAB O=C1Nc2c(Cl)ccc(C(F)(F)F)c2C1=O 22210160 ULONHZDBUQGJBT-UHFFFAOYSA-N 249.575 2.494 0 40 BEAB Cc1ccc2c(=O)cc(C(=O)O)oc2c1C 26438993 DODHMEPTYFCWNA-UHFFFAOYSA-N 218.208 2.108 0 40 BEAB Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cn1 32787766 IDDFUWPPEVJXIQ-GXFFZTMASA-N 247.342 2.436 0 40 BEAB Cc1ccnc(I)c1F 34218221 ZAFHZEAEWJKQJM-UHFFFAOYSA-N 237.015 2.134 0 40 BEAB CCN(Cc1ccccc1C)C(=O)[C@H]1CCCN1 35208251 TVIPRBKKQDBFFN-CQSZACIVSA-N 246.354 2.096 0 40 BEAB CCn1cnc2c(-c3ccccc3)c[nH]c2c1=O 35462725 NGRHRRREGUGOJY-UHFFFAOYSA-N 239.278 2.412 0 40 BEAB CCOC(=O)c1cccc(Br)c1N 37475352 MSSHUVIRFCGOPM-UHFFFAOYSA-N 244.088 2.208 0 40 BEAB CNCc1cccc(OCC(F)F)c1 37755489 GCHHKDZFDNETRE-UHFFFAOYSA-N 201.216 2.050 0 40 BEAB C1CCC(CCNC2CCNCC2)CC1 38041473 PVYQYFUUXLPJOX-UHFFFAOYSA-N 210.365 2.298 0 40 BEAB CC(=O)Cn1c(C)cc(=O)c2cccc(C)c21 40164129 QGCFETDVPXGAEE-UHFFFAOYSA-N 229.279 2.207 0 40 BEAB CCN(CC)[C@H](C)c1nc2ccccc2c(=O)[nH]1 40463446 SDDMTCRMHJWSHQ-SNVBAGLBSA-N 245.326 2.326 0 40 BEAB C[C@@H](NCCn1ccnc1)c1ccccc1 41042008 TWPZMMIDJVNXRY-GFCCVEGCSA-N 215.300 2.234 0 40 BEAB O=C(Nc1ccccc1CO)c1cccs1 42207750 HWODLFQRJICZBQ-UHFFFAOYSA-N 233.292 2.493 0 40 BEAB CCCS(=O)(=O)N(CC)c1ccccc1 45929338 IARYNJFNEUHOCI-UHFFFAOYSA-N 227.329 2.253 0 40 BEAB O=C(O)c1cn(-c2ccc(Cl)cc2)cn1 50225902 LDALVFKCZXOZGI-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB Cc1noc(C)c1CN(C)Cc1cscn1 51705777 MQWINIQIKFOKFO-UHFFFAOYSA-N 237.328 2.380 0 40 BEAB CCc1nnc(CN2CCCC[C@H]2C)o1 54115091 WEQKNQGCYRLQKR-SECBINFHSA-N 209.293 2.006 0 40 BEAB CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 64554912 CRCBRPPPHSQCCW-UHFFFAOYSA-N 243.228 2.483 0 40 BEAB C[C@@H]1CC[C@@H](Nc2cccc(C(N)=O)c2)C1 70642839 ILTUXUDMLIPUIS-BXKDBHETSA-N 218.300 2.386 0 40 BEAB CC(C)CC(=O)N1CCC[C@@H](c2cnccn2)C1 72361268 OICTYNVAMMFOMU-GFCCVEGCSA-N 247.342 2.229 0 40 BEAB CSc1ccc(C2(O)CCN(C)CC2)cc1 79030458 PSSZLBLWDXKLMG-UHFFFAOYSA-N 237.368 2.322 0 40 BEAB Cn1ccc(C(=O)c2ccc(Cl)cc2)n1 83571865 KCNQYAOKCGZVCN-UHFFFAOYSA-N 220.659 2.305 0 40 BEAB COC(=O)[C@@H]1O[C@]12C[C@H](C)CC(C)(C)C2 84324276 XTLCHVQRGWXTST-PTRXPTGYSA-N 212.289 2.143 0 40 BEAB CNCc1cccc(C)c1Br 84479924 ONZTZOIOGYNIEP-UHFFFAOYSA-N 214.106 2.477 0 40 BEAB COc1cncc(N2C[C@@H]3CCCC[C@H]3C2)n1 86187610 KUTVBACYIQMQDW-QWRGUYRKSA-N 233.315 2.112 0 40 BEAB CC(C)(C)OC(=O)N1CCc2ccc(CN)cc21 89209467 WWKXEECKCJDNGY-UHFFFAOYSA-N 248.326 2.443 0 40 BEAB in-vitro O=C1N(C2CCCC2)C(O)=NC12CCCCC2 95473979 UEHJMUKHHURXAV-UHFFFAOYSA-N 236.315 2.388 0 40 BEAB OC[C@H]1C=C[C@@H](Nc2nc3ccccc3o2)C1 95963402 SIODHBONGQMELM-VHSXEESVSA-N 230.267 2.177 0 40 BEAB CCCn1cc(N[C@H](C)CCn2cccn2)cn1 95996932 HCVYYQJDGUVGGY-GFCCVEGCSA-N 247.346 2.380 0 40 BEAB CC(C)[C@H](NC(=O)CC1=CCCCC1)C(=O)O 96320085 AOBHCJZNBFKYOY-LBPRGKRZSA-N 239.315 2.102 0 40 BEAB Nc1nc(-c2cccc(F)c2)ccc1C(=O)O 96517626 YGDLDQDFDTVXSG-UHFFFAOYSA-N 232.214 2.168 0 40 BEAB C[C@@H](NCC1OCCO1)[C@H](C)c1ccccc1 97110051 DVXLKOJXWAFTKD-NWDGAFQWSA-N 235.327 2.141 0 40 BEAB C[C@@H]1CNc2nn(-c3ccccc3)c(O)c2C1 110751769 OLWLGPFBVCFXMT-VIFPVBQESA-N 229.283 2.182 0 40 BEAB CCOC(=O)c1ccc(-n2cccc2CO)cc1 143887758 ACPZIIOBMPNYJU-UHFFFAOYSA-N 245.278 2.146 0 40 BEAB C[C@@H]1CSC(SCCCC(=O)N(C)C)=N1 188136782 HOHKTRWTFKTVGJ-MRVPVSSYSA-N 246.401 2.079 0 40 BEAB CCCNC(=O)c1cc(N)ccc1NCCC 225452045 HHMXIGYUNIPJEL-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB CC(C)CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 245229981 JGQDLHJNVVLPJJ-DCAQKATOSA-N 226.389 2.295 0 40 BEAB CCn1c(=NN=O)sc2ccccc21 255004012 JNINLGOLQGICPU-UHFFFAOYSA-N 207.258 2.305 0 40 BEAB Cc1ccncc1NC(=O)C1CC(F)(F)C1 334711226 FTIKQQNAKYJFLC-UHFFFAOYSA-N 226.226 2.374 0 40 BEAB CC(C)(COC(=O)C(F)F)C(F)(F)F 1083808026 VVTMFSCPXFEYLN-UHFFFAOYSA-N 220.137 2.383 0 40 BEAB O=C(Nc1ccccc1C(=O)O)c1ccco1 127322 KGUJFARQLOGYHU-UHFFFAOYSA-N 231.207 2.230 0 40 BEAB in-vitro CCCc1cc(C(=O)Nc2cc(C)on2)no1 2498062 LPAMUQHYMCIQGI-UHFFFAOYSA-N 235.243 2.176 0 40 BEAB O=C(O)c1ccc(-c2ccccc2C(=O)O)o1 4294434 WMUYPMCIAJSRIN-UHFFFAOYSA-N 232.191 2.343 0 40 BEAB COc1ccc(N)cc1NC(=O)C1CCCC1 8703560 WPIBHBLFHMRKCS-UHFFFAOYSA-N 234.299 2.406 0 40 BEAB COC(=O)c1cccc(NC(=O)c2ccoc2)c1 9497489 RCTSBSPHEZUQQC-UHFFFAOYSA-N 245.234 2.319 0 40 BEAB CC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H]2C(=O)NC(=O)[C@H]12 12652583 QIHKOLSLJMRHDJ-WRWGMCAJSA-N 233.311 2.054 0 40 BEAB Cc1ccccc1CNCCCN(C)C 16362697 VKJMYNDNJWPZBX-UHFFFAOYSA-N 206.333 2.036 0 40 BEAB CCOc1ccc(N[C@H]2CCCCNC2=O)cc1 20040344 FIDRKMVDSREOHE-ZDUSSCGKSA-N 248.326 2.166 0 40 BEAB Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1 24585404 FVJAIRQLIHXKLL-UHFFFAOYSA-N 241.294 2.090 0 40 BEAB Cc1cccc(C(=O)N[C@H](C)c2ccncc2)n1 25217471 XPPRBFRSPZSLPZ-LLVKDONJSA-N 241.294 2.276 0 40 BEAB Cc1ccc(-c2cc(C(=O)N(C)C)on2)cc1 31223314 XTZAVQRAZITIKK-UHFFFAOYSA-N 230.267 2.352 0 40 BEAB CN(C)C(=O)CSc1ccc(F)cc1 32910963 LDFMRWNQRLOQKP-UHFFFAOYSA-N 213.277 2.006 0 40 BEAB CC(C)CC(=O)N1CCC[C@]2(CCCNC2)C1 33426506 HBZBZOHXYWOWFN-AWEZNQCLSA-N 238.375 2.025 0 40 BEAB O=C(O)C12CC(c3ccccc3[N+](=O)[O-])(C1)C2 34117528 ZCEPBRQLPRIRBP-UHFFFAOYSA-N 233.223 2.101 0 40 BEAB COC(=O)[C@H](CCCc1ccccc1)C(C)=O 34485454 QRCVGJJZFCVIEJ-CYBMUJFWSA-N 234.295 2.388 0 40 BEAB Fc1cc(F)cc(CO[C@@H]2CCCNC2)c1 35781813 KRCWEPWTPJCNQD-GFCCVEGCSA-N 227.254 2.233 0 40 BEAB C=CC(=O)N1CCC(Oc2ccccc2)CC1 37650770 XRBNNRPJTZHQAT-UHFFFAOYSA-N 231.295 2.242 0 40 BEAB Cc1cc(CSc2nncn2C(C)C)on1 40010046 CSWOJSOGUVYGLR-UHFFFAOYSA-N 238.316 2.448 0 40 BEAB Cc1ccccc1CCc1cc(N)[nH]n1 41210779 TYDUIXLKOWFZET-UHFFFAOYSA-N 201.273 2.086 0 40 BEAB in-vitro c1ccc(SC[C@@H]2CCCNC2)nc1 43471636 OKZVVMWLNVCZOC-SNVBAGLBSA-N 208.330 2.173 0 40 BEAB Fc1cc(F)cc(OC2CCNCC2)c1 54933142 LOUAZNRLAKBOOK-UHFFFAOYSA-N 213.227 2.096 0 40 BEAB Cc1cc(F)cc2c1ncc1c(O)n[nH]c12 64874768 LANUBHUYGXLDIB-UHFFFAOYSA-N 217.203 2.264 0 40 BEAB O=C(NCCc1ccc(F)cc1)C(F)(F)F 66322565 HGRAXJNODUZXRZ-UHFFFAOYSA-N 235.180 2.047 0 40 BEAB CSCCCNc1cccc(F)n1 69016265 YXBURYRAENAJFZ-UHFFFAOYSA-N 200.282 2.386 0 40 BEAB CC(C)(C)CNC(=O)NOCc1ccccc1 69654508 QDDMGDKYRHQNOQ-UHFFFAOYSA-N 236.315 2.464 0 40 BEAB c1cc(N2CCCC2)ncc1[C@H]1CCCCN1 72215935 ORWCCQFFUXXYOC-CYBMUJFWSA-N 231.343 2.496 0 40 BEAB CC(C)(C)[C@@H](NC(=O)c1cc[nH]n1)C(F)(F)F 73134966 UHTQQSTUPBZDOQ-MRVPVSSYSA-N 249.236 2.117 0 40 BEAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCNC1 79437646 DRJBVMBAQADEBT-LLVKDONJSA-N 242.363 2.384 0 40 BEAB O=C(c1ccco1)N1Cc2ccccc2C1 82277725 KRXAKMSISUCLMD-UHFFFAOYSA-N 213.236 2.436 0 40 BEAB Cc1ccc(=O)n(CCCc2ccccc2C)n1 84647041 XEWXKELBPSLCSV-UHFFFAOYSA-N 242.322 2.493 0 40 BEAB CC(C)(C)c1n[nH]c(N)c1-c1cccnc1 87617894 ZNKWVCIWUDFDPL-UHFFFAOYSA-N 216.288 2.351 0 40 BEAB CCOC(=O)c1ccc(Br)c(C)n1 90411250 INNGXOYMUZLIHV-UHFFFAOYSA-N 244.088 2.329 0 40 BEAB in-vitro CCN(C(=O)O)c1ccc(F)c(F)c1 90449939 PCBXHSGXUDAMAR-UHFFFAOYSA-N 201.172 2.469 0 40 BEAB Clc1nc2cncc(Br)c2[nH]1 95215348 BNJVAVZOMNSZLO-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@]2(CCOC2)C1 95937758 YDANAFGLZRTKPX-ZDUSSCGKSA-N 241.331 2.424 0 40 BEAB CCCc1nnnn1Cc1csc(C2CC2)n1 96485301 ILQPWVPAYOOEGU-UHFFFAOYSA-N 249.343 2.008 0 40 BEAB O=C(c1cccc(Cl)c1F)N1CCCO1 97083466 GSZKGLXHLDHQCD-UHFFFAOYSA-N 229.638 2.257 0 40 BEAB Nc1cc(Br)c(F)c(F)c1O 169800899 ZDPYTLIUCKFPBD-UHFFFAOYSA-N 224.004 2.015 0 40 BEAB CCC(=O)c1cnc(Cl)nc1Cl 199538695 DIOLXKLVVPMJGB-UHFFFAOYSA-N 205.044 2.376 0 40 BEAB COc1ccccc1C[C@@H](OC(C)C)C(=O)O 225098229 YCJYDNFREPNLPP-GFCCVEGCSA-N 238.283 2.116 0 40 BEAB COCC(=O)c1ccccc1OC(F)F 229182475 PFVDQQCQXYHTLZ-UHFFFAOYSA-N 216.183 2.117 0 40 BEAB CC[C@]1(C)C[C@@]1(NC(=O)OC(C)(C)C)C(=O)O 256054229 VMWKUNWKNWCOQY-VXGBXAGGSA-N 243.303 2.155 0 40 BEAB O=Cc1cc(Br)c(O)c(F)c1F 258068872 UHZJKFJIZMKEHU-UHFFFAOYSA-N 236.999 2.245 0 40 BEAB Cc1cccc(O[C@H]2CCC[C@H]2N(C)C)n1 585654692 KSPFPICFCODTRU-NEPJUHHUSA-N 220.316 2.252 0 40 BEAB CCOc1ccc2c(ccc(C)[n+]2C)c1 1711812 AQAJPMSIUDRFLJ-UHFFFAOYSA-N 202.277 2.371 0 40 BEAB NC(=O)C(c1cccs1)c1cccs1 1732093 NBYLGAJVUQXCCW-UHFFFAOYSA-N 223.322 2.427 0 40 BEAB COc1ccc2oc(C)c(C(=O)CN(C)C)c2c1 3173111 MNYSDVYNECWGMW-UHFFFAOYSA-N 247.294 2.494 0 40 BEAB Cc1ccc(S[C@H](C)C(N)=O)c(C)c1 3499425 CGILTBOHERTUNB-SECBINFHSA-N 209.314 2.269 0 40 BEAB Cc1nnsc1C(=O)NCC1CCCCC1 5239266 CPPCRKJNHYHEQT-UHFFFAOYSA-N 239.344 2.157 0 40 BEAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCO1 6330060 PWCCSBVGASZGNR-SNVBAGLBSA-N 227.210 2.082 0 40 BEAB CC(C)CNC(=O)CN1c2ccccc2C[C@@H]1C 7587783 FWMIGLHZWPEGOB-LBPRGKRZSA-N 246.354 2.210 0 40 BEAB CC(=O)c1ccc(C(=O)NCc2ccco2)s1 7752709 YCOCVZODOCYNAK-UHFFFAOYSA-N 249.291 2.474 0 40 BEAB O=C(CSc1nnc(C2CC2)o1)c1ccc[nH]1 8395789 JNXQFDKOSAQVPN-UHFFFAOYSA-N 249.295 2.250 0 40 BEAB CC(C)c1cc(C(=O)O)nn1-c1ccncc1 11567086 GHBZCKFXEVHQOO-UHFFFAOYSA-N 231.255 2.089 0 40 BEAB in-vitro COc1ccc(C(=O)NCc2cccs2)cn1 27627253 HOQFUHZPEGHJDI-UHFFFAOYSA-N 248.307 2.082 0 40 BEAB C[C@@H]1C[C@@H](C)CN(CC(=O)c2ccc[nH]2)C1 28659700 BPSLVWHOKAHHSA-GHMZBOCLSA-N 220.316 2.175 0 40 BEAB O=C(CCC1CCCCC1)N1CCC(O)CC1 32732168 QLTDZGFWDANSPB-UHFFFAOYSA-N 239.359 2.330 0 40 BEAB CN(C(=O)[C@@H]1CCCO1)C1CCCCCC1 32857956 ZUPKJPXWGGDFGP-LBPRGKRZSA-N 225.332 2.347 0 40 BEAB C[C@@H](Cn1cccn1)N[C@H](C)c1cccc(O)c1 37155672 YRANGHNXZONNPF-NWDGAFQWSA-N 245.326 2.328 0 40 BEAB Cc1n[nH]c(C)c1CNC[C@H]1CC=CCC1 44583464 OTODIEDATIXHED-LBPRGKRZSA-N 219.332 2.472 0 40 BEAB CCN(CC)C(=O)CCc1ccccc1O 44895404 PTHMTFUABRKRPO-UHFFFAOYSA-N 221.300 2.193 0 40 BEAB C[C@H]1CN(C(=O)CCc2ccccc2)[C@@H](C)CO1 45445957 HZLHZGMDFKMALW-STQMWFEESA-N 247.338 2.255 0 40 BEAB CC(C)Oc1ccc(CN2CC[C@@H](N)C2)cc1 50228045 WXCPAUMCLUCTOA-CYBMUJFWSA-N 234.343 2.007 0 40 BEAB O=C1OCC[C@@H]1N[C@@H](c1ccccc1)C1CCC1 69492649 IZMJJSKCWHQUQA-KBPBESRZSA-N 245.322 2.433 0 40 BEAB O=C1NCCc2c(Cl)cc(Cl)cc21 70587806 OIEJGYJUSCLONB-UHFFFAOYSA-N 216.067 2.279 0 40 BEAB in-vitro C[C@@]1(C(=O)O)CC(c2cccc(Cl)c2)=NO1 71981025 AXLNRVAJFGSQEB-NSHDSACASA-N 239.658 2.308 0 40 BEAB CNc1ncccc1[C@H]1CCCCN1C(C)=O 72212570 HMWSAJONKGMWPV-GFCCVEGCSA-N 233.315 2.197 0 40 BEAB Cc1ccc(CNC(=O)NC2CCCCC2)n1C 72268472 PAFFYZFYUVQDIK-UHFFFAOYSA-N 249.358 2.465 0 40 BEAB CC(=O)c1cc(-c2ccccc2)nn1C 75587617 YRSROYIOFLYAMT-UHFFFAOYSA-N 200.241 2.290 0 40 BEAB in-vitro CC[C@H]1CN(Cc2cccnc2)CCS1 76071886 FNMYTTKYEITSCI-LBPRGKRZSA-N 222.357 2.409 0 40 BEAB CN1CCC2(CC1)CNc1c(F)cccc12 84781202 XYVIQHXSHWALIX-UHFFFAOYSA-N 220.291 2.215 0 40 BEAB CCOC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2 85399296 AYCUWYYKYARANX-UHFFFAOYSA-N 249.310 2.067 0 40 BEAB Cc1cccc(NC[C@H](O)C(C)(C)C)n1 97096688 QEMIHYCQTMSICH-JTQLQIEISA-N 208.305 2.209 0 40 BEAB FC(F)Cn1ccc(N[C@H]2CCCSC2)n1 97371020 LWNSPZIPMJWNRK-QMMMGPOBSA-N 247.314 2.456 0 40 BEAB CCCC(=O)N[C@H]1[C@H]2[C@@H]3C[C@H]4[C@H]5C[C@H]([C@@H]42)[C@]1(C)[C@H]53 102944177 PBKXDKBOHVPXKQ-RRZDDCBLSA-N 245.366 2.439 0 40 BEAB CN(C)CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 103625311 WHXFRZFXDOAEFB-JTNHKYCSSA-N 239.359 2.306 0 40 BEAB CC1=N[C@](C)(c2ccc(N)cc2)N([O])C1(C)C 104508641 ZDOKQBROHVTMOZ-ZDUSSCGKSA-N 232.307 2.342 0 40 BEAB NC12C[C@@H]3C[C@@H](C1)CC(Br)(C3)C2 108424379 MVSBABWZAHWBSX-LGUIWLBCSA-N 230.149 2.431 0 40 BEAB Nc1c(Cl)cc(CC(=O)O)cc1Cl 141103163 MLXXAXZOEUWGIT-UHFFFAOYSA-N 220.055 2.203 0 40 BEAB COC(=O)c1cc2cc(F)c(F)cc2cn1 199823812 QMXFGQPYYRJBKN-UHFFFAOYSA-N 223.178 2.300 0 40 BEAB CCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 224826836 JXZQKFQFWFVTEU-NSHDSACASA-N 247.338 2.469 0 40 BEAB CC(C)COc1nn(C)c2cc(C=O)ccc12 225773621 XCCILYTVQDHTDR-UHFFFAOYSA-N 232.283 2.421 0 40 BEAB Cc1nc(C(=O)N(C)c2ccc(F)cc2)co1 225890718 BFIIKNYQVFAPQW-UHFFFAOYSA-N 234.230 2.399 0 40 BEAB Cc1cn(C)nc1NCc1ccnn1C(C)C 256055066 YZFHABHKELYFPM-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CC(C)(C)[C@H]1Nc2ccccc2C[C@H]1O 257198099 STBDCUBRSFVRPJ-NEPJUHHUSA-N 205.301 2.430 0 40 BEAB Cc1cc(-c2cc([C@@H]3CCCN3)ccn2)[nH]n1 257228456 FTXRIQFEULMSJH-NSHDSACASA-N 228.299 2.205 0 40 BEAB COC(=O)c1cc2c([nH]1)CCCC2(F)F 261256982 CMUPKIYQKBPRPH-UHFFFAOYSA-N 215.199 2.229 0 40 BEAB CC(C)c1ccc([C@H]2CNC[C@H]2CO)cc1 396889103 WPBFLTJXKXQYSU-UONOGXRCSA-N 219.328 2.105 0 40 BEAB CCC1=NN([C@H](C)c2ccncc2)C(=O)C1 634626971 RASUSNPKMCZWQP-SECBINFHSA-N 217.272 2.141 0 40 BEAB CCOC(=O)c1c2n(c3ccc(O)cc13)CCC2 847305 RULLULHXQRMGMI-UHFFFAOYSA-N 245.278 2.470 0 40 BEAB O=C(O)[C@H](Sc1ccncn1)c1ccccc1 3163595 SMPGUHPUSPHKGC-LLVKDONJSA-N 246.291 2.395 0 40 BEAB CCOC(=O)c1coc(CN(CC)CC)c1 3184353 JWBAUZHSKSDTKY-UHFFFAOYSA-N 225.288 2.298 0 40 BEAB CC(C)N(CC(N)=O)Cc1ccccc1Cl 8532602 FNOFUXKPQIRZJD-UHFFFAOYSA-N 240.734 2.036 0 40 BEAB O=C(NCCCO)Nc1cccc2ccccc12 11004326 BLZYRJSCTDPZFE-UHFFFAOYSA-N 244.294 2.344 0 40 BEAB CN(C)C(=O)N1CCCC[C@H]1c1cccnc1 11535908 NCJUHIQDGITYSQ-LBPRGKRZSA-N 233.315 2.290 0 40 BEAB biogenic Cc1ccc(S(=O)(=O)CC(C)C)cc1 12358895 ZZNRWQIJBHJNCS-UHFFFAOYSA-N 212.314 2.425 0 40 BEAB Cc1cc(NC(=O)c2ccc(F)cc2)on1 13596646 NRGWXSXPTTYTFA-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB Cc1nnc(S[C@H]2C(=O)[C@H]3CC[C@@H]2C3)s1 16363417 NHZCQMGMHKJAIC-LKEWCRSYSA-N 240.353 2.306 0 40 BEAB COc1ccc(-c2noc([C@@H](N)C(C)C)n2)cc1 19785564 RZHLEXZWVUWVDL-NSHDSACASA-N 247.298 2.401 0 40 BEAB Nc1nc(C(=O)O)c(-c2ccccc2)s1 20357790 VTYHQGNZJJXPBE-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB in-vitro C[C@@H](Cc1ccccc1F)N1CCC[C@@H](O)C1 23280383 TUISGIQGIFZXPD-WCQYABFASA-N 237.318 2.213 0 40 BEAB CC(=O)OC/C=C/c1ccc(OC(C)=O)cc1 26961398 JAFORXKRQBIDEE-ONEGZZNKSA-N 234.251 2.188 0 40 BEAB in-vitro CC(=O)Nc1ccc2c(C)c(C(=O)O)oc2c1 32501313 BJBVIWLMZXMEAH-UHFFFAOYSA-N 233.223 2.398 0 40 BEAB COc1ncccc1C(=O)Nc1ccccc1F 32755194 DRKMMCJNVHBWEM-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB CNC(=O)c1ccc(OCc2cccnc2)cc1 32796765 NFHRCRKYHFXOGS-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCOC(=O)c1ccc2c(c1)CCCC2=O 34103618 XNXPDMGFXHBLHK-UHFFFAOYSA-N 218.252 2.382 0 40 BEAB COc1ccc2[nH]c3c(c2c1)CCC3=O 34534881 GFNUUAVJKWUJDL-UHFFFAOYSA-N 201.225 2.305 0 40 BEAB biogenic C=CC(=O)NCc1nc2ccccc2s1 36334921 ZHRZQFIQEDGZRE-UHFFFAOYSA-N 218.281 2.099 0 40 BEAB COCCSCC(=O)Nc1ccccc1 45024674 SMKJCMJPGTTZJO-UHFFFAOYSA-N 225.313 2.005 0 40 BEAB Cc1cccc(CNC(=N)NCC(C)C)c1 52042273 ZQIQUGXYAYOKAR-UHFFFAOYSA-N 219.332 2.265 0 40 BEAB CNC(=O)CCc1ccc(C(F)(F)F)cc1 69697432 BEHLEDKLSUFNDW-UHFFFAOYSA-N 231.217 2.384 0 40 BEAB Cc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2CN)c1 70176206 CXDLKTMHAJWXGV-JSGCOSHPSA-N 246.354 2.194 0 40 BEAB COC[C@H](C)NC(=O)N(C)[C@@H](C)C(C)(C)C 71798661 VFIYYQPQQUKAOY-UWVGGRQHSA-N 230.352 2.097 0 40 BEAB Cc1cc([C@@H]2CCCN2C)cnc1S 72218245 XNYOUKMMXOSSOY-JTQLQIEISA-N 208.330 2.445 0 40 BEAB COCCN1CCC[C@H](Cc2nccs2)C1 72357061 HSDVWVSEQUZCAP-LLVKDONJSA-N 240.372 2.044 0 40 BEAB CCOCCC(=O)Nc1cccc(Cl)c1O 77011220 QIQIBKVAIPUSQQ-UHFFFAOYSA-N 243.690 2.411 0 40 BEAB C[C@H](c1cc(F)ccc1F)N(C)C(N)=O 77631301 MYCJYFFGRGTRMU-ZCFIWIBFSA-N 214.215 2.036 0 40 BEAB CNc1nc(Cl)ncc1C(F)(F)F 79066994 DBZWBBJKHCGBCI-UHFFFAOYSA-N 211.574 2.191 0 40 BEAB in-vitro O=Cc1nc(-c2cccc(Cl)c2)no1 82583229 SYOMVKAXNAJMOL-UHFFFAOYSA-N 208.604 2.203 0 40 BEAB CCO[C@H]1C[C@H](N(C)C(C)=O)C12CCCC2 84800820 YBYWZUVNRBPVRD-RYUDHWBXSA-N 225.332 2.203 0 40 BEAB CC(C)COc1csc(C(=O)O)c1 85656569 VVMPDSDJVLWSGB-UHFFFAOYSA-N 200.259 2.481 0 40 BEAB O=C(O)C(F)(F)c1cccc2cccnc12 88101869 AEUQSOMHEJHJIT-UHFFFAOYSA-N 223.178 2.411 0 40 BEAB Cc1nccc(-c2ccccc2)c1-c1nnn[nH]1 95193773 YRBGFFFLILXIBY-UHFFFAOYSA-N 237.266 2.237 0 40 BEAB CCc1n[nH]c([C@@H](N)c2ccc(Cl)cc2)n1 95534015 NWGIHQYBKRXELW-JTQLQIEISA-N 236.706 2.069 0 40 BEAB CCOC(=O)c1cnoc1-c1ccoc1 96034575 SITXDQDECAISCE-UHFFFAOYSA-N 207.185 2.111 0 40 BEAB in-vitro O=C(c1ccccn1)N1CCC2(CC1)CC2 96051080 STIQTLJTFQWXDQ-UHFFFAOYSA-N 216.284 2.098 0 40 BEAB CCOCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C 97055471 ASAYBBAIOLSNKU-IAQYHMDHSA-N 247.338 2.381 0 40 BEAB COc1cccc([C@@H]2C[C@@H]2[C@H](C)O)c1OC 108350669 FZMUAEIULPUYBQ-GDPRMGEGSA-N 222.284 2.188 0 40 BEAB CCOc1cc(N)cc(Br)c1O 216738428 CFNUKFXMQXFMIU-UHFFFAOYSA-N 232.077 2.136 0 40 BEAB Cc1ccnc(Cl)c1C(=O)NC(C)C 217731584 ZNQAKGZISCZABS-UHFFFAOYSA-N 212.680 2.182 0 40 BEAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)C 225500288 ZAZCMXYJHXKLSZ-LLVKDONJSA-N 247.338 2.421 0 40 BEAB O=[S@](c1cnccc1Cl)C(F)(F)F 242522371 IPPDGXXGBLFXEI-CYBMUJFWSA-N 229.610 2.362 0 40 BEAB O=C(c1ccnc(OCC2CC2)c1)N1CCCC1 244969067 GWXMRHIWJPVFMY-UHFFFAOYSA-N 246.310 2.106 0 40 BEAB CCn1cnnc1CN[C@@H]1CCC[C@@H](C)[C@H]1C 253370389 QDSVUTKYFJQKOM-IJLUTSLNSA-N 236.363 2.212 0 40 BEAB Cc1c(C(=O)O)c(Br)nn1C(C)C 408717840 XILBMBUVNMIQRR-UHFFFAOYSA-N 247.092 2.233 0 40 BEAB O=C1NC(=S)/C(=C/Nc2nccs2)S1 618255260 UINWIJPSGNVRSG-ARJAWSKDSA-N 243.338 2.180 0 40 BEAB COC(=O)C1(c2ccc(C)cc2C)CC(=O)C1 685937191 MCKFFLLAPWQJHH-UHFFFAOYSA-N 232.279 2.077 0 40 BEAB CCOc1ccc2c(c1)sc(=N)n2C 369938 ARNQIVIKMIRRBV-UHFFFAOYSA-N 208.286 2.118 0 40 BEAB Cc1cccc(NC(=O)CNCc2ccco2)c1 411467 GIZGIWPRBGSTLT-UHFFFAOYSA-N 244.294 2.316 0 40 BEAB O=C1c2cc(Cl)ccc2N[C@@H](O)c2cccn21 1581138 PESWRATVXFAYBG-NSHDSACASA-N 248.669 2.246 0 40 BEAB O=C1CC[C@H]2c3ccccc3C(=O)[C@@H]2C1 1644707 YPLQPADQPYWZNG-CMPLNLGQSA-N 200.237 2.336 0 40 BEAB O=C(O)[C@H]1CCCCN1Cc1ccc(F)cc1 3754813 WRCCKEVVICUODU-GFCCVEGCSA-N 237.274 2.265 0 40 BEAB in-vitro Cc1ccc(Cn2ccsc2=N)cc1 3887051 YCPVAEMHSPQPNP-UHFFFAOYSA-N 204.298 2.386 0 40 BEAB Cc1cccc2nc(C(F)(F)F)c(C(=O)O)n12 4025230 WKDOLBPKZNKPGQ-UHFFFAOYSA-N 244.172 2.360 0 40 BEAB CC(C)CC[C@H]1SC(=O)N(C)C1=O 4089235 DWTGZSAXBHCXIQ-SSDOTTSWSA-N 201.291 2.116 0 40 BEAB Cc1cc(C(=O)N2CCc3ccccc3C2)on1 6738076 YQVZRRXNHRHEIJ-UHFFFAOYSA-N 242.278 2.182 0 40 BEAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)[nH]n1 6942726 BEAMYJKXDIZLQQ-UHFFFAOYSA-N 233.246 2.418 0 40 BEAB O=C(Cc1noc2ccccc12)NC1CCCC1 8076384 CJTSXVMAOHEPSQ-UHFFFAOYSA-N 244.294 2.429 0 40 BEAB CNC(=O)COc1c(C)cc(Cl)cc1C 9315196 CKKYIOBVLNNFJB-UHFFFAOYSA-N 227.691 2.082 0 40 BEAB Fc1ccc(-c2n[nH]c([C@@H]3CCCN3)n2)cc1 12114027 WDPPEBUDKVVXTC-JTQLQIEISA-N 232.262 2.035 0 40 BEAB CCOC(=O)c1cc2cc(C)c(N)cc2[nH]1 12359069 YCHURLGIBRLTTL-UHFFFAOYSA-N 218.256 2.235 0 40 BEAB CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 14559639 BJJXANODFXASSQ-UHFFFAOYSA-N 246.310 2.271 0 40 BEAB COc1cc2c(cc1OC)[C@H](N)CCCC2 19727446 ZRFAAVVYTSTEQL-LLVKDONJSA-N 221.300 2.430 0 40 BEAB C1CC[C@@H](CCC[C@H]2CCCCN2)NC1 21301323 PBAFFSHKOMYWPA-BETUJISGSA-N 210.365 2.441 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CN(C)C 21938368 IIEYIRRJWJSYKQ-RISCZKNCSA-N 246.354 2.020 0 40 BEAB CSc1ccccc1C(=O)Nc1ccn(C)n1 32900116 UJTDQXOWWWXMKM-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB Cc1cc(O[C@@H]2CCNC2)ccc1Cl 36142115 TWOMUHKBTKCBIY-SNVBAGLBSA-N 211.692 2.389 0 40 BEAB in-vitro CNC1CCN(Cc2ccccc2C)CC1 37469347 KTZBYAOFMQNKOH-UHFFFAOYSA-N 218.344 2.179 0 40 BEAB CC(C)CNC(=O)c1nnc(-c2ccccc2)o1 41124406 PTWDXRRZYJVAPQ-UHFFFAOYSA-N 245.282 2.122 0 40 BEAB Cc1cccc(COC[C@@H]2CCNC2)c1 42771935 YCENSGNZUZPDBE-CYBMUJFWSA-N 205.301 2.121 0 40 BEAB C[C@H](SCc1cccc(Cl)c1)C(N)=O 45089799 JZBUBJUTXSFLDR-ZETCQYMHSA-N 229.732 2.447 0 40 BEAB CC(C)(CCC(=O)O)NC(=O)c1ccccc1 50194873 ZURZHRZIYKWHSE-UHFFFAOYSA-N 235.283 2.060 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cccn1C 69056646 CVUCTYYGFAFUEY-NSHDSACASA-N 220.316 2.430 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)[C@H]1CCCNC1 72208314 RVDWLXJKVABGBV-STQMWFEESA-N 233.311 2.245 0 40 BEAB C[C@@H](Oc1ccc2ccoc2c1)C(=O)O 72219764 LLEFRDLKWCRPFR-SSDOTTSWSA-N 206.197 2.285 0 40 BEAB N[C@H]1CCCC[C@H]1NCc1ccccc1F 72411137 BSEBPYRQKRQSIO-QWHCGFSZSA-N 222.307 2.185 0 40 BEAB COc1ccc2c(C)c(C=O)n(C)c2c1 82592551 WUZLPXCKWSVFKL-UHFFFAOYSA-N 203.241 2.308 0 40 BEAB NC(=O)Nc1c(Cl)cccc1Cl 83847726 OODROUUHJQWALW-UHFFFAOYSA-N 205.044 2.484 0 40 BEAB COc1ccc(C2([C@@H](C)O)CC2)cc1F 84390285 KOKMBPRXOCBWOT-MRVPVSSYSA-N 210.248 2.247 0 40 BEAB COC(=O)/N=c1/[nH]c2ccc3ccccc3c2[nH]1 85389750 WSWJRSIHIGJECC-UHFFFAOYSA-N 241.250 2.316 0 40 BEAB Cn1cc(-c2ccc(Br)cn2)cn1 85390733 GDRXIAXEJUHCGJ-UHFFFAOYSA-N 238.088 2.245 0 40 BEAB C[C@@H]1CCCC[C@]1(CN)NC(=O)OC(C)(C)C 96102472 QNJPTRDSPLWFQA-ZWNOBZJWSA-N 242.363 2.419 0 40 BEAB Cc1cc(C)c(C=O)c(OCn2cccn2)c1 96526230 AHJGFEFTFUYXJY-UHFFFAOYSA-N 230.267 2.349 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]21CCC(=O)O1 100367063 NAQMCLGSTRGHTN-ZEGGKSINSA-N 222.284 2.087 0 40 BEAB O=C(O)c1cnc2cc(F)c(Cl)cc2c1O 101030579 MYTYABSGTMVVEV-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB N=C(N)S[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12 103952744 SJARSYVTIJIHGH-MQIGXGKASA-N 208.330 2.214 0 40 BEAB O=C1CCN[C@@H](c2cccc(Cl)c2Cl)N1 209612199 ZFLNPFOSMFWPDT-SNVBAGLBSA-N 245.109 2.102 0 40 BEAB O[C@]1(c2ccc(F)cc2)CCC[C@@H]2CNC[C@H]21 229943722 KADNKMBDWLQVRJ-HONMWMINSA-N 235.302 2.033 0 40 BEAB CC(C)C(=O)c1ncncc1Br 242548641 LQQWMLXZHJISTQ-UHFFFAOYSA-N 229.077 2.078 0 40 BEAB Clc1cnc(N2C[C@H]3CCC[C@@H]3C2)nc1 336474701 PKKNDDKUXLHLLU-RKDXNWHRSA-N 223.707 2.366 0 40 BEAB Cc1ncn(-c2ccc(Cl)cc2F)n1 2362803449 AQWAATLFNHJXJI-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB Fc1cccc(F)c1C[n+]1ccccc1 159281 VKFLGDXQVACOEQ-UHFFFAOYSA-N 206.215 2.301 0 40 BEAB CCc1nnc(NC(=O)[C@@H](C)CC)s1 364504 WVDHUZKDNGADJF-LURJTMIESA-N 213.306 2.085 0 40 BEAB COc1ccc([C@@H]2CCC(=O)C[C@H]2C(=O)O)cc1 1644695 HTPVKBOETCNMAK-QWHCGFSZSA-N 248.278 2.233 0 40 BEAB CC(C)(C)c1ccc(S(=O)(=O)O)s1 1690834 VQIKSHUGHZMRPE-UHFFFAOYSA-N 220.315 2.292 0 40 BEAB COC(=O)N[C@H](c1ccccc1)[C@@H](C)F 1712330 BYYHKRXRSLYAHA-SCZZXKLOSA-N 211.236 2.442 0 40 BEAB CC(C)(C)OC(=O)N(CCO)c1ccccc1 2518256 GYRDREFSISCMKG-UHFFFAOYSA-N 237.299 2.420 0 40 BEAB CC(C)NC(=S)NC1CCCCC1 3165520 YKOLIVVGRSRPDT-UHFFFAOYSA-N 200.351 2.192 0 40 BEAB CC(=O)c1nn(-c2cccc(C)c2C)c(=N)s1 3848844 RHLJLDZILVUPCJ-UHFFFAOYSA-N 247.323 2.233 0 40 BEAB C[C@@H]1CN(C(=O)n2ccnc2)c2ccccc2O1 6751616 JTILRCTUZDOOFC-SNVBAGLBSA-N 243.266 2.139 0 40 BEAB CCOc1cc(CO)c(Br)cc1O 8727902 DHAUOLUXDVLLCB-UHFFFAOYSA-N 247.088 2.046 0 40 BEAB CCc1nc2cc(C(=O)O)ccc2n1CC 9238097 QSQVOKSIDSIGES-UHFFFAOYSA-N 218.256 2.317 0 40 BEAB Cc1ccccc1-n1[nH]c(C(F)(F)F)cc1=O 17832029 AVROCWMKJYEEOT-UHFFFAOYSA-N 242.200 2.493 0 40 BEAB Cc1cc(C)cc(NC(=O)C2CCNCC2)c1 19408640 YOPYPBJKGYVWAZ-UHFFFAOYSA-N 232.327 2.242 0 40 BEAB NC(=S)Nc1cccc2c(O)cccc12 20154606 GQFOHFNUACXEHY-UHFFFAOYSA-N 218.281 2.201 0 40 BEAB NCc1ccc(OC2CCCCC2)nc1 20357692 KBEXCOQBYDIUNO-UHFFFAOYSA-N 206.289 2.252 0 40 BEAB COc1cccc([C@H]2C[C@H]2[C@@H](C)N)c1OC 20594441 NRMIRCUHNDPXEF-DVVUODLYSA-N 221.300 2.155 0 40 BEAB NCCc1ccc(OCc2cccnc2)cc1 21957628 UYRJROSDJDUMHC-UHFFFAOYSA-N 228.295 2.162 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1cccc(N)c1 21967157 VLTMKYGJGNKTBG-SNVBAGLBSA-N 218.300 2.283 0 40 BEAB COC(=O)[C@@]1(Cc2ccccc2)CCCC1=O 22010228 HWLKXULKCYKDGF-CQSZACIVSA-N 232.279 2.142 0 40 BEAB Nc1cccnc1-c1csc(C(=O)O)c1 26459419 ACULLYRSNRRREY-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB CC(=O)C(Cc1ccc(Cl)nc1)C(C)=O 26544914 FAPLXZJPVYPVCR-UHFFFAOYSA-N 225.675 2.072 0 40 BEAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCO2 31343623 GRKQWTRDLYRPKY-GZMMTYOYSA-N 217.268 2.216 0 40 BEAB OCCSc1nc(CCC2CCCC2)n[nH]1 31797354 IVBBAEYCHKFUNL-UHFFFAOYSA-N 241.360 2.012 0 40 BEAB Cc1n[nH]c2c(F)c(F)c(F)c(F)c12 34415295 MEHLPQAUVAMMPE-UHFFFAOYSA-N 204.126 2.428 0 40 BEAB in-vivo Cc1cccc([C@H]2CCCN2S(C)(=O)=O)c1 35476426 MSPUTABRSHFLEZ-GFCCVEGCSA-N 239.340 2.092 0 40 BEAB COc1ccc(-c2ccc(C(=O)O)cn2)cc1 35630089 HTFUPRQBIIZYTE-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB CCc1cc(=O)[nH]c(-c2cccc(F)c2)n1 36755131 KMDGLXPKPHMVOE-UHFFFAOYSA-N 218.231 2.138 0 40 BEAB O=C(O)[C@H](c1ccc(F)cc1F)N1CCCC1 37360288 XDGWWYWJZYCHRR-NSHDSACASA-N 241.237 2.186 0 40 BEAB CNCc1ccccc1OCC(F)F 37755464 BJVXOTKZXPXADE-UHFFFAOYSA-N 201.216 2.050 0 40 BEAB CC[C@@H](C)NC(=O)c1nnc(-c2ccccc2)o1 41124402 VYGJFRNYKJIDON-SECBINFHSA-N 245.282 2.265 0 40 BEAB C[C@H]1CCC[C@@H](NC(=O)Nc2nncs2)C1 43127806 BMKWCXUXPXKODD-JGVFFNPUSA-N 240.332 2.238 0 40 BEAB COc1ccc([C@H](O)[C@H](C)n2cccn2)cc1 44182799 GDISAVSZXXPIDU-GXFFZTMASA-N 232.283 2.186 0 40 BEAB in-vitro COCCc1ccc(O)c(C(=O)C(C)C)c1 52068517 RSLBNCUUSPAMHD-UHFFFAOYSA-N 222.284 2.420 0 40 BEAB Nc1cccc(CNC(=O)C2CCCCC2)c1 52925692 JDFUKGRRXIKBSE-UHFFFAOYSA-N 232.327 2.465 0 40 BEAB CC[C@H](C)c1ccc(S(=O)(=O)O)cc1 56897579 OVXNLJHNNUAEMR-QMMMGPOBSA-N 214.286 2.447 0 40 BEAB in-vitro C[C@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 58230701 QVDCHSZTIPFJNY-JQWIXIFHSA-N 225.332 2.108 0 40 BEAB CCCCCCN1CCC[C@@H](OCCO)C1 71920941 SGJDDXGNKBPFGL-CYBMUJFWSA-N 229.364 2.040 0 40 BEAB c1cc(CN2CCC[C@@H](c3ccn[nH]3)C2)ccn1 72187762 KGQVCDKEBFLIOC-CYBMUJFWSA-N 242.326 2.184 0 40 BEAB COc1ccc(C2=NCCCC2)c(C)n1 72218087 WBBGKBRQYXNMTK-UHFFFAOYSA-N 204.273 2.372 0 40 BEAB CNc1ncc([C@@H]2CCCN2C(C)=O)cc1C 72218973 QYVRMQZAEPTZSN-LBPRGKRZSA-N 233.315 2.115 0 40 BEAB Cc1nc(Cl)cc(C2CCN(C)CC2)n1 72343834 NPPHUMHZTRYDCT-UHFFFAOYSA-N 225.723 2.248 0 40 BEAB Nc1nc2c(Cl)ccc(Cl)c2[nH]1 73638091 VISIHKHLHHXUEE-UHFFFAOYSA-N 202.044 2.452 0 40 BEAB COC(=O)c1ccc(-c2cc(N)ccc2OC)o1 73640395 OEWINUWGRZMTHN-UHFFFAOYSA-N 247.250 2.324 0 40 BEAB Cc1cc(Br)cc2c(N)n[nH]c12 75883920 RTCUZXNDSBKYDD-UHFFFAOYSA-N 226.077 2.216 0 40 BEAB in-vitro CCNC(=O)NC[C@H](C)Sc1ccccc1 80621565 YXXNELIBSAUIHZ-JTQLQIEISA-N 238.356 2.486 0 40 BEAB Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)c(N(C)C)c1 84793847 LHEBBWJRBSZEOZ-YPMHNXCESA-N 246.354 2.333 0 40 BEAB COC(=O)C1(Oc2ccccc2C)CC1 85393113 IFIMENJENJVNCS-UHFFFAOYSA-N 206.241 2.079 0 40 BEAB CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 85520009 AUBPIXRPSSUKAZ-VXGBXAGGSA-N 205.301 2.452 0 40 BEAB in-vitro CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CN 89157305 NYPPQRSVUJQKTO-VHSXEESVSA-N 228.336 2.029 0 40 BEAB in-vitro Oc1ccc2[nH]ncc2c1Br 89196364 NKQAGTMAIUMWOY-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB COc1cccc(C(=O)N2CCCC2)c1F 90065681 WLEGHLIBUNVWHS-UHFFFAOYSA-N 223.247 2.070 0 40 BEAB O=C(O)c1cccc(SC(F)(F)F)n1 91252884 FOCRSRIRCYORAA-UHFFFAOYSA-N 223.175 2.392 0 40 BEAB O=C(O)C1(c2cccnc2C(F)(F)F)CC1 95094304 NRVFGMNTPBMEQU-UHFFFAOYSA-N 231.173 2.217 0 40 BEAB CCc1nc2n(n1)CCC[C@@H]2NC1CCCC1 95423700 JEQOPTBNPYRFHZ-NSHDSACASA-N 234.347 2.208 0 40 BEAB C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccon1 95429843 LXCVPFDGDPAYCO-SECBINFHSA-N 246.266 2.213 0 40 BEAB CCCc1nccn1Cc1cc(OC)ccn1 95441049 FJJNPDINZAYGNI-UHFFFAOYSA-N 231.299 2.288 0 40 BEAB CSC[C@H](C)CNc1ncnc2ncccc12 95973317 BIIQRIHCKCUNGB-SECBINFHSA-N 248.355 2.436 0 40 BEAB CCNc1cncc(Br)c1 96515750 AMUGYEPVQNQKHD-UHFFFAOYSA-N 201.067 2.276 0 40 BEAB Cc1cc(C(=O)NCc2ccccc2)ns1 96782562 JUSBDACDLUCNSM-UHFFFAOYSA-N 232.308 2.382 0 40 BEAB CC(=O)N1CCC(CNc2cccc(C)n2)CC1 97096502 VTCALIBRHUSBIL-UHFFFAOYSA-N 247.342 2.060 0 40 BEAB COCCCOc1ccc(-n2cccn2)cc1 97114869 BVZFIQHEYMTFCT-UHFFFAOYSA-N 232.283 2.288 0 40 BEAB ClC1=NC(Cl)=C2CSCC[C@@H]2N1 97757515 SBPWQYVMNGUBKY-YFKPBYRVSA-N 223.128 2.140 0 40 BEAB COc1cc(NC(=O)[C@H]2C[C@H]2C)ccc1F 189446664 SUQRMRFVNRPRNM-APPZFPTMSA-N 223.247 2.429 0 40 BEAB CC[C@]1(c2cncc(Br)c2)CO1 217527781 KIRYGPXXXZRYHK-SECBINFHSA-N 228.089 2.480 0 40 BEAB Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]1N 218881807 HLUPJSZLMCWPKH-CMPLNLGQSA-N 208.280 2.426 0 40 BEAB CC(C)COc1nn(C)c2cc(C(=O)O)ccc12 225772137 ZPQZUDRFZJOOCN-UHFFFAOYSA-N 248.282 2.306 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2OC[C@@H](C)[C@H]21 242722775 XUJUJWPNVYKNBP-ZNSHCXBVSA-N 212.289 2.001 0 40 BEAB CC(C)Cn1cc(C=O)c(Br)n1 408717874 YTNDAPVMRJSFBL-UHFFFAOYSA-N 231.093 2.114 0 40 BEAB c1ccc2c(c1)CN(c1nncs1)C2 575607352 NKHMBGPLUSNDQJ-UHFFFAOYSA-N 203.270 2.058 0 40 BEAB O=C(O)c1c(Br)ccc2c[nH]nc12 1083813800 KXIKAPYWHUZZRA-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB O=C(O)C=CCCCCCCC(=O)O 1857793065 XUNMWLWTZWWEIE-UHFFFAOYSA-N 200.234 2.052 0 40 BEAB O=c1oc2cc(Cl)c(O)cc2s1 261771 FEBBRBNJALULIG-UHFFFAOYSA-N 202.618 2.214 0 40 BEAB COc1ccc([C@@H](CN)c2ccc(N)cc2)cc1 1597908 MKBLPQLPMPUOKE-HNNXBMFYSA-N 242.322 2.368 0 40 BEAB C/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1 1649947 DCVIMWRFFDRWJM-GSQGTZRGSA-N 231.251 2.283 0 40 BEAB Cc1cc(C)c(C(=O)c2ccccc2)c(=O)o1 1705132 ZWCBMIPCXMKUGZ-UHFFFAOYSA-N 228.247 2.488 0 40 BEAB O=Cc1ccc(-c2cccc(C(=O)O)n2)cc1 2541798 FKHVFVCIDNIPPD-UHFFFAOYSA-N 227.219 2.259 0 40 BEAB CN(C)c1ccc(C(=O)NC(C)(C)C)cc1 3414120 YIKLAYFTZTTXQP-UHFFFAOYSA-N 220.316 2.281 0 40 BEAB CCOC(=O)c1ncccc1-n1cccc1 3844223 XMEXXKVNIWWFTM-UHFFFAOYSA-N 216.240 2.049 0 40 BEAB biogenic C[C@@H]1CC(O)(c2ccccc2)C[C@@H](C)N1C 4728786 SFCKGVRRVILRML-VXGBXAGGSA-N 219.328 2.377 0 40 BEAB COc1cc(C)c(-n2cnnn2)cc1C(C)C 4753545 MTGPGGVIPPZHSR-UHFFFAOYSA-N 232.287 2.103 0 40 BEAB CCC[C@H](Oc1ccc2c(c1)OCO2)C(=O)O 8730644 XISZKWMXTAQYSN-JTQLQIEISA-N 238.239 2.047 0 40 BEAB COc1cc(CNC(=O)CC2CCCC2)ccn1 12741467 UHOSUIKTMGHBRI-UHFFFAOYSA-N 248.326 2.287 0 40 BEAB CCCC/C=C/[C@H](C(=O)OC)[C@H](C)C(=O)O 14438773 PYXTXZWCWQONTK-GOPXOUGQSA-N 228.288 2.243 0 40 BEAB O=C(Nc1nc2c(s1)CCC2)c1ccccn1 15636377 CRHARWHALUXYJZ-UHFFFAOYSA-N 245.307 2.279 0 40 BEAB Cc1n[nH]c(SCC(=O)c2ccccc2)n1 18219329 HPZJBUNBFWPSEH-UHFFFAOYSA-N 233.296 2.088 0 40 BEAB Cc1ccc(-c2nc3nc(C)cc(O)n3n2)cc1 18219894 CQCHNZMNEYXXAL-UHFFFAOYSA-N 240.266 2.114 0 40 BEAB OCc1ccc(OCC(F)(F)F)cc1 20031160 UPUNZBFRXMPBEE-UHFFFAOYSA-N 206.163 2.120 0 40 BEAB in-vitro NC[C@H](O)c1ccc(-c2ccccc2)cc1 20216708 ATTHACCWLCOMAC-AWEZNQCLSA-N 213.280 2.346 0 40 BEAB COc1cccc(CNc2cnn(C)c2C)c1 20350387 JDTWCSHVOUTMNC-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB CC(C)=CC(=O)Nc1nc2ccccc2[nH]1 22832964 FALIPSFFWSTHRE-UHFFFAOYSA-N 215.256 2.468 0 40 BEAB c1ccc2c(c1)CCCN2[C@@H]1CCCNC1 37246765 HMWULAZTFKYULC-CYBMUJFWSA-N 216.328 2.191 0 40 BEAB Cc1cc(C)c2nccc(N3CCNCC3)c2c1 40175314 GFNGEMDGXTWRGF-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB CN(Cc1ccco1)C(=O)c1ccoc1 40474262 BZCYNZLWMHPMRW-UHFFFAOYSA-N 205.213 2.145 0 40 BEAB C[C@H]1COC[C@H](C)N1C(=O)CCc1ccccc1 40634620 JSZLFDZPTSCBCB-STQMWFEESA-N 247.338 2.255 0 40 BEAB O=c1[nH]c2ccccc2n1-c1ccccc1F 41249608 HIICLLACJBFIQA-UHFFFAOYSA-N 228.226 2.458 0 40 BEAB Cc1cc(=O)c2cnn(Cc3cccs3)c2[nH]1 44868095 SCPKZFCOFCXSDD-UHFFFAOYSA-N 245.307 2.143 0 40 BEAB CCN(C(=O)Nc1cccnc1OC)C1CC1 48276650 MIMWYRNQPLLNSV-UHFFFAOYSA-N 235.287 2.106 0 40 BEAB COC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 50974452 CKDHJOAQICCZPR-QMMMGPOBSA-N 235.066 2.200 0 40 BEAB CC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 53641633 QGNMSFNLHNDRCY-LDYMZIIASA-N 207.273 2.381 0 40 BEAB CC(C)(C(=O)NC[C@H]1CCCO1)c1ccccc1 58289716 NSBXDOVCZFNWLM-CYBMUJFWSA-N 247.338 2.259 0 40 BEAB Cc1ccc(S[C@H]2CCOC2=O)cc1 59133978 ATQVBQSZTNAVKI-JTQLQIEISA-N 208.282 2.403 0 40 BEAB CNCc1cc(F)c(Br)cc1F 70022718 HMHJCVXGMXIKSF-UHFFFAOYSA-N 236.059 2.447 0 40 BEAB COCC(=O)N[C@@H](C)c1ccc(C)cc1C 70250895 FNRHMQSNPHGLRU-NSHDSACASA-N 221.300 2.127 0 40 BEAB CCCCN(C)S(=O)(=O)Nc1ccccc1 71915086 FYIHJTGFTLQYAL-UHFFFAOYSA-N 242.344 2.075 0 40 BEAB COC(=O)c1cc(O)c(F)cc1Br 72137448 HJSONSUAHMBJMA-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB Cc1cc(Cl)nc([C@@H]2CCCN(C)C2)n1 72343832 GERJVYMNXZRQFV-SECBINFHSA-N 225.723 2.248 0 40 BEAB COC(=O)c1ccc(COc2ccccn2)cc1 72810846 QLHQHOQKSHTWLQ-UHFFFAOYSA-N 243.262 2.447 0 40 BEAB O=C(O)c1cc(Cl)cc(C(F)(F)F)n1 74003925 KKBFQHJARPBFIT-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB Cc1ccc(OCc2ccccn2)nc1 79021305 RKQIYEDJRRNBRS-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB CN(Cc1ccc2nc(N)sc2c1)C1CC1 83740089 HKIUOXXBMPVLOG-UHFFFAOYSA-N 233.340 2.473 0 40 BEAB COC(CSc1ccc(Cl)cn1)OC 85351754 VLCZIBJIKKOCJV-UHFFFAOYSA-N 233.720 2.446 0 40 BEAB C[C@@H]1CN(CCc2cccc(N)c2)C[C@@H]1C 86015184 HFTCNYIARDEQIU-TXEJJXNPSA-N 218.344 2.399 0 40 BEAB COC(=O)c1[nH]c2cccc(C)c2c1C=O 89203474 IQPICKZXNDLNFO-UHFFFAOYSA-N 217.224 2.075 0 40 BEAB C[C@@H]1OCC[C@@H]1NCCSC(C)(C)C 89516556 PQDXUVZCUPHFNO-UWVGGRQHSA-N 217.378 2.285 0 40 BEAB CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 95404069 PNPLLXYCHPWYRE-GXTWGEPZSA-N 215.296 2.027 0 40 BEAB COC(=O)C[C@H](CC(C)C)c1c(O)n[nH]c1C 95475647 FOBHZEUNYANFCD-VIFPVBQESA-N 240.303 2.117 0 40 BEAB CCCOc1c(F)cc(F)cc1C(=O)O 95732453 JHCSGAWTEFPFMH-UHFFFAOYSA-N 216.183 2.452 0 40 BEAB COCc1ccc(C(=O)CCCC(=O)O)cc1 95740230 RPKCMWHNTIRFPU-UHFFFAOYSA-N 236.267 2.271 0 40 BEAB CN1c2ccccc2[C@@H]2C(=O)CCC[C@H]21 95933417 MOVJGLJCNVYGBE-YPMHNXCESA-N 201.269 2.342 0 40 BEAB CCNC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1 217526799 BHTAVLZTAFSIHV-ZIAGYGMSSA-N 246.354 2.048 0 40 BEAB O=C1CCCc2cnc(Br)cc21 237993706 CNVIHPAPUJEMFB-UHFFFAOYSA-N 226.073 2.363 0 40 BEAB C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCC(=O)N(C)C1 248840411 PFZHNBLYLGWXGI-GRYCIOLGSA-N 238.375 2.022 0 40 BEAB COC(=O)c1ccc(C(F)F)cc1OC 260016268 JSOQKWLPQZZWOO-UHFFFAOYSA-N 216.183 2.419 0 40 BEAB C[C@H](C(=O)O)n1ncc(Cl)c1C(F)F 408717051 VHAXDQIKDWCHQX-GSVOUGTGSA-N 224.594 2.120 0 40 BEAB Cc1cc(NC(=O)[C@H]2CCC2(C)C)ncn1 622812887 GTSQJYQNZZVZKN-SECBINFHSA-N 219.288 2.160 0 40 BEAB Cc1ccc(CNCc2ccccn2)o1 802051 QJURXNFXHPGCFF-UHFFFAOYSA-N 202.257 2.273 0 40 BEAB Nc1nc2ccccc2n1C(=O)c1cccs1 807070 LDNVNSAHRKHXLW-UHFFFAOYSA-N 243.291 2.369 0 40 BEAB N[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1 1235072 WYWOTSWUJAQKCG-CYBMUJFWSA-N 249.310 2.483 0 40 BEAB CCCNCC(=O)Nc1cccc(Cl)c1 1672726 HEWZDCKITPVSQM-UHFFFAOYSA-N 226.707 2.278 0 40 BEAB COc1ccc2c(c1)c(CC(=O)O)c(C)n2C 1685319 GGINWXRVABAISJ-UHFFFAOYSA-N 233.267 2.122 0 40 BEAB CC1CCN(C[C@@H](O)COc2ccccc2)CC1 2624410 NQPBQUNHSUCGLK-CQSZACIVSA-N 249.354 2.158 0 40 BEAB O=c1[nH]c(-c2ccccc2)nc2c1CCCS2 8637497 BTDIZFPYYWBRPL-UHFFFAOYSA-N 244.319 2.475 0 40 BEAB COc1cc(=O)[nH]c(-c2ccccc2)c1OC 8652755 CSLBHRYRRHMRJU-UHFFFAOYSA-N 231.251 2.059 0 40 BEAB NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 12505281 WMBRGYRLCPRDHR-UHFFFAOYSA-N 241.294 2.336 0 40 BEAB CCOc1cccc(O[C@H]2CCCNC2)c1 14631832 PKJKVQXZRWUYRM-ZDUSSCGKSA-N 221.300 2.216 0 40 BEAB in-vitro Cc1ccc(C(=O)CN2CCCCC2)o1 15083494 VCWZXBXILSFBLR-UHFFFAOYSA-N 207.273 2.257 0 40 BEAB CC(=O)Sc1nc2ccccc2n1C(C)=O 16322078 SFAVKSYZIBEGKC-UHFFFAOYSA-N 234.280 2.335 0 40 BEAB O=C(O)CCSc1ccc2c(c1)OCCO2 19094063 LMJJCUHBJIXUHM-UHFFFAOYSA-N 240.280 2.025 0 40 BEAB Cc1cc(Cl)c(C=O)c(=O)n1CC(C)C 19945105 JRIYUCVIIFHRDF-UHFFFAOYSA-N 227.691 2.279 0 40 BEAB CCCCOc1cc(CO)ccc1OC 20032368 OMHMDUHFBBLBKZ-UHFFFAOYSA-N 210.273 2.366 0 40 BEAB COc1ccccc1CNc1cnn(C)c1C 20350386 LHVXNRQTHWMCRQ-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB Cc1cccc(NC(=O)c2ccc[nH]c2=O)c1C 24813677 BPBVNUFKHSEWKG-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB Cc1cccc2nc(C(=O)N[C@H](C)C3CC3)cn12 25772192 YQNXGJNPLFOQQX-SNVBAGLBSA-N 243.310 2.171 0 40 BEAB c1ccc2oc(NC[C@H]3CCCO3)nc2c1 29219445 JXRFFMXVPOOWRK-SECBINFHSA-N 218.256 2.419 0 40 BEAB Cc1nc(NC(=O)C(C)C)nc2c1CCCC2 32765264 TZJSTOOQRIVLJF-UHFFFAOYSA-N 233.315 2.258 0 40 BEAB CCONC(=O)c1cc2ccc(F)cc2nc1C 32857777 OCFHATLNTYIHKC-UHFFFAOYSA-N 248.257 2.364 0 40 BEAB CN(Cc1ccco1)C[C@H](O)c1ccccc1 33015049 DKHBYFMJLBDQPJ-AWEZNQCLSA-N 231.295 2.445 0 40 BEAB CCOC(=O)Cc1cccc(F)c1F 34455367 OELUGFHHDHSVPJ-UHFFFAOYSA-N 200.184 2.070 0 40 BEAB COC(=O)[C@H](C)CNCc1ccc(Cl)cc1 35133485 ZDQVLZVASBBIBI-SECBINFHSA-N 241.718 2.239 0 40 BEAB CCOc1ccc(C(=O)Nc2cn[nH]c2)cc1 35237575 IAOMIXQEVZRQDQ-UHFFFAOYSA-N 231.255 2.061 0 40 BEAB Cc1ccc(-c2cnc(CCN)o2)c(C)c1 36159387 NEZGJHMWZRRLIE-UHFFFAOYSA-N 216.284 2.460 0 40 BEAB CCOc1cccc(C(=O)O)c1OCC 37408466 GLUPJFHPBAJZJS-UHFFFAOYSA-N 210.229 2.182 0 40 BEAB CCOc1ccccc1CNCCn1cccn1 42351826 FAFPIGDNDURKGL-UHFFFAOYSA-N 245.326 2.072 0 40 BEAB Cc1[nH]c2ccccc2c1C(=O)N1CCC1 71034607 FMUSXAGEHQMMRB-UHFFFAOYSA-N 214.268 2.322 0 40 BEAB CNC(=S)c1ccc(Br)cc1 75856571 DOIJKYRDEVQOTI-UHFFFAOYSA-N 230.130 2.344 0 40 BEAB COCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C 77559657 HTFGYHDJXIFHMC-WOPDTQHZSA-N 242.363 2.241 0 40 BEAB O[C@@H]1CCC[C@@H]1c1ccc(Br)cn1 85400039 AFHTXLQAHTXYEQ-PSASIEDQSA-N 242.116 2.473 0 40 BEAB O=C1CCN(Cc2ccc(Cl)cc2)C(=O)C1 86475992 IGPKQUCMVHUFEB-UHFFFAOYSA-N 237.686 2.032 0 40 BEAB O=C(NCCc1ccc[nH]1)c1ccncc1Cl 89352087 OGCPEMIADOSQGR-UHFFFAOYSA-N 249.701 2.036 0 40 BEAB O=S(=O)(c1ccc(F)c(F)c1)C(F)(F)F 91252538 NPRBLOOTRNRCEV-UHFFFAOYSA-N 246.156 2.258 0 40 BEAB CCOC(=O)c1nn(C(C)(C)C)c(N)c1Cl 95094655 FNEXLRWEPOCHPY-UHFFFAOYSA-N 245.710 2.050 0 40 BEAB CCSCC[C@@H](C)N(C)C(=O)c1cc[nH]n1 96441218 BOOSLWTXOZGIHX-SECBINFHSA-N 241.360 2.013 0 40 BEAB CCc1ccc(NC(=O)[C@@H](C)O)cc1CC 96492566 CEBLXWWUQBZLKW-SECBINFHSA-N 221.300 2.131 0 40 BEAB CCN(CC)CCS[C@@H]1CCO[C@@H]1C 97139659 MBLKRZTUPPYNSH-GHMZBOCLSA-N 217.378 2.239 0 40 BEAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(C(C)C)C(=O)[C@@H]21 100050644 QZDGIMJUMMQDQD-AAXDQBDMSA-N 245.322 2.148 0 40 BEAB Br/C=C/I 100065625 UTDMSJMYYBXEPR-OWOJBTEDSA-N 232.846 2.288 0 40 BEAB CC(C)c1cc(C(=O)N2C[C@H]3CC[C@H]2C3)on1 102366129 ZXFAEHWGPWPVLK-UWVGGRQHSA-N 234.299 2.423 0 40 BEAB CO[C@H](CNC(C)=O)c1ccccc1Cl 121894976 HQIBPIATQAMDKE-LLVKDONJSA-N 227.691 2.164 0 40 BEAB C[C@@H](NN)c1c(F)ccc(Cl)c1F 199536362 KTIIODPUYVYUQJ-SCSAIBSYSA-N 206.623 2.143 0 40 BEAB C1CCC(N2CCN[C@@H]3CCC[C@H]32)CC1 218851381 GHGZLQZVXKLYNC-CHWSQXEVSA-N 208.349 2.145 0 40 BEAB CCn1ncc2c(C=O)cc(C3CC3)nc21 225813924 SNTSQKDMKVSKRQ-UHFFFAOYSA-N 215.256 2.141 0 40 BEAB CC(C)Cc1ccc(CNC[C@@H]2CCCO2)[nH]1 226019901 VVMIXLJKIGWEKT-AWEZNQCLSA-N 236.359 2.482 0 40 BEAB CC(C)NC(=O)c1cn(-c2ccc(F)cc2)cn1 226753764 BMJIIKJIBMCFRP-UHFFFAOYSA-N 247.273 2.150 0 40 BEAB Cn1c(-c2cccnc2Cl)n[nH]c1=S 228928266 DJRFNGJOJRNIBU-UHFFFAOYSA-N 226.692 2.193 0 40 BEAB O=C(Nc1ccnc(Cl)c1)[C@@H]1CCCOC1 236047161 AVQNJGVIGJBGMN-MRVPVSSYSA-N 240.690 2.100 0 40 BEAB O=C(C1CC1)N1CC[C@@H](c2ccsc2)C1 675008115 AXPJDJXDGZTFLH-SNVBAGLBSA-N 221.325 2.474 0 40 BEAB CCc1[nH]c2ccc(O)cc2c(=O)c1C 685938827 ZXRHWFHYNGWVDJ-UHFFFAOYSA-N 203.241 2.105 0 40 BEAB CC1(C)CC[C@H]2CN(C3COC3)CC[C@@]2(C)O1 1615153501 AAKVUBDLDYOBIF-SMDDNHRTSA-N 239.359 2.055 0 40 BEAB Clc1ncnc(Cc2ccccc2)n1 1772715223 APKJDEZATYIZGC-UHFFFAOYSA-N 205.648 2.116 0 40 BEAB C[C@@H]1N(CCC(N)=O)c2ccccc2C1(C)C 52127 KHEWCDYWAJRYGB-JTQLQIEISA-N 232.327 2.048 0 40 BEAB biogenic CCOC(=O)c1ccc(NCCC(C)=O)cc1 1556506 NSNWTQNUVXLMQX-UHFFFAOYSA-N 235.283 2.254 0 40 BEAB CCN(C(C)=O)C(=O)c1cccc(C)c1 1691734 DFWSRJDTDPTFMP-UHFFFAOYSA-N 205.257 2.004 0 40 BEAB CCOP(=O)(OCC)N1[C@@H](C)[C@H]1C 1870256 SUZAKHPLQPCLTL-JVHMLUBASA-N 207.210 2.260 0 40 BEAB CCOC(=O)C(SCC)SCC 2534771 DGQHHBMWVOYSHU-UHFFFAOYSA-N 208.348 2.382 0 40 BEAB O=C(O)CSCc1ccc(O)c2ncccc12 5799581 ASDNWEFEBLBHID-UHFFFAOYSA-N 249.291 2.258 0 40 BEAB COc1cc(NC(=O)[C@@H]2C[C@H]2C)cc(OC)c1 6385971 YQRKNUWRPNIAAQ-PRHODGIISA-N 235.283 2.298 0 40 BEAB CN(CC(=O)NCc1ccco1)c1ccccc1 7115432 JHPZRQICJKTDNM-UHFFFAOYSA-N 244.294 2.032 0 40 BEAB CCOc1ccc(C(=O)Nc2nonc2C)cc1 8915138 DZQRLZZWTRZFMC-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB CSc1ccccc1NC(=O)Cn1ccnc1 10809338 YGASMMPSVPNSPG-UHFFFAOYSA-N 247.323 2.244 0 40 BEAB Cc1cc(CNC(=O)c2cccnc2)ccc1F 11008515 YLQFBCMWFDLECM-UHFFFAOYSA-N 244.269 2.459 0 40 BEAB C[C@H](c1ccccc1)N1CCC(N)CC1 11729499 PFQXDUKLHMLEHY-LLVKDONJSA-N 204.317 2.171 0 40 BEAB in-vitro COCc1ccc(C(=O)Nc2ccncc2)cc1 12537207 MZYBLVZKYPKRTF-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB COc1ccc([C@@H](O)c2cccc(N)c2)cc1 14988585 KRCULPGAHLEVKP-CQSZACIVSA-N 229.279 2.359 0 40 BEAB biogenic C[C@H]1CCc2ccccc2N1CCC(=O)O 20546808 RGMIIVUXSDHUKF-JTQLQIEISA-N 219.284 2.302 0 40 BEAB in-vitro Cc1cc(Cl)ccc1N1CCOCC1 22121996 MWUNUJCKJULJLN-UHFFFAOYSA-N 211.692 2.485 0 40 BEAB CCC[C@H](C(=O)OC)N1C[C@H](C)C[C@@H](C)C1 22538685 NPBBRGNFLTWNPV-IJLUTSLNSA-N 227.348 2.306 0 40 BEAB O=C(Nc1ccc2c(c1)CCO2)c1ccccn1 31343353 WHAZLQSPFUGWRC-UHFFFAOYSA-N 240.262 2.269 0 40 BEAB Cc1cccc(C(=O)c2cccc(C)n2)n1 34124064 HZOBODSAPPCATO-UHFFFAOYSA-N 212.252 2.324 0 40 BEAB in-vitro OCc1ccc(F)c(OC(F)(F)F)c1 34593251 MNQTYDARRPIQRK-UHFFFAOYSA-N 210.126 2.217 0 40 BEAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC1CC1 42652365 OPAFUGLDNDUAPN-TUAOUCFPSA-N 207.317 2.339 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCCCc1ccccc1 44866048 HEMJRMPGCWQHEW-WCQYABFASA-N 217.312 2.391 0 40 BEAB CC[C@@H](Oc1cccc2ccccc12)C(N)=O 61679694 GSOMEMFOTDDZMV-GFCCVEGCSA-N 229.279 2.483 0 40 BEAB Cc1nnc(CN(C)Cc2ccccc2)o1 61745464 NZCUQKKXAFUBTP-UHFFFAOYSA-N 217.272 2.010 0 40 BEAB COc1ccc([C@@H](CN)OC(C)C)cc1OC 62711779 IUFYYRDYOIAOTO-CYBMUJFWSA-N 239.315 2.129 0 40 BEAB CCNC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 75107891 CDFANPZPBBXYIG-MXWKQRLJSA-N 210.321 2.369 0 40 BEAB COC(=O)Cc1ccc(Br)c(C)c1 82721857 YFTGXSFZJYWMNC-UHFFFAOYSA-N 243.100 2.473 0 40 BEAB C[C@@H]1CCNc2cc(Br)cnc2N1 87261249 WSPXRJSKUGJUKY-ZCFIWIBFSA-N 242.120 2.460 0 40 BEAB CC(C)(C)OC(=O)N1CCC2(CC[C@H]2O)CC1 90411027 WDKIIEDHAHSCRN-SNVBAGLBSA-N 241.331 2.158 0 40 BEAB in-vitro CCOC(=O)/C=C(/Cl)C(F)(F)F 90463081 CJLDUCGLKBVTIB-ONEGZZNKSA-N 202.559 2.235 0 40 BEAB Cc1ccnc(SCCC2CCNCC2)n1 95908654 OKVZTVVHRZZSDY-UHFFFAOYSA-N 237.372 2.267 0 40 BEAB Cn1c(=O)oc2ccc(NCc3ccco3)cc21 95971939 MKSQGRURAGYHGJ-UHFFFAOYSA-N 244.250 2.337 0 40 BEAB Cc1cccc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)n1 96070512 VEZSCPNXSHOZBD-YDHLFZDLSA-N 246.354 2.389 0 40 BEAB CCS(=O)(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 96510176 RFHCBHCTZIVIBS-WDEREUQCSA-N 228.288 2.116 0 40 BEAB N=C(Cc1cc(F)cc(C(F)(F)F)c1)NO 228914680 QTGUYKJELIOQFP-UHFFFAOYSA-N 236.168 2.343 0 40 BEAB Cc1cc(CNCc2ccc(F)s2)n(C)n1 256051087 HQQLWHVEWGYITL-UHFFFAOYSA-N 239.319 2.219 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](O)CC[C@@H]21 1083104373 PDQMRWNTTPSWKZ-DCAQKATOSA-N 241.331 2.157 0 40 BEAB Cc1c(Br)cn2ncnc2c1C 1857793491 XCKJNDZNHWJUAA-UHFFFAOYSA-N 226.077 2.109 0 40 BEAB CCOC(=O)c1ccc(NC(=O)C2CC2)cc1 38382 FFEJMKMYJLKOID-UHFFFAOYSA-N 233.267 2.212 0 40 BEAB CC[C@H](C)NC(=O)c1ccc2nc(N)sc2c1 241737 XJTPKTRRDCCDIU-ZETCQYMHSA-N 249.339 2.407 0 40 BEAB O=C(O)COc1cc(Cl)cc(Cl)c1 334867 LXWGIMHMQOCPCR-UHFFFAOYSA-N 221.039 2.457 0 40 BEAB in-vitro Cc1ccc(F)c(NC(=O)c2ccnn2C)c1 1430097 WFNPKQYEKKBWOL-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CCCCOC(=O)CC1(O)CCCCC1 1687920 RZHRDWRQAUGJTB-UHFFFAOYSA-N 214.305 2.415 0 40 BEAB CCOCC(=O)Nc1nc2ccccc2s1 2065864 STHIFAQXTIMLIN-UHFFFAOYSA-N 236.296 2.271 0 40 BEAB c1nc(NC2CCCCCC2)c2nc[nH]c2n1 2719612 HWFPCEOCXDTMFC-UHFFFAOYSA-N 231.303 2.488 0 40 BEAB O=C1N=C(O)/C(=C/C(=C\O)c2ccccc2)N1 3845457 KZPQQLGNXNAAQW-BVCWLXBRSA-N 230.223 2.149 0 40 BEAB COc1ccc(C=O)cc1OC(F)F 3887828 ZIOBKYXYQVFUJT-UHFFFAOYSA-N 202.156 2.109 0 40 BEAB in-vitro CC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 5900584 UWDFEVOJJPJGLF-LBPRGKRZSA-N 233.267 2.007 0 40 BEAB CCOP(=O)(OCC)[C@H](N)C(C)C 6403989 UUSMBCSSWVSVGA-QMMMGPOBSA-N 209.226 2.193 0 40 BEAB CCCCC(=O)NC[C@@H](c1ccco1)N(C)C 9483425 KPIGIKXUCUILKY-NSHDSACASA-N 238.331 2.189 0 40 BEAB CC(C)(C)NS(=O)(=O)c1cc(F)cc(F)c1 10109463 URUVPFBPFGODQH-UHFFFAOYSA-N 249.282 2.042 0 40 BEAB CN(C)CCCOc1ccc(/C=C/C(=O)O)cc1 11962703 VAURYHOHNGKAIZ-RMKNXTFCSA-N 249.310 2.115 0 40 BEAB CCc1nnsc1C(=O)Nc1ccc(C)cn1 12748567 AQJOECLZVMKPAY-UHFFFAOYSA-N 248.311 2.056 0 40 BEAB Cc1sc(-c2ccco2)nc1C(=O)O 12810446 YMBJXVRGYQUGHR-UHFFFAOYSA-N 209.226 2.410 0 40 BEAB in-vitro Cn1cccc1C(=O)NCc1ccc(F)cc1 13493579 DYHAUIVJTSSYRK-UHFFFAOYSA-N 232.258 2.094 0 40 BEAB COc1cccc(OCCC2CCNCC2)c1 14632390 XZFAAABNZXFVTF-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB CC(C)C[C@@H](C)Oc1cc(CN)ccn1 19401045 VOJHKEXYZCVKSW-SNVBAGLBSA-N 208.305 2.354 0 40 BEAB in-vitro CC(C)(C)OC(=O)N1CCCCC[C@H]1CO 22016447 VUYFGGMFZDYXML-JTQLQIEISA-N 229.320 2.158 0 40 BEAB in-vitro CCCc1noc(-c2cccc(N)c2)n1 22119810 KUDBFTLNRIRJBY-UHFFFAOYSA-N 203.245 2.271 0 40 BEAB Oc1ccc(-c2cnc3n2CCC3)cc1 26472286 KKKUVTVUHQHKOP-UHFFFAOYSA-N 200.241 2.202 0 40 BEAB Cc1c(NC(=O)Cc2ccc(F)cc2)cnn1C 28575075 WMAHLCGNRFODRU-UHFFFAOYSA-N 247.273 2.049 0 40 BEAB O=C(O)c1cn(C2CC2)c2cc(F)ccc2c1=O 33994698 SZESLTPCOVTJOL-UHFFFAOYSA-N 247.225 2.174 0 40 BEAB in-vitro COC(=O)C(=O)c1c[nH]c2c(Cl)cccc12 39077002 WAJWUEJTSIZVDD-UHFFFAOYSA-N 237.642 2.177 0 40 BEAB COC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 41421853 WIWYUMLFLGREMI-ZYHUDNBSSA-N 235.283 2.215 0 40 BEAB CC1CCN(CC(=O)N(C(C)C)C(C)C)CC1 42975689 GWHLMDMVQGFWIP-UHFFFAOYSA-N 240.391 2.364 0 40 BEAB Fc1nccc2c(Br)c[nH]c12 44700147 OXRAMKHOGBHRKO-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB CNC(=O)N1CCC[C@H]1c1ccsc1 44970598 SROYXQDXWAVYDT-VIFPVBQESA-N 210.302 2.224 0 40 BEAB NC(=O)c1ccc(-c2ccc(F)c(F)c2F)o1 49830394 DESDCMMPWAMXIW-UHFFFAOYSA-N 241.168 2.463 0 40 BEAB Cc1[nH]ncc1CCCNc1ccc(F)cn1 50182950 OQWFFQBLOSIPRT-UHFFFAOYSA-N 234.278 2.297 0 40 BEAB COc1ccnc(Sc2ccc(O)cc2)n1 69704030 PXQMODOVCGZPEJ-UHFFFAOYSA-N 234.280 2.342 0 40 BEAB FC(F)(F)c1ccnc(NC[C@H]2CCCO2)n1 70250139 QQEZRACLTOYSMF-SSDOTTSWSA-N 247.220 2.086 0 40 BEAB C[C@@H](O)c1ccc(S[C@H]2CCOC2=O)cc1 70621193 CWVCDNJHJPPAQD-KCJUWKMLSA-N 238.308 2.148 0 40 BEAB C[C@](O)(c1cccc(N)c1)C(F)(F)F 75846234 MMXMXXTVUOQSJY-QMMMGPOBSA-N 205.179 2.039 0 40 BEAB CCCNC[C@@H]1CCCN2CCCC[C@@H]12 75847971 ZFTMSBRKTZIYBZ-STQMWFEESA-N 210.365 2.251 0 40 BEAB C[C@H](C(=O)O)[C@H]1CCN(Cc2ccccc2)C1 82343104 HBRSSCLTCVYAAK-AAEUAGOBSA-N 233.311 2.229 0 40 BEAB C[C@@H](N)C1CCN(c2ncccc2Cl)CC1 82475203 XAAXDPVADPCTPT-SECBINFHSA-N 239.750 2.299 0 40 BEAB CO[C@@]1(C)C[C@@H](NC(=O)c2cccnc2)C1(C)C 84668204 QSQZVXJSUUJAJQ-RISCZKNCSA-N 248.326 2.015 0 40 BEAB COc1cc2ncsc2cc1C(=O)O 95760978 QZMXXCUMTMOHFJ-UHFFFAOYSA-N 209.226 2.003 0 40 BEAB COCCSCc1ccnc(N(C)C)c1 96006609 FLVZITRZBFYCPD-UHFFFAOYSA-N 226.345 2.027 0 40 BEAB O=c1c2ccsc2ccn1C[C@@H]1CCOC1 96500040 IXNGUNYYTSHCRL-VIFPVBQESA-N 235.308 2.100 0 40 BEAB CCO[C@@H]1C[C@@H](NC2CCCCCC2)[C@@H]1OC 97057967 BLKGSAMNMMVEKW-MCIONIFRSA-N 241.375 2.491 0 40 BEAB CC[C@H]1C(OC)=C[C@]2(CC)C[C@]1(OC)OC2=O 104235464 WYERYMLJHAVTKA-BIMULSAOSA-N 240.299 2.243 0 40 BEAB C[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CC[C@H]1C 129544800 QNBVJVUNGNGMDR-BZPMIXESSA-N 246.354 2.191 0 40 BEAB FC(F)(F)c1ccc(-n2nnnc2Cl)cc1 139624036 GKIQTARLQXSWJZ-UHFFFAOYSA-N 248.595 2.335 0 40 BEAB CC1(C)COc2ccc(C(=O)O)cc2OC1 142650633 RPDYEDDCNLELQE-UHFFFAOYSA-N 222.240 2.182 0 40 BEAB c1cc(C[C@@H]2CCNC2)nc(-c2nccs2)c1 205690983 GQUMRYBZDRUMNH-JTQLQIEISA-N 245.351 2.357 0 40 BEAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)O 217835261 KYSNDLGMJKQKME-SNVBAGLBSA-N 246.266 2.033 0 40 BEAB CCn1nc(C)c(Br)c1F 238855119 QNYZDLXUNGOREG-UHFFFAOYSA-N 207.046 2.113 0 40 BEAB COc1ccccc1CNc1cn(C)nc1OC 256050470 FCULTDKMUJHDRS-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB C[C@]12CCN(C3CCCCC3)[C@H]1CCC(=O)N2 257322218 WFBDOUWWAFCJIJ-JSGCOSHPSA-N 236.359 2.062 0 40 BEAB CN(c1nccn2nccc12)C1CCCC1 1888856571 WZOQPHBXARFCNX-UHFFFAOYSA-N 216.288 2.108 0 40 BEAB CC(C)(C)NC(=O)NCCc1ccccc1 137009 DVFAACATNWSQPT-UHFFFAOYSA-N 220.316 2.327 0 40 BEAB COC(=O)C[C@@]1(O)C=CCC[C@@H]1c1ccccc1 1632470 YTNVBQYOPKQGNS-HIFRSBDPSA-N 246.306 2.414 0 40 BEAB Nc1cccc(C(=O)c2ccccc2C(=O)O)c1 1669765 GLPFSDPAITZWBL-UHFFFAOYSA-N 241.246 2.198 0 40 BEAB CC(O)(C(F)(F)Cl)C(F)(F)Cl 1675520 DWCDTUGIYIQITP-UHFFFAOYSA-N 214.973 2.401 0 40 BEAB Cc1ccc2[nH]c3c(c2c1)CCNCC3 2018611 FVLVZXBWCQAPAT-UHFFFAOYSA-N 200.285 2.165 0 40 BEAB Cc1nn(C)cc1CNCc1ccc(F)cc1 2536051 HCWRWDXQGNOZND-UHFFFAOYSA-N 233.290 2.157 0 40 BEAB O=C(OCC(=O)c1cccs1)c1ccco1 3217695 DCLNXYVZZDMNCP-UHFFFAOYSA-N 236.248 2.381 0 40 BEAB NC[C@H](O)CN(c1ccccc1)c1ccccc1 4733397 WUFRQNTUVKVLBK-HNNXBMFYSA-N 242.322 2.144 0 40 BEAB CCCCCCS[C@H](CC(=O)O)C(=O)O 5418327 JLOMIEZOLWQRSI-MRVPVSSYSA-N 234.317 2.228 0 40 BEAB O=C(Nc1cccc(N2CCCC2=O)c1)C1CC1 5440460 QDDDRHADSYMPBD-UHFFFAOYSA-N 244.294 2.162 0 40 BEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cn1 13746842 RBKWRERYPKKKEE-XPUUQOCRSA-N 210.664 2.330 0 40 BEAB O=c1[nH]cc(Br)c2sccc12 16955871 IFGFCNNLXIUQIV-UHFFFAOYSA-N 230.086 2.352 0 40 BEAB CSc1ccc([C@@H](C)NS(C)(=O)=O)cc1 20029898 CUDIFEOEUZAXLP-MRVPVSSYSA-N 245.369 2.019 0 40 BEAB CCN1CCC[C@@H]1CNCc1cccc(OC)c1 22936399 IXNIBIRWZKGECC-CQSZACIVSA-N 248.370 2.269 0 40 BEAB Cc1cc(NC(=O)[C@H](C)Nc2ccccc2)no1 24978520 CKXMEERQKUVQFX-JTQLQIEISA-N 245.282 2.422 0 40 BEAB CCn1nc(C)c2nc(C)nc(Cl)c21 26467648 OEMZJXCVHOFGIL-UHFFFAOYSA-N 210.668 2.116 0 40 BEAB O=C(NC1CC1)c1cc(-c2ccccc2)on1 31333962 JEIMILOSMPBAEZ-UHFFFAOYSA-N 228.251 2.234 0 40 BEAB Cc1ccc2ncnc(-n3ccnc3)c2c1 32540906 YWIYSPCADHXTKF-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB CC1CCN(C(=O)CCc2ccco2)CC1 32819399 WXNBMYFXKPCZFQ-UHFFFAOYSA-N 221.300 2.471 0 40 BEAB CCONC(=O)c1cnc2onc(C(C)C)c2c1 32882414 RMAPTXPXNQOXDI-UHFFFAOYSA-N 249.270 2.028 0 40 BEAB O=C(Cc1c[nH]c2ccccc12)NCC1CC1 32906072 UEOZDERXSAKVDI-UHFFFAOYSA-N 228.295 2.237 0 40 BEAB OC[C@@H](NCc1ccco1)c1ccccc1 34353096 CJLVELIJYKNDMO-CYBMUJFWSA-N 217.268 2.103 0 40 BEAB COc1ccc(Cl)c2c(=O)cc[nH]c12 35731133 OOXYRZPBDBTGKA-UHFFFAOYSA-N 209.632 2.190 0 40 BEAB COc1ccc(CO)c(OC(F)(F)F)c1 36533754 KWHDKYNYQDSSHZ-UHFFFAOYSA-N 222.162 2.086 0 40 BEAB C=CC(=O)N[C@@H](C)c1cc(C)ccc1OC 37004047 LSRBKJWTDQGBAF-JTQLQIEISA-N 219.284 2.367 0 40 BEAB Clc1ccc(CNC2CCNCC2)cc1 38040791 MZGDTBUVBNLABG-UHFFFAOYSA-N 224.735 2.182 0 40 BEAB CC(C)c1ccc(C(=O)O)cc1[S@@](=O)O 39170368 YSWFEMNXQJGYBW-UHFFFAOYSA-N 228.269 2.089 0 40 BEAB CCOC(=O)CCN(C)CC1CCCCC1 42375747 WRENCIOJGNBJHY-UHFFFAOYSA-N 227.348 2.452 0 40 BEAB N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 42580674 OBGZFVWPRYVPRE-ZETCQYMHSA-N 214.671 2.017 0 40 BEAB CC[C@H](C)c1ccccc1OCC(N)=O 44865909 VIWFHGAOGXJZKT-VIFPVBQESA-N 207.273 2.064 0 40 BEAB COc1cc(F)c(/C=C/C(=O)O)c(F)c1 49591279 IOESUUBOQLMCIQ-NSCUHMNNSA-N 214.167 2.071 0 40 BEAB CC(=O)c1cc(Br)cc(F)c1O 52066170 NBDDFAKYVVDWPU-UHFFFAOYSA-N 233.036 2.496 0 40 BEAB in-vitro O=C(Nc1ccc(Cl)cn1)C(F)(F)F 57316761 OGHWMSIANUDFHP-UHFFFAOYSA-N 224.569 2.236 0 40 BEAB C[C@@H]([C@@H](C)NCc1ccccn1)n1cccn1 69349734 MDHZUNCTCSGVSG-NEPJUHHUSA-N 230.315 2.017 0 40 BEAB Cc1cc(N)ncc1[C@@H](N)c1ccccc1 72223090 BASWNCGTZCHHDV-ZDUSSCGKSA-N 213.284 2.020 0 40 BEAB c1cc([C@@H]2CCCN2)nc(N2CCCC2)c1 72386370 JEJBLVBYRAJKON-NSHDSACASA-N 217.316 2.106 0 40 BEAB COc1cc(Cl)cc(/C=C/C(=O)O)c1 83259904 MMZYUZYNJCNMHR-NSCUHMNNSA-N 212.632 2.446 0 40 BEAB Cc1ccc(-c2ccnn2C)cc1C(=O)O 83689540 ZAKIZKQYVGPLGN-UHFFFAOYSA-N 216.240 2.094 0 40 BEAB Cc1nc(CNC(=O)N[C@@H]2C=CCCC2)oc1C 89558487 YFKZZZISQOXECU-LLVKDONJSA-N 249.314 2.199 0 40 BEAB C[C@H]1CC[C@@H](C(=O)N2CC(C)(C)C2(C)C)O1 89922803 FSHJBLIITCIKMH-UWVGGRQHSA-N 225.332 2.201 0 40 BEAB Nc1ccc(OC(F)F)c2cccnc12 95883758 JWTQKVKKARCGCQ-UHFFFAOYSA-N 210.183 2.418 0 40 BEAB in-vitro OCc1c(F)cc(C(F)(F)F)cc1F 96300574 IWZJMMRHZHBIBS-UHFFFAOYSA-N 212.117 2.476 0 40 BEAB in-vitro CN1CC[C@@]2(CO2)c2cc(Cl)ccc2C1 96510471 HFRKUBWZPADPJK-GFCCVEGCSA-N 223.703 2.401 0 40 BEAB COC(=O)c1c(C=O)cccc1C(F)(F)F 96511143 VBCARHYQKNRDMU-UHFFFAOYSA-N 232.157 2.305 0 40 BEAB COC(=O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 96742746 CMVFFHQNGPTDLD-QMMMGPOBSA-N 243.253 2.131 0 40 BEAB Cc1ccc(C)c(CC(=O)Nc2cnccn2)c1 97146268 DICYOVRUGXAWBM-UHFFFAOYSA-N 241.294 2.275 0 40 BEAB CSC(C)(C)COC(=O)c1ncoc1C 97230648 VMQDXXDPBDXNNK-UHFFFAOYSA-N 229.301 2.281 0 40 BEAB Oc1c2c(nn1-c1ccc(F)cc1)NCCC2 110757598 UNVPNBQOIXDOIP-UHFFFAOYSA-N 233.246 2.075 0 40 BEAB COCOc1ccc(Br)cc1OC 167183298 YKZDSUQEZRQTJE-UHFFFAOYSA-N 247.088 2.440 0 40 BEAB Cc1ccc(C=O)c(N2CCCCC2)n1 217733266 KLCNWOVPTSWKDD-UHFFFAOYSA-N 204.273 2.193 0 40 BEAB CO[C@H](Cc1ccc(Cl)cc1C)C(=O)O 225075754 ODHUJADCWRNHEB-SNVBAGLBSA-N 228.675 2.291 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](O)c1ccccc1 253369704 GXYMBIRBWRFAIC-SCUASFONSA-N 245.322 2.025 0 40 BEAB Cc1c(NCCc2ccccc2)cnn1C 256053079 PWIDUHKDTNLLQF-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB Cc1cc(CNc2cn(C(C)C)nc2C)n(C)n1 256053499 RRMFXYMBMGPCSQ-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Clc1cnc(N2C[C@H]3CCC[C@H]3C2)nc1 336474695 PKKNDDKUXLHLLU-DTORHVGOSA-N 223.707 2.366 0 40 BEAB O=C1CCc2ccc(F)c(Br)c2N1 1857791356 DIFKPCPCAYTLLY-UHFFFAOYSA-N 244.063 2.473 0 40 BEAB CS(=O)(=O)Nc1cc(Cl)ccc1Cl 29494 KBYOLEBANUSCKX-UHFFFAOYSA-N 240.111 2.365 0 40 BEAB Cc1ccc(NC(=O)CNCc2ccco2)cc1 411405 HICAXYFRHVGOAE-UHFFFAOYSA-N 244.294 2.316 0 40 BEAB CCCCOC[C@@H](O)COc1ccccc1 1542914 WBLXZPHICYCDGN-GFCCVEGCSA-N 224.300 2.243 0 40 BEAB in-man CC(C)n1ncc2c(C(=O)O)c3c(nc21)CCC3 3882666 CFUNVQZNZYZOFZ-UHFFFAOYSA-N 245.282 2.199 0 40 BEAB CC1=NNC(=O)O[C@]1(C)c1ccccc1 4776601 CWZAHGNWKZHUDH-NSHDSACASA-N 204.229 2.018 0 40 BEAB S=CC1=C2NCCCN2[C@H]2CCCC[C@H]12 5290185 PKKFXCVBJFFZJO-KOLCDFICSA-N 222.357 2.065 0 40 BEAB biogenic CCCNC(=S)Nc1cccc(C)n1 7143402 UCLBJHFSHIAHNX-UHFFFAOYSA-N 209.318 2.086 0 40 BEAB CCOc1ccc(CNC2CC2)cc1OC 8324679 BGTLOJVRNSXCAF-UHFFFAOYSA-N 221.300 2.346 0 40 BEAB COC[C@H](C)Oc1c(N)cccc1Cl 8730300 ZGBFOSYLDJGKJE-ZETCQYMHSA-N 215.680 2.336 0 40 BEAB O=C(O)COc1cccc(Oc2ccccn2)c1 12606623 WWSNMVHHPWXBLR-UHFFFAOYSA-N 245.234 2.337 0 40 BEAB CC(=O)NCCSCc1ccccc1F 13647409 PDCANYYGMPWXDU-UHFFFAOYSA-N 227.304 2.195 0 40 BEAB CN1CCO[C@H](CCCc2ccccc2)C1 14959286 UUBKYYWHMDTBGE-CQSZACIVSA-N 219.328 2.340 0 40 BEAB O=C(Oc1ccc(Cl)cc1)c1ccc(=O)[nH]c1 16046449 BHSUKLGRRIYXQD-UHFFFAOYSA-N 249.653 2.248 0 40 BEAB Cc1cnc(C(=O)NCc2ccccc2C)cn1 18832139 DMUQZBRCHVPJDV-UHFFFAOYSA-N 241.294 2.023 0 40 BEAB O=C(CNC1CCCCC1)NC1CCCCC1 20035770 QDZDMLIMJVTASF-UHFFFAOYSA-N 238.375 2.358 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(F)cc1N 20157321 KNIJIOAGILPXCD-SSDOTTSWSA-N 210.252 2.393 0 40 BEAB CCOC(=O)CN(CC)Cc1ccccc1 20361289 IKKYKXBJOFOTGT-UHFFFAOYSA-N 221.300 2.072 0 40 BEAB in-vitro C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccn1 32841326 QMXQHIZLRAGABF-AAEUAGOBSA-N 247.342 2.460 0 40 BEAB C[C@](C(=O)O)(c1ccc(F)cc1)N1CCCC1 37359510 WXROMYIJVXTJER-CYBMUJFWSA-N 237.274 2.221 0 40 BEAB CC(C)CN1CCN(c2ccc(O)cc2)CC1 39317698 KZMOPAJLHBFRAG-UHFFFAOYSA-N 234.343 2.170 0 40 BEAB CC(C)CN1CCN(c2ccccc2)CC1 39642471 UMFDOOWMKLRAAA-UHFFFAOYSA-N 218.344 2.465 0 40 BEAB COC(=O)COc1ccc(Cl)cc1C(C)=O 39648292 FTLIHCOGDZLXNV-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB COC[C@@H](C)NC(=O)c1c(F)cccc1Cl 40042858 KTEKEDXBSKGRIR-SSDOTTSWSA-N 245.681 2.244 0 40 BEAB CC[C@H](C)[C@@H](C)Nc1ncnc2c1cnn2C 42417215 VRGQQBLIBHVYMT-DTWKUNHWSA-N 233.319 2.210 0 40 BEAB Fc1cc(CN2CCCNCC2)ccc1Cl 43391264 FJVREBRUSVKEAP-UHFFFAOYSA-N 242.725 2.274 0 40 BEAB COc1cccc(CN2C[C@H](C)OC[C@H]2C)c1 45838927 YBWDEQGDJJMQRM-NEPJUHHUSA-N 235.327 2.304 0 40 BEAB CN(CCO)Cc1c(Cl)cccc1Cl 49633346 YWJSBUJHKOLHIZ-UHFFFAOYSA-N 234.126 2.418 0 40 BEAB Fc1ccc(NCc2ncc[nH]2)c(F)c1 49714578 JBAARDIKVMAUJG-UHFFFAOYSA-N 209.199 2.300 0 40 BEAB COc1cccc(CN2CCCC[C@@H]2CCO)c1 49801372 ACACCUZTYJQPIY-CQSZACIVSA-N 249.354 2.432 0 40 BEAB C[C@@H](Nc1ccc(F)cc1)C(=O)N1CCCC1 55420997 RQEOVEDAIQGRRH-SNVBAGLBSA-N 236.290 2.249 0 40 BEAB Cc1ccc(C)c(C[C@H](C(=O)O)N2CCCC2)c1 57536419 HAQDUMFJZJBDNW-CQSZACIVSA-N 247.338 2.395 0 40 BEAB CC(=O)Nc1nnc(SCC(C)C)s1 59041694 FSDUQJGQHSPEBD-UHFFFAOYSA-N 231.346 2.245 0 40 BEAB CCOc1ccc(-c2cc(CNC)n[nH]2)cc1 66112923 OTXUVTTTYXEVBR-UHFFFAOYSA-N 231.299 2.195 0 40 BEAB c1nc(N2CCSCC2)c2sccc2n1 71811098 NXPKYZDTYDHIKB-UHFFFAOYSA-N 237.353 2.245 0 40 BEAB CC(C)NC(=O)N(Cc1ccccn1)C(C)C 71902356 RAMKDXFQXDHBSH-UHFFFAOYSA-N 235.331 2.410 0 40 BEAB CC(C)CCOc1ccccc1[C@H](O)CN 72220126 ROWQZOXBSBHRFP-GFCCVEGCSA-N 223.316 2.104 0 40 BEAB Oc1cccc(CN[C@@H]2CCCSC2)c1 75152011 DKFZXGJRYZAXPI-LLVKDONJSA-N 223.341 2.377 0 40 BEAB Cc1cnn(-c2ccccc2Cl)c1N 77301081 NHYUVMWIMDPDSW-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB COc1cccc(C(=O)OCC[C@@H](C)OC)c1 78949273 JYPFYKHRPUWNGU-SNVBAGLBSA-N 238.283 2.277 0 40 BEAB O=C(O)CNCc1cc(Cl)ccc1Cl 79420436 CKHIUZODJGWIFB-UHFFFAOYSA-N 234.082 2.168 0 40 BEAB COCc1noc(-c2cccc3c2ccn3C)n1 84321677 ZWABUYRUFYSGCK-UHFFFAOYSA-N 243.266 2.375 0 40 BEAB Cc1c(F)cc2ccc(C=O)nc2c1N 85399776 KRHKGPCRVNECBN-UHFFFAOYSA-N 204.204 2.077 0 40 BEAB Cc1ccc(C(=O)CSCC(=O)O)cc1C 95634255 XHZLKLYIJHTCBT-UHFFFAOYSA-N 238.308 2.304 0 40 BEAB COc1cc(F)ccc1C1([C@@H](C)O)CC1 95739177 YSBCAGYIEPANPY-MRVPVSSYSA-N 210.248 2.247 0 40 BEAB C[C@@H](CC(N)=O)N[C@@H]1CC[C@@H](C)c2ccccc21 96486255 IBTZBNVEJUCUQT-UHIISALHSA-N 246.354 2.479 0 40 BEAB Cc1ccc(O)c(CN[C@H]2CCCSC2)n1 98018520 RLDMBGUYOJELSQ-JTQLQIEISA-N 238.356 2.081 0 40 BEAB Nc1ccc(-c2ccnc(Cl)n2)cc1 107147156 RNRRNCPSXOTLIS-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB Cc1ccccc1NC(=O)C1[C@H]2CC[C@H]1CNC2 107420151 MCNMTYHRTNWHSS-RYUDHWBXSA-N 244.338 2.179 0 40 BEAB O=C(O)c1cc(Cl)nc(OC(F)(F)F)c1 118594330 UCKPXDJIXHZKPQ-UHFFFAOYSA-N 241.552 2.332 0 40 BEAB Cc1cc(C(=O)NC(C)(C)CO)ccc1Cl 125445606 YSHAFHYLYBCSHP-UHFFFAOYSA-N 241.718 2.149 0 40 BEAB CC(=O)N1CCc2cc(Cl)ccc2C1 146455714 NJHWVBIQAKXVIY-UHFFFAOYSA-N 209.676 2.245 0 40 BEAB CO[C@@](C(=N)N)(c1ccccc1)C(F)(F)F 199556565 WFNMKCBIWAWLBF-SECBINFHSA-N 232.205 2.027 0 40 BEAB c1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 218831546 DWNQWSQAKMLZFG-KGLIPLIRSA-N 216.328 2.407 0 40 BEAB C[C@@]1(c2ccc(Cl)cc2)CC(CN)=NO1 222551128 RXHVOIDDRDXAMU-NSHDSACASA-N 224.691 2.290 0 40 BEAB CC[C@H](C(=O)O)N(CC)c1cccc(OC)c1 224997464 UAHLDOKBYIKYIE-GFCCVEGCSA-N 237.299 2.385 0 40 BEAB Nc1cc(Cl)c(CC(=O)O)c(Cl)c1 228906191 KGRKTBNHZRDZKE-UHFFFAOYSA-N 220.055 2.203 0 40 BEAB Cc1cnn(C)c1CNc1ccnn1C(C)C 256053574 RZRRXJCLSWDHHY-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB FC(F)(F)Cn1nccc1Br 306374652 KTFXQQOBRWIUQH-UHFFFAOYSA-N 228.999 2.208 0 40 BEAB CN(C)[C@H]1CCC[C@H]1Oc1ccc(F)cn1 585653505 HGPBLCRABDHTFZ-WDEREUQCSA-N 224.279 2.082 0 40 BEAB CN(C)[C@H]1CCCC[C@@H]1Oc1ccccn1 585654605 JQTHWLUXDKASSY-RYUDHWBXSA-N 220.316 2.333 0 40 BEAB Cc1cc(C)cc(CSc2nnc(C)n2N)c1 148913 YGRRSBUBFZKLNH-UHFFFAOYSA-N 248.355 2.209 0 40 BEAB COC(=O)c1cc(-c2ccc(C)cc2)no1 266341 DQKLNXNTMSKHBC-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB CCCC(=O)Oc1ccccc1C(=O)OC 363979 TYFUSHVPRYRNFF-UHFFFAOYSA-N 222.240 2.179 0 40 BEAB O=c1oc(-c2ccncc2)nc2ccccc12 506093 XBLCWAWOPGTMSA-UHFFFAOYSA-N 224.219 2.250 0 40 BEAB CC(=O)N(C)c1nnc(-c2ccc(C)cc2)s1 1356353 BYAXWUPMEBPRNV-UHFFFAOYSA-N 247.323 2.496 0 40 BEAB C[C@H](NC(=S)N(C)C)c1ccccc1 1410949 LHHDYYXEQTZEMF-VIFPVBQESA-N 208.330 2.184 0 40 BEAB CC(=O)c1cc(C(=O)O)c(O)c2ccccc12 1565924 HVYZEEJHCPZBPG-UHFFFAOYSA-N 230.219 2.446 0 40 BEAB CCOC(OCC)c1ccc2c(c1)OCO2 1570889 YDQLGNDCYHZHEE-UHFFFAOYSA-N 224.256 2.487 0 40 BEAB CN1CCN(c2ccc(Cl)cc2)CC1 1605943 QSWNKAMBKWBJGH-UHFFFAOYSA-N 210.708 2.092 0 40 BEAB COc1ccc(C(=O)P(=O)(OC)OC)cc1 1678470 TYYKVIUTXZKDQU-UHFFFAOYSA-N 244.183 2.321 0 40 BEAB O=C(O)[C@@H]1CCCCN1Cc1ccccc1F 3754791 ZFWBRKWMVFIPDB-LBPRGKRZSA-N 237.274 2.265 0 40 BEAB CCC[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 5591455 MKKREYTWDYEBFD-HBNTYKKESA-N 213.321 2.058 0 40 BEAB O=C(NCc1ccccc1)[C@H]1CC1(Cl)Cl 6337383 WIGZYRPMGXHTDC-SECBINFHSA-N 244.121 2.497 0 40 BEAB O=C(O)[C@@H](c1ccccc1)C1(O)CCCC1 6507031 MHVVPVXRMHIATI-LLVKDONJSA-N 220.268 2.160 0 40 BEAB in-vitro Cc1ccnc(Cn2cccc2C=O)c1 8702360 DQBZKBCCMPFFEE-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB O=C(O)c1ccc(CNC2CCCCC2)o1 8729691 LCFVBWFWYVMEDJ-UHFFFAOYSA-N 223.272 2.400 0 40 BEAB Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)cc1 8778166 JFDPTYRIVLGHLH-UHFFFAOYSA-N 248.326 2.096 0 40 BEAB NC(=O)c1ccc(CSc2ccccn2)cc1 11334873 DLHSYSFDDSRGTD-UHFFFAOYSA-N 244.319 2.473 0 40 BEAB CC(C)CCNc1nnnn1-c1ccccc1 15206767 MMXFKKJFWLZLBV-UHFFFAOYSA-N 231.303 2.120 0 40 BEAB Cc1cc(C(=O)N2CCc3sccc3C2)on1 21627958 RGHZCWYTYFIDNT-UHFFFAOYSA-N 248.307 2.243 0 40 BEAB Cc1ccc(C[C@@H](O)CN2CCCCC2)cc1 27987698 DNBQFAYIPBXCQX-OAHLLOKOSA-N 233.355 2.384 0 40 BEAB CC(C)(C)C(=O)NC[C@@H]1COc2ccccc2C1 28076072 HSJGBRGCIAEXDP-LLVKDONJSA-N 247.338 2.400 0 40 BEAB O=C(CCc1ccc(F)cc1)N1CCCC1 32736111 JBSXTFMTJPKWFW-UHFFFAOYSA-N 221.275 2.381 0 40 BEAB Cc1cccc(CCC(=O)N2CCC2)c1 32845864 ZPDHIGGDIDJXFO-UHFFFAOYSA-N 203.285 2.160 0 40 BEAB CCCNS(=O)(=O)c1cccc(Cl)c1C 37064507 VNEQGYVZEGAYBC-UHFFFAOYSA-N 247.747 2.337 0 40 BEAB Cc1cc(CN(C)C(=O)[C@@H]2CC=CCC2)no1 40505364 RSXZFXXYBANCSX-LLVKDONJSA-N 234.299 2.298 0 40 BEAB COc1cc(Cl)c(Cl)c(CO)c1O 40544721 JFFJUBDZGRKDDN-UHFFFAOYSA-N 223.055 2.200 0 40 BEAB C[C@H](Cn1cccn1)NCC1CCCC1 42319614 WKHFITYYBYSMCU-LLVKDONJSA-N 207.321 2.051 0 40 BEAB Cc1ccnc(SCC[C@@H]2CCCCN2)n1 51332217 RMSRUMOGLNDJGX-NSHDSACASA-N 237.372 2.409 0 40 BEAB C[C@H](CC(=O)N1CCNC[C@H]1C)CC(C)(C)C 54369978 PGEYFXAHUPHRHL-VXGBXAGGSA-N 240.391 2.269 0 40 BEAB CSC[C@@H](N)Cc1ccc(F)cc1F 54495125 CSDLWBZNGGEAGJ-VIFPVBQESA-N 217.284 2.198 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cnn(C)c1C 58283732 GTCRRMDBJUAODQ-NSHDSACASA-N 235.331 2.133 0 40 BEAB O=C(NCc1ccccc1)NCC(F)(F)F 59942313 GTVPCDUMIYQQJR-UHFFFAOYSA-N 232.205 2.048 0 40 BEAB C[C@H](NN)c1ccc(F)c(Br)c1 61689239 QNEIHOKLGNQKSN-YFKPBYRVSA-N 233.084 2.113 0 40 BEAB Cc1nc(C)c(C(=O)Nc2ncccc2O)s1 65519246 CQIDYMYEYTXAIC-UHFFFAOYSA-N 249.295 2.113 0 40 BEAB CC(C)c1cc(N2CCC[C@@H](CCN)C2)ncn1 70073976 UZDVMVOGAZXNPL-LBPRGKRZSA-N 248.374 2.165 0 40 BEAB Cc1cc(C(=O)O)nn1Cc1ccccc1F 71543463 VNYJATHHZOWAMI-UHFFFAOYSA-N 234.230 2.077 0 40 BEAB CC(C)N1CCO[C@H](c2cc3cccnc3[nH]2)C1 72381400 IYDIYSWPPOSSOL-ZDUSSCGKSA-N 245.326 2.345 0 40 BEAB CC(C)N1CCC(Cc2nccn2C)CC1 72381402 PFSDPGYZEPFTRG-UHFFFAOYSA-N 221.348 2.083 0 40 BEAB COc1ccccc1NC(=O)[C@H]1CCCCCN1 80993101 XIAIINJVQDMPDU-GFCCVEGCSA-N 248.326 2.166 0 40 BEAB O=C(O)C(F)(F)c1ccc2ncccc2c1 84192871 XPNFHEBOISKYGR-UHFFFAOYSA-N 223.178 2.411 0 40 BEAB CCOc1cncc(N(C)CCC(F)(F)F)n1 91458704 KLFIMJBBGCFBQU-UHFFFAOYSA-N 249.236 2.264 0 40 BEAB CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1O 95942558 SYCPWHUVXAZZPW-VHSXEESVSA-N 229.320 2.157 0 40 BEAB in-vitro C[C@@H](C[C@H](O)c1ccccc1)NCc1ncc[nH]1 95978172 SKAGLMUJGKMDRO-AAEUAGOBSA-N 245.326 2.012 0 40 BEAB CC(C)c1cc(C(=O)OCCCF)n[nH]1 96422153 LKAKBPNWDZBJLN-UHFFFAOYSA-N 214.240 2.050 0 40 BEAB Cc1cc(C)nc(NC(=O)NCC2CC2)c1 97142967 MIWPQNWENBTFFS-UHFFFAOYSA-N 219.288 2.230 0 40 BEAB N[C@@H]1CCC[C@H]1Nc1cc(F)ccc1F 218882602 XCPUZSHCBZMRPF-NXEZZACHSA-N 212.243 2.257 0 40 BEAB Cc1cccc(NC(=O)c2cnc(C)nc2)c1 222587215 YXSMQAPKRDEZQV-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB Cn1c(CO)ccc1Cc1ccccc1 226027265 GHPLPNQKVSPNPJ-UHFFFAOYSA-N 201.269 2.108 0 40 BEAB COC(=O)c1c(F)ccc(SC)c1F 260305037 XHVCKAPWILAYGP-UHFFFAOYSA-N 218.224 2.473 0 40 BEAB c1ccc(CN2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)cc1 536948297 WBDUGCMYPUIWLB-ZJIFWQFVSA-N 242.366 2.116 0 40 BEAB O=C1Nc2cccnc2O[C@H]1c1ccccc1 2362803635 SHIXJWYBITUHAU-NSHDSACASA-N 226.235 2.154 0 40 BEAB CSc1nnc(-c2ccccc2)n1C 124614 YQMPWJBMMZNZRK-UHFFFAOYSA-N 205.286 2.204 0 40 BEAB OCc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 525794 FUAJLBSACXGZLD-CYBMUJFWSA-N 242.322 2.114 0 40 BEAB biogenic NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1707189 NLCMEHMMHGPCMX-AWEZNQCLSA-N 237.302 2.478 0 40 BEAB CN1CCC(O)(c2ccc3cc[nH]c3c2)CC1 2526975 ZXYXBPUYUUKOEB-UHFFFAOYSA-N 230.311 2.081 0 40 BEAB Cc1cc(C)c2nc(NN)cc(C)c2c1 3334973 VXQHWTFBYYYFGJ-UHFFFAOYSA-N 201.273 2.446 0 40 BEAB CCC(=O)Nc1nnc(-c2ccccc2)o1 4330300 LQZXQLUKDXHUDH-UHFFFAOYSA-N 217.228 2.085 0 40 BEAB Nc1nc2cc([C@@H](O)c3ccccc3)ccc2[nH]1 5117383 IUOONJFBASBHAA-ZDUSSCGKSA-N 239.278 2.227 0 40 BEAB in-vitro C[C@@H](Sc1nc2ccccc2n1C)C(=O)O 5298041 RCBCENAMKXAULF-SSDOTTSWSA-N 236.296 2.139 0 40 BEAB O=C(NCc1cccnc1)c1cccnc1Cl 5394891 AJUXAMNFZJCGRU-UHFFFAOYSA-N 247.685 2.060 0 40 BEAB COc1ccccc1OC[C@@H]1CCCNC1 6677661 CUBQELKGTSQSIR-LLVKDONJSA-N 221.300 2.074 0 40 BEAB in-vitro Cc1noc(-c2cc3ccccc3oc2=O)n1 6816734 DUQDEHGDAGAGDK-UHFFFAOYSA-N 228.207 2.151 0 40 BEAB CCCCOCCCNC(=O)c1ccncc1 9970124 MRFIKVPINKDQHP-UHFFFAOYSA-N 236.315 2.018 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(F)c(N)c1 19259950 ZDRALVAQVOKKAX-ZETCQYMHSA-N 210.252 2.393 0 40 BEAB Nc1cc(Cl)ccc1Sc1ncn[nH]1 19845529 GUFRHRBAJCTCLJ-UHFFFAOYSA-N 226.692 2.192 0 40 BEAB Clc1ccc2nc(C3CCNCC3)oc2n1 26460132 HKBWNTGZEUZWTR-UHFFFAOYSA-N 237.690 2.343 0 40 BEAB Fc1ccccc1COC[C@@H]1CCCCN1 28521886 YWLKUPBLUWDJSY-LBPRGKRZSA-N 223.291 2.484 0 40 BEAB C[C@@H](Sc1ccccc1)C(=O)N(C)C 31850894 HHHLTBLIHKCVSI-SECBINFHSA-N 209.314 2.255 0 40 BEAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CC=CCC1 32845124 IWEHXKKMCRZEBO-ZIAGYGMSSA-N 245.322 2.193 0 40 BEAB O=C(O)CNCc1cccc2ccccc12 34959553 SJMGAVPYTBYRIZ-UHFFFAOYSA-N 215.252 2.014 0 40 BEAB Fc1ccc(OC[C@H]2CO2)cc1Cl 36459607 PHEDKFOYOQFXLN-ZETCQYMHSA-N 202.612 2.257 0 40 BEAB CCCOc1ccc([C@@H](C)NC=O)cc1 36665001 AQJAKCGUYKMZFO-SNVBAGLBSA-N 207.273 2.282 0 40 BEAB CCC(=O)N1CCC[C@H]1c1cccn1C 40473075 DZPCKDYNQGWKCN-NSHDSACASA-N 206.289 2.099 0 40 BEAB CC[C@H]1CCCN(C(=O)c2cc(C)no2)C1 40514188 AAGUGWGPZPKMLL-JTQLQIEISA-N 222.288 2.245 0 40 BEAB COC(=O)c1c(F)ccc(F)c1Cl 44199593 MUZXEGBDPWQNJE-UHFFFAOYSA-N 206.575 2.405 0 40 BEAB Cc1cc(NC(=O)c2ccnc(Cl)c2)[nH]n1 47232105 MRHPSHZACQHPQC-UHFFFAOYSA-N 236.662 2.019 0 40 BEAB CC[C@](C)(O)CNC(=O)Nc1ccc(F)cc1 58298116 ANACZSRNDFAPNT-LBPRGKRZSA-N 240.278 2.108 0 40 BEAB COCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 70245122 JHUMVLCDESMHEX-NSHDSACASA-N 247.338 2.389 0 40 BEAB COC(=O)[C@H]1C[C@@H](C(C)(C)C)CCC1=O 84199444 VIIDTQNSMYMAIY-IUCAKERBSA-N 212.289 2.191 0 40 BEAB COc1cnc(Br)c(C)c1 90411474 VRBAJWSAAQRQJO-UHFFFAOYSA-N 202.051 2.161 0 40 BEAB CCCCOc1cc(F)c(C(N)=O)c(F)c1 91252286 YRKCXWHINVIJNZ-UHFFFAOYSA-N 229.226 2.243 0 40 BEAB OC1CCN(Cc2ccnc3ccccc23)CC1 92350265 BWPOAYLIWUCCEJ-UHFFFAOYSA-N 242.322 2.192 0 40 BEAB Cc1ccnc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 95415123 HXSQRAFUYUZMIL-UTUOFQBUSA-N 233.315 2.155 0 40 BEAB COc1ccc(CNc2nc(C)no2)cc1F 96485559 CKPGXTIAXRUQAT-UHFFFAOYSA-N 237.234 2.138 0 40 BEAB C[C@H]1CC(NC[C@]2(O)CCSC2)C[C@H](C)C1 97020472 XSWZSWSBUNFPTJ-NQBHXWOUSA-N 243.416 2.269 0 40 BEAB Cc1ncccc1CN1CCCSCC1 97375232 PMEWKOXXPWOUHJ-UHFFFAOYSA-N 222.357 2.329 0 40 BEAB C[C@@H]1NC[C@@H]2C[C@@H]1CN(Cc1ccccc1)C2 103710898 JVNQIVFIOMMCFT-AEGPPILISA-N 230.355 2.116 0 40 BEAB NN[C@@H](c1ccc(F)c(F)c1)C(F)(F)F 161797983 WSZOIQWRHJUYHU-ZETCQYMHSA-N 226.148 2.032 0 40 BEAB COCOc1ccc(C=O)c(Cl)c1 224952271 MYHYGQJOUGBROS-UHFFFAOYSA-N 200.621 2.135 0 40 BEAB Cc1cc(CN2CCCC[C@@H]2c2ccn[nH]2)no1 257262725 LMOUYDLESGFTGX-CYBMUJFWSA-N 246.314 2.433 0 40 BEAB Cc1ccc(CN[C@H]2COC3(CCC3)C2)nc1C 658036768 YOVGCLYNEGDHFK-CQSZACIVSA-N 246.354 2.500 0 40 BEAB CCOC(=O)C1(c2cc(C)ccc2C)CC(=O)C1 685937467 WCZAVSWLXQOKRE-UHFFFAOYSA-N 246.306 2.467 0 40 BEAB c1cncc(-c2nnc(-c3ccco3)o2)c1 422215 LFCYAERDQCDLPE-UHFFFAOYSA-N 213.196 2.392 0 40 BEAB O=C(/C=C/c1ccco1)NCc1ccncc1 574588 APYSOLRCBAXOFF-ONEGZZNKSA-N 228.251 2.004 0 40 BEAB O=C(c1ccncc1)N1CCCCCC1 855942 KHSDQZIZRUPKHU-UHFFFAOYSA-N 204.273 2.098 0 40 BEAB NCCOC(=O)Nc1cccc2ccccc12 1675958 QEOYWAAIISBCJE-UHFFFAOYSA-N 230.267 2.347 0 40 BEAB OCc1cscc1-c1cscc1CO 1763642 OMZQNEAMPXRTHS-UHFFFAOYSA-N 226.322 2.461 0 40 BEAB CN1CCc2[nH]c3ccccc3c2CC1 2036932 WBCPONKOWIDTJM-UHFFFAOYSA-N 200.285 2.198 0 40 BEAB CCOCC(=O)Nc1cccc(Cl)c1 2069480 XOJLXANRZCJLDC-UHFFFAOYSA-N 213.664 2.315 0 40 BEAB c1cc2c3c(c1)[C@H]1CCC[C@H]1N3CCNC2 3986755 XOSKJKGKWRIMGV-DGCLKSJQSA-N 214.312 2.246 0 40 BEAB biogenic,in-vitro ClC(Cl)(Cl)c1ncnc2[nH]cnc12 4552271 PWLQDYWMGIRUQA-UHFFFAOYSA-N 237.477 2.180 0 40 BEAB OC[C@]12CC=CC[C@H]1[C@H]1CC=CC[C@@H]1O2 4896167 ABOOKWDZMHACDA-MROQNXINSA-N 206.285 2.049 0 40 BEAB Cc1cc(C)c2c(c1)OC/C2=C\C(=O)O 5266230 KFKZRZIHMQAENL-WEVVVXLNSA-N 204.225 2.164 0 40 BEAB C1CCN(CCCN2CCCCC2)CC1 5841434 AMBFNDRKYCJLNH-UHFFFAOYSA-N 210.365 2.348 0 40 BEAB c1coc(CSc2ncnc3[nH]cnc23)c1 8581308 ZJOLGXYEEPFYRM-UHFFFAOYSA-N 232.268 2.238 0 40 BEAB CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1C 11959658 WLLALGBZTDZJBW-CABZTGNLSA-N 220.316 2.307 0 40 BEAB in-vitro Fc1cccc(NC(=S)Nc2cnccn2)c1 13784770 PRBDHCQHFABIJM-UHFFFAOYSA-N 248.286 2.425 0 40 BEAB NC(=O)c1cccc(NC(=O)C[C@H]2C=CCC2)c1 14019821 PZNOGNLVAKKPDS-JTQLQIEISA-N 244.294 2.080 0 40 BEAB CN(Cc1ccccc1)c1ccc(N)cn1 19401680 UNGGFHOYAUJICW-UHFFFAOYSA-N 213.284 2.300 0 40 BEAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cccc(F)c1 19575142 GETWVEJSRHTUMV-DOMZBBRYSA-N 248.345 2.494 0 40 BEAB Cc1cc(C(F)(F)F)nc([C@H]2CCCNC2)n1 19686168 VTNABKZXZNNMOK-QMMMGPOBSA-N 245.248 2.271 0 40 BEAB Cc1ccccc1N1C(=O)c2ccncc2C1=O 22073219 NSHQQUSILNLYIT-UHFFFAOYSA-N 238.246 2.191 0 40 BEAB O=Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12 22864263 NRBQMAUMXAXLGU-UHFFFAOYSA-N 223.615 2.332 0 40 BEAB CCn1nccc1CN(C)C(=O)c1ccoc1C 28219038 QUTDIKDNBHRDPC-UHFFFAOYSA-N 247.298 2.077 0 40 BEAB CC1CCC(N(C)C(=O)c2cnn(C)c2)CC1 32845411 OEFYISWUMGSSCT-UHFFFAOYSA-N 235.331 2.071 0 40 BEAB CC(C)CNC(=O)NCc1ccccc1F 32862710 XGLFNCRWIIHOMY-UHFFFAOYSA-N 224.279 2.281 0 40 BEAB COc1cc(OC)c(CCC(=O)O)cc1Cl 36181511 JETCIEDWNXUZMA-UHFFFAOYSA-N 244.674 2.374 0 40 BEAB CC(C)(C)CNCc1ccc(CO)cc1 40544177 XRCHYYOZGGSWCA-UHFFFAOYSA-N 207.317 2.315 0 40 BEAB C[C@@H]1CNCCN1Cc1ccc(Cl)cc1 41245327 HBRBKPUWPAQEHC-SNVBAGLBSA-N 224.735 2.134 0 40 BEAB COc1cccc(-c2cc(C(=O)O)ccn2)c1 41250955 CVHWXPCBLBMQDT-UHFFFAOYSA-N 229.235 2.455 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cn1 41976384 GVEKZARXBWZEQZ-NSHDSACASA-N 241.294 2.276 0 40 BEAB Clc1ccccc1COC[C@@H]1CCNC1 42771813 MPCVHHBWFYFXHE-SNVBAGLBSA-N 225.719 2.466 0 40 BEAB C[C@H](CC(=O)O)CC(=O)c1cccc(N(C)C)c1 43214229 YEQOPPGGLLRRNR-JTQLQIEISA-N 249.310 2.436 0 40 BEAB C[C@H](NC(=O)c1cnns1)c1ccccc1 47409723 RBZILIKTJFWPFE-QMMMGPOBSA-N 233.296 2.029 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccn1 47824100 WZYVDHDGBNQEQH-NEPJUHHUSA-N 248.326 2.155 0 40 BEAB Cc1ccc(CC(=O)N2CCSCC2)cc1 49214211 UUQVPLOOTWDDNJ-UHFFFAOYSA-N 235.352 2.113 0 40 BEAB C[C@@H](NCC(C)(C)O)c1ccc(F)cc1 49506083 MKIXJHMNUABXNU-SECBINFHSA-N 211.280 2.247 0 40 BEAB CN[C@H](CN)c1cc(Cl)cc(Cl)c1 50269995 IATAHNRFLYIWSF-SECBINFHSA-N 219.115 2.213 0 40 BEAB CCc1ccc(OCc2ncc(C=O)cn2)cc1 57328460 HOKDHOWAFNFTLG-UHFFFAOYSA-N 242.278 2.431 0 40 BEAB CN(C)C(=O)Nc1nnc(-c2ccccc2)s1 59475057 BPXDYRPJIVZVMM-UHFFFAOYSA-N 248.311 2.299 0 40 BEAB Nc1c(-c2ccc(F)cc2)nc2ncccn12 61957799 ZYFLPSDJBVAMNC-UHFFFAOYSA-N 228.230 2.118 0 40 BEAB CCC(=O)Nc1ccc2sc(N)nc2c1 62716736 OKMSCGHCALSVRP-UHFFFAOYSA-N 221.285 2.227 0 40 BEAB Fc1c(Br)cccc1OC[C@H]1CO1 66309359 ALUKSHASDNTFSH-ZCFIWIBFSA-N 247.063 2.366 0 40 BEAB CCCc1nc(-n2cccc2)sc1C(=O)NC 67245691 NRPCWGKTIKJJQS-UHFFFAOYSA-N 249.339 2.246 0 40 BEAB Cn1c(CN[C@@H]2CCSC2)nc2ccccc21 72727395 WURXHYVHXJSJHQ-SNVBAGLBSA-N 247.367 2.168 0 40 BEAB O=C(c1cnc2ccccc2c1)N1CCCC1 74715289 NVTZZZUUAQBZND-UHFFFAOYSA-N 226.279 2.471 0 40 BEAB COC[C@@H](C)NC(=O)N(CC(C)C)CC(C)C 84511026 WGMQDJMDXLVTQT-GFCCVEGCSA-N 244.379 2.345 0 40 BEAB Nc1ccc(-c2nnc([C@H]3CCCO3)o2)cc1 85386036 YSWGWFFWXVBSEJ-SNVBAGLBSA-N 231.255 2.170 0 40 BEAB CCOC(=O)NCc1nc(-c2ccccc2)c[nH]1 85557866 LARSDYQCLLOKLK-UHFFFAOYSA-N 245.282 2.323 0 40 BEAB C[C@@H](C[C@H](O)c1ccco1)NCc1cccn1C 95448841 IYEFJRIFQICJPC-AAEUAGOBSA-N 248.326 2.220 0 40 BEAB NCc1cc(Cl)c(C(F)(F)F)cn1 95768293 NBBBYSBVLKZKQK-UHFFFAOYSA-N 210.586 2.213 0 40 BEAB C[C@H](NCCCOc1ccccc1)[C@H]1CCOC1 95967192 AHNOHUDEUREWOF-KBPBESRZSA-N 249.354 2.470 0 40 BEAB COc1cc(Cn2ccnn2)ccc1SC 128031338 LSMOOAXOHFDBST-UHFFFAOYSA-N 235.312 2.057 0 40 BEAB O=C1CN(c2ccccc2)CN1c1ccccc1 140938818 FCHPFRPKJUILRG-UHFFFAOYSA-N 238.290 2.497 0 40 BEAB c1ccc(-c2cn(C[C@@H]3CCCO3)nn2)cc1 200170645 KOWDYTGRIXBBRB-LBPRGKRZSA-N 229.283 2.124 0 40 BEAB OC[C@@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218700121 CZENZKXMJJJJSR-WDEREUQCSA-N 214.211 2.177 0 40 BEAB Cc1nc2ccccc2n1-c1ncc(F)cn1 228134991 UYRQVXQTMHEDNB-UHFFFAOYSA-N 228.230 2.263 0 40 BEAB CCCn1nc(C)cc1CNc1cnn(CC)c1 256053809 SYURGFGTFXLAIV-UHFFFAOYSA-N 247.346 2.430 0 40 BEAB CC(C)CCNCc1ccn(CC(F)F)n1 256054415 WEERXLZCPXTACQ-UHFFFAOYSA-N 231.290 2.284 0 40 BEAB c1cnc([C@@H]2CCCN2Cc2nccs2)cn1 257256619 KMFWBFGRUBBNSM-NSHDSACASA-N 246.339 2.270 0 40 BEAB CC(C)CC1=NO[C@@](O)(C(F)(F)F)C1 547233 DNFRNBVJXASVNP-SSDOTTSWSA-N 211.183 2.060 0 40 BEAB c1ccc([C@H](NC2=NCCO2)C2CC2)cc1 1639245 RSESMLXPRYZMST-LBPRGKRZSA-N 216.284 2.114 0 40 BEAB N[C@@]1(C(=O)O)CCCC[C@H]1c1ccccc1 1702668 QAKNRGSEJPUFDI-AAEUAGOBSA-N 219.284 2.126 0 40 BEAB CCN(CC)C(=S)N1CCCCC1 1737646 KSFMTNWDMJNIKE-UHFFFAOYSA-N 200.351 2.099 0 40 BEAB O=C1/C(=C\c2ccccc2)N=C2CCCN12 3394435 KJHCFZJJOJRFFS-PKNBQFBNSA-N 212.252 2.062 0 40 BEAB Cc1ccsc1CN1CCCC[C@H]1C(=O)O 3755737 ANXDNQWMFVVFPN-JTQLQIEISA-N 239.340 2.496 0 40 BEAB C[C@@H](O)c1ccc(I)cc1 12506403 KWUDBZIJCVKUHM-ZCFIWIBFSA-N 248.063 2.345 0 40 BEAB COc1cccc2[nH]cc(CCCN)c12 20269192 HSCHCDFMUJTIQB-UHFFFAOYSA-N 204.273 2.068 0 40 BEAB CCn1cc(CNCc2cccc(F)c2)cn1 20349190 CZAGZCJWFIZXGZ-UHFFFAOYSA-N 233.290 2.332 0 40 BEAB CC(C)Cc1noc([C@H]2CCCCN2)n1 21520774 OXTMARDYVKTESR-SECBINFHSA-N 209.293 2.083 0 40 BEAB COc1ccc(C)cc1-c1[nH]ncc1C=O 26514386 HFLWLAOCUDIRCY-UHFFFAOYSA-N 216.240 2.206 0 40 BEAB O=C(NC[C@H]1CCCO1)c1ccc2cc[nH]c2c1 32478317 WCAFAPVWSSJYFY-GFCCVEGCSA-N 244.294 2.077 0 40 BEAB CCCNC(=S)N(CC)Cc1ccncc1 35585814 BRNQWPUMRFCYRS-UHFFFAOYSA-N 237.372 2.188 0 40 BEAB CC1=C(c2ccc(F)cc2F)COC1=O 36459850 GDETYLUKAQDQDT-UHFFFAOYSA-N 210.179 2.295 0 40 BEAB in-vitro C[C@H](Cn1nccc1N)c1ccccc1 39320451 UYYWMNXMONVGIJ-SNVBAGLBSA-N 201.273 2.269 0 40 BEAB COC(=O)c1occc1CN1CCC[C@@H](C)C1 40475774 INARRJMCCIMNDN-SNVBAGLBSA-N 237.299 2.298 0 40 BEAB COc1ccc(OC(F)(F)F)cc1CCN 44249048 MCMDACADFWCKOB-UHFFFAOYSA-N 235.205 2.095 0 40 BEAB CC(C)CCn1nccc1NC(=O)NC(C)C 47466426 SJCJGBXSCQFBJF-UHFFFAOYSA-N 238.335 2.459 0 40 BEAB O=C(Nc1cc(-c2cccs2)n[nH]1)C1CC1 48751035 WZRBUPCDHMIGEN-UHFFFAOYSA-N 233.296 2.487 0 40 BEAB O=C(NCc1cccs1)Nc1ccccn1 49027242 JIGWQNHZECKUNI-UHFFFAOYSA-N 233.296 2.465 0 40 BEAB NC(=O)[C@@H](NCc1ccsc1)c1ccccc1 56153659 AEPDAALTVRSKHS-LBPRGKRZSA-N 246.335 2.064 0 40 BEAB CCNC(=O)N[C@H]1C[C@H]1c1ccc(C)c(C)c1 58163633 PQLSWSQCWAVIJX-STQMWFEESA-N 232.327 2.478 0 40 BEAB CN(Cc1ccsc1)C(=O)C1CCOCC1 61084597 RWGCNRITABVLIH-UHFFFAOYSA-N 239.340 2.133 0 40 BEAB C[C@@H]1C(=O)CCCN1Cc1ccccc1 68592824 WYHHURGFXKJVKA-LLVKDONJSA-N 203.285 2.240 0 40 BEAB in-vitro COCC(=O)Nc1cc(Cl)ccc1F 70225212 KEDQWRKWGAJFJA-UHFFFAOYSA-N 217.627 2.064 0 40 BEAB COCC(=O)Nc1ccc(C(F)(F)F)cc1 70247848 SIJPCBHRNVCOLZ-UHFFFAOYSA-N 233.189 2.290 0 40 BEAB c1cc2cc(CC3CCNCC3)cnc2[nH]1 72387232 ARNAFBMGFKDINB-UHFFFAOYSA-N 215.300 2.105 0 40 BEAB CC(C)(N)c1cccc(C(F)(F)F)n1 76914405 SHWJCFHMVIPNER-UHFFFAOYSA-N 204.195 2.294 0 40 BEAB Cc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)oc1C 89606840 GHFILLIQJLFBQR-CQSZACIVSA-N 249.310 2.149 0 40 BEAB CCOC(=O)c1ccc2ccn(C)c2c1 95936071 DONAUJDYIXJJJF-UHFFFAOYSA-N 203.241 2.355 0 40 BEAB O=C(O[C@@H]1CCSC1)c1ccc2cc[nH]c2n1 96013415 ASVBEJPSGWVGAI-SECBINFHSA-N 248.307 2.225 0 40 BEAB C1CCC(N2CC[C@H]3CC[C@@H](C2)N3)CC1 96058568 CTMRLVAOXBORFK-NEPJUHHUSA-N 208.349 2.145 0 40 BEAB CN(C)C(=O)c1cnc(-c2ccoc2)s1 96416881 WNMNSUKVVDTLLB-UHFFFAOYSA-N 222.269 2.105 0 40 BEAB COC(=O)c1sc(OC)cc1OC(F)F 96510869 AYOSALYGLJVBSS-UHFFFAOYSA-N 238.211 2.145 0 40 BEAB CCOC(=O)c1cccnc1C(F)F 96529411 UABUTERAQIWNCO-UHFFFAOYSA-N 201.172 2.196 0 40 BEAB CCc1noc(C)c1[C@@H](C)N1CCC(O)CC1 97165325 URIHQTGBPIZAQI-SECBINFHSA-N 238.331 2.063 0 40 BEAB CC(C)(C)OC(=O)N1O[C@H]2C=C[C@H]1CC2 100073483 KWICUYZLFNKYIA-IUCAKERBSA-N 211.261 2.256 0 40 BEAB COc1ccc2c(c1)NCC21CCOCC1 107253371 SBDJPXHTITZCQH-UHFFFAOYSA-N 219.284 2.169 0 40 BEAB Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H](C)N)c1 157437195 GQYGDSBYCKWBAW-TZMCWYRMSA-N 246.354 2.314 0 40 BEAB CCOC(=O)C1CCC(O)(C(F)(F)F)CC1 260499022 NNBCWOPFTICYEF-UHFFFAOYSA-N 240.221 2.033 0 40 BEAB CC(C)(C)[C@@H]1CCc2[nH]nc(C=O)c2C1 575414983 DKVVIKLULPSIIF-MRVPVSSYSA-N 206.289 2.373 0 40 BEAB C[C@H](N)c1nc([C@@H]2CCCSCC2)no1 575415021 JKBMUVKUIXMOCV-JGVFFNPUSA-N 227.333 2.090 0 40 BEAB O=C(O)[C@@H]1CCCC[C@@H]1OC(F)(F)F 953109292 XOGSAPASFNJFLA-RITPCOANSA-N 212.167 2.166 0 40 BEAB FC1(F)CCN(c2cc3c(nn2)CCC3)CC1 1889057270 FSRJBYCBKKGUAT-UHFFFAOYSA-N 239.269 2.201 0 40 BEAB CC[C@H](Nc1ncnc2ccc(C)cc12)C(=O)O 122954 PFDYUSVIMPBSPD-JTQLQIEISA-N 245.282 2.213 0 40 BEAB CC[C@@H](CO)NC(=S)Nc1ccccc1C 141836 IBZQFPVECCBLOJ-JTQLQIEISA-N 238.356 2.052 0 40 BEAB CC(=O)O[C@H]1CCC[C@H](OCC(C)C)O1 1677132 ZKOSHQJCKQMIQJ-GHMZBOCLSA-N 216.277 2.075 0 40 BEAB OC[C@H](c1ccccc1)[C@@H](O)Cc1ccccc1 1703745 HVZQCETZYHCKCP-CVEARBPZSA-N 242.318 2.366 0 40 BEAB CCCNC(=O)c1cc(-c2ccco2)on1 2602344 PQPQPLLRIIZLAW-UHFFFAOYSA-N 220.228 2.074 0 40 BEAB COCCNC(=O)c1cccc2ccccc12 3093799 XZNJITJEXHWDII-UHFFFAOYSA-N 229.279 2.216 0 40 BEAB O=C(C1=NNC[C@@H]1c1ccco1)c1ccccc1 4384572 PKUDCNRUOOYXAT-LLVKDONJSA-N 240.262 2.205 0 40 BEAB O=C(c1cccnc1)N1CCCCCCC1 5864339 WGALFFGFKVLJLN-UHFFFAOYSA-N 218.300 2.488 0 40 BEAB CSC1=N/C(=C\C=C\c2ccccc2)C(=O)N1 6850225 DSJWKTODCOCNPH-PAUBHIBZSA-N 244.319 2.433 0 40 BEAB CC[C@@]1(C)NC(=N)Nc2nc3ccccc3n21 8627323 MYLMXQMQEPKGGQ-LBPRGKRZSA-N 229.287 2.069 0 40 BEAB CCNCc1cc2cc(OC)ccc2nc1O 9185556 QQVLRNHGDJDGMS-UHFFFAOYSA-N 232.283 2.059 0 40 BEAB Cc1ccc(-c2n[nH]cc2C(=O)O)cc1C 9189807 DMJSSAZRUSZYJC-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB NCc1ccc(-n2cnc3ccccc32)cc1 11757265 HTWPOADKXAJNEF-UHFFFAOYSA-N 223.279 2.484 0 40 BEAB in-vitro Cc1n[nH]c(=O)n1-c1ccc(C(C)(C)C)cc1 13597178 CYLLDWQGYSJIGX-UHFFFAOYSA-N 231.299 2.167 0 40 BEAB O=C(O)[C@H]1CCCN(c2ncccc2Cl)C1 19392978 SNIJJDOFXHTRLC-QMMMGPOBSA-N 240.690 2.036 0 40 BEAB in-vitro CC(C)CC[C@@H](C)NC(=O)/C=C/c1cnn(C)c1 23258624 ZMGJIVISUSCTHE-ABZNLYFFSA-N 249.358 2.374 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@H]2C(C)=O)c1 34972952 DNDDIBPBVGGZAD-STQMWFEESA-N 220.268 2.396 0 40 BEAB Cc1cc(C(=O)CSc2nccn2C)c(C)[nH]1 35054776 KGHORPHINIXSKT-UHFFFAOYSA-N 249.339 2.340 0 40 BEAB C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 36076062 NFGHWLFVSIENOG-SECBINFHSA-N 239.702 2.201 0 40 BEAB CCN(Cc1ccc(C(=O)O)cc1)C1CC1 37080205 GZUTWXBQFCNNIN-UHFFFAOYSA-N 219.284 2.369 0 40 BEAB in-vitro CNCc1ccc(OCC(F)F)cc1 37755459 RQEAIKVQBAEIAN-UHFFFAOYSA-N 201.216 2.050 0 40 BEAB COC(=O)N/C=C/c1ccc(OC)cc1 38338046 MBBNYQFXQFWHIN-BQYQJAHWSA-N 207.229 2.022 0 40 BEAB FC(F)(F)c1ccccc1OC1CNC1 39299078 UMRYPVYCXBBOJV-UHFFFAOYSA-N 217.190 2.056 0 40 BEAB Cc1cccc(CSCC(=O)N(C)C)c1 40459567 YQAZOPOFTNEHEL-UHFFFAOYSA-N 223.341 2.316 0 40 BEAB O=C(OC1CCCC1)c1ccc(O)cc1 41580669 ABBAWHKKORANOZ-UHFFFAOYSA-N 206.241 2.492 0 40 BEAB CC(C)COCCC(=O)N1CCC(C)CC1 42882875 KMLUNLUETXNMDG-UHFFFAOYSA-N 227.348 2.308 0 40 BEAB CC[C@H](C)C(=O)NCCc1cccc(OC)c1 48300503 KWZDHDMWJKZDAC-NSHDSACASA-N 235.327 2.400 0 40 BEAB CN[C@H]1CCCN(Cc2ccccc2C)C1 53201458 GXRWMVQGGSPFGP-AWEZNQCLSA-N 218.344 2.179 0 40 BEAB CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 58210485 RNAROLDWUKTJRO-JSGCOSHPSA-N 246.354 2.348 0 40 BEAB COC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 58316185 BWXWKPUOCPJFPR-NSHDSACASA-N 247.338 2.330 0 40 BEAB CC(C)C1C(=O)OC2(CCCCC2)OC1=O 59488095 XRZAWMAPASPTMP-UHFFFAOYSA-N 226.272 2.019 0 40 BEAB Brc1ccccc1-c1ncno1 68590690 LQWHRLJFQJMTHK-UHFFFAOYSA-N 225.045 2.499 0 40 BEAB CC(C)(C)OC(=O)N[C@@H](C(=N)N)c1ccccc1 70660027 XOBDJBBOCPISBS-SNVBAGLBSA-N 249.314 2.188 0 40 BEAB c1csc(SCc2nnnn2C2CC2)c1 71910003 QBUNUSFEVSONSL-UHFFFAOYSA-N 238.341 2.362 0 40 BEAB O=C1Nc2ccccc2OC12CCCC2 74536707 OFCMGUBYJRDPAE-UHFFFAOYSA-N 203.241 2.330 0 40 BEAB Oc1c(Br)cnc2ncccc12 75260720 XRCADRJXXVIKLG-UHFFFAOYSA-N 225.045 2.098 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CF 82163023 IHHSXCLECNNDPN-HTQZYQBOSA-N 203.257 2.259 0 40 BEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC1CCCC1 82943795 RWWDZVSKPHKNHH-UTUOFQBUSA-N 209.333 2.332 0 40 BEAB CN(C)Cc1ccc(N)cc1C(F)(F)F 84193616 YXLLDVNFADYJEI-UHFFFAOYSA-N 218.222 2.349 0 40 BEAB OCc1cc(F)c(C(F)(F)F)c(F)c1 95704717 VRTWXMZDVDWKQB-UHFFFAOYSA-N 212.117 2.476 0 40 BEAB Cc1ccsc1[C@@H](O)c1cccn1C 95727702 RNAYOFYTOUZMMH-JTQLQIEISA-N 207.298 2.477 0 40 BEAB Cn1nccc1NC(=O)N1CCCCCCC1 95942246 ZEYPABIJPHYRJB-UHFFFAOYSA-N 236.319 2.218 0 40 BEAB Cc1nccn1CCCC(=O)N[C@@H]1CC=CCC1 96412783 BZJWYYOPZRADOH-CYBMUJFWSA-N 247.342 2.197 0 40 BEAB CCCCCC(=O)NOCc1cc(C)on1 96412927 PISQRPLVTOLIAP-UHFFFAOYSA-N 226.276 2.111 0 40 BEAB COCCn1c(C=O)cc(Br)c1C 225300048 BRBUMFLHQUXMSQ-UHFFFAOYSA-N 246.104 2.018 0 40 BEAB CC[C@H](C)n1c(CO)ccc1CCOC 226030428 ARPOFWWRELWUEE-JTQLQIEISA-N 211.305 2.140 0 40 BEAB Cc1cccc(C)c1-c1nnc(S)n1C 228845384 QIMFULUGORURAA-UHFFFAOYSA-N 219.313 2.388 0 40 BEAB CN(c1cc(C(F)(F)F)ccn1)[C@H]1CC[C@@H]1O 585298017 NTPJQBNFAUGXIT-IUCAKERBSA-N 246.232 2.060 0 40 BEAB CCCCCc1oc(=O)cc(OC)c1C(=O)O 2332242390 LZBVYZZPBMWYOF-UHFFFAOYSA-N 240.255 2.079 0 40 BEAB Cc1cccc(C(=O)OC[C@@H]2CCCO2)c1 2046433 BOVDTHGPHGMHAT-LBPRGKRZSA-N 220.268 2.331 0 40 BEAB COc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)O 2574428 MEKBVCIQBYRCMJ-NXEZZACHSA-N 248.278 2.379 0 40 BEAB C[C@H](O)c1ccc(-c2ccc(CO)o2)cc1 2637896 RCVJOGSDFQAHAG-VIFPVBQESA-N 218.252 2.492 0 40 BEAB Cn1ccc(-c2nc(-c3ccc(F)cc3)no2)n1 2730842 SRFAZLNYPZYTTD-UHFFFAOYSA-N 244.229 2.276 0 40 BEAB Cc1cc(C)c2[nH]c3c(c2c1)CCNC3=O 3161555 HCOFGTFWZYJAAN-UHFFFAOYSA-N 214.268 2.071 0 40 BEAB Cc1cccc(NC(=O)NCC2(C)COC2)c1 13331618 PQXIZHOEMHTAOT-UHFFFAOYSA-N 234.299 2.153 0 40 BEAB CC(C)NC(=O)Nc1ccnc(Cl)c1 14983332 IKOOJCAAVHUJIV-UHFFFAOYSA-N 213.668 2.265 0 40 BEAB O=C(O)[C@@H](c1ccccc1F)N1CCCCC1 16771223 JWEVOPISFCSQTI-GFCCVEGCSA-N 237.274 2.437 0 40 BEAB Clc1ccc(OC[C@@H]2CCCCO2)nn1 19414692 SDCMVAAMYBGXJT-QMMMGPOBSA-N 228.679 2.078 0 40 BEAB CCN(C[C@@H]1CCCN1)C1CCCCC1 20073341 KYSMEIDAADLRAM-LBPRGKRZSA-N 210.365 2.393 0 40 BEAB N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 20261195 XURCCJOGZFFRKU-STQMWFEESA-N 213.284 2.070 0 40 BEAB in-vitro OC1=Nc2n[nH]cc2[C@H](c2cccc(O)c2)C1 20745110 ALGCCRDGAJBDGY-VIFPVBQESA-N 229.239 2.239 0 40 BEAB CC(C)CCC(=O)N[C@H]1CCCc2c1cnn2C 24988322 VSZTYVKOVWAZEX-LBPRGKRZSA-N 249.358 2.350 0 40 BEAB CC[C@@H]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1 31681032 XMNTWIUGQZPVQG-LLVKDONJSA-N 248.326 2.480 0 40 BEAB Cc1ncc(CNC(=O)c2ccoc2C)s1 32611470 TYBWTFYOOISPHM-UHFFFAOYSA-N 236.296 2.283 0 40 BEAB Cc1ccc(SCC(=O)Nc2cn[nH]c2)cc1 35237382 NVCOGGXBFYOBFV-UHFFFAOYSA-N 247.323 2.449 0 40 BEAB CC(C)[C@@H](N)C(=O)Nc1cnc2ccccc2c1 37020268 YNNMTRPCFHUWPB-CYBMUJFWSA-N 243.310 2.157 0 40 BEAB CN(CCN)Cc1c(Cl)cccc1Cl 37267938 LRRGLKZDPUVKIX-UHFFFAOYSA-N 233.142 2.384 0 40 BEAB CCOC(=O)c1nc2c(s1)NCCCC2 38342160 ODLVDOFEZSYSGR-UHFFFAOYSA-N 226.301 2.068 0 40 BEAB in-vitro Cc1cc(C(=O)O)c2c(-c3ccco3)noc2n1 38342480 SFGVTCSTRANNCY-UHFFFAOYSA-N 244.206 2.489 0 40 BEAB Brc1snc2ncccc12 39711853 PRXQXZJDIYHKFE-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB COc1ncccc1C(=O)c1cccs1 43210665 LAEUNQSEPMMGIM-UHFFFAOYSA-N 219.265 2.383 0 40 BEAB Cc1ccc(CN(C)[C@H]2CCCNC2)cc1 43501380 PNBAOBFIECCROI-AWEZNQCLSA-N 218.344 2.179 0 40 BEAB NC1CCC(Sc2ccccn2)CC1 55143733 UFOAZNFJQWWQTB-UHFFFAOYSA-N 208.330 2.444 0 40 BEAB COc1ccc([C@@H]2CCCN2C)c(C)n1 72218061 NIGJOFKDRUVRBO-NSHDSACASA-N 206.289 2.165 0 40 BEAB COC[C@H](C)Oc1ccc(-c2nnco2)cc1 72311191 ILWOHNPMXYAJIO-VIFPVBQESA-N 234.255 2.150 0 40 BEAB O=C(O)C1(c2csc(-c3cccnc3)n2)CC1 75815901 JYXVTERVHYVAPR-UHFFFAOYSA-N 246.291 2.321 0 40 BEAB c1ccc(CN2CCCC[C@@]23CCNC3)cc1 82346508 CTORQCPIHLPTDH-HNNXBMFYSA-N 230.355 2.405 0 40 BEAB O=C(Nc1ccc(O)cc1F)c1ccc[nH]1 82879372 VMQSPANBILARJI-UHFFFAOYSA-N 220.203 2.112 0 40 BEAB Cc1c(N)cc(Br)cc1C(=O)O 83688775 DRRWNGNIDJCWRV-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB CCCCCCN1CCCC[C@H]1C(=O)NC 84743102 IHLDIWIERKOQSV-LBPRGKRZSA-N 226.364 2.167 0 40 BEAB Cc1cc(F)cc(NCc2cncn2C)c1 85729888 PSEHBNDHCALYDQ-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB CCCN(CC(=O)O)C(=O)CC1=CCCCC1 95948891 GISLGSHLLXMCEM-UHFFFAOYSA-N 239.315 2.200 0 40 BEAB COCC[C@@H](C)Nc1cccc(-c2nc[nH]n2)c1 95991625 SMROHHNZPAHZMV-SNVBAGLBSA-N 246.314 2.309 0 40 BEAB C[C@H]1CC[C@@H](NCCO)c2ccccc21 96033280 WISRJPYWVVFHGZ-GXFFZTMASA-N 205.301 2.207 0 40 BEAB OC1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2o1 96034672 VKNDCYOANVAVDK-ZACCUICWSA-N 244.294 2.320 0 40 BEAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC 96430551 JQMZCEGGYKZIQL-DCAQKATOSA-N 213.321 2.106 0 40 BEAB O=C1CCC(=O)C1=NNc1ccc(Cl)cc1 109708036 CQMMRLFOTIHPAW-UHFFFAOYSA-N 236.658 2.040 0 40 BEAB COc1ccc([C@@H](CN)N2CCC[C@@H](C)C2)cc1 216076767 JQNIKZXOVAYJTM-IUODEOHRSA-N 248.370 2.427 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1CCOC[C@H]1CCCO1 245287335 BZKFNNNEUOGECC-MGPQQGTHSA-N 241.375 2.445 0 40 BEAB c1cc(C[C@@H]2CNCCOC2)c2ccncc2c1 257197761 IPOHPWMXJFTXBR-GFCCVEGCSA-N 242.322 2.013 0 40 BEAB C[C@H](F)[C@@H]1CN(Cc2ccccc2)CCO1 261506718 AILCJMUBAAZTJT-AAEUAGOBSA-N 223.291 2.245 0 40 BEAB C[C@]1(O)CCC[C@H]1NCc1ccccc1 306454974 ZVEQSCRTRZHYTD-OLZOCXBDSA-N 205.301 2.080 0 40 BEAB C[C@@H]1[C@H](O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 575447691 GRGUTZRHELOISE-BREBYQMCSA-N 241.331 2.014 0 40 BEAB CC=C1C[C@@H]2CC[C@H](C1)N2Cc1cncn1C 1775995535 FGSBZITWXGVHSG-BETUJISGSA-N 231.343 2.493 0 40 BEAB COc1cnc(N2CCc3sccc3C2)nc1 1889089326 REVHYOMJZDRVRL-UHFFFAOYSA-N 247.323 2.109 0 40 BEAB CCc1ncc([C@H](O)c2ccc(C)cc2)n1C 170130 RLZMGGXEJXZNNS-CQSZACIVSA-N 230.311 2.373 0 40 BEAB Cc1cccnc1NC(=O)COc1ccccc1 341649 YAHIWBKKIYMQKO-UHFFFAOYSA-N 242.278 2.408 0 40 BEAB CC(=O)Nc1sc(N)nc1-c1cccs1 351778 FRBSZMIINJLVAW-UHFFFAOYSA-N 239.325 2.412 0 40 BEAB CCCCCC[C@H](C)OC(=O)[C@@H](C)O 1591822 QOJLBDMAKOJFNZ-VHSXEESVSA-N 202.294 2.269 0 40 BEAB CCNC(=O)COc1ccc(Cl)cc1C 1685210 NECQTDIQDOSFOG-UHFFFAOYSA-N 227.691 2.163 0 40 BEAB CCOP(=O)(OCC)C(=O)C1CC1 1730507 IOSOXYZYSATVMG-UHFFFAOYSA-N 206.178 2.189 0 40 BEAB O=c1nc(Cl)sn1Cc1ccccc1 3844539 XHMVWNWGZNIFIX-UHFFFAOYSA-N 226.688 2.007 0 40 BEAB biogenic O=C(O)[C@@]1(C/C=C/c2ccccc2)CCCN1 4241180 DLUNFQZLCPXMBC-YOIVXCQUSA-N 231.295 2.297 0 40 BEAB Nc1ccc2nc(-c3ccccn3)[nH]c2c1 13122930 ITFXYBZUPPBWEC-UHFFFAOYSA-N 210.240 2.207 0 40 BEAB in-vivo CC1CCC2(CC1)NC(=S)N(C(C)(C)C)N2 13635800 MHKQKTXCWUPKMU-UHFFFAOYSA-N 241.404 2.386 0 40 BEAB CCCN(CCC)C(=O)[C@H](N)Cc1ccccc1 19427808 ONMIUVAYPOZJQT-CQSZACIVSA-N 248.370 2.205 0 40 BEAB O=C(O)c1ccn(-c2ccc(Cl)cc2)n1 26514886 DMRHUSUJIBVOKA-UHFFFAOYSA-N 222.631 2.224 0 40 BEAB in-vitro O=C(O)c1cnc2c(F)ccc(Cl)c2c1O 35731165 BRHCWUJJVACYJF-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB O=C(O)[C@H]1O[C@@H]1c1ccc(C(F)(F)F)cc1 38589542 ZDLLJVUVFZWVIE-SFYZADRCSA-N 232.157 2.230 0 40 BEAB CCONC(=O)c1cccnc1SC(F)F 40476689 DJLPIHWQBHYIKQ-UHFFFAOYSA-N 248.254 2.078 0 40 BEAB Cc1n[nH]c(C)c1CNC(=O)c1ccccc1F 41566981 OCROSGZERFDEPE-UHFFFAOYSA-N 247.273 2.096 0 40 BEAB Brc1cc(O[C@H]2CCOC2)ccn1 44118721 CBAWETFXXRONTI-QMMMGPOBSA-N 244.088 2.012 0 40 BEAB O=CO[C@H]1C[C@H]2CC(Br)=C[C@@H]1C2 45028168 BKXXZONWDXIKFB-FJXKBIBVSA-N 231.089 2.237 0 40 BEAB CCOc1ccc([C@@H]2CCC(=O)O2)cc1 49813415 IAHFNRGDXBBKDQ-NSHDSACASA-N 206.241 2.463 0 40 BEAB C[C@](CO)(NCC(F)(F)F)C1CCCCC1 71916315 GRSQSJYUSFJGHP-SNVBAGLBSA-N 239.281 2.470 0 40 BEAB CCOC(=O)CC1(NC2CC2)CCCC1 72210235 QCJMNWRRDWOLNQ-UHFFFAOYSA-N 211.305 2.004 0 40 BEAB Cc1cc(O)nc([C@@H]2CCCN(C(C)C)C2)n1 72348456 FCNWSZJQZWTJKE-LLVKDONJSA-N 235.331 2.078 0 40 BEAB N[C@H]1CCCC[C@@H]1NCc1cccc(F)c1 72411156 RZBAYURBQUDRQO-STQMWFEESA-N 222.307 2.185 0 40 BEAB CN(CC(N)=O)c1ccc(-c2ccccc2)cc1 75915923 FBDNQVRPPKMORQ-UHFFFAOYSA-N 240.306 2.275 0 40 BEAB COc1c(Br)cc(C)cc1CO 83229804 XQCMRYHUKQITGJ-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB Cc1ccc([C@H]2CCCN2C(=O)CCN)cc1C 83906048 YLTBQWARLAOBDR-CQSZACIVSA-N 246.354 2.316 0 40 BEAB C[C@@H](CCO)NC(=O)CCC1CCCCC1 84637372 UJGRJPFIKSNSCI-NSHDSACASA-N 227.348 2.234 0 40 BEAB C1=CCN(c2cccc(N3CC=CCO3)c2)OC1 85367484 AEDAZYDSALCGOC-UHFFFAOYSA-N 244.294 2.302 0 40 BEAB O=C(NCC[C@H](O)c1ccccc1)C1CCC1 85436418 IEHNHROWKAKSTR-ZDUSSCGKSA-N 233.311 2.026 0 40 BEAB Fc1ccc(OCCC2OCCCO2)c(F)c1 89064039 OKRNDTJJENBRIV-UHFFFAOYSA-N 244.237 2.497 0 40 BEAB CC(C)[C@H](C)SCC(=O)NC1CCOCC1 95403421 OHTORKHJMNGYBX-JTQLQIEISA-N 245.388 2.059 0 40 BEAB Cc1csc(NC(=O)c2cncc(F)c2)n1 122423403 BBIZIJAFTLABLS-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB CC[C@@H](NN)c1cc(F)c(F)c(F)c1 161807574 JDCNPWIMCWXCTG-MRVPVSSYSA-N 204.195 2.018 0 40 BEAB O=C(c1cc2ccccn2c1)N1CCCCO1 189638334 WCNBJCAGTAFEDC-UHFFFAOYSA-N 230.267 2.107 0 40 BEAB Cc1cc2c(F)ccc(C)c2nc1N(C)N 199546256 DNOXQVNINPXOMD-UHFFFAOYSA-N 219.263 2.301 0 40 BEAB CC(=O)c1ccc([C@H]2CCNC(=O)C2)cc1C 199776833 PLIJKZIEHZOIMT-LBPRGKRZSA-N 231.295 2.191 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CN 216553698 UCDITJRJTQLEDR-LBPRGKRZSA-N 228.336 2.125 0 40 BEAB NCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1 217622028 VXCMJHSSHQVAMK-NXEZZACHSA-N 225.295 2.453 0 40 BEAB OC[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 218685264 XTQUSGZZEOAIKF-UFBFGSQYSA-N 224.687 2.373 0 40 BEAB Cn1ncc2c(C(F)(F)F)cc(N)cc21 224414078 OPTDKUJSJSZJEP-UHFFFAOYSA-N 215.178 2.174 0 40 BEAB Fc1c(F)c(F)c(C2CNC2)c(F)c1F 238605714 CJWLVSOCFDSIJP-UHFFFAOYSA-N 223.144 2.069 0 40 BEAB Nc1nc(C(F)F)ccc1Br 238638728 RJAVBCCYJGMORB-UHFFFAOYSA-N 223.020 2.364 0 40 BEAB Cc1cn2c(CNCC(C)C)cnc2s1 256053312 QXZLDERDHBTHSO-UHFFFAOYSA-N 223.345 2.450 0 40 BEAB Fc1cnc(N2CCC[C@H]2c2cccnc2)nc1 532619350 AKMZOQONWLMBPC-LBPRGKRZSA-N 244.273 2.352 0 40 BEAB Brc1cc2nncn2c2ncccc12 1857790121 JGVSVLACPOWEDE-UHFFFAOYSA-N 249.071 2.040 0 40 BEAB Cc1nc2ccccc2c(N)c1[C@@H](C)O 9783 CGNUFQNISVSNRG-MRVPVSSYSA-N 202.257 2.179 0 40 BEAB Cc1ccc2c(c1)C(=O)N(c1nccs1)C2=O 832251 IRRQYYPYLONJFQ-UHFFFAOYSA-N 244.275 2.252 0 40 BEAB C[C@@H]1CCCCN1C(=O)c1cccnc1 1456449 OPCGFWHCHDLRFY-SNVBAGLBSA-N 204.273 2.096 0 40 BEAB CC(C)(C)NC(=O)Nc1cccc(C(=O)O)c1 1751284 LBDSQGPMOHWZSP-UHFFFAOYSA-N 236.271 2.305 0 40 BEAB CCN(CC)c1cccc(OC(=O)NC)c1 1758787 CZZWOJXFCKBYNE-UHFFFAOYSA-N 222.288 2.251 0 40 BEAB CCOC[C@@H]1CO[C@H](/C=C\c2ccccc2)O1 4802512 SNOONPGSCTXEMP-OZMYFSDFSA-N 234.295 2.478 0 40 BEAB CCCOC(=O)/C=C(\Cl)C(=O)OCCC 5493512 VTUCYQFUIWDWJL-FPLPWBNLSA-N 234.679 2.016 0 40 BEAB O=[S@](CC1(O)CCCCC1)c1ccccc1 5955538 KVRLJSGGZODSGI-INIZCTEOSA-N 238.352 2.489 0 40 BEAB CCCNCc1cc2ccccc2nc1O 9210486 KUGPEPFDEVTJRS-UHFFFAOYSA-N 216.284 2.440 0 40 BEAB COc1cc2c(cc1OC)[C@H](C1CC1)NCC2 11598970 YWQQWCDYTYZUCM-AWEZNQCLSA-N 233.311 2.301 0 40 BEAB C[C@@H]1CNC[C@@H](C)N1c1ccc(F)cc1 11632651 XSWIJPLJWWYSJJ-NXEZZACHSA-N 208.280 2.012 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl 11754433 LSUOTUMUJFAPFB-NSHDSACASA-N 238.718 2.339 0 40 BEAB O=Cc1cc2ccc(C(F)(F)F)cc2[nH]c1=O 11956168 VHYBCPRQFFYEEJ-UHFFFAOYSA-N 241.168 2.359 0 40 BEAB Cc1ccc(S(=O)(=O)Cc2cccnc2)cc1 12537781 AWOCCKKXKZBJRA-UHFFFAOYSA-N 247.319 2.364 0 40 BEAB Cc1ccccc1CNC(=O)NC(C)C 12985359 KPGZJHNMTBEMKQ-UHFFFAOYSA-N 206.289 2.203 0 40 BEAB Fc1ccc(O[C@@H]2CCNC2)c(Cl)c1 14632098 XHMHTNULNLTTSJ-MRVPVSSYSA-N 215.655 2.220 0 40 BEAB Nc1cccc(NC(=O)CN2CCCCCC2)c1 19775315 ICJJXBMTHUXEEP-UHFFFAOYSA-N 247.342 2.083 0 40 BEAB OC1CCC(NCc2ccc(F)c(F)c2)CC1 19918502 KCTAELZYPKNGOI-UHFFFAOYSA-N 241.281 2.358 0 40 BEAB NCCn1ccc2ccc(Br)cc21 32500123 OMGVLLAFASAZKD-UHFFFAOYSA-N 239.116 2.363 0 40 BEAB Cc1ccc(Cl)cc1S(=O)(=O)NC(C)C 32601736 VWLUJXATMFHKLP-UHFFFAOYSA-N 247.747 2.335 0 40 BEAB CCOC(=O)c1cc2cccc(F)c2[nH]1 34217062 MOWXTDGMXSHYRL-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB COC(=O)c1ccc(CN2CCCC2)c(OC)c1 34507835 FTXRHUFBRXSOBJ-UHFFFAOYSA-N 249.310 2.078 0 40 BEAB Oc1cccc(CNC[C@@H](O)c2ccccc2)c1 35111644 JIKCMGRFMNDBGD-OAHLLOKOSA-N 243.306 2.215 0 40 BEAB COCc1ccccc1CNC(=O)CC(C)C 36394009 WMJRECBWJCCCIP-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB CCn1c(-c2cn[nH]c2N)nc2cc(F)ccc21 37439400 ZKGNYFSZLAPJBW-UHFFFAOYSA-N 245.261 2.168 0 40 BEAB CCNc1ccc([C@H]2CCCN2C)cn1 39039606 AIVCGSKEACPYBS-LLVKDONJSA-N 205.305 2.280 0 40 BEAB CCCNC(=O)CCCOc1ccccc1 40459997 KZQOOIHFYKOHJU-UHFFFAOYSA-N 221.300 2.372 0 40 BEAB CN(C)C(=O)CN(C)[C@@H]1CCCc2ccccc21 40465791 PKZIHHKSYCNAJN-CQSZACIVSA-N 246.354 2.084 0 40 BEAB CC(C)(C)c1ccc(OC2CNC2)cc1 42769987 UBLYGJGLNQWBOP-UHFFFAOYSA-N 205.301 2.335 0 40 BEAB in-vitro Cc1ccccc1CN1CCC(CO)CC1 46090816 SGWYIBQKVGDHPZ-UHFFFAOYSA-N 219.328 2.199 0 40 BEAB CCS(=O)(=O)N[C@@H](c1ccccc1)C(C)C 48903784 HHBWFFLNMFXESC-GFCCVEGCSA-N 241.356 2.323 0 40 BEAB N=C(NCC[C@@H]1CCCO1)Nc1ccccc1 52047800 VLAUYBVHKJZKQB-LBPRGKRZSA-N 233.315 2.192 0 40 BEAB CC[C@@H](C)NC(=O)CN(C)c1ccccc1 58330293 SKJWGZPRPRXBNN-LLVKDONJSA-N 220.316 2.038 0 40 BEAB Cc1cc(C2CC2)nc(C2CCNCC2)n1 70950728 BRTMLIVTZBXDEL-UHFFFAOYSA-N 217.316 2.129 0 40 BEAB Cc1cc(N)ncc1[C@H](O)c1ccccc1 72223083 IGJCRGYQFNMHCU-CYBMUJFWSA-N 214.268 2.054 0 40 BEAB OCc1cc(-c2ccccc2)nnc1Cl 72233359 JRGDUAKJLRQAJP-UHFFFAOYSA-N 220.659 2.289 0 40 BEAB c1cnc([C@H]2CCCN(CC3CC3)C2)cn1 72361339 VUCZYUKZZRXBNP-LBPRGKRZSA-N 217.316 2.066 0 40 BEAB Cc1cccc(CC(=O)NCc2cccnc2)c1 74825305 WBSWSCWKHXDECG-UHFFFAOYSA-N 240.306 2.249 0 40 BEAB O=C(CCC(F)(F)F)Nc1ccncc1 79338784 ZZBBPZYXFQOENP-UHFFFAOYSA-N 218.178 2.363 0 40 BEAB CC[C@@H](C)c1nc(C)c(CC(=O)O)c(C)n1 82562706 FWMMINMEUAPWNJ-SSDOTTSWSA-N 222.288 2.234 0 40 BEAB CN1CCC2(CC1)CNc1ccc(F)cc12 84781194 OQZNNVIICURFHE-UHFFFAOYSA-N 220.291 2.215 0 40 BEAB CC1=CCN(C(=O)Nc2nccs2)CC1 89919761 IHWZEPMXZUCWIX-UHFFFAOYSA-N 223.301 2.327 0 40 BEAB C[C@@H]1CCCN(C(=O)Nc2ccncc2F)C1 95940252 YNEVHMIBVWURHY-SECBINFHSA-N 237.278 2.485 0 40 BEAB Cc1c(NC(=O)c2cc[nH]n2)cccc1N(C)C 95987389 ABAQBNVTJRSUIS-UHFFFAOYSA-N 244.298 2.036 0 40 BEAB CC[C@H](C)OCC(=O)Nc1ncccc1Cl 95994015 MRJUICMVEZUXSQ-QMMMGPOBSA-N 242.706 2.489 0 40 BEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 96026220 CJGCFSACALSTJS-YPMHNXCESA-N 233.311 2.085 0 40 BEAB OCC[C@@H](NCC(F)(F)F)c1ccccc1 96490931 FTZHVDMTIAEKKT-SNVBAGLBSA-N 233.233 2.262 0 40 BEAB Cc1c(CN(C(C)C)C(C)C)cnn1C 97048554 ZREOXDYZYXPABZ-UHFFFAOYSA-N 209.337 2.347 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CNCCCn1ccnn1 97098870 DKALXIQHFOUXMQ-KBPBESRZSA-N 248.374 2.250 0 40 BEAB C1C[C@H]2CN(c3nc(C4CC4)no3)C[C@@H]2C1 98019116 QXNIGHYTTLBUKF-UWVGGRQHSA-N 219.288 2.183 0 40 BEAB O=C1CC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3CC[C@H]4C3)[C@@H]12 104292444 LUPBDHBRYILHLB-IKLFFHFYSA-N 228.291 2.137 0 40 BEAB CC1(C)C[C@@H]1C(=O)N1CCC(n2cccn2)CC1 120860644 INQSKYCFADQFRU-GFCCVEGCSA-N 247.342 2.093 0 40 BEAB CC(C)(C)OC(=O)N(C/C=C/C(=O)O)C1CC1 208184331 JDASRHSDOIVPPB-SNAWJCMRSA-N 241.287 2.027 0 40 BEAB Cc1c(N)cc(C(=O)N2CCC[C@@H](C)C2)cc1N 226304505 JOWTWTDYSYGQBL-SECBINFHSA-N 247.342 2.032 0 40 BEAB CC[C@H](C)n1cc(Cl)c(C(=O)OC)n1 408715741 DCAHCLHEHYLNCY-LURJTMIESA-N 216.668 2.294 0 40 BEAB CCCN1C(=O)N/C(=C/C=C/c2ccco2)C1=O 409250698 RSMCPHKUZKGFRJ-RBMCBPMHSA-N 246.266 2.139 0 40 BEAB CC(=O)OC(C)(C)C(=O)c1ccc(F)c(F)c1 575358088 JAFBCWGMUPEWRV-UHFFFAOYSA-N 242.221 2.489 0 40 BEAB Cc1cncc(O[C@H]2CCCC[C@@H]2N(C)C)n1 585652428 ZPZUKVRAWYZNCA-RYUDHWBXSA-N 235.331 2.037 0 40 BEAB O=C(Nc1nccs1)c1cccs1 39652 ZJMXIXDFMLCWHZ-UHFFFAOYSA-N 210.283 2.457 0 40 BEAB Cc1ccnc(NC(=O)C2CCCCC2)n1 1006351 GUSAXSMNYBRIKG-UHFFFAOYSA-N 219.288 2.304 0 40 BEAB C[C@@H]1CCCN(Cn2nnc3ccccc32)C1 2016788 UTTHDTVLDARJEP-LLVKDONJSA-N 230.315 2.121 0 40 BEAB CCn1cc(/C=C/C(=O)NC2CCCCC2)cn1 2759987 JCIRANCOKQYFSQ-CMDGGOBGSA-N 247.342 2.365 0 40 BEAB Cc1cc(C)n2c(-c3ccccc3)nnc2n1 3161127 LINOHOMCMBNSRP-UHFFFAOYSA-N 224.267 2.408 0 40 BEAB O=C(O)c1ccnc([C@H]2CCCCC2=O)c1 4228187 PZJPDEBEAYCCIA-SECBINFHSA-N 219.240 2.007 0 40 BEAB O=NNc1nc(-c2ccccc2)ns1 4582996 SJDFTSOKCKUDEM-UHFFFAOYSA-N 206.230 2.298 0 40 BEAB CC(=O)Sc1nncc2ccccc12 5383352 CQIFQWGJTMTJBT-UHFFFAOYSA-N 204.254 2.268 0 40 BEAB CC(=C\C(=O)O)/C(=C\c1ccc(C)o1)C(=O)O 6131818 VYSHNWBPRAODAM-YLNKAEQOSA-N 236.223 2.087 0 40 BEAB O=C1Nc2ccccc2Oc2ncccc21 6476274 SMKXEJRITQTCCL-UHFFFAOYSA-N 212.208 2.440 0 40 BEAB S=c1[nH]c2cc3c(cc2[nH]1)OCCCO3 6505264 OFJYDOHABMNROX-UHFFFAOYSA-N 222.269 2.387 0 40 BEAB Cc1ccc2nc(C(N)=S)ccc2c1 12394569 MRGBXQCDBAPQDN-UHFFFAOYSA-N 202.282 2.177 0 40 BEAB O=C(NC(C1CC1)C1CC1)c1ccco1 12977294 LPMXAHKIWMQVGV-UHFFFAOYSA-N 205.257 2.198 0 40 BEAB O=C(NC[C@H]1CCCO1)[C@H]1C[C@@H]1c1ccccc1 16225957 ZVXNHYZKXBMGBJ-MCIONIFRSA-N 245.322 2.085 0 40 BEAB Cc1nn(C)c(C)c1NC(=O)c1cccs1 27927084 ZGVMOKUMFXPVLJ-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2C)n1 32906163 IKXNCIWUTPKIFA-LBPRGKRZSA-N 249.358 2.291 0 40 BEAB Cc1onc(C(=O)O)c1CN1CCCC[C@@H]1C 34925035 ITJDMLJWFHXKLU-QMMMGPOBSA-N 238.287 2.056 0 40 BEAB O=C(Nc1ccccc1F)c1n[nH]cc1Cl 36624012 MIRMHANYLPCSTD-UHFFFAOYSA-N 239.637 2.455 0 40 BEAB CSCC[C@@H](N)c1nc(C2CCCC2)no1 37756500 BNEZDHOGRMUPAQ-SECBINFHSA-N 241.360 2.480 0 40 BEAB CC(C)(C)OC(=O)[C@H]1NCc2ccccc21 39619931 PWIAGLNSTFLOOB-NSHDSACASA-N 219.284 2.173 0 40 BEAB N[C@@H](Cc1c[nH]c2ccccc12)CN1CCCC1 39794766 QOEMWGVGAUPHIX-ZDUSSCGKSA-N 243.354 2.134 0 40 BEAB Cc1cc(NC(=O)/C=C/c2ccc(C)o2)n(C)n1 40072592 AWQHDUPNJAMWGQ-VOTSOKGWSA-N 245.282 2.282 0 40 BEAB C[C@H](C1CC1)N(C)S(=O)(=O)c1ccccc1 40490081 BKKOFXVZUIRYJE-SNVBAGLBSA-N 239.340 2.106 0 40 BEAB CC[C@]1(c2ccc(C(C)C)cc2)NC(=O)NC1=O 41583533 QFXJAIMMDDEZPW-CQSZACIVSA-N 246.310 2.255 0 40 BEAB c1ccc(CN2CCC3(CC2)NCCS3)cc1 43827590 YZPZCDOJDXFOCJ-UHFFFAOYSA-N 248.395 2.315 0 40 BEAB COCCSc1ccc(NC(C)=O)cc1 44890468 NQOCUXOVZRNLCR-UHFFFAOYSA-N 225.313 2.384 0 40 BEAB Cc1ccc(CC(=O)Nc2c[nH]nc2C)cc1 49476550 CQXVMOQAAGAFST-UHFFFAOYSA-N 229.283 2.208 0 40 BEAB O=C(O)c1ccc(C(=O)c2ccncc2)cc1 49820644 VXKDGWYCUZDPEY-UHFFFAOYSA-N 227.219 2.011 0 40 BEAB C[C@@H](NC(=O)c1cccnc1N)c1ccccc1 50201114 WZARVFBGTBKYHS-SNVBAGLBSA-N 241.294 2.155 0 40 BEAB CCOC(=O)c1nc(C)[nH]c1[C@H]1C[C@H]1C 66339160 GQNIWBMKBWLDTC-SVRRBLITSA-N 208.261 2.018 0 40 BEAB CC(C)CCN1CCC[C@@H](Cn2cncn2)C1 69628527 NGYLHCFGRKDGEG-CYBMUJFWSA-N 236.363 2.036 0 40 BEAB C[C@H]1CC[C@H](Nc2cccc(C(N)=O)c2)C1 70642838 ILTUXUDMLIPUIS-CABZTGNLSA-N 218.300 2.386 0 40 BEAB CCOC(=O)c1cc(OCc2ccccc2)n[nH]1 72209353 BGLAKIDPGAFNDI-UHFFFAOYSA-N 246.266 2.165 0 40 BEAB Cc1nc(Br)ccc1[C@@H](C)O 72223996 YSOMOKLXQXVZLD-ZCFIWIBFSA-N 216.078 2.206 0 40 BEAB CN1CCc2c(NC(=O)N3CCCC3)cccc21 75110606 MIPPDPALUQONJZ-UHFFFAOYSA-N 245.326 2.307 0 40 BEAB CC(=O)N1N=C(c2ccccc2)O[C@H]1C(C)C 76006908 LKVFLUPETWHODK-ZDUSSCGKSA-N 232.283 2.209 0 40 BEAB Cc1ccc2n[nH]c(C(=O)O)c2c1Cl 76643185 KLCSPEAZIUBUDB-UHFFFAOYSA-N 210.620 2.223 0 40 BEAB Cc1cccc(CC(=O)O)c1Br 84506920 JZMWDWZVHXNEEF-UHFFFAOYSA-N 229.073 2.385 0 40 BEAB in-vitro COC(=O)[C@](C)(Br)c1ccccc1 85395045 XECIJJYOXCSSSF-SNVBAGLBSA-N 243.100 2.470 0 40 BEAB COC(=O)c1cc2[nH]ncc2cc1Cl 89197091 IRNJLQBICRVUAE-UHFFFAOYSA-N 210.620 2.003 0 40 BEAB in-vitro Cc1cc(F)cc(C(=O)CSCC(=O)O)c1 95634340 FMZLLJLAJWPHBD-UHFFFAOYSA-N 242.271 2.135 0 40 BEAB CCN1CC[C@@]12CCN(CCc1ccccc1)C2 96075907 ZQOAVMWMIOCHFC-MRXNPFEDSA-N 244.382 2.399 0 40 BEAB C[C@H]1CCCC[C@@H]1CNCCn1ccnc1 97086458 WWRLDQQCOFBPJO-QWHCGFSZSA-N 221.348 2.299 0 40 BEAB C/C=C/C[S@@](=O)Cc1nc(C)c(C)o1 97370539 TXYLNHYWHKNEQF-NNTXTVRGSA-N 213.302 2.116 0 40 BEAB Cc1cnn(Cc2noc(-c3cccs3)n2)c1 98013761 AUSSYFQSAIEGAQ-UHFFFAOYSA-N 246.295 2.351 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC12CCOCC2 98213966 IKKMVYIICQQNHL-SECBINFHSA-N 227.304 2.080 0 40 BEAB COc1ccccc1[C@@H](CN)N1CCC[C@H](C)C1 108349920 AWACISUOWGQNCH-GXTWGEPZSA-N 248.370 2.427 0 40 BEAB NC[C@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218700626 JCVNEPFOJPAIAS-MNOVXSKESA-N 213.227 2.144 0 40 BEAB CN1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1 225606663 DCULMEWANYUGGF-KOLCDFICSA-N 245.153 2.350 0 40 BEAB Cc1ccc(N(C)C(=O)c2cnn(C)c2)cc1C 225888448 XLUROCZDFOEKGX-UHFFFAOYSA-N 243.310 2.314 0 40 BEAB COc1ccc(Cl)cc1C(=O)COC(C)=O 382705234 RYBJLWFAOKVGKD-UHFFFAOYSA-N 242.658 2.094 0 40 BEAB Cc1cnn(C)c1NC(=O)c1ccsc1C 617276980 XAAWVBVTTABRCR-UHFFFAOYSA-N 235.312 2.351 0 40 BEAB CC[C@H](C)N1CCC(NC(=O)C2CCC2)CC1 1257443750 WMEOJDSSUCCSKX-NSHDSACASA-N 238.375 2.166 0 40 BEAB Cn1cnc2c(Cl)c(Cl)ccc2c1=O 1888859929 VBGHNKDMOAJJDE-UHFFFAOYSA-N 229.066 2.240 0 40 BEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccco2)C1 29996 BAIZGXIYKGQGAN-UWVGGRQHSA-N 207.273 2.398 0 40 BEAB c1ccc(-c2cn3ncsc3n2)cc1 392291 GFPSTSCYNCOYTN-UHFFFAOYSA-N 201.254 2.458 0 40 BEAB CC(C)NC(=O)c1cc(-c2ccccc2)on1 815041 IJRFYRIYWKYKTC-UHFFFAOYSA-N 230.267 2.480 0 40 BEAB O[C@H](C[C@H]1CCCCN1)c1ccccc1 1567966 OPZVPQVONVBYTF-CHWSQXEVSA-N 205.301 2.252 0 40 BEAB biogenic C[C@@H]1COCO[C@H]1c1ccc2c(c1)OCO2 1599424 VSBPRBXTUAKKSY-PRHODGIISA-N 222.240 2.097 0 40 BEAB CCOc1ccc(CN2CCOC2=O)cc1 1672060 RFTCXCQOAGBGEN-UHFFFAOYSA-N 221.256 2.038 0 40 BEAB COc1cc(OC)c(C(=O)O)cc1Cl 1759945 YVMAOAQQUJFELI-UHFFFAOYSA-N 216.620 2.055 0 40 BEAB in-vitro COc1c(Cl)cc(C)cc1C(=O)O 3101775 OANBHFLWAQZFBC-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB COC(=O)[C@@H](c1ccccc1)n1cccc1 5605843 NEFFWSGGTRVHFF-GFCCVEGCSA-N 215.252 2.251 0 40 BEAB O[C@@H](c1nc2ccccc2o1)C(F)(F)F 8393162 OHOLEPTWLPQYIS-ZETCQYMHSA-N 217.146 2.424 0 40 BEAB in-vitro CC(=O)c1c[nH]c2ccc(C)cc2c1=O 8762824 HEUUNOJLQNBBHX-UHFFFAOYSA-N 201.225 2.039 0 40 BEAB CC1=CC[C@H]([C@]2(C)CC(C(=O)O)=NO2)CC1 12416775 BVSRPFFUJYAQCM-CABZTGNLSA-N 223.272 2.352 0 40 BEAB Cc1ccc(CN(C)c2ncccn2)cc1 12552201 OBLLVUIEHOMZFL-UHFFFAOYSA-N 213.284 2.421 0 40 BEAB CCONC(=O)c1cc(Cl)ccc1OC 12746464 CTZUKFNMBACASY-UHFFFAOYSA-N 229.663 2.030 0 40 BEAB Cc1cccc(O[C@@H]2CCCNC2)c1C 14631643 ASENSQCMNLUDAX-GFCCVEGCSA-N 205.301 2.434 0 40 BEAB Cc1cccc(-n2[nH]c3c(c2=O)CCCC3)c1 17832022 XODZKZMVGGKPSE-UHFFFAOYSA-N 228.295 2.353 0 40 BEAB CN(C)C(=O)CCc1ccccc1Cl 20117263 YFDOBBLCLBUAJX-UHFFFAOYSA-N 211.692 2.361 0 40 BEAB COC(=O)c1ccc(Cn2cccc2)cc1 20447490 BNXGZIPOOLILJR-UHFFFAOYSA-N 215.252 2.323 0 40 BEAB CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)o1 27906257 HOXUNYYAZVMYEY-KOLCDFICSA-N 237.299 2.139 0 40 BEAB O=C(NCCOc1ccc(F)cc1)c1ccoc1 30131086 LHVAKFLNJRSKCS-UHFFFAOYSA-N 249.241 2.228 0 40 BEAB CCOCCOc1ccc2cc(N)ccc2n1 35343836 BBAFBWRQKYFRID-UHFFFAOYSA-N 232.283 2.232 0 40 BEAB in-vitro CCCC[C@H](CC)C(=O)N[C@H](C)CC(=O)O 37457879 SGJOUOAHSOFHTD-ZJUUUORDSA-N 229.320 2.182 0 40 BEAB COC(=N)c1ccccc1Br 37928053 PHIYGACBUKWKSV-UHFFFAOYSA-N 214.062 2.421 0 40 BEAB CCOC(=O)c1cn2c(cnc3ccccc32)n1 39427693 UMZALKINSDJRCY-UHFFFAOYSA-N 241.250 2.059 0 40 BEAB Cc1cc(NC(=O)CCc2ccsc2)n(C)n1 40504941 JCHGBLYWLDJWSP-UHFFFAOYSA-N 249.339 2.361 0 40 BEAB COCC(=O)N[C@H](C)Cc1cccc(Cl)c1 40534903 IJLCLLIYDCOZGI-SECBINFHSA-N 241.718 2.034 0 40 BEAB Cc1nc(CNC(=O)NC2CCCC2)cs1 42823329 XUOULFDPOHFEAP-UHFFFAOYSA-N 239.344 2.193 0 40 BEAB COC(=O)CCC(=O)c1c(F)cccc1F 43368553 VNAAIQZIQRBKKK-UHFFFAOYSA-N 228.194 2.101 0 40 BEAB C[C@@H]1CCC(=O)[C@H](C(=O)c2ccco2)C1 43651453 ANGMEORCXOCVFA-RKDXNWHRSA-N 206.241 2.468 0 40 BEAB COc1cc(C(F)(F)F)nc(OC)c1F 47218609 CEIVFZDETATDQN-UHFFFAOYSA-N 225.141 2.257 0 40 BEAB CC1(C)C[C@@H](N)c2cc3nc[nH]c3cc21 57347038 IWWKLSDLLRWYGC-SECBINFHSA-N 201.273 2.244 0 40 BEAB CC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57514575 LVAJVEXGXPATDJ-QWRGUYRKSA-N 222.215 2.019 0 40 BEAB CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 60007093 XLDQNKSCLODJJQ-DTWKUNHWSA-N 243.303 2.107 0 40 BEAB CC(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 69271545 NAPCCAHFOLFWRQ-KGLIPLIRSA-N 247.338 2.475 0 40 BEAB FC(F)(F)Oc1ccc2[nH]cnc2c1 71790192 YBOXTUJLDCBPEO-UHFFFAOYSA-N 202.135 2.462 0 40 BEAB CC[C@H](N)c1ccc(N2CCCCC2)nc1 72225455 MGFJYVJXWZPMDV-LBPRGKRZSA-N 219.332 2.482 0 40 BEAB COCCCCCn1c(C)c(C)sc1=O 76062575 KWXDEMRNYZKKNQ-UHFFFAOYSA-N 229.345 2.343 0 40 BEAB CCOC(=O)CCc1cccc([C@H]2CCCN2)n1 77010583 MEYQIOIEERNLSA-GFCCVEGCSA-N 248.326 2.002 0 40 BEAB CN(C)c1nccc(N(C)Cc2ccccc2)n1 77210266 CXKIKFXNJBHJMT-UHFFFAOYSA-N 242.326 2.179 0 40 BEAB CC[C@@H](C)Sc1nnnn1CC(F)(F)F 77935620 VWYJMEFADUAKOV-RXMQYKEDSA-N 240.254 2.126 0 40 BEAB OCCc1ccc(F)c(Br)c1 78434605 HBDMLERTYAXGAE-UHFFFAOYSA-N 219.053 2.123 0 40 BEAB NCC1CCN(CCC2CCCC2)CC1 78526351 KLJOWUIDBKDXEF-UHFFFAOYSA-N 210.365 2.237 0 40 BEAB CN[C@@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C 79437586 SSLOSKCKBZUWFU-MNOVXSKESA-N 242.363 2.384 0 40 BEAB Cc1cc(Br)c2c(c1)[C@@H](O)CO2 84150272 ZUAGOJVQIMCGHK-QMMMGPOBSA-N 229.073 2.183 0 40 BEAB C[C@@H](CN)Cc1ccccc1OC(F)F 89262703 HZAIRVONBVDNNZ-MRVPVSSYSA-N 215.243 2.425 0 40 BEAB CC[C@H](c1ccccc1)N(CC(=O)OC)C(C)=O 90687028 CUANNSHSLHLLLC-CYBMUJFWSA-N 249.310 2.159 0 40 BEAB Fc1ccc([C@@H]2NCCn3cccc32)cc1F 95618453 MFICLFNZXYXVGW-ZDUSSCGKSA-N 234.249 2.459 0 40 BEAB COC(=O)C[C@@H](C)OC(=O)c1cccc(C)c1 97376734 XXEDOYSKZRDOBH-SNVBAGLBSA-N 236.267 2.103 0 40 BEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(F)cc1 100038720 OJKPJRQHFGDFJW-RYUDHWBXSA-N 245.253 2.281 0 40 BEAB CCC[C@H](C)N1CCC(S(=O)(=O)CC)CC1 192849835 KUFNSNIPPSQGTD-NSHDSACASA-N 247.404 2.074 0 40 BEAB N[C@@H]1CCC[C@H]1Nc1ccc(F)cc1F 218883935 KSZVCASZTHSWLG-MWLCHTKSSA-N 212.243 2.257 0 40 BEAB COC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225362722 NJNFXSZTLYJIME-UHFFFAOYSA-N 234.251 2.025 0 40 BEAB Cc1ccnc(C)c1[C@H](C)O[C@@H]1CCNC1 242495971 GWAWNDBDTSHGCH-NWDGAFQWSA-N 220.316 2.138 0 40 BEAB CC(C)c1ccc([C@H]2CN(C)C[C@H]2CO)cc1 242592197 OLZNQGPPDNVRMI-LSDHHAIUSA-N 233.355 2.448 0 40 BEAB O=C(NC1CCC(F)(F)CC1)C1CC1 307331587 PIGHCGICNNCOLU-UHFFFAOYSA-N 203.232 2.091 0 40 BEAB O=Cc1c(C(F)(F)F)cnc(F)c1F 604221702 WVNIPMJLOLVFTM-UHFFFAOYSA-N 211.089 2.191 0 40 BEAB CCC1(C(N)=O)CCN(Cc2ccccc2)CC1 953010025 CWEYWRMCNXPMKN-UHFFFAOYSA-N 246.354 2.164 0 40 BEAB CCNc1nnc(-c2nn(C)cc2Cl)s1 2743418 UPODEPMGLKNDKV-UHFFFAOYSA-N 243.723 2.024 0 40 BEAB CC(C)NC(=O)c1cc2c(s1)CCC2 4948661 AWRQPNZMRYGKEN-UHFFFAOYSA-N 209.314 2.375 0 40 BEAB C[C@H]1C[C@H]2C[C@H](C(=O)O)C(C)(C)[C@]2(C(=O)O)C1 5029112 OACUAIIJUUAESB-NMSKTSORSA-N 240.299 2.234 0 40 BEAB CCCCNCCC(=O)OC(C)(C)C 5066415 NIYLFPXKKQMEIR-UHFFFAOYSA-N 201.310 2.108 0 40 BEAB CC(C)NC(=O)c1ccc(O)c(Cl)c1 5171579 LROYXAWNEVVRSV-UHFFFAOYSA-N 213.664 2.184 0 40 BEAB CCCCCC[C@H]1C[C@@H](C)N(CCO)C1=O 5244905 OGJHQQJFKJKOEB-NEPJUHHUSA-N 227.348 2.186 0 40 BEAB COc1ccc([C@@H]2C[C@@H]3CC[C@H]([C@@H]2O)N3C)cc1 5496303 IZCIXCQYMYMPDS-SPWCGHHHSA-N 247.338 2.006 0 40 BEAB O[C@H](c1nc2ccccc2o1)C(F)(F)F 8393165 OHOLEPTWLPQYIS-SSDOTTSWSA-N 217.146 2.424 0 40 BEAB in-vitro O=C(NCc1ccccn1)NCC1CCCCC1 9219194 NMZAGKHQFNTYHB-UHFFFAOYSA-N 247.342 2.461 0 40 BEAB Cc1ccc(/C=C2\SC(=O)NC2=O)s1 12577542 BWOSUTDBERISKX-DAXSKMNVSA-N 225.294 2.380 0 40 BEAB N[C@H]1CCOc2ccc(C(F)(F)F)cc21 16082998 UPEDVFHMBQZINU-QMMMGPOBSA-N 217.190 2.488 0 40 BEAB CCC(=O)Nc1ccc2nsnc2c1 17083471 ZCQKCWSEUAEXJF-UHFFFAOYSA-N 207.258 2.040 0 40 BEAB NCCCO[C@H]1CCCc2ccccc21 19274545 JENULZRUMFTMNL-ZDUSSCGKSA-N 205.301 2.429 0 40 BEAB in-vitro Cc1cnc(C(=O)N[C@@H](C)c2cccs2)cn1 21359018 MPYYMUHXZXBKBC-VIFPVBQESA-N 247.323 2.338 0 40 BEAB CN(c1ccc(CN)cn1)C1CCCCC1 22162059 XPZLWUNZOPNKCW-UHFFFAOYSA-N 219.332 2.309 0 40 BEAB CCONC(=O)Cc1ccc2ccccc2c1 22874352 BWXLFYJWDBZZET-UHFFFAOYSA-N 229.279 2.450 0 40 BEAB CCc1n[nH]c(=S)n1NCc1cccs1 26482097 GNPIIXFFWYHUQW-UHFFFAOYSA-N 240.357 2.308 0 40 BEAB CC1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 32797148 GSCPNQSKUFWTAO-LLVKDONJSA-N 226.364 2.022 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)c1ccncc1 32817674 IWZFMMVNVAEIRC-JTQLQIEISA-N 230.267 2.036 0 40 BEAB O=Cc1cccn1CC(=O)Nc1ccccc1F 33508499 NHPNPMMVKGKNES-UHFFFAOYSA-N 246.241 2.078 0 40 BEAB CCOC(=O)Nc1ccc(F)c(C(=O)O)c1 37396382 RBLYLLHPWSXXRW-UHFFFAOYSA-N 227.191 2.092 0 40 BEAB NC[C@H](c1ccccc1F)N1CCCCC1 38916563 INORNADMOBKASS-CYBMUJFWSA-N 222.307 2.311 0 40 BEAB CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 39291911 OKXUBGULDQECIU-UHFFFAOYSA-N 207.258 2.184 0 40 BEAB C[C@H]1COC[C@H](C)N1C(=O)Nc1ccccc1 40634696 YHUZAHVPIQCQGA-QWRGUYRKSA-N 234.299 2.328 0 40 BEAB C=CC(=O)NCCc1nc2ccccc2s1 40798643 HAVBQKGNXKETSB-UHFFFAOYSA-N 232.308 2.141 0 40 BEAB CN(C)c1cccc(C(=O)CC(C)(C)C(=O)O)c1 43214228 ZGJODSNYZLJFOV-UHFFFAOYSA-N 249.310 2.436 0 40 BEAB C[C@@H]1CCC(=O)[C@@H](C(=O)c2ccco2)C1 43651457 ANGMEORCXOCVFA-BDAKNGLRSA-N 206.241 2.468 0 40 BEAB C[C@H](CNC(C)(C)C)C(=O)OC(C)(C)C 47219147 WTSKXLVCKPVEPI-SECBINFHSA-N 215.337 2.352 0 40 BEAB CCCCN(C)C(=O)Nc1cccnc1OC 48286165 WOOADOCSXIWYGC-UHFFFAOYSA-N 237.303 2.354 0 40 BEAB CC[C@@H](C)NC(=S)Nc1ccc(OC)nc1 59113746 YZJJUKHZWBUBHQ-MRVPVSSYSA-N 239.344 2.175 0 40 BEAB C[C@@H](N)c1ccc(F)cc1OC(F)F 62745843 PZJJUPMUYZHXIQ-RXMQYKEDSA-N 205.179 2.447 0 40 BEAB in-vitro Nc1cnn(-c2cc(Cl)cc(Cl)c2)n1 76063006 LLVKFQAYPAASKP-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB CSC1(CNc2ccccn2)CCOCC1 78412706 JYBKSDYYSIPGNA-UHFFFAOYSA-N 238.356 2.406 0 40 BEAB CSc1nc(N)cc(-c2ccccc2)n1 82286262 UUTMXCYCFJHKOB-UHFFFAOYSA-N 217.297 2.448 0 40 BEAB COc1cc(Cl)c(C)cc1CC(=O)O 82724847 JEVIVRIURAAILL-UHFFFAOYSA-N 214.648 2.284 0 40 BEAB C[C@H]1CCC[C@H](OCC(=O)N2CCCC2)C1 84689634 NVTZYABFJBSWBE-RYUDHWBXSA-N 225.332 2.204 0 40 BEAB OCc1ccc(OC(F)(F)F)cc1F 91251976 BBHRDCVRVNBYCO-UHFFFAOYSA-N 210.126 2.217 0 40 BEAB in-vitro Cc1ccc(C(=O)O)cc1NCc1cnco1 91408752 NRGYSJVNYAEFSP-UHFFFAOYSA-N 232.239 2.293 0 40 BEAB C[C@H](C[C@@H](O)c1cccs1)Nc1ncccn1 95973069 BOMTZTYGZXMGKJ-NXEZZACHSA-N 249.339 2.462 0 40 BEAB O=C(c1cscn1)N1C[C@H]2CC=CC[C@@H]2C1 98013198 HIDRUNSKDSZYJB-NXEZZACHSA-N 234.324 2.181 0 40 BEAB CO/C=C(/F)C(=O)Nc1cccc(OC)c1 98175019 UVCOPCHMMDPZKF-JXMROGBWSA-N 225.219 2.091 0 40 BEAB COC(=O)c1cc(O)c2sccc2c1 215424522 BAUPXKYYZZTLHF-UHFFFAOYSA-N 208.238 2.394 0 40 BEAB O=C(O)c1cnc(C(Cl)(Cl)Cl)nc1 225011219 CJPXVUQDNYANSS-UHFFFAOYSA-N 241.461 2.002 0 40 BEAB CC(C)OC(=O)c1ccc(NC2CC2)c(N)c1 225409223 NDXZEWGTZWTPPS-UHFFFAOYSA-N 234.299 2.408 0 40 BEAB CCCC(=O)Nc1cc(N)ccc1N(C)C 226260564 XUOAOTVZKQELNI-UHFFFAOYSA-N 221.304 2.073 0 40 BEAB C[S@](=N)(=O)c1cccc(Br)c1 238856598 WJVBEFFLTYIYPW-NSHDSACASA-N 234.118 2.485 0 40 BEAB FCCn1nccc1CNCc1cccs1 256053699 SMUKJHMKHVBEOG-UHFFFAOYSA-N 239.319 2.204 0 40 BEAB Cc1cc(N2C[C@H]3CCC[C@H]3C2)ncn1 301587041 BOLMYUQMTZWCOB-PHIMTYICSA-N 203.289 2.021 0 40 BEAB CCOC(=O)c1ccc(C(=O)[C@H](C)Cl)o1 389390258 VKJUXXDJWKDXPC-LURJTMIESA-N 230.647 2.266 0 40 BEAB Cn1cc(Br)c2ncc(F)cc21 953064907 KCXREODXTGMVQU-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB O=C(O)c1cn2cc(C(F)(F)F)sc2n1 2086848030 PWCDKCPWOCSAOU-UHFFFAOYSA-N 236.174 2.113 0 40 BEAB Cc1nc(-c2nc3ccccc3s2)n[nH]1 2362801936 ZTKGAYMUGSVEIN-UHFFFAOYSA-N 216.269 2.390 0 40 BEAB O=C(Nc1ccc(Cl)cc1)c1csnn1 106090 LEVOVHCXPWAGFR-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CCCC[C@@H](CC)COC(=O)[C@H](C)O 1688340 FECDACOUYKFOOP-VHSXEESVSA-N 202.294 2.127 0 40 BEAB COc1ccc(CNCCCn2ccnc2)cc1 2510440 NFPUHHKCAWFCCC-UHFFFAOYSA-N 245.326 2.072 0 40 BEAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 2537052 YWWJNWUVNHXUKS-FSPLSTOPSA-N 219.210 2.499 0 40 BEAB Nc1ccccc1-n1ccc(C(F)(F)F)n1 12395361 DYEOSKFGQSXNTN-UHFFFAOYSA-N 227.189 2.473 0 40 BEAB Cc1cc2ccccc2n1CC(=O)NC(C)C 17301224 FADQJLJKPMKBKG-UHFFFAOYSA-N 230.311 2.474 0 40 BEAB CCCCNC(=O)c1ccc2nc(N)sc2c1 20154884 MYXQABVWFYDURQ-UHFFFAOYSA-N 249.339 2.408 0 40 BEAB CN(C)c1cccc(C(=O)NCc2ccco2)c1 21897206 WAXBVHNNGXMYCU-UHFFFAOYSA-N 244.294 2.276 0 40 BEAB CN(Cc1nnnn1C1CC1)CC1CCCCC1 32769958 FPCUGIMQXQBABL-UHFFFAOYSA-N 249.362 2.020 0 40 BEAB Cc1c(N)ccc(I)c1C 34213066 ZHZXYCMLUZIDEB-UHFFFAOYSA-N 247.079 2.490 0 40 BEAB COC(=O)c1ccccc1NC(=O)NC(C)C 35163907 MZBHWUSZUUSAKL-UHFFFAOYSA-N 236.271 2.003 0 40 BEAB CN[C@](C)(C(=O)O)c1ccccc1C(F)(F)F 37180675 KBMWTUFMOVJUEB-JTQLQIEISA-N 247.216 2.225 0 40 BEAB CC[C@H](NC[C@H]1CCCN1CC)C(C)C 37213835 BCZRSVBWTKKRAV-OLZOCXBDSA-N 212.381 2.495 0 40 BEAB OC1(c2ccccc2C(F)(F)F)CCNCC1 41292032 RFJBFMQLLHGBFH-UHFFFAOYSA-N 245.244 2.276 0 40 BEAB Cc1csc(SC[C@H]2CCCN2)n1 43497194 FUEDGMBKHZMNTD-MRVPVSSYSA-N 214.359 2.296 0 40 BEAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)[nH]n1 47555524 NDTNGNBPPPQJEK-UHFFFAOYSA-N 233.246 2.418 0 40 BEAB CN(Cc1ccccc1F)C[C@@H]1CCCO1 48343685 CYRBDJUKNPATEO-LBPRGKRZSA-N 223.291 2.437 0 40 BEAB O=C(O)[C@@H]1C[C@]12CCCc1ccccc12 52126549 WVRLFWFGLWUZBD-AAEUAGOBSA-N 202.253 2.365 0 40 BEAB in-vitro Cc1c(C(=O)N(C)C2CCC(C)CC2)cnn1C 58295582 NMVPUWSHOZYUDK-UHFFFAOYSA-N 249.358 2.379 0 40 BEAB O=C(O)c1c(O)cnc2ccc(Cl)cc12 59325727 KDQCRVUJRDKQLC-UHFFFAOYSA-N 223.615 2.292 0 40 BEAB in-vitro Cc1nc(Cl)nn1Cc1ccccc1 66442599 MVFBNSLNFBAYSD-UHFFFAOYSA-N 207.664 2.288 0 40 BEAB COc1ccccc1CSCc1ncnn1C 78984593 JVTJWUHATQIQPW-UHFFFAOYSA-N 249.339 2.257 0 40 BEAB O=C(O)C[C@@H](c1ccccc1)c1ncc[nH]1 82535256 HPPDDWHMYRPDSI-JTQLQIEISA-N 216.240 2.016 0 40 BEAB C/C=C/C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 83295319 CCCWVBDIDOTWGV-RSHKERQCSA-N 233.311 2.143 0 40 BEAB C[C@@H](N)c1nc(-c2c(F)cccc2F)no1 83322429 HHOIZGZMGOSHQV-RXMQYKEDSA-N 225.198 2.035 0 40 BEAB COCC(C)(C)NC(=O)Nc1cccc(F)c1 84326252 PASCEHVWCBJUMO-UHFFFAOYSA-N 240.278 2.372 0 40 BEAB CC[C@H](C(=O)O)N(C)Cc1nc(C)c(C)s1 87393135 XGZZSPAXCOHXAB-SECBINFHSA-N 242.344 2.055 0 40 BEAB CO[C@H]1CCCN(Cc2cccs2)C1 91772852 KQTTXNMQEDIVCX-JTQLQIEISA-N 211.330 2.359 0 40 BEAB c1cc2nc(C3CCCC3)n(C[C@H]3CO3)c2cn1 95096475 LEAQMMHRLHGKNI-NSHDSACASA-N 243.310 2.488 0 40 BEAB Cc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](C)N2 95471677 HMXQNWJJFLYVST-VXNVDRBHSA-N 234.328 2.442 0 40 BEAB CNc1cc(OCC(=O)OC)c(C)cc1Cl 95967149 SMHAMOONRWWGOZ-UHFFFAOYSA-N 243.690 2.242 0 40 BEAB C[C@H]1OCC[C@H]1Sc1ncc(Cl)cn1 95973769 BFUGTWSLJOARCO-HTRCEHHLSA-N 230.720 2.400 0 40 BEAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccoc1 96454452 OHUVNAZTIWFMJE-JQWIXIFHSA-N 237.299 2.071 0 40 BEAB CCC[C@H](NC(=O)C=C1CCCCC1)C(=O)O 97039180 BEHPBIIHOMGGLO-NSHDSACASA-N 239.315 2.246 0 40 BEAB CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@@H]2C(=O)NC(=O)[C@@H]21 100740620 QIHKOLSLJMRHDJ-WISYIIOYSA-N 233.311 2.054 0 40 BEAB O=C(O)c1cnc2c(Cl)ccc(F)c2c1O 101030496 LZPUCNVZDSVGRQ-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB CCOC(=O)c1sc(C)nc1OC(F)F 148787505 UGTRQOPMDNRNGL-UHFFFAOYSA-N 237.227 2.230 0 40 BEAB CC[C@H](NN)c1c(F)ccc(F)c1F 199535064 NLNBRHBPISWFJB-ZETCQYMHSA-N 204.195 2.018 0 40 BEAB C[C@H](O)CN(C)CC[C@H](C)c1ccccc1 225584977 AKXCCFVLJCTBRE-STQMWFEESA-N 221.344 2.493 0 40 BEAB CC[C@@H](C)n1c(CCOC)ccc1C(=O)O 226030463 IZMRHNVEKVTRBW-SECBINFHSA-N 225.288 2.346 0 40 BEAB COC(=O)c1cc2cc(C)ccc2nc1OC 242592207 OMKRUINMUWERCX-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB Cc1nn(C(C)C)cc1CNc1cnn(C)c1C 256050968 HFBDAVGQCXNQJV-UHFFFAOYSA-N 247.346 2.426 0 40 BEAB Cc1nnnn1Cc1ccc(Cl)cc1Cl 114693 GHLDWTLXIYSJPB-UHFFFAOYSA-N 243.097 2.337 0 40 BEAB CCN(CC)c1nc(Cl)nc(NC(C)C)n1 1635498 OWYWGLHRNBIFJP-UHFFFAOYSA-N 243.742 2.192 0 40 BEAB in-vitro COCCNC(=S)Nc1ccc(Cl)cc1 2982274 VUKHGHWXEFCIOW-UHFFFAOYSA-N 244.747 2.273 0 40 BEAB CNC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 12847190 YWVMDCVTSDNIGW-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB COCCNC(=O)c1cccc(C(F)(F)F)c1 13331987 ULJUWHHIYPIVBT-UHFFFAOYSA-N 247.216 2.082 0 40 BEAB CNc1nccc(-c2sc(C)nc2C)n1 13559857 RPXWUUDZINQPTJ-UHFFFAOYSA-N 220.301 2.259 0 40 BEAB O=C(Nc1ccnc(Cl)c1)c1ccccn1 13629234 RPMGZQSAVIPBMD-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB CC(=O)OCCc1c[nH]c2ccccc12 14517169 KAWBLROQFPLJEU-UHFFFAOYSA-N 203.241 2.274 0 40 BEAB biogenic,in-vitro COc1ccc(C(=O)N2CCCC[C@@H]2C)c(O)c1 19837065 OACHEMOEZZSLOW-JTQLQIEISA-N 249.310 2.415 0 40 BEAB Nc1cc(-c2ccncc2)sc1C(=O)O 20272882 KLKGICPGTDUYLZ-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB O=C(c1ccoc1)N1CCc2ccccc21 21278599 GMODKTBUKVSNNJ-UHFFFAOYSA-N 213.236 2.483 0 40 BEAB Cc1cccc(-c2ocnc2C(=O)O)c1 21986693 FBYNJPSNTIETJB-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB Cc1cn2nc(NCC(C)C)sc2n1 26691082 QDYFNMGIXPNUSP-UHFFFAOYSA-N 210.306 2.167 0 40 BEAB O=C(O)c1[nH]nc2ccc(C(F)(F)F)cc12 26894324 KEIWGKWVIMXMQT-UHFFFAOYSA-N 230.145 2.280 0 40 BEAB CCn1cc(NC(=O)c2ccccc2F)cn1 37501555 YBBWCBSFUVDAJK-UHFFFAOYSA-N 233.246 2.294 0 40 BEAB Clc1ccc(COC[C@@H]2CCNC2)cc1 42771977 KMNKCLSILVIZBZ-LLVKDONJSA-N 225.719 2.466 0 40 BEAB O=C(NCC1CC1)Nc1c(F)cccc1F 43265983 HXDZSUCSFHMESH-UHFFFAOYSA-N 226.226 2.496 0 40 BEAB COC(=O)c1cc(C)c2ncsc2c1 44713306 RNAFTDYJQDFPED-UHFFFAOYSA-N 207.254 2.391 0 40 BEAB in-vitro COC(=O)NC12CC[C@@H]3CC[C@H](CC1)C32 45069737 XRKQDMZKLRBVKI-GJYTXDDASA-N 209.289 2.311 0 40 BEAB CN(CCO)Cc1ccc(Cl)cc1Cl 49633343 PRLAHSRXYWJOBY-UHFFFAOYSA-N 234.126 2.418 0 40 BEAB Cc1cccc(CCNC2CCOCC2)c1 51669172 VLJQGULIRKLIRJ-UHFFFAOYSA-N 219.328 2.306 0 40 BEAB Cc1ccc(Cl)cc1N1CCN(C)CC1 60313069 CZDNHHVXXDEHKO-UHFFFAOYSA-N 224.735 2.400 0 40 BEAB COCCN(Cc1cc(C)no1)CC(C)C 61190027 NMNADODAMROPPH-UHFFFAOYSA-N 226.320 2.087 0 40 BEAB Cc1cc(CC(=O)Nc2ccccc2F)no1 62123979 LLAWOYDGIKGKNX-UHFFFAOYSA-N 234.230 2.303 0 40 BEAB O=c1ccccn1CCCOc1ccc(F)cc1 69807936 GPCBWAIGGWHSPY-UHFFFAOYSA-N 247.269 2.457 0 40 BEAB C[C@H](c1cccc(O)c1)N(C)Cc1nccn1C 71897183 RAVOAYFTXZVDCE-LLVKDONJSA-N 245.326 2.319 0 40 BEAB COc1ccc(-c2cc(O)on2)c(OC)c1 71976595 FTDWYNZQUDRISU-UHFFFAOYSA-N 221.212 2.064 0 40 BEAB O=C(O)c1c(C(F)(F)F)noc1C(F)F 78870098 RTZYVKPIMYRKID-UHFFFAOYSA-N 231.076 2.329 0 40 BEAB in-vitro Fc1cccc(CN[C@@H]2CCCOCC2)c1 83424804 BGNSMXJZUDYHKU-CYBMUJFWSA-N 223.291 2.484 0 40 BEAB CCC[C@H](C)CC(=O)N[C@@H](C)[C@@H]1CCCO1 84740120 KOEZMIJNCLOAJQ-SRVKXCTJSA-N 227.348 2.496 0 40 BEAB O[C@H]1Cc2ccccc2[C@@H]1NCc1cccs1 85334431 VXRCVOULUBFHKG-KBPBESRZSA-N 245.347 2.496 0 40 BEAB C[C@@H](Nc1cnn(C)c1)c1cscn1 95462742 AUDLRGCXQBCRQP-SSDOTTSWSA-N 208.290 2.050 0 40 BEAB COc1ccc([C@H](C)O[C@H]2CCNC2)cc1 96529878 LZEIWEBVEJSGNL-GWCFXTLKSA-N 221.300 2.135 0 40 BEAB Cc1ccccc1-n1nc2c(c1O)CCC2 100072155 YXDOSCZLHDZDAS-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB COc1ccccc1N/C(C)=C1\CCOC1=O 100295967 PWTMXXFSSKUZQM-MDZDMXLPSA-N 233.267 2.328 0 40 BEAB CC(=O)/N=c1/sccn1Cc1ccccc1 104097655 CEQJBLMZIODOCP-OUKQBFOZSA-N 232.308 2.045 0 40 BEAB NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 114566756 YNEJIZAVWXWMTA-BDAKNGLRSA-N 240.100 2.038 0 40 BEAB COC(=O)c1cc2cc(OC)ccc2cn1 115487583 GKRQHGXMVRSJTJ-UHFFFAOYSA-N 217.224 2.030 0 40 BEAB Nc1nc(Cl)c2c(-c3ccccc3)[nH]nc2n1 200044226 FYBBSLFJNIOTQW-UHFFFAOYSA-N 245.673 2.256 0 40 BEAB CC[C@@H](C)NC(=S)Nc1ncccc1C 225274067 QABYOVRSGJVMPC-SECBINFHSA-N 223.345 2.475 0 40 BEAB CC[C@](C)(CN[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H](C)O 245287337 CAKQDNXHLJAYON-XVIXHAIJSA-N 243.391 2.329 0 40 BEAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)C 408677258 AVJKMVXZBQKHGO-GFCCVEGCSA-N 221.300 2.241 0 40 BEAB NC[C@@H](Cc1nc2ccccc2[nH]1)C(F)(F)F 575422721 CFUNMTJZYVVVAV-SSDOTTSWSA-N 243.232 2.243 0 40 BEAB Cc1cc(O[C@@H](C)C(F)(F)F)n2nccc2n1 585655264 ZIUUFLFTVKLLKO-ZETCQYMHSA-N 245.204 2.367 0 40 BEAB CC(C)CCn1cc(Cl)c(C=O)n1 685936662 OLAPHVXGVWTPQE-UHFFFAOYSA-N 200.669 2.395 0 40 BEAB Cn1cc(-c2cncc3c2CCCC3)cn1 1775984680 UXVHJERIPYQNGD-UHFFFAOYSA-N 213.284 2.361 0 40 BEAB Cc1cc(C)n(-c2ccc(C3CC3)nn2)n1 1775995998 QHAYCNQGOJJKNZ-UHFFFAOYSA-N 214.272 2.157 0 40 BEAB CCO[P@@]1(=O)OC(C)(C)C[C@]1(C)O 2007427 GTQYAZQCUFLOCL-AMIZOPFISA-N 208.194 2.123 0 40 BEAB O=C(O)CCC(=O)c1cccc(F)c1F 2378713 PATZYYHWHZTOHO-UHFFFAOYSA-N 214.167 2.012 0 40 BEAB [O-][n+]1nc(Nc2ccccc2)nc2ccccc21 3851016 HBKCCWGTHWGRMZ-UHFFFAOYSA-N 238.250 2.007 0 40 BEAB CC(C)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851859 KFFDMFRQYDWNEB-UHFFFAOYSA-N 246.266 2.126 0 40 BEAB Cc1ccc(Cl)cc1N1CC[C@H](CN)C1 11891615 VVHVVRVZRPSGIS-SNVBAGLBSA-N 224.735 2.433 0 40 BEAB in-vitro C1CCCN(C[C@@H]2CCCCN2)CCC1 20266054 NOLHLBOSSOJEMB-ZDUSSCGKSA-N 210.365 2.395 0 40 BEAB Cc1cc(CN(C)C(=O)c2cc(C)oc2C)no1 25137389 HZJGNDPKIMGIHG-UHFFFAOYSA-N 248.282 2.465 0 40 BEAB CCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 25425826 XUJFXBUAGQUXFS-NSHDSACASA-N 239.702 2.170 0 40 BEAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 31036689 OVPSWWHKGXDZRQ-KBPBESRZSA-N 245.322 2.433 0 40 BEAB O=C(NOCc1ccccc1)NC1CCCC1 31037098 ANXMVTCBVWUJMC-UHFFFAOYSA-N 234.299 2.360 0 40 BEAB Fc1cc(-c2ccnc(Cl)n2)ccn1 32299537 FDEAZDLUUDWXIE-UHFFFAOYSA-N 209.611 2.331 0 40 BEAB CC(C)Cn1ncc(C(=O)O)c1C1CC1 36905556 VFNMMVCYCODIGI-UHFFFAOYSA-N 208.261 2.115 0 40 BEAB in-vitro CCNC(=O)Nc1cc(C(=O)O)ccc1Cl 36949243 VEKCCIHDXIRTDM-UHFFFAOYSA-N 242.662 2.180 0 40 BEAB CCCCc1ccc(NC(=O)CNC)cc1 37247434 DIMNXXNZEMNARV-UHFFFAOYSA-N 220.316 2.187 0 40 BEAB C[C@H](NC(=O)c1ncccc1O)c1cccs1 37760719 VEBNHZUYNSIFGC-QMMMGPOBSA-N 248.307 2.340 0 40 BEAB Nc1ccc(F)cc1C(=O)C(F)(F)F 38842830 YWPZGQVYRTUGEL-UHFFFAOYSA-N 207.126 2.153 0 40 BEAB Cc1c(C(=O)N(C)Cc2ccsc2)cnn1C 40025494 ZFZHJLJJWZVYJN-UHFFFAOYSA-N 249.339 2.062 0 40 BEAB COC1CCN(C(=O)c2ccc(C)s2)CC1 40477583 DJLMXVCDEUGOGG-UHFFFAOYSA-N 239.340 2.308 0 40 BEAB CC(C)c1nc([C@@H](N)Cc2ccccc2)n[nH]1 41161403 PBNHXEGDTZQTFW-NSHDSACASA-N 230.315 2.171 0 40 BEAB C[C@@H](Cn1cccn1)NCC1CCCC1 42319611 WKHFITYYBYSMCU-NSHDSACASA-N 207.321 2.051 0 40 BEAB O=C(O)C(=O)c1cccc(Cl)c1Cl 44226598 XXWXHMNWHCBTSG-UHFFFAOYSA-N 219.023 2.261 0 40 BEAB CC(C)C(=O)NCCSC1CCCC1 46450204 ZHWUKZPJLLWHBV-UHFFFAOYSA-N 215.362 2.434 0 40 BEAB C/C=C/C=C(\C)C(=O)N[C@H](CO)[C@H](C)CC 49601598 ZOKXIFXOULCJPE-HMOJZSFXSA-N 225.332 2.032 0 40 BEAB biogenic,in-vitro COc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 57159796 RKIBOGACQDOHDJ-JTQLQIEISA-N 221.300 2.470 0 40 BEAB O=C(c1cnn(-c2ccccc2)c1)N1CCCC1 57553818 VPUSPNRMFRHMTJ-UHFFFAOYSA-N 241.294 2.108 0 40 BEAB Cc1cc(NC(=O)[C@@H]2CCCO2)nc(C(C)C)n1 68905003 AWDGMRBYQMCOIV-JTQLQIEISA-N 249.314 2.026 0 40 BEAB CC(C)(C)CNC(=O)NC1CCSCC1 69629002 LYIKHQWQGTYCKO-UHFFFAOYSA-N 230.377 2.227 0 40 BEAB Cc1cccc(C(=O)N[C@H]2CNCC[C@@H]2C)c1C 71412513 BXPMLCHPRUILLL-FZMZJTMJSA-N 246.354 2.031 0 40 BEAB O=C(O)CCc1cccc(OC(F)F)c1 71867264 GWTSEGFRVOHJSG-UHFFFAOYSA-N 216.183 2.305 0 40 BEAB CCc1ccc(OC)c(C(=O)N2CCCC2)c1 72206450 XYSXCJRHNSNBSO-UHFFFAOYSA-N 233.311 2.494 0 40 BEAB CCCO[C@@H](C)c1ccc([C@H](N)CO)cc1 72220199 DFXQALFMJDURLV-GXFFZTMASA-N 223.316 2.166 0 40 BEAB O=S(=O)(Cc1ccc(F)cc1)C(F)(F)F 72266190 DKPSPNHMTRMLEU-UHFFFAOYSA-N 242.193 2.260 0 40 BEAB Cc1ncc(Cl)c(C(=O)OC[C@H]2C[C@H]2C)n1 76090300 GBJQZVCXGQGFRY-HTRCEHHLSA-N 240.690 2.251 0 40 BEAB CCCN(CC(=O)O)c1cc(C)ccc1OC 76619929 AVGMHFYCVAHERS-UHFFFAOYSA-N 237.299 2.305 0 40 BEAB CCOCCS(=O)(=O)c1cccc(Cl)c1 78978756 PMZMBWCUTBDTOB-UHFFFAOYSA-N 248.731 2.150 0 40 BEAB CC(=O)Oc1c(C)cc(Cl)cc1C=O 79235128 YJABRWNADBQCBX-UHFFFAOYSA-N 212.632 2.386 0 40 BEAB NCC(=O)Cc1ccc(Cl)c(Cl)c1 83324612 HJGOBKZHHSNNLM-UHFFFAOYSA-N 218.083 2.064 0 40 BEAB NCCc1ccc(Br)c(F)c1 84485261 OVPKYSNPCQCJRG-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB O=C(C1=CCCCO1)N1CC[C@@H]2CCCC[C@H]21 89818642 GANXLICJLUNNQW-NWDGAFQWSA-N 235.327 2.472 0 40 BEAB c1cc(SCCOC[C@H]2CCCO2)ccn1 89884989 GILHCLPYBIGWDT-LLVKDONJSA-N 239.340 2.369 0 40 BEAB CCc1ccc(CNc2nncs2)o1 95992254 OFCBEOSHNAEDRW-UHFFFAOYSA-N 209.274 2.306 0 40 BEAB CC(C)CN[C@H]1c2ccccc2[C@@H]2CNC[C@@H]21 96157377 VFTINDXPLPKLQE-KKUMJFAQSA-N 230.355 2.290 0 40 BEAB CCCc1csc(CCN2CCCC2=O)n1 96415073 HLXFTMUDTYKGOJ-UHFFFAOYSA-N 238.356 2.261 0 40 BEAB CCCCN(Cc1ccco1)C[C@H](C)N 96523895 UVMJFMOOCSKQQI-NSHDSACASA-N 210.321 2.229 0 40 BEAB O=C1OCC(C(F)(F)F)(C(F)(F)F)O1 143120068 BZJBWUBYTKRBIO-UHFFFAOYSA-N 224.056 2.017 0 40 BEAB CC1CCC2(CC1)[C@@H](N)C(=O)N2c1ccccc1 256050745 GIIPFMIJFGGMHJ-QRJNDHJOSA-N 244.338 2.309 0 40 BEAB CCC(CC)(CC)NC(=O)Cc1cncnc1 279411842 KMJUVPKZPWQSFT-UHFFFAOYSA-N 235.331 2.104 0 40 BEAB CCOC(=O)c1cc2c([nH]1)C(=O)CCCC2 1772715287 PPHLXUGBYPBUDO-UHFFFAOYSA-N 221.256 2.101 0 40 BEAB Cc1cc(C)nc(C(=O)Nc2cnc(C)s2)n1 1888863510 JEFUJFCOKYUMHW-UHFFFAOYSA-N 248.311 2.111 0 40 BEAB Cn1c(-c2ccccc2O)[n+](C)c2ccccc21 225660 WMJIOHLLKMHFGC-UHFFFAOYSA-O 239.298 2.375 0 40 BEAB CC1CCN(c2nc(Cl)ns2)CC1 232822 PVHQDSNOSYRABF-UHFFFAOYSA-N 217.725 2.428 0 40 BEAB CC(=O)Nc1ccc2c(C)cc(C)nc2n1 323072 RPFBSLILZOHULY-UHFFFAOYSA-N 215.256 2.205 0 40 BEAB CNc1ncnc2c1[nH]c1ccc(C)cc12 500546 YMBHOUXUIACOGW-UHFFFAOYSA-N 212.256 2.461 0 40 BEAB biogenic Cc1ccn(C(=O)CCc2ccccc2)n1 504481 KDUAXWRTVKZOKZ-UHFFFAOYSA-N 214.268 2.465 0 40 BEAB COc1cc(/C=C/c2cc[n+](C)cc2)ccc1O 1603409 KSBMSWVXSULCLG-UHFFFAOYSA-O 242.298 2.396 0 40 BEAB COC1=CC(=O)O[C@@H]([C@@H]2CC=CCC2)C1 1608657 CPFJREYMKODRII-MWLCHTKSSA-N 208.257 2.189 0 40 BEAB CCN[C@@H](Cc1ccccc1)[C@@H]1CCCO1 1708380 DOFCLOLKFGSRTG-KBPBESRZSA-N 219.328 2.386 0 40 BEAB in-man Cc1ccc(C(=O)CSc2ncn[nH]2)c(C)c1 2476921 NCKSUBZRCHEITP-UHFFFAOYSA-N 247.323 2.397 0 40 BEAB CCCCS[C@H]1C[C@@H](C)NC(=S)N1 2588194 BLQUFVLATCMVGG-SFYZADRCSA-N 218.391 2.102 0 40 BEAB CCc1ccc2c(c1)[C@H]1C[C@](C)(NC(=S)N1)O2 4484267 IYLSQGMFAWNLIA-ZWNOBZJWSA-N 248.351 2.267 0 40 BEAB CCNC(=O)CNc1cc(Cl)ccc1C 9315335 VJCIRHICPYCCIU-UHFFFAOYSA-N 226.707 2.196 0 40 BEAB Cc1c(Cl)cccc1NCC(=O)NC1CC1 10223231 PHAQMSZNENIBEE-UHFFFAOYSA-N 238.718 2.339 0 40 BEAB Cc1nnsc1-c1nc2ccccc2[nH]1 11535685 FWZDEPFNQLNFON-UHFFFAOYSA-N 216.269 2.390 0 40 BEAB CC(C)NC[C@@H](O)c1ccc(Cl)cc1 12359687 ODPACOSFGOJIQY-LLVKDONJSA-N 213.708 2.371 0 40 BEAB in-vitro CC(C)CCNC(=O)c1ccc2[nH]cnc2c1 13219120 AUEXQPCHKRYUMR-UHFFFAOYSA-N 231.299 2.339 0 40 BEAB CCOC(=O)[C@@](C)(F)C(=O)c1ccccc1 15442313 OFSFPYILRKIMON-LBPRGKRZSA-N 224.231 2.161 0 40 BEAB O=C(COc1cccc(F)c1)NCc1ccco1 17304927 ULRIHFAGLNZHAY-UHFFFAOYSA-N 249.241 2.114 0 40 BEAB COC[C@@H](C)NC(=O)Nc1cccc(Cl)c1 18177920 HSNAMDNCUGKZRX-MRVPVSSYSA-N 242.706 2.496 0 40 BEAB N[C@@H]1CCCC[C@H]1Oc1ccccc1F 19269880 QBRPQUPDBWIVMU-ZYHUDNBSSA-N 209.264 2.474 0 40 BEAB in-vitro C[C@H](N)[C@H](O)c1c(Cl)cccc1Cl 20216725 ZFDZETARMJTSGD-CDUCUWFYSA-N 220.099 2.374 0 40 BEAB in-vitro Cc1csc(NCc2ccccn2)n1 20556728 SYEGHKMKERHKPL-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB CC(C)CC[C@H](C)NC(=O)/C=C/c1cnn(C)c1 23258628 ZMGJIVISUSCTHE-GUOLPTJISA-N 249.358 2.374 0 40 BEAB Cc1noc2ncc(C(=O)N[C@H](C)C3CC3)cc12 25773411 HCFZHUPZTPPBKA-SSDOTTSWSA-N 245.282 2.060 0 40 BEAB NCC[C@H](O)c1c[nH]c2cc(Cl)ccc12 32629243 DRIFOIRAHAMTJC-NSHDSACASA-N 224.691 2.204 0 40 BEAB CCOC(=O)c1c[nH]cc1C(F)(F)F 32911376 OPRFQUCZHDBZHE-UHFFFAOYSA-N 207.151 2.210 0 40 BEAB in-vitro CCOC(=O)[C@H]1CCC(=O)c2cccc(F)c21 36439551 BXFOVUZVFGSDDJ-VIFPVBQESA-N 236.242 2.449 0 40 BEAB CNCc1nc2ccccc2n1C(C)C 36895973 OSJVIIZEKGZTHB-UHFFFAOYSA-N 203.289 2.337 0 40 BEAB CCOC(=O)CCN1CCCC[C@@H]1CC 37022150 SJHABLQGMCNJEF-NSHDSACASA-N 213.321 2.204 0 40 BEAB O[C@H]1CCC[C@@H]1N1CCCc2ccccc21 37489605 QUKWNFUUTBVFCD-KBPBESRZSA-N 217.312 2.353 0 40 BEAB Cc1nc(C)c(C(=O)Nc2cccnc2)s1 39538293 PHYLCRXAPFNSLZ-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB O=S(=O)(/C=C/c1ccccc1)N1CCCC1 40161410 VACRAHZRGQJRFS-DHZHZOJOSA-N 237.324 2.083 0 40 BEAB CC(C)C(=O)NCCO[C@@H]1CCCC[C@@H]1C 40534931 YUMPTQFITLTHSH-NWDGAFQWSA-N 227.348 2.354 0 40 BEAB Nc1ccnc(Sc2ccccn2)c1 43569675 FIPQHRLWKOVLQN-UHFFFAOYSA-N 203.270 2.210 0 40 BEAB in-vitro CC(C)OCCCNC(=O)CCc1ccco1 52894082 AXCLTPAOSLIYSS-UHFFFAOYSA-N 239.315 2.144 0 40 BEAB CC[C@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 58406225 ZSFDLEAGLNVITG-UONOGXRCSA-N 247.338 2.428 0 40 BEAB COc1ccc(C(=O)Nn2c(C)ccc2C)cc1 59549672 AYYZGYMSHYHIOC-UHFFFAOYSA-N 244.294 2.497 0 40 BEAB Cc1nnc(COc2ccc(F)c(F)c2)o1 62662000 NNRMVQMGUNTBQA-UHFFFAOYSA-N 226.182 2.235 0 40 BEAB CN(C)C(=O)CCc1cc2ccccc2o1 69325585 MHSMFQWRINCBFY-UHFFFAOYSA-N 217.268 2.454 0 40 BEAB O=C(N[C@@H]1CCCc2occc21)C1CC1 70250673 WLVVDNYQVVUUSL-SNVBAGLBSA-N 205.257 2.183 0 40 BEAB COc1cc(C)c([C@H]2CCCCN2C=O)cn1 72218049 BHIXJWYAGUGYAA-GFCCVEGCSA-N 234.299 2.082 0 40 BEAB CCCN(CCC)c1cc(C)c(CN)cn1 72223283 CSQCJRAYYXYECE-UHFFFAOYSA-N 221.348 2.475 0 40 BEAB Cc1nccn1-c1cccc([C@H]2CCCN2)n1 72355930 KNUWXIWCRCDCSN-LLVKDONJSA-N 228.299 2.000 0 40 BEAB CNC(=O)N[C@H](C)c1c(F)cccc1Cl 81478430 OAEHBJJGHUDDNM-ZCFIWIBFSA-N 230.670 2.469 0 40 BEAB CCOC(=O)[C@H]1CC[C@@H](c2ccccc2)NC1 82299882 VRIDQIGLSYHFCH-STQMWFEESA-N 233.311 2.290 0 40 BEAB COc1ccc(F)c(/C=C/C(=O)O)c1F 83293615 PUBKIZCUSKJGLO-GORDUTHDSA-N 214.167 2.071 0 40 BEAB CCCN(CC)Cc1c(C)nn(C)c1C 89958864 GXKZABQKHSKAEY-UHFFFAOYSA-N 209.337 2.269 0 40 BEAB Cc1cc(F)ccc1OCCC1OCCO1 95734108 BMMDHZUPELQLHZ-UHFFFAOYSA-N 226.247 2.276 0 40 BEAB CO[C@H](CNC(=O)C1CCC1)c1ccsc1 96097362 RFYVDFGFIZWIPD-LLVKDONJSA-N 239.340 2.352 0 40 BEAB OC[C@]1(NCc2ccco2)CCc2ccccc21 96483074 CAMDWOBSWPTLLR-OAHLLOKOSA-N 243.306 2.203 0 40 BEAB Cn1cccc/c1=N\C(=S)Nc1ccccc1 100019082 UQBBBRQRNHQHRL-NTCAYCPXSA-N 243.335 2.323 0 40 BEAB Cn1nc(-c2ccc(Cl)cc2)cc1O 100221185 NUEHXBGHKXUYHU-UHFFFAOYSA-N 208.648 2.446 0 40 BEAB CCN(CC)c1ccc(N)cc1NC(C)=O 146490992 RTLPDRIXHOKBDO-UHFFFAOYSA-N 221.304 2.073 0 40 BEAB Cc1occc1Sc1ncnc2c1cnn2C 195566593 WXFWLUCBXNQPLD-UHFFFAOYSA-N 246.295 2.416 0 40 BEAB CCNC(=O)CNc1nc(C)cc2ccccc12 195571574 BHMCPSJLVOKARJ-UHFFFAOYSA-N 243.310 2.091 0 40 BEAB CCOc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)OC)cc1 217821634 CZERNZFLRWFAKA-VXGBXAGGSA-N 248.278 2.077 0 40 BEAB CCOC(=O)[C@@H]1CCN[C@@H]1c1ccccc1F 257197796 JMCPIUDWVVPLKP-ZYHUDNBSSA-N 237.274 2.039 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@H]1[C@H]2CNC[C@H]21 263584193 LWULXJSEMSUKBR-JEWKUQAESA-N 237.387 2.275 0 40 BEAB CC(C)c1nnc(N2CCSC[C@H]2C)o1 336196108 RYRSFPFBLJYEQF-MRVPVSSYSA-N 227.333 2.135 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC(=O)C12CCC2 390822225 WAWMGPASQBFAMC-MRVPVSSYSA-N 225.288 2.023 0 40 BEAB CC(C)(C)OC(=O)c1cc(Br)n[nH]1 575432246 VPIWWRZZTQAJFT-UHFFFAOYSA-N 247.092 2.128 0 40 BEAB CC(=O)Oc1ccccc1Br 1596298 BEHBHYYPTOHUHX-UHFFFAOYSA-N 215.046 2.374 0 40 BEAB biogenic,in-vitro C[C@@H](NCNc1ccc2ccccc2c1)C(=O)O 2028934 ZYBUKDDPDSFHHK-SNVBAGLBSA-N 244.294 2.272 0 40 BEAB c1cc2c(cc1[C@H]1CCCN1)OCCCO2 3378465 SNPSPEIXROBWHN-LLVKDONJSA-N 219.284 2.272 0 40 BEAB CC(C)/C=C(\NC(=O)c1ccccc1)C(=O)O 3850373 ISSHWTGIRNIHQM-FLIBITNWSA-N 233.267 2.041 0 40 BEAB Cc1ccc([C@H](N)CC(=O)OC(C)C)cc1 4219125 DZUYKKPEUUMDHS-GFCCVEGCSA-N 221.300 2.337 0 40 BEAB in-vitro C[C@H]1C[C@@H](c2ccccc2)C(=O)CN1C 4692453 YFDVANILCDHZCK-JQWIXIFHSA-N 203.285 2.063 0 40 BEAB O=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 5001796 ATPXZVQETNPJTK-UHFFFAOYSA-N 246.266 2.143 0 40 BEAB COCCOCc1ccc(O)c2ncccc12 5526508 QGCRVXQZQUHVNX-UHFFFAOYSA-N 233.267 2.103 0 40 BEAB Cc1cc2nc3n(c2cc1C)C(=O)CS3 5541725 QYDHYAYKZOMLEP-UHFFFAOYSA-N 218.281 2.399 0 40 BEAB Cc1cccc(C)c1OCC(=O)NC(C)C 5619934 RNKMYJWUXUXDBK-UHFFFAOYSA-N 221.300 2.207 0 40 BEAB C[C@H](OC(=O)[C@H]1C[C@@H]1C)C(=O)Nc1ccccc1 5699767 MTMNVCRGENNVIW-NHCYSSNCSA-N 247.294 2.213 0 40 BEAB Nc1nc(CN2CCCCCC2)cs1 9118007 ZCBKPRJKVXIJKU-UHFFFAOYSA-N 211.334 2.101 0 40 BEAB in-vitro CCN(CC)CCOc1cccc(C=O)c1 9261363 ZTYOHCWQWNLXTD-UHFFFAOYSA-N 221.300 2.220 0 40 BEAB CCNC(=O)NCCc1ccc(Cl)cc1 9513454 AXXHVEIAFOVQCW-UHFFFAOYSA-N 226.707 2.202 0 40 BEAB COC(=O)c1ccc(NC(=O)c2ccoc2)cc1 12822181 NHUJZXMHDIOGPI-UHFFFAOYSA-N 245.234 2.319 0 40 BEAB NC1(Cc2ccc(Cl)cc2)CCOCC1 16764320 SANAZCYYPPPGIT-UHFFFAOYSA-N 225.719 2.390 0 40 BEAB COC[C@@H](C)NC(=O)Nc1ccc(C)cc1 18177924 UPJZPOIEXWJJKZ-SNVBAGLBSA-N 222.288 2.151 0 40 BEAB CC[C@@H](C)[C@H](C)NCc1nnc2ccccn12 20185720 BCVCKJNRIKGFEY-MNOVXSKESA-N 232.331 2.254 0 40 BEAB C[C@@H](O)c1cc(Br)ccc1O 21952743 GYAGFKJTZFIQOE-RXMQYKEDSA-N 217.062 2.208 0 40 BEAB NCc1ccc(N2CCc3ccccc32)nc1 22210312 AQONBFGUFWKYPR-UHFFFAOYSA-N 225.295 2.235 0 40 BEAB C[C@H](CN1CCCCC1)N1CCCCC1 22859357 CKFAMVRZYMQMFF-CYBMUJFWSA-N 210.365 2.347 0 40 BEAB COC(=O)Cn1c(-c2ccccc2)c[nH]c1=S 26424310 DLUXLZQETGACTB-UHFFFAOYSA-N 248.307 2.386 0 40 BEAB Nc1cc(C(F)(F)F)c2[nH]c(=O)ccc2c1 26474997 IUGBVRLFSIWIIQ-UHFFFAOYSA-N 228.173 2.129 0 40 BEAB CC(=O)CCC[C@@H]1Cc2cccc(O)c2C(=O)O1 31155701 KEYNBOUNPFJEST-LLVKDONJSA-N 248.278 2.233 0 40 BEAB biogenic,in-vitro Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)s1 32865171 FUFYMAWEXNDWQW-MRVPVSSYSA-N 239.340 2.226 0 40 BEAB C[C@@H]1CCCN(C(=O)CCc2ccco2)C1 32873655 JXHREVOMJPSJNB-LLVKDONJSA-N 221.300 2.471 0 40 BEAB Cc1ccc(N2CC[C@@H](N)C2)cc1Cl 33427016 VDWJKKWVORJVSP-SECBINFHSA-N 210.708 2.186 0 40 BEAB CCc1cc(C(=O)NCCCOC)sc1C 36396947 DZGKTUOYCOSBAH-UHFFFAOYSA-N 241.356 2.385 0 40 BEAB N[C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1 36949520 UAGDEFASIGENRD-GJZGRUSLSA-N 227.307 2.290 0 40 BEAB in-vitro C=CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 37012522 KXXKPDSGQYBHOZ-SFYZADRCSA-N 221.222 2.410 0 40 BEAB O=C(O)[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 37380680 HRUXUHQNXUDJEP-NWDGAFQWSA-N 228.251 2.060 0 40 BEAB CCCNC1CCN(c2cc(C)nc(C)n2)CC1 37756703 ZOTPPWKZZNOSMG-UHFFFAOYSA-N 248.374 2.062 0 40 BEAB O=C1[C@H]2CCC[C@@H]1C[C@@H]1CCCC[C@]12O 38545476 PDLKQXJZJXLNBA-XZUYRWCXSA-N 208.301 2.297 0 40 BEAB CCc1noc(CN2C[C@@H](C)C[C@@H](C)C2)n1 40489571 BVDLLUDDKZKNFM-AOOOYVTPSA-N 223.320 2.110 0 40 BEAB CCOC(=O)c1cc(O)c2cc[nH]c2c1 44699946 WKJZWTBZQAKTBO-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB in-vitro COC[C@@H](C)Nc1cccc(Cn2cccn2)c1 53174295 YKEXLMDTJCWFMZ-GFCCVEGCSA-N 245.326 2.378 0 40 BEAB COc1ccnc(Sc2nccn2C2CC2)n1 54886557 XQLJAVZDOFTANN-UHFFFAOYSA-N 248.311 2.168 0 40 BEAB Cc1nc(-c2ccc(Cl)nc2)[nH]c(=O)c1C 57218761 HFEWMDDRXCGWSG-UHFFFAOYSA-N 235.674 2.102 0 40 BEAB CCCNC(=O)NCCc1ccccc1F 60474590 ZYBFZAVBPYOQLD-UHFFFAOYSA-N 224.279 2.077 0 40 BEAB O=C(O)c1coc(C2(c3ccccc3)CC2)n1 61624409 QVRGYNHYFOABCH-UHFFFAOYSA-N 229.235 2.453 0 40 BEAB in-vitro COc1ccc(-c2cccnc2N)cc1OC 70318451 RVZRUAOZBBCTBE-UHFFFAOYSA-N 230.267 2.348 0 40 BEAB C[C@@H](N)c1ccc(N2CCCCC2)nc1 72225454 AYBWPAXQOALFDK-SNVBAGLBSA-N 205.305 2.092 0 40 BEAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C 72750055 ROGQFNHUABXLTC-SSDOTTSWSA-N 245.681 2.335 0 40 BEAB CCOC(=O)CCOc1c(F)cccc1F 75881244 RYCMQJURIMNUIT-UHFFFAOYSA-N 230.210 2.297 0 40 BEAB CC[C@H](c1ccccc1)N(C(=O)CN)C1CC1 79421178 LQPYDHWFVPEZDN-CYBMUJFWSA-N 232.327 2.087 0 40 BEAB C/C=C/C(=O)Nc1n[nH]c2cccc(F)c12 82275485 KRRVLFAMNWIDEK-DUXPYHPUSA-N 219.219 2.217 0 40 BEAB Cc1cc2c(c(=O)[nH]1)[C@H](CC(C)C)CC(=O)O2 85878963 JCLLXRPREWBASL-SECBINFHSA-N 235.283 2.122 0 40 BEAB biogenic C[C@]1(CO)CCC[C@@H]1NC[C@H]1CC=CCC1 95434053 QXBYIUQPTPHDFP-MELADBBJSA-N 223.360 2.483 0 40 BEAB CC1(C)O[C@H]2CN(Cc3ccccc3)C[C@H]2O1 95933006 BJYOPFBJOFXNPU-BETUJISGSA-N 233.311 2.022 0 40 BEAB Cc1ocnc1C(=O)Nc1ccc(O)cc1F 97080051 JHPIFYJHMWSWND-UHFFFAOYSA-N 236.202 2.080 0 40 BEAB Cc1cc(C)n(Cc2nnc(C(C)(C)C)o2)n1 98016418 PWINGFMPLDALAE-UHFFFAOYSA-N 234.303 2.229 0 40 BEAB Cn1cc(Cc2ccc(Cl)cc2)nc1N 199550927 YCISZMQBHCJYJH-UHFFFAOYSA-N 221.691 2.247 0 40 BEAB O[C@@H]1CCCC[C@@H]1N1CCc2sccc2C1 216478512 ALWUJNWBDWOKIF-NWDGAFQWSA-N 237.368 2.410 0 40 BEAB Cc1nc(Oc2ccccc2)nc(C)c1N 217513560 XECDQKOZIFHTDQ-UHFFFAOYSA-N 215.256 2.468 0 40 BEAB C[C@H](O[C@@H]1CCNC1)c1cnccc1Cl 252497800 QQODXIPCGBFVFU-DTWKUNHWSA-N 226.707 2.175 0 40 BEAB FCCn1nccc1CNCc1ccccc1 256050573 FOWSWOHJQIOHGD-UHFFFAOYSA-N 233.290 2.142 0 40 BEAB Cc1cc(NCCc2ccccc2)nn1C 256051950 LFYXCXXQBLXBOL-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB CCCn1ccc(CNCc2ccco2)n1 256053657 SHNGQSIBLQJGMW-UHFFFAOYSA-N 219.288 2.176 0 40 BEAB O=C(O)c1cc2c[nH]nc2cc1Br 259304255 DTFKBHBYURLCSK-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C1[C@@H]2CNC[C@@H]12 263584192 LWULXJSEMSUKBR-HVNMYJMUSA-N 237.387 2.275 0 40 BEAB CCOC(=O)c1ccc(C(=O)[C@@H](C)Cl)o1 389390259 VKJUXXDJWKDXPC-ZCFIWIBFSA-N 230.647 2.266 0 40 BEAB O[C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1 187720 FIIZCXABWYGMAX-SECBINFHSA-N 249.163 2.201 0 40 BEAB CNC(=O)CCSc1ccc(C)cc1 382495 PSMNGKPGUXXDSA-UHFFFAOYSA-N 209.314 2.223 0 40 BEAB COc1ccc(OC)c2c1nc1n2CCS1 384846 LSGXWVTVNWFFOI-UHFFFAOYSA-N 236.296 2.159 0 40 BEAB C[C@]12CCC(=O)N1[C@H](c1ccccc1)CO2 1081372 JVEHIYMWPAQEIR-AAEUAGOBSA-N 217.268 2.097 0 40 BEAB CCOC(=O)C(C)(C)C(C)(C)C(=O)OCC 1719017 DRVYAVWIBGKJNA-UHFFFAOYSA-N 230.304 2.165 0 40 BEAB CCNC(=S)NNc1ccc(C)cc1C 3261061 LQEKTQRTMCYRCS-UHFFFAOYSA-N 223.345 2.114 0 40 BEAB C/C=C(\C)c1cnc(CC(C)C)c(=O)[nH]1 8627900 CPEXOOKUZLOULG-WEVVVXLNSA-N 206.289 2.392 0 40 BEAB O=C(O)c1ccc(CSc2cncnc2)o1 9879513 VOJDKQWDVRUJSK-UHFFFAOYSA-N 236.252 2.060 0 40 BEAB Sc1nnc(NCc2ccco2)s1 13796895 XEYQHDFSWLWGDC-UHFFFAOYSA-N 213.287 2.032 0 40 BEAB in-vitro COCCCNCc1cccc2[nH]ccc12 15423530 SDOPOUXCWBEYMJ-UHFFFAOYSA-N 218.300 2.294 0 40 BEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccccc1 17975706 KQVNCFJZEZPYOS-BETUJISGSA-N 241.290 2.138 0 40 BEAB C[C@H]1CN(c2ccccc2C=O)C[C@H](C)O1 20078945 JSCXWWYPBOWKLA-QWRGUYRKSA-N 219.284 2.113 0 40 BEAB in-vitro O=C(c1ncoc1-c1ccco1)N1CCCC1 21642009 SAVMGVCSRHYXFW-UHFFFAOYSA-N 232.239 2.171 0 40 BEAB CCc1c([C@@H](C)NCC(N)=O)oc2ccccc12 22150753 ACTCSCRWHHYBRO-SECBINFHSA-N 246.310 2.131 0 40 BEAB c1ccc(CNc2ncnc3nccnc23)cc1 27817526 YLECTRJPYHUCFK-UHFFFAOYSA-N 237.266 2.032 0 40 BEAB O=C(NC[C@@H](O)c1ccccc1)C1CCCC1 35108713 AGVHLORPMNMHGC-CYBMUJFWSA-N 233.311 2.026 0 40 BEAB CCCc1nc(C(=O)O)nn1-c1ccccc1F 36879357 YUZVZTHGYJRXBT-UHFFFAOYSA-N 249.245 2.057 0 40 BEAB in-vitro Brc1ncnc2ccsc12 37239135 DNTCHXURFZZYED-UHFFFAOYSA-N 215.075 2.454 0 40 BEAB in-vitro Cc1cc(Cl)n2ncc(Br)c2n1 39200790 UWDQBDDYGGYXPJ-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB Cc1cc(SCc2nnc(C)o2)nc(C)n1 40090166 XTYWSWDHVVUGMC-UHFFFAOYSA-N 236.300 2.077 0 40 BEAB CCONC(=O)Cc1c(F)cccc1Cl 40489215 YXJRCKZGSNBVQK-UHFFFAOYSA-N 231.654 2.089 0 40 BEAB O=C(CC(F)(F)F)NCCc1cccc(F)c1 40490344 GJRCDSZCWXWGSO-UHFFFAOYSA-N 249.207 2.437 0 40 BEAB Cc1ccc(C[C@H](C(=O)O)N2CCCCC2)cc1 41299184 ALTMRWRAMBNEEP-CQSZACIVSA-N 247.338 2.477 0 40 BEAB O=C(CCc1ccccc1)NCC(F)(F)F 42236830 IARDRLXTNBMSHB-UHFFFAOYSA-N 231.217 2.298 0 40 BEAB CSCc1cc(=O)n2cc(Cl)ccc2n1 47895738 CYLOZJQRDXWVFV-UHFFFAOYSA-N 240.715 2.211 0 40 BEAB Cc1cc(C)n(CC(=O)N(C)C2CCCCC2)n1 48326057 YOODPKIXUPVIIE-UHFFFAOYSA-N 249.358 2.291 0 40 BEAB Brc1ccc([C@@H]2NCCS2)o1 50522688 YFFNWJYJTWVXIZ-SSDOTTSWSA-N 234.118 2.377 0 40 BEAB Cc1n[nH]cc1CNC(=O)/C=C/c1ccsc1 69670014 PTQKEMNVQBAVIU-NSCUHMNNSA-N 247.323 2.109 0 40 BEAB Cc1ccc(C(=O)N[C@@H]2CNCC[C@@H]2C)c(C)c1 71412549 WNJIJOSNQSMENH-SMDDNHRTSA-N 246.354 2.031 0 40 BEAB CCOC(=O)c1ccnn1-c1ccccc1F 72190616 OSOLUXXFGFTNDS-UHFFFAOYSA-N 234.230 2.188 0 40 BEAB Cc1cc(C(=O)O)cnc1N1CCCCC1 72221133 SDLVMAQERRVPQO-UHFFFAOYSA-N 220.272 2.079 0 40 BEAB CC(C)n1cc(CNc2ccccn2)cn1 72226473 YGBJVERAIPYBJR-UHFFFAOYSA-N 216.288 2.471 0 40 BEAB O=C(CCc1ccc[nH]1)NCc1ccccc1 74682179 KEADIIBCVKTSIM-UHFFFAOYSA-N 228.295 2.264 0 40 BEAB O=C(O)[C@H]1CCc2cccc3[nH]cc1c23 75601875 VMNAXVYYDNIJGU-QMMMGPOBSA-N 201.225 2.282 0 40 BEAB CCOC(=O)CC(=O)[C@@H]1C[C@H]1c1ccccc1 82055268 IQYXQOWNRBJGSQ-NWDGAFQWSA-N 232.279 2.312 0 40 BEAB OC1C[C@@H]2CC[C@H](C1)N2CC1CCCC1 82598058 AASFCMMDTZVNFT-FUNVUKJBSA-N 209.333 2.164 0 40 BEAB Cc1cc(F)ccc1-c1cc(N)ncn1 84026347 YBDHEHSGYKFKPP-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB C1CC(CN2CCCC[C@H]2C2OCCO2)C1 89819026 PJGOBAGUOCUJKP-LBPRGKRZSA-N 225.332 2.014 0 40 BEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1nc(C2CC2)no1 89917626 OMPZXOQPZZIHMZ-BBBLOLIVSA-N 249.314 2.172 0 40 BEAB Cc1ccccc1CC1CN(c2ncccn2)C1 95412186 SDLHWXDHBLGDLZ-UHFFFAOYSA-N 239.322 2.464 0 40 BEAB CC1CCC(CNC[C@@]2(O)CCSC2)CC1 95449346 XUOWUNOLJFUJQY-BPCQOVAHSA-N 243.416 2.270 0 40 BEAB OC[C@H]1CCC[C@@H]1Nc1nc2ccccc2[nH]1 95977451 WNWDHPOQAAXGTN-ZJUUUORDSA-N 231.299 2.136 0 40 BEAB O[C@H]1CCC[C@H]1Nc1ccncc1Cl 97104650 QIQBHGUBPIHVQU-ZJUUUORDSA-N 212.680 2.060 0 40 BEAB Cc1ncccc1CN1CCN(C)C[C@@H]1C(C)C 97139294 IQDAXXSRUQCDRA-OAHLLOKOSA-N 247.386 2.162 0 40 BEAB O=C(O)[C@H]1CC[C@H](Nc2ccccc2)C1 114099947 OMPZEVZQYNKGJO-ONGXEEELSA-N 205.257 2.352 0 40 BEAB CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)Cn1cncn1 195575919 JXFJHOQYKWQYRZ-IHRRRGAJSA-N 248.374 2.249 0 40 BEAB C[C@@H]1O[C@H](CCN)C[C@@H]1Cc1ccccc1 225750409 SKEWEKXQTREGSI-FPMFFAJLSA-N 219.328 2.372 0 40 BEAB CC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 225815698 UTOIPDGHHJEUQB-UHFFFAOYSA-N 223.178 2.009 0 40 BEAB C[C@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 257830940 IYOZTVGMEWJPKR-SRVKXCTJSA-N 247.342 2.174 0 40 BEAB O=C(NC1CCC1)c1cc2ccccn2c1 266862231 USLSQKSEMYGRID-UHFFFAOYSA-N 214.268 2.222 0 40 BEAB Cc1nnc(CN[C@@H](C)c2cnccc2C)s1 543739629 JHVMWTUDWVEWHM-VIFPVBQESA-N 248.355 2.401 0 40 BEAB Cc1cccc([C@H](C)Nc2cc(=O)n(C)cn2)c1 656198383 SIYXNWLPOFJZIA-NSHDSACASA-N 243.310 2.262 0 40 BEAB CC(C)n1nc(N)cc1C(=O)OC(C)(C)C 685936296 OWYSAVTZVJLXKC-UHFFFAOYSA-N 225.292 2.002 0 40 BEAB CCS(=O)(=O)Nc1cc(C)ccc1C 482774 KGDNZSARZOGTCT-UHFFFAOYSA-N 213.302 2.065 0 40 BEAB Cc1cc2c(cc1C)CN(CCC(=O)O)C2 559709 FLUUQHHMMLCYCD-UHFFFAOYSA-N 219.284 2.094 0 40 BEAB CC1CCN(c2ccc(N)c3nonc23)CC1 799388 IHTLOWXNHALNGG-UHFFFAOYSA-N 232.287 2.041 0 40 BEAB COc1cc2nncc(Cl)c2cc1OC 1670612 JVGQUQXHEOMDOS-UHFFFAOYSA-N 224.647 2.300 0 40 BEAB CC(C)(C)NC(=S)NC1CCCC1 2346382 YPYMYGOFTCUHAU-UHFFFAOYSA-N 200.351 2.192 0 40 BEAB Cc1cccc(NC(=O)COC(=O)C2CC2)c1C 3392829 HVUCIJHYLPOKBC-UHFFFAOYSA-N 247.294 2.195 0 40 BEAB Cc1cc(C)cc(-c2nnc(N)s2)c1 3716253 NMUYFXIGDRWUJS-UHFFFAOYSA-N 205.286 2.404 0 40 BEAB in-vitro C1CN(C23CC4CC(CC(C4)C2)C3)CCO1 4676514 PHYMGSYTSUESSU-UHFFFAOYSA-N 221.344 2.287 0 40 BEAB CCOc1ccc(C(=S)N(C)C)cc1OC 9188221 ITVIHINMPYXVMG-UHFFFAOYSA-N 239.340 2.331 0 40 BEAB CC(=O)c1ccc(NC(=O)c2ccno2)cc1 10254034 BFFLSNBCLNYOSO-UHFFFAOYSA-N 230.223 2.130 0 40 BEAB CSc1nc(C(C)C)nc(C)c1C(=O)O 12769728 XALUAHKMELSHCZ-UHFFFAOYSA-N 226.301 2.329 0 40 BEAB in-vitro Fc1ccc2[nH]cc([C@@H]3CCNC3)c2c1 13806188 ZWQBLJKCRPTUSP-MRVPVSSYSA-N 204.248 2.384 0 40 BEAB O=C(Cc1cccc(F)c1)NCc1ccncc1 19934888 UBKNCXDAQWEPRZ-UHFFFAOYSA-N 244.269 2.080 0 40 BEAB Brc1cccc([C@H]2CNCCO2)c1 20269162 ZAFIQPSQXJOTKS-SNVBAGLBSA-N 242.116 2.110 0 40 BEAB in-vitro Cc1ccc(-c2cc(CCN)no2)cc1C 20270377 KNJNHQLFHNPFDL-UHFFFAOYSA-N 216.284 2.460 0 40 BEAB CC(=O)CCc1ccc(O[C@@H](C)C(=O)O)cc1 22147432 GYDOYXODECNPER-JTQLQIEISA-N 236.267 2.060 0 40 BEAB C[C@H](Cn1cccn1)NC(=O)Nc1ccccc1 27355702 BIGZCKUASAYEFZ-LLVKDONJSA-N 244.298 2.093 0 40 BEAB CC(=O)CCC[C@H]1Cc2cccc(O)c2C(=O)O1 31155706 KEYNBOUNPFJEST-NSHDSACASA-N 248.278 2.233 0 40 BEAB biogenic,in-vitro CCCCCOc1cccc(C(N)=O)c1 33433110 NFXOVWXBSNCJHL-UHFFFAOYSA-N 207.273 2.355 0 40 BEAB COCCSc1ccc([C@@H](C)N)cc1 35322057 ILSISFPAOKEPMC-SECBINFHSA-N 211.330 2.445 0 40 BEAB in-vitro Cc1noc(CSc2ccccn2)n1 36396552 NQSHRSKZXUPOEE-UHFFFAOYSA-N 207.258 2.065 0 40 BEAB Cc1noc(CCCC(=O)Nc2ccccc2)n1 41618588 IJAHMCVVVIZPOS-UHFFFAOYSA-N 245.282 2.339 0 40 BEAB CCCc1nc(CN2CCC[C@@H](O)C2)cs1 42651834 WHGNSCDPKMAVIX-LLVKDONJSA-N 240.372 2.052 0 40 BEAB CCOC(=O)c1noc(-c2ccc(C)cc2)n1 43179011 DQFKPTDDJPQNPY-UHFFFAOYSA-N 232.239 2.222 0 40 BEAB CCOC(=O)c1cnccc1Br 49587163 UOBGHESMEIUDKB-UHFFFAOYSA-N 230.061 2.021 0 40 BEAB CCCC(=O)N1CCCC[C@H]1CCC(=O)O 50921309 VAGIPZMCNVQVBI-JTQLQIEISA-N 227.304 2.032 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)c1csc(N)n1 55177432 VLMAQIPKRMWBRL-JGVFFNPUSA-N 239.344 2.034 0 40 BEAB CCC(=O)N[C@H]1CCCOc2ccccc21 58343380 FMYOLBFSOWFBGY-NSHDSACASA-N 219.284 2.427 0 40 BEAB COCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 71998188 WEVCSVVJYYKSOZ-IJLUTSLNSA-N 242.363 2.099 0 40 BEAB CC(=O)N1CCC[C@H]1c1ccc(C)nc1 72211232 YYDXESIPAUSLNN-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB Cc1cc([C@H](C)N)cnc1N1CCCC1 72222441 DHQMVGZNGUWMIG-JTQLQIEISA-N 205.305 2.010 0 40 BEAB CCC(=O)OCc1cccc(N(C)C)c1 72295931 DLQKEFUQOASAKO-UHFFFAOYSA-N 207.273 2.206 0 40 BEAB CN1CCC[C@H](Cc2nccnc2Cl)CC1 72343824 VYLMKMITNSQVIS-JTQLQIEISA-N 239.750 2.404 0 40 BEAB CCOC[C@H](O)CN1[C@H]2CCCC[C@@H]2C[C@H]1C 75838052 KUHYGFZTKSQOJJ-SYQHCUMBSA-N 241.375 2.037 0 40 BEAB C[C@@H](O)c1cccc(OCc2ccon2)c1 84656275 CSETXJQBFGTTSF-SECBINFHSA-N 219.240 2.307 0 40 BEAB CC(C)(C)OC(=O)N1CCc2cc(CN)ccc21 89209533 GTEVTJRBLUFOKF-UHFFFAOYSA-N 248.326 2.443 0 40 BEAB O=C(c1cccnc1)N1C[C@@H]2CC=CC[C@H]2C1 89793923 MEVOERMGEUBWFW-STQMWFEESA-N 228.295 2.120 0 40 BEAB c1ccc(CN2CCCSCC2)nc1 91985783 DRQCGPMKJBEDNN-UHFFFAOYSA-N 208.330 2.021 0 40 BEAB Nc1cc(C(F)(F)F)cc(Br)n1 95930376 RVZCVBCVYJFUTD-UHFFFAOYSA-N 241.010 2.445 0 40 BEAB in-vitro OCCN(Cc1ccco1)c1ccccc1 95963686 DKDXMKIFTLIXHA-UHFFFAOYSA-N 217.268 2.279 0 40 BEAB c1cn(CCSC[C@H]2CCCOC2)cn1 95976703 UCLJSICTVKOPNM-NSHDSACASA-N 226.345 2.043 0 40 BEAB CCN(CC[C@@H](N)C(C)C)Cc1ccncc1 96523801 NTKBNNVXCPVXJR-CQSZACIVSA-N 235.375 2.277 0 40 BEAB C[C@]12CC3(N)CC(C(=O)O)(C1)C[C@](C)(C3)C2 100018477 VGTIAGCVYBEACG-OKZRHMCRSA-N 223.316 2.149 0 40 BEAB O=C1N[C@@H](Cc2ccc3ccccc3c2)C(=O)O1 147021284 VNCCQSJPZUPNPD-LBPRGKRZSA-N 241.246 2.017 0 40 BEAB O=C(O)CCc1conc1-c1cccc(F)c1 169676689 KFCFJEYKTCJXBT-UHFFFAOYSA-N 235.214 2.498 0 40 BEAB COC(=O)[C@@]1(C)CC[C@](C)(C(=O)OC)C1(C)C 217719672 VCILIHQXYYGSBR-CHWSQXEVSA-N 242.315 2.165 0 40 BEAB C[C@@H](NC[C@H]1CCCO1)c1ccccc1N 225817090 HSDABBKNINJUIG-GHMZBOCLSA-N 220.316 2.098 0 40 BEAB CCOC(=O)c1ccn2ccnc(Cl)c12 228942995 YTMREHKFBGKPOZ-UHFFFAOYSA-N 224.647 2.164 0 40 BEAB S=C1S[C@@H]2CCC[C@@H]2N1C[C@H]1CCCO1 245482630 WPFBZHYIGYZWGW-KXUCPTDWSA-N 243.397 2.420 0 40 BEAB Cc1cnn(CCF)c1NCc1ccco1 256054638 XDNYOCQXSDWMSH-UHFFFAOYSA-N 223.251 2.366 0 40 BEAB CC(=O)NCCSCc1ccccc1C 409027861 HXZOMYPBUJCRNP-UHFFFAOYSA-N 223.341 2.364 0 40 BEAB C[C@@H](F)COC(OC[C@@H](C)F)OC[C@@H](C)F 1083808029 VWOCFXWMMFWYDE-IWSPIJDZSA-N 244.253 2.394 0 40 BEAB NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775974451 GXEUZPMTFKQTCA-MRVPVSSYSA-N 225.338 2.469 0 40 BEAB C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 270031 SOGPHQRDWZPROD-VIFPVBQESA-N 245.369 2.169 0 40 BEAB CN1[C@H]2CC[C@@H]1CC(OC(=O)c1ccccc1)C2 271983 XQJMXPAEFMWDOZ-PBWFPOADSA-N 245.322 2.469 0 40 BEAB biogenic,in-vitro Cc1cccc(NC(=O)c2snnc2C)c1 385514 BAQVIZKEXWRJPY-UHFFFAOYSA-N 233.296 2.407 0 40 BEAB c1ccc2nc3c(nc2c1)OC[C@H]1CCCCN31 1390763 JVXSCCVPBJZLFY-SNVBAGLBSA-N 241.294 2.381 0 40 BEAB Nn1c(CCC2CCCCC2)n[nH]c1=S 4200471 NWSWDTUUCNXFBD-UHFFFAOYSA-N 226.349 2.167 0 40 BEAB in-vitro CCC(CC)NC(=O)c1ccc2c(c1)OCO2 4524701 ABUVIPSQXPOCIB-UHFFFAOYSA-N 235.283 2.334 0 40 BEAB Cc1n[nH]c2c1[C@H](c1cccc(F)c1)N(C)C2=O 4909055 VKJZKUQGFXRCBG-LBPRGKRZSA-N 245.257 2.032 0 40 BEAB CCSc1nnc([C@@H](N)CC(C)C)o1 5069921 PKYKSQZHJQFFBY-ZETCQYMHSA-N 215.322 2.228 0 40 BEAB O=c1[nH]c2ccccc2nc1/C=C/c1cccnc1 5286488 WOYMZRWUKAMJMT-BQYQJAHWSA-N 249.273 2.489 0 40 BEAB C[C@H]1CN[C@H](C)C[C@@H]1OC(=O)c1ccccc1 5912341 FKYVJLAHWSGDPJ-LOWVWBTDSA-N 233.311 2.230 0 40 BEAB CCCc1nnc(COc2ccc(C=O)cc2)o1 8731388 WZTZEOIHEJRUCP-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB O=C(CNc1ccccc1Cl)NC1CC1 10223145 PDVVHYIZGIRORX-UHFFFAOYSA-N 224.691 2.031 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1 16349092 LDVYEDUJMSLZLB-CHWSQXEVSA-N 233.311 2.028 0 40 BEAB O=C(NC1CCCCCCC1)c1cc[n+]([O-])cc1 16494320 RXSAUAKTTKPHEF-UHFFFAOYSA-N 248.326 2.163 0 40 BEAB Cc1cc(OCC(=O)O)c2cccc(C)c2n1 19229403 CXMXXTAIGYFCOE-UHFFFAOYSA-N 231.251 2.315 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H](O)CC12CCC2 20282744 HEGAYMHXIDYCSW-SNVBAGLBSA-N 241.331 2.301 0 40 BEAB in-vitro NC[C@@H](c1ccc(F)c(F)c1)N1CCCCC1 22167658 LFQMPKMMYCOMEV-ZDUSSCGKSA-N 240.297 2.451 0 40 BEAB CCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)o1 27906263 HOXUNYYAZVMYEY-GXSJLCMTSA-N 237.299 2.139 0 40 BEAB CC[C@@](C)(c1ccccc1)N(CC(=O)O)N=O 31671820 ODOBWUXGBSGCRM-LBPRGKRZSA-N 236.271 2.380 0 40 BEAB Cc1ccoc1C(=O)Nc1cccnc1 32873687 AOGLTGFTIMRCNZ-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1F 32983365 OCRYRBJMHLRCEV-SKDRFNHKSA-N 237.274 2.182 0 40 BEAB C[C@@H](Cc1ccco1)NC(=O)c1ccco1 36398507 RCTGTFJSNPGIPX-VIFPVBQESA-N 219.240 2.234 0 40 BEAB C=CC(=O)N[C@@H](C)c1ccc(OC)cc1OC 37002420 OCHASYACJUPBOJ-VIFPVBQESA-N 235.283 2.067 0 40 BEAB CNC[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 40594530 BNJGRFWBJQOWRS-ZDUSSCGKSA-N 246.354 2.067 0 40 BEAB CN(C)[C@@H](CCN)c1ccccc1Cl 41226725 RZVAUDVGENAUMG-NSHDSACASA-N 212.724 2.292 0 40 BEAB C[C@H](NC(=O)[C@H]1CCCO1)c1cccs1 43545233 OUGFYXRJLGNINV-DTWKUNHWSA-N 225.313 2.104 0 40 BEAB CCN(Cc1cccc(Cl)c1)C(=O)COC 45395805 OYVKXTREBGJMFN-UHFFFAOYSA-N 241.718 2.335 0 40 BEAB CCCS(=O)(=O)Oc1ccccc1C 45929275 CWIILYIZZZLGMK-UHFFFAOYSA-N 214.286 2.114 0 40 BEAB c1nc(CN(C[C@H]2CCOC2)C2CC2)cs1 48251543 WCWRZSYGGOGIIX-SNVBAGLBSA-N 238.356 2.144 0 40 BEAB Cc1cccc(Nc2nc(C(=O)O)cs2)n1 61957857 JKIGWKNHNXUPOG-UHFFFAOYSA-N 235.268 2.288 0 40 BEAB Cc1c(N)cc(N)cc1-c1nc2ncccc2o1 73639983 VGKQLTOPPXOCSG-UHFFFAOYSA-N 240.266 2.363 0 40 BEAB Cn1cccc1C(=O)OCc1ccsc1 78948978 WSSSDLSEDBJJRE-UHFFFAOYSA-N 221.281 2.444 0 40 BEAB Cc1ccc2cc(OCC(=O)O)ccc2n1 82787043 XRKQJLPELOKZFP-UHFFFAOYSA-N 217.224 2.007 0 40 BEAB CC1(C)CCN(Cc2ccccc2)C[C@H]1N 84231950 PJHDTNJPMKQDGF-CYBMUJFWSA-N 218.344 2.246 0 40 BEAB CC[C@@H](NC1CCSCC1)[C@@H]1CCCO1 90858826 KZZQTSGQTMSMCD-NEPJUHHUSA-N 229.389 2.429 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2C(=O)CCC[C@@H]21 91301905 GRNSGJOKGICXGO-ZJUUUORDSA-N 239.315 2.365 0 40 BEAB in-vitro CC[C@@H](CO)c1cc(OC)c(OC)c(OC)c1 95917666 SPXUUTMNIOIXLG-VIFPVBQESA-N 240.299 2.198 0 40 BEAB C[C@@H](NCCOc1cccnc1)C(C)(C)C 95968028 WKDKLDPFVFRXQL-LLVKDONJSA-N 222.332 2.485 0 40 BEAB CCOCC(=O)N[C@@H]1CCC[C@@H](SCC)C1 96451458 PJXUJQQRCXELGP-GHMZBOCLSA-N 245.388 2.203 0 40 BEAB CCc1ocnc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 96456024 KARSBOKPUNTRIE-GHMZBOCLSA-N 248.326 2.499 0 40 BEAB C[C@@H]1CC[C@H]1COc1ncccc1C(=O)O 96526362 VJBNKAQYQMCIFQ-BDAKNGLRSA-N 221.256 2.205 0 40 BEAB CCc1c(C)nn(-c2ccc(OC)cc2)c1O 101491750 UFNONNKHPFLYJM-UHFFFAOYSA-N 232.283 2.457 0 40 BEAB O=C(O)[C@@H]1CC[C@@H](Nc2ccccc2)C1 114099949 OMPZEVZQYNKGJO-MWLCHTKSSA-N 205.257 2.352 0 40 BEAB CC(C)(C)OC(=O)[C@H]1C[C@@H](C(=O)O)C1(C)C 114925952 SUGWGGXZIXQNDM-JGVFFNPUSA-N 228.288 2.075 0 40 BEAB c1cn2cc(NC3CCCCC3)cnc2n1 148831071 UZBXFPWYARWLGA-UHFFFAOYSA-N 216.288 2.474 0 40 BEAB Cn1ncc2cc(Br)cc(F)c21 212825333 BBDUQXPTPWOVPT-UHFFFAOYSA-N 229.052 2.475 0 40 BEAB CCCNC(=O)c1snnc1-c1ccccc1 225758308 IKUSSAUITOFEDQ-UHFFFAOYSA-N 247.323 2.345 0 40 BEAB OC1(Cc2cccc(Cl)c2F)CCNCC1 228251005 DYPOGSKDIYFEES-UHFFFAOYSA-N 243.709 2.136 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]2CC[C@H]1N2 299888446 JVHNOZNBDNUNIJ-GARJFASQSA-N 240.347 2.042 0 40 BEAB O=C(N[C@@H]1CCC12CCOCC2)c1ccccc1 585409559 PIEGJQODHMQKFU-CYBMUJFWSA-N 245.322 2.376 0 40 BEAB O[C@@H]1CC[C@H]1n1cc(-c2cccc(Cl)c2)nn1 630613985 CZUCZOGCCVAVTO-VXGBXAGGSA-N 249.701 2.294 0 40 BEAB O=C(Nc1ccncc1)c1ccccc1O 72763 GKAYVRHZMBVFMP-UHFFFAOYSA-N 214.224 2.040 0 40 BEAB CCOC(=O)NC(=O)c1ccc(Cl)cc1 108046 DREWEXLXJIRFQG-UHFFFAOYSA-N 227.647 2.226 0 40 BEAB Cc1cc(Cl)n(C[C@@H](O)C(C)(C)C)n1 159838 KVKMLCOOTHLZHI-MRVPVSSYSA-N 216.712 2.252 0 40 BEAB CC(C)Sc1nnnn1-c1ccccc1 242223 SRXNAOIEUJQDHS-UHFFFAOYSA-N 220.301 2.163 0 40 BEAB COc1ccccc1N1CCSC1=O 269201 RAKWVPKVZDMUBA-UHFFFAOYSA-N 209.270 2.368 0 40 BEAB CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 1453025 YEBIYCKHVHLBHN-AATRIKPKSA-N 229.201 2.465 0 40 BEAB COC(=O)/C(=C\N(C)C)c1c[nH]c2ccccc12 3105925 BMPHBTGCNQOMHH-XFXZXTDPSA-N 244.294 2.243 0 40 BEAB CCOc1ccc2ccccc2c1[C@H](N)C(=O)O 4227599 IBEKXJPEGUNTAW-ZDUSSCGKSA-N 245.278 2.323 0 40 BEAB CC[C@@H](C[C@@]1(C)OCC[C@H](C)O1)C(=O)O 4705646 QXQGMCHPWQCEBV-QXEWZRGKSA-N 216.277 2.029 0 40 BEAB Cc1c(C)c2c(c(C)c1O)CCC(=O)O2 5046610 IWIXYZQOIASOQM-UHFFFAOYSA-N 206.241 2.169 0 40 BEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 6641502 LHJUXZWAVZHIDP-CMPLNLGQSA-N 247.294 2.133 0 40 BEAB CNCc1ccc(-c2cccc(C(=O)O)c2)o1 12899439 OMNHDYGQUQYEHK-UHFFFAOYSA-N 231.251 2.364 0 40 BEAB biogenic Cc1cc(C(=O)O)ccc1NC(=O)C(C)C 13391025 IGWOAXXORNZWMU-UHFFFAOYSA-N 221.256 2.288 0 40 BEAB CCOC(=O)/C=C\c1ccc(OC)cc1 17197580 DHNGCHLFKUPGPX-TWGQIWQCSA-N 206.241 2.272 0 40 BEAB biogenic,in-vitro CCC(CC)N1CCN(Cc2cccnc2)CC1 19364164 IAOUYWHUUSPNOL-UHFFFAOYSA-N 247.386 2.388 0 40 BEAB C/C(=C\C(=O)O)C(=O)Nc1ccc(Cl)cc1 20085909 VPRXFPRQOVSPAO-VOTSOKGWSA-N 239.658 2.309 0 40 BEAB CCN(Cc1ccncc1)C(=O)c1ccncc1 20496293 DROJLCSUZFFPCX-UHFFFAOYSA-N 241.294 2.139 0 40 BEAB Fc1ccccc1CNc1ncccn1 20549373 JVNMRKYFWZGBJR-UHFFFAOYSA-N 203.220 2.228 0 40 BEAB CCc1nc(Cl)n(-c2ccccc2)n1 22125131 JFLAUWRAMGYUAP-UHFFFAOYSA-N 207.664 2.483 0 40 BEAB CCOC(=O)c1c(C)[nH]c2c1C(=O)C[C@H](C)C2 22126441 GVIZVTJPWWMNGA-SSDOTTSWSA-N 235.283 2.265 0 40 BEAB CCOC(=O)C1=C(N)C=C[C@@H]1c1ccccc1 25953056 NLCKMKWFFMMAMM-LLVKDONJSA-N 229.279 2.116 0 40 BEAB Nc1nc(-c2ccc(Br)o2)ns1 28403031 GWQOQDJUDWJVBH-UHFFFAOYSA-N 246.089 2.143 0 40 BEAB Cc1[nH]c(-c2ccccc2)nc1[C@H](C)N 32629005 VFQNHMCRKRBPBK-QMMMGPOBSA-N 201.273 2.405 0 40 BEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC 34275366 KLRYBAAAYDFIEQ-BDAKNGLRSA-N 245.319 2.099 0 40 BEAB Cc1oc(-c2ccc(F)cc2)nc1CO 34514847 LKNUGERKHFDVGQ-UHFFFAOYSA-N 207.204 2.281 0 40 BEAB O=C(NC[C@H](O)c1ccccc1)C1CCCC1 35108715 AGVHLORPMNMHGC-ZDUSSCGKSA-N 233.311 2.026 0 40 BEAB Cc1cccc(N/C=C2\SC(=O)NC2=O)c1 36636133 HCCIZABETDIYKS-TWGQIWQCSA-N 234.280 2.231 0 40 BEAB O=C(NCCc1ccccn1)c1ccccc1F 37485827 MZPAFXPUVJZHFR-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB O=C1CCC(=O)c2cc(Cl)ccc2N1 39403212 YRUGIDNPYWLNBV-UHFFFAOYSA-N 209.632 2.255 0 40 BEAB COC(=O)c1c(C)cccc1NC(=O)C(C)C 48311675 IGETYXZMIALMLH-UHFFFAOYSA-N 235.283 2.376 0 40 BEAB CCONC(=O)c1cc2ccccc2n1CC 48727146 VHNLMYILZMQKNF-UHFFFAOYSA-N 232.283 2.343 0 40 BEAB Cc1nc2ccccc2nc1NCc1cc[nH]n1 52099452 WNKKKSFQUZUMLY-UHFFFAOYSA-N 239.282 2.273 0 40 BEAB CC(C)(C)c1ccc(-n2cc(CCO)nn2)cc1 52221250 YWRFEPAXRLVASR-UHFFFAOYSA-N 245.326 2.100 0 40 BEAB CC(=O)Nc1ccc2nc(C)cc(C(=O)O)c2c1 57347803 IDDIXLXZSZPVOK-UHFFFAOYSA-N 244.250 2.200 0 40 BEAB C[C@H]1CNCCN1Cc1cccc(Cl)c1F 67800344 GUJMTQIQOFQARJ-VIFPVBQESA-N 242.725 2.273 0 40 BEAB O=C1OCC[C@H]1N1CCC(c2ccccc2)CC1 69415045 WNEPGPJXCQNPDO-CQSZACIVSA-N 245.322 2.182 0 40 BEAB Nc1ncccc1C(=O)c1cc(F)cc(F)c1 70319969 VDMGBKKHGAPVIW-UHFFFAOYSA-N 234.205 2.173 0 40 BEAB in-vitro c1cnc2ccc(N[C@@H]3CCOC3)cc2c1 70969311 SDOFMQAVKABXCD-GFCCVEGCSA-N 214.268 2.436 0 40 BEAB CC(C)CN(CCC(=O)O)C(=O)c1ccccc1 71730872 HSHDFRKODUVCRT-UHFFFAOYSA-N 249.310 2.260 0 40 BEAB CC(C)NC[C@H]1CCCN1C(=O)OC(C)(C)C 72203601 AWYSTTQBDWOKLF-LLVKDONJSA-N 242.363 2.384 0 40 BEAB Cc1cc(Cl)nc(NC2CCC(N)CC2)n1 72203859 KPYSTRKSUJXSNQ-UHFFFAOYSA-N 240.738 2.120 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1 72218842 ULHCFVWKBACDOC-ZDUSSCGKSA-N 231.343 2.415 0 40 BEAB Cc1cc(C(=O)O)cnc1NC(C)(C)C 72222921 CXLGUGTWPBGDKV-UHFFFAOYSA-N 208.261 2.299 0 40 BEAB NCC12CCC(CC1)N2Cc1ccccc1 75629648 QTMONMDGPWWXOL-UHFFFAOYSA-N 216.328 2.142 0 40 BEAB c1ccc(CN(C2CCNCC2)C2CC2)cc1 79438004 BNNLBKGITSVWMS-UHFFFAOYSA-N 230.355 2.403 0 40 BEAB COc1ccc(Cl)c(C2(C(=O)O)CC2)c1 84500153 LUHYTJUPSVROEJ-UHFFFAOYSA-N 226.659 2.465 0 40 BEAB COc1ccc2c(C)cc(C)nc2c1N 85385478 FLZMMOUGJYBGRD-UHFFFAOYSA-N 202.257 2.442 0 40 BEAB Fc1ccc(CSc2cn[nH]n2)c(F)c1 95411480 WUBIWBLNDJIVIK-UHFFFAOYSA-N 227.239 2.375 0 40 BEAB CCCCS(=O)(=O)N1C[C@H]2CCCCC[C@@H]21 95469607 XMBKAALJJLTTAQ-NEPJUHHUSA-N 245.388 2.381 0 40 BEAB C[C@@H](N[S@](=O)C(C)(C)C)c1ccc(F)cn1 96029348 BAWJTWRNDKQESC-BCTVWOGZSA-N 244.335 2.334 0 40 BEAB Cn1nc(CNC(=O)CC(C)(C)C)cc1C1CC1 96099270 VGLJNMFQDFTKCK-UHFFFAOYSA-N 249.358 2.350 0 40 BEAB CCO[C@@H]1C[C@@H](Nc2cnccn2)C12CCC2 96429658 LKBVWDNRTBOBSG-GHMZBOCLSA-N 233.315 2.236 0 40 BEAB CC(C)(C)OC(=O)N[C@H](CO)CC1CCCC1 98209895 ZLEBLWDLKHDYEW-NSHDSACASA-N 243.347 2.452 0 40 BEAB in-vitro COC(=O)COc1cc(C)cc(C)c1C(C)=O 113704229 BHHSWSFBPGIEST-UHFFFAOYSA-N 236.267 2.058 0 40 BEAB CCOC(=O)C[C@H](C)CNC(=O)OC(C)(C)C 151285972 QWZZGKKCHWPMRV-VIFPVBQESA-N 245.319 2.100 0 40 BEAB CCc1ccc(NC(=O)c2cn[nH]c2)cc1F 152395607 OIURCCIETBZKBB-UHFFFAOYSA-N 233.246 2.364 0 40 BEAB c1cc(CC2C[C@@H]3CC[C@H](C2)N3)ccn1 169726641 QRUUFAHTAAXEIC-YHWZYXNKSA-N 202.301 2.155 0 40 BEAB C[C@H](CC(N)=O)N[C@@H]1CC[C@@H](C)c2ccccc21 195547093 IBTZBNVEJUCUQT-JTNHKYCSSA-N 246.354 2.479 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)Cn1cncn1 195575916 JXFJHOQYKWQYRZ-MELADBBJSA-N 248.374 2.249 0 40 BEAB COc1cccc(N[C@H]2CCCC[C@H]2N)c1 218858381 INOKVFDNRAAAPG-OLZOCXBDSA-N 220.316 2.377 0 40 BEAB Cc1c(CNc2ccnn2C(C)C)cnn1C 256052106 LXWAZHBRLSMGBI-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB CNCc1ncc(-c2ccccc2C(=O)O)s1 257314429 UWXSDHBEAVARLA-UHFFFAOYSA-N 248.307 2.228 0 40 BEAB Cc1ncccc1OCc1c2c(nn1C)CCC2 1849855078 KDPYZFOGZPVHJQ-UHFFFAOYSA-N 243.310 2.191 0 40 BEAB COc1ccc2oc(C(=O)O)c(C)c2c1 3268249 BKOHXOOAJNTFCM-UHFFFAOYSA-N 206.197 2.448 0 40 BEAB in-vitro CCNC[C@@H]1CCN(Cc2ccccc2)C1 4203931 AMRNWWPARHIDHZ-AWEZNQCLSA-N 218.344 2.118 0 40 BEAB in-vitro CCn1c(CCCC(=O)O)nc2ccccc21 4386792 YWGBWXFMJJEGAH-UHFFFAOYSA-N 232.283 2.464 0 40 BEAB CCc1cc(=O)[nH]c(SCc2ccccn2)n1 5154973 CPHMCZOVXRCTDU-UHFFFAOYSA-N 247.323 2.020 0 40 BEAB CN1O[C@H]2CCCC(=O)[C@@H]2[C@@H]1c1ccccc1 5353042 FFOMFRWPMNYVMA-IHRRRGAJSA-N 231.295 2.343 0 40 BEAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)C(C)=N1 5497791 UFYADHOOWVNADQ-GFCCVEGCSA-N 242.278 2.075 0 40 BEAB biogenic,in-vitro CC(=O)O[C@H]1CN2CC[C@@H]1[C@@H](c1ccccc1)C2 6720777 HZJHUAKXMXQRMD-KFWWJZLASA-N 245.322 2.037 0 40 BEAB CCOc1ccc(-c2ncc(C(=O)O)cn2)cc1 8731024 LSIQSRONKWIAMO-UHFFFAOYSA-N 244.250 2.241 0 40 BEAB O=C(O)[C@@H](Cc1ccncc1)c1ccccc1 11570616 XHXGOYRSBXUBAM-ZDUSSCGKSA-N 227.263 2.493 0 40 BEAB Cc1cccc(C(=O)N2CCO[C@@H](C)C2)c1C 12927515 GHDRMTJKFRTOEF-NSHDSACASA-N 233.311 2.164 0 40 BEAB Clc1ccc2cc3n(c2c1)CCNC3 13586841 PSLRQWHMXFDQNK-UHFFFAOYSA-N 206.676 2.398 0 40 BEAB in-vivo NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1 18190490 ORLJAGKBUCNDON-UHFFFAOYSA-N 244.081 2.002 0 40 BEAB NCCOc1ccccc1C(F)(F)F 19257120 RCWBAAWPVVQBLO-UHFFFAOYSA-N 205.179 2.043 0 40 BEAB in-vitro CN(Cc1ccccc1)c1ccc(CN)cn1 19264277 PGNGWGSOPBGRGN-UHFFFAOYSA-N 227.311 2.177 0 40 BEAB FC(F)(Cl)c1ccc(N2CCOCC2)nc1 19418637 NVCBXTSFGZKWKA-UHFFFAOYSA-N 248.660 2.206 0 40 BEAB CCn1cc(N)c(-c2nc3ccccc3[nH]2)n1 22638021 JAWSPQVVFVTSLN-UHFFFAOYSA-N 227.271 2.029 0 40 BEAB COc1ccccc1-c1cc(C(=O)N(C)C)no1 32830316 ISZXNULCUBUIKL-UHFFFAOYSA-N 246.266 2.052 0 40 BEAB CON(C)C(=O)c1sccc1-n1cccc1 40047268 RAUSMCVISCRZDA-UHFFFAOYSA-N 236.296 2.172 0 40 BEAB Cc1nc2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c2[nH]1 41123970 DZSKCVMHJWQCMH-DTORHVGOSA-N 245.330 2.144 0 40 BEAB CCC[C@H]1CCC(=O)[C@H](C(=O)OCC)C1 43651398 XIPCNPGUFDSAMZ-VHSXEESVSA-N 212.289 2.335 0 40 BEAB CN(C)CCCCOc1ccccc1C=O 49538524 GRMUCMCOGBSRNR-UHFFFAOYSA-N 221.300 2.220 0 40 BEAB COC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 50974449 CKDHJOAQICCZPR-MRVPVSSYSA-N 235.066 2.200 0 40 BEAB CC[C@H](O)CCc1nc2ccccc2[nH]1 62702318 CIEVPQWGLBBGNI-VIFPVBQESA-N 204.273 2.266 0 40 BEAB CC[C@H](Cc1ccc2c(c1)CCO2)C(=O)O 62711311 HKFDOAFTSIWDJJ-SNVBAGLBSA-N 220.268 2.275 0 40 BEAB C[C@H](CNC(=N)Nc1ccccc1)N1CCCC1 66245321 GVEJBNZXYAQPSK-GFCCVEGCSA-N 246.358 2.107 0 40 BEAB CC[C@@H](CO)NCc1cccc2[nH]ccc12 70621311 QARQSDAJJRZMDH-NSHDSACASA-N 218.300 2.028 0 40 BEAB Cc1ccc(-c2cc(C(=O)O)cc(=O)n2C)cc1 71556985 GDEVXLCYDLZFDK-UHFFFAOYSA-N 243.262 2.059 0 40 BEAB CCn1cc(-c2cc(N)ccc2OC)cn1 72209886 QWAILYJERGABOJ-UHFFFAOYSA-N 217.272 2.161 0 40 BEAB Cc1cc([C@H]2CCCN2)cnc1N1CCCC1 72218783 DNXHITSWCCIYJQ-CYBMUJFWSA-N 231.343 2.415 0 40 BEAB Cc1cc(N2CCCC2)ncc1[C@@H](C)O 72223473 NBMDPWBCLDRSQW-SNVBAGLBSA-N 206.289 2.044 0 40 BEAB CN1CCN(Cc2ccno2)c2ccc(F)cc21 72857549 OSTDUHXWAZWCPB-UHFFFAOYSA-N 247.273 2.270 0 40 BEAB O=C(OC1(C2CC2)CC1)c1cscn1 83770447 CFTHHQOKEYSBDJ-UHFFFAOYSA-N 209.270 2.243 0 40 BEAB Cc1cc(C(=O)O[C@H](C)Cn2cccn2)c(C)o1 83795875 PSJALWTVTDGDHH-SNVBAGLBSA-N 248.282 2.338 0 40 BEAB Cc1noc2ncc(C(=O)NC3(C)CCC3)cc12 89568246 WPKLKILNZIVJES-UHFFFAOYSA-N 245.282 2.204 0 40 BEAB CCOC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 95532057 QOUMMNCZEOSEKL-VIFPVBQESA-N 248.282 2.238 0 40 BEAB c1cc(CN2CC[C@H]3[C@H]2CCN3CC2CC2)co1 96063946 SWRBDSBQBYKFNP-LSDHHAIUSA-N 246.354 2.338 0 40 BEAB N[C@@H](N=O)c1ccc(C(F)(F)F)cc1 96125878 NLPGNDUQTKHACF-ZETCQYMHSA-N 204.151 2.429 0 40 BEAB COCCOc1cc(SC)sc1C(=O)O 96510932 CBEFOKHHMZRLIN-UHFFFAOYSA-N 248.325 2.193 0 40 BEAB COc1ccc(CN2CCCC[C@H]2CN)c(C)c1 96523577 QOYGDBZEXQXREY-AWEZNQCLSA-N 248.370 2.317 0 40 BEAB Cc1cc(C)nc(N(C)Cc2cccnc2)n1 97091512 PNDNNUXKADDIHH-UHFFFAOYSA-N 228.299 2.125 0 40 BEAB CC[C@]12C[C@@H]3C[C@@](O)(C1)C[C@@](C(=O)O)(C3)C2 100158700 OWTGEISDJULWJQ-WKSBVSIWSA-N 224.300 2.183 0 40 BEAB CC(C)[C@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C 107273261 AYGAKZNBXDBMCG-WDEREUQCSA-N 242.363 2.369 0 40 BEAB CCc1ccccc1NC(=O)c1cnco1 169953975 IMRUPDBEAYAPFE-UHFFFAOYSA-N 216.240 2.489 0 40 BEAB Cc1cccc(O)c1NC(=O)C1=CCCCO1 183081351 SSSGYGFDLACZJN-UHFFFAOYSA-N 233.267 2.333 0 40 BEAB COc1ccc(F)c(CCCO)c1Cl 199557541 ITLWUEKAQYAHSB-UHFFFAOYSA-N 218.655 2.413 0 40 BEAB CCCCn1cccc1CN1CCOCC1 225309589 DSQYMHFQLGITRL-UHFFFAOYSA-N 222.332 2.120 0 40 BEAB Cc1ccc(CCCNC(=O)C2CC2)cc1 225383137 VLXRDFNYJVRLCS-UHFFFAOYSA-N 217.312 2.454 0 40 BEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H]([C@H](CN)CO)C2 242581720 OCNAGPQNZVNTGV-XZUYRWCXSA-N 211.349 2.016 0 40 BEAB O=C(Cc1ccccc1)N1C2CCC1CC2 628840845 UUZBHMCYNAEELV-UHFFFAOYSA-N 215.296 2.383 0 40 BEAB CC(C)C(=O)OC[C@H]1CCCN2CCCC[C@H]12 35427 OKDZSBOUVNBQMR-CHWSQXEVSA-N 239.359 2.450 0 40 BEAB biogenic,in-vitro N[C@@H](Cc1ccc2ccccc2c1Cl)C(=O)O 2028589 PONNGHZRDCRUDO-NSHDSACASA-N 249.697 2.448 0 40 BEAB CC(=O)OCC(=O)Sc1ccc(C)cc1 2580766 GQFFGLBZZMFEPQ-UHFFFAOYSA-N 224.281 2.177 0 40 BEAB c1ccc(-n2nnnc2NC2CCCCC2)cc1 4516997 FGGHQJHLQVTLIX-UHFFFAOYSA-N 243.314 2.407 0 40 BEAB Cc1ccc(O[C@@H](C)C(=O)NC2CC2)cc1 8499631 FMMLMLMEESLNKM-JTQLQIEISA-N 219.284 2.041 0 40 BEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]2C)c1 9908500 CSXKFQVJPQVANQ-WPRPVWTQSA-N 235.283 2.298 0 40 BEAB COC(=O)c1ccc(C[n+]2ccc(C)cc2)cc1 13135266 UNQZJNSGBCSMKV-UHFFFAOYSA-N 242.298 2.117 0 40 BEAB NC(=O)c1cccc(CNCc2ccccc2)c1 20038401 WSQQGODLBAPEEV-UHFFFAOYSA-N 240.306 2.075 0 40 BEAB in-vitro CN(C[C@H]1CCCNC1)C1CCCCC1 21949815 ZOKLSRZQDQHBTI-LBPRGKRZSA-N 210.365 2.251 0 40 BEAB CCNCc1nc2ccc(Cl)cc2[nH]1 22122060 RKBWNCHOYQMZQE-UHFFFAOYSA-N 209.680 2.326 0 40 BEAB O=C(O)C1CCN(c2ccc(Cl)cn2)CC1 22178543 YOSRZAOSDZTMAM-UHFFFAOYSA-N 240.690 2.036 0 40 BEAB in-vitro COc1cccc([C@@H](CN)N2CCC[C@@H](C)C2)c1 22222375 AEZAJJACDUCXGH-IUODEOHRSA-N 248.370 2.427 0 40 BEAB Cc1ccc(C)c(CSC2=NCCN2)c1 26422851 GWRHOVMHAYUDGR-UHFFFAOYSA-N 220.341 2.496 0 40 BEAB Cc1csc(CCNC(=O)c2ccccc2)n1 31849011 HVRRBPMABQISGR-UHFFFAOYSA-N 246.335 2.424 0 40 BEAB CCNC(=O)C1(c2cccc(F)c2)CCC1 32906769 YLZSJXYRZNSYNK-UHFFFAOYSA-N 221.275 2.384 0 40 BEAB O=C(O)C1=Cc2ccccc2O[C@H]1C(F)(F)F 34279446 QSLSQLYQCKEGMS-SECBINFHSA-N 244.168 2.478 0 40 BEAB CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 34300805 AAWGPUXIHPRTHQ-SNVBAGLBSA-N 215.300 2.372 0 40 BEAB CN1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 34453826 OUPOBONEBFRSPF-CABCVRRESA-N 230.355 2.213 0 40 BEAB Nc1ccc(Nc2cccnc2)c(C(=O)O)c1 37930201 KJVCFVVLQVOYOD-UHFFFAOYSA-N 229.239 2.106 0 40 BEAB CSC[C@H](C)NC(=O)OC(C)(C)C 39093321 LRSLSAJGUOCYDQ-ZETCQYMHSA-N 205.323 2.263 0 40 BEAB in-vitro O=C(O)[C@H](CN1CCCCC1)c1ccccc1 41260791 BNMBKKRLDZILKN-CYBMUJFWSA-N 233.311 2.341 0 40 BEAB CC(C)CC(=O)OCC[C@@H]1CCCCN1 42769133 AMFHBTDICUKGTJ-NSHDSACASA-N 213.321 2.108 0 40 BEAB COC(=O)CCCC(=O)c1ccccc1OC 49828011 UPZCRDQITPNVKO-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB Cc1nc(Cn2c(=O)oc3ccccc32)oc1C 58356078 HZNLXVGYCHWORF-UHFFFAOYSA-N 244.250 2.248 0 40 BEAB CSc1ncccc1[C@@H]1CCCN1C(C)=O 72216935 HUBSEXDDBUBFMQ-NSHDSACASA-N 236.340 2.487 0 40 BEAB CCN(CC(=O)O)c1cc(C)cc(C)c1 76583975 XUWWYJJAPQUQQD-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB COc1ccc(-c2noc(C(C)C)n2)cc1N 82547001 CZLHDLYZYURUDP-UHFFFAOYSA-N 233.271 2.451 0 40 BEAB CC1CCC(CN2CCC(CN)CC2)CC1 84339656 QSSLNDHAMJGBDH-UHFFFAOYSA-N 224.392 2.483 0 40 BEAB COC(=O)[C@H](O)Cc1ccc(Cl)cc1Cl 84379109 MOJHSJMHVNYIDB-SECBINFHSA-N 249.093 2.070 0 40 BEAB CCCC(=O)[C@@H](C)C(=O)OC(C)(C)C 85494932 GZHVJVJALJXSAU-MRVPVSSYSA-N 200.278 2.333 0 40 BEAB in-vitro CSCCCNC(=O)NCC1(C2CC2)CC1 89493712 VJEOQPCMIJMBFM-UHFFFAOYSA-N 242.388 2.229 0 40 BEAB Cc1noc(CCN[C@H]2CCCC2(C)C)n1 89518958 SNZDELQFCLEHAU-JTQLQIEISA-N 223.320 2.089 0 40 BEAB Cn1ccc(NCc2csc(C3CC3)n2)n1 89756695 XJCBIIQVDAKIPJ-UHFFFAOYSA-N 234.328 2.366 0 40 BEAB Cc1n[nH]cc1CN[C@H]1CC(C)(C)OC1(C)C 94424000 QKIJITJDSRFGLW-NSHDSACASA-N 237.347 2.154 0 40 BEAB Clc1ccc2c(Cl)nncc2n1 95098056 MRXMFJTUYNZFIB-UHFFFAOYSA-N 200.028 2.332 0 40 BEAB CCOc1cccc(NC(=O)c2cc(C)on2)n1 96445107 QLEJTBCMNWOVDG-UHFFFAOYSA-N 247.254 2.029 0 40 BEAB Cc1ccc([C@H](C)NCc2noc(C)n2)o1 96502746 MAEQBWCOANFHJX-QMMMGPOBSA-N 221.260 2.130 0 40 BEAB O=C(O)c1cnn(C2CCC2)c1C(F)F 96529583 HVBJBSXIMMAAGD-UHFFFAOYSA-N 216.187 2.244 0 40 BEAB CCC1(C(=O)Nc2ccc(N)nc2)CCC1 97019634 VHDPNIZZGKHBOY-UHFFFAOYSA-N 219.288 2.183 0 40 BEAB O=C1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 100005727 DCDAOVIVXGHHHU-STQMWFEESA-N 215.296 2.098 0 40 BEAB CC(C)(C)OC(=O)N1CCc2ncccc21 114528272 DXABOGASCVFZGJ-UHFFFAOYSA-N 220.272 2.379 0 40 BEAB COC(=O)c1c(C(F)(F)F)ccnc1C 138585340 NQJSYDVEQYLSBR-UHFFFAOYSA-N 219.162 2.195 0 40 BEAB O=C1OCc2cc(Br)sc21 145944746 HBIDOOVHQAJXKB-UHFFFAOYSA-N 219.059 2.181 0 40 BEAB O=C(OCCCF)OCC(F)(F)F 169795638 DRFHWYHTOOUEDQ-UHFFFAOYSA-N 204.119 2.062 0 40 BEAB Cc1cc(F)c(CO)cc1Br 209753537 HGQYPBDSKIWEMP-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB in-vitro O=C(O)C1=CN(Cc2ccccc2)C=CC1 218618476 ZEMFOCAGMWVCCJ-UHFFFAOYSA-N 215.252 2.375 0 40 BEAB COC(=O)CCC(=O)c1cc(F)ccc1C 234685912 DKJBZLVBYREWIX-UHFFFAOYSA-N 224.231 2.270 0 40 BEAB FCCCCCN1CCO[C@H]([C@H]2CCCO2)C1 252537297 KXOLULNBAYGQGR-OLZOCXBDSA-N 245.338 2.006 0 40 BEAB C[C@H]1Cc2c(O)ccc(Br)c2O1 616567630 FLFDNTUCKJQCMM-YFKPBYRVSA-N 229.073 2.478 0 40 BEAB O=C(O)c1ccc2c(c1)[C@H]1CCC[S@@]1(=O)=N2 1565504702 AAJKUOKBOVUNMU-HWPZZCPQSA-N 237.280 2.333 0 40 BEAB c1ccc(COc2ccc(C3CNC3)cn2)cc1 1857794149 YCTDDCYPDXTYLU-UHFFFAOYSA-N 240.306 2.347 0 40 BEAB Nc1cc(OCC(=O)O)c(Cl)cc1Cl 1673090 VMNPETQUBQUXAP-UHFFFAOYSA-N 236.054 2.039 0 40 BEAB Cc1ccc(Nc2cc(N)nc(N)n2)cc1C 1681553 WACUVLDFPVBPAT-UHFFFAOYSA-N 229.287 2.001 0 40 BEAB COC(=O)CCCCC(=O)N(C(C)C)C(C)C 1687952 OKDBCLDDUYQSGA-UHFFFAOYSA-N 243.347 2.365 0 40 BEAB Cc1cc(C(=O)NC[C@@H]2CCCO2)sc1C 2731325 DUTXUNRWJZUIDB-JTQLQIEISA-N 239.340 2.274 0 40 BEAB CCC[C@@H](O)[C@@](O)(CC)c1ccc(OC)cc1 3845072 MIOADXDWQIJHDT-ZIAGYGMSSA-N 238.327 2.454 0 40 BEAB biogenic O=C(Nc1ccccn1)c1cccnc1Cl 5395315 AWHVQEZTXDJZHZ-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB C[C@@H]1c2ccccc2N=C2SCC(=O)N21 6175857 WPILWRTVLUXVTG-SSDOTTSWSA-N 218.281 2.324 0 40 BEAB Cc1ccccc1-n1nc(C)c(N=O)c1N 6223418 OVPSSOQQNUUHJU-UHFFFAOYSA-N 216.244 2.469 0 40 BEAB O=C(O)CC[C@@H]1CCc2ccccc2C1=O 6252707 JZTDPYMLZXRSQP-JTQLQIEISA-N 218.252 2.297 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1F 6586387 OWMRBISUUIJNSA-LLVKDONJSA-N 223.247 2.252 0 40 BEAB CCc1ccccc1NC(=O)c1ccc[nH]c1=O 9514596 OWBPJCFKBPLSNM-UHFFFAOYSA-N 242.278 2.190 0 40 BEAB COc1ccc(C2(N)CCCC2)cc1OC 11883648 UFIBWACEEAXPJG-UHFFFAOYSA-N 221.300 2.432 0 40 BEAB CC(C)C[C@H](N)C(=O)N1CCCc2ccccc21 11961110 KRJFWLJBSJDRKC-ZDUSSCGKSA-N 246.354 2.339 0 40 BEAB COC(=O)/C=C\c1ccc2c(c1)CCC2 12433044 DMJICDVHTUMQHN-VURMDHGXSA-N 202.253 2.362 0 40 BEAB O=C(NCCc1ccc(F)cc1)N1CCCC1 12906970 WMZWEGYLBZEUIV-UHFFFAOYSA-N 236.290 2.174 0 40 BEAB COC(=O)c1cc(NC(=O)C(C)C)ccc1F 12934452 IGTPFZUGBOQOGS-UHFFFAOYSA-N 239.246 2.207 0 40 BEAB COCCNc1ncnc2c1[nH]c1ccccc12 13865244 RTLSMGYZQMQHDP-UHFFFAOYSA-N 242.282 2.169 0 40 BEAB O=C(NC1CCCCC1)n1nnc2ccccc21 16545658 DPWIJDTYVHDKFG-UHFFFAOYSA-N 244.298 2.322 0 40 BEAB c1ccc2c(c1)CCN2C[C@H]1CCCNC1 16941885 KRPNLJQNKZDPIN-LBPRGKRZSA-N 216.328 2.049 0 40 BEAB CC(C)Cc1ccc([C@](C)(N)C(=O)O)cc1 19485864 NNPRIWDPKFSCHG-ZDUSSCGKSA-N 221.300 2.144 0 40 BEAB C[C@H](O)c1cc(Br)ccc1O 21952745 GYAGFKJTZFIQOE-YFKPBYRVSA-N 217.062 2.208 0 40 BEAB C[C@H](c1cccc(Cl)c1)N1CCNCC1 22115298 KJMZWWHGQDDCQJ-SNVBAGLBSA-N 224.735 2.306 0 40 BEAB O=C(CCc1cccs1)N1CCCC1 32674559 MSHUCENNKVOERU-UHFFFAOYSA-N 209.314 2.303 0 40 BEAB O=C(O)c1cnc2c(Cl)cc(F)cc2c1O 35731177 APBUTPJMKZWPGC-UHFFFAOYSA-N 241.605 2.431 0 40 BEAB FC(F)(F)c1cccc(C[C@H]2CNCCO2)c1 35837693 VKNXFHCIEDAJGJ-NSHDSACASA-N 245.244 2.236 0 40 BEAB CCc1cccc(OCC(=O)NCC(C)C)c1 36391951 IJECEYNDCZMQSG-UHFFFAOYSA-N 235.327 2.400 0 40 BEAB Cc1cc(C(=O)NCCC(C)(C)C)on1 36392361 MSSKCMSGYSRRHB-UHFFFAOYSA-N 210.277 2.149 0 40 BEAB CCN(CC)[C@@H](CN)c1ccccc1OC 38808900 FTKHTUNOIFYGLO-LBPRGKRZSA-N 222.332 2.037 0 40 BEAB O=C(O)c1cc(Cl)ccc1OCCF 39119257 XKMAGGNVRBMBET-UHFFFAOYSA-N 218.611 2.387 0 40 BEAB Brc1ncn(Cc2ccccc2)n1 40162984 RWPPUFZGOREGPN-UHFFFAOYSA-N 238.088 2.089 0 40 BEAB CCn1c(CNC(=O)C2CC2)nc2ccccc21 40190705 AFMJXFGSWPKCMY-UHFFFAOYSA-N 243.310 2.082 0 40 BEAB C[C@H](N)[C@H](c1ccccc1Cl)n1cccn1 43053013 RBFBNXLLMBVAJX-JOYOIKCWSA-N 235.718 2.473 0 40 BEAB Clc1cccnc1NCC1CCNCC1 44509218 RNJIKXWGXQSOJF-UHFFFAOYSA-N 225.723 2.147 0 40 BEAB CNC(=O)c1cccnc1Nc1cccc(F)c1 44881124 UUVLNMCPWSIKQH-UHFFFAOYSA-N 245.257 2.324 0 40 BEAB Cc1ccsc1C(=O)N1C[C@@H](C)OC[C@@H]1C 45445915 MZHBLKBTMIASOU-VHSXEESVSA-N 239.340 2.306 0 40 BEAB CCCCNC(=O)c1cc2cc(C)ccc2nn1 46087918 TZYNMXUDPRKYBY-UHFFFAOYSA-N 243.310 2.468 0 40 BEAB CCc1ccc(C(=O)Nc2cccnc2OC)o1 48599582 WFGUNKGUHPDKFY-UHFFFAOYSA-N 246.266 2.498 0 40 BEAB CC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(C)C 48977648 YGOGSRDTNMWXPU-NSHDSACASA-N 236.315 2.382 0 40 BEAB Cc1ccccc1-c1ccc(C(N)=O)o1 49812242 GZROZAIZPJPBRS-UHFFFAOYSA-N 201.225 2.354 0 40 BEAB CCCC(=O)N(CC(C)C)C1CCN(C)CC1 53231093 JZLCWZRBCMIQOW-UHFFFAOYSA-N 240.391 2.365 0 40 BEAB CCCNC(=O)NCc1cccc(OCC)c1 60938537 XEVMJACFHVHFNF-UHFFFAOYSA-N 236.315 2.295 0 40 BEAB N[C@@]1(C(=O)O)C[C@H]1c1ccc(Cl)cc1Cl 62712946 VINHNAHFYVPZRL-XVKPBYJWSA-N 246.093 2.263 0 40 BEAB COc1nc(C)c(Br)cc1F 63772323 MHZKQBVOLATRLZ-UHFFFAOYSA-N 220.041 2.300 0 40 BEAB Nc1ccc(C23CCN(CC2)CC3)cc1 71485326 LOXGPUNLCBCZGB-UHFFFAOYSA-N 202.301 2.006 0 40 BEAB c1ccc([C@@H]2CCCN(c3ncccn3)C2)nc1 72357243 LIKKMGYBJDJMKY-GFCCVEGCSA-N 240.310 2.256 0 40 BEAB CCCn1c(SC)nc2cc(C)[nH]c2c1=O 73665658 GNXSUNWLTYQEJB-UHFFFAOYSA-N 237.328 2.165 0 40 BEAB Cc1nnc(CN(C)CCc2cccs2)o1 75965388 YDNGQAIQZBERGX-UHFFFAOYSA-N 237.328 2.114 0 40 BEAB CCN(c1ccc(F)cc1)[C@@H](C)C(=O)O 82259680 SYNDMKAJQUBKFX-QMMMGPOBSA-N 211.236 2.125 0 40 BEAB C[C@@H]1Cc2ccccc2N(CCC(=O)O)C1 82441952 WOUWSRBKIIEUMT-SNVBAGLBSA-N 219.284 2.160 0 40 BEAB NCCc1csc(Br)c1 82931467 YNMURIPRLKHKPY-UHFFFAOYSA-N 206.108 2.012 0 40 BEAB O=C(c1ccc(F)c(F)c1)c1ncco1 85651171 CXSIDTDGYIVEIQ-UHFFFAOYSA-N 209.151 2.184 0 40 BEAB CC(C)[C@@H]1CO[C@@]2(CCN(Cc3c[nH]cn3)C2)C1 96072033 RVPDKXPIDLLUSJ-JSGCOSHPSA-N 249.358 2.047 0 40 BEAB CC[C@@H](NCc1nc(C)no1)c1nccs1 97110748 VLWYVVYUDODATH-MRVPVSSYSA-N 238.316 2.075 0 40 BEAB OCCNC1(Cc2ccccc2)CCCC1 97374706 BMMVPJZCMVTUJT-UHFFFAOYSA-N 219.328 2.124 0 40 BEAB C[C@]12C[C@@H](NC(=O)N1)c1cc(Cl)ccc1O2 100383669 PQEUXWPZCHVGEW-KCJUWKMLSA-N 238.674 2.193 0 40 BEAB COc1cccc(C(=O)CC(=O)C(F)F)c1 100497213 UZFAUAGBMNFLMX-UHFFFAOYSA-N 228.194 2.102 0 40 BEAB OC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 101543999 WJEZASBTWYDHPJ-CYDGBPFRSA-N 233.311 2.115 0 40 BEAB Cc1nccn1CCCNC[C@@H]1C[C@H]2C=C[C@H]1C2 102685718 BKLYYGDFUQLEKM-KKUMJFAQSA-N 245.370 2.383 0 40 BEAB CCCNC(=O)N1Cc2ccccc2C1 106256099 RADIQBDNCGKEGY-UHFFFAOYSA-N 204.273 2.122 0 40 BEAB CC[C@H](O)c1c(Cl)ncnc1Cl 113541735 FVBJBAHHSONBOC-BYPYZUCNSA-N 207.060 2.227 0 40 BEAB NCc1cnc2ccc(F)cc2c1Cl 199523542 NXOYINDYGDQNLY-UHFFFAOYSA-N 210.639 2.486 0 40 BEAB CCNCC[C@@H](CCO)c1ccc(C)cc1 217800467 JJPLGLMAYAFFQS-AWEZNQCLSA-N 221.344 2.461 0 40 BEAB COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2N)cc1 218886881 GFXBIRRVJPEUAA-LEWSCRJBSA-N 234.343 2.226 0 40 BEAB Fc1cn2nccc2cc1Br 238547751 QXYOQEILHSBYGG-UHFFFAOYSA-N 215.025 2.236 0 40 BEAB C[C@@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 514269639 FRDKHPVZXIMDRB-IVZWLZJFSA-N 239.315 2.363 0 40 BEAB Cc1cc(CN(C)[C@@H]2CCC[C@@H]2F)no1 585386187 UZKNOWWXJMGRMS-WDEREUQCSA-N 212.268 2.305 0 40 BEAB C[C@H](Oc1nc2cccnc2n1C)C1CC1 585654856 NEHAFLDGXKBISV-QMMMGPOBSA-N 217.272 2.146 0 40 BEAB CC1(C)CC(NC(=O)N2CC3(C2)CC3(F)F)C1 667314206 NHWVFAIRSQTZIP-UHFFFAOYSA-N 244.285 2.226 0 40 BEAB COC(=O)NC(=S)Nc1ccc(C)c(C)c1 556244 UHWHBLORODYFPE-UHFFFAOYSA-N 238.312 2.356 0 40 BEAB CC(=O)N(C)c1nnc(-c2ccccc2C)s1 1345243 VUNJHZSQUNUNDP-UHFFFAOYSA-N 247.323 2.496 0 40 BEAB CCCCS[C@@H]1C[C@@H](C)NC(=S)N1 2588195 BLQUFVLATCMVGG-HTQZYQBOSA-N 218.391 2.102 0 40 BEAB O[C@H](CNC1CCCC1)c1ccccc1 3307909 WODOFTMSPYLIFH-CYBMUJFWSA-N 205.301 2.252 0 40 BEAB O=Cc1ccccc1OC[C@@H]1CCCO1 4384260 ITNCGWPNAUAGTM-NSHDSACASA-N 206.241 2.057 0 40 BEAB in-vitro CCn1ccc2ccc(OC)cc2c1=O 4954384 GUHNBPJOVHRCSG-UHFFFAOYSA-N 203.241 2.030 0 40 BEAB Cc1ccsc1C(=O)OCC(=O)c1ccc[nH]1 5110379 TYPVGCWHKKWHLB-UHFFFAOYSA-N 249.291 2.424 0 40 BEAB CCCCCNC(=O)C(=O)Nc1cccc(C)c1 5183990 IJRSCGPLCVTKIL-UHFFFAOYSA-N 248.326 2.240 0 40 BEAB CC(C)[C@H]1CC[C@H](C)CC12OCC(O)CO2 6037626 GECFTYLLVUKXOY-GMKTYKIGSA-N 228.332 2.183 0 40 BEAB endogenous,in-man CC(=O)NCCC(=O)Nc1ccccc1C(C)C 8342342 SGYZPNBXGUIEDM-UHFFFAOYSA-N 248.326 2.275 0 40 BEAB CCOc1c(C=O)c(C)nn1CC(C)C 9579611 NVZFJIYEHGFPCV-UHFFFAOYSA-N 210.277 2.059 0 40 BEAB in-vitro O=C(NC1CC1)c1nc2ccccc2s1 9668632 LYHQWMQCLCJVNF-UHFFFAOYSA-N 218.281 2.189 0 40 BEAB Cc1cccc(-c2nnc([C@@H](C)N)o2)c1 11586083 RWBQLBGEBWWCEE-MRVPVSSYSA-N 203.245 2.065 0 40 BEAB Cc1cccc(C(=O)N[C@H](CC(C)C)C(=O)O)c1 11890167 NXVNYFBAKNMHHU-GFCCVEGCSA-N 249.310 2.224 0 40 BEAB O=C(/C=C/c1ccco1)Nc1cccnc1 12341515 ZETGWKCJXLTOQB-AATRIKPKSA-N 214.224 2.327 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 12979444 VBUJCSMOXICNDW-SKDRFNHKSA-N 221.275 2.440 0 40 BEAB Cc1ccc(COC2CCNCC2)cc1 14631891 YBNAVJMCEICEHT-UHFFFAOYSA-N 205.301 2.264 0 40 BEAB in-vitro Cc1ccc([C@H](N)CN2CCCCC2)cc1 19821196 KZAQKTBENFPOFP-CQSZACIVSA-N 218.344 2.481 0 40 BEAB Cc1noc2ncc(C(=O)N[C@@H](C)C3CC3)cc12 25773413 HCFZHUPZTPPBKA-ZETCQYMHSA-N 245.282 2.060 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)O 26894861 LUDNITDSPWSZOI-DTWKUNHWSA-N 243.303 2.155 0 40 BEAB Cc1cccc(C(=O)NCc2nc(C)cs2)n1 29885734 NRKAHRVPKAQLQU-UHFFFAOYSA-N 247.323 2.085 0 40 BEAB CCN(C(=O)c1cccc(F)c1)C1CC1 32760912 CCSCGDGLNJIESZ-UHFFFAOYSA-N 207.248 2.450 0 40 BEAB COc1ccc([C@H]2C[C@H]2[C@H](C)O)cc1OC 34702404 ASXMOCXJDQURGK-INTQDDNPSA-N 222.284 2.188 0 40 BEAB C[C@@H]1C[C@@H](C)CN([C@H](C(N)=O)c2ccccc2)C1 34862997 FJKQDJPBSGECLK-BZPMIXESSA-N 246.354 2.191 0 40 BEAB CN[C@@H](CO)c1ccc(Cl)cc1Cl 38121311 QPRVUKNTILVPGC-VIFPVBQESA-N 220.099 2.246 0 40 BEAB COc1ccccc1[C@H](CN)N1CCC[C@@H](C)C1 38809150 AWACISUOWGQNCH-OCCSQVGLSA-N 248.370 2.427 0 40 BEAB CCN(CCC1CCNCC1)Cc1ccncc1 42516899 CWUMCFPQVNRQAE-UHFFFAOYSA-N 247.386 2.293 0 40 BEAB CC/C=C(\C)C(=O)N(C)Cc1cccnc1 46041354 IMGRLYPRDYUZHQ-IZZDOVSWSA-N 218.300 2.396 0 40 BEAB Cc1ccc(C)c(C(=O)CCC(=O)N(C)C)c1 47651819 XFMBAFCSADDIDD-UHFFFAOYSA-N 233.311 2.355 0 40 BEAB CC(C)c1nc(CN2CCC[C@@H](O)C2)cs1 48331253 MJXRFYYYFALTTB-LLVKDONJSA-N 240.372 2.223 0 40 BEAB CC(C)(C)N1C[C@H](CO)O[C@@H]1c1ccccc1 57599264 JERBWURCWWHQBK-CHWSQXEVSA-N 235.327 2.177 0 40 BEAB NCc1nc2cc(Br)ccc2o1 62529370 QIOQELBEBGKRQF-UHFFFAOYSA-N 227.061 2.049 0 40 BEAB CCOC(=O)c1ccn(-c2ccc(F)cc2)n1 66351590 OPZFFTSKRYLRKS-UHFFFAOYSA-N 234.230 2.188 0 40 BEAB CC(C)(C)C(=O)NCCCN1CCCCC1 70248671 OVKZMLOJVPKYBO-UHFFFAOYSA-N 226.364 2.025 0 40 BEAB CC(C)(C)CNC1CN(C(=O)OC(C)(C)C)C1 71335867 DQVUCWOKXLNBSP-UHFFFAOYSA-N 242.363 2.241 0 40 BEAB Fc1ccccc1-c1nc([C@@H]2CCCN2)no1 71396692 BFMJKCXOJOFISB-JTQLQIEISA-N 233.246 2.300 0 40 BEAB CN[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207681 PRWFSZXEPFDTEG-MNOVXSKESA-N 242.363 2.241 0 40 BEAB Cc1nc([C@H]2CCCN2Cc2ccncc2)no1 72357070 KJQLNUTWRZLWDM-GFCCVEGCSA-N 244.298 2.110 0 40 BEAB CCN(CCC(F)(F)F)C(=O)N[C@@H]1C[C@H]1C 78441175 DHDRLWQEOCDJCH-HTQZYQBOSA-N 238.253 2.379 0 40 BEAB CCOc1ccc([C@H]2CCCN2CCO)cc1 81646233 NOQUKSXSTRJZSM-CQSZACIVSA-N 235.327 2.215 0 40 BEAB Clc1ccc(OC2CCOCC2)nc1 85316400 MEURSBTXFGTEMM-UHFFFAOYSA-N 213.664 2.293 0 40 BEAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)NC1CC1 89827970 SIXZOAQDUXMOHH-DGCLKSJQSA-N 230.311 2.252 0 40 BEAB C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCCC1 89941522 WHHKWFFIYJKQHX-GXFFZTMASA-N 231.295 2.174 0 40 BEAB C[C@H]1CN(c2ncc(Cl)cn2)CCS1 95406801 GIZQCIWQPSCETD-ZETCQYMHSA-N 229.736 2.072 0 40 BEAB Brc1ncccc1OC1CC1 95709731 LCMCCKRZCWITHY-UHFFFAOYSA-N 214.062 2.385 0 40 BEAB CCCOC(=O)[C@H](C)Sc1nnc(C)s1 95961276 ZIXLOGBTIFKKTD-LURJTMIESA-N 246.357 2.280 0 40 BEAB c1ccc(CCN2CCC3(CC2)COC3)cc1 96051226 LKUXDYFDHYUGGP-UHFFFAOYSA-N 231.339 2.342 0 40 BEAB CCOCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 96423519 PVMMYHAUPJJPDX-QWHCGFSZSA-N 239.359 2.498 0 40 BEAB CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)O)o1 97020124 CULVGIKEFCRFHK-HTQZYQBOSA-N 239.271 2.142 0 40 BEAB CNC(=O)CSCc1ccc(Cl)cc1F 187955220 NEKBHLFJZUIQJN-UHFFFAOYSA-N 247.722 2.458 0 40 BEAB Cc1cccnc1CC1C[C@@H]2CC[C@H](C1)N2 205699128 VXSBXBNMKZBQLK-YHWZYXNKSA-N 216.328 2.463 0 40 BEAB Cc1cc2c(o1)C[C@@H](C(F)F)C[C@@H]2O 217646749 GKRRKYGITKISPK-XPUUQOCRSA-N 202.200 2.449 0 40 BEAB CCCn1cc(NCc2cnn(C)c2C)c(C)n1 256054358 VZIUIIFKCOSKJG-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB O=C1NCCc2oc(-c3ccccc3)cc21 257173844 ZCKZTPZQYHSSCN-UHFFFAOYSA-N 213.236 2.233 0 40 BEAB C[C@@H](CNC1=NCCCCN1)c1ccccc1 521396928 HVNKMTQTAWDWID-LBPRGKRZSA-N 231.343 2.119 0 40 BEAB C=COCCP(=O)(OCC)OCC 627276230 LRGIKFGGCVETGD-UHFFFAOYSA-N 208.194 2.413 0 40 BEAB O[C@@]1(C(F)(F)F)CCc2ccc3c(c21)CCO3 1772715250 HSYDVMDPGDHFKP-NSHDSACASA-N 244.212 2.318 0 40 BEAB C[C@H]1S[C@@H](c2ccc(F)cc2)NC1=O 128951 GIWCGQHJMAJOSI-LDWIPMOCSA-N 211.261 2.076 0 40 BEAB CC(=O)Nc1c(C(=O)O)[nH]c2ccc(C)cc12 326016 SLTGVGIKYCMSKR-UHFFFAOYSA-N 232.239 2.133 0 40 BEAB COc1ccc(NC(=O)c2ccco2)c(N)c1 419982 UEAYFTIZBNKHCR-UHFFFAOYSA-N 232.239 2.123 0 40 BEAB CC1(Cc2c[nH]c3ccccc23)OCCO1 517669 LMINDIHGKUVBAC-UHFFFAOYSA-N 217.268 2.473 0 40 BEAB biogenic O=C(c1ccccc1)N1C(=O)c2ccccc21 1684787 VVPBEWFSPBASBT-UHFFFAOYSA-N 223.231 2.487 0 40 BEAB CCOP(=O)(OCC)[C@H](O)c1cccnc1 1786976 MZSVJEVPARITDB-JTQLQIEISA-N 245.215 2.339 0 40 BEAB COc1cc(NCc2ccn(C)n2)cc(OC)c1 2536337 IQPZPUJNQZTRNQ-UHFFFAOYSA-N 247.298 2.049 0 40 BEAB O=C(NCCCc1ccccc1)c1cccnc1 2736778 DGVNUZBITSWBPL-UHFFFAOYSA-N 240.306 2.444 0 40 BEAB in-vivo COc1ccc([C@@H]2CC(C(C)(C)O)=NO2)cc1 5383922 BGYNDIGESOKEIR-NSHDSACASA-N 235.283 2.284 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@@](C)(O)C1(C)C 5416527 YAGFHRMTEOSHRG-AWEZNQCLSA-N 245.326 2.438 0 40 BEAB CCCCNC(=O)c1cc(C)n(C)c1C 8051995 YBBRSRVWEBHMIK-UHFFFAOYSA-N 208.305 2.172 0 40 BEAB CCOc1ccccc1[C@H](O)c1nccn1CC 9421179 DYXWSNLHFCCLMV-ZDUSSCGKSA-N 246.310 2.383 0 40 BEAB NC(=O)c1c(-c2cccc(F)c2)csc1N 12398442 BNMMAPVYSBTVRO-UHFFFAOYSA-N 236.271 2.235 0 40 BEAB Cn1ccc(NC(=O)/C=C/c2ccccc2)n1 12977521 MESRYKIZIAUYFE-BQYQJAHWSA-N 227.267 2.072 0 40 BEAB Cc1nn(C)c(C)c1C(=O)NC1CCCCC1 12980986 OZHRXMBBPWPEOS-UHFFFAOYSA-N 235.331 2.099 0 40 BEAB O=C(O)CCCCCCNC(=O)c1ccccc1 19513146 MWCXFMZMNBCOJN-UHFFFAOYSA-N 249.310 2.452 0 40 BEAB COc1ccc(S[C@H](C)C(=O)O)cc1 19687177 KGMRFOXHSDWDKC-SSDOTTSWSA-N 212.270 2.260 0 40 BEAB in-vitro CCCCNc1ccc(C(=O)O)cc1N 21993993 YIFVEIGEGOLPSZ-UHFFFAOYSA-N 208.261 2.179 0 40 BEAB COC(=O)c1ccc2[nH]cc(C(C)=O)c2c1 21994805 LXTFSAFFYUCWCX-UHFFFAOYSA-N 217.224 2.157 0 40 BEAB CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 22113942 NFRPKIATGQQKHI-DTWKUNHWSA-N 228.288 2.219 0 40 BEAB Cc1c(Cl)cc(C(N)=O)cc1Cl 26508380 SPTGJWNMECZLCA-UHFFFAOYSA-N 204.056 2.401 0 40 BEAB CC[C@H]1c2ccsc2CCN1S(C)(=O)=O 30426412 XXBUPVPWNDVYQO-VIFPVBQESA-N 245.369 2.017 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)n1ccnc1 32628626 GZPOELWUWAUAJL-VHSXEESVSA-N 207.277 2.020 0 40 BEAB O=C(NCC1CC1)N[C@@H]1CCc2ccccc21 32909456 BOLNATMITDWSSH-CYBMUJFWSA-N 230.311 2.383 0 40 BEAB COC(=O)c1ccc2oc(Cl)nc2c1 34452206 BNLACLQPNMYERU-UHFFFAOYSA-N 211.604 2.268 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)Cc2ccco2)cn1 36397206 DWXIXFLDPYVDTF-LLVKDONJSA-N 244.294 2.344 0 40 BEAB CCOC(=N)c1ccc(OC)c(OC)c1 37928032 QZXLXXHGCGBMFL-UHFFFAOYSA-N 209.245 2.066 0 40 BEAB Cc1cc(CSc2nnc(C)s2)no1 48362000 FVZSZDUUNVQFBP-UHFFFAOYSA-N 227.314 2.435 0 40 BEAB CC[C@H]1CCCCN1C(=O)c1cccc(N)n1 51070427 OAWSRGNZSZTWCA-JTQLQIEISA-N 233.315 2.069 0 40 BEAB CCCC[C@H](CC)CN1CCNC[C@@H]1C 54374673 CTEYDSHQPCHLCV-STQMWFEESA-N 212.381 2.497 0 40 BEAB CCCCS(=O)(=O)c1nc2ccccc2[nH]1 57326583 JKUAOJBBXUEIKA-UHFFFAOYSA-N 238.312 2.137 0 40 BEAB CC(C)=CCN1CCC(NC(=O)C(C)C)CC1 61022907 WQWVIMDFAKURKG-UHFFFAOYSA-N 238.375 2.189 0 40 BEAB CCOCC(=O)O[C@H]1CCc2ccccc2C1 71803843 IKFGIACMTBWNRR-ZDUSSCGKSA-N 234.295 2.124 0 40 BEAB CC(C)(C)[C@@H]1CCCN(S(C)(=O)=O)CC1 71909488 RIGMOVPGWPEHRH-SNVBAGLBSA-N 233.377 2.094 0 40 BEAB Cc1c[nH]nc1C1CCN(C(=O)C2CCC2)CC1 72357189 FKJQOPOUMYOJJF-UHFFFAOYSA-N 247.342 2.224 0 40 BEAB CC(=O)c1c(F)cccc1N(C)CC[C@@H](C)O 78416964 ROPVVNSELUFZHJ-SECBINFHSA-N 239.290 2.235 0 40 BEAB COC[C@H](C)OC(=O)c1ccc(C)c(F)c1 79102142 BDQIPECRZDITBC-VIFPVBQESA-N 226.247 2.326 0 40 BEAB CN(Cc1cccn1C)C(=O)c1ccccc1 79107879 CUJHLCPFVSBHRC-UHFFFAOYSA-N 228.295 2.297 0 40 BEAB O=C(O)Cc1coc2cc(F)c(F)cc12 85399361 TXHSPCLAXCXQFW-UHFFFAOYSA-N 212.151 2.338 0 40 BEAB Nc1cn(Cc2ccc(Cl)cc2Cl)nn1 86491416 IUVAIWWQDFXBDH-UHFFFAOYSA-N 243.097 2.215 0 40 BEAB CN(C(=O)CSCC1CCC1)C1CC1 89334657 HYDISPQIMUXKOK-UHFFFAOYSA-N 213.346 2.141 0 40 BEAB NC(=O)CSCc1cccc(OC(F)F)c1 89780673 ODBSGSPHPXRETN-UHFFFAOYSA-N 247.266 2.007 0 40 BEAB CCS[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 96301191 UYIBMQXMKYEWFA-LLVKDONJSA-N 249.335 2.380 0 40 BEAB CO[C@@H]1CCC[C@H]1OC(=O)c1c(C)noc1C 97094954 AMQCBVRGVVVTRK-NXEZZACHSA-N 239.271 2.016 0 40 BEAB CCN(CC)CCS[C@@H]1CCO[C@H]1C 97139664 MBLKRZTUPPYNSH-WDEREUQCSA-N 217.378 2.239 0 40 BEAB CCNC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 98013998 QRVPOMSSPMEJKM-AAEUAGOBSA-N 248.326 2.178 0 40 BEAB C[C@@H]1[C@H]2C[C@@H]([C@H](CN(C)C)C2=O)C1(C)C 100740135 IORDCIHONMRMKU-ZNSHCXBVSA-N 209.333 2.045 0 40 BEAB C[C@]12C=C[C@@](C)(CCCC1)S2(=O)=O 101036697 XPURMCCDSCCZRX-NXEZZACHSA-N 200.303 2.062 0 40 BEAB Cc1cc2ncc(Br)n2nc1Cl 113194263 JUVHBJGMTMVNQR-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB C[C@H](CNCC1(C)OCCO1)c1ccccc1 194528037 OGXGMWYFSYEFFL-GFCCVEGCSA-N 235.327 2.143 0 40 BEAB COc1cccc([C@H]2CCCC[C@H]2NN)c1 199539036 OPIJBJZARGJXGX-CHWSQXEVSA-N 220.316 2.185 0 40 BEAB CCC[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 217847690 KFYLHJUNGYIXAL-UWVGGRQHSA-N 229.320 2.157 0 40 BEAB CCOCCOc1cc(C)c(N)c(C)c1 223774557 TXPXMYPHDQXEQK-UHFFFAOYSA-N 209.289 2.301 0 40 BEAB CCc1ccc(C(=O)OC)n1CC(C)C 226021981 DVXXETVTNGLLRQ-UHFFFAOYSA-N 209.289 2.493 0 40 BEAB CSC1CN(C(=O)OCc2ccccc2)C1 307740897 IDSWIHPZNYKRKS-UHFFFAOYSA-N 237.324 2.370 0 40 BEAB Cc1nnc(N(C)C2CC(C)(C)C2)s1 336283570 ZPFFNOFCMVJRIZ-UHFFFAOYSA-N 211.334 2.471 0 40 BEAB Clc1c(Br)nc2n1CC=CO2 1083802427 VXIJTMWVQRNPNZ-UHFFFAOYSA-N 235.468 2.205 0 40 BEAB Nc1nnc(-c2ccc3ccccc3c2)o1 24188 UNYFQKGWGIABDA-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB in-vitro CC(=O)Oc1cc2ccccc2cc1C(=O)O 1651927 DXBBERBOYNPPLM-UHFFFAOYSA-N 230.219 2.463 0 40 BEAB Cc1cc(S(C)(=O)=O)ccc1Cl 1666932 ILDQJELXZGUYNE-UHFFFAOYSA-N 204.678 2.052 0 40 BEAB COc1ccccc1CC(=O)C(F)(F)F 2518008 ZDZLVZWUKCNACS-UHFFFAOYSA-N 218.174 2.369 0 40 BEAB CCn1ncc(C(=O)N2CCC[C@@H](C)C2)c1C 2781276 GWDKKEBTNFISMC-SNVBAGLBSA-N 235.331 2.084 0 40 BEAB C[C@]12CCCC[C@@]13NC(=O)CN3c1ccccc12 3999026 BNTKETXJVKCBBV-CABCVRRESA-N 242.322 2.164 0 40 BEAB biogenic Cc1ccsc1/C=C1\SC(=N)NC1=O 4646583 NFDAWATZLGKCQD-DAXSKMNVSA-N 224.310 2.195 0 40 BEAB Nc1n/c(=N\c2ccccc2)ss1 8652962 SAPDXGHAYNDXOP-UHFFFAOYSA-N 209.299 2.019 0 40 BEAB CC[C@@H](C)NC(=O)C(=O)Nc1c(C)cccc1C 9994984 NCFAMHNAGMLEPP-LLVKDONJSA-N 248.326 2.157 0 40 BEAB O=C(O)c1ccc2c(c1)ncn2-c1cccnc1 17169588 UQEJHZDRRFRWLG-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB CCCc1noc(COc2ccccc2C=O)n1 22120746 ZASZFPZYRIHERD-UHFFFAOYSA-N 246.266 2.414 0 40 BEAB O[C@@H](CNCc1ccccc1)CC(F)(F)F 26897933 FIPYXVWKZLCGAE-SNVBAGLBSA-N 233.233 2.090 0 40 BEAB O=C(Nc1ccc2c(c1)CCC2)N1CCOCC1 27334309 LZZYWWQXGOBOEZ-UHFFFAOYSA-N 246.310 2.039 0 40 BEAB O=C(c1ccc(F)c(F)c1F)N1CCCC1 28210625 TUFDBEORVWAQIA-UHFFFAOYSA-N 229.201 2.340 0 40 BEAB C[C@H]1C[C@@H](C)CN(CC(=O)c2ccc[nH]2)C1 28659703 BPSLVWHOKAHHSA-PHIMTYICSA-N 220.316 2.175 0 40 BEAB CCOc1ncccc1CNC(=O)C=C(C)C 30309429 AMUJOHMGHHLENZ-UHFFFAOYSA-N 234.299 2.063 0 40 BEAB C[C@H]1C[C@H]1C(=O)N(C)Cc1cccs1 33000388 KWTJHNWOGRMQMV-WCBMZHEXSA-N 209.314 2.363 0 40 BEAB Nc1ccc2c(c1)NC(=O)C21CCCC1 34100573 IHGQTAJGOPOWQT-UHFFFAOYSA-N 202.257 2.033 0 40 BEAB COC(=O)[C@@H](C)CNCc1ccccc1Cl 35133560 CMAHLTYYUYEYLO-VIFPVBQESA-N 241.718 2.239 0 40 BEAB CN[C@](C)(C(=O)O)c1cccc(C(F)(F)F)c1 37180655 NOPHVSHTMRSVIF-JTQLQIEISA-N 247.216 2.225 0 40 BEAB N[C@@H](CCc1ccc(C(F)(F)F)cc1)C(=O)O 38478228 VOINSBLLXKDEJC-VIFPVBQESA-N 247.216 2.050 0 40 BEAB in-vitro COCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 40107886 AVTLPRITMAYAHC-VIFPVBQESA-N 241.718 2.034 0 40 BEAB COc1ccc(N)cc1-c1ccc(CO)o1 40545653 PDDCEKFHVHYFQU-UHFFFAOYSA-N 219.240 2.030 0 40 BEAB COc1ccccc1[C@@H](CO)N1CCCCC1 41265833 MNKBSRJRBAODSB-CYBMUJFWSA-N 235.327 2.215 0 40 BEAB CC(C)(C)c1ccccc1OC1CNC1 42769881 UNMWTGOSPDTLNQ-UHFFFAOYSA-N 205.301 2.335 0 40 BEAB CCOc1ccc(OC[C@@H]2CCNC2)cc1 42773058 TVMJHKSXEUKCCT-LLVKDONJSA-N 221.300 2.074 0 40 BEAB O=C(CCOCC(F)(F)F)NC1CCCC1 45268445 CZJDDTFDHCHOEQ-UHFFFAOYSA-N 239.237 2.014 0 40 BEAB C[C@@](O)(CNC(=O)C1CCCC1)c1ccccc1 70639498 FXSGCLNFCNFVFB-OAHLLOKOSA-N 247.338 2.201 0 40 BEAB CCCCCS(=O)(=O)c1ccc(C=O)cc1 72209813 ZJKZEUYTGBRTQL-UHFFFAOYSA-N 240.324 2.463 0 40 BEAB Cc1cnccc1[C@@H]1CCCCN1C=O 72219545 YDWVIUOSAQAGKT-LBPRGKRZSA-N 204.273 2.073 0 40 BEAB O=c1sc2ccccc2n1Cc1ccon1 72675036 IIFPXVLDZZIZEB-UHFFFAOYSA-N 232.264 2.099 0 40 BEAB CCCCNC(=O)c1ccc(OC)c(F)c1 74946729 RTYMOQRHVZDYQI-UHFFFAOYSA-N 225.263 2.364 0 40 BEAB NCCc1c(F)cccc1Br 75845461 AYBXTNALAPGVHP-UHFFFAOYSA-N 218.069 2.089 0 40 BEAB Cc1ccc(N)cc1-c1nc(CN)cs1 75879467 RSDUGKYSBCOCTG-UHFFFAOYSA-N 219.313 2.159 0 40 BEAB O=C(Nc1cc(F)cc(F)c1)C(F)(F)F 82277899 RKFHPNIZMPQLFM-UHFFFAOYSA-N 225.116 2.466 0 40 BEAB C[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 82306120 KPIJBNIEQKRTLM-TZMCWYRMSA-N 246.354 2.206 0 40 BEAB Nc1cnn(-c2ccc(Cl)c(Cl)c2)n1 82349666 ZTFLQEXDMSIGLD-UHFFFAOYSA-N 229.070 2.156 0 40 BEAB NCc1nc(-c2ccccc2)n2c1CCCC2 84017895 RQQFVYQBIMWRTL-UHFFFAOYSA-N 227.311 2.345 0 40 BEAB Nc1cc(Br)ccc1OCCF 87774155 OXOYUOLJJVIVEA-UHFFFAOYSA-N 234.068 2.380 0 40 BEAB C[C@@H]1CCOCCN1c1nc2ccccc2o1 89269418 PQGRFCHVQMZGOE-SNVBAGLBSA-N 232.283 2.443 0 40 BEAB CON(C)C(=O)c1[nH]c2ccc(C)cc2c1C 89657477 KYKXCMILXQUUBR-UHFFFAOYSA-N 232.283 2.418 0 40 BEAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(C2CC2)n1 95534016 VUCUGCVOYAGKOS-JTQLQIEISA-N 248.717 2.384 0 40 BEAB COc1ccc(OC)c(C(=O)C(F)F)c1 95916715 NKQPSKZZXQKGQM-UHFFFAOYSA-N 216.183 2.152 0 40 BEAB O=C(CCc1cscn1)O[C@H]1CCSC1 95959364 MRNIACBDISLBGN-VIFPVBQESA-N 243.353 2.124 0 40 BEAB CC(=O)Nc1cccc(CC[C@@H](C)C(=O)O)c1 96316065 SYKFBANLPZHTKH-SECBINFHSA-N 235.283 2.298 0 40 BEAB Cc1cc(NC(=O)N2CCO[C@H](C)[C@@H]2C)ccn1 97048794 XONISPZCCCJNSX-WDEREUQCSA-N 249.314 2.031 0 40 BEAB CCCOCC(=O)Nc1c(C)cccc1O 97233772 CATYWULPKZFRIO-UHFFFAOYSA-N 223.272 2.066 0 40 BEAB O=C(NCc1ccco1)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100077576 DOHVNPVMJWEUJI-CNVPUSNMSA-N 231.295 2.188 0 40 BEAB Cc1cc(C(=O)[C@@H]2CCCC2=O)c(C)o1 105748089 JZDAGQVMPUQGLL-SECBINFHSA-N 206.241 2.448 0 40 BEAB CCCCNCc1cnn(CC(C)C)c1 134776807 AZXDKQSFCKFSLM-UHFFFAOYSA-N 209.337 2.429 0 40 BEAB Cn1nccc1C(F)(F)C(F)(F)F 169798920 DMMSJIOUURKOMY-UHFFFAOYSA-N 200.110 2.074 0 40 BEAB CCn1cc(Cc2cccc(F)c2)nc1N 199550167 GQRPHTIJRUOLRS-UHFFFAOYSA-N 219.263 2.215 0 40 BEAB CC(=O)c1ccc([C@H]2CCNC(=O)C2)c(C)c1 199776308 ISQQAWUYJSFQID-LBPRGKRZSA-N 231.295 2.191 0 40 BEAB CNCc1cccn1-c1ccccc1F 222347087 WTCMKCKICUCYIR-UHFFFAOYSA-N 204.248 2.336 0 40 BEAB CCOC(=O)c1nc(C)nc(Cl)c1Cl 238279507 YYZQKYQIAXYTAL-UHFFFAOYSA-N 235.070 2.269 0 40 BEAB C[C@@H]1CN(c2ncc(C(=O)O)s2)[C@@H](C)[C@@H]1C 399551430 BONFVHCNCNLXEH-PRJMDXOYSA-N 240.328 2.322 0 40 BEAB CCOC(=O)c1c(Cl)cnn1C(F)F 408717113 VXDSEEWFFYVEES-UHFFFAOYSA-N 224.594 2.108 0 40 BEAB CCNC(=O)NCc1ccc(-c2ccoc2)o1 575609705 FBEXEIDKNSXSPP-UHFFFAOYSA-N 234.255 2.359 0 40 BEAB O[C@@H]1CC[C@@H]1NCc1cccc(C(F)(F)F)c1 585297580 GXHVWHBVWOTBLW-WDEREUQCSA-N 245.244 2.318 0 40 BEAB Cc1nn(C)cc1CN1CCC(=C2CC2)CC1 585380394 SQTGRLMCGWDRLT-UHFFFAOYSA-N 231.343 2.415 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12CCCN2 953095574 HIGGOCDLORTFFA-MFKMUULPSA-N 240.347 2.186 0 40 BEAB Cc1nnsc1C(=O)Nc1ccccc1F 385512 TVZSRIACTAYVQV-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB O[C@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 507394 JFIGMNBDLSGWHQ-CRWXNKLISA-N 223.360 2.412 0 40 BEAB O=C(O)c1ccc(-n2cnc3ccccc32)nc1 4002791 SNDXUZCJYYFCQP-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB Cc1cc(NCCCN(C)C)nc(C(C)C)n1 4087987 ZDJXRPWCTAAVRO-UHFFFAOYSA-N 236.363 2.272 0 40 BEAB CC(C)CC(=O)Nc1ccc2c(c1)OCCO2 5384156 GDXFHGBQMPVDMH-UHFFFAOYSA-N 235.283 2.442 0 40 BEAB CCC(=O)Nc1nc(C)c(C(C)=O)s1 5416965 NJNQAMDADHOJDZ-UHFFFAOYSA-N 212.274 2.003 0 40 BEAB COc1ccc([C@H](CN)c2ccc(N)cc2)cc1 5550186 MKBLPQLPMPUOKE-OAHLLOKOSA-N 242.322 2.368 0 40 BEAB C[C@@H](NC(=O)c1cnc2ccccc2n1)C1CC1 8429782 UNQXBDVUVWZRPV-SECBINFHSA-N 241.294 2.158 0 40 BEAB Cc1cc(C)c(NC(=O)Cn2ccnc2)c(C)c1 10809334 OUXIDOMJVOPAFT-UHFFFAOYSA-N 243.310 2.447 0 40 BEAB CCC[C@@H]1NC(=O)N(Cc2ccccc2C)C1=O 10907807 MRAJSWBBQLZMOU-LBPRGKRZSA-N 246.310 2.216 0 40 BEAB Cc1cccc(C(=O)NCc2ccccc2)n1 12553535 HJTAVSMFNNVGAA-UHFFFAOYSA-N 226.279 2.320 0 40 BEAB COc1cc(SC)ccc1C(=O)N1CCC1 12926099 RFZJJIJPGKAKOF-UHFFFAOYSA-N 237.324 2.263 0 40 BEAB FC(F)(F)c1ccc(O[C@@H]2CCNC2)cc1 14632235 PCAYMJNBVVDVHU-SNVBAGLBSA-N 231.217 2.446 0 40 BEAB in-vitro Oc1n[nH]c2c(Br)cccc12 14985620 SGRPRIZUCOTXRE-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB Cc1cc(O)c(-c2ccnc(N)n2)cc1Cl 15022179 KXTVFBAUIPWOPB-UHFFFAOYSA-N 235.674 2.393 0 40 BEAB COc1cccc(C(=O)C[C@@H](C)CC(=O)O)c1 15441748 GTOHGLAQCKOYOL-SECBINFHSA-N 236.267 2.379 0 40 BEAB COc1ccc([C@@H](C(=O)O)C2CC2)cc1OC 19726486 UGTICACXPHUAND-LBPRGKRZSA-N 236.267 2.282 0 40 BEAB CC[C@@H]1c2ccsc2CCN1C(=O)COC 32781331 UMDSHPPGSXCPRG-SNVBAGLBSA-N 239.340 2.230 0 40 BEAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccn1 32841328 QMXQHIZLRAGABF-WCQYABFASA-N 247.342 2.460 0 40 BEAB O=C(O)c1ccc2c(c1)nc1n2CCCCC1 32918748 ONJSWNJRJCCHLA-UHFFFAOYSA-N 230.267 2.461 0 40 BEAB Cc1nn(-c2ccccc2)c2ncc(N)cc12 33464610 GJNNMWSYRCMPIE-UHFFFAOYSA-N 224.267 2.311 0 40 BEAB O=[S@@](O)c1sccc1Br 34122130 LWQSTXOXONVTGC-UHFFFAOYSA-N 227.104 2.091 0 40 BEAB CCCN(CCC)CC[C@H]1CCCNC1 34449412 PKRKKEJAJVVWQO-CYBMUJFWSA-N 212.381 2.498 0 40 BEAB NC[C@@H](N)c1ccc(OCc2ccccc2)cc1 35677082 NWFCYTZWYNFJAU-OAHLLOKOSA-N 242.322 2.224 0 40 BEAB COC(=O)CCCOc1ccc(F)cc1 37250975 VLNDEMFZCODEAU-UHFFFAOYSA-N 212.220 2.158 0 40 BEAB COc1cccc([C@@H](CN)N2CCC(C)CC2)c1 38808884 KCIUKWKSSGWHEG-OAHLLOKOSA-N 248.370 2.427 0 40 BEAB Cc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)s1 42511355 DLTPFNMXBUDSKO-VIFPVBQESA-N 249.339 2.072 0 40 BEAB COc1cccc(-c2c[nH]cc2C(=O)N(C)C)c1 69418923 GYIZJILTLSONOF-UHFFFAOYSA-N 244.294 2.392 0 40 BEAB Cc1cnc(NCc2scnc2C)nc1 70837160 HTAVHNGESFXEOK-UHFFFAOYSA-N 220.301 2.162 0 40 BEAB CCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H]1C 71799470 JFYPROAWMPWVIG-JGVFFNPUSA-N 220.263 2.082 0 40 BEAB CCn1nccc1NC(=O)[C@H]1CC=CCC1 72242246 HRDUKYXZLSZDBD-JTQLQIEISA-N 219.288 2.198 0 40 BEAB COC(=O)CCc1ccc(OC(F)F)cc1 78406293 YWNYCYRHVKPGEK-UHFFFAOYSA-N 230.210 2.394 0 40 BEAB COC(=O)[C@@H](c1cccc(C)c1)C1CCNCC1 84078669 LSELFUWSBGGBJT-CQSZACIVSA-N 247.338 2.251 0 40 BEAB CC(C)Nc1ncccc1C(=O)N1CCCC1 89887723 ZKNVVQAZBHMQPH-UHFFFAOYSA-N 233.315 2.138 0 40 BEAB C[C@@H]1C[C@H](C(=O)OC2(C)CCC2)CCC1=O 95461536 KZHQJEHEUQINIJ-NXEZZACHSA-N 224.300 2.478 0 40 BEAB O=[N+]([O-])c1ccc(N/N=C/[C@@H]2CCOC2)cc1 95946969 OISYWDYMPKCYKT-SZUMLMDFSA-N 235.243 2.029 0 40 BEAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)N)cc1 95971006 OGSJAOWCZSVGIW-AAEUAGOBSA-N 232.327 2.006 0 40 BEAB Cc1ccncc1COC[C@@]12CCC[C@@H]1CNC2 96218269 NZRRQFKHNGQJEP-CABCVRRESA-N 246.354 2.296 0 40 BEAB Cc1cc2c(cc(C(=O)O)n2C[C@H]2CCCO2)o1 96516218 DFAHEQODECXSDL-SECBINFHSA-N 249.266 2.420 0 40 BEAB CC(C)(C)[C@H](O)CNC[C@@H]1CC=CCC1 97020832 WQSFXPBWZZSUGD-VXGBXAGGSA-N 211.349 2.339 0 40 BEAB O=C(Nc1ncccc1Cl)c1cccnc1 97046962 FSERHKSXATXEPG-UHFFFAOYSA-N 233.658 2.382 0 40 BEAB Cc1cnn(Cc2noc3c2CCCC3)c1 98013762 BUHPWEARWDDWCB-UHFFFAOYSA-N 217.272 2.107 0 40 BEAB COCCOC[C@H]1CCN([C@@H]2C=CCCC2)C1 195531526 PLRZOMPXTVHEEP-UONOGXRCSA-N 239.359 2.080 0 40 BEAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)CCN 195542329 RMLOYUQFANSPHU-UHFFFAOYSA-N 246.354 2.222 0 40 BEAB CCCNC(=O)NC(C(C)C)C(C)C 225771847 BPUFSRJMVHXNJC-UHFFFAOYSA-N 200.326 2.376 0 40 BEAB COC(=O)C1(c2cc(F)ccc2OC)CC1 258276173 PROXKIIHZOYYLP-UHFFFAOYSA-N 224.231 2.039 0 40 BEAB CCn1nc(C)c(CNCC(F)(F)F)c1C 276507443 YXKQYRIWCNPEJE-UHFFFAOYSA-N 235.253 2.172 0 40 BEAB CC(=O)OCC(=O)c1cccc(F)c1Cl 308832203 UOLJJLGOBPPQIJ-UHFFFAOYSA-N 230.622 2.225 0 40 BEAB CCCCNC(=S)N[C@@H]1CSC1(C)C 393814991 XBQWQGYBVQHBSG-MRVPVSSYSA-N 232.418 2.145 0 40 BEAB COC(=O)c1nn(C2CCCC2)cc1Cl 408716384 MLAWJPQMOKDDRE-UHFFFAOYSA-N 228.679 2.438 0 40 BEAB CC(=O)NCCSCc1cccc(C)c1 408908962 ZNBFLQMNDSTZNZ-UHFFFAOYSA-N 223.341 2.364 0 40 BEAB CC1(C)C[C@H](CC(=O)OC(C)(C)C)CCN1 1887618033 PSJYFTOQBWLYGF-JTQLQIEISA-N 227.348 2.496 0 40 BEAB Nc1cccc(C(=O)Nc2ccc(O)cc2)c1 262115 JWKHGQGMYPBLGD-UHFFFAOYSA-N 228.251 2.227 0 40 BEAB C[C@H](CC[C@@H](N)C(=O)O)CC(C)(C)C 1570987 LQPHHJWZDMPTML-RKDXNWHRSA-N 201.310 2.251 0 40 BEAB CCNC(=O)NCc1ccccc1Cl 1739153 YQQWSVNCEMTZJG-UHFFFAOYSA-N 212.680 2.159 0 40 BEAB CC1CCN(CCc2ccncc2)CC1 2582073 XYZVKJBAWYFZPE-UHFFFAOYSA-N 204.317 2.356 0 40 BEAB CCc1cccc(C)c1NC(=O)COC(C)=O 2646318 WJAPITLZDXLKEC-UHFFFAOYSA-N 235.283 2.059 0 40 BEAB C[C@](N)(C(=O)O)c1ccc2ccccc2c1 3677085 TWZOVALINORIBA-CYBMUJFWSA-N 215.252 2.098 0 40 BEAB CCO/C(C)=C1\N=C(c2ccccc2)OC1=O 5312260 OCUKNVJNEOPYAH-LUAWRHEFSA-N 231.251 2.258 0 40 BEAB CC(C)OC(=O)C[C@H](N)c1ccccc1 7784520 VJZAAPSRRTVRQL-NSHDSACASA-N 207.273 2.028 0 40 BEAB in-vitro CCNC(=O)[C@@H](CC)Oc1ccc(C)cc1 8496997 MEYYDGBYADJNOM-GFCCVEGCSA-N 221.300 2.289 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1F 10030144 GHZREYDCAKEYHR-ZETCQYMHSA-N 249.282 2.042 0 40 BEAB COc1ccc(OCCC2CCNCC2)cc1 14632393 KTVFTLDKWJJHKP-UHFFFAOYSA-N 235.327 2.464 0 40 BEAB Nc1ccc(-c2ccc(Cl)cc2)nn1 15021762 UPKPYBJMJKISBG-UHFFFAOYSA-N 205.648 2.379 0 40 BEAB Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)s1 16603974 CFKIOTBWINBACY-NXEZZACHSA-N 239.340 2.354 0 40 BEAB COC[C@@H](C)Oc1ccc2nc(N)sc2c1 20133689 JMCVSWAZLRYPBB-SSDOTTSWSA-N 238.312 2.292 0 40 BEAB C[C@@H](c1cccc(Cl)c1)N1CCNCC1 22115295 KJMZWWHGQDDCQJ-JTQLQIEISA-N 224.735 2.306 0 40 BEAB CCN1CCN(C(=O)CC2CCCCC2)CC1 28896096 ZXOWCFUEOANBIY-UHFFFAOYSA-N 238.375 2.121 0 40 BEAB CC(=O)Nc1ccnn1CC1CCCCC1 32738370 YLOFWGBOUAMIHX-UHFFFAOYSA-N 221.304 2.422 0 40 BEAB CC(C)(C)CNC(=O)c1ccc(C(=O)O)cc1 40495108 SOIKFRVPSFTGTC-UHFFFAOYSA-N 235.283 2.161 0 40 BEAB in-vitro O=C(O)[C@@H](OC1CCOCC1)c1ccccc1 40991522 BDHACESTUPCZAC-LBPRGKRZSA-N 236.267 2.008 0 40 BEAB CC(C)COc1ccc(C(=O)NC2CC2)cn1 42566771 HZCGQSXBPMUJMS-UHFFFAOYSA-N 234.299 2.009 0 40 BEAB Cc1cc(N)cc(Br)c1F 44564097 QZVKPIOMMWAMLG-UHFFFAOYSA-N 204.042 2.479 0 40 BEAB Fc1cc2[nH]cc(Br)c2cn1 44700103 IYSLZBZCYCYBHH-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB COc1ncccc1NC(=O)c1cccc(F)c1 47553890 ATTYHMZDHDDVHY-UHFFFAOYSA-N 246.241 2.482 0 40 BEAB Cc1nc(-c2cc(N)cc(C(F)(F)F)c2)n[nH]1 48630627 GOJGZQUIMGDXNT-UHFFFAOYSA-N 242.204 2.381 0 40 BEAB CCC(O)(CC)CNC(=O)Nc1ccccc1 49516964 ARONBQOWPWUJFX-UHFFFAOYSA-N 236.315 2.359 0 40 BEAB Cc1noc([C@H](C)N2CCCCCC2)n1 65539233 LAOSOOZLUQSHSB-VIFPVBQESA-N 209.293 2.315 0 40 BEAB OC[C@@H](c1ccc(F)c(F)c1)N1CCCC1 70453249 HCYAJXNBVBUXHX-LBPRGKRZSA-N 227.254 2.094 0 40 BEAB Cc1cccc(C(=O)N[C@@H]2CNCC[C@@H]2C)c1C 71412512 BXPMLCHPRUILLL-SMDDNHRTSA-N 246.354 2.031 0 40 BEAB CN1CCC(CN(C)[C@@H]2C=CCCC2)CC1 71915663 BHQMRKSFVDJVDO-CQSZACIVSA-N 222.376 2.369 0 40 BEAB C[C@H](C(=O)O)c1ccc(N)c(Br)c1 72207314 XNNSUUSTGGEJDY-YFKPBYRVSA-N 244.088 2.219 0 40 BEAB Cc1nc(N2CCCCCC2)ccc1CCO 72224586 MFQULRRAAJOCKJ-UHFFFAOYSA-N 234.343 2.305 0 40 BEAB Cn1ccnc1CN1CCC[C@@H]1c1ccccn1 72381907 OIYFEUIJSZKAJW-CYBMUJFWSA-N 242.326 2.152 0 40 BEAB O=C(NCc1ccccc1)c1ncccc1F 75910491 WWKBCFLURDTNRX-UHFFFAOYSA-N 230.242 2.151 0 40 BEAB O=C(O)C(=O)c1c[nH]c2ccc(Cl)cc12 82362006 YAVOOWMYDBLTGN-UHFFFAOYSA-N 223.615 2.089 0 40 BEAB Nc1cccc(-c2nnc([C@H]3CCCO3)o2)c1 83357931 AMGXSJCOCQPKNL-SNVBAGLBSA-N 231.255 2.170 0 40 BEAB CCc1cccc2c(C(=O)O)ccnc12 83984246 OITOTRKRSUTPAM-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB C[C@H](O)c1cccc(OCc2ccon2)c1 84656273 CSETXJQBFGTTSF-VIFPVBQESA-N 219.240 2.307 0 40 BEAB O=C1CN(C(=O)C2=CCCC2)c2ccccc2N1 89865672 QPAFLHXRQYGHSK-UHFFFAOYSA-N 242.278 2.082 0 40 BEAB CC(C)(C)OC(=O)N1CC2(CCCCOC2)C1 91304484 BQEBJIRURVWXDV-UHFFFAOYSA-N 241.331 2.424 0 40 BEAB in-vitro Cc1cncc(NC(=O)OC(C)(C)C)n1 95931283 FPUNPVVPBDANDE-UHFFFAOYSA-N 209.249 2.132 0 40 BEAB COC[C@H](C)C(=O)Nc1ccnc(C)c1Cl 96008240 FELCXKJXWAUJGB-ZETCQYMHSA-N 242.706 2.264 0 40 BEAB O=C(NCCC1CC1)NCC[C@H]1CCCCO1 97055109 KMKHVTANTJNZME-GFCCVEGCSA-N 240.347 2.045 0 40 BEAB COc1ccc(Cn2cc(C)cn2)cc1F 98013759 YCJLSAPAVYNGOX-UHFFFAOYSA-N 220.247 2.388 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(S)nnc12 100642311 FYDIWFZMQQDSND-KSBSHMNSSA-N 221.329 2.335 0 40 BEAB CC1(C)[C@@]2(CC(N)=S)CC[C@@]1(C)C(=O)C2 103708314 UTXWNPUTMIPZSH-RYUDHWBXSA-N 225.357 2.448 0 40 BEAB C/N=c1/scc(-c2ccc3c(c2)OCO3)n1C 105777279 SCCWFKXCVRSWDN-OUKQBFOZSA-N 248.307 2.013 0 40 BEAB CSCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 107064941 JCOXCATWCBUZFZ-INTQDDNPSA-N 244.356 2.096 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@H]1CF 214835678 CFAOXBZSEABMKT-QMMMGPOBSA-N 203.257 2.355 0 40 BEAB COCCSc1ccc(OC)c(C(=O)O)c1 218300800 BQWRSJKTZSKJEV-UHFFFAOYSA-N 242.296 2.132 0 40 BEAB CC(=O)c1cnc(F)c(Br)c1 238153700 MPOPKKNVDNMPBH-UHFFFAOYSA-N 218.025 2.186 0 40 BEAB Cc1ncn(C[C@@H]2CC(C)(C)CO2)c1C 631011810 DVDXATJHWUJHSN-NSHDSACASA-N 208.305 2.315 0 40 BEAB O=Cc1c(F)cc(OCC(F)F)cc1F 1776010732 KXMAGZKMKKRBNY-UHFFFAOYSA-N 222.137 2.421 0 40 BEAB O=C1c2ccccc2C(=O)N1SC(F)F 1848351090 OQBMFKJNYUEAIV-UHFFFAOYSA-N 229.207 2.153 0 40 BEAB Cc1nc(N(C)C)c2sc(=S)n(C)c2n1 118009 IZBCYVNWUBEPQG-UHFFFAOYSA-N 240.357 2.134 0 40 BEAB aggregator Cc1cc(Cl)nc(-n2nc(C)cc2C)n1 494675 KWSKLMBENWXRSB-UHFFFAOYSA-N 222.679 2.241 0 40 BEAB O=C(Nc1ccccc1Cl)c1ccc(O)nn1 535760 FNSAPPHWJBMVBE-UHFFFAOYSA-N 249.657 2.088 0 40 BEAB OCc1ccccc1C[C@@H](O)c1ccccc1 1632689 RFLMOIAJQWNMMD-OAHLLOKOSA-N 228.291 2.455 0 40 BEAB O[C@H](c1ccc2ccccc2n1)[C@@H]1CCCCN1 1730923 LSNMFZBXDRDBIG-ZFWWWQNUSA-N 242.322 2.410 0 40 BEAB Cc1cc(C)n(CNc2ccc(C(=O)O)cc2)n1 3852207 CNKABRURYDJZAR-UHFFFAOYSA-N 245.282 2.268 0 40 BEAB biogenic O=C(NC1CCCC1)c1ccc2[nH]cnc2c1 4103265 DTTXUIRLYICZHO-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB O=C(NCc1ccco1)c1ccc2c(c1)CCO2 4324796 XNWAMFICMGJADL-UHFFFAOYSA-N 243.262 2.145 0 40 BEAB CCCCNC(=O)c1ccccc1OC 5465851 VNKGKMPGQVYXMM-UHFFFAOYSA-N 207.273 2.225 0 40 BEAB COC(=O)C(=C(C)C)[S@@](=O)c1ccccc1 5601285 PLIXTMQJPJQWCV-MRXNPFEDSA-N 238.308 2.261 0 40 BEAB CCC(CC)C(=O)Nc1nnc(S)s1 6050674 XYPWNXXERNBUPZ-UHFFFAOYSA-N 231.346 2.202 0 40 BEAB CCOc1ccc2c(CC(=O)O)coc2c1 8325057 YQIPPSUAYPHPQA-UHFFFAOYSA-N 220.224 2.459 0 40 BEAB CCCC(=O)N1CCn2c1nc1ccccc12 12537163 IFTLWKVBSFRJRG-UHFFFAOYSA-N 229.283 2.183 0 40 BEAB Cc1ccc(C(=O)N2CCO[C@H](C)C2)cc1C 12976607 KRCMZCBXJYFAHQ-GFCCVEGCSA-N 233.311 2.164 0 40 BEAB Cc1cc(NC(=O)Cc2ccccc2)on1 13596827 BJNZFEIQRLPCCF-UHFFFAOYSA-N 216.240 2.164 0 40 BEAB CC(C)N1CN(C(C)C)CN(C(C)C)C1 19325815 FBXRCTMIDHCRDT-UHFFFAOYSA-N 213.369 2.004 0 40 BEAB NC(=O)c1cccc(NC2CCCC2)c1 20124812 AGPQYFXCEJHAIL-UHFFFAOYSA-N 204.273 2.140 0 40 BEAB COc1ccc(OC)c2c1C[C@@H](C)C2=O 21989871 PJJMKVJLFRGNKC-SSDOTTSWSA-N 206.241 2.079 0 40 BEAB Cc1cccc(NC(=O)n2cccn2)c1 28226180 KHPJNKBYXDCZOQ-UHFFFAOYSA-N 201.229 2.272 0 40 BEAB CCCCN(CCCC)C(=O)n1cc[n+](C)c1 32628689 FRNMBGCJQBEUAK-UHFFFAOYSA-N 238.355 2.183 0 40 BEAB in-vitro COc1ccc([C@@H]2CCCN2C(C)=O)cc1OC 32904674 FUKMPIJOBJEHBJ-LBPRGKRZSA-N 249.310 2.387 0 40 BEAB COc1cc(Br)cc2c1OCO2 34557758 PQIWDZBUHXVOKA-UHFFFAOYSA-N 231.045 2.186 0 40 BEAB CCC[C@H]1NCCN(C(=O)OC(C)(C)C)[C@@H]1C 34781548 OEBUSDBRXUSYID-GHMZBOCLSA-N 242.363 2.384 0 40 BEAB O=C(Cc1ccccc1Cl)Nc1cn[nH]c1 35237404 VRHQKRVRGFLHBQ-UHFFFAOYSA-N 235.674 2.244 0 40 BEAB COc1cccc(OCC[C@H]2CCNC2)c1 35598501 JUWMQOQESYDXLC-LLVKDONJSA-N 221.300 2.074 0 40 BEAB CC[C@@H](C)NC(=O)CC1(C(=O)O)CCCCC1 35721109 DWPQSIAUUMZYHJ-SNVBAGLBSA-N 241.331 2.326 0 40 BEAB Brc1ccccc1O[C@@H]1CCNC1 36142111 NUPVGPCMRJIIPJ-MRVPVSSYSA-N 242.116 2.190 0 40 BEAB O=C(NCCc1ccsc1)C1CCC1 36392901 NWCUHUPARYTCJY-UHFFFAOYSA-N 209.314 2.207 0 40 BEAB Cc1ccc(C)c([C@@H]2CN[C@H](C)CO2)c1 36986458 UPQRMTDTWIYURA-YPMHNXCESA-N 205.301 2.353 0 40 BEAB in-vitro CCn1cc(NC(=O)c2ccc(F)cc2)cn1 37501556 OBDJLTJVFBLJIR-UHFFFAOYSA-N 233.246 2.294 0 40 BEAB C[C@H]1CNc2ncc(Br)cc2C1 38478018 WFNARPRWIPKUJB-ZCFIWIBFSA-N 227.105 2.448 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](O)CCC[C@H]21 38526314 MRMYRYLVMIZVQM-AXFHLTTASA-N 241.331 2.157 0 40 BEAB Cc1cccc(NC(=O)c2c(C)noc2C)n1 40462311 FAEKKPGDJPHWJY-UHFFFAOYSA-N 231.255 2.247 0 40 BEAB CC(=O)NCc1ccccc1OC(F)(F)F 40476218 LYYBXRRVIOTZML-UHFFFAOYSA-N 233.189 2.221 0 40 BEAB Cc1ccc(OC2CNC2)c(Br)c1 42769845 FLUDJSSWONWTKJ-UHFFFAOYSA-N 242.116 2.108 0 40 BEAB FC(F)(F)c1ccc(O[C@H]2CCCNC2)nc1 42783022 FHCJOGNEXXZZNR-VIFPVBQESA-N 246.232 2.231 0 40 BEAB OCc1ccc(OCC(F)F)c(Cl)c1 43489810 GYDSVMVKGGFCEP-UHFFFAOYSA-N 222.618 2.476 0 40 BEAB CCCc1c(C(=O)N(C)C)[nH]c(C)c1C(C)=O 48314060 PQPDAVKOOIVIMB-UHFFFAOYSA-N 236.315 2.180 0 40 BEAB CC(C)=CC(=O)NCc1ccc(OC(C)C)nc1 48516927 JYXVXJMPNKPUKJ-UHFFFAOYSA-N 248.326 2.451 0 40 BEAB Cc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1 51188153 UNGUCYBEACYRKC-LSDHHAIUSA-N 243.306 2.336 0 40 BEAB CN(C)C(=O)COc1cc(Cl)cc(Cl)c1 58698452 SDMJVTZKHZEIOZ-UHFFFAOYSA-N 248.109 2.460 0 40 BEAB CCOC(=O)CN1CCC[C@H]1c1ccsc1 65624328 ARKPDSSPTOQELQ-NSHDSACASA-N 239.340 2.448 0 40 BEAB CC[C@](C)(N)COc1ncccc1Cl 70880465 KXWMMKQZRYVDAL-JTQLQIEISA-N 214.696 2.241 0 40 BEAB in-vitro Brc1cnc(OC2CCC2)nc1 72192009 APSFUHNWFXKNDL-UHFFFAOYSA-N 229.077 2.170 0 40 BEAB CCCCOc1ccccc1C(=O)CN 72220132 MVEZLGAFFNZHOH-UHFFFAOYSA-N 207.273 2.007 0 40 BEAB Cc1nc2c(s1)CCc1oc(C(N)=O)c(C)c1-2 72221214 RGSQZVALFHCDCX-UHFFFAOYSA-N 248.307 2.217 0 40 BEAB Cc1cncc([C@H]2CCCN2C(=O)C2CCC2)n1 72357199 ZERQBFAFDXIJKZ-CYBMUJFWSA-N 245.326 2.249 0 40 BEAB Clc1nccn2c(Br)ncc12 75842555 AYURINKSEQLEKG-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB CN1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 82335691 FZOPBHRKSYXATC-JTQLQIEISA-N 236.290 2.106 0 40 BEAB CSC[C@H]1CCCN1CCc1ccncc1 89493471 TYGJWLYKOKKVCD-CYBMUJFWSA-N 236.384 2.452 0 40 BEAB Cc1csc(=O)n1Cc1ccn(C(C)C)n1 89702612 AIRJVCFKSRGADE-UHFFFAOYSA-N 237.328 2.044 0 40 BEAB CNC(=O)C[C@H](C)Nc1ccc(C)cc1C 95951433 BAHGLGHNEYJAMJ-NSHDSACASA-N 220.316 2.240 0 40 BEAB CCOCCn1ccc2sccc2c1=O 97238224 PUITWKCFPWVBJG-UHFFFAOYSA-N 223.297 2.100 0 40 BEAB CCOC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1 98072745 JCJZOMFERPNRMY-MNOVXSKESA-N 243.372 2.161 0 40 BEAB Cc1ncc(Br)c(N)c1C 214884613 MMTMNOXMXZDXFU-UHFFFAOYSA-N 201.067 2.043 0 40 BEAB C[C@H]1C[C@@H](C)Nc2cc(OCC(=O)O)ccc21 217613046 KBNHGSBSGMCWGC-DTWKUNHWSA-N 235.283 2.458 0 40 BEAB CCOc1ccccc1N1CCN[C@@H]2CCC[C@H]21 218845742 ILMRDPMGWTWVDY-CHWSQXEVSA-N 246.354 2.416 0 40 BEAB O=C1CCc2cc(O)cc(Br)c21 238716696 ANKUGHCOBSLCDD-UHFFFAOYSA-N 227.057 2.284 0 40 BEAB N[C@@]12C[C@@H]1CN(Cc1ccc(Cl)c(F)c1)C2 247692727 XHWADQIBDOKNPJ-BXKDBHETSA-N 240.709 2.012 0 40 BEAB CN(Cc1ccccc1)[C@H]1CCC[C@H]1O 250224071 IXHIAEDIWOYRFY-QWHCGFSZSA-N 205.301 2.032 0 40 BEAB COc1ccc(CNc2nn(C)cc2C)cc1 256052543 NTJFTICJWBKNJH-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB O=C(NCc1cocn1)c1cc(Cl)cs1 757933654 YWPSDUYDOHEPHM-UHFFFAOYSA-N 242.687 2.320 0 40 BEAB CC(C)CNCC1OCc2ccccc2CO1 195221 ZEKYUNSJZVNFLX-UHFFFAOYSA-N 235.327 2.305 0 40 BEAB biogenic O=C(O)[C@@H]1CCCN(c2nc3ccccc3o2)C1 259645 MYGBXELIXXVZAA-SECBINFHSA-N 246.266 2.129 0 40 BEAB COC1=CC(=O)O[C@H](c2ccc(OC)cc2)C1 1608662 SRIUDLJQIGIDLG-LBPRGKRZSA-N 234.251 2.214 0 40 BEAB Cn1cnc2c(C(F)(F)F)nc(Cl)nc21 1693758 AVWDQAFPAQLSFQ-UHFFFAOYSA-N 236.584 2.036 0 40 BEAB CCN(CC)C(=O)[C@@H](C)n1ncc(Cl)c1C 2778889 DJKOVPIPLZGQAC-SECBINFHSA-N 243.738 2.274 0 40 BEAB Cc1c2n(c3ccccc13)C[C@H]1CON(C)[C@H]21 5552333 RCJBKGVIIPIVRD-HZMBPMFUSA-N 228.295 2.498 0 40 BEAB O=C(O)c1ccc(-n2cnc3cccnc32)cc1 6750291 JNZPSLYBUITEJB-UHFFFAOYSA-N 239.234 2.119 0 40 BEAB Cc1ccnc(NC(=O)c2ccoc2)c1 12545877 JTJAMVNDUVARCA-UHFFFAOYSA-N 202.213 2.235 0 40 BEAB Cc1nnc(NCc2ccc(Cl)cc2)[nH]1 15356878 LRLRGEUDCHUSTB-UHFFFAOYSA-N 222.679 2.379 0 40 BEAB CSc1nc(Cc2ccccc2)cc(=O)[nH]1 17836804 FQRCZXHZAKAIFX-UHFFFAOYSA-N 232.308 2.083 0 40 BEAB CC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C 19505548 BMSVXURYDSJPDJ-GZMMTYOYSA-N 217.268 2.484 0 40 BEAB Cc1noc(C)c1CNc1ccc(C(N)=O)cc1 20252943 DSNFDDDFFQHUFI-UHFFFAOYSA-N 245.282 2.002 0 40 BEAB CC(=O)c1csc(NC(=O)c2ccoc2)n1 26867393 VYNNZSCOYSVOMQ-UHFFFAOYSA-N 236.252 2.191 0 40 BEAB COC(=O)c1cncn1C1CCCCC1 34305726 ZQMPDYCRNWURNZ-UHFFFAOYSA-N 208.261 2.175 0 40 BEAB N[C@@H](C(=O)Cc1ccccc1)c1ccccc1 34566573 AVNHUMRHWIRPDF-OAHLLOKOSA-N 225.291 2.498 0 40 BEAB CCOC(=O)CCN1CCCC[C@H]1CC 37022149 SJHABLQGMCNJEF-LLVKDONJSA-N 213.321 2.204 0 40 BEAB Cc1c(Cl)cccc1N1CCC(=O)C1 37239850 CVRBEHKHNTUKRT-UHFFFAOYSA-N 209.676 2.428 0 40 BEAB CC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 37362444 SWBRGYCXRGORSY-RYUDHWBXSA-N 202.253 2.314 0 40 BEAB CC(=O)[C@H]1C[C@H]1c1ccc2c(c1)CCO2 37362446 SWBRGYCXRGORSY-NEPJUHHUSA-N 202.253 2.314 0 40 BEAB Cc1ncc(CNc2cccnc2)s1 37796972 SYLWQOREIWJUKU-UHFFFAOYSA-N 205.286 2.459 0 40 BEAB C=CC(=O)N1CCC[C@@H]1Cc1ccccc1 37829641 ACJDVVYODFZAAA-CYBMUJFWSA-N 215.296 2.406 0 40 BEAB Cc1ccc2nc(C)cc(N3CCNCC3)c2c1 40175088 XSEFZXQHIYJGED-UHFFFAOYSA-N 241.338 2.261 0 40 BEAB O=C1CCC(C(=O)OCc2ccccc2)CC1 40435314 AMDOCFYEPPIDNK-UHFFFAOYSA-N 232.279 2.489 0 40 BEAB CCCCN(CC)C(=O)[C@@H](N)C(C)(C)C 40458300 KTBACJIQGMRAKB-SNVBAGLBSA-N 214.353 2.008 0 40 BEAB CC[C@H](C)CN[C@H](CC(C)C)C(=O)O 43432835 SMPOLFVHBCTPIZ-VHSXEESVSA-N 201.310 2.121 0 40 BEAB Cc1cc(N[C@H](C)CCc2ccco2)nc(N)n1 43533183 TWMYPQSUFUEZQZ-SECBINFHSA-N 246.314 2.393 0 40 BEAB Cc1cccc(Cn2cccc2CN)c1 49453088 GXAQBHYDBTZQDB-UHFFFAOYSA-N 200.285 2.304 0 40 BEAB COC(=O)CN1CCC[C@H]1c1cccs1 53096025 FODZDDIUETWJOE-VIFPVBQESA-N 225.313 2.058 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H](N)C1CCCCC1 62152032 QDPJHDPETSIJBG-LLVKDONJSA-N 242.363 2.419 0 40 BEAB in-vitro CCOC(=O)c1cc(N)c(F)cc1Cl 62350298 ZSPZAOASMCGAES-UHFFFAOYSA-N 217.627 2.238 0 40 BEAB OCc1cc(Cl)nc(-c2ccccc2)n1 63110926 AYYPUBBUSUVHIV-UHFFFAOYSA-N 220.659 2.289 0 40 BEAB Cc1ncccc1CN[C@H](C)[C@H](C)n1cccn1 69350012 ALHJVZMXBWSESZ-YPMHNXCESA-N 244.342 2.326 0 40 BEAB Cc1cccc(C2(C(N)=O)CCCC2)c1 69620410 SNWJWFDAADBMRO-UHFFFAOYSA-N 203.285 2.292 0 40 BEAB CN1CCC[C@H]1c1cccc(N2CCCC2)n1 72386404 ITBAWELFJHINFA-ZDUSSCGKSA-N 231.343 2.449 0 40 BEAB CCC(=O)NCCCc1cccc(C)c1 74554261 HRTPQSPFIAIXOL-UHFFFAOYSA-N 205.301 2.454 0 40 BEAB O[C@@H](C[C@H]1CCCN1)c1ccc(F)cc1 82164146 UTJNCRYNTQHBFX-NEPJUHHUSA-N 209.264 2.001 0 40 BEAB in-vitro COC(C)(C)C[C@H](C)NCc1cscn1 82626032 JVXRTBCQZDHGPJ-VIFPVBQESA-N 228.361 2.436 0 40 BEAB CCCCCCNCc1cc(C)nn1C 84244642 UZOYUYXDWPJSRI-UHFFFAOYSA-N 209.337 2.398 0 40 BEAB C[C@H]1CN(Cc2ccon2)C[C@@H](C)S1 89937102 NLYZUGFAXNYEPE-DTORHVGOSA-N 212.318 2.000 0 40 BEAB CCc1cc2c(N3CCCO3)ncnc2s1 96011371 HIGXNYJDYGRCSY-UHFFFAOYSA-N 235.312 2.395 0 40 BEAB CC[C@H](COc1ccccc1)N[C@@H]1CCOC1 96477663 JYQVRWQRDMISPY-CHWSQXEVSA-N 235.327 2.223 0 40 BEAB C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCCO1 96501721 LCHNEYMYERFGRS-NXEZZACHSA-N 212.293 2.007 0 40 BEAB C[C@H]1CCCN(S(C)(=O)=O)c2ccccc21 97114740 GJVMRFJADUJRRS-JTQLQIEISA-N 239.340 2.350 0 40 BEAB C[C@@H](O)[C@@H]1CCCN(Cc2cccs2)C1 97162216 XAGDLWVUYGWZCL-GHMZBOCLSA-N 225.357 2.341 0 40 BEAB N[C@@H]1CCN([C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 97165791 STHREKKEZYPTTF-RBSFLKMASA-N 248.345 2.495 0 40 BEAB O=C(CC(=O)c1ccccc1O)c1cccnc1 100102621 DFFMBOUEZILLNM-UHFFFAOYSA-N 241.246 2.243 0 40 BEAB Cc1ccc(C(=O)CC(=O)C(F)F)cc1 100405285 JPMQITHKRYMPHA-UHFFFAOYSA-N 212.195 2.402 0 40 BEAB N[C@H]1CC[C@H](NCc2ccccc2)CC1 100809555 GORHIXPUNZTGMZ-BETUJISGSA-N 204.317 2.046 0 40 BEAB CC(C)N1CCCC[C@@H]1c1cc(CCO)on1 205700381 FWWLZOMDFQOGFL-CYBMUJFWSA-N 238.331 2.145 0 40 BEAB CCS(=O)(=O)Nc1ccc2sncc2c1 223025038 OXYQFGJZRAUZNB-UHFFFAOYSA-N 242.325 2.058 0 40 BEAB CC(C)n1cc(Cl)c(-c2n[nH]c(=N)s2)n1 408717891 ZZRRXOOHUCOLGZ-UHFFFAOYSA-N 243.723 2.048 0 40 BEAB OC1(C(F)(F)F)CCC(F)(F)CC1 606278693 BIMXELWCTXCTQH-UHFFFAOYSA-N 204.138 2.489 0 40 BEAB Cc1nc(Cl)n2ccnc2c1Br 1777699180 CWMWZGDKBJDCPP-UHFFFAOYSA-N 246.495 2.454 0 40 BEAB O=C(c1cnccn1)N1CCCc2ccccc21 418335 FDOZVYXATUOQPZ-UHFFFAOYSA-N 239.278 2.070 0 40 BEAB O=c1c2ccccc2[nH]n1Cc1ccccc1 1667231 IBMDKBAGSDBZIJ-UHFFFAOYSA-N 224.263 2.378 0 40 BEAB CCOC(=O)c1c(-c2ccccc2)noc1N 1723217 RXAUWXZMIWBIES-UHFFFAOYSA-N 232.239 2.101 0 40 BEAB O=c1ccnc(Nc2cccc(Cl)c2)[nH]1 1906242 YBOHNQNCXZWDSL-UHFFFAOYSA-N 221.647 2.167 0 40 BEAB Cc1cc(C=O)c(C)n1-c1nccs1 4206745 POOXCXKWGLDXNJ-UHFFFAOYSA-N 206.270 2.363 0 40 BEAB in-vitro CC/C=C1/CC(=O)N(c2ccc(OC)cc2)C1=O 5345100 VMNHJIGDKIPYRW-WMZJFQQLSA-N 245.278 2.295 0 40 BEAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CC[C@@H]1C2 5390852 VKQOAGZLAPUKRD-UHTWSYAYSA-N 230.311 2.134 0 40 BEAB CC(C)NC(=O)CNc1ccccc1Cl 9155020 PTCGOKKUHVTJHQ-UHFFFAOYSA-N 226.707 2.277 0 40 BEAB O=C1NC(=O)/C(=C\c2ccc(Cl)nc2)S1 12406758 LZXOGHXTQAWNBJ-ZZXKWVIFSA-N 240.671 2.059 0 40 BEAB CCOC(=O)C(C)(/C=C\C(C)C)C(=O)OCC 17162185 ACWSITKGBGYMAF-HJWRWDBZSA-N 242.315 2.331 0 40 BEAB O=C(O)/C=C\Sc1ccccc1C(=O)O 17198676 ONAAIWDZSUXJJZ-WAYWQWQTSA-N 224.237 2.075 0 40 BEAB C[C@@H]1C[C@@H]1c1ccc(CNCCN(C)C)o1 19260202 DHAQBFIMXSUXJB-PWSUYJOCSA-N 222.332 2.054 0 40 BEAB Cc1nn(C)c2ncc(Br)cc12 19513220 RUOIWGDTWAGEOP-UHFFFAOYSA-N 226.077 2.039 0 40 BEAB in-vitro Cc1cccc2[nH]cc(CCC(=O)O)c12 20269208 NENSGINLKGHXBM-UHFFFAOYSA-N 203.241 2.494 0 40 BEAB in-vitro O=C(OCc1ccccc1)[C@H]1C[C@@H]2CCC[C@@H]2N1 21984128 KEDWLCOPRDSQBB-MELADBBJSA-N 245.322 2.260 0 40 BEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N)cc2)C1 22211984 AYRDHDUDIMCTDJ-GHMZBOCLSA-N 232.327 2.387 0 40 BEAB O=C(/C=C/c1ccncc1)NC1CCCC1 29108348 IQRZFVUWMHKDGJ-AATRIKPKSA-N 216.284 2.154 0 40 BEAB Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCC1 32828207 JCXANVRNCTVZAX-LBPRGKRZSA-N 247.342 2.104 0 40 BEAB O=C(c1ccccn1)N1CCOc2ccccc21 33167896 VWARKUKQVFYSAT-UHFFFAOYSA-N 240.262 2.121 0 40 BEAB NCCOc1cccc(NC(=O)C2CCCC2)c1 36682338 YLUQSKGKZCDKKC-UHFFFAOYSA-N 248.326 2.153 0 40 BEAB CC(C)(C)c1c[nH]c(C2CCNCC2)n1 36874262 YYGZDOWPSKSBPW-UHFFFAOYSA-N 207.321 2.174 0 40 BEAB COc1c(F)cc(CC(=O)O)cc1Cl 38529642 SGTDDWCLJYAKEL-UHFFFAOYSA-N 218.611 2.115 0 40 BEAB O=c1cnc(-c2ccc(Cl)cc2)c[nH]1 39618933 JFEQYHYTZCCRCM-UHFFFAOYSA-N 206.632 2.090 0 40 BEAB CC(C)CCC(=O)NCCc1ccccn1 40459735 PWNVLRZEEJBPOR-UHFFFAOYSA-N 220.316 2.177 0 40 BEAB Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)on1 40475784 FORYWDQVKRFDAB-NXEZZACHSA-N 208.305 2.461 0 40 BEAB CC(C)Oc1cccc(CN2CCC[C@@H](O)C2)c1 51203924 QOBZWDKLLFKEGM-CQSZACIVSA-N 249.354 2.431 0 40 BEAB C[C@H]1CCCC[C@@H]1NC(=O)c1csc(N)n1 55177424 VLMAQIPKRMWBRL-YUMQZZPRSA-N 239.344 2.034 0 40 BEAB COc1ccc(OC)c([C@H]2CCC[C@@H]2O)c1 55234907 QDKGJCFWZGXIJM-PWSUYJOCSA-N 222.284 2.332 0 40 BEAB CCOc1c(N)cc(Cl)cc1C(=O)O 57332069 AUVCYEBUWFFIIO-UHFFFAOYSA-N 215.636 2.019 0 40 BEAB O[C@@H]1CN[C@H](c2ccccc2C(F)(F)F)C1 69970980 MHSWZBHVZZQQLL-XVKPBYJWSA-N 231.217 2.101 0 40 BEAB FC(F)(F)C1=NO[C@H]2[C@H]1[C@H]1CC[C@@H]2C1 72207128 KAAUCJZOUPNSRN-BDVNFPICSA-N 205.179 2.350 0 40 BEAB CCOC(=O)c1cc(Cl)cc2nc[nH]c12 73633842 FWJSFADMOULQEA-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB C[C@H](c1ccccc1)n1cnc(C(=O)O)c1 82535206 IYDKQZOOBBIDAS-SECBINFHSA-N 216.240 2.191 0 40 BEAB CCc1ccc(C(=O)O[C@H](C)Cn2cccn2)o1 83796745 ADGPKMLBPIKPIM-SNVBAGLBSA-N 248.282 2.284 0 40 BEAB O[C@@H]1C[C@@H](C(F)(F)F)Cc2occc21 85399121 FTZPTZPDPBNTEC-IYSWYEEDSA-N 206.163 2.438 0 40 BEAB COc1ccccc1C[C@H](C)Nc1ccnn1C 97037935 PLROFRANBQNGOG-NSHDSACASA-N 245.326 2.472 0 40 BEAB COc1cc(CN)ccc1C(F)(F)F 98073387 VKCVOXQSFQAUBE-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB Cc1ccc(-n2nc3c(c2O)CCC3)cc1 100070181 AVLHKTUEXLZZLX-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB Cc1ccc(CN(C)[C@@H]2C[C@@H](C)OC2=O)c(C)c1 107569457 LCGBZLIALHHGHC-TZMCWYRMSA-N 247.338 2.439 0 40 BEAB CCOC(=O)C1(C2=NC(C)(C)C[C@H](C)O2)CC1 196311936 SIERTOJMFJCEMB-VIFPVBQESA-N 239.315 2.316 0 40 BEAB O=C(NCC[C@@H](CCO)c1ccccc1)C1CC1 206624098 UMTOKQOSJWJEQF-ZDUSSCGKSA-N 247.338 2.069 0 40 BEAB CCO[C@H](Cc1cc(C)cc(C)c1)C(=O)O 225038165 OAOORGFSXCCSKR-GFCCVEGCSA-N 222.284 2.336 0 40 BEAB CCNC(=S)Nc1cc(Cl)ccn1 226792564 XUFOUZGTCZYWTJ-UHFFFAOYSA-N 215.709 2.041 0 40 BEAB CCN1CCC[C@@H](Cc2cnc(NC)cn2)CC1 257262526 LLTJCGYLUDPULC-GFCCVEGCSA-N 248.374 2.183 0 40 BEAB CN(Cc1ccnn1C)c1ncccc1Cl 359894309 CQOWBFPSSXONTI-UHFFFAOYSA-N 236.706 2.105 0 40 BEAB CC(C)CC(=O)N1CC[C@H](OCC2CC2)C1 575414420 JPQKJDRAZKVUNP-LBPRGKRZSA-N 225.332 2.060 0 40 BEAB Cc1nnc(OC2Cc3ccccc3C2)s1 585652786 WOTNCYPJMQOJNK-UHFFFAOYSA-N 232.308 2.393 0 40 BEAB O=c1ccn(C(F)(F)F)cc1Br 1565504839 PUWLHDWHUKXQNC-UHFFFAOYSA-N 241.994 2.087 0 40 BEAB CO[C@@H](CNc1ncc(F)cn1)c1ccco1 1775970157 DSDHEYDGGUXYPJ-JTQLQIEISA-N 237.234 2.008 0 40 BEAB O=C(Nc1ccccc1)[C@H]1CCCC[C@H]1CO 1597579 HTYFPCXDHPXDJO-AAEUAGOBSA-N 233.311 2.424 0 40 BEAB Cc1cc(C(=O)O)c(C)n1CC(F)(F)F 4219039 ZYOPSRRCTHKRMZ-UHFFFAOYSA-N 221.178 2.365 0 40 BEAB in-vitro CC1(C)O[C@H]2Cc3ccccc3C[C@H]2O1 12341506 BVOIEXZNCZPVRO-TXEJJXNPSA-N 204.269 2.305 0 40 BEAB O=C(Cc1cccc(F)c1)NCc1ccccn1 12545175 QLTATASQQIGFBS-UHFFFAOYSA-N 244.269 2.080 0 40 BEAB CCOC(=O)Nc1nc2ccc(N)cc2s1 19401638 BYHHBCFFWHVHDZ-UHFFFAOYSA-N 237.284 2.447 0 40 BEAB in-vitro O=C(Nc1ccccc1)c1cncs1 22073156 KSWSCDXHZZVNAS-UHFFFAOYSA-N 204.254 2.395 0 40 BEAB Cc1nnc(S)c2c1cnn2-c1ccccc1 26421784 PVWLQHDYHGBMFL-UHFFFAOYSA-N 242.307 2.413 0 40 BEAB FC(F)(F)c1c[nH]c(-c2ccccn2)n1 31176468 ACCRSQMCIQOKCB-UHFFFAOYSA-N 213.162 2.491 0 40 BEAB CC(=O)N(C)Cc1ccc(Cl)s1 32678726 QCWSPXPKUMWVSP-UHFFFAOYSA-N 203.694 2.380 0 40 BEAB CC(C)C[C@H]1COC(c2ccccn2)=N1 34585978 MFEIEQDUFOSLGN-JTQLQIEISA-N 204.273 2.273 0 40 BEAB COc1c(Cl)cc(Cl)cc1CO 35662650 WCUHAVCRLBILAD-UHFFFAOYSA-N 207.056 2.494 0 40 BEAB O=C(O)c1noc2c1CCc1ccccc1-2 39286960 OSRPSNRZOFWYFX-UHFFFAOYSA-N 215.208 2.138 0 40 BEAB Cc1ccc(OCCN(C)C(=O)C2CC2)cc1 40468233 SUTXEYLJNSUSQN-UHFFFAOYSA-N 233.311 2.242 0 40 BEAB C[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 40505886 ZYVLRFFHDODNDS-NWDGAFQWSA-N 225.332 2.204 0 40 BEAB COc1ccc(NC(=O)c2scnc2C)cn1 40529036 CWHSPJLSZRULNC-UHFFFAOYSA-N 249.295 2.107 0 40 BEAB c1ccc2sc(-n3cccn3)nc2c1 45236853 LKYHHJYDUIIWKK-UHFFFAOYSA-N 201.254 2.482 0 40 BEAB Cc1ccccc1C(=O)N1C[C@@H](C)OC[C@H]1C 45523728 IIICNVPJOBTBDZ-VXGBXAGGSA-N 233.311 2.244 0 40 BEAB CCCNC(=O)N[C@H](C)c1ccccc1OC 46704900 MVCAECNEYYNDGT-SNVBAGLBSA-N 236.315 2.465 0 40 BEAB C[C@H](NC(=O)C1CCC1)c1cccnc1 48325889 XBUQULQPLCYUSL-VIFPVBQESA-N 204.273 2.059 0 40 BEAB Cc1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 48823146 LWOJADZPRVVEJI-UHFFFAOYSA-N 249.701 2.302 0 40 BEAB O=C(O)c1ccc(NCC[C@@H]2CCCO2)cc1 50913406 FZOVIQODSGRVAW-LBPRGKRZSA-N 235.283 2.366 0 40 BEAB in-vitro Cc1n[nH]cc1NC(=O)NCc1ccc(F)cc1 58006996 NUGCMFHDYKLDRR-UHFFFAOYSA-N 248.261 2.179 0 40 BEAB O=C(NCc1ccncc1)NC[C@@H]1CC=CCC1 60128058 DYUFTRGDDGJSFK-GFCCVEGCSA-N 245.326 2.237 0 40 BEAB CSCC[n+]1c(N)sc2cc(C)ccc21 61968168 YTANYBXNHRZFPK-UHFFFAOYSA-O 239.389 2.442 0 40 BEAB Clc1cccc(Cl)c1CN[C@@H]1CCNC1 72203654 MEFBIHWGLZLLPZ-MRVPVSSYSA-N 245.153 2.445 0 40 BEAB Cc1nc(N2CCCC2)ccc1[C@@H](C)O 72224517 XVIHAYGZLGXENK-SNVBAGLBSA-N 206.289 2.044 0 40 BEAB CN(Cc1ccccc1)c1ccc(CCO)cn1 72225381 ZWIGTCUOVAZODH-UHFFFAOYSA-N 242.322 2.253 0 40 BEAB CC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 72369585 VDRUGXIVIJPDKM-LBPRGKRZSA-N 243.310 2.289 0 40 BEAB O=C(O)c1cncn1Cc1ccccc1Cl 73738911 HOTGTDNBIDFEIV-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CC(C)(C)OC(=O)N(C[C@H]1CCCN1)C1CC1 79437687 NHOZVDBUVVIVHY-SNVBAGLBSA-N 240.347 2.138 0 40 BEAB NCCc1cnc(Cc2ccccc2)s1 84398996 GYPKNJWJCZWIHE-UHFFFAOYSA-N 218.325 2.235 0 40 BEAB COC[C@H](NC1CCOCC1)c1ccccc1 89668680 UFZZQHUSVSINFP-AWEZNQCLSA-N 235.327 2.143 0 40 BEAB O=C(O)Cc1cc(F)cc(OC(F)(F)F)c1 91252020 LEUVGYUDBIAFFK-UHFFFAOYSA-N 238.136 2.351 0 40 BEAB in-vitro CCOC(=O)C(=O)Sc1cccc(F)c1 95731173 LRORYYCRSQFUHO-UHFFFAOYSA-N 228.244 2.008 0 40 BEAB CC(C)Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1 95955705 WDOXFEXFAKFIOO-JTQLQIEISA-N 249.310 2.088 0 40 BEAB Cc1cc(NC(=O)CC[C@H]2CCCO2)sn1 96449157 VGMLQBOCSUBXCC-SECBINFHSA-N 240.328 2.349 0 40 BEAB OCCn1nccc1-c1ccccc1Cl 96527612 HQMYEWKFEWYULH-UHFFFAOYSA-N 222.675 2.196 0 40 BEAB CC(C)Cn1cc(N[C@@H]2CCO[C@@H]2C)cn1 97038673 QXNFVPZDQOOKFI-ZYHUDNBSSA-N 223.320 2.128 0 40 BEAB CC12C[C@@H]3C[C@@H](C1)CC(N1CCNCC1)(C3)C2 100099945 PAIHNONTZHVMQI-HESLUPGFSA-N 234.387 2.251 0 40 BEAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3C)cc1 104227536 NJNIMTINFXBEKA-CHWSQXEVSA-N 247.338 2.139 0 40 BEAB Cc1ccccc1[C@H]1OC(=N)C(O)=C1O 104240155 CWYBHTFNSZAJCC-SNVBAGLBSA-N 205.213 2.371 0 40 BEAB COc1ccccc1[C@H](NN)c1ccccc1 161808529 XZNMIXNFZCHNOU-CQSZACIVSA-N 228.295 2.248 0 40 BEAB Cc1cc(F)ccc1N[C@@H]1CCC[C@H]1N 218881949 HLUPJSZLMCWPKH-ZYHUDNBSSA-N 208.280 2.426 0 40 BEAB CCCCCNCc1cnn(CCF)c1 256052550 NUBSDEWWMVSEGM-UHFFFAOYSA-N 213.300 2.132 0 40 BEAB Nc1cc(-c2cc(F)c(F)c(F)c2F)[nH]n1 259446310 PKZSOAQFGUSAMO-UHFFFAOYSA-N 231.152 2.215 0 40 BEAB CCn1cc(Cl)c(COCC(F)F)n1 408716942 SYEDHXFVHKKGTN-UHFFFAOYSA-N 224.638 2.338 0 40 BEAB N=c1nc(Cl)c(C(F)F)c(Cl)[nH]1 575629507 ZBMPMWQLKWRPLK-UHFFFAOYSA-N 214.002 2.134 0 40 BEAB CC[C@@H](C)N1CC(Cn2cc(Cl)cn2)C1 1848873576 YZRCEWBTJADOGY-SECBINFHSA-N 227.739 2.267 0 40 BEAB CCN(CC)C(=O)[C@@H](C)Oc1ccccc1 30610 NILANMAUVXEMNA-LLVKDONJSA-N 221.300 2.322 0 40 BEAB CC(=O)O[C@@H](Cn1cccn1)c1ccccc1 105192 FZBBPYRIYMDYDM-ZDUSSCGKSA-N 230.267 2.188 0 40 BEAB CC(=O)O[C@@H]1CN2CC[C@@H]1[C@H](c1ccccc1)C2 4122121 HZJHUAKXMXQRMD-QLFBSQMISA-N 245.322 2.037 0 40 BEAB CCCCOc1ccc(NS(C)(=O)=O)cc1 5729263 MZOBPNUOFUAFCM-UHFFFAOYSA-N 243.328 2.237 0 40 BEAB O=C1CCc2ccc(C3CCNCC3)cc2N1 12649662 HVPMYWNYRDNIHW-UHFFFAOYSA-N 230.311 2.038 0 40 BEAB CCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 12915946 LRPSBFOHMFROHM-UHFFFAOYSA-N 248.326 2.421 0 40 BEAB O=C(C1=Cc2ccccc2OC1)N1CCCC1 12926242 ZYROWGWBGJRHGL-UHFFFAOYSA-N 229.279 2.085 0 40 BEAB CC(=O)c1ccc(N2CCO[C@H](C)C2)cc1 19871017 MILOLCCSOYVTEC-SNVBAGLBSA-N 219.284 2.114 0 40 BEAB Oc1ccc(CNc2cccnc2)cc1 19884108 CPYJOLZWAGQIGX-UHFFFAOYSA-N 200.241 2.399 0 40 BEAB Cc1cc(C)cc(OCCNC2CC2)c1 20361134 HFXFKHMVPURORK-UHFFFAOYSA-N 205.301 2.434 0 40 BEAB O=C(Nc1ccncc1)c1ccc2c(c1)CCO2 32726857 BJGCXVQTBCOKGX-UHFFFAOYSA-N 240.262 2.269 0 40 BEAB Cc1ccc(CCC(=O)N2CCOCC2)c(C)c1 32863626 ZCTRIZOHDCNDRR-UHFFFAOYSA-N 247.338 2.095 0 40 BEAB CCOC(=O)CCCc1ccc(O)cc1 34484938 URBBRTFGJCAELL-UHFFFAOYSA-N 208.257 2.278 0 40 BEAB OC1CCC(Nc2cnc3ccccc3n2)CC1 36396944 FNUYYAKDNOIWDE-UHFFFAOYSA-N 243.310 2.345 0 40 BEAB CN1CCC(O)(Cc2ccccc2Cl)CC1 37716964 IUIZTDATUXVLCJ-UHFFFAOYSA-N 239.746 2.339 0 40 BEAB in-vitro O=C(Nc1ccccn1)c1cc(C2CC2)on1 40047677 OJWOERXUMSHFIE-UHFFFAOYSA-N 229.239 2.199 0 40 BEAB O=C(c1cccnc1)N(Cc1ccco1)C1CC1 40060344 SSNUDQSBGRYGSY-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB O=C(c1cnccn1)N1CCC[C@H]2CCCC[C@@H]21 40473440 IDIZFMNUEFVPKB-YPMHNXCESA-N 245.326 2.271 0 40 BEAB CCONC(=O)CSCc1cccs1 40476688 UZNATWHQMXCZCT-UHFFFAOYSA-N 231.342 2.049 0 40 BEAB Cc1c(C(=O)N(C)Cc2ccccc2)cnn1C 41970598 LGEUZQMJCFAAIX-UHFFFAOYSA-N 243.310 2.001 0 40 BEAB CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)O)C1 43589627 HSAYWJCRLAYJKW-NSHDSACASA-N 239.315 2.056 0 40 BEAB CN(C)CCCNC(=O)C(C)(C)c1ccccc1 65474679 DQQGMPATWFYNAQ-UHFFFAOYSA-N 248.370 2.032 0 40 BEAB O=C(O)c1cc(Cl)cnc1C(F)(F)F 66319064 SWAUZBSMIIDEMA-UHFFFAOYSA-N 225.553 2.452 0 40 BEAB CCc1nccn1-c1cccc(C(=O)O)c1 68983594 RPHSVNVIRGULHX-UHFFFAOYSA-N 216.240 2.133 0 40 BEAB COc1nc(C)c(C(C)=O)cc1Br 71788995 ISOWAXNWRAJQDT-UHFFFAOYSA-N 244.088 2.364 0 40 BEAB CCc1ccc(CCN2CCC(O)CC2)cc1 71908998 NYWUOBCJDNHBAK-UHFFFAOYSA-N 233.355 2.248 0 40 BEAB CC(C)CNc1ncccc1[C@@H]1CCCN1C=O 72213241 STTVTRMBOVPTGR-ZDUSSCGKSA-N 247.342 2.443 0 40 BEAB COc1ccc([C@H]2CCCCN2)c(C)n1 72218089 MUOYZWHKQHKTCB-LLVKDONJSA-N 206.289 2.213 0 40 BEAB O=C(O)c1cc(=O)oc2ccc(Cl)cc12 72220914 WDIITIPJDMEKIU-UHFFFAOYSA-N 224.599 2.145 0 40 BEAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NC1CC1 72302925 LAARUEAVPOZANF-ZJUUUORDSA-N 210.321 2.225 0 40 BEAB CC[C@@H](C(=O)Nc1ccc(C)cc1)N(C)C 84718757 VTABIFONLRRSGK-LBPRGKRZSA-N 220.316 2.274 0 40 BEAB c1cc2c(cc1CNC1=NCCCC1)OCO2 93328293 SBHWUTRROVMVGJ-UHFFFAOYSA-N 232.283 2.087 0 40 BEAB OC[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 95422907 BIVFJSRXWWVNII-ZBFHGGJFSA-N 245.366 2.295 0 40 BEAB CC1(C)CCC[C@H]1NCCCO[C@@H]1CCOC1 95423739 SDZXPSCUEVAPNU-CHWSQXEVSA-N 241.375 2.350 0 40 BEAB Cc1c(Cl)cnn1Cc1nnc(C2CC2)o1 95435656 YRVIAZJMIYGBEL-UHFFFAOYSA-N 238.678 2.154 0 40 BEAB COCCN[C@@H](C)c1cccc(F)c1F 96492432 SORJUCVOYIIJBF-QMMMGPOBSA-N 215.243 2.262 0 40 BEAB CCc1nc([C@H](C)NC[C@H](O)CC)cs1 97112239 OBCKJMMLJYYWEI-DTWKUNHWSA-N 228.361 2.127 0 40 BEAB CC[C@@]1(C)Cc2ccccc2/C(=C\C(=O)NC)N1 100748693 CFXIRKHVEORDTD-GLNPCMGASA-N 244.338 2.088 0 40 BEAB biogenic CO[C@@H]1C[C@@H]2c3ccccc3[C@@H]1C(C)=[N+]2C 104137624 IUNKJZBVWKZYJV-MCIONIFRSA-N 216.304 2.347 0 40 BEAB NC(=O)c1ccc2nc(Cl)sc2c1 117902483 IGDWPNCKFZBVEC-UHFFFAOYSA-N 212.661 2.049 0 40 BEAB CCOC(=O)[C@@]1(C)CCN(c2cccc(C)n2)C1 195566901 KTXMIGROWBZTDD-AWEZNQCLSA-N 248.326 2.170 0 40 BEAB C[Si](C)(C)c1ccc(F)c(C(=O)O)c1 196554921 NRWXANVMWBKTOJ-UHFFFAOYSA-N 212.296 2.069 0 40 BEAB CC[C@@H]1C(=O)CCCN1C(=O)OC(C)(C)C 211452495 FIALHFQFLJBDQS-SECBINFHSA-N 227.304 2.365 0 40 BEAB COC(=O)CC(C)(C)CC(C)(C)C(=O)O 256050273 DKRSIFUFQKGXGA-UHFFFAOYSA-N 216.277 2.077 0 40 BEAB CCn1cc(NCc2cnn(CC(C)C)c2)cn1 256053747 SQWNSRGNOMNVJE-UHFFFAOYSA-N 247.346 2.368 0 40 BEAB CC1=NN(c2ccc(C)cn2)C(=O)[C@H]1C1CC1 634598764 RPKZLQUJDIQUSM-GFCCVEGCSA-N 229.283 2.139 0 40 BEAB O=C1C=C(C(F)(F)F)Nc2ccccc2N1 53546 IXXBAICHLCPVDN-UHFFFAOYSA-N 228.173 2.497 0 40 BEAB C1=CC[C@@H]([C@H]2OC[C@H](CN3CCCC3)O2)CC1 520144 DOIMBTOKESEEMG-RDBSUJKOSA-N 237.343 2.180 0 40 BEAB CCCCCC(=O)OCCCCCO 1599421 UVBKEPBGQCFNDY-UHFFFAOYSA-N 202.294 2.273 0 40 BEAB CC[C@]1(c2ccccc2)S[C@H](C)C(=O)NC1=O 1752240 JYTPRLZRIWGPBD-NOZJJQNGSA-N 249.335 2.070 0 40 BEAB Cc1ccc(Cl)cc1NC(N)=S 2169701 VCAAMKSMNMYWFY-UHFFFAOYSA-N 200.694 2.304 0 40 BEAB in-vitro CCOP(=O)(NCC(C)C)OCC 2369435 HETNCHHTSONQSI-UHFFFAOYSA-N 209.226 2.413 0 40 BEAB CCSc1nnc(NC(=O)[C@H]2C[C@@H]2C)s1 2648646 BLVUYYRLEVJVSH-WDSKDSINSA-N 243.357 2.245 0 40 BEAB CC1=C(C(=O)O)[C@@H](C)CC(=O)N1c1ccccc1 4962819 JQNYCPAHVLZHBR-VIFPVBQESA-N 245.278 2.418 0 40 BEAB Cc1c/c(=N\CCCN(C)C)c2ccccc2[nH]1 5811687 IHWATXZNSWLUKO-UHFFFAOYSA-N 243.354 2.329 0 40 BEAB CCNCc1cc(Cl)c(OC)c(OC)c1 8227158 DDLLCBSOSRBKOT-UHFFFAOYSA-N 229.707 2.467 0 40 BEAB C[C@@H](NC(=O)c1ccccc1F)C1CC1 8329180 LJDQWKMBLDEPFP-MRVPVSSYSA-N 207.248 2.354 0 40 BEAB CCOc1cccc(O[C@@H](CC)C(=O)O)c1 8729620 XZYUNGQYXXNGCX-NSHDSACASA-N 224.256 2.327 0 40 BEAB Cc1n[nH]c(Nc2ccc(C(C)C)cc2)nc1=O 8997660 GCAUTMXRFHIPEM-UHFFFAOYSA-N 244.298 2.340 0 40 BEAB O=C(O)CCN1CCC[C@@H]1c1cccs1 12398756 XGTRKBFHUFLGOA-SECBINFHSA-N 225.313 2.360 0 40 BEAB CC(=O)/N=c1\sccn1Cc1ccccc1 12417403 CEQJBLMZIODOCP-SEYXRHQNSA-N 232.308 2.045 0 40 BEAB Cc1nn(C)c(Cl)c1C(=O)NC1CCCC1 14267105 ILXGNPBAMJRNAA-UHFFFAOYSA-N 241.722 2.054 0 40 BEAB COc1ccc(OC[C@H]2CCCCN2)cc1 14632442 SVSNHJLZMKFEPB-LLVKDONJSA-N 221.300 2.216 0 40 BEAB Cc1nnc2cc(Br)ccc2n1 16363330 PBMTZEAGHKWLOE-UHFFFAOYSA-N 224.061 2.096 0 40 BEAB CN(C)[C@@H](C(=O)O)c1ccccc1Cl 16873055 LIXFURHZDYVNLV-SECBINFHSA-N 213.664 2.027 0 40 BEAB in-vitro C[C@H](NC1CC1)c1ccc2c(c1)OCO2 22150589 OIKYYMBMHBZDPH-QMMMGPOBSA-N 205.257 2.228 0 40 BEAB CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 25425828 XUJFXBUAGQUXFS-LLVKDONJSA-N 239.702 2.170 0 40 BEAB Cc1nnc(-c2ccc(N)cc2Cl)o1 32012322 XIYFZWDGGZJTMA-UHFFFAOYSA-N 209.636 2.281 0 40 BEAB CONC(=O)c1ccc2c3c(cccc13)CC2 32848466 PMJGSKAKFFIQGV-UHFFFAOYSA-N 227.263 2.230 0 40 BEAB FC(F)(F)Oc1ccc2cn[nH]c2c1 34131418 YXUMGPCNHDVHBV-UHFFFAOYSA-N 202.135 2.462 0 40 BEAB CCOc1ccc(OC)cc1CNC1CC1 34656160 QNRFMOGIKQKWMQ-UHFFFAOYSA-N 221.300 2.346 0 40 BEAB COCCNC(=O)Nc1ccc(Cl)cc1C 36179410 QPSPRHQYUMBJLO-UHFFFAOYSA-N 242.706 2.416 0 40 BEAB CCOCCN[C@H]1CCc2ccccc21 36229051 ZMGGTJQHNFMWHA-ZDUSSCGKSA-N 205.301 2.300 0 40 BEAB CC[C@H](C)n1c(CN)nc2ccccc21 40163805 QFWQUFYTCHABMK-VIFPVBQESA-N 203.289 2.466 0 40 BEAB CC(C)(C)OC(=O)[C@@H](N)Cc1cccc(F)c1 54967581 FNGZHCKWHLJNHR-NSHDSACASA-N 239.290 2.037 0 40 BEAB CC(=O)OCC(=O)c1c(C)cc(C)cc1C 61574630 AUPGNEGADOYYKJ-UHFFFAOYSA-N 220.268 2.358 0 40 BEAB Cc1ccccc1-c1noc([C@@H]2CCNC2)n1 62119578 IOFYPOWALXFISG-SNVBAGLBSA-N 229.283 2.122 0 40 BEAB CCc1c(C(=O)O)cnn1-c1ccccc1OC 62605787 DTIIJNVJTRIOPM-UHFFFAOYSA-N 246.266 2.142 0 40 BEAB in-vitro CCc1cccc2c(OCC(=O)O)ccnc12 64874816 CLZNXWRSPLXXMD-UHFFFAOYSA-N 231.251 2.261 0 40 BEAB Cc1cc(N)ccc1N(C)CC1CCOCC1 66341717 MUIWQHOJPAXUNM-UHFFFAOYSA-N 234.343 2.440 0 40 BEAB NCc1ccc(C(=O)Nc2ccccc2O)cc1 70216736 LCMLZAVDJXTKGP-UHFFFAOYSA-N 242.278 2.103 0 40 BEAB CC[C@@H]1CC[C@H](N[C@@H]2CCCN(C)C2)C1 70643547 WCXWZSOZNVKZAE-FRRDWIJNSA-N 210.365 2.249 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1F 71899794 NPSFRUGKWZCSFS-KWQFWETISA-N 239.265 2.280 0 40 BEAB CC[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208741 BVFMHTQWUQVZBV-MNOVXSKESA-N 243.347 2.404 0 40 BEAB O=C(C1CC=CC1)N1CCO[C@@H]2CCCC[C@H]21 77737537 GXSJENUXPIHDHD-CHWSQXEVSA-N 235.327 2.123 0 40 BEAB CCN[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79437048 CUGSDCDTNAJKSD-QWRGUYRKSA-N 242.363 2.432 0 40 BEAB CCNC(=O)c1ccc2cc(F)ccc2n1 82263087 ZDHGNRRKFSZPBO-UHFFFAOYSA-N 218.231 2.124 0 40 BEAB COC(=O)CCCN(C)Cc1ccc(C)s1 89656561 JJULXPXHOFCHRZ-UHFFFAOYSA-N 241.356 2.442 0 40 BEAB CCOC(=O)c1cnn(C(C)C)c1Cl 95096612 ZRSFJCRWNPNSIG-UHFFFAOYSA-N 216.668 2.294 0 40 BEAB CCCCCNC(=O)NC[C@H]1CCO[C@@H](C)C1 95457443 LTQQKJNFFYXPSP-RYUDHWBXSA-N 242.363 2.291 0 40 BEAB CC(C)NC[C@@H](CCO)c1ccccc1 95987939 IESHWPBWMKABRE-CYBMUJFWSA-N 207.317 2.151 0 40 BEAB COC(=O)CNC1(c2ccccc2)CCCC1 96491820 LTBXJVRVPPTFAN-UHFFFAOYSA-N 233.311 2.219 0 40 BEAB OCCCNC1(c2cccc(Cl)c2)CC1 97033521 ZWCIHSVLBAYTGW-UHFFFAOYSA-N 225.719 2.301 0 40 BEAB CCc1cnccc1C(=O)OC[C@@H]1CC[C@H](C)O1 97113100 PKZUPZILJHEZQJ-JQWIXIFHSA-N 249.310 2.368 0 40 BEAB Cc1ccc2c(c1)NCC21CCOCC1 107253076 SJAQIAYALOQHMP-UHFFFAOYSA-N 203.285 2.469 0 40 BEAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](N)C1 148753964 WFNGGMDLHFWFRK-NXEZZACHSA-N 228.336 2.029 0 40 BEAB COc1ccc(CN[C@H]2CCCC[C@@H]2N)cc1 218855253 KQAPSBRQIROFNT-KBPBESRZSA-N 234.343 2.055 0 40 BEAB CNCCCNc1ccnc2c(OC)cccc12 222681059 CPDWRICEPBOBDA-UHFFFAOYSA-N 245.326 2.265 0 40 BEAB CCc1ccccc1C[C@@H](C(=O)O)N1CCCC1 225142508 PAIJIQAKZCTCSW-AWEZNQCLSA-N 247.338 2.341 0 40 BEAB COCCCn1cccc1CN1CCCC1 225309157 HLOIGWNOFXAXCO-UHFFFAOYSA-N 222.332 2.120 0 40 BEAB CC1(C)CC(=O)[C@@H]2C(C(C)(C)C)=NN[C@@H]2C1 228930875 BXRDAEJKVFXXOJ-PSASIEDQSA-N 222.332 2.366 0 40 BEAB CC(C)(C)OCCOCC(F)(F)F 388661031 VIJSYZBRCGYSGI-UHFFFAOYSA-N 200.200 2.380 0 40 BEAB CN(C)[C@@H]1CCC[C@@H]1Oc1nccs1 585650814 FXGMMGSTAFGBDG-BDAKNGLRSA-N 212.318 2.005 0 40 BEAB CC[C@@H](Sc1nc2ccccc2o1)C(N)=O 175296 XNKYTIRNYODOHO-SECBINFHSA-N 236.296 2.184 0 40 BEAB CC(C)C(=O)Nc1nnc(-c2ccco2)s1 184262 PJGALMJKAJXGOO-UHFFFAOYSA-N 237.284 2.393 0 40 BEAB COC(=O)CCC(=O)N(CC(C)C)CC(C)C 1687955 VQUQCPMYNZHKNX-UHFFFAOYSA-N 243.347 2.080 0 40 BEAB CCC(=O)C[C@@H]1CCC[C@H](CC(=O)CC)N1 1713139 ICQDSEWZOQKQSL-PHIMTYICSA-N 225.332 2.236 0 40 BEAB biogenic O[C@]1(c2ccccc2)COc2ccccc2O1 2145822 OLIYXRBEDCJVLH-CQSZACIVSA-N 228.247 2.303 0 40 BEAB biogenic CC[C@H](C)[C@H](NC)C(=O)OCc1ccccc1 2382566 ATJJWXDHFSKJKM-AAEUAGOBSA-N 235.327 2.364 0 40 BEAB CC(C)(O)[C@H]1CCN(Cc2ccccc2)C1 4203902 BESBVPBWOJMGFI-ZDUSSCGKSA-N 219.328 2.279 0 40 BEAB O=C(NC1CC1)C12CC3CC(CC(C3)C1)C2 4704584 UBCVRGSRJOQNPT-UHFFFAOYSA-N 219.328 2.481 0 40 BEAB CC[C@@H](C(=O)O)n1cnc2ccccc21 4992682 ZEWUJLZQFQTWHE-VIFPVBQESA-N 204.229 2.072 0 40 BEAB CCNCc1cccc(OC)c1OCC 8227306 MOFFOTNPFKFGDC-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB O=C(C1CCCCC1)N1CCCC[C@@H]1CCO 11639139 HMPPGLMLUIZMRM-CYBMUJFWSA-N 239.359 2.330 0 40 BEAB c1cc2nc(C3CC3)[nH]c2c2nsnc12 17948583 HPVRNIFVVWTXTQ-UHFFFAOYSA-N 216.269 2.445 0 40 BEAB COc1ccc(NC[C@H]2CCCO2)cc1 20056103 ALYGFNLITSNLDN-GFCCVEGCSA-N 207.273 2.286 0 40 BEAB O=C(O)c1ccccc1OC[C@@H]1CCCCO1 20080560 SHEUEBYUHDTOKH-JTQLQIEISA-N 236.267 2.333 0 40 BEAB Cc1noc([C@@H](C)Nc2ccc3c(c2)CCO3)n1 26995354 OCRPAESCQXXXJX-MRVPVSSYSA-N 245.282 2.486 0 40 BEAB CCOc1ccc(C(=O)c2cnccn2)cc1 32004927 JWAPKZNTAYCTSM-UHFFFAOYSA-N 228.251 2.106 0 40 BEAB CNC(=O)c1ccc(OCC(=O)C(C)(C)C)cc1 32784257 QHGLZDQFXIVAEP-UHFFFAOYSA-N 249.310 2.040 0 40 BEAB CONC(=O)COc1ccc(C(C)C)c(C)c1 32848421 BYTFNQOIEJNRBQ-UHFFFAOYSA-N 237.299 2.175 0 40 BEAB Cc1ccc(Nc2ccc(C(N)=O)cc2N)cc1 35059424 PEGKMRQDQSXUHA-UHFFFAOYSA-N 241.294 2.420 0 40 BEAB CN(C)c1cc(Br)ccc1CO 36379872 WAPHXKHAIVOZND-UHFFFAOYSA-N 230.105 2.007 0 40 BEAB in-vitro O=C(O)C[C@H](c1ccccc1)C1CCNCC1 41260998 WFHMTBADZMIELZ-CYBMUJFWSA-N 233.311 2.245 0 40 BEAB O=C(O)Cc1cccc(OCC(F)(F)F)c1 42417272 NCJHCUKPPQDYCF-UHFFFAOYSA-N 234.173 2.255 0 40 BEAB in-vitro Cc1ccc(F)c(N2CCC[C@@H](N)C2)c1 43470504 KWRYAKLAVSLUNX-SNVBAGLBSA-N 208.280 2.062 0 40 BEAB in-vitro CC(C)C[C@H](C)N(C)C(=O)C1CCOCC1 58316483 HPPCQMACITTYBX-NSHDSACASA-N 227.348 2.306 0 40 BEAB CC(=O)Nc1ccc(-c2ccc(S)cc2)nn1 61966094 JQCLNQNTWNTXNS-UHFFFAOYSA-N 245.307 2.391 0 40 BEAB O=C(/C=C/c1ccco1)Nc1ccc(F)cn1 69664355 YUUIAMZVLZIOIN-GQCTYLIASA-N 232.214 2.466 0 40 BEAB Cc1cc(NC(=O)N2CCCC2(C)C)no1 72242450 UAAGZQKVCUFDGO-UHFFFAOYSA-N 223.276 2.389 0 40 BEAB CCCCC(=O)NCC1(O)CCCCCC1 72288715 CVRIJBKASAALNC-UHFFFAOYSA-N 227.348 2.378 0 40 BEAB Cc1noc(C)c1C(=O)NC(=N)c1ccccc1 75136613 RRIVVJZVKHVMIN-UHFFFAOYSA-N 243.266 2.047 0 40 BEAB CCN(CC(=O)O)c1cccc(C)c1C 76583982 SSJIGDCVGOSNEW-UHFFFAOYSA-N 207.273 2.214 0 40 BEAB COCCN(C)[C@@H]1CCCN(c2ccccc2)C1 81014745 IUFOBOFPMMFBMU-OAHLLOKOSA-N 248.370 2.234 0 40 BEAB CCn1c([C@H](N)C(C)C)nc2cccnc21 82583490 FJQUKYJWRRCPLH-SNVBAGLBSA-N 218.304 2.107 0 40 BEAB CCC[C@H](C)CC(=O)N[C@H](C)[C@@H]1CCCO1 84740126 KOEZMIJNCLOAJQ-TUAOUCFPSA-N 227.348 2.496 0 40 BEAB c1cc(SCC2CCNCC2)ccn1 87110540 NPAWEBAXRJNAII-UHFFFAOYSA-N 208.330 2.173 0 40 BEAB O=C1C[C@H](COCc2ccccc2)[C@@H]1F 88241608 GDIUNGXHYQVOQB-PWSUYJOCSA-N 208.232 2.130 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 89536778 UDWXGBZWWAUWHC-CHWSQXEVSA-N 248.326 2.107 0 40 BEAB C[C@H](O)CN[C@H](C)Cc1ccc(Cl)cc1 91261345 WTMYRZFEAKUNDJ-ZJUUUORDSA-N 227.735 2.241 0 40 BEAB Cc1cc(Cl)ccc1NCc1cnnn1C 95447437 LCKGNYLXVSZFGB-UHFFFAOYSA-N 236.706 2.389 0 40 BEAB C[C@H](Nc1cnccn1)[C@@H](O)c1ccc(F)cc1 97104618 FVCZAOIXBOXWPY-TVQRCGJNSA-N 247.273 2.150 0 40 BEAB C[C@H]1[C@H]2C[C@@H]([C@H](CN(C)C)C2=O)C1(C)C 100740134 IORDCIHONMRMKU-VLEAKVRGSA-N 209.333 2.045 0 40 BEAB Cn1cnc(-c2cccc(Cl)c2)c1N 100761165 FEFLPQMHMSTSLE-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB Cc1ccc(NC(=O)C2CCC2)cc1C(=O)O 104329140 OPCBOWAZJXKJPJ-UHFFFAOYSA-N 233.267 2.432 0 40 BEAB CC[C@@](C)(C(=O)O)c1ccc(OC)cc1 107205578 BZPDYADLDKBPDE-GFCCVEGCSA-N 208.257 2.448 0 40 BEAB CCOC(=O)/C=C/C1CCC2(CC1)OCCO2 147856096 LBCIUUCNJXGWHX-ONEGZZNKSA-N 240.299 2.039 0 40 BEAB NC[C@@H](F)c1ccc(Br)cc1 211948136 BANSITREVGYIDM-MRVPVSSYSA-N 218.069 2.418 0 40 BEAB CCOC(=O)c1cc(OC)c2cc[nH]c2c1 218898144 GHKNEJUTFCMKQF-UHFFFAOYSA-N 219.240 2.353 0 40 BEAB CC1(C)CC(=O)[C@@H]2C(C(C)(C)C)=NN[C@H]2C1 228930893 BXRDAEJKVFXXOJ-WCBMZHEXSA-N 222.332 2.366 0 40 BEAB FC(F)(F)c1cccc(N2C[C@H]3C[C@H]2CO3)n1 370351566 QCODKCGVAUERLA-JGVFFNPUSA-N 244.216 2.078 0 40 BEAB CC(=O)c1nc2cc(C)ccc2nc1C 604941580 KUZYWFVQKCSDLA-UHFFFAOYSA-N 200.241 2.449 0 40 BEAB CC(C)(C)OC(=O)N1CC2(C1)[C@H](O)CC2(C)C 710681236 WFUCZHRGEDILTJ-SECBINFHSA-N 241.331 2.014 0 40 BEAB CC(C)(C)NC(=O)N1CCC[C@@H](CF)C1 711502224 LLVFREFRTCDSMT-VIFPVBQESA-N 216.300 2.176 0 40 BEAB FC(F)(Br)c1nnc2ccccn12 1848350275 KTBNRBXCGHGTGK-UHFFFAOYSA-N 248.030 2.174 0 40 BEAB COC(=O)CC(=O)CCCc1ccccc1 1857794246 KOYVJIRUTIMXHV-UHFFFAOYSA-N 220.268 2.142 0 40 BEAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3)nn1 1888834584 QCXNJCXJSLWLEL-ZACCUICWSA-N 234.347 2.031 0 40 BEAB Cc1ncn(-c2ccc(F)cc2Cl)n1 2362803538 JFCPNZQHYVQQOL-UHFFFAOYSA-N 211.627 2.368 0 40 BEAB O=C(c1ccccc1O)c1ccc(O)cc1O 136125 FLYXGBNUYGAFAC-UHFFFAOYSA-N 230.219 2.034 0 40 BEAB O=C(O)c1ccccc1NCc1ccncc1 258911 UPPNJZSFIIFBPQ-UHFFFAOYSA-N 228.251 2.392 0 40 BEAB COC(=O)c1cc(-c2ccccc2C)no1 266324 WQHONNZEEONLAX-UHFFFAOYSA-N 217.224 2.437 0 40 BEAB C[C@@]12CCCC[C@]13NC(=O)CN3c1ccccc12 517667 BNTKETXJVKCBBV-LSDHHAIUSA-N 242.322 2.164 0 40 BEAB biogenic Cc1cccc(Nc2[nH]cnc3nncc2-3)c1 2476507 VNNZXPHIUPTTOQ-UHFFFAOYSA-N 225.255 2.357 0 40 BEAB CCOC(=O)CCCCCCCCO 2562372 MNWRYCGYJOYZEI-UHFFFAOYSA-N 202.294 2.273 0 40 BEAB biogenic,in-vitro NC[C@@H](Cc1c(Cl)cccc1Cl)C(=O)O 2586101 UZNQIOVTVNYAHN-ZCFIWIBFSA-N 248.109 2.195 0 40 BEAB N=C1N=C2C=CC=CN2Cc2ccccc21 3885442 ZPDCPCGOMKZJCQ-UHFFFAOYSA-N 209.252 2.310 0 40 BEAB Nc1ccc([C@@H](CC(=O)O)n2cccc2)cc1 4052853 WENHWQURZXLMAE-GFCCVEGCSA-N 230.267 2.134 0 40 BEAB C[C@@]1(C2CC2)NC(=S)N(c2ccccc2)N1 4311521 TWPXNKVKSHHEAD-GFCCVEGCSA-N 233.340 2.012 0 40 BEAB Fc1ccc(Nc2ncnc3[nH]ncc23)c(F)c1 11856422 ZQLBIQYFDNWVHG-UHFFFAOYSA-N 247.208 2.375 0 40 BEAB Nc1cc(F)ccc1OCC(F)(F)F 12505750 YEGURGWPKJYFKH-UHFFFAOYSA-N 209.142 2.349 0 40 BEAB in-vitro O=C(NCCc1ccco1)c1cccc(F)c1 13014520 KFWQIRUGPMCBFG-UHFFFAOYSA-N 233.242 2.391 0 40 BEAB C[C@@H](NC(=O)NC1CCCC1)c1ccccn1 13744644 HQJNDQAUBWFFSW-SNVBAGLBSA-N 233.315 2.384 0 40 BEAB C[C@@H](NN)c1cccc(C(F)(F)F)c1 19266557 MXSJLOZPVJQDOI-ZCFIWIBFSA-N 204.195 2.230 0 40 BEAB Fc1ccc(CCOC[C@H]2CCCNC2)cc1 19735448 YEKSLRBDUOFOKR-ZDUSSCGKSA-N 237.318 2.384 0 40 BEAB COc1ccc(OC)c([C@@H]2CCC(=O)O2)c1 19927055 XYCIKTXPBJTEKF-NSHDSACASA-N 222.240 2.082 0 40 BEAB CCOC(=O)CNc1ccc2c(c1)CCC2 20048732 IDCLWTLFGKJVQO-UHFFFAOYSA-N 219.284 2.150 0 40 BEAB CCCCS(=O)(=O)Nc1ccc(N)cc1C 20157090 QIZLOIFGSNBOHJ-UHFFFAOYSA-N 242.344 2.119 0 40 BEAB O=C(C1CC1)N1CC=C(c2ccc(O)cc2)CC1 32843064 FRMFGQVXEOHBOD-UHFFFAOYSA-N 243.306 2.418 0 40 BEAB CCOC(=O)c1ccnn1-c1ccccc1 33947591 RIDCTNJRFMAYQU-UHFFFAOYSA-N 216.240 2.049 0 40 BEAB COc1ccc([C@@H](O)c2ccccn2)cc1OC 34225483 FWZYZNLXCQEPRY-CQSZACIVSA-N 245.278 2.181 0 40 BEAB Oc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 34956240 YMKQTBBXJASVGX-JTQLQIEISA-N 232.239 2.294 0 40 BEAB in-vitro NC1(c2nc(C3CC3)no2)CCCCC1 41032803 HCZTWSFKJRGXEB-UHFFFAOYSA-N 207.277 2.065 0 40 BEAB CC(C)(C)OC(=O)N1CCC[C@@H](CCCN)C1 44280121 AJTYGHSVRUDXKS-LLVKDONJSA-N 242.363 2.372 0 40 BEAB O=C(O)Cc1ncc(C(F)(F)F)cc1Cl 44374578 ZCMWOZJSLGQSQV-UHFFFAOYSA-N 239.580 2.381 0 40 BEAB in-vitro Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)O 49354069 RGMGHSPKOOBDDI-ZJUUUORDSA-N 207.273 2.119 0 40 BEAB Cc1noc([C@H](C)NC(=O)Nc2ccccc2)n1 58439285 GKDSZUAHMZKJBB-QMMMGPOBSA-N 246.270 2.261 0 40 BEAB CCCC[C@H](CC(O)O)C(F)(F)F 64220325 OGSSTWWGBFIWED-ZCFIWIBFSA-N 200.200 2.056 0 40 BEAB CCC1=C(C(=O)O)Cc2ccccc2O1 71373558 HTXKPILAAQJECD-UHFFFAOYSA-N 204.225 2.370 0 40 BEAB in-vitro C/C=C/C(=O)OCC(F)(F)C(F)(F)F 72265768 CCXWPKBNZYFHKT-NSCUHMNNSA-N 218.121 2.303 0 40 BEAB Cc1cccc(CN2C[C@@H]3CCCN3C[C@H]2C)n1 72397540 SAMMNJWOFUJVTN-HIFRSBDPSA-N 245.370 2.059 0 40 BEAB Fc1ccc(Cc2nc([C@@H]3CCOC3)no2)cc1 75107961 YYKKLCAGTKEGBL-SNVBAGLBSA-N 248.257 2.303 0 40 BEAB O=C(O)c1cnc(CC2CCCCC2)nc1 82365311 AXDMCZXFMBCTLU-UHFFFAOYSA-N 220.272 2.298 0 40 BEAB COCCC1(C(=O)O)CCC(F)(F)CC1 83351187 WJVGRDPJPYREHI-UHFFFAOYSA-N 222.231 2.303 0 40 BEAB Brc1ncccc1O[C@H]1CCOC1 83454464 NEGUYDTYMGKHMB-ZETCQYMHSA-N 244.088 2.012 0 40 BEAB O=C(Nc1ccc(N2CCCC2)cn1)C1CCC1 84429007 APAUYWFBMWPXNB-UHFFFAOYSA-N 245.326 2.420 0 40 BEAB CCOC(=O)[C@@H](C)C(=O)c1ccc(F)cc1 85396808 NHNLSNLORBOIJC-QMMMGPOBSA-N 224.231 2.208 0 40 BEAB O=C(O)c1coc2c1C(=O)C[C@H](C(F)(F)F)C2 85399189 WFOORGFOUDPHFP-BYPYZUCNSA-N 248.156 2.285 0 40 BEAB c1ccc(CCSc2cn[nH]n2)cc1 97012132 VBWBLNPQHDWYMJ-UHFFFAOYSA-N 205.286 2.140 0 40 BEAB CCCn1cc(N[C@@H](C)c2nc(CC)no2)cn1 97377353 PIYHZESERMPNHM-VIFPVBQESA-N 249.318 2.412 0 40 BEAB c1ccc(Cc2noc([C@@H]3CCOC3)n2)cc1 98010022 GZLUEWYNFTVZHG-LLVKDONJSA-N 230.267 2.164 0 40 BEAB CCOC(=O)[C@H]1CCCO[C@@H]1C(C)C 98095756 WVYBVCQXRFKMOW-VHSXEESVSA-N 200.278 2.001 0 40 BEAB in-vitro Cl[C@@]12O[C@@]3(Cl)[C@@H]4[C@@H]5[C@@H]([C@@H]6C[C@H]5[C@@H]3[C@@H]61)[C@@H]42 103930067 OIMJINRBJIBPOJ-YTGCHPEBSA-N 229.106 2.275 0 40 BEAB Fc1cccc(CN2CCN(C3CCC3)CC2)c1 172198570 QFWLYPBIPJEIIF-UHFFFAOYSA-N 248.345 2.496 0 40 BEAB C[C@@H](CS[C@H]1CCNC1=O)c1ccccc1 183330509 OGOVVNNJGDIFGG-JQWIXIFHSA-N 235.352 2.412 0 40 BEAB c1ccc(CCN2CCN[C@H]3CCCC[C@H]32)cc1 218829150 WBKROPMTWHKBDJ-JKSUJKDBSA-N 244.382 2.446 0 40 BEAB O=C(OCC(Cl)(Cl)Cl)C(F)(F)F 230491549 BGZNVJXNPFAPCN-UHFFFAOYSA-N 245.411 2.462 0 40 BEAB C[C@H]1CC[C@@H](N[C@H](C)Cn2cncn2)C[C@@H]1C 252586974 UVRGJFLYRFVXHE-WUHRBBMRSA-N 236.363 2.081 0 40 BEAB CN(C)c1nc2c(F)cccc2cc1C=O 685937344 NRUDPERQYZXYQC-UHFFFAOYSA-N 218.231 2.252 0 40 BEAB CC(=O)N1CCC(Cc2ccccc2)CC1 30087 BKQOKWBHIBQLIH-UHFFFAOYSA-N 217.312 2.488 0 40 BEAB c1cc2c(cc1-c1cn3c(n1)CCC3)OCCO2 1516447 YMDLOUACGDIVIL-UHFFFAOYSA-N 242.278 2.268 0 40 BEAB COc1ccc(C(=O)c2ccccn2)cc1 1673541 ZYZQOYSKLICWGX-UHFFFAOYSA-N 213.236 2.321 0 40 BEAB in-vitro NC(=O)c1cc(F)c(F)cc1C(F)(F)F 2382150 NTEWBCFPFIDECK-UHFFFAOYSA-N 225.116 2.083 0 40 BEAB Cc1cnn(C(=O)[C@@]2(C)CC2(Cl)Cl)c1 2872669 BFZOISGRPLUCIP-MRVPVSSYSA-N 233.098 2.416 0 40 BEAB O=C(c1ccco1)N(Cc1ccccn1)C1CC1 6676488 BGSNPEAANBZDHY-UHFFFAOYSA-N 242.278 2.479 0 40 BEAB CCC[C@H](C)NC(=O)Cn1cnc2ccccc21 7779917 SZWORUGEHYIJSF-NSHDSACASA-N 245.326 2.341 0 40 BEAB Cc1csc(S[C@H](C)C(=O)NC(C)C)n1 7814647 KVBOEFRZKXHUET-MRVPVSSYSA-N 244.385 2.457 0 40 BEAB Cc1ccc(-n2[nH]c(C)c(C)c2=O)cc1 10157337 NDUCHUYVFWZTON-UHFFFAOYSA-N 202.257 2.091 0 40 BEAB O=C(c1cc2ccccc2[nH]1)N1CCCC1 12919870 WYJPNUJRKBJZKM-UHFFFAOYSA-N 214.268 2.404 0 40 BEAB O=Cc1cccc2[nH]c(C(F)(F)F)nc12 20443944 LBXMNHZOYOADPS-UHFFFAOYSA-N 214.146 2.394 0 40 BEAB in-vitro CC(C)(C)C(=O)Nc1ccc(-n2ccnc2)nc1 25011342 MTRDFXZOYQXVAQ-UHFFFAOYSA-N 244.298 2.252 0 40 BEAB C[C@@H](c1ccccc1)N1CCC[C@@H](O)C1 32751314 WSJYBUKJXSWDRV-WCQYABFASA-N 205.301 2.204 0 40 BEAB CCOC(=O)c1ncc(-c2ccccc2)[nH]1 34404918 DNBIUWPIJOWUEU-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB CCOC(=O)CCN1[C@@H](C)CCC[C@H]1C 36671335 AHWZPSGTCFEGAT-PHIMTYICSA-N 213.321 2.203 0 40 BEAB CCOC(=O)[C@@H]1Cn2c(cc3ccccc32)C1=O 39249900 NPJLELHWBJVTMQ-SNVBAGLBSA-N 243.262 2.017 0 40 BEAB CCN(CCN)Cc1cccc(C(F)(F)F)c1 41160372 IOSUHEZDNUMYDA-UHFFFAOYSA-N 246.276 2.486 0 40 BEAB O=C(Nc1ccccc1)c1cscn1 41506688 SYNYICWDYJEXNY-UHFFFAOYSA-N 204.254 2.395 0 40 BEAB Clc1ccc(OC2CNC2)c2ncccc12 42769707 IQXLGNVXBLRNOI-UHFFFAOYSA-N 234.686 2.239 0 40 BEAB Cc1nnc(SCC[C@H]2CCCCN2)s1 43499629 IZZDGKDWZITBIS-SECBINFHSA-N 243.401 2.471 0 40 BEAB C[C@H]1CCn2c(nc3cc(C(=O)O)ccc32)C1 49455168 LOJUHWIQLCZRJD-QMMMGPOBSA-N 230.267 2.317 0 40 BEAB CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 57792330 HZFGVRIGRCFKJH-WCBMZHEXSA-N 207.273 2.082 0 40 BEAB C[C@H]1CC(N)=NN1c1nc2ccccc2s1 59441350 ADLZROYRFFFVKU-ZETCQYMHSA-N 232.312 2.167 0 40 BEAB COc1ccccc1C(=O)N[C@@H](C)C(C)C 60626540 AMEDTLRESGFYKJ-JTQLQIEISA-N 221.300 2.470 0 40 BEAB CC[C@H](Oc1cccc2ccccc12)C(N)=O 61679693 GSOMEMFOTDDZMV-LBPRGKRZSA-N 229.279 2.483 0 40 BEAB O=C(Nc1cc[nH]n1)[C@@H]1C[C@@H]1c1ccccc1 68440520 FYKXVAXNLRZOPO-GHMZBOCLSA-N 227.267 2.152 0 40 BEAB C[C@H]1CCCCN1C(=O)NCC[C@@H]1CCCO1 71925625 JDBYKZAQKFGNDU-RYUDHWBXSA-N 240.347 2.140 0 40 BEAB CCN1CCC[C@@H]1c1ccc(NC)nc1 72212467 SPGOTUDTFXBETB-LLVKDONJSA-N 205.305 2.280 0 40 BEAB CC[C@H](O)c1ccc(N2CCCC2)nc1C 72224519 KPZOHTZBQRWSKJ-LBPRGKRZSA-N 220.316 2.434 0 40 BEAB CC[C@H](C)NC(=O)c1ccc2c(c1)ncn2C 74705399 OLJVJXRNMYCHRG-VIFPVBQESA-N 231.299 2.102 0 40 BEAB Brc1cn(Cc2ccccc2)nn1 84712223 YLXKYQSJEUVBMU-UHFFFAOYSA-N 238.088 2.089 0 40 BEAB COC(=O)c1scc(-c2ccccn2)c1N 85346591 DBJFGECPIMWXQK-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB CCCOc1ccc(C(=O)OC)cc1C(C)=O 85390011 ZHWXQBLTXQSITN-UHFFFAOYSA-N 236.267 2.465 0 40 BEAB CC(C)c1ccn(-c2ccc(C=O)cn2)n1 87718051 HWRMFXYEBDAKSO-UHFFFAOYSA-N 215.256 2.203 0 40 BEAB COc1cc(N)ccc1C(=O)OC(C)(C)C 89065113 BZXSOMGDXLCMQF-UHFFFAOYSA-N 223.272 2.233 0 40 BEAB C[C@@H](N)COCc1ccccc1OC(F)F 89262710 DZKLATWERPXHSH-MRVPVSSYSA-N 231.242 2.152 0 40 BEAB Cc1ccnc(N2C[C@@H]3CCCC[C@H]3C2)n1 95408710 AEYJDYWKNNZNCR-RYUDHWBXSA-N 217.316 2.411 0 40 BEAB CCc1ccc(NC[C@H]2C[C@@H]2CN)cc1 96509422 LWWYZGKFDTUAQN-VXGBXAGGSA-N 204.317 2.256 0 40 BEAB N[C@@H]1CCCN(Cc2nccc3ccccc23)C1 96523538 RMBALCNGKRXBAM-CYBMUJFWSA-N 241.338 2.158 0 40 BEAB Cc1cc(NC(=O)NCC(F)(F)F)ccc1O 97094736 ZFZVRBUGNUJZCQ-UHFFFAOYSA-N 248.204 2.384 0 40 BEAB OCC[C@@H](NCC(F)(F)F)C1CCCCC1 97138153 SGZBAGGEEIKZOD-SNVBAGLBSA-N 239.281 2.470 0 40 BEAB CCc1ccc(Cc2cc(C)n[nH]c2=O)cc1 199779974 XOXCGVQHNTYEJX-UHFFFAOYSA-N 228.295 2.232 0 40 BEAB CCOC(=O)c1cnc2cc3c(cc2c1)OCO3 214785847 SKPINVHJJOQUJR-UHFFFAOYSA-N 245.234 2.140 0 40 BEAB COC(=O)[C@@H]1CCc2[nH]c3ccccc3c21 217910459 WNPKSYBLLOPPJJ-SECBINFHSA-N 215.252 2.371 0 40 BEAB O=C(O)[C@H]1CC[C@H](c2cc(F)cc(F)c2)O1 218699861 QWQBQWGNSFVVOM-NXEZZACHSA-N 228.194 2.270 0 40 BEAB CCCCNc1ccc(N)cc1C(=O)NCC 225452956 MPKQQCAUTRBLKR-UHFFFAOYSA-N 235.331 2.231 0 40 BEAB CC(=O)NCCOc1cc(C)c(Cl)c(C)c1 243087412 IUHRJHVWBPWDGF-UHFFFAOYSA-N 241.718 2.472 0 40 BEAB CCn1nccc1CNc1ccnn1C(C)C 256054325 VWHXTAWOORZREE-UHFFFAOYSA-N 233.319 2.293 0 40 BEAB C[C@H](Oc1ccnc2ccccc12)C(=O)O 390149594 MHRMJNWAWXMVEK-QMMMGPOBSA-N 217.224 2.087 0 40 BEAB CC(C)OCc1ccn(CC(F)(F)F)n1 408715658 ZEVBFAURPSOYHN-UHFFFAOYSA-N 222.210 2.370 0 40 BEAB CCSc1cc(SCC)nc(N)n1 1675799 IEHTUUOMCXABRK-UHFFFAOYSA-N 215.347 2.283 0 40 BEAB O=C1NCCc2c1sc1ccccc21 1700959 GOZNAVOLNBPGLX-UHFFFAOYSA-N 203.266 2.187 0 40 BEAB CCCCN(CCCC)C(=O)[C@H](C)OC(C)=O 1871176 FCKCOYRIFOWGCE-NSHDSACASA-N 243.347 2.367 0 40 BEAB Nc1nc(SCc2ccccc2)ncc1C=O 2527301 MIJGEBUXWFARMQ-UHFFFAOYSA-N 245.307 2.164 0 40 BEAB Cc1nc2ccc(C(=O)NC3CC3)cc2s1 4739772 HXTUIWITBXEPOG-UHFFFAOYSA-N 232.308 2.497 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@@](C)(O)[C@H]1C 5533008 JLIHNYSKRZSBJF-ZANVPECISA-N 231.299 2.048 0 40 BEAB CN(C)C(=O)Sc1nc2ccccc2[nH]1 6621455 MZLBCCLDNZVIST-UHFFFAOYSA-N 221.285 2.337 0 40 BEAB COC(=O)c1c(N)c2c(Cl)cccc2n1C 8417194 PPOIVHJEQKJOJT-UHFFFAOYSA-N 238.674 2.201 0 40 BEAB COC(=O)c1cc2ccc(OC)cc2nc1C 10914591 XLMLODDPRMXNDQ-UHFFFAOYSA-N 231.251 2.338 0 40 BEAB O=C(c1ccoc1)N1CCc2ccccc2C1 17322082 LPQLMQSSMIBAAR-UHFFFAOYSA-N 227.263 2.478 0 40 BEAB CCn1cc(CNCCN(C)C)c2ccccc21 20968451 SRDHZAJYKQCBRW-UHFFFAOYSA-N 245.370 2.312 0 40 BEAB COc1ccc([C@@H]2CN[C@H]3CCCC[C@@H]3N2)cc1 29786573 ULTNYLBOBQQJAL-KKUMJFAQSA-N 246.354 2.240 0 40 BEAB in-vitro CC(=O)Nc1cccc(N2CCCC2)c1 30827601 WRPXXEDOJUHQKY-UHFFFAOYSA-N 204.273 2.245 0 40 BEAB O=C(Nc1ccc2c(c1)CCO2)c1cccnc1 31343408 MHPJTDAGYGUAOB-UHFFFAOYSA-N 240.262 2.269 0 40 BEAB CC(=O)Nc1cccc(CNC(=O)C2CCC2)c1 32361973 MNBLKMVTDVWNSH-UHFFFAOYSA-N 246.310 2.061 0 40 BEAB CCCC(=O)c1cn(CC(N)=O)c2ccccc12 33619218 UIYUNCFKYXDPBL-UHFFFAOYSA-N 244.294 2.109 0 40 BEAB CN[C@H](CC(C)C)C(=O)OCc1ccccc1 34187451 CXFYAORPHAAFTE-CYBMUJFWSA-N 235.327 2.364 0 40 BEAB O=C(CC(F)(F)F)NCc1ccccc1 34409042 YIQOKYUDYYVPDM-UHFFFAOYSA-N 217.190 2.255 0 40 BEAB c1ccc2c(c1)CCCC[C@@H]2N1CCNCC1 34521605 RUPPNTKKSZNANF-HNNXBMFYSA-N 230.355 2.359 0 40 BEAB CSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 34862829 AMQFZOPFHJQGLB-IVZWLZJFSA-N 215.362 2.290 0 40 BEAB Cc1cc(C)cc(-c2nnc(S)[nH]2)c1 36948353 MSYNUJHWLVNRIN-UHFFFAOYSA-N 205.286 2.377 0 40 BEAB CCOC(=O)CCOc1ccc(OC)cc1 36984768 RWIVKEHBYNJTNN-UHFFFAOYSA-N 224.256 2.027 0 40 BEAB CN(Cc1ccccc1)[C@H]1CCC[C@@H]1O 37489620 IXHIAEDIWOYRFY-STQMWFEESA-N 205.301 2.032 0 40 BEAB CN(CC(C)(C)C)C(=O)Cc1cccc(N)c1 52923627 MVCOVXSSXOJDCJ-UHFFFAOYSA-N 234.343 2.316 0 40 BEAB N[C@H]1CC(=O)c2cc(Br)ccc21 57953133 GJSLWXGTMFHIII-QMMMGPOBSA-N 226.073 2.035 0 40 BEAB COc1ccc(/C=C/C(O)=C/C2=NCCN2)cc1 62716121 RBZJCTAJCONTKA-AIAJSYEQSA-N 244.294 2.152 0 40 BEAB CCOC(=O)c1n[nH]c2cc(Cl)ccc12 66354412 ODNWYEBPQBUTHM-UHFFFAOYSA-N 224.647 2.393 0 40 BEAB in-vitro O[C@@]1(c2ccc(C(F)(F)F)cc2)CCCNC1 71559605 RFPXZCXMMBGXTE-NSHDSACASA-N 245.244 2.276 0 40 BEAB CCC(CC)CNC(=O)c1ccc2[nH]nnc2c1 71847798 ZAJXWICWVZAMQS-UHFFFAOYSA-N 246.314 2.124 0 40 BEAB Cc1cc(Cl)ncc1[C@@H]1CCCN1C=O 72217827 PDZRYFAQFJZDJI-JTQLQIEISA-N 224.691 2.337 0 40 BEAB CC(C)n1nc(C(F)(F)F)c2c1CCNC2 82810403 AYRDAFUGDZFUML-UHFFFAOYSA-N 233.237 2.129 0 40 BEAB NCC(=O)c1cc(Cl)cc(Br)c1 84574862 NEVSPROIZPRZCI-UHFFFAOYSA-N 248.507 2.244 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)NCc1cccc(N(C)C)c1 84686919 BHOUCIBMVXXFAC-MFKMUULPSA-N 232.327 2.025 0 40 BEAB C[C@H](C(=O)O)n1cc(-c2ccccc2F)cn1 85391393 FZNLIWJXVCYGEP-MRVPVSSYSA-N 234.230 2.335 0 40 BEAB O=C1C[C@@H](C(=O)O)[C@@H](c2ccccc2Cl)O1 85394731 NFZQACJEHJLFGG-GMSGAONNSA-N 240.642 2.029 0 40 BEAB Cc1[nH]ncc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 87782136 PXLOMUMDRSEITK-JQWIXIFHSA-N 233.315 2.123 0 40 BEAB COc1cc(C(=O)O)cc(Cl)c1C 95095535 GYAGZIXPQTWFBP-UHFFFAOYSA-N 200.621 2.355 0 40 BEAB C[C@H](NC[C@@H](C1CC1)N(C)C)C(C)(C)C 95420554 MHYOZZSVDXYXMW-JQWIXIFHSA-N 212.381 2.351 0 40 BEAB O=C(O)c1ccc(/C=C/c2ccnnc2)cc1 95434381 YQWKQYIVOMPLNP-OWOJBTEDSA-N 226.235 2.345 0 40 BEAB Cn1cc(N)c(Oc2ccc(F)cc2F)n1 95836579 YQOKNMSSSAPZFT-UHFFFAOYSA-N 225.198 2.073 0 40 BEAB C[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 96026222 CJGCFSACALSTJS-DGCLKSJQSA-N 233.311 2.085 0 40 BEAB CCc1nsc(N[C@@H]2CCC[C@]2(C)CO)n1 96455803 ZGMAXQNILZBTFI-LDYMZIIASA-N 241.360 2.064 0 40 BEAB OCC1(Oc2ccccc2Br)CC1 96511783 UPASPANXEOJZLG-UHFFFAOYSA-N 243.100 2.353 0 40 BEAB O=C(/C=C1/CCCCN1)OCc1ccccc1 96528457 WVGIBCLIBLMLHU-RAXLEYEMSA-N 231.295 2.387 0 40 BEAB Cc1ccc2oc(CN3CC[C@H](N)C3)cc2c1 97102818 OYHCMIXRIPASHF-LBPRGKRZSA-N 230.311 2.274 0 40 BEAB Cc1cccc(O)c1NC(=O)c1cncc(F)c1 97233792 MUCYOWRZWHWKCE-UHFFFAOYSA-N 246.241 2.487 0 40 BEAB CCN(CC)[C@H](Cc1cccc(C)c1)C(=O)O 107843791 GJJJCRPCXPGYLT-CYBMUJFWSA-N 235.327 2.333 0 40 BEAB C[C@@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@H]2N1 110751070 VDOFOLSTKIOEDA-MKPLZMMCSA-N 217.316 2.203 0 40 BEAB N[C@@H]1CCC[C@H]1Oc1ccc(C(F)(F)F)cn1 136427860 LYLZVADBRHFGQZ-RKDXNWHRSA-N 246.232 2.359 0 40 BEAB CCNCc1c(C)[nH]c2ccc(O)cc12 144954595 JRGVTMZUAUBRFH-UHFFFAOYSA-N 204.273 2.291 0 40 BEAB C[C@@H]1C[C@]1(CN)[C@@H](O)c1ccc(Cl)cc1 216576143 FMRUFLXRUIWCBX-JFUSQASVSA-N 225.719 2.358 0 40 BEAB COc1cc(F)cc(Br)c1C(=O)O 258833864 MWFBSYXUJFFBPV-UHFFFAOYSA-N 249.035 2.295 0 40 BEAB O=C(O)c1nc(Cl)c2ccsc2n1 265540680 NSVONJCRKTWGCE-UHFFFAOYSA-N 214.633 2.043 0 40 BEAB C[C@@H](c1noc(CCn2cccn2)n1)C1CC1 274156832 ZGGWIJNIXOIJMG-SECBINFHSA-N 232.287 2.022 0 40 BEAB CO[C@H]1CCCN[C@H]1Cc1cccc(F)c1 585274843 PIMUONLPUZLZOZ-STQMWFEESA-N 223.291 2.135 0 40 BEAB Fc1cc2c(Br)c[nH]c2cn1 675050497 LLHKXLCFXUEISH-UHFFFAOYSA-N 215.025 2.465 0 40 BEAB OCc1nn(C2CCCC2)cc1Cl 685936482 ZYUYSOGWGXSVDV-UHFFFAOYSA-N 200.669 2.144 0 40 BEAB O=C([C@@H]1CCCO1)N1CCC(=C2CCC2)CC1 1775986178 ZFNGUNQGMXGTLJ-ZDUSSCGKSA-N 235.327 2.268 0 40 BEAB COc1ccc(-c2nnc(SC)n2C)cc1 1332841 JJNVTOZYUABEKT-UHFFFAOYSA-N 235.312 2.213 0 40 BEAB CCOC(=O)c1oc2ccccc2c1CN 1572597 SWZMVJIGYDOJCN-UHFFFAOYSA-N 219.240 2.068 0 40 BEAB in-vitro Cc1nc(N(C)C)oc(=O)c1Cc1ccccc1 1610045 JGWZUUINMIFYRV-UHFFFAOYSA-N 244.294 2.000 0 40 BEAB CN(C)Cc1ccc(O)c(Br)c1 1671211 JQDIYMKBEBVJLI-UHFFFAOYSA-N 230.105 2.216 0 40 BEAB CC(=O)c1ccc(NC(=O)[C@H](C)NC(C)C)cc1 3326005 TYIQCXFNQWXYBT-JTQLQIEISA-N 248.326 2.214 0 40 BEAB CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1C 3443042 JOXNDFIMRHMELY-NSHDSACASA-N 241.356 2.380 0 40 BEAB O=C1CCSc2nc(-c3ccc(F)cc3)nn21 4291742 GTOCILGCMOTSQD-UHFFFAOYSA-N 249.270 2.220 0 40 BEAB c1ccc(NC2=NN(c3ccccc3)NO2)cc1 6045598 NSQOCRVVJWNAON-UHFFFAOYSA-N 240.266 2.326 0 40 BEAB Cc1ccc(Nc2cc(C)nc3ncnn23)cc1 17966866 DSIFRBWQRQZHCP-UHFFFAOYSA-N 239.282 2.485 0 40 BEAB NNCc1cccc(Oc2ccccc2)c1 19397078 JXEZXYGQMJANLE-UHFFFAOYSA-N 214.268 2.442 0 40 BEAB Cc1ccc(-c2nc(CCC(=O)O)no2)cc1 19682325 DIKOGABQHBPWPX-UHFFFAOYSA-N 232.239 2.062 0 40 BEAB COCCCN[C@H](C)c1ccccc1OC 20142322 TYXNTIBEQVZQTK-LLVKDONJSA-N 223.316 2.382 0 40 BEAB CC(C)(C)OC(=O)[C@H]1CCC[C@H](C(=O)O)C1 22113946 NFRPKIATGQQKHI-IUCAKERBSA-N 228.288 2.219 0 40 BEAB Cc1cc(C(=O)O)c2c(C3CC3)noc2n1 22214435 ATWDIHGDDPXCHI-UHFFFAOYSA-N 218.212 2.107 0 40 BEAB in-vitro C[C@H](Cc1ccco1)NC(=O)c1cccnc1 33206543 JBRMZVLGMPAGMG-SNVBAGLBSA-N 230.267 2.036 0 40 BEAB Cn1cc(NCCc2ccccc2)cn1 35737854 YRZFSTJPMSXKCV-UHFFFAOYSA-N 201.273 2.075 0 40 BEAB CS[C@@H](C)C(=O)NCc1sccc1C 36398266 GHZYJRZVJKEEJT-QMMMGPOBSA-N 229.370 2.424 0 40 BEAB O=[S@@](O)c1ccccc1Br 36533431 ZHSKXPDVIUDXON-UHFFFAOYSA-N 221.075 2.030 0 40 BEAB O=C(O)c1ccc2c(c1)ncn2CC1CC1 36780042 HORNRKMLGOUXTB-UHFFFAOYSA-N 216.240 2.145 0 40 BEAB Cc1ccccc1[C@H](CN)N1CCCCC1 38827602 VLNKNMJEGZNBOP-AWEZNQCLSA-N 218.344 2.481 0 40 BEAB CC(=O)c1n[nH]c2c(-c3ccccc3)c(C)nn12 40164003 YLXSKZRININWBN-UHFFFAOYSA-N 240.266 2.235 0 40 BEAB O=C(O)CCc1cn2cc(Cl)sc2n1 40457357 WWWQYGQNWMJQJL-UHFFFAOYSA-N 230.676 2.066 0 40 BEAB CC1CCC(N(C)C(=O)[C@@H](C)n2cccn2)CC1 40496978 OXKWASQCJJSRRH-OTTFEQOBSA-N 249.358 2.481 0 40 BEAB COC(=O)CCCNC(=O)CCC1CCCC1 42369953 VELJCOVCRCRSBN-UHFFFAOYSA-N 241.331 2.026 0 40 BEAB OC[C@@H]1CCCN1Cc1cccc2cccnc12 50113629 QARFEQRADONUIJ-AWEZNQCLSA-N 242.322 2.192 0 40 BEAB COC(=O)c1[nH]ccc1-c1ccc([N+](=O)[O-])cc1 59637634 VWIVHTAPBGSFBE-UHFFFAOYSA-N 246.222 2.377 0 40 BEAB COC(=O)c1ccc2cccc(F)c2n1 62569256 LYYBOMDMNAFSBQ-UHFFFAOYSA-N 205.188 2.161 0 40 BEAB O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)cc1 65347758 BKXRBGAQGOLFPW-UHFFFAOYSA-N 243.218 2.145 0 40 BEAB CCOC(=O)[C@H](C)NC(=O)C[C@@H](C)CC(C)C 67910633 VRFPFDNXSDOUIR-QWRGUYRKSA-N 243.347 2.127 0 40 BEAB C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CN 70176826 ADVQKRDOEPCDLT-DGCLKSJQSA-N 238.375 2.153 0 40 BEAB CC[C@@H](N)c1ccc(N2CCCC2)nc1C 72224526 XTRIUFJGNYLUFC-GFCCVEGCSA-N 219.332 2.400 0 40 BEAB Cc1cc(CCNC(=O)CC2CCCC2)on1 77122342 ZRTKZJYDFJWTSD-UHFFFAOYSA-N 236.315 2.222 0 40 BEAB COc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 80992900 QCFNIMQVJGKILK-ZDUSSCGKSA-N 248.326 2.166 0 40 BEAB O=C(C1=CCCCO1)N1CC[C@H]2CCCC[C@@H]21 89818647 GANXLICJLUNNQW-NEPJUHHUSA-N 235.327 2.472 0 40 BEAB OC[C@]1(c2ccccc2)CCN2CCCC[C@@H]21 95951696 QKDCTUBAQIWOAZ-CABCVRRESA-N 231.339 2.175 0 40 BEAB C[C@H]1C[C@H](NCCc2ccnn2C)CC[C@H]1C 97380129 YRFQWWUPZJCZGW-FRRDWIJNSA-N 235.375 2.377 0 40 BEAB COc1ccccc1Cc1cnc(N)s1 108234495 YOSDKTGNPFABRZ-UHFFFAOYSA-N 220.297 2.325 0 40 BEAB CN(CCc1ccccn1)C[C@H]1CCC=CO1 194628739 VJSMOQFDLNJEKV-CQSZACIVSA-N 232.327 2.249 0 40 BEAB CC[C@@H](NN)c1c(F)ccc(F)c1F 199535078 NLNBRHBPISWFJB-SSDOTTSWSA-N 204.195 2.018 0 40 BEAB CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@H](CO)O2 209934384 ZBJCYZPANVLBRK-YVECIDJPSA-N 228.332 2.183 0 40 BEAB endogenous,in-man O=C(O)/C=C/NC(=O)Nc1cccc(Cl)c1 222696044 KBQJMZKUKPYUIJ-SNAWJCMRSA-N 240.646 2.060 0 40 BEAB OCCc1nc(-c2ccccc2)n2c1CCCC2 225746848 KLXHMYVKFKRITG-UHFFFAOYSA-N 242.322 2.421 0 40 BEAB CC(=O)OCC(=O)c1ccc(C)cc1Cl 308840169 YHZFESSPTMHSSH-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@]12CCCN2 953095572 HIGGOCDLORTFFA-GXFFZTMASA-N 240.347 2.186 0 40 BEAB CC(=O)NC(=S)Nc1c(C)cc(C)cc1C 1003787 XSWDVYWNTZNOHF-UHFFFAOYSA-N 236.340 2.445 0 40 BEAB O=C(OCc1cnc(Cl)s1)C1CC1 1392614 SHZFIDNHQXUZPU-UHFFFAOYSA-N 217.677 2.250 0 40 BEAB CC(C)[P@](=O)(CC(=O)O)c1ccccc1 1733211 VCEAYCFLVDQAAI-OAHLLOKOSA-N 226.212 2.168 0 40 BEAB CCOC[C@H]1CO[C@H](/C=C\c2ccccc2)O1 4802514 SNOONPGSCTXEMP-GZLNQGQSSA-N 234.295 2.478 0 40 BEAB C[C@@H](c1ccccc1)n1cncc1C(=O)N(C)C 5503443 LQXDSNFBXMGMFO-NSHDSACASA-N 243.310 2.194 0 40 BEAB CCN(CC)C(=O)c1cc(Br)c[nH]1 12338435 XDOVQMGABONHHJ-UHFFFAOYSA-N 245.120 2.259 0 40 BEAB O=C(O)c1cnn(Cc2cccc(Cl)c2)c1 12357810 NLYKYYBEGQPGJL-UHFFFAOYSA-N 236.658 2.283 0 40 BEAB CC(C)NC(=O)[C@H]1Cc2ccccc2S1 12865280 NLKVEGNEEKPXKH-LLVKDONJSA-N 221.325 2.228 0 40 BEAB CSc1ncccc1C(=O)Nc1ccncc1 15951997 RPKBEFRTMPJJFW-UHFFFAOYSA-N 245.307 2.451 0 40 BEAB NC1(Cc2ccccc2Cl)CCOCC1 16771342 IIQGAWUFMVYKPZ-UHFFFAOYSA-N 225.719 2.390 0 40 BEAB CCCN1CCO[C@@H](c2ccccc2)C1 28957341 VYAMLADJSHKTKB-CYBMUJFWSA-N 205.301 2.470 0 40 BEAB O=C(/C=C/c1ccncc1)NCc1ccco1 29106949 TVEDQKZYRAHDDP-ONEGZZNKSA-N 228.251 2.004 0 40 BEAB Cc1cnc(NC(=O)CC[C@@H]2CCCO2)s1 32816009 ZVFUQRPGSOWHBE-VIFPVBQESA-N 240.328 2.349 0 40 BEAB CCN(CC)CC(=O)NCCCc1ccccc1 40461075 RRKGHEZQOWXMDV-UHFFFAOYSA-N 248.370 2.077 0 40 BEAB CN(C)c1cc(C(=O)NCC2CCCC2)ccn1 40535517 VYPVXZUPZCXEEZ-UHFFFAOYSA-N 247.342 2.068 0 40 BEAB Cc1cccc(-c2nc(C(=O)O)c(C)[nH]2)c1 41228795 QKGAYNNYZHJULN-UHFFFAOYSA-N 216.240 2.392 0 40 BEAB in-vitro Cc1cccc(Nc2nc(C)cc(NN)n2)c1 44845881 MGCYQNIMHFEIMS-UHFFFAOYSA-N 229.287 2.123 0 40 BEAB Cc1ccc([C@@H](C)NC(=O)c2ncccc2O)o1 49225671 ACFMMUQOLVSSEC-SECBINFHSA-N 246.266 2.180 0 40 BEAB O=C(C1CCC1)N1CCc2ccccc2C1 50080560 IUFWRJBGBUIQFT-UHFFFAOYSA-N 215.296 2.371 0 40 BEAB Cc1n[nH]c(C)c1C(=O)N1Cc2ccccc2C1 50913621 BYYIXGWGUCWYAP-UHFFFAOYSA-N 241.294 2.183 0 40 BEAB O=C(O)c1sc(Cl)c(Cl)c1O 59917985 UOWAGVBRYOWANR-UHFFFAOYSA-N 213.041 2.459 0 40 BEAB COC(=O)c1c(Cl)cc(C(=O)O)cc1Cl 60007939 HEPDHTNDZDMUBB-UHFFFAOYSA-N 249.049 2.478 0 40 BEAB CC[C@@H](Cc1cccc(OC)c1OC)C(=O)O 62711203 XXKRUVSFCPQMIG-VIFPVBQESA-N 238.283 2.357 0 40 BEAB O=C(NCCN1CCCCCC1)C1CCCC1 65505335 RJGSKRQPQFRYKF-UHFFFAOYSA-N 238.375 2.169 0 40 BEAB CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OC 68708506 JJTVJYIRQKTDEE-IJLUTSLNSA-N 227.348 2.496 0 40 BEAB CCOC(=O)C(=O)c1ccc(OCC)c(C)c1 71546984 SDSHFQWXHYCICZ-UHFFFAOYSA-N 236.267 2.140 0 40 BEAB O=CN1CCC[C@H]1c1cccnc1Cl 72211486 BYPTVTXUXUDXBR-VIFPVBQESA-N 210.664 2.028 0 40 BEAB CCCc1cc(C(=O)Nc2ccnc(C)c2)[nH]n1 75137467 KBPXOEBOUWPODN-UHFFFAOYSA-N 244.298 2.318 0 40 BEAB CC(C)(C)OC(=O)NCCc1ccccc1O 75629575 FTWBHNHOAIDEOH-UHFFFAOYSA-N 237.299 2.459 0 40 BEAB Nc1cc(Br)ncc1Cl 79007126 WGAUNCHRNBJWNU-UHFFFAOYSA-N 207.458 2.080 0 40 BEAB Cn1c(-c2ccccc2Cl)cnc1N 82169094 RCGRDABTUBCDRH-UHFFFAOYSA-N 207.664 2.323 0 40 BEAB CC1CCN(C(=O)[C@H]2CCCS2)CC1 82301703 JVWPCHSCPLCQHO-SNVBAGLBSA-N 213.346 2.141 0 40 BEAB O[C@@H]1Cc2ccccc2[C@H]1NCc1ccsc1 85333351 ZNUAXQOWGPQKAG-ZIAGYGMSSA-N 245.347 2.496 0 40 BEAB O[C@@H]1Cc2ccccc2[C@H]1NC1CCSCC1 95969139 ZUBDGDRMDNVQLO-ZIAGYGMSSA-N 249.379 2.130 0 40 BEAB Cc1ccccc1C[C@@H](C)NCC1(CO)CC1 97017190 IWMDHDRLOLUAGS-CYBMUJFWSA-N 233.355 2.288 0 40 BEAB Cc1cccc(N2CC[C@H]3OCCC[C@@H]3C2)n1 97096673 KXTCLVQVFQHQEV-CHWSQXEVSA-N 232.327 2.395 0 40 BEAB CC1(C)COC(/C=C(\O)c2ccncc2)=N1 100098892 WGGBVAUZNYZMGO-YFHOEESVSA-N 218.256 2.188 0 40 BEAB CC[C@H]1C(=O)N(c2cccc(C(=O)O)c2)N=C1C 103515941 YFTUMRAQSVSEGP-LLVKDONJSA-N 246.266 2.134 0 40 BEAB CC(C)[C@@H](N)CCN(C)C(=O)c1ccsc1 132992521 HLNIEXLMJNHWGA-NSHDSACASA-N 240.372 2.194 0 40 BEAB O=c1oc(=O)c2ccsc2c2sccc12 144720275 UGFYLGZFYCTMFU-UHFFFAOYSA-N 236.273 2.429 0 40 BEAB in-vitro CC(=O)c1ccc(CCNC(=O)C2CC2)s1 225669654 VCJXSALIDASFLM-UHFFFAOYSA-N 237.324 2.019 0 40 BEAB CCOC(=O)c1c[nH]c2cccc(F)c12 238302935 XQRUBKFUXNJPRN-UHFFFAOYSA-N 207.204 2.484 0 40 BEAB CC[C@H](C)n1ccc(NCc2ccn(C)n2)n1 256053759 SSIFBMXZQMIZKH-JTQLQIEISA-N 233.319 2.200 0 40 BEAB CC(C)(C)OC(=O)N[C@H]1CC[C@]12CCCNC2 306778317 OOQKLUARVRMVMW-GWCFXTLKSA-N 240.347 2.043 0 40 BEAB CCc1nc(CN2CCC[C@@H]2C(F)(F)F)no1 527629575 KOSAAIJQZGVWLK-SSDOTTSWSA-N 249.236 2.159 0 40 BEAB CCCC[C@@H](CC)CNC(=O)CCC(=O)O 2084720 MYPCYAJYIBCWHR-SNVBAGLBSA-N 229.320 2.184 0 40 BEAB biogenic CCOC(=O)CCC(=O)c1cc(F)ccc1F 2378973 NSIAFOFHAZEZGO-UHFFFAOYSA-N 242.221 2.491 0 40 BEAB O=C(NC1CC1)c1sccc1-n1cccc1 6244352 IZHGQMHMVMBGBH-UHFFFAOYSA-N 232.308 2.431 0 40 BEAB CCOC(=O)c1c(C)[nH]c2c1CCCC2 9942919 KIJNMEYGCXHNRS-UHFFFAOYSA-N 207.273 2.379 0 40 BEAB Cc1cc(C)cc(NC(=O)Cn2ccnc2)c1 10809286 UEZYMJVIRYHNLL-UHFFFAOYSA-N 229.283 2.139 0 40 BEAB c1ccc2[nH]c(-c3nn4cnnc4s3)cc2c1 13682412 IVXKYYAUUQEXOJ-UHFFFAOYSA-N 241.279 2.334 0 40 BEAB c1cc2c(cc1OC[C@@H]1CCNC1)CCC2 14632429 BNKFSMSYTHVWCP-LLVKDONJSA-N 217.312 2.164 0 40 BEAB CSCC[C@H](N)c1nc2ccccc2n1C 19734602 FTBGQXITHUXBBE-VIFPVBQESA-N 235.356 2.326 0 40 BEAB Cc1cc(NC(=O)c2ccco2)ccc1N 20157101 DWQMSGBPDBVATI-UHFFFAOYSA-N 216.240 2.423 0 40 BEAB CCCCN1CN(CCC)CN=C1S 20190547 ROCSHLOHTYJBQY-UHFFFAOYSA-N 215.366 2.015 0 40 BEAB Cc1cccc(CN2CCC[C@H](C(=O)O)C2)c1 20266771 JANXWXFEKJLETQ-ZDUSSCGKSA-N 233.311 2.292 0 40 BEAB Cc1cc(C(=O)NCCc2cccs2)on1 25717335 BHBKYOAEADXFMB-UHFFFAOYSA-N 236.296 2.017 0 40 BEAB O=C(O)c1ccnc(-c2ccc(Cl)cc2)n1 26505970 NSZKRXBJKXWLMN-UHFFFAOYSA-N 234.642 2.495 0 40 BEAB in-vitro CSc1nccn1-c1cccc(C(=O)O)c1 32625200 HJYFTERKJKJIDX-UHFFFAOYSA-N 234.280 2.292 0 40 BEAB in-vitro O=C(c1ccc2c(c1)OCCCO2)N1CCCC1 32716561 BBGLQIHKIHSFLT-UHFFFAOYSA-N 247.294 2.084 0 40 BEAB C[C@@H](N)[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 37362457 ATVUCOFCESBIAI-GGZOMVNGSA-N 203.285 2.072 0 40 BEAB CC(C)C(=O)Nc1cc(C(=O)O)c(F)cc1F 37403604 ZGVYKILXYSAKML-UHFFFAOYSA-N 243.209 2.258 0 40 BEAB in-vitro COC(=O)C(=O)c1cccc2ccccc12 39250266 SZAFHPVKHPLRRD-UHFFFAOYSA-N 214.220 2.196 0 40 BEAB CCCN(CCC)C[C@@H](N)CCSC 39794815 TYTUMLNFFLQEHS-NSHDSACASA-N 218.410 2.189 0 40 BEAB CCONC(=O)CCc1ccc(Cl)cc1 40049100 UDMBXQZUBHZITC-UHFFFAOYSA-N 227.691 2.340 0 40 BEAB Cc1ccoc1C(=O)N1CCC[C@@H](C)C1 40480528 AFXOTLDCLFUSCD-SECBINFHSA-N 207.273 2.460 0 40 BEAB O=C(O)c1cc2c(s1)CCSC2 42335370 GNFCYTBCYXABDO-UHFFFAOYSA-N 200.284 2.236 0 40 BEAB in-vitro CCCOc1ccc(C(=O)C(=O)OCC)cc1 43504632 NBOAWUCYJFLRTJ-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB COC(=O)[C@@H](C)CN[C@@H](C)CCc1ccccc1 44288539 CBHOGIOVSJMKPU-STQMWFEESA-N 249.354 2.406 0 40 BEAB CCN(CC)Cc1cccc(NC(C)=O)c1 46016158 ZUNFCOLNGCBGPG-UHFFFAOYSA-N 220.316 2.487 0 40 BEAB CC(C)=CCN(C[C@@H]1CCOC1)C1CC1 46092852 VZRGFUKIXJFDLZ-LBPRGKRZSA-N 209.333 2.454 0 40 BEAB CCN1CCN(C(=O)c2ccc(C)cc2C)CC1 46465739 ZFEFWYVVOUFQOR-UHFFFAOYSA-N 246.354 2.081 0 40 BEAB CC(C)c1nnc(-c2cccc(N)c2)o1 50308854 LCSNKXVGUFXBRM-UHFFFAOYSA-N 203.245 2.442 0 40 BEAB O=C(O)[C@H]1C[C@@]12CCCc1ccccc12 52126546 WVRLFWFGLWUZBD-DGCLKSJQSA-N 202.253 2.365 0 40 BEAB in-vitro OC1(CNCc2ccccc2)CCCC1 55063161 KIFNOHTZEIUBSF-UHFFFAOYSA-N 205.301 2.081 0 40 BEAB in-vitro CCCC(=O)NCCc1cccc(F)c1 58363629 URGVFRNAMQYGHY-UHFFFAOYSA-N 209.264 2.285 0 40 BEAB C[C@@](CN)(c1ccccc1)N1CCCCC1 59842762 WJTVYSCXELPPQR-CQSZACIVSA-N 218.344 2.346 0 40 BEAB CCC(CC)C(=O)Nc1cnccc1OC 69377300 DQSBOGGQDBZHDS-UHFFFAOYSA-N 222.288 2.465 0 40 BEAB O=C1OCC[C@@H]1N[C@H](c1ccccc1)C1CCC1 69492650 IZMJJSKCWHQUQA-UONOGXRCSA-N 245.322 2.433 0 40 BEAB CCC(CC)(CN)NC(=O)OC(C)(C)C 70621477 PEKAMQZCKGBAMG-UHFFFAOYSA-N 216.325 2.029 0 40 BEAB in-vitro CCN(CC1CCNCC1)C(=O)OC(C)(C)C 71790848 QTKIXLPXKKSGGQ-UHFFFAOYSA-N 242.363 2.243 0 40 BEAB CC(C)C(=O)N1CCCC[C@@H]1c1ccncn1 72187567 MRASHAAFZGWACQ-GFCCVEGCSA-N 233.315 2.186 0 40 BEAB CC(=O)N1CCCC[C@H]1c1ccc(C)nc1 72211270 NQDCWGDFHAQVIR-ZDUSSCGKSA-N 218.300 2.464 0 40 BEAB CC[C@H](N)c1cnc(N(C)CC)cc1C 72223242 GGOSXMPHEPACAQ-NSHDSACASA-N 207.321 2.256 0 40 BEAB CC[C@H]1CN(C[C@@H]2CCCCO2)CCS1 78947912 RUTUOWHRAKDCMR-RYUDHWBXSA-N 229.389 2.383 0 40 BEAB O=C(N[C@@H]1CCSC1)c1ccc(F)cc1 81035340 QCILHUPLPFYMRM-SNVBAGLBSA-N 225.288 2.061 0 40 BEAB Nc1cc(Cl)c(C(=O)O)c(Cl)c1 88190256 IUMLFJXZSWXTEC-UHFFFAOYSA-N 206.028 2.274 0 40 BEAB Cc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 89721430 SXVLHPQRXWXODY-BBBLOLIVSA-N 239.344 2.216 0 40 BEAB C[C@H]1C[C@H]1C(=O)N1CCN(C)Cc2ccccc21 89920451 VSPNQOVMEANQFU-WCQYABFASA-N 244.338 2.121 0 40 BEAB O=C(O)c1c(F)cnc2cc(F)ccc12 90558505 CXGUTIIHJMFOBR-UHFFFAOYSA-N 209.151 2.211 0 40 BEAB Cc1cc(Cl)cc(C)c1CN[C@@H](C)CO 95441227 CSRKXHMUCKWHKT-JTQLQIEISA-N 227.735 2.427 0 40 BEAB CCOC(=O)c1cc2ccc(O)cc2[nH]1 95626983 FVMVBNSCNRLYIJ-UHFFFAOYSA-N 205.213 2.050 0 40 BEAB CSCCCNC(=O)Nc1ncccc1C 95960484 CDCCBNXSQFPVFU-UHFFFAOYSA-N 239.344 2.265 0 40 BEAB CCOCCC(=O)NCc1ccccc1CC 96418800 YOSJLUQDQXGAMS-UHFFFAOYSA-N 235.327 2.292 0 40 BEAB CCC(C)(C)COC(=O)c1ccc(OC)nn1 96442995 FHUZWLDEQWGJHP-UHFFFAOYSA-N 238.287 2.078 0 40 BEAB CC(C)=CC(=O)N[C@@H](c1nccc(C)n1)C1CC1 96487320 KOKIHSRDTBFQQE-CYBMUJFWSA-N 245.326 2.319 0 40 BEAB Cc1ccc(C)c(-c2ccnn2CCO)c1 96527602 WZENEIBSBJSTFZ-UHFFFAOYSA-N 216.284 2.159 0 40 BEAB CCCCC[C@@H](NC(=O)C=C(C)C)C(=O)O 97036358 CYXTZTPPBDWNHK-SNVBAGLBSA-N 227.304 2.102 0 40 BEAB C[C@H](C(=O)O)[C@H](C(=O)O)[C@H](C)c1ccccc1 101124824 AOOUEKJMMFRAPN-WCABBAIRSA-N 236.267 2.212 0 40 BEAB C[C@H]1C[C@H](C)CC[C@H]1NC[C@@H](C)[S@@](C)=O 195560808 GWNOXSJHARWDTG-NVGYGPBWSA-N 231.405 2.168 0 40 BEAB Nc1cc(-n2cnnc2)ccc1NC1CCCC1 216751687 NGWBNCDCAAVVNN-UHFFFAOYSA-N 243.314 2.204 0 40 BEAB CC[C@H]1CSC2=N[C@H](c3ccccn3)CN21 222639437 UYNCEWGAJVXHGO-ONGXEEELSA-N 233.340 2.320 0 40 BEAB CCNC(=O)c1ccc(OCC)c(Cl)c1 223958491 JIGAJCAAGUXWGE-UHFFFAOYSA-N 227.691 2.488 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccnc(Cl)c1 257199758 AASDQWZEEPSPLL-SNVBAGLBSA-N 224.691 2.418 0 40 BEAB CCOCCN1CCCC[C@H]1c1[nH]ncc1C 257260433 LCUUZVGZSSCPFU-LBPRGKRZSA-N 237.347 2.282 0 40 BEAB C[C@H](N)CCc1ccc(-c2ccnn2C)cc1 521398631 VMCDQPAGVBWZPY-NSHDSACASA-N 229.327 2.367 0 40 BEAB C[C@@H]1[C@H](O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 575447693 GRGUTZRHELOISE-GIPNMCIBSA-N 241.331 2.014 0 40 BEAB CCOc1nc2c(F)cccc2cc1N 685937022 HGWBLBSKEHEFNJ-UHFFFAOYSA-N 206.220 2.355 0 40 BEAB O=C(NC1CCCC1)c1cccnc1Cl 311860 ROXFDGGIMQZRPV-UHFFFAOYSA-N 224.691 2.407 0 40 BEAB C=C(c1ccccc1)N1N=N[C@H]2CCO[C@@H]21 1579980 YFBDYCQTMWEQOA-RYUDHWBXSA-N 215.256 2.455 0 40 BEAB C[C@@H]1OCCS[C@H]1C(=O)Nc1ccccc1 2169033 HTCPXRKFYZHPSL-GXSJLCMTSA-N 237.324 2.146 0 40 BEAB CCOC(=O)CCCCCC(=O)CC 2243665 HXNARZJMTUBIIM-UHFFFAOYSA-N 200.278 2.479 0 40 BEAB O=C(O)C(O)(c1cccs1)c1cccs1 2525482 FVEJUHUCFCAYRP-UHFFFAOYSA-N 240.305 2.130 0 40 BEAB in-vitro Cc1cnn([C@@H](C)c2nnc(NC3CC3)s2)c1 2787844 ZPKRZNUORPEEDL-QMMMGPOBSA-N 249.343 2.227 0 40 BEAB C[C@]1(O)C[C@@H](c2ccccc2)S[C@@H]1C(=O)O 4722286 YMQZLPSBXBXWNW-UMNHJUIQSA-N 238.308 2.069 0 40 BEAB C[C@@H]1CCC[C@H](NC(=S)NC2CC2)[C@@H]1C 7526485 FKBYCYJTJOSXCB-KKZNHRDASA-N 226.389 2.438 0 40 BEAB CCC[C@H](Nc1ccc(OC)cc1)C(=O)O 8702792 MAZOTWBXKJKTAK-NSHDSACASA-N 223.272 2.360 0 40 BEAB Cc1ccc2c(c1)c(C[C@H](C)N)cn2C 8993263 KRBSZMGDJRTLBI-JTQLQIEISA-N 202.301 2.376 0 40 BEAB Cc1nc(=O)c(-c2ccc(Cl)cc2)c(O)[nH]1 16941334 PGDKBFIOBFQCBC-UHFFFAOYSA-N 236.658 2.104 0 40 BEAB CC(C)COc1ncc(C(=O)O)cc1Cl 19407846 FBOXLYUMUCAYRF-UHFFFAOYSA-N 229.663 2.468 0 40 BEAB CCN(CC)CCNCc1ccccc1C 19919162 RNZZHANTVNKISX-UHFFFAOYSA-N 220.360 2.426 0 40 BEAB COc1ccc([C@@H](C)NC(=O)C2CC2)cc1 19935135 WDILXILTPUTBKD-SECBINFHSA-N 219.284 2.282 0 40 BEAB CC[C@@H](C)c1nc(Cl)nn1-c1ncccn1 22125970 APUBKWAPUIULMZ-SSDOTTSWSA-N 237.694 2.224 0 40 BEAB O=C(C[C@H]1C=CCC1)Nc1nnc2ccccn12 30712417 LBGULGGVOZKMHB-JTQLQIEISA-N 242.282 2.024 0 40 BEAB Cc1cc(N)c(I)cc1C 34213068 ZAVYUORHSOSKGS-UHFFFAOYSA-N 247.079 2.490 0 40 BEAB CCCNCc1cnn(Cc2ccccc2)c1 35113636 CTZUJHFPQOBVFT-UHFFFAOYSA-N 229.327 2.431 0 40 BEAB FC(F)(F)c1ccc(-n2cccn2)nc1 35728274 CSMJMKMKDZKFQA-UHFFFAOYSA-N 213.162 2.286 0 40 BEAB in-vitro COCc1ccccc1CNc1cnccn1 37501511 WQRCIKYIIMLWJJ-UHFFFAOYSA-N 229.283 2.235 0 40 BEAB Cc1noc(NC(=O)c2ccc(Cl)cc2)n1 42702698 KAIQYLXXTYUCEP-UHFFFAOYSA-N 237.646 2.284 0 40 BEAB NCC1CCN(Cc2ccc(F)c(F)c2)CC1 44511908 XCMGSDDQOJHLMS-UHFFFAOYSA-N 240.297 2.136 0 40 BEAB COC(=O)CCN(C)Cc1sccc1C 48334016 NFZUGTLWKGJINZ-UHFFFAOYSA-N 227.329 2.051 0 40 BEAB Fc1cccc(COC[C@H]2CCCN2)c1 51816230 KOZVQIGMQPYXST-GFCCVEGCSA-N 209.264 2.094 0 40 BEAB O[C@H](Cc1ccc(F)cc1)C(F)(F)F 61893941 NNHSNLBBGIBVDH-MRVPVSSYSA-N 208.154 2.291 0 40 BEAB in-vitro CC(C)CS(=O)(=O)N1CCc2ccccc21 66575117 MIVGYMXGUVHMFX-UHFFFAOYSA-N 239.340 2.035 0 40 BEAB C[C@@H](Cn1ccc(N)n1)c1ccccc1 71978671 QGMBINQJGLSADF-JTQLQIEISA-N 201.273 2.269 0 40 BEAB COc1ccc([C@H]2CCCCN2C(C)=O)cn1 72211697 ZJXAOALAGZHBRK-GFCCVEGCSA-N 234.299 2.164 0 40 BEAB CC(=O)N1CCC[C@@H]1c1ccc[nH]c1=S 72217054 RKQCLCNOEIFXIB-SNVBAGLBSA-N 222.313 2.428 0 40 BEAB Cc1cc(N)nc(N2CCc3ccccc32)n1 74934127 GILLJZGUIUZULN-UHFFFAOYSA-N 226.283 2.061 0 40 BEAB C[C@H](C(=O)O)N(C)c1ccc(Cl)cc1 77921256 NRKZLIIOFUCFIY-SSDOTTSWSA-N 213.664 2.249 0 40 BEAB CC(C)N(C(=O)c1ccccn1)C1CCOCC1 78182369 BLNQAXQYMYPDDW-UHFFFAOYSA-N 248.326 2.111 0 40 BEAB O=C(O)[C@H]1CCN(c2ccccc2Cl)C1 84499327 FPGYADRKFPWWLU-QMMMGPOBSA-N 225.675 2.251 0 40 BEAB in-vitro O=C1C[C@H](C(=O)O)[C@@H](c2ccccc2Cl)O1 85394737 NFZQACJEHJLFGG-OIBJUYFYSA-N 240.642 2.029 0 40 BEAB Cc1cccc2c1CCN2C(=O)[C@H]1CCCOC1 89688967 ZCHXRZMFKZPDSA-LBPRGKRZSA-N 245.322 2.311 0 40 BEAB CC(C)Cn1cc(Cl)nc(Cl)c1=O 95096574 CQPCSXLXJLMRTF-UHFFFAOYSA-N 221.087 2.206 0 40 BEAB COCc1nc(C)cc(N2C[C@@H]3CCC[C@H]3C2)n1 95410696 DEHDEWPPFROMEB-RYUDHWBXSA-N 247.342 2.168 0 40 BEAB COc1cc(CC(C)(C)O)cc(F)c1F 95729130 XOBZFVAFCHHILK-UHFFFAOYSA-N 216.227 2.287 0 40 BEAB O=C(O)c1c(O)cccc1C(F)(F)F 95775374 WFRWCWJAKXBJCK-UHFFFAOYSA-N 206.119 2.109 0 40 BEAB CC[C@](CNC(=O)OC)(OC)c1ccccc1 96123675 ZMIQNLCVRNTZHP-CYBMUJFWSA-N 237.299 2.294 0 40 BEAB CN(C)C(=O)CCNCC1(C)CCCCCC1 97054712 RTHQMWPXIPTFQF-UHFFFAOYSA-N 240.391 2.415 0 40 BEAB CCOCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105700106 IASYSTSDVCGLNU-AVGNSLFASA-N 239.359 2.356 0 40 BEAB Clc1ncc(N2CCCC2)c(Cl)n1 113466061 ZBPHIYSQYWIVJN-UHFFFAOYSA-N 218.087 2.384 0 40 BEAB CN1C[C@@H](C(=O)O)[C@@H](c2cccc(Cl)c2)C1 217039347 LYKVXZWRFQNWBF-GHMZBOCLSA-N 239.702 2.070 0 40 BEAB CCOC(=O)Cc1cnc(C(C)C)s1 217608192 RBOPODWTJWDBPX-UHFFFAOYSA-N 213.302 2.372 0 40 BEAB CCn1ncc(CNCCc2ccccc2)c1F 256054654 XFCCWVNOGZJLCD-UHFFFAOYSA-N 247.317 2.374 0 40 BEAB CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1 341098856 YHEVBQHSLWFNTK-CYBMUJFWSA-N 248.326 2.176 0 40 BEAB CC(C)(C)Nc1ncnc2cnccc12 1565520387 QKKFXUZATPHKKG-UHFFFAOYSA-N 202.261 2.235 0 40 BEAB Cc1ncn(-c2cccc3cccnc23)n1 2362803593 NSJJAYIENRWJGL-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB Cc1ccc(NC(=S)NC(=O)C(C)C)cc1 440067 VZFYUBHJQXCEHU-UHFFFAOYSA-N 236.340 2.464 0 40 BEAB COc1cccc(OC)c1/C=C/C(=O)NC(C)C 574303 HJSUTFJSDZTFJD-CMDGGOBGSA-N 249.310 2.242 0 40 BEAB O=C(O)CC[C@H](CC(=O)O)c1ccccc1 1715996 FVQKPAFDGMJTDG-SNVBAGLBSA-N 222.240 2.110 0 40 BEAB O=C(O)[C@H](c1ccccc1)[C@@H](O)C1CCCC1 1746937 WATXZLVPCPBXBW-OLZOCXBDSA-N 234.295 2.406 0 40 BEAB O=C1N[C@H](c2ccccc2)Cc2ccncc21 2036392 GIILRFOFEZTAPQ-ZDUSSCGKSA-N 224.263 2.109 0 40 BEAB biogenic CCOc1ccc(CC(C)=O)cc1OC 2518666 ADHCSWSBGUURFV-UHFFFAOYSA-N 208.257 2.225 0 40 BEAB CCn1nccc1CNC(=O)c1ccccc1C 2796443 DSTVVCSMKWJVDE-UHFFFAOYSA-N 243.310 2.141 0 40 BEAB COc1ccc(OCCn2cccc2C=O)cc1 6674231 QFVKALHFMKIHDU-UHFFFAOYSA-N 245.278 2.388 0 40 BEAB COc1ccc([C@H](C(=O)O)N2CCCCC2)cc1 8699013 CBMNAADKSPPWGJ-CYBMUJFWSA-N 249.310 2.307 0 40 BEAB Cc1ccc(NC(=O)c2cnsn2)cc1 12289025 NLQMDUZTEWEZIF-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB CCOC(=O)CN1CCCc2ccccc21 14217311 ZCBQGBGXIARHHN-UHFFFAOYSA-N 219.284 2.002 0 40 BEAB Nc1nc2ccccc2n1NCc1ccccc1 16677424 HWUHBQMKVOJTGP-UHFFFAOYSA-N 238.294 2.362 0 40 BEAB CCOc1ccc(C(=O)N2CCCCC2)cc1N 20155597 YYIPSYQWRNDAMO-UHFFFAOYSA-N 248.326 2.294 0 40 BEAB in-vitro O=C(O)CCCCOCc1ccccc1 20474373 MXXWSDBAURXMNQ-UHFFFAOYSA-N 208.257 2.458 0 40 BEAB in-vitro CCc1cc(C(=O)O)c([S@@](=O)CC)s1 22015049 ZWRBVDWVNPXOLL-CQSZACIVSA-N 232.326 2.136 0 40 BEAB O=C(NCCc1ccccn1)Nc1ccccc1 24367110 SZOPTIPQFBEPSR-UHFFFAOYSA-N 241.294 2.446 0 40 BEAB CC(C)SCc1cc(=O)[nH]c(=S)[nH]1 31773411 HSNBEGKWTRZLMM-UHFFFAOYSA-N 216.331 2.074 0 40 BEAB in-vitro CC(C)[C@H](/C=C/C(=O)O)NC(=O)OC(C)(C)C 33841121 BVQSSXQBPIIKLG-UCUJLANTSA-N 243.303 2.177 0 40 BEAB O=C(O)c1cc2c(nc3ccccn32)s1 34873173 DZJHCXAWQGHBST-UHFFFAOYSA-N 218.237 2.247 0 40 BEAB in-vitro CCc1noc(CN2CCCC[C@@H]2C)n1 40489583 ZFVKGLHVMRKEHF-VIFPVBQESA-N 209.293 2.006 0 40 BEAB Cc1ccc(C)c(C(=O)N2CCSCC2)c1 40542048 QLLPHAPCCOFEHV-UHFFFAOYSA-N 235.352 2.492 0 40 BEAB C[C@@H]1CN(c2ncnc3ccccc23)C[C@@H](C)O1 41476133 NONTWCXZCNNCBF-GHMZBOCLSA-N 243.310 2.243 0 40 BEAB COCC(=O)c1cc(Cl)ccc1OC 43504743 PSOKBNGNWKGBDS-UHFFFAOYSA-N 214.648 2.178 0 40 BEAB CC[C@H]1CCCCN1C(=O)CSCCOC 44911677 LDPJHXACOPFBIS-NSHDSACASA-N 245.388 2.157 0 40 BEAB COc1ccc(Nc2cc(N)nc(C)n2)cc1 49467300 IRYYVBDIEHPLTH-UHFFFAOYSA-N 230.271 2.119 0 40 BEAB C[C@@H]1CCN(C(=O)CC2CCNCC2)[C@H](C)C1 51733045 GRJZMVUAYWFWBV-VXGBXAGGSA-N 238.375 2.023 0 40 BEAB COc1cccc([C@@H]2CCCN2CCCO)c1 54668676 KERGVFFBWMRXRD-AWEZNQCLSA-N 235.327 2.215 0 40 BEAB CC(C)Cc1cc(NC(=O)c2ccc[nH]2)n(C)n1 64524702 LDGUCEIETHARHS-UHFFFAOYSA-N 246.314 2.199 0 40 BEAB O=CNc1ccc(C(=O)c2ccccc2)cc1 66351883 GZYCXHGYHAJFKD-UHFFFAOYSA-N 225.247 2.486 0 40 BEAB O=C(O[C@H]1CCOC1)c1ccc(Cl)cc1 71883887 DHJDUNRDTGSXLY-JTQLQIEISA-N 226.659 2.286 0 40 BEAB c1cnc(N2CCCC2)c(C2=NCCC2)c1 72215963 DKTGJZHGTJMQTJ-UHFFFAOYSA-N 215.300 2.265 0 40 BEAB CC(=O)N1CCC[C@@H](c2ccc(C)cn2)C1 72381443 VFGAFQRKMYGPEE-GFCCVEGCSA-N 218.300 2.116 0 40 BEAB O=C(NCC[C@H](O)C1CC1)Nc1cccs1 77108648 FTRBMBDRQHJKMD-VIFPVBQESA-N 240.328 2.031 0 40 BEAB C[C@@H]1COc2ccccc2N1Cc1ccno1 78950523 QQDUYUJFASIVLF-SNVBAGLBSA-N 230.267 2.462 0 40 BEAB COc1cc2cc(C=O)c(OC)nc2cc1OC 82310810 UYMQDQMVBUHJSH-UHFFFAOYSA-N 247.250 2.073 0 40 BEAB COC(=O)c1cc2cc(F)c(OC)cc2[nH]1 85224928 PWMIPARPMLHREY-UHFFFAOYSA-N 223.203 2.102 0 40 BEAB O=C(O)Cc1coc2c(F)c(F)ccc12 87968463 XZUDFNHLYCJFQJ-UHFFFAOYSA-N 212.151 2.338 0 40 BEAB CN1CCC2(CC1)CN(C)c1ccc(F)cc12 96261808 CZEFTRWYXKEQQV-UHFFFAOYSA-N 234.318 2.239 0 40 BEAB Cc1nc(C)c(C)c(N2CC[C@]3(CCOC3)C2)n1 96474601 MFZXHGNGWMJJSX-AWEZNQCLSA-N 247.342 2.019 0 40 BEAB COCCOc1c(C(=O)O)oc2ccccc12 96510809 JPILITMCAJNZIV-UHFFFAOYSA-N 236.223 2.156 0 40 BEAB Cc1nccc(N2C[C@H]3CC=CC[C@H]3C2)n1 97212660 YCZQDJZEXXTTIG-TXEJJXNPSA-N 215.300 2.187 0 40 BEAB OC[C@@H]1CCCC[C@@H]1NC1CCSCC1 98012725 VGQKLIAGKJEWBB-JQWIXIFHSA-N 229.389 2.023 0 40 BEAB CC(=O)Nc1ccc(F)cc1NC1CC1 98019319 GAWRDFRPMUQQKA-UHFFFAOYSA-N 208.236 2.358 0 40 BEAB CCC(=O)n1cc(C(=O)O)c2ccccc21 98124028 QVNVIKCUTVOBOE-UHFFFAOYSA-N 217.224 2.390 0 40 BEAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101538774 VKQOAGZLAPUKRD-RAIGVLPGSA-N 230.311 2.134 0 40 BEAB CCOC[C@@H](C)OC(=O)c1sc(C)nc1C 190724036 YCTBCNLNEUABBU-SSDOTTSWSA-N 243.328 2.342 0 40 BEAB CN(C)CC(=O)Nc1ccc(C2CC2)c(F)c1 195580106 PTGKEIQQFDDCNG-UHFFFAOYSA-N 236.290 2.203 0 40 BEAB Cc1cc(Br)c(F)cc1CO 238457625 DQQASWNAXLCGPT-UHFFFAOYSA-N 219.053 2.389 0 40 BEAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C)C[C@@H]21 257300578 RUWAJSXSGADPHK-MBNYWOFBSA-N 232.327 2.109 0 40 BEAB c1ccc(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1 536948293 WBDUGCMYPUIWLB-XUWVNRHRSA-N 242.366 2.116 0 40 BEAB O[C@@H](c1ccc(-n2cccn2)cc1)C(F)(F)F 1536151673 CMWOVCGHHAXMLQ-JTQLQIEISA-N 242.200 2.468 0 40 BEAB N[C@@H]1C=C[C@H](N2CCCC2)c2ccccc21 1772820964 QFSJZKNBLJXWDF-KGLIPLIRSA-N 214.312 2.393 0 40 BEAB CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1N 1857775525 FFRPJFQKQOMTIH-LLVKDONJSA-N 234.299 2.269 0 40 BEAB O=C(c1cc(F)ccc1Cl)n1cccn1 37164 MXSDGUYIACTDJJ-UHFFFAOYSA-N 224.622 2.364 0 40 BEAB Cc1ccc(Oc2ncccc2C(N)=O)cc1 131999 UDPIXPRXGOYJKB-UHFFFAOYSA-N 228.251 2.281 0 40 BEAB O=C1Nc2ccc(F)cc2C(=O)C1(Cl)Cl 344010 YJWFJDUBBUMZJK-UHFFFAOYSA-N 248.040 2.134 0 40 BEAB Cc1nnc(NC(=O)c2ccccc2F)s1 366757 VOCGBNQZWSARTO-UHFFFAOYSA-N 237.259 2.238 0 40 BEAB COc1ccc([C@H]2N[C@H]2c2ccccn2)cc1 1611071 VATZVHGGTGXNAX-KGLIPLIRSA-N 226.279 2.476 0 40 BEAB C[C@@H]1c2ccccc2C(=O)C[C@@H]1C(=O)O 1712798 WRZNZBDUIVUZNV-XCBNKYQSSA-N 204.225 2.077 0 40 BEAB O=C(c1nnc(-c2ccccc2)o1)C1CC1 3346692 FAYSWSKOQYQXTC-UHFFFAOYSA-N 214.224 2.329 0 40 BEAB CCCC[C@H](CC)CNC(=O)[C@@H]1CCCO1 5467707 BALJFIJZWAYPQU-RYUDHWBXSA-N 227.348 2.498 0 40 BEAB CC[C@H](NC(=O)c1cnccn1)c1ccccc1 5953951 QVUMNVNUUBWIEG-LBPRGKRZSA-N 241.294 2.358 0 40 BEAB COC(=O)[C@H]1Cc2cc3c(cc2C1=O)CCCC3 6003295 YEQUBSPQHUNXLU-ZDUSSCGKSA-N 244.290 2.093 0 40 BEAB C/C(=C\C(=O)Nc1ccccn1)N1CCCC1 6237848 LBQSDKFTCXJQNP-ZHACJKMWSA-N 231.299 2.020 0 40 BEAB S=C(NCc1ccccc1Cl)NC1CC1 6332822 RFPOKBCNFMEERW-UHFFFAOYSA-N 240.759 2.467 0 40 BEAB C[C@@H](O)CNC(=O)Nc1cccc2ccccc12 11004479 QFZNMLQVZUJASV-SNVBAGLBSA-N 244.294 2.342 0 40 BEAB Cc1cc2c(nc1C)sc1c(=O)n(C)cnc12 13720516 AIWRUZGRKSQXMG-UHFFFAOYSA-N 245.307 2.160 0 40 BEAB Cc1ccc(F)c(NC(=O)c2cnn(C)c2)c1 15604325 FVLZXVOZTGFFGA-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB CC(C)c1ccc([C@H](CN)N2CCOCC2)cc1 19796056 SYGSUGSNNBDIRF-HNNXBMFYSA-N 248.370 2.142 0 40 BEAB O=C(O)Cc1cccc(NC(=O)c2ccco2)c1 20226909 FBGRUBXCKHGRMJ-UHFFFAOYSA-N 245.234 2.159 0 40 BEAB Cc1cccc(OC[C@H](O)CNC(C)C)c1C 26780468 YDNBUDLNDAAOEH-CYBMUJFWSA-N 237.343 2.041 0 40 BEAB COCCNCc1ccccc1OCC(C)C 33466299 JJPFAKKPPHOGGB-UHFFFAOYSA-N 237.343 2.457 0 40 BEAB Cc1cccc(Cn2cc(C)c(N)n2)c1 35655705 OPYGTLYBNGENCM-UHFFFAOYSA-N 201.273 2.130 0 40 BEAB CC(C)c1ccc([C@H](CN)CC(=O)O)cc1 36258723 UUAKZTNGLZQOEB-LBPRGKRZSA-N 221.300 2.327 0 40 BEAB O=C(/C=C/c1cccnc1)Nc1ccncc1 36394617 DJSBVJPSGLNANG-ONEGZZNKSA-N 225.251 2.129 0 40 BEAB CCc1ccc(-c2cc(N)n(C)n2)cc1 36938234 UFGGNKVJELYZMZ-UHFFFAOYSA-N 201.273 2.232 0 40 BEAB CN[C@@H](CO)c1cccc(Cl)c1Cl 38121195 JISNQROLVLKLTG-QMMMGPOBSA-N 220.099 2.246 0 40 BEAB O=C(NCc1ccoc1)Nc1nccs1 40540066 VLSQHLFYAUNVDG-UHFFFAOYSA-N 223.257 2.058 0 40 BEAB Cc1ccsc1CNCCn1cccn1 42351711 UYKXHSIRTGSBDM-UHFFFAOYSA-N 221.329 2.043 0 40 BEAB N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 42580675 OBGZFVWPRYVPRE-SSDOTTSWSA-N 214.671 2.017 0 40 BEAB COc1cc(C)c(/C=C/C(=O)O)c(OC)c1 44201276 KWQQISCSSAVQGQ-SNAWJCMRSA-N 222.240 2.110 0 40 BEAB OC[C@@H]1CCCN1c1cccc(C(F)(F)F)n1 44272032 KCXQKBGDCIUTTD-QMMMGPOBSA-N 246.232 2.062 0 40 BEAB CCOC(=O)[C@@H](C#N)c1ccc(OC)c(F)c1 49828428 RUVPAFDZMNWPSQ-VIFPVBQESA-N 237.230 2.005 0 40 BEAB Cc1cc(C)nc(SCC2CCNCC2)n1 51608124 VKWIXSWDDOYSMJ-UHFFFAOYSA-N 237.372 2.185 0 40 BEAB N=C(NCC[C@H]1CCCO1)Nc1ccccc1 52047802 VLAUYBVHKJZKQB-GFCCVEGCSA-N 233.315 2.192 0 40 BEAB CCC(=O)c1cc(CCOC)ccc1O 52068515 RXTCBPDUFIPLEZ-UHFFFAOYSA-N 208.257 2.174 0 40 BEAB O=C(O)c1ccc(O)c(Cl)c1Cl 62721046 MWQVQEFJAIFHFZ-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB CN1CCC[C@@H](Cc2nccnc2Cl)CC1 72343825 VYLMKMITNSQVIS-SNVBAGLBSA-N 239.750 2.404 0 40 BEAB O=C([C@@H]1CCCN1)N1CCC[C@]2(CC=CCC2)C1 76091294 RNEASRJLUAQTHY-DZGCQCFKSA-N 248.370 2.087 0 40 BEAB CNc1nc2cc(Br)ccc2[nH]1 82740686 DFRSYVJABDOPAN-UHFFFAOYSA-N 226.077 2.367 0 40 BEAB COc1n[nH]c2c(Br)cccc12 84311234 VYHUQVBJZHAXKC-UHFFFAOYSA-N 227.061 2.334 0 40 BEAB in-vitro O=C(O)c1nc(N2CCCC2)sc1Cl 85396891 YZUFFLNZAXEIAI-UHFFFAOYSA-N 232.692 2.095 0 40 BEAB CCC[C@@H]1C[C@@H]1Nc1cn[nH]c(=O)c1Cl 95404372 YKRUPRJIPZPYDD-RQJHMYQMSA-N 227.695 2.024 0 40 BEAB CC(=O)O[C@H](C)C(F)(F)[C@H](F)C(F)(F)F 95864325 CBTVHNOBDMIRTL-WUJLRWPWSA-N 238.127 2.474 0 40 BEAB C1CC(CN2CCC3(CC2)CC3)CCO1 96078087 WBPYLZQAGZDQRT-UHFFFAOYSA-N 209.333 2.289 0 40 BEAB CN(CCCC(=O)O)C(=O)CC1=CCCCC1 96320086 QRRVQLBWSSNSCX-UHFFFAOYSA-N 239.315 2.200 0 40 BEAB CCCC(=O)N[C@@H](C)CNc1ccccc1 96475438 JPBWHNJEUKFZTM-NSHDSACASA-N 220.316 2.403 0 40 BEAB CS(=O)(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 96510125 IRZSJLFMXFSOGV-UWVGGRQHSA-N 230.716 2.241 0 40 BEAB COC(=O)c1cc(OC)c(Cl)s1 96510782 XLMLDTWVUKVODM-UHFFFAOYSA-N 206.650 2.197 0 40 BEAB Cc1ccccc1[C@]1(C(=O)O)CC1(F)F 96515570 QVTBCRXPYSTGEY-JTQLQIEISA-N 212.195 2.356 0 40 BEAB C/C=C(\C)C(=O)N[C@H](CCCCC)C(=O)O 97036362 AVPKRTJGAIGVDG-NAZIUFLLSA-N 227.304 2.102 0 40 BEAB CC(C)Cn1cc(N[C@@H]2CCSC2)cn1 97038665 URUWLMPTBMWGJG-SNVBAGLBSA-N 225.361 2.457 0 40 BEAB CC(C)OCCCc1nc(C2CC2)no1 97085361 WMIAZXDZFVJJIW-UHFFFAOYSA-N 210.277 2.305 0 40 BEAB COC[C@@H](NCc1ncccc1C)c1ccco1 97238400 ATRUQMWCMGHICT-CYBMUJFWSA-N 246.310 2.460 0 40 BEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCO)C1 149647121 MCKPDOKMSMTHGK-NXEZZACHSA-N 229.320 2.062 0 40 BEAB C[C@@H]1CSC(SCc2nccn2C)=N1 155541676 ZQXDSPAEPBQVKU-SSDOTTSWSA-N 227.358 2.145 0 40 BEAB NNc1cccc(C(Cl)(Cl)Cl)n1 199546499 IIIRBSFYVRXILV-UHFFFAOYSA-N 226.494 2.194 0 40 BEAB CCOC(=O)[C@@H]1CNc2c(C)cccc2C1 217524846 TVIZTVFLSACDBB-NSHDSACASA-N 219.284 2.142 0 40 BEAB COC1(C(F)(F)F)CCC(CO)CC1 220171150 UJSMJATYAKBQPW-UHFFFAOYSA-N 212.211 2.116 0 40 BEAB C[S@@](=N)(=O)c1cccc(Br)c1 238856597 WJVBEFFLTYIYPW-LLVKDONJSA-N 234.118 2.485 0 40 BEAB Cc1nccc([C@@H]2CN(C3CCCC3)CCO2)n1 257304249 SKSURSFCXCXWQE-AWEZNQCLSA-N 247.342 2.101 0 40 BEAB CC(C)COCc1ccnn1C(F)F 408716703 PXZREFNKYZCGPG-UHFFFAOYSA-N 204.220 2.451 0 40 BEAB O=C(c1onc2c1CCCC2)N1C2CCC1CC2 585384538 ZTXLECSCLJHOMZ-UHFFFAOYSA-N 246.310 2.320 0 40 BEAB CC(C)Cc1cc(N2CC[C@@H]2C)ncn1 865464981 QQGJHTFGFKQHDS-JTQLQIEISA-N 205.305 2.274 0 40 BEAB CCn1cncc1COC(=O)[C@H]1CC[C@H](C)C1 1518049742 XFBHOOKGPKPGSZ-QWRGUYRKSA-N 236.315 2.382 0 40 BEAB CC(C)CC(=O)Nc1ccc2c(c1)OCO2 362344 KIDPNGVWTSQGEH-UHFFFAOYSA-N 221.256 2.400 0 40 BEAB CCC(=O)Nc1ccc2c(c1)nc(C)n2C 550926 SYEMVBXKNDPXET-UHFFFAOYSA-N 217.272 2.230 0 40 BEAB O=C1O[C@H]([C@H]2CCCCC2=O)C(Cl)=C1Cl 1028787 BVTPNHNQOIOZQK-SSDLBLMSSA-N 249.093 2.360 0 40 BEAB CCC[C@@H]([C@H](CC)CN(C)C)N(C)C 1662276 SJLKSOZBYOLBNB-NEPJUHHUSA-N 200.370 2.305 0 40 BEAB Cc1nn(C)c(C)c1C(=O)NC1CCC(C)CC1 2782590 QVBPMGSYMCMGKT-UHFFFAOYSA-N 249.358 2.345 0 40 BEAB Cc1ccc(-c2cc(=O)n3cnnc3s2)cc1 4751704 YKQQMUNNHSCLKM-UHFFFAOYSA-N 243.291 2.126 0 40 BEAB O=C(Nc1nccs1)c1cc(Cl)ccn1 5798209 ZFNFLIUSQCZBFO-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB CC(C)(N[C@H]1C=Cc2ccccc21)C(=O)O 8730715 FVXZTTAHKRDTIN-NSHDSACASA-N 217.268 2.207 0 40 BEAB O=C(Nc1ccccc1Cl)c1csnn1 11914758 NUJOIVVDMRGXCF-UHFFFAOYSA-N 239.687 2.444 0 40 BEAB Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2 12803932 ZFSVZZUTELKOKO-RNFRBKRXSA-N 219.210 2.499 0 40 BEAB NCc1ccc(NC(=O)Cc2cccs2)cc1 20224339 GCAKGIIHJHZICG-UHFFFAOYSA-N 246.335 2.388 0 40 BEAB C[C@@H]1CCCCN1CCCNCc1cccn1C 20360526 ZXNLKLBYQFBZQB-CQSZACIVSA-N 249.402 2.379 0 40 BEAB CCn1cc(CN(C)C(=O)CC(C)(C)C)cn1 32648317 PASVWGKOSSYPIE-UHFFFAOYSA-N 237.347 2.298 0 40 BEAB CC[C@@H](C(=O)N1CCC(O)CC1)c1ccccc1 32732159 GQWWAPWXFCXPEI-CQSZACIVSA-N 247.338 2.164 0 40 BEAB Cc1c(OCc2ccccc2)c(=O)ccn1C 34412451 ACWNQYIVOPCVIE-UHFFFAOYSA-N 229.279 2.273 0 40 BEAB CSc1n[nH]c2nc(Cl)nc(Cl)c12 35269917 OTUMETGAACPORE-UHFFFAOYSA-N 235.099 2.382 0 40 BEAB in-vitro Cc1cccc2c(S(=O)(=O)O)cccc12 35565116 BATOZQRGECFVTF-UHFFFAOYSA-N 222.265 2.395 0 40 BEAB CC[C@@](N)(C(=O)OC)c1ccc(Cl)cc1 37459608 RDTRIOBNZFXHES-NSHDSACASA-N 227.691 2.077 0 40 BEAB Nc1cccc(-c2ccc3c(c2)CCO3)n1 38069359 MKFSVXHOIRWNFF-UHFFFAOYSA-N 212.252 2.266 0 40 BEAB in-vitro Cn1ccc(C(=O)O)c1-c1ccccc1 39104965 KPTMLRRGBKWXAB-UHFFFAOYSA-N 201.225 2.390 0 40 BEAB in-vitro CCc1ccc(C(=O)Nc2cc(C)nn2C)o1 40087250 DCXXGWZWCCXYPS-UHFFFAOYSA-N 233.271 2.136 0 40 BEAB CCO[C@H](CN)c1ccc(Br)cc1 42956411 KOHMHCBVMUCCJN-SNVBAGLBSA-N 244.132 2.485 0 40 BEAB OCCCc1cc(Br)cs1 44396173 MAVFGAAOZDCELC-UHFFFAOYSA-N 221.119 2.436 0 40 BEAB in-vitro CC[C@H](C)NC(=O)Nc1cccnc1OC 48290669 ANGMRNWYYUAEDL-QMMMGPOBSA-N 223.276 2.010 0 40 BEAB Oc1cccc(OCCOCC(F)(F)F)c1 49311445 KLJQIKZUUBGQPB-UHFFFAOYSA-N 236.189 2.350 0 40 BEAB CO[C@H](CN)c1ccc2ccccc2c1 62711408 DGOLESSIGARASK-CYBMUJFWSA-N 201.269 2.486 0 40 BEAB CC[C@]12OCCN1C[C@H](c1ccccc1)O2 71788892 JOPJKJFVMPDVNI-CHWSQXEVSA-N 219.284 2.154 0 40 BEAB CC(C)(C)OC(=O)N1CCNC[C@@H]1C(C)(C)C 71863777 OYUQSTKTENQARL-SNVBAGLBSA-N 242.363 2.241 0 40 BEAB CC(C)C(=O)CNC(=O)OCc1ccccc1 72206827 IVRBMFNONWRESO-UHFFFAOYSA-N 235.283 2.138 0 40 BEAB Cc1cccc(Nc2cc(=O)[nH]c(=S)[nH]2)c1 72226404 JPLBPDNBRPXKFL-UHFFFAOYSA-N 233.296 2.485 0 40 BEAB CNC(=O)c1cc(C(C)C)c(OC)cc1C 75852477 WTTYWZQUBRHYPR-UHFFFAOYSA-N 221.300 2.487 0 40 BEAB COC[C@@H](C)NC(=O)N1C[C@H](C)c2ccccc21 79115524 FPTWLSMDSHDHRM-WDEREUQCSA-N 248.326 2.355 0 40 BEAB COc1ccc(NC(=O)CC2CCOCC2)cc1 82325945 YXZMPFVZQLRKGP-UHFFFAOYSA-N 249.310 2.450 0 40 BEAB CCOC(=O)Cc1csc(C2CC2)n1 87664941 YHBDVRKYHAQYND-UHFFFAOYSA-N 211.286 2.126 0 40 BEAB in-vitro C[C@H](C[C@H](O)c1cccs1)Nc1ncccn1 95973067 BOMTZTYGZXMGKJ-ZJUUUORDSA-N 249.339 2.462 0 40 BEAB CCc1nn(C)cc1CN(C)C[C@H](C)CC 95986583 IGWLSKDVFZDZBP-LLVKDONJSA-N 223.364 2.460 0 40 BEAB CCc1noc([C@H](C)Nc2cnn(CC)c2)n1 97139942 BDOIKVSINVPELC-QMMMGPOBSA-N 235.291 2.022 0 40 BEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1 104236732 BJAKPGOJIDRMHT-GUBZILKMSA-N 205.257 2.198 0 40 BEAB OCc1cc(O)cc(OCc2ccccc2)c1 140252999 ATTWAUDUQUGENC-UHFFFAOYSA-N 230.263 2.464 0 40 BEAB in-vitro CC(C)OCc1nn(C)cc1Br 146728166 LYTDGQQLRQBCLN-UHFFFAOYSA-N 233.109 2.108 0 40 BEAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@H](O)C1 191046634 FOLWJPWTGNESSN-YNEHKIRRSA-N 209.333 2.045 0 40 BEAB c1ccc(-n2cnnc2NCc2ccco2)cc1 191584359 YUNGLLOOOSIKNR-UHFFFAOYSA-N 240.266 2.472 0 40 BEAB NC1c2cc(O)ccc2-c2ccc(O)cc21 225746927 MCLZMAPCAPIOIJ-UHFFFAOYSA-N 213.236 2.126 0 40 BEAB CCCNC(=O)c1cn(-c2ccc(C)cc2)cn1 226754433 SQUYLEVHKIAYBK-UHFFFAOYSA-N 243.310 2.321 0 40 BEAB O=C1c2ccccc2CN1Cc1ccco1 256054323 VWDIUBYPKXHOSK-UHFFFAOYSA-N 213.236 2.436 0 40 BEAB CC[C@H](C(=O)O)n1nc(C(F)F)cc1C 408717341 YPUSQWRTDQDIQW-SSDOTTSWSA-N 218.203 2.165 0 40 BEAB Cc1ccc(C(=O)N2C[C@H]3C[C@H]2CS3)s1 575609031 XMDJCSXJGLCTEQ-DTWKUNHWSA-N 239.365 2.386 0 40 BEAB O[C@@H]1CC[C@H]1Oc1ccc2cccnc2c1 704044737 UEDOSDYCWDNSSG-CHWSQXEVSA-N 215.252 2.137 0 40 BEAB COC(=O)/C=C/Oc1cccc(F)c1F 1772714896 BYCQLPPZSRZGRB-AATRIKPKSA-N 214.167 2.030 0 40 BEAB Fc1cccnc1N1CC(C(F)(F)F)C1 2298041254 PJQFCJZRZYQELS-UHFFFAOYSA-N 220.169 2.219 0 40 BEAB Cc1nc2cc(Br)cnc2nc1C 39795 IRLVCCGMUBJXJZ-UHFFFAOYSA-N 238.088 2.404 0 40 BEAB CC(C)CN1C(=S)SC(C)(C)[C@@H]1NO 1509749 YGVPGOVHHJSCRA-SSDOTTSWSA-N 234.390 2.060 0 40 BEAB O=c1cccc(C(Cl)(Cl)Cl)o1 1608232 RBDWKHHAURXZCV-UHFFFAOYSA-N 213.447 2.467 0 40 BEAB CCOC(=O)[C@H](O)[C@@](C)(Cl)c1ccccc1 1716215 XZBUTDNPQYQZJL-JQWIXIFHSA-N 242.702 2.065 0 40 BEAB OC[C@]12CC=CC[C@H]1[C@H]1CC=CC[C@H]1O2 4896166 ABOOKWDZMHACDA-YVECIDJPSA-N 206.285 2.049 0 40 BEAB Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 5341694 YBBARMHTNXAKPL-CQSZACIVSA-N 249.354 2.221 0 40 BEAB C[C@@H](CCc1ccco1)N(C)C(=O)N(C)C 5557432 VDZGFEAVYDLUOC-JTQLQIEISA-N 224.304 2.214 0 40 BEAB Nc1nnc(-c2cccc(C(F)(F)F)c2)o1 5785021 SFKXKVUEXCFQLZ-UHFFFAOYSA-N 229.161 2.338 0 40 BEAB in-vitro Cc1ccc(C)c(Cc2nnc(N)s2)c1 9286987 ISTDJYJCGBJSDZ-UHFFFAOYSA-N 219.313 2.328 0 40 BEAB COC(=O)c1cnn(Cc2ccc(C)cc2)c1 12396480 OPKLNBQFWHDZJC-UHFFFAOYSA-N 230.267 2.026 0 40 BEAB O=C(Nc1ccccn1)c1n[nH]c2ccccc12 12525395 NGLBXLIGTUDSLS-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB COc1ccccc1[C@H](N)c1ccncc1 13519126 XIAWDYMLNMMWCK-CYBMUJFWSA-N 214.268 2.138 0 40 BEAB O=C([C@H]1CCCCN1)N1CCCc2ccccc21 19411024 VIPCHYPGWYYYJM-CYBMUJFWSA-N 244.338 2.108 0 40 BEAB NCCCNc1ncc(Cl)cc1Cl 19510505 FUDDLIZJYWXWGO-UHFFFAOYSA-N 220.103 2.149 0 40 BEAB CCOc1ccc(CC(=O)OC)cc1Cl 20134249 TVIBYVKFTIYIFN-UHFFFAOYSA-N 228.675 2.454 0 40 BEAB COc1cc(OC)cc([C@@H]2C[C@@H]2[C@@H](C)N)c1 20594410 SCBRMCDRXPTYCI-WQHBLYJGSA-N 221.300 2.155 0 40 BEAB Cc1ccsc1CNC(=O)c1cnn(C)c1C 26000967 WEBHUGCFDOZEEF-UHFFFAOYSA-N 249.339 2.028 0 40 BEAB NCCn1ccc2cc(Br)ccc21 32500125 HVTQSFBATNPZOO-UHFFFAOYSA-N 239.116 2.363 0 40 BEAB NCCc1cn2cc(Cl)cc(Cl)c2n1 36243546 FFXUOOFBIBVHDT-UHFFFAOYSA-N 230.098 2.142 0 40 BEAB Clc1cc(NCc2ccncc2)ncn1 36294474 KHHGCFDOIVUOTF-UHFFFAOYSA-N 220.663 2.137 0 40 BEAB CCC[C@](C)(N)C(=O)N[C@@H](C)c1ccccc1 37621100 BGSUQVLWKNOKQB-FZMZJTMJSA-N 234.343 2.381 0 40 BEAB in-vitro CC[C@]1(Cl)C(=O)c2cccc3c2N(CC3)C1=O 39123874 ATWTZIRCPQDPDO-ZDUSSCGKSA-N 249.697 2.160 0 40 BEAB CCc1ccc(C(=O)N2CCCCC2)o1 40510955 OJBIFLGIVWFAQX-UHFFFAOYSA-N 207.273 2.468 0 40 BEAB NCCNc1cccc(C(F)(F)F)c1 44831375 JWDNSYUPDYABFQ-UHFFFAOYSA-N 204.195 2.076 0 40 BEAB CNC(=O)COc1cc(C)ccc1C(C)C 47209542 WTDGEJBSLLPJRR-UHFFFAOYSA-N 221.300 2.243 0 40 BEAB Cc1cc(NC(=O)Cc2ccc(F)cc2)[nH]n1 48607474 ZSMDRCGYYKCMAJ-UHFFFAOYSA-N 233.246 2.038 0 40 BEAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c2[nH]ncc12 49479920 CUPMVDIXTJVYKA-BDAKNGLRSA-N 229.283 2.466 0 40 BEAB Nc1cc(-c2ccccc2)nn1C1CCOCC1 71792095 HSFTUDHAGGRBQA-UHFFFAOYSA-N 243.310 2.484 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C)c2ccc(F)cc21 81074408 UBFVARLRHWGQHG-KOLCDFICSA-N 248.301 2.265 0 40 BEAB Cc1n[nH]c(C(=O)Nc2ccccc2F)c1C 82324100 ZVXSILRHIMQHIO-UHFFFAOYSA-N 233.246 2.418 0 40 BEAB C[C@@H](Nc1ncccc1F)c1cnn(C)c1 84487647 ZIEWUFFAXUCSDT-MRVPVSSYSA-N 220.251 2.127 0 40 BEAB CCN1Cc2ccccc2[C@H](n2cccn2)C1 89977376 WPFILPZHKJFVAI-CQSZACIVSA-N 227.311 2.308 0 40 BEAB CC(C)=CCC[C@H](C)N[C@H](C)Cn1cncn1 95967509 JJUJHALAQQTGJS-QWHCGFSZSA-N 236.363 2.391 0 40 BEAB C[C@H]1CCCC[C@]1(CN)NC(=O)OC(C)(C)C 96102473 QNJPTRDSPLWFQA-GXFFZTMASA-N 242.363 2.419 0 40 BEAB COc1cccc([C@H](C)O[C@H]2CCNC2)c1 96529887 GUMLMPMDKMAAMN-GWCFXTLKSA-N 221.300 2.135 0 40 BEAB COc1cc(F)c(CO)cc1Br 97437815 IWNXTBZHKBZULK-UHFFFAOYSA-N 235.052 2.089 0 40 BEAB CCn1ccnc1CN1CCCC[C@H]1C 195513747 NFIIVWPXFDBKKX-LLVKDONJSA-N 207.321 2.277 0 40 BEAB COC(=O)C[C@@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 216481313 WHYSLOGCGQAEHL-MWODSPESSA-N 224.300 2.191 0 40 BEAB COC(=O)[C@@H]1CCC2(C1)SCCS2 217904357 VRAJNPCLTVXCQN-SSDOTTSWSA-N 218.343 2.136 0 40 BEAB CC(C)CS(=O)(=O)Nc1ccnc(Cl)c1 226511742 FNGWVOSIASTAER-UHFFFAOYSA-N 248.735 2.133 0 40 BEAB Cc1ccc2[nH]c(-c3ccc[n+](C)c3)nc2c1 226774475 WTINRSHORLCIOV-UHFFFAOYSA-N 224.287 2.363 0 40 BEAB CNc1cncc([C@@H]2CCCN(C(C)C)C2)n1 257242018 IARWSECSANASDI-LLVKDONJSA-N 234.347 2.106 0 40 BEAB CCOC(=O)c1cn(C)c2ccc(Cl)nc12 259935876 AZFMHNGMAAJBGZ-UHFFFAOYSA-N 238.674 2.403 0 40 BEAB COC(=O)C12CCC(C(=O)OC(C)(C)C)(C1)C2 306145811 QZNOHCGJYRZBCQ-UHFFFAOYSA-N 240.299 2.062 0 40 BEAB Cc1cncc(-c2cnc(N3CCC3)nc2)c1 1240803373 PIRUPQVWKSSIPP-UHFFFAOYSA-N 226.283 2.057 0 40 BEAB Cc1ccc(-c2ocnc2C(=O)O)cc1 107952 SEGAPYFKYCVPBR-UHFFFAOYSA-N 203.197 2.348 0 40 BEAB in-vitro Cc1cc(C)[n+]2nc(C(C)C)sc2n1 495337 RLTAVNDDPZYMAG-UHFFFAOYSA-N 208.310 2.017 0 40 BEAB COCCC(=O)SCc1ccccc1 1561275 OWZFUHZGNWFVRV-UHFFFAOYSA-N 210.298 2.483 0 40 BEAB COc1cc(O)c2ccccc2c1OC(C)=O 1757396 SMVIDEQRZJLJFG-UHFFFAOYSA-N 232.235 2.479 0 40 BEAB COc1ccc2[nH]c3c(c(=O)c2c1)CCCC3 1855747 NAKOPQZYTOAWQJ-UHFFFAOYSA-N 229.279 2.416 0 40 BEAB in-vitro O=CNc1ccc2c(c1)[C@H](O)c1ccccc1-2 2035909 JWTJFYMLLPEOKB-CQSZACIVSA-N 225.247 2.317 0 40 BEAB CC[C@H](N)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 3900389 CVZCIFAVWVMZIQ-AFLAQZCCSA-N 209.333 2.055 0 40 BEAB Cc1ccccc1N[C@H]1SC(=O)N(C)C1=O 4450741 QWKVLAOGYIBIKG-VIFPVBQESA-N 236.296 2.058 0 40 BEAB CC[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 4524785 AWXFSVXURCACKL-SECBINFHSA-N 235.283 2.078 0 40 BEAB O=C(O)CC[C@H]1C[C@@H]1C(=O)c1ccccc1 5051921 BOBBSLDQCITZCL-QWRGUYRKSA-N 218.252 2.370 0 40 BEAB c1ccc2nc(-c3ccncn3)cnc2c1 6238151 SMDFWSBYRSJLGI-UHFFFAOYSA-N 208.224 2.087 0 40 BEAB CC[C@H](C)C(=O)Nc1cc(N)ccc1OC 8703551 PRRRSIZCENCYHZ-QMMMGPOBSA-N 222.288 2.262 0 40 BEAB CCCCC(=O)Nc1ccc(OC)cc1N 8703565 ACHHLWRKMKLWPD-UHFFFAOYSA-N 222.288 2.406 0 40 BEAB CCc1ccc([C@H](O)c2nccn2C)cc1 9421099 KEUBWLFIROMSGD-LBPRGKRZSA-N 216.284 2.064 0 40 BEAB CC(C)NC(=O)N[C@H](C)c1ccccc1 12916804 UTFPHAVVQBCPNT-SNVBAGLBSA-N 206.289 2.455 0 40 BEAB COC(=O)c1[nH]cc(-c2ccccc2)c1N 21774628 KWILITAPDAJQFX-UHFFFAOYSA-N 216.240 2.051 0 40 BEAB Cc1ncc(-c2ccc(F)cc2)c(N)n1 26465793 RMBQYOOKUHBIRY-UHFFFAOYSA-N 203.220 2.173 0 40 BEAB in-vitro CNC(=O)Cc1c(C)[nH]c2ccc(C)cc12 32796728 WPXOVVGVRKIPRJ-UHFFFAOYSA-N 216.284 2.073 0 40 BEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO 34216118 FVBGFZNFXUIHNC-GRYCIOLGSA-N 200.322 2.456 0 40 BEAB in-vivo CC(C)CC(=O)N1C[C@@H](C)OCC1(C)C 36075948 RBTFNODWFDGSIA-SNVBAGLBSA-N 213.321 2.058 0 40 BEAB c1csc(CCNC2CCOCC2)c1 36304050 CBHGELKPVKBZGD-UHFFFAOYSA-N 211.330 2.059 0 40 BEAB CN(Cc1ccncc1)C(=O)c1ccccc1O 36776893 QRWRWIOJVTZRTC-UHFFFAOYSA-N 242.278 2.059 0 40 BEAB C[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 40505879 ZYVLRFFHDODNDS-RYUDHWBXSA-N 225.332 2.204 0 40 BEAB C[C@H](NCc1cnn(C)c1)C1CCCCC1 41054751 GXJXVOSMNJTIIZ-NSHDSACASA-N 221.348 2.479 0 40 BEAB Brc1ccc([C@@H]2COCCN2)cc1 41286258 FXQWZIVIJAEZCN-JTQLQIEISA-N 242.116 2.110 0 40 BEAB in-vitro Cc1noc([C@@H](C)N2CCC(C)CC2)n1 42651748 ZERXJHKDDKNDOB-SECBINFHSA-N 209.293 2.171 0 40 BEAB Cc1ccc(C)c(OC[C@@H](O)CN2CCCC2)c1 48368147 CTKZZOKQHZDHHB-AWEZNQCLSA-N 249.354 2.139 0 40 BEAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC1 51315798 CIDGMGJQDQIEPW-UHFFFAOYSA-N 247.323 2.374 0 40 BEAB O=C1CCC[C@H]2Cc3ccccc3C(=O)[C@@H]12 68568666 WZYCLCDDHBOWSL-GXFFZTMASA-N 214.264 2.411 0 40 BEAB C[C@@H]1CC(=O)CN(Cc2ccccc2)C1 68593095 LQHLLGBMPQNQLJ-LLVKDONJSA-N 203.285 2.098 0 40 BEAB in-vitro CCc1n[nH]c(Sc2ccccc2N)n1 70462234 ZOCFVMSTDPRLQN-UHFFFAOYSA-N 220.301 2.101 0 40 BEAB C[C@H](OC(=O)c1cccn1C)c1ccccn1 71905063 JVXZTABVBSUIKS-JTQLQIEISA-N 230.267 2.338 0 40 BEAB C[C@@H](OC(=O)c1cccn1C)c1ccccn1 71905065 JVXZTABVBSUIKS-SNVBAGLBSA-N 230.267 2.338 0 40 BEAB CCNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72194413 DJWOKZBYDLULCT-LLVKDONJSA-N 242.363 2.243 0 40 BEAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1 72227341 DUYFRGRMBHXSQO-NEPJUHHUSA-N 244.319 2.163 0 40 BEAB Cc1cc([C@H](N)CC(=O)O)ccc1Cl 75450059 PGVQYUDBNHECEK-SECBINFHSA-N 213.664 2.123 0 40 BEAB CC[C@@H](C[C@@H](C)CO)Nc1cncc(Cl)n1 76084080 JHMSHMTTZASCRA-BDAKNGLRSA-N 243.738 2.339 0 40 BEAB Cc1cc(C)c(CNCCc2ncn[nH]2)cc1C 80574258 CZZGXYSADJRFJR-UHFFFAOYSA-N 244.342 2.062 0 40 BEAB CC(C)C[C@@H](N)c1nc2cccnc2n1C 82583469 AWFXCSLZJSLHNV-SECBINFHSA-N 218.304 2.014 0 40 BEAB Nc1cc(Cl)ccc1C(=O)[C@@H]1CCOC1 83053400 UEMASCOGUDXJOE-SSDOTTSWSA-N 225.675 2.141 0 40 BEAB in-vitro Cc1nccn1CCCNC[C@H]1C[C@@H]2C=C[C@H]1C2 85303038 BKLYYGDFUQLEKM-QLFBSQMISA-N 245.370 2.383 0 40 BEAB CC(C)OC(=O)c1cc(Cl)nnc1Cl 87222911 MREQTJYSBKUSHW-UHFFFAOYSA-N 235.070 2.349 0 40 BEAB CCOC(=O)Cc1ccc(N)c(C(F)(F)F)c1 88386166 QXABXFUHWOHYMH-UHFFFAOYSA-N 247.216 2.393 0 40 BEAB Clc1nc(Br)cc2cn[nH]c12 95931496 VMRNYQWZTSBSFX-UHFFFAOYSA-N 232.468 2.374 0 40 BEAB Cc1ccoc1C(=O)Nc1ccncc1F 96485248 WIFNNSUZWSQIDZ-UHFFFAOYSA-N 220.203 2.374 0 40 BEAB CC[C@H](O)CN[C@@H](C)c1ccc(OC)c(F)c1 97033033 DMEPGCHETNRYHJ-ONGXEEELSA-N 241.306 2.256 0 40 BEAB CC[C@@H]1CCN(CCNC(=O)OC(C)(C)C)C1 97227846 UABQOEKRRWDLRI-LLVKDONJSA-N 242.363 2.243 0 40 BEAB CC(C)c1ccccc1N1CCNC1=O 98096575 UNBKACZCGTYQEQ-UHFFFAOYSA-N 204.273 2.340 0 40 BEAB in-vitro COc1ccc([C@@H]2C[C@H]2[C@H](C)O)cc1OC 108350612 ASXMOCXJDQURGK-LSJOCFKGSA-N 222.284 2.188 0 40 BEAB C[C@H]1C[C@H](CO)CCN1C(=O)OC(C)(C)C 141979959 LXOVPEAYTWFSBI-VHSXEESVSA-N 229.320 2.014 0 40 BEAB COC(=O)[C@@H]1C[C@H]1C(=O)c1ccc2c(c1)CCC2 217818586 DTDYBZPONKCLMU-CHWSQXEVSA-N 244.290 2.167 0 40 BEAB CC(C)(C)[C@@H](O)COc1cccc(N)c1 256049653 AUKRJKRWORFBEH-NSHDSACASA-N 209.289 2.055 0 40 BEAB CCCn1cc(CNc2cnn(C)c2C)c(C)n1 256054973 YORUEUFWONXLDP-UHFFFAOYSA-N 247.346 2.256 0 40 BEAB CCn1cnnc1NC(=O)c1ccoc1C(C)C 285941227 UUDXXOQXWBGSCY-UHFFFAOYSA-N 248.286 2.267 0 40 BEAB CC(=O)OCC(=O)c1cccc(C)c1Cl 308819694 XOVZSWBRSLQPTQ-UHFFFAOYSA-N 226.659 2.394 0 40 BEAB FC1(F)CCN(c2ncnc3c2CCC3)CC1 795271991 NLLXDQRMZATDTI-UHFFFAOYSA-N 239.269 2.201 0 40 BEAB FC(F)(F)C1=CCN=C(c2ccccc2)N1 1504245067 RUUHFHILQMLUSZ-UHFFFAOYSA-N 226.201 2.483 0 40 BEAB CC(=O)COc1ccccc1OC(C)C 2362797721 TZWWBBSTGTXYLW-UHFFFAOYSA-N 208.257 2.442 0 40 BEAB CN(C)CCC(=O)c1ccc2c(c1)CCC2 5224 ZTPZZGOIWIXOMZ-UHFFFAOYSA-N 217.312 2.310 0 40 BEAB O=C(Nc1ccc(F)cc1)Nc1nncs1 137533 CUGAGWQPDNMMIK-UHFFFAOYSA-N 238.247 2.321 0 40 BEAB Cc1cc(C=O)c(C)n1C[C@@H]1CCCO1 807208 CUEZTQJBZXOTCJ-LBPRGKRZSA-N 207.273 2.096 0 40 BEAB in-vitro CC(=O)CCN1[C@H](C)[C@H]1c1ccccc1 1667830 WBNBQIWRPXNAJC-LXKBMQFRSA-N 203.285 2.411 0 40 BEAB CCOC[C@H]1CO[C@H](c2ccc(OC)cc2)O1 1676073 TWGSRLWWRLNYSH-STQMWFEESA-N 238.283 2.146 0 40 BEAB COc1ccc2ccccc2c1[C@H](N)CC(=O)O 2586222 OROJLMJKZIOSJV-LLVKDONJSA-N 245.278 2.323 0 40 BEAB Cc1ccc(NC(=O)[C@@H]2CCCO2)c(C)c1 5538590 PMAWUMLIODPLBT-LBPRGKRZSA-N 219.284 2.421 0 40 BEAB Cc1cc(C(=O)NCc2ccccc2C)on1 8367301 SZFOCGNOZWBHRV-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB CC(C)NS(=O)(=O)c1ccc(C(C)C)cc1 13938552 XMMRLWBZFFQZFW-UHFFFAOYSA-N 241.356 2.497 0 40 BEAB Cc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 17975726 NNYVLLMUHSKINZ-STQMWFEESA-N 241.290 2.451 0 40 BEAB CC(C)n1nc(C(=O)O)c2ccccc21 19721697 FHUPHXAYPNYFIU-UHFFFAOYSA-N 204.229 2.315 0 40 BEAB in-vitro CCOC(=O)CCN[C@H](C)c1ccccc1 19736892 HAICYMWLNNWRAE-LLVKDONJSA-N 221.300 2.290 0 40 BEAB O=C(Nc1sccc1C(=O)O)c1ccco1 21965168 JJFBVNZFVVCZPM-UHFFFAOYSA-N 237.236 2.292 0 40 BEAB CCOCC(=O)Nc1cccc(-c2ccn[nH]2)c1 24894797 GDFIJBUFIBUTJM-UHFFFAOYSA-N 245.282 2.052 0 40 BEAB Cc1cccc(OC[C@@H](O)CNC(C)C)c1C 26780469 YDNBUDLNDAAOEH-ZDUSSCGKSA-N 237.343 2.041 0 40 BEAB O=C(Oc1cccc2nsnc12)C(F)(F)F 28284696 NPLCOAXASMZGDY-UHFFFAOYSA-N 248.185 2.159 0 40 BEAB CC(C)N(CC(=O)O)Cc1cccc(F)c1 37994751 XMSXZYWWCWDLKW-UHFFFAOYSA-N 225.263 2.121 0 40 BEAB CCOC(=O)Cn1c(C2CC2)nc2ccccc21 39644442 IRZZGZAPGVCIEB-UHFFFAOYSA-N 244.294 2.477 0 40 BEAB CC(C)CN1CCN(c2ccccc2O)CC1 40477670 AGYUWVIIVONMPZ-UHFFFAOYSA-N 234.343 2.170 0 40 BEAB CC(C)(C)[S@@](=O)Cc1cccc(N)c1 42372882 ULALEJRMTPYQIP-CQSZACIVSA-N 211.330 2.316 0 40 BEAB in-vitro Cc1ccc(N(C)CC2CCOCC2)c(N)c1 42783215 SAQMUNJREIVRKU-UHFFFAOYSA-N 234.343 2.440 0 40 BEAB c1ccc(COCC[C@@H]2CCNC2)cc1 42784203 GACFOICNHWFXQJ-LBPRGKRZSA-N 205.301 2.203 0 40 BEAB in-vitro Brc1ccnc(O[C@@H]2CCOC2)c1 44118495 MLHDTCLHTVTXCI-MRVPVSSYSA-N 244.088 2.012 0 40 BEAB in-vitro CC[C@@H](CO)NC(=O)NC1CCCCCCC1 47601369 CUDSZCBRMSHWJP-NSHDSACASA-N 242.363 2.169 0 40 BEAB CC(C)NC(=S)N[C@H](C)c1ccccn1 47807691 YKQWYTRRHZDUPU-SECBINFHSA-N 223.345 2.015 0 40 BEAB CCN(CC)c1ccc(C[C@H](C)O)cc1 58002176 FEAUNXMGZIZPMT-NSHDSACASA-N 207.317 2.456 0 40 BEAB c1ccc(-c2nc([C@H]3CCCNC3)no2)cc1 60393381 RFNUNTOBFIYXAW-NSHDSACASA-N 229.283 2.204 0 40 BEAB CC(C)(C)c1ccc2c(c1)[C@@H](O)[C@H](N)CCO2 62617664 FXSIZWRFJHHEIR-DGCLKSJQSA-N 235.327 2.127 0 40 BEAB C[C@H](CN(C)c1ccccc1)NC(=O)C1CC1 66456325 UBEOKMPGXBVCCW-LLVKDONJSA-N 232.327 2.038 0 40 BEAB C[C@]1(CO)CCCN1Cc1ccccc1 71790797 LIGZPJRPJQVVNK-CYBMUJFWSA-N 205.301 2.033 0 40 BEAB in-vitro Cc1ccc(CNC[C@H]2CCCCN2)cc1 72204000 CWFBAQCDOMBJKW-CQSZACIVSA-N 218.344 2.227 0 40 BEAB FC(F)(F)Cn1ccc(Br)n1 72339562 BOWOZNGPXMXMLF-UHFFFAOYSA-N 228.999 2.208 0 40 BEAB Cc1ccccc1CCCSc1n[nH]c(N)n1 75108689 IVMIDGNBWNAYFY-UHFFFAOYSA-N 248.355 2.420 0 40 BEAB Cc1ccc(OCc2noc(C3CC3)n2)nc1 77240619 TXKQGMBXYHUQFQ-UHFFFAOYSA-N 231.255 2.229 0 40 BEAB O=C(O)[C@H]1CNc2ccc(Cl)cc2C1 82373030 INOJHLCJPLKNIU-SSDOTTSWSA-N 211.648 2.009 0 40 BEAB NCc1ccc(OCC(F)(F)F)cc1F 87542656 AXGHFGKGQCNGQO-UHFFFAOYSA-N 223.169 2.226 0 40 BEAB O=C(N1CC[C@@H](c2ccccc2)C1)n1ccnc1 89828101 CQQCUQFLASVONI-CYBMUJFWSA-N 241.294 2.341 0 40 BEAB COc1cc2c(cc1OC)N=C(Cl)NC2 96318622 JBRJEVUADFWVCK-UHFFFAOYSA-N 226.663 2.033 0 40 BEAB O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CC=CCC1 97376660 DGZHQZSHZRMEFS-JTQLQIEISA-N 246.314 2.367 0 40 BEAB C[C@@H]1CCC[C@@H](OCC(=O)Nc2cnccn2)C1 97379899 ZECMPNSYZKPSBB-GHMZBOCLSA-N 249.314 2.010 0 40 BEAB CCc1nnc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)s1 102817287 BNNFCYMAKQNRFO-CIUDSAMLSA-N 249.339 2.251 0 40 BEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCCc1cn[nH]c1 107358618 KBTRXIJGRHDMCF-DRZSPHRISA-N 248.326 2.322 0 40 BEAB O=C(CC1CCCC1)N1[C@H]2CC[C@H]1CC(O)C2 107920086 SIIBOAHFYOKUHP-RYUDHWBXSA-N 237.343 2.081 0 40 BEAB Fc1c(Cl)cc(Cl)c2[nH]nnc12 113303599 PPJIREYRHNIGMH-UHFFFAOYSA-N 206.007 2.404 0 40 BEAB COC(=O)c1ccc(Cl)c(O)c1C 114181943 ZGNRUDNXCMVACI-UHFFFAOYSA-N 200.621 2.141 0 40 BEAB CCC(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 192055457 DXSPGCGMUWFQCX-DOMZBBRYSA-N 249.354 2.142 0 40 BEAB Cc1cnc([C@@H]2CCN(Cc3ccncc3)C2)[nH]1 205694731 ZDDBLBDIIDRJRV-CYBMUJFWSA-N 242.326 2.103 0 40 BEAB CN(C)c1ccc(N)cc1NC(=O)c1ccco1 226260833 UOADXPCUIURGFD-UHFFFAOYSA-N 245.282 2.180 0 40 BEAB C[n+]1cccc2cccc(OC(F)F)c21 226795258 WEUPHQMGBYOBNB-UHFFFAOYSA-N 210.203 2.266 0 40 BEAB CCN(CC)c1ccc(/C=C/[N+](=O)[O-])o1 408820239 USLYYJAVJGUUGD-BQYQJAHWSA-N 210.233 2.373 0 40 BEAB Nc1ccccc1-n1ccc(C(F)F)n1 685936585 IKARMVHLMWNBBI-UHFFFAOYSA-N 209.199 2.392 0 40 BEAB CN(C)c1noc(-c2ccccc2)c1C(=O)O 950757478 ISTBGBSWEVQTEI-UHFFFAOYSA-N 232.239 2.106 0 40 BEAB CN(c1ccc(C(C)(C)C)nn1)[C@@H]1CCC[C@@H]1O 952962566 CSHWLUZMQDUWOR-MNOVXSKESA-N 249.358 2.124 0 40 BEAB Cc1cnc([C@@H]2CCCN(CC3CC3)C2)[nH]1 1848356384 VXBWSOURRJRTND-GFCCVEGCSA-N 219.332 2.308 0 40 BEAB Cc1cc2c(cc1C)N[C@H](C)CC(=O)N2 67181 XLCUHBZBXLYRMW-SECBINFHSA-N 204.273 2.446 0 40 BEAB O=C(O)Cc1cnc(Cl)cc1Cl 2599088 PQYUZCUCIIIHJW-UHFFFAOYSA-N 206.028 2.016 0 40 BEAB N=C1c2ccccc2CN1c1cccnc1 3165135 GTQFUGDLNDHDCT-UHFFFAOYSA-N 209.252 2.427 0 40 BEAB COc1ccc([C@@H](C)N)cc1Br 3705503 ODYLWSUKSYAEEN-ZCFIWIBFSA-N 230.105 2.477 0 40 BEAB in-vitro CCOCCCN[C@@H](C)c1ccncc1 4537812 HVOUWNQPTJHLOW-NSHDSACASA-N 208.305 2.159 0 40 BEAB CCc1nnc(SCc2ccc(C)cc2)n1N 5413117 MKDUBNLPRGSTDJ-UHFFFAOYSA-N 248.355 2.155 0 40 BEAB CCN1C(=O)S/C(=C/c2cccc(C)n2)C1=O 6325825 JQLBPRMEFYMTDN-JXMROGBWSA-N 248.307 2.446 0 40 BEAB O=C(O)CCc1ccc2c(c1)CCCO2 6681891 FAIYPDNLZRNKNX-UHFFFAOYSA-N 206.241 2.029 0 40 BEAB COc1ccccc1NC(=O)[C@@H](C)NC(C)C 7780994 LDRQDRUDQIGOFN-SNVBAGLBSA-N 236.315 2.020 0 40 BEAB CC[C@H](C)n1ncc2c(C)cc(=O)[nH]c21 12505317 BLWGJZHWFQZNJY-QMMMGPOBSA-N 205.261 2.004 0 40 BEAB CSCc1cccc(C(=O)N(C)C)c1 12914208 JCGJJVWHBUJFNC-UHFFFAOYSA-N 209.314 2.251 0 40 BEAB CC(C)NC(=S)N1CCc2ccccc2C1 13839375 QFDUQRLSRSCKPC-UHFFFAOYSA-N 234.368 2.328 0 40 BEAB CN(C)C(=O)CSc1nccc2ccccc12 15109022 LXJBVIUHUYXENJ-UHFFFAOYSA-N 246.335 2.415 0 40 BEAB O=C(O)c1cc(F)c(F)c(OC(F)F)c1F 21984710 XKNIFQLRUBLKKI-UHFFFAOYSA-N 242.099 2.404 0 40 BEAB in-vitro Cc1cc2ccccc2n1CC(=O)NCC1CC1 22831750 SQOFRAAYYZFPDL-UHFFFAOYSA-N 242.322 2.476 0 40 BEAB CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 32999438 KTTKIYDKEYYXEB-UHFFFAOYSA-N 228.295 2.406 0 40 BEAB Cc1cnc2c([S@](=O)O)cccc2c1 33940336 RLCYUBNINIQLBX-UHFFFAOYSA-N 207.254 2.124 0 40 BEAB COc1ccc(CNCc2c[nH]nc2C)cc1 35273928 IXWWIPAFXZJDDL-UHFFFAOYSA-N 231.299 2.017 0 40 BEAB COCCCOc1cc(C(=O)O)ccc1C 42393814 NYHDRDMFVPDTCB-UHFFFAOYSA-N 224.256 2.109 0 40 BEAB c1ccc(OCCOCC[C@H]2CCCNC2)cc1 42771581 GKVCAFWXJDIXHU-CQSZACIVSA-N 249.354 2.472 0 40 BEAB CCOC(=O)CCC(=O)c1cccc(N(C)C)c1 43214351 YZYRRRNQYWZTKZ-UHFFFAOYSA-N 249.310 2.279 0 40 BEAB CCn1c(C(=O)O)c(C=O)c2ccc(OC)cc21 45795962 UWZOMRPHRKDTNT-UHFFFAOYSA-N 247.250 2.181 0 40 BEAB CCCN(C[C@@H]1CCCO1)C[C@H]1CCCO1 47774509 TZLSROQHCMBDKY-BETUJISGSA-N 227.348 2.056 0 40 BEAB Cc1c(Cl)cccc1NC(=O)c1cn[nH]n1 48888955 AXXHISJQFVOAHD-UHFFFAOYSA-N 236.662 2.019 0 40 BEAB CC(=O)c1ccc(SCC(=O)O)cc1F 68591569 PEPMALGUUYDTSS-UHFFFAOYSA-N 228.244 2.205 0 40 BEAB in-vitro c1ccc(Cc2cncc([C@@H]3CCCN3)n2)cc1 72344160 SNQNPOUZNTWAMD-AWEZNQCLSA-N 239.322 2.492 0 40 BEAB Cc1nc2cc(F)ccc2n1C1CCNCC1 75972966 UHKZYNCRIUNVQA-UHFFFAOYSA-N 233.290 2.408 0 40 BEAB C[C@@H](CCCCC[C@@H]1C=CC(=O)O1)[C@@H](C)O 77257507 AEPMKZIOUKHDOO-QJPTWQEYSA-N 226.316 2.435 0 40 BEAB biogenic,in-vitro Cc1nc2cc(Br)cnc2n1C 84238925 ODPYZABMIQGXMO-UHFFFAOYSA-N 226.077 2.039 0 40 BEAB in-vitro COC(=O)c1cccc2c(N)cccc12 89211693 XFPOUBKDAKYFKW-UHFFFAOYSA-N 201.225 2.209 0 40 BEAB CC[C@H](N[C@@H]1CCC[C@@H]1CCC(C)C)C(N)=O 97105397 CEKIZBRFVMMDTP-FRRDWIJNSA-N 240.391 2.445 0 40 BEAB CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C2(F)F 100444776 RYCLZPJKWUKFKM-BQBZGAKWSA-N 219.231 2.261 0 40 BEAB NC12C[C@H]3C[C@H](C1)CC(Br)(C3)C2 108424385 MVSBABWZAHWBSX-DKEVHCRPSA-N 230.149 2.431 0 40 BEAB CC1(C)C[C@]2(C(=O)O)CC[C@]1(C)C(=O)C2 110767530 PUQLHGDQHCQSQZ-NEPJUHHUSA-N 210.273 2.247 0 40 BEAB Cc1cccc(C)c1C(=O)NCc1c[nH]nc1C 195540118 POFYYNODQAVYTQ-UHFFFAOYSA-N 243.310 2.265 0 40 BEAB Cc1cccc(-c2nc(CO)c(C)o2)c1 206065163 GDEFTXKQYYWPKH-UHFFFAOYSA-N 203.241 2.451 0 40 BEAB CCc1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)OC)cc1 217817381 BVISVLOWLVLWLN-NEPJUHHUSA-N 232.279 2.241 0 40 BEAB CCO[C@@H](Cc1cccc(C)c1)C(=O)O 220066457 AANNRELKRZPVDB-NSHDSACASA-N 208.257 2.027 0 40 BEAB CC(=O)N1CCCC[C@@H]1CC[C@@H]1CCCCN1 252497314 QDLPLRVGHSLZQZ-UONOGXRCSA-N 238.375 2.310 0 40 BEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccnc1 260897401 INCQWLCAGQRTMV-JBLDHEPKSA-N 216.284 2.000 0 40 BEAB COCO[C@H](C)c1cc(F)ccc1C=O 521399862 VKXGPVSMWPMHBF-MRVPVSSYSA-N 212.220 2.320 0 40 BEAB O[C@H]1CC[C@@H]1Nc1ncccc1C(F)(F)F 585297274 ABSCCCWWPOFMTL-YUMQZZPRSA-N 232.205 2.036 0 40 BEAB C[C@@]12CC3(N)CC(C(=O)O)(C1)C[C@](C)(C3)C2 53642 VGTIAGCVYBEACG-MPEURRAXSA-N 223.316 2.149 0 40 BEAB O=C(Cc1ccccn1)Nc1ccccc1 259188 VRHXDURRCKBYRU-UHFFFAOYSA-N 212.252 2.263 0 40 BEAB COc1ccc2c(c1)C(=O)[C@@H]1CC(=O)CC[C@H]21 1630460 FZZWEJOHMLNMPL-ZYHUDNBSSA-N 230.263 2.344 0 40 BEAB Cc1nc2nc(Cl)nc(Cl)c2nc1C 1696508 VJWDGZCTLXDUAK-UHFFFAOYSA-N 229.070 2.343 0 40 BEAB CCCCCCc1c(O)[nH]c(=S)[nH]c1=O 5080704 UPNHKBQCEQGRQG-UHFFFAOYSA-N 228.317 2.261 0 40 BEAB O=c1c2c([nH]c3ccccc13)CSC2 5104743 GAAHJAGSRPVNRL-UHFFFAOYSA-N 203.266 2.275 0 40 BEAB CCCCOc1ccc(C(=O)OC)c(O)c1 5420510 FLHQOBMRZRWHNH-UHFFFAOYSA-N 224.256 2.358 0 40 BEAB in-vitro COc1ccc(NC(=O)[C@H]2C[C@H]2C)c(OC)c1 5461548 ADRWLHXWNYGAMI-SCZZXKLOSA-N 235.283 2.298 0 40 BEAB O=C(O)CNC(=O)Nc1cccc2ccccc12 5605008 UZKXSPJTPMFICJ-UHFFFAOYSA-N 244.250 2.046 0 40 BEAB Cc1cccc(N[C@H](C)C(=O)NC2CC2)c1C 7042217 ITMJQCYBQFWPRA-LLVKDONJSA-N 232.327 2.382 0 40 BEAB O=C(NCCc1cccc(F)c1)c1ccccn1 7122711 NQGPSNXXBJXYPI-UHFFFAOYSA-N 244.269 2.193 0 40 BEAB Cn1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cn1 8095594 JSBKKIAMBYPNQL-RYUDHWBXSA-N 247.342 2.072 0 40 BEAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccnc1 16970269 DYTNYPBYDDSYGQ-PHIMTYICSA-N 218.300 2.485 0 40 BEAB C[C@@H](c1nc2ccccc2s1)N1CCNCC1 19229995 ODJUAJUMDAPBJB-JTQLQIEISA-N 247.367 2.263 0 40 BEAB in-vitro CCCNCC(=O)Nc1ccc(Cl)cc1 20056576 DJXFBZMEXOIBNA-UHFFFAOYSA-N 226.707 2.278 0 40 BEAB in-vitro CN(CCCCCCN)CCc1ccccn1 20074305 NRZFIRCXEXFIHN-UHFFFAOYSA-N 235.375 2.075 0 40 BEAB COCCCOc1ccc2nc(N)sc2c1 20133686 CJVXAHVYEHTKJH-UHFFFAOYSA-N 238.312 2.294 0 40 BEAB CC(=O)c1cnn(-c2ccc(Cl)cn2)c1C 22995850 ADGVJYLZRJHWKN-UHFFFAOYSA-N 235.674 2.432 0 40 BEAB O=C(Nc1nc[nH]n1)c1ccc2ccccc2c1 23142635 ARFFGKQKOFVEAY-UHFFFAOYSA-N 238.250 2.210 0 40 BEAB CCCCNC(=O)Nc1nnc(CC)s1 28225546 DSOQZOPMPLBDOW-UHFFFAOYSA-N 228.321 2.022 0 40 BEAB COc1ncccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 32755225 ZJERAJQFPKEIEM-PHIMTYICSA-N 248.326 2.208 0 40 BEAB CN(C)C(=O)Cc1cccc(C(F)(F)F)c1 34354368 BCMMBCGANAAIJZ-UHFFFAOYSA-N 231.217 2.336 0 40 BEAB CC[C@@H](C)NC(=O)c1cc(Cl)ccn1 36804039 YPOCXYXNRVHYJZ-SSDOTTSWSA-N 212.680 2.263 0 40 BEAB O=C(CC[C@@H]1CCCO1)NCc1ccccc1 40505769 ZQZRFMJURIRIBZ-ZDUSSCGKSA-N 233.311 2.262 0 40 BEAB Cc1ccccc1C[C@@H](C(=O)O)N1CCCCC1 41299170 PYVDECFFCCKSMF-AWEZNQCLSA-N 247.338 2.477 0 40 BEAB COC(=O)c1ccccc1[C@@H]1CCCCN1 44135438 IEQZQZOYCGACDC-LBPRGKRZSA-N 219.284 2.288 0 40 BEAB CCCSCC(=O)N1CCC[C@H](C)C1 48370914 NFWBZRGPAHSZFJ-JTQLQIEISA-N 215.362 2.388 0 40 BEAB COCCN(C)Cc1cccc(Cl)c1 53419798 GZQUYDNHMKJJPW-UHFFFAOYSA-N 213.708 2.418 0 40 BEAB N[C@@]1(C(=O)O)C[C@@H]1c1ccc(Cl)cc1Cl 62712949 VINHNAHFYVPZRL-XCBNKYQSSA-N 246.093 2.263 0 40 BEAB C[C@@]1(C(=O)O)CCCN(C2CCCC2)C1 62876677 FSHFQTHNHSVWGY-GFCCVEGCSA-N 211.305 2.116 0 40 BEAB C[C@H]1C(=O)CCCN1Cc1ccccc1 68592826 WYHHURGFXKJVKA-NSHDSACASA-N 203.285 2.240 0 40 BEAB in-vitro Cc1ncn(-c2cccc(C(=O)O)c2)c1C 68983597 HPPMZIVQTYMLFI-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB Cc1c(Cl)cccc1S(=O)(=O)NC1CC1 70255406 LRZVXXWHQKSIRB-UHFFFAOYSA-N 245.731 2.089 0 40 BEAB CC[C@H](N)c1ccc(NC2CC2)nc1C 72224860 WUWOASITMQYKMT-NSHDSACASA-N 205.305 2.374 0 40 BEAB c1ccc(Cc2cnc([C@H]3CCCN3)cn2)cc1 72384558 VSKYTHVZPNDWSY-CQSZACIVSA-N 239.322 2.492 0 40 BEAB Cc1ccc(O[C@@H](C)CNC(=O)NC2CC2)cc1 76066432 UTEHFWVHLMMWAD-NSHDSACASA-N 248.326 2.224 0 40 BEAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)n(C)n1 84183339 KXLVRQGLLDKKFJ-UHFFFAOYSA-N 247.273 2.428 0 40 BEAB C[C@H](CN)Cc1cccc(OC(F)F)c1 89262722 DOVAKENMPXSWAP-QMMMGPOBSA-N 215.243 2.425 0 40 BEAB CCN1CC[C@@H](NC[C@@H](C)SC)[C@H](C)C1 90725123 GLBSBOQHIMFMPB-IJLUTSLNSA-N 230.421 2.058 0 40 BEAB CC(C)n1ccnc1CSCCN(C)C 95441039 ZJJFZEHOGGKXLA-UHFFFAOYSA-N 227.377 2.259 0 40 BEAB COc1cccc(OC(F)(F)F)c1C(=O)O 95611690 ONXRZSWMXWCTRH-UHFFFAOYSA-N 236.145 2.292 0 40 BEAB C[C@H](C[C@H](O)c1ccccc1)NCc1ncc[nH]1 95978173 SKAGLMUJGKMDRO-YPMHNXCESA-N 245.326 2.012 0 40 BEAB NC(=O)c1cccc(OC2CCCCC2)c1 98012623 IERDXDSNMDACLB-UHFFFAOYSA-N 219.284 2.497 0 40 BEAB Fc1ccc([C@@H]2CNC[C@@H]2c2cc[nH]n2)cc1 98089134 NVTPVMPVSIFJTR-RYUDHWBXSA-N 231.274 2.019 0 40 BEAB CCN(CC)[C@@H](Cc1cccc(C)c1)C(=O)O 107843789 GJJJCRPCXPGYLT-ZDUSSCGKSA-N 235.327 2.333 0 40 BEAB Cc1cc(C)n(CCO[C@@H]2CCCCO2)n1 192839166 JFDAJTIBBRCYEN-GFCCVEGCSA-N 224.304 2.043 0 40 BEAB Cc1cc(NCc2cnn(C(C)C)c2)nn1C 256051073 HOTWJUBWOCORLD-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB Nc1n[nH]c2c(F)ccc(Br)c12 261508155 QAODYXMUDXETSF-UHFFFAOYSA-N 230.040 2.047 0 40 BEAB CNC(=O)Nc1ccc2sc(C)nc2c1 408975702 CIUMQLFHAJSHRJ-UHFFFAOYSA-N 221.285 2.356 0 40 BEAB Cn1ncc2c1CN(C[C@@]1(C)CCCS1)C2 639319282 FOECKGBJFJNACW-GFCCVEGCSA-N 237.372 2.021 0 40 BEAB CC1CC(C(=O)NC2CC3(CSC3)C2)C1 871509088 QIEYFKFGLCRLMV-UHFFFAOYSA-N 225.357 2.044 0 40 BEAB C[C@H](F)COC(OC[C@@H](C)F)OC[C@@H](C)F 1083808028 VWOCFXWMMFWYDE-HLTSFMKQSA-N 244.253 2.394 0 40 BEAB COc1ccc([C@H]2OC[C@@H](C)O2)cc1OC 1677001 RTGAEOYQOMUCLS-PELKAZGASA-N 224.256 2.138 0 40 BEAB CC(C)COC(=O)c1ccccc1C=O 1689279 ZPKKLIIRYMJODM-UHFFFAOYSA-N 206.241 2.312 0 40 BEAB CCN1CCN(c2ccc(Cl)cc2N)CC1 3445945 KLVUMLIJOJJXAM-UHFFFAOYSA-N 239.750 2.064 0 40 BEAB C[n+]1ccccc1/C=C\c1cccc(O)c1 4962000 FAUOFTDOZBSXLA-HJWRWDBZSA-O 212.272 2.387 0 40 BEAB COC(=O)[C@@H]1[C@@H](C)[C@H]2CCCC[C@@H]2C[C@@]1(C)O 5395549 YFOUZMQDXMJLSG-ILOGHGLZSA-N 240.343 2.373 0 40 BEAB CCOC(=O)c1c[nH]c(-c2ccccc2)n1 5799583 UABZXMAUPKBULM-UHFFFAOYSA-N 216.240 2.253 0 40 BEAB in-vitro CCCNC(=O)Nc1ccc(OC)cc1OC 5951919 JNNZBGFBFBOATI-UHFFFAOYSA-N 238.287 2.235 0 40 BEAB C[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 6498347 WHNIMAHOWZCQFM-SNVBAGLBSA-N 243.310 2.435 0 40 BEAB O=C(Nc1cccc(F)c1)c1ccccn1 6638305 ZWVPYRZGMVKYLX-UHFFFAOYSA-N 216.215 2.473 0 40 BEAB CC(=O)Nc1c(C(=O)O)n(C)c2cccc(C)c12 8415473 JNDWITGFDKOVEZ-UHFFFAOYSA-N 246.266 2.143 0 40 BEAB Cc1cccc(Cn2cccc2C=O)n1 8702358 NDYHASVDUJSLCI-UHFFFAOYSA-N 200.241 2.052 0 40 BEAB COc1cc(C=O)ccc1OCC(F)(F)F 12394577 SICBRZYTULOVSI-UHFFFAOYSA-N 234.173 2.449 0 40 BEAB COc1cc(CNC(=O)[C@@H]2CC=CCC2)ccn1 12536780 RGNFUUOJHUQMTJ-GFCCVEGCSA-N 246.310 2.063 0 40 BEAB CC(=O)N1CCc2cc3cccc(C)c3nc21 15841975 CIIUSBPTIRYDTO-UHFFFAOYSA-N 226.279 2.452 0 40 BEAB CCn1nc(C)c2nc3ccccc3nc21 16162777 UNLCDHURNVYQJP-UHFFFAOYSA-N 212.256 2.308 0 40 BEAB CCn1cc(CNc2cn(CC)nc2C)cn1 20350953 VWQUUGDDWLMMPS-UHFFFAOYSA-N 233.319 2.040 0 40 BEAB C[C@H](Oc1cccc(N)c1)C(=O)NC1CCCC1 20388484 JIWNFMSFJPSUKF-JTQLQIEISA-N 248.326 2.095 0 40 BEAB CCc1c(O)cc(OC)c2c1O[C@H](C)CC2=O 31155929 BPIMOIWHAHUBPJ-SSDOTTSWSA-N 236.267 2.317 0 40 BEAB biogenic,in-vitro O=C(O)c1ccc(F)cc1C(=O)c1cccnc1 34118115 HBHVTWNINRHNIA-UHFFFAOYSA-N 245.209 2.150 0 40 BEAB O=C(O)[C@H](c1cccc(F)c1)N1CCCC1 37360169 OBAJONBZYUDYPB-NSHDSACASA-N 223.247 2.047 0 40 BEAB Clc1nc(-c2ncccn2)nc2c1CCC2 42400269 LRUMTHOBYXNNCY-UHFFFAOYSA-N 232.674 2.076 0 40 BEAB Fc1cccc(F)c1CO[C@@H]1CCCNC1 42782980 SPHKMVKBKSVCNI-SECBINFHSA-N 227.254 2.233 0 40 BEAB Cc1c(F)cccc1NCc1nccn1C 43321094 HFFNGSMDHWVGLS-UHFFFAOYSA-N 219.263 2.480 0 40 BEAB O=C(NCc1ccco1)[C@@H]1CC=CCC1 52893322 PBFFTRFVSNFOHG-SNVBAGLBSA-N 205.257 2.252 0 40 BEAB COc1ccc([C@H](O)c2ccccn2)c(OC)c1 55232739 HNOXBKQEEVIRHV-AWEZNQCLSA-N 245.278 2.181 0 40 BEAB CCN(C(=O)c1cnccn1)c1ccc(F)cc1 57744777 ACZFIZRPSMXDSJ-UHFFFAOYSA-N 245.257 2.282 0 40 BEAB CC(=O)N1CCC[C@H](Oc2ccccc2)C1 62194500 HPWAQLIGJMUBKK-ZDUSSCGKSA-N 219.284 2.076 0 40 BEAB CCN(CC)c1ccc([C@H]2C[C@H]2N)cc1 62494918 GVMVJVUMXASALG-CHWSQXEVSA-N 204.317 2.347 0 40 BEAB Cc1nc2ccccc2n1C[C@H](O)C(F)(F)F 68877908 WIWPZUODOSEPJR-JTQLQIEISA-N 244.216 2.268 0 40 BEAB CCc1ccsc1C(=O)O[C@@H]1CCOC1 71883868 SNDMKCKKKZSZHN-SECBINFHSA-N 226.297 2.256 0 40 BEAB Cc1n[nH]c(C(=O)O)c1Cc1ccc(F)cc1 72220411 SMYLJADTZHRKPL-UHFFFAOYSA-N 234.230 2.146 0 40 BEAB CCCCN(C(=O)CN)[C@@H](C)c1ccccc1 76617195 UPAQVJVAWWRZAM-LBPRGKRZSA-N 234.343 2.335 0 40 BEAB COC(=O)c1cccc(-n2ccnc2SC)c1 78965387 UQCQOXGSAZOPSA-UHFFFAOYSA-N 248.307 2.381 0 40 BEAB CC(C)(C)[C@H](O)[C@H](C(=O)O)c1ccccc1 82290400 YDLFOECLRCJUCM-GHMZBOCLSA-N 222.284 2.262 0 40 BEAB O=C(CC1OCCO1)c1ccc(Cl)cc1 85652189 HXEIGGSELNGNHM-UHFFFAOYSA-N 226.659 2.286 0 40 BEAB CCc1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 89295508 LNPGXBACHGIEHL-IUCAKERBSA-N 223.345 2.337 0 40 BEAB COc1ccc(CSc2nccn2C)nc1 95941640 RUAMTHBDBQCVLC-UHFFFAOYSA-N 235.312 2.116 0 40 BEAB CCc1nsc(N[C@H]2CCC[C@@]2(C)CO)n1 96455802 ZGMAXQNILZBTFI-KWQFWETISA-N 241.360 2.064 0 40 BEAB CCCn1cc(N[C@H](C)c2nc(CC)no2)cn1 97377354 PIYHZESERMPNHM-SECBINFHSA-N 249.318 2.412 0 40 BEAB Cc1cccc(CN[C@H]2CC[C@H](N)CC2)c1 100809516 OVHDJFQIAVVZQI-OKILXGFUSA-N 218.344 2.355 0 40 BEAB Cc1cc(OCc2nncn2C)ccc1Cl 160952325 TYXNRTWRZIWBMS-UHFFFAOYSA-N 237.690 2.356 0 40 BEAB CCCNC(=O)c1ccc(N(CC)CC)c(N)c1 225436053 OQAZREFIHMDERF-UHFFFAOYSA-N 249.358 2.255 0 40 BEAB CCN(CC)c1ccc(N)cc1C(=O)NC(C)C 225483994 KBIQHTSGORQCGP-UHFFFAOYSA-N 249.358 2.253 0 40 BEAB Cc1ccc2cc(Br)c(O)nc2n1 253536424 QHMCLLBPGJTMDP-UHFFFAOYSA-N 239.072 2.406 0 40 BEAB COC(=O)c1ccc(F)c(Br)c1O 258834203 OPPZZPZHYUKTCV-UHFFFAOYSA-N 249.035 2.080 0 40 BEAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1CF 294153717 RRQCLMVUYWZSAP-GHMZBOCLSA-N 211.280 2.303 0 40 BEAB Cc1ncnc(C2CC2)c1Br 514251834 YZUYGSULFGKNJB-UHFFFAOYSA-N 213.078 2.425 0 40 BEAB COC(=O)NC[C@@H](OC)c1cc2ccccc2o1 575415641 MBNLKMYLRCSBLU-GFCCVEGCSA-N 249.266 2.476 0 40 BEAB COc1cc(C)nc(C2=N[C@@H](C(C)C)CO2)c1 1857775562 DNTNQRRKJYXLMV-GFCCVEGCSA-N 234.299 2.200 0 40 BEAB Clc1ncnc2c1ncn2Cc1ccco1 1713924 IYNKBURZVGCZAH-UHFFFAOYSA-N 234.646 2.121 0 40 BEAB COc1ccc(NCc2ccn(C)n2)cc1 2536315 BCDSDSXMNOGNSY-UHFFFAOYSA-N 217.272 2.041 0 40 BEAB CCc1nnc2nc(-c3ccc(Cl)cc3)[nH]n12 3160392 RIKFOGPGBFWDSP-UHFFFAOYSA-N 247.689 2.335 0 40 BEAB CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 4330194 QDVIBJDYZDSNRM-UHFFFAOYSA-N 237.646 2.348 0 40 BEAB CC(C)O[C@H]1NC(=O)Oc2ccccc21 5706908 AJHIFDZDOUDWQF-SNVBAGLBSA-N 207.229 2.212 0 40 BEAB COc1ccc(NC(=O)Cc2cccs2)cn1 6252578 STNUJPZCWWCFCJ-UHFFFAOYSA-N 248.307 2.333 0 40 BEAB c1ccc2nc(OC3CCNCC3)ccc2c1 6718314 PFWIDVRMXWTWAD-UHFFFAOYSA-N 228.295 2.366 0 40 BEAB O=C(CN1CCCC1)OCCCc1ccccc1 6720268 DIWSCHGCFLMEAP-UHFFFAOYSA-N 247.338 2.258 0 40 BEAB COc1ccc(NCC(C)(C)C(=O)O)cc1 8702834 DVDBAGLWVKQDMN-UHFFFAOYSA-N 223.272 2.218 0 40 BEAB CCc1nonc1NC(=O)c1ccccc1F 9200330 FAFJFEHFXBWXHB-UHFFFAOYSA-N 235.218 2.023 0 40 BEAB Cc1ccc(Oc2ncnc3c2cnn3C)cc1 14204284 VQWYSFXUQTXYAG-UHFFFAOYSA-N 240.266 2.464 0 40 BEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)O 19423814 KHXCNDVMASKGJY-HTRCEHHLSA-N 237.230 2.118 0 40 BEAB CC(C)COc1ccc(CC(=O)O)cc1 19843611 APXLSLWSMWRTTL-UHFFFAOYSA-N 208.257 2.349 0 40 BEAB in-vitro CCCCOC(=O)[C@H](C)Oc1cccc(N)c1 31896820 DULSGWDGTWTGER-JTQLQIEISA-N 237.299 2.379 0 40 BEAB CC[C@@H]1CCCCN1C(=O)[C@H](C)n1cccn1 32765522 HCKLXEZRWMDWCU-NWDGAFQWSA-N 235.331 2.235 0 40 BEAB COC(=O)c1sccc1NC(=O)[C@H]1C[C@H]1C 35163687 WNUUPAXJWOBHKE-RQJHMYQMSA-N 239.296 2.129 0 40 BEAB O=C(O)[C@@H]1CCCO[C@H]1c1ccccc1 36379618 PLTXACXZZGZCLU-MNOVXSKESA-N 206.241 2.239 0 40 BEAB C[C@@H](NC(=O)c1ncccc1O)c1cccs1 37760720 VEBNHZUYNSIFGC-MRVPVSSYSA-N 248.307 2.340 0 40 BEAB Brc1ccc([C@H]2CNCCO2)s1 38002249 ITEVHYHKVJMLFI-ZCFIWIBFSA-N 248.145 2.172 0 40 BEAB NC(=O)/C=C\c1c(Cl)cccc1Cl 39378585 UKUKFPMBMDGRON-PLNGDYQASA-N 216.067 2.492 0 40 BEAB O=C(NCCc1ccsc1)c1ccccn1 40509566 OFYJYAAVDSEEKJ-UHFFFAOYSA-N 232.308 2.116 0 40 BEAB O=C(O)CC1(c2ccc(F)cc2)CCOCC1 41279799 ZPVBKHYCILTLSD-UHFFFAOYSA-N 238.258 2.349 0 40 BEAB COc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 43878955 LXXNRXBNXLZTQY-WDEREUQCSA-N 248.278 2.379 0 40 BEAB NCCc1ccc(Oc2ccccc2)nc1 44397098 KTSPCNHXYPHVHN-UHFFFAOYSA-N 214.268 2.375 0 40 BEAB in-vitro N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 49648390 OQBONGSOEASGRL-MRVPVSSYSA-N 245.109 2.057 0 40 BEAB in-vitro O=C1N[C@H](c2ccco2)Sc2ncccc21 59490077 ANYJGDUXLCDTEK-NSHDSACASA-N 232.264 2.209 0 40 BEAB C[C@@H](CNC(=N)Nc1ccccc1)N1CCCC1 66245320 GVEJBNZXYAQPSK-LBPRGKRZSA-N 246.358 2.107 0 40 BEAB CC(C)C(=O)N1CCCC[C@H]1c1ccncn1 72187568 MRASHAAFZGWACQ-LBPRGKRZSA-N 233.315 2.186 0 40 BEAB CCN(CC)c1ccc([C@H]2CCCN2)cn1 72212819 YGBUMWZHUNMUKP-GFCCVEGCSA-N 219.332 2.352 0 40 BEAB COC[C@H](OC)c1ccc([C@H](C)O)cc1 72220052 HZBXRAFNPGZPAW-CABZTGNLSA-N 210.273 2.074 0 40 BEAB CC(C)[C@H](NC(=O)[C@@H]1CCCO1)c1ccccn1 78826817 QYFRITYSPBBUFK-STQMWFEESA-N 248.326 2.074 0 40 BEAB CC[C@@H](CO)NCc1cc(Cl)ccc1F 83358402 XSLSMFPRQJOUCT-JTQLQIEISA-N 231.698 2.340 0 40 BEAB Cc1ccc(Cn2cccc2C(=O)O)o1 85847113 GEFRVSLOXIVHGL-UHFFFAOYSA-N 205.213 2.136 0 40 BEAB CC(C)(O)CNC(=O)c1cccc2ccccc12 87030235 WDRIVBXNBGXLRD-UHFFFAOYSA-N 243.306 2.341 0 40 BEAB C[C@H]1CNCc2cc(Br)cnc21 91365433 SAUNBSOLPMRRHH-LURJTMIESA-N 227.105 2.051 0 40 BEAB Cc1n[nH]c2cc(NC(=O)C3CC3)ccc12 91827858 WUMYRALXXKYWOZ-UHFFFAOYSA-N 215.256 2.220 0 40 BEAB O=C(O)c1ccc2[nH]c(Br)nc2c1 95093697 QYNMDHIBASYCCA-UHFFFAOYSA-N 241.044 2.024 0 40 BEAB CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 95396258 LPOGUUHMZPLHAS-LLVKDONJSA-N 240.253 2.441 0 40 BEAB CO[C@@H]1CCCCC[C@@H]1NC(=O)C(C)(C)C 98018997 MOGVSUMPPDKTOI-WDEREUQCSA-N 227.348 2.496 0 40 BEAB Cc1ncsc1CN1CCC[C@@H]([C@@H](C)O)C1 136832319 GGMHEAGKULWFBM-GHMZBOCLSA-N 240.372 2.044 0 40 BEAB Cc1cccc(N(C)CC2CCOCC2)n1 158312353 DFSMRGMVIJJAER-UHFFFAOYSA-N 220.316 2.253 0 40 BEAB CC[C@@H](C)CC(=O)N1CCOCC1(C)C 190043282 WYPZEHRCSNVIQC-SNVBAGLBSA-N 213.321 2.060 0 40 BEAB Cc1ccc(Cl)c(NC(N)=S)c1 197122907 SNPMLYSQYNBDNM-UHFFFAOYSA-N 200.694 2.304 0 40 BEAB O=C(O)c1cc(Cc2ccc(F)cc2)on1 218581200 ZNTVSUMAKKBMFI-UHFFFAOYSA-N 221.187 2.103 0 40 BEAB Cc1nc(C(C)C)ncc1C(=O)NC(C)(C)C 222568655 SZHPXTYGKZMZIT-UHFFFAOYSA-N 235.331 2.437 0 40 BEAB C1CCC(N2CCN[C@@H]3CCCC[C@@H]32)C1 225711473 ZWKJNDZNZSTNMG-OLZOCXBDSA-N 208.349 2.145 0 40 BEAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)C 225721971 DQONXOHIPLOHGQ-NSHDSACASA-N 247.338 2.421 0 40 BEAB C[C@H]1[C@@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2N)O[C@@H]1C 225763309 CZVKMVVAGFXBBQ-RERUZZKTSA-N 237.265 2.326 0 40 BEAB Cc1cn2c(CNC(C)C)cnc2s1 256054570 WVYFKJUTBATTHY-UHFFFAOYSA-N 209.318 2.202 0 40 BEAB O=C(c1ncccc1F)N1CCC[C@@H](CF)C1 881603906 AUXWCKDXEROMTD-VIFPVBQESA-N 240.253 2.042 0 40 BEAB CCOC(=O)c1c(NC=O)sc(C)c1C 1237974 AHOKSMVPWZDAFO-UHFFFAOYSA-N 227.285 2.110 0 40 BEAB O=C(O)[C@@H]1CCc2c(cnn2-c2ccccc2)C1 1735250 LKQCZYSUANDTFH-SNVBAGLBSA-N 242.278 2.062 0 40 BEAB CCOP(=O)(OCC)[C@@H](O)c1cccnc1 1786978 MZSVJEVPARITDB-SNVBAGLBSA-N 245.215 2.339 0 40 BEAB O=C(O)C[C@H](CCCc1ccccc1)C(=O)O 2042874 ZZJMHFGRUXTWRG-NSHDSACASA-N 236.267 2.185 0 40 BEAB C[C@@H]1CCCN(C(=O)COc2ccccc2)C1 5528015 ADEMQGDTKYROSC-GFCCVEGCSA-N 233.311 2.324 0 40 BEAB CCN(CC)C(=O)c1sc(C)nc1C 5597824 VCJTXNMDPJMXJH-UHFFFAOYSA-N 212.318 2.242 0 40 BEAB C[C@@H]1[C@H]2CCN(C)[C@@H]1Cc1ccc(O)cc12 5766169 SVPZRQDNNLAJMW-GAJTVXKRSA-N 217.312 2.372 0 40 BEAB C[C@@H](Oc1cccc2c1OC(C)(C)C2)C(=O)O 7078272 ALYKTAHHRRYHQO-MRVPVSSYSA-N 236.267 2.252 0 40 BEAB Nc1ccc(Cl)c(C(=O)N2CCCC2)c1 8732446 SIWKSBBKJLKFPF-UHFFFAOYSA-N 224.691 2.158 0 40 BEAB Cc1cccc(NC(=O)NC[C@H]2CCCO2)c1 9254088 XZZBYHHMCAUWCG-GFCCVEGCSA-N 234.299 2.296 0 40 BEAB Cc1cccc(NC(=O)c2csnn2)c1 11914437 NYBBMPIGLYERAK-UHFFFAOYSA-N 219.269 2.099 0 40 BEAB Cc1cnn(-c2c(N)cccc2Cl)c1 12395448 OJNSVJIXKVHKQE-UHFFFAOYSA-N 207.664 2.416 0 40 BEAB Cc1cc(=O)[nH]c2c1cnn2[C@@H](C)C1CC1 12505319 CQPZGBQVMVGDQG-QMMMGPOBSA-N 217.272 2.004 0 40 BEAB O=C1C[C@@H]2CCC[C@H](c3ccccc3)[C@]2(O)O1 12653213 ZMWQOEWNVDTTKC-OUCADQQQSA-N 232.279 2.206 0 40 BEAB biogenic CN1CCC(NC(=S)Nc2ccccc2)CC1 13775528 YZSKVZCFTUVNOM-UHFFFAOYSA-N 249.383 2.067 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)O 19423810 KHXCNDVMASKGJY-SVRRBLITSA-N 237.230 2.118 0 40 BEAB Cn1c(Br)nc(Cl)c1Cl 19702725 MELULNLISMUDSX-UHFFFAOYSA-N 229.892 2.489 0 40 BEAB N=C(N)c1ccc(-n2cnc3ccccc32)cc1 19865997 BZNCSHAFNFGXHQ-UHFFFAOYSA-N 236.278 2.310 0 40 BEAB in-vitro CCOc1ccc(N)cc1C(=O)N(CC)CC 20155778 LSZBPXVGXXUMPQ-UHFFFAOYSA-N 236.315 2.150 0 40 BEAB COc1cccc(Oc2ncccc2CN)c1 22173632 RMBZHWHXKSGEON-UHFFFAOYSA-N 230.267 2.341 0 40 BEAB in-vitro C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 32787744 IEJIMLDSAATWGJ-ZYHUDNBSSA-N 233.315 2.127 0 40 BEAB Cc1ccc(-n2nnc3ccccc3c2=O)cc1 34083418 VEMSCPIBMFCUJP-UHFFFAOYSA-N 237.262 2.089 0 40 BEAB Cc1cccc(-c2nc(C(=O)O)cs2)n1 34613525 XCLXGIWVYJXHOD-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB CCOCCNCc1ccc(Cl)cc1 35098178 FTYJWEZRZJNPRH-UHFFFAOYSA-N 213.708 2.466 0 40 BEAB COC(=O)c1ccccc1NCc1ccncc1 36804396 GMNHZZBEKCHKJE-UHFFFAOYSA-N 242.278 2.480 0 40 BEAB CCC(CC)C(=O)NCc1ccnc(N(C)C)c1 40087734 WLHKCKNLYRQWII-UHFFFAOYSA-N 249.358 2.200 0 40 BEAB Cc1ccc(C=O)c(-n2cccn2)c1C 40448999 DYSQYFPOHHSBBW-UHFFFAOYSA-N 200.241 2.302 0 40 BEAB COC[C@H](C)NC(=O)c1ccc(Cl)s1 40459924 VHCVWWRXOVSWHO-LURJTMIESA-N 233.720 2.166 0 40 BEAB CN(C(=O)c1cccn1C)C1CCCCC1 40460683 HQSGQVOLGDFPFJ-UHFFFAOYSA-N 220.316 2.430 0 40 BEAB Cc1ccccc1[C@@H]([C@H](C)N)n1cccn1 43037658 KYEWWOWOXMVEHG-WCQYABFASA-N 215.300 2.128 0 40 BEAB OCCNc1cc(C(F)(F)F)cc(Cl)n1 43224362 AFDCSMWCEAIQGK-UHFFFAOYSA-N 240.612 2.158 0 40 BEAB O[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 43367778 YVSFZFJTNXEQJG-NSHDSACASA-N 245.244 2.186 0 40 BEAB CCc1nnc(CN(C)Cc2ccccc2)o1 54114913 AKLZFERJDWFCDU-UHFFFAOYSA-N 231.299 2.264 0 40 BEAB Cc1c(O)c(=O)ccn1C1CCCCC1 62318137 FLKANHIZNIUJPE-UHFFFAOYSA-N 207.273 2.368 0 40 BEAB O=C(N1CC[C@@H]2CCCC[C@H]2C1)n1ccnc1 65553054 MEIKWCXMZCLBHN-RYUDHWBXSA-N 233.315 2.363 0 40 BEAB FC(F)(F)c1ccc(C[C@@H]2CNCCO2)cc1 71559589 MQDHOZCYVUDXDY-LLVKDONJSA-N 245.244 2.236 0 40 BEAB CS(=O)(=O)CCCSc1cccs1 71909993 XRKAHSXOHZFHTA-UHFFFAOYSA-N 236.383 2.275 0 40 BEAB Cc1nc(Cl)ccc1[C@H]1CCCN1C=O 72217888 OLGVGRBNXUPCEO-SNVBAGLBSA-N 224.691 2.337 0 40 BEAB CC(C)(C)c1cn2c(n1)[C@H](CN)CCC2 72226605 XDRYWVURGYHVCE-VIFPVBQESA-N 207.321 2.017 0 40 BEAB Cc1cc2nccc(-c3cc(O)ccc3O)n2n1 72405377 YEFBGZMQLFKMFV-UHFFFAOYSA-N 241.250 2.116 0 40 BEAB Cc1nc2cc(C(=O)NCC(C)C)ccc2n1C 74957282 SETAYIQXJKADHZ-UHFFFAOYSA-N 245.326 2.268 0 40 BEAB NCc1cncn1Cc1ccc(Cl)cc1 75150301 UXCCZALVHLESAL-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB CO[C@@]1(C)C[C@H](N(C)c2ncccn2)C1(C)C 78968216 UDVJYLJFEYMEHN-GWCFXTLKSA-N 235.331 2.116 0 40 BEAB COCc1cccc(OC(=O)c2cccn2C)c1 79037545 WGMHOINEPKNVJO-UHFFFAOYSA-N 245.278 2.391 0 40 BEAB Cc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@H]1N 85358706 SVSCFRAVBPZHFQ-ZIAGYGMSSA-N 246.354 2.081 0 40 BEAB CC(C)(C)c1cc(F)cc(C(=O)O)c1N 95917835 GVXDJZLPLHUNNF-UHFFFAOYSA-N 211.236 2.404 0 40 BEAB CSCC(=O)Nc1cccc(-c2ncc[nH]2)c1 96411645 CULCZFGKRFOAOT-UHFFFAOYSA-N 247.323 2.378 0 40 BEAB CCCC(=O)NC[C@H](C)Nc1ccccc1 96449975 DIRVTPKZJSISEQ-NSHDSACASA-N 220.316 2.403 0 40 BEAB OCC12CC3C[C@@H](C1)C(F)(F)[C@@H](C3)C2 100079612 FUGCZPLJOOCMNN-ZNHWEVIXSA-N 202.244 2.440 0 40 BEAB in-vitro O=C1CCCCC[C@H]1C(=O)C(F)(F)F 100133212 WMDLGLZRZCXLSM-ZCFIWIBFSA-N 208.179 2.267 0 40 BEAB COC(=O)c1cc(C)n(Cc2ccccn2)c1C 120092973 IDAZSUVIYUMMJI-UHFFFAOYSA-N 244.294 2.335 0 40 BEAB O=C(O)c1cc(-c2cc(F)c(F)c(F)c2)on1 145983515 ODJRHZJKFHNCMV-UHFFFAOYSA-N 243.140 2.457 0 40 BEAB CSc1cccc(-n2cc([C@@H](C)O)nn2)c1 163363751 NLSJJFXLDLMWSD-MRVPVSSYSA-N 235.312 2.043 0 40 BEAB CC(C)(C)c1ccc2nc(CO)[nH]c2c1 204827948 LFAANLXFJBEWPR-UHFFFAOYSA-N 204.273 2.353 0 40 BEAB CN1CCCC[C@@H]1CCNC(=O)c1ccccc1 205672029 DTUZNDGIQVNSLL-CQSZACIVSA-N 246.354 2.291 0 40 BEAB Cc1ccc(CN2CCN[C@@H]3CCC[C@H]32)cc1 218841184 SEBNHSQPYQEASB-HUUCEWRRSA-N 230.355 2.321 0 40 BEAB Cc1cccc(N(C)[C@@H](C)C(=O)O)c1C 224981708 XSOUPBVAJSIMLE-JTQLQIEISA-N 207.273 2.213 0 40 BEAB COc1ccc(C[C@H](OC(C)C)C(=O)O)cc1 225103259 VVPIIVCFNBECEZ-LBPRGKRZSA-N 238.283 2.116 0 40 BEAB N[C@H](c1ncccc1Cl)C(F)(F)F 238635956 WEZUHRTZHOSAPV-ZCFIWIBFSA-N 210.586 2.297 0 40 BEAB COc1nc2c(Cl)cccc2cc1N 685937120 LAORPECJCCJLOK-UHFFFAOYSA-N 208.648 2.479 0 40 BEAB Cc1ccc2c(c1)C(C)(C)[C@H](C)N2CCC(N)=O 38031 WNCSSGVZGHWWRX-NSHDSACASA-N 246.354 2.357 0 40 BEAB O=C(/C=C/c1ccccc1)Nc1ncccn1 243347 CQXHRJBWOYRCJL-BQYQJAHWSA-N 225.251 2.129 0 40 BEAB O=C(c1cccs1)c1cnc2ncccn12 4248580 JFFDOFZMOIRDMX-UHFFFAOYSA-N 229.264 2.022 0 40 BEAB COc1cc(C)c(C(=O)CCC(=O)O)cc1C 4943448 PIIITSKFNJDVGN-UHFFFAOYSA-N 236.267 2.360 0 40 BEAB COc1ccc(NC(=O)Cc2ccccc2)cn1 6122749 VIOXEJGYJLWFDX-UHFFFAOYSA-N 242.278 2.271 0 40 BEAB Cc1cccnc1CNCc1cccnc1 6677764 YFUDXQVFXPHXEL-UHFFFAOYSA-N 213.284 2.075 0 40 BEAB CCc1c(C(=O)O)cnn1-c1ccccc1C 6773747 AVZPWBCRJATGNN-UHFFFAOYSA-N 230.267 2.441 0 40 BEAB in-vitro O=C(NC1=NCCS1)c1ccc2c(c1)CCC2 8338355 XSWHCVYDAXWOMH-UHFFFAOYSA-N 246.335 2.008 0 40 BEAB CC[C@@H](N[C@H]1C=Cc2ccccc21)C(=O)O 8730599 IQHUSHSXPCEVKW-NEPJUHHUSA-N 217.268 2.207 0 40 BEAB CCC[C@H](Nc1cccc(F)c1)C(=O)O 8730658 WPBBATUEMGXISK-JTQLQIEISA-N 211.236 2.491 0 40 BEAB C[C@@H]1Cc2cc(/C=C/C(=O)O)ccc2O1 9237854 LEVLLAUMDRPDCY-RYEJSQLPSA-N 204.225 2.108 0 40 BEAB COc1cccc2[nH]c(C(=O)n3ccnc3)cc12 13692708 KVCZCNUNOCVNIE-UHFFFAOYSA-N 241.250 2.062 0 40 BEAB S=C(Nc1cnccn1)NC1CCCCC1 13784807 BHXULUIDAAINEJ-UHFFFAOYSA-N 236.344 2.096 0 40 BEAB Cc1ccnc(NC(=S)NC2CCCC2)n1 13786256 NWNLZPFELWIQRR-UHFFFAOYSA-N 236.344 2.014 0 40 BEAB CCCNC(=O)Nc1ccc(F)cc1F 18177911 LVHZQQIAWFWZHM-UHFFFAOYSA-N 214.215 2.496 0 40 BEAB Cc1ccc(CNC(C)(C)CO)c(C)c1 20196183 JLDOHVWSAQARCJ-UHFFFAOYSA-N 207.317 2.164 0 40 BEAB O=C(O)CCCc1nc2ccccc2o1 20423213 UALGCDDZSUXDFW-UHFFFAOYSA-N 205.213 2.235 0 40 BEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1O 22016180 FQLSWIFMDRKOJV-UHFFFAOYSA-N 235.239 2.059 0 40 BEAB Nc1nc(N2CCCC2)ncc1-c1ccccc1 22126426 BXNYTNHMBJVQNZ-UHFFFAOYSA-N 240.310 2.326 0 40 BEAB CC(=O)C[C@](N)(c1ccccc1)C(F)(F)F 32629052 DRMRVGAOPWTKPZ-JTQLQIEISA-N 231.217 2.382 0 40 BEAB COc1cc(OC)cc(C2(CN)CCCC2)c1 33487095 XAUVNNLPQLHHRW-UHFFFAOYSA-N 235.327 2.474 0 40 BEAB Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1 36392832 MSPQVTFFZCBWQX-UHFFFAOYSA-N 231.295 2.237 0 40 BEAB CNC1CCN(c2cccc(F)c2)CC1 37240161 GNDRPUJYVZLJFP-UHFFFAOYSA-N 208.280 2.014 0 40 BEAB in-vitro CC(C)C(=O)N[C@H](C)Cc1cccs1 38935391 UDXUENGTHMUETK-SECBINFHSA-N 211.330 2.451 0 40 BEAB CCC(C)(C)NC(=O)c1cn2ccccc2n1 40161731 FUPAZDAKKQMJEJ-UHFFFAOYSA-N 231.299 2.253 0 40 BEAB Cc1cccc(OCCN2C[C@H](C)O[C@H](C)C2)c1 40161791 IMIYYNWKYBWOJH-OKILXGFUSA-N 249.354 2.483 0 40 BEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1cccn1 40496962 VKPKOVXGEYVTHX-UTUOFQBUSA-N 235.331 2.139 0 40 BEAB Cc1cccc(C[C@@H](C(=O)O)N2CCCCC2)c1 41299176 WDXBLXKRUWIMSR-AWEZNQCLSA-N 247.338 2.477 0 40 BEAB Cn1ccc(NC(=O)CCc2ccccc2F)n1 52528453 JIPFMSBZSMKDBB-UHFFFAOYSA-N 247.273 2.131 0 40 BEAB Cc1ccn(-c2ccc(C(=O)O)c(C)c2)n1 52884572 OMQLIKDZZKPMRN-UHFFFAOYSA-N 216.240 2.187 0 40 BEAB CC[C@H](OC)C(=O)Nc1cc(C)ccc1F 58046375 OZRIZCMZCKCPCR-NSHDSACASA-N 225.263 2.498 0 40 BEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccnc2)c1 69491523 WYCRWWYXPPPNQA-OLZOCXBDSA-N 244.342 2.326 0 40 BEAB Cc1cnn(C[C@@H](C)NCCc2cccs2)c1 69923268 WIXFVQIZHNCSQG-GFCCVEGCSA-N 249.383 2.474 0 40 BEAB CCC(=O)c1ccc(N(C)CC)nc1C 72224275 QKDPFWLBXFXNSF-UHFFFAOYSA-N 206.289 2.439 0 40 BEAB OCc1ccc(Nc2ccccc2)nc1 72225296 KAWANEQQGPTVPU-UHFFFAOYSA-N 200.241 2.318 0 40 BEAB O=Cc1cn2cc(C(F)(F)F)ccc2n1 74139976 WMVIFQVYSDQDTO-UHFFFAOYSA-N 214.146 2.166 0 40 BEAB CC(C)[C@H](c1ccccc1)N(C)CC(=O)O 82718253 SJWXTVQPPWXIII-CYBMUJFWSA-N 221.300 2.400 0 40 BEAB COC(=O)C(C)(C)NCc1cccc(Cl)c1 84139941 XJEUZMVTLKHURD-UHFFFAOYSA-N 241.718 2.381 0 40 BEAB O=C(O)c1ccc([C@@H]2CCCCC2=O)nc1 85400063 GPWJZASFCVWWAY-VIFPVBQESA-N 219.240 2.007 0 40 BEAB CC(C)[C@@H](N)c1nc2cnccc2n1C1CC1 88866290 DODRXJUACMFNOC-GFCCVEGCSA-N 230.315 2.422 0 40 BEAB CC(C)(C)OC(=O)N1CCc2c(CN)cccc21 89209463 OCAHAEBOBODBIL-UHFFFAOYSA-N 248.326 2.443 0 40 BEAB in-vitro Cc1nsc(N2CCC[C@@H](C)CC2)n1 89721355 SKHCOBTWCXTMMX-MRVPVSSYSA-N 211.334 2.473 0 40 BEAB CCc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)o1 90842737 ALJKWCWQVGRCRA-KCWFYHRYSA-N 243.372 2.260 0 40 BEAB Clc1ncnc2sc3c(c12)CCOC3 91692744 HKZVSDJGXPNVPT-UHFFFAOYSA-N 226.688 2.417 0 40 BEAB O=c1[nH]c(C2CCC2)nc2sccc12 95095602 JDVJZPSKQWIHKD-UHFFFAOYSA-N 206.270 2.252 0 40 BEAB C[C@@H](CO)SCc1noc2c1CCCC2 96430340 ROSITPFIOWIQCW-QMMMGPOBSA-N 227.329 2.167 0 40 BEAB C[C@H](NN)c1ccc(C(F)(F)F)cc1F 199535598 WUWZLJBONWLMKC-YFKPBYRVSA-N 222.185 2.369 0 40 BEAB COc1cc(C)c(O)cc1Br 215480212 HSVSSQZFFVVJOP-UHFFFAOYSA-N 217.062 2.472 0 40 BEAB N[C@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 218884851 SGLYJMFKFVWGQM-QWRGUYRKSA-N 212.243 2.257 0 40 BEAB COC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccccn1 225427670 XILYHENRCOTOGI-NQBHXWOUSA-N 248.326 2.074 0 40 BEAB Cn1cc(Oc2nc(C(C)(C)C)ns2)cn1 225712878 WMRIFJDEZPAKKC-UHFFFAOYSA-N 238.316 2.361 0 40 BEAB CCOC(=O)[C@H]1CCC[C@@H]2O[C@@H](C)C[C@@H]21 225760244 TWTPKDUTNOWMNE-MMWGEVLESA-N 212.289 2.143 0 40 BEAB Nc1ccnc(N2CCc3ccccc3C2)c1 1491952 AZKCYSCBPAJCPT-UHFFFAOYSA-N 225.295 2.227 0 40 BEAB in-vitro O=C(O)c1ccc([C@@H]2CCCC[C@H]2O)cc1 1748063 MNOUEENIDCJOOZ-NWDGAFQWSA-N 220.268 2.403 0 40 BEAB CC(=O)c1c(O)ccc2ccc(O)cc12 3161482 ZOYVGUWHHQKHID-UHFFFAOYSA-N 202.209 2.454 0 40 BEAB Cc1ccc(S(=O)(=O)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)cc1 5049113 WZMYWJSCBABHMM-UXDVACKXSA-N 248.347 2.423 0 40 BEAB COc1cc(C=O)ccc1OCc1cccnc1 8702322 VZYZVGNHYRCJMU-UHFFFAOYSA-N 243.262 2.482 0 40 BEAB O=C1N=C(Nc2ccccc2O)CS1 12408857 GVPYEOBFNFOPEE-UHFFFAOYSA-N 208.242 2.069 0 40 BEAB CCC(=O)Nc1ccc2c(c1)OCCCO2 12978111 IUOFTLMIVDYRCR-UHFFFAOYSA-N 221.256 2.196 0 40 BEAB Cc1ccc(NC(N)=O)c(Br)c1 19262821 ZINLYDLRNMYDCZ-UHFFFAOYSA-N 229.077 2.248 0 40 BEAB COc1ccc(OC)c(N2CCCC2=N)c1 20443924 ANHFSPOAEZFLHD-UHFFFAOYSA-N 220.272 2.281 0 40 BEAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1 32012605 MCDIIVJZXXFTDP-GZMMTYOYSA-N 211.692 2.389 0 40 BEAB in-vitro Cc1ccc(Cc2nnc(=S)[nH]c2O)cc1 32604263 SJJVYWQIVKZVMX-UHFFFAOYSA-N 233.296 2.139 0 40 BEAB O=C(C1CC1)N1CCC[C@@H]1c1ccncc1 32902254 ROHNVXNOPNKUBA-GFCCVEGCSA-N 216.284 2.155 0 40 BEAB Nc1cccc(-c2noc(C3CC3)n2)c1 32918079 JDJSUDGVNKNTBR-UHFFFAOYSA-N 201.229 2.196 0 40 BEAB in-vitro CC(=O)N[C@@H](C(=O)O)c1cccc2ccccc12 33962271 KLRUNOLBCBCQSE-CYBMUJFWSA-N 243.262 2.102 0 40 BEAB Cc1cc(Cl)ccc1O[C@@H]1CCNC1 36142113 XRUFQYARQASCJY-SNVBAGLBSA-N 211.692 2.389 0 40 BEAB C[C@H]1C[C@@H](N2CCCc3ccccc32)C(=O)O1 36396611 YWQFJMKZRJTAKW-GXFFZTMASA-N 231.295 2.143 0 40 BEAB CCCOc1ccccc1[C@@H](C)NC=O 36562487 ITVOOKSWYVGJFF-SNVBAGLBSA-N 207.273 2.282 0 40 BEAB C1CC[C@H]2CN(C[C@@H]3CCCNC3)CC[C@@H]2C1 36810194 RSFGURGCIUVVEK-ILXRZTDVSA-N 236.403 2.498 0 40 BEAB O=C(CC[C@H]1CCCO1)NC1CCCC1 40506038 SHYLECRZJOFRKY-LLVKDONJSA-N 211.305 2.004 0 40 BEAB CN(C(=O)Nc1cn[nH]c1)C(C1CC1)C1CC1 51191559 DUCOSUILZPXPTA-UHFFFAOYSA-N 234.303 2.062 0 40 BEAB CC[C@@H](C(=O)O)N(CC)c1ccccc1 59970968 UGLKELFAAGRJGP-NSHDSACASA-N 207.273 2.376 0 40 BEAB COc1cc(CNCC(C)C)cc2c1OCO2 72659038 CBYVOKMVPONEKJ-UHFFFAOYSA-N 237.299 2.170 0 40 BEAB O=C(O)c1csc(-c2ncccc2F)n1 75879381 KNLXDRWBMCSBJL-UHFFFAOYSA-N 224.216 2.042 0 40 BEAB in-vitro Brc1c[nH]nc1-c1nccs1 83142834 SCMPDQDVFAIXRB-UHFFFAOYSA-N 230.090 2.296 0 40 BEAB in-vitro Cc1nc(CNc2ccc(F)cc2C)no1 84501495 BEQHQHCAWNRAJH-UHFFFAOYSA-N 221.235 2.438 0 40 BEAB COc1cccc(OCC2(C(=O)O)CCC2)c1 85390480 UAXAGGDXGZQBHD-UHFFFAOYSA-N 236.267 2.329 0 40 BEAB Cn1ccnc1CC(=O)c1ccc(Cl)cc1 86486067 IZUJXVRZYDUZJT-UHFFFAOYSA-N 234.686 2.499 0 40 BEAB C[C@](N)(CO)c1cc(Cl)cc(Cl)c1 95759792 AKWBIZPYSIOVLX-VIFPVBQESA-N 220.099 2.160 0 40 BEAB CCCn1cc(CNc2nc(C3CC3)no2)cn1 97045547 OKTLISROGFMCGT-UHFFFAOYSA-N 247.302 2.166 0 40 BEAB C[C@@H]1CCCC[C@H]1CNCCn1ccnc1 97086459 WWRLDQQCOFBPJO-OLZOCXBDSA-N 221.348 2.299 0 40 BEAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 100986579 MOABDNRPQYWPMS-IJLUTSLNSA-N 207.317 2.435 0 40 BEAB CC[C@@H](C)NC(=O)C1(c2ccc(N)cc2)CC1 125943249 KJYCOESRCPFCIR-SNVBAGLBSA-N 232.327 2.215 0 40 BEAB C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)CC[C@H]1C 129767097 QNBVJVUNGNGMDR-YRGRVCCFSA-N 246.354 2.191 0 40 BEAB CCO[C@@H](CN)Cc1ccc(Cl)cc1 168222979 WRVVQMHGTVQXDV-LLVKDONJSA-N 213.708 2.246 0 40 BEAB CCOC(=O)Cc1c[nH]c2c(F)cccc12 222372327 JLVWAIDILDMPQZ-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB C[C@H]1Nc2ccccc2[C@H](C)[C@@H]1C(=O)O 225816831 QVQNTCOQTCPKLU-RNSXUZJQSA-N 205.257 2.305 0 40 BEAB COc1cc(F)cc(Br)c1C=O 258833620 KVQJVHPZVYQYIY-UHFFFAOYSA-N 233.036 2.409 0 40 BEAB CCOc1ccc(C(=O)OC)cc1CC 642814425 IDRLYMJJDRARRM-UHFFFAOYSA-N 208.257 2.434 0 40 BEAB COC1(Cn2ncc3ncccc32)CCC1 664071365 QPUWODJVVRFHKZ-UHFFFAOYSA-N 217.272 2.000 0 40 BEAB COc1cc(F)ccc1[C@H](O)C(F)(F)F 1536101986 GEBYGTZGZLDPHT-QMMMGPOBSA-N 224.153 2.430 0 40 BEAB Nc1c(C(=O)O)cc(Cl)nc1-c1cccnc1 1857794176 IFJIAZPRFKJUMU-UHFFFAOYSA-N 249.657 2.077 0 40 BEAB Cc1ncn(-c2ccccc2Br)n1 2362801532 KPPANLXKXAHIOJ-UHFFFAOYSA-N 238.088 2.338 0 40 BEAB OCc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 525792 FUAJLBSACXGZLD-ZDUSSCGKSA-N 242.322 2.114 0 40 BEAB biogenic O=C1CCCc2nc(-c3ccncc3)ncc21 1096701 RWYOZVRFGZXUNQ-UHFFFAOYSA-N 225.251 2.058 0 40 BEAB O=C1NCCN1c1cccc(C(F)(F)F)c1 1390637 UETRQBHZYSRHHM-UHFFFAOYSA-N 230.189 2.235 0 40 BEAB in-vitro CC(=O)NC(C(=O)Nc1ccccc1)=C(C)C 1593821 PIYMNHGXWYLIJA-UHFFFAOYSA-N 232.283 2.055 0 40 BEAB CC(C)NC(=O)c1c(Cl)nc2sccn12 3230767 FHUITYMRGVICLD-UHFFFAOYSA-N 243.719 2.187 0 40 BEAB COc1cccc([C@H]2CCCN2)c1OC 3732286 OEHUXEOLUCUQPE-SNVBAGLBSA-N 207.273 2.128 0 40 BEAB O=c1cc[nH]c2c1cnn2-c1ccc(Cl)cc1 3852616 GUZQTOHGFXWJIY-UHFFFAOYSA-N 245.669 2.367 0 40 BEAB CC1=C(C=NNC(N)=O)[C@@H](C)c2ccccc21 4266755 PRCIILUEVISNEC-QMMMGPOBSA-N 229.283 2.231 0 40 BEAB biogenic C[C@H]1CC(C)(C)N[C@@H]([C@@H]2CCC=CO2)O1 4803878 WEKSFFIEUWLTHJ-GARJFASQSA-N 211.305 2.182 0 40 BEAB Cc1cnc(C(=O)Nc2ccc(F)cc2C)cn1 6260301 HYWZNNKSPZYQAD-UHFFFAOYSA-N 245.257 2.485 0 40 BEAB O=C(Nc1nccs1)[C@@H]1CC=CCC1 8428900 BQFZGTDKJXHBIO-MRVPVSSYSA-N 208.286 2.438 0 40 BEAB C/C=C\Cc1ccc(OCC(=O)O)cc1 17328436 OXIFLECLSFRBKV-IHWYPQMZSA-N 206.241 2.269 0 40 BEAB O=C(Cn1cccn1)Nc1cccc(Cl)c1 32491998 GSWNLEYXWADYLC-UHFFFAOYSA-N 235.674 2.175 0 40 BEAB Cc1cccc([C@@H]2CCCN2CCN)c1 32553276 XNAJNSLEVJKKIS-ZDUSSCGKSA-N 204.317 2.091 0 40 BEAB Cc1nn(C)c2ncc(NC(=O)C3CCC3)cc12 32899783 WQYRZHOXLHEUJL-UHFFFAOYSA-N 244.298 2.015 0 40 BEAB O=C(NCC1CC1)c1ccn(-c2ccccc2)n1 32914437 MMMSJSXDYHEIKU-UHFFFAOYSA-N 241.294 2.012 0 40 BEAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)C(C)C 36398071 BTDPXYAAJABFCB-QROSGCPLSA-N 249.358 2.211 0 40 BEAB CC1(C)CO[C@H](c2cccc(F)c2)CN1 36673024 MVNHMIHGVNHOFP-NSHDSACASA-N 209.264 2.265 0 40 BEAB COc1ccc(/C=C/C(=O)O)c(F)c1F 39712923 KSQQVCSWUHCHLA-HWKANZROSA-N 214.167 2.071 0 40 BEAB CC[C@@H]1CN(C(=O)c2sccc2C)CCO1 40062968 JIUMOFBUXSXDCH-SNVBAGLBSA-N 239.340 2.308 0 40 BEAB COCc1ccccc1CNC(=O)C(C)(C)C 40071001 KNBMJLNNWHWKOQ-UHFFFAOYSA-N 235.327 2.495 0 40 BEAB Fc1cc(F)cc(Cc2nc(Cl)n[nH]2)c1 40162940 DRIXAADMOUTEBK-UHFFFAOYSA-N 229.617 2.327 0 40 BEAB Cc1cccnc1NC(=O)NCc1ccco1 42840211 BCEVQJAMSHFLFJ-UHFFFAOYSA-N 231.255 2.305 0 40 BEAB CCOC(=O)[C@H](C)n1nc(C)c(CC)c1C 47218795 YTGIDAVTNPREAJ-JTQLQIEISA-N 224.304 2.186 0 40 BEAB Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)no1 48278725 IZPNRBBBLQGVBD-SECBINFHSA-N 234.255 2.375 0 40 BEAB CC[C@@H](C)c1noc(C2CCNCC2)n1 57340771 YTIZVSRZMKIRQN-MRVPVSSYSA-N 209.293 2.050 0 40 BEAB CSC1=N[C@H](C)C[C@@H](O)N1c1ccccc1 59366418 PUNFJHGYHPNAMG-MWLCHTKSSA-N 236.340 2.323 0 40 BEAB COc1cccc([C@H](N)C(F)(F)F)c1OC 72190782 KYTLOKGMNHPXNX-VIFPVBQESA-N 235.205 2.266 0 40 BEAB COc1cccc(OC)c1[C@H]1CCCCN1C=O 72221451 ZYDOIGJQLJKBJJ-LLVKDONJSA-N 249.310 2.387 0 40 BEAB COc1cc(C)c([C@H](O)c2ccccc2)cn1 72222981 OQILEJGLYQEGRG-CQSZACIVSA-N 229.279 2.480 0 40 BEAB C[C@@](O)(c1ccc(C(=O)O)cc1)C(F)(F)F 75846323 BEPLLUQZLHVCMW-SECBINFHSA-N 234.173 2.155 0 40 BEAB COc1ccc(C(=O)C2(C(C)=O)CC2)cc1OC 77419970 MLXFUZFPGACHDO-UHFFFAOYSA-N 248.278 2.256 0 40 BEAB NC(=O)N1CCC[C@H]1c1cccc(F)c1 77632512 YSEGTFIIMDFOSD-JTQLQIEISA-N 208.236 2.041 0 40 BEAB Cn1cnnc1-c1ccc(Br)cc1 82549084 KXFOSWNDIGHBCX-UHFFFAOYSA-N 238.088 2.245 0 40 BEAB CCOc1ccc(OC2(C(=O)OC)CC2)cc1 85392799 HLFBPHSGEDGASL-UHFFFAOYSA-N 236.267 2.170 0 40 BEAB Clc1ncc(Br)c(NC2CC2)n1 85786837 IFOGHSMNFWOYMI-UHFFFAOYSA-N 248.511 2.467 0 40 BEAB Nc1n[nH]c2ccc(OC(F)(F)F)cc12 89195891 LHIUAXVMIROTSH-UHFFFAOYSA-N 217.150 2.044 0 40 BEAB C[C@H](C[C@@H](O)c1ccco1)NCc1cccn1C 95448844 IYEFJRIFQICJPC-DGCLKSJQSA-N 248.326 2.220 0 40 BEAB CCOc1cccc(CS[C@H](C)[C@@H](C)O)n1 96501859 RTIVVQCNMHZMME-NXEZZACHSA-N 241.356 2.483 0 40 BEAB CCS(=O)(=O)/C=C/c1ccccc1F 96510045 OCGLZISIJFNXKO-BQYQJAHWSA-N 214.261 2.231 0 40 BEAB Fc1cc2c(c(-c3cnco3)c1)OCOC2 97463381 SOWHLCPBYTZKTM-UHFFFAOYSA-N 221.187 2.347 0 40 BEAB CO/C=C(\F)C(=O)Nc1cccc(F)c1 98175034 AOANKWYCJCOTEW-TWGQIWQCSA-N 213.183 2.222 0 40 BEAB CCCCCCNCc1cn(C)nc1C 125919657 DIMZCVAPNSQACT-UHFFFAOYSA-N 209.337 2.398 0 40 BEAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)CCN 195542331 XEJLGNQNPPBTJH-LBPRGKRZSA-N 246.354 2.335 0 40 BEAB Cc1cccc(CN2C(=O)CSC2=O)c1 196373934 OPTABBIXIWRMIW-UHFFFAOYSA-N 221.281 2.190 0 40 BEAB C[C@@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C[C@@H]1O 217891933 UTINLICILIBKRJ-VDDIYKPWSA-N 229.320 2.061 0 40 BEAB COC(=O)[C@@H]1CCc2c1c1ccccc1n2C 217910274 FZYLSYAWGGVNCU-SNVBAGLBSA-N 229.279 2.381 0 40 BEAB CC1(C)CC(=O)[C@H]2C(C(C)(C)C)=NN[C@@H]2C1 228930850 BXRDAEJKVFXXOJ-SCZZXKLOSA-N 222.332 2.366 0 40 BEAB C1CC[C@H]2CN(CC3CCNCC3)CC[C@H]2C1 242390317 AKHRXOPFAVJESK-CABCVRRESA-N 236.403 2.498 0 40 BEAB c1cnnc(N2CCC[C@@]3(CCSC3)C2)c1 578604315 GNBNXIMEDQWQML-GFCCVEGCSA-N 235.356 2.200 0 40 BEAB CC(C)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 80107 QVTRQASQYBGQIK-LBPRGKRZSA-N 246.310 2.153 0 40 BEAB CC[C@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 218092 KZLUGLBSRLDCHB-ONGXEEELSA-N 246.310 2.027 0 40 BEAB COc1ncnc2c1[nH]c1ccc(F)cc12 327030 TUHIVTRFRSFSQP-UHFFFAOYSA-N 217.203 2.259 0 40 BEAB Cc1cc(=O)oc(C)c1C(=O)N1CCCCCC1 506162 RZKJDHFKDCYBOS-UHFFFAOYSA-N 249.310 2.273 0 40 BEAB Cc1ccc(-c2cnc(N)n2C)cc1C 873798 UKZVQTXBNUIHDK-UHFFFAOYSA-N 201.273 2.286 0 40 BEAB aggregator N[C@@H](c1ccccc1)[C@@H](O)c1ccc(O)cc1 1668350 YQLYRTPHCSXQLY-KBPBESRZSA-N 229.279 2.126 0 40 BEAB CCc1c(O)[nH]c2cc(Cl)ccc2c1=O 2557564 DWLYXFDJRCFUND-UHFFFAOYSA-N 223.659 2.450 0 40 BEAB CCCCC[C@@H](O)/C=C/[C@H](C)C(=O)OC 4825791 PKOPGYCMWCGUFR-CJUJNCCTSA-N 214.305 2.293 0 40 BEAB Cc1cccc(NS(=O)(=O)C(F)(F)F)c1 4865518 CGAZDHMQNDKZST-UHFFFAOYSA-N 239.218 2.257 0 40 BEAB CCCCCS(=O)(=O)Nc1cccc(O)c1 19681007 RQNHPZGKYIJQBR-UHFFFAOYSA-N 243.328 2.324 0 40 BEAB COc1ccccc1CNCc1cn(C)nc1C 20349148 WKCJGGADLDBBFM-UHFFFAOYSA-N 245.326 2.027 0 40 BEAB CN(C)c1ccc(NC(=O)C[C@@H]2C=CCC2)cn1 24115487 DLDJNEVEWNLTQY-LLVKDONJSA-N 245.326 2.442 0 40 BEAB COc1ccc(NC(=O)N2CCSC2)cc1 28232203 AQQLIPAXLIKROJ-UHFFFAOYSA-N 238.312 2.233 0 40 BEAB COc1cnc(-c2ccncc2)nc1Cl 29753804 TVYLSRDFWJSOQA-UHFFFAOYSA-N 221.647 2.201 0 40 BEAB Cc1cc(-c2cccc(F)c2F)nc(N)n1 32578249 VFEDURUSSRGJCK-UHFFFAOYSA-N 221.210 2.312 0 40 BEAB CCCCC(=O)N[C@H]1CCCc2c1cnn2C 32828205 SGBDFPRXICNLJX-NSHDSACASA-N 235.331 2.104 0 40 BEAB Cc1oc(C)c(C(=O)N2CCO[C@H](C)C2)c1C 32873787 KATCEKFJPLVTQJ-MRVPVSSYSA-N 237.299 2.066 0 40 BEAB C1CC(NC2CCN(C3CC3)CC2)CCS1 35054451 TZKQQZKIAJVKRX-UHFFFAOYSA-N 240.416 2.098 0 40 BEAB C[C@H](CC(=O)N1CCC(O)CC1)CC(C)(C)C 35611817 GGYQZOYDEKJSOK-LLVKDONJSA-N 241.375 2.432 0 40 BEAB O=C(NCc1ccc(F)cc1)N1CCCC1 36398006 WEMYLJMBIZZVOT-UHFFFAOYSA-N 222.263 2.131 0 40 BEAB CCOC(=O)CCN[C@H]1CCCC[C@H]1C 36667565 XKHGOPJHZZPKGU-MNOVXSKESA-N 213.321 2.108 0 40 BEAB O=C(Cc1ccc2c(c1)CCCC2)NC1CC1 36686272 QNIMOCRLJKAQIE-UHFFFAOYSA-N 229.323 2.387 0 40 BEAB CCCS(=O)(=O)Nc1ccccc1Cl 45929317 SODRJQBPSAAVAT-UHFFFAOYSA-N 233.720 2.492 0 40 BEAB CCOC(=O)c1cc(F)ncc1Br 47203044 QQEXNULDCYCOED-UHFFFAOYSA-N 248.051 2.160 0 40 BEAB in-vitro CCSc1ccc(NC(=O)[C@H](C)OC)cn1 49495257 HMVMPDMKXZSZOT-QMMMGPOBSA-N 240.328 2.167 0 40 BEAB Cc1[nH]ncc1CCCNC(=O)C1CCCCC1 50183571 KNAPPYHMWVVMCX-UHFFFAOYSA-N 249.358 2.347 0 40 BEAB c1cc(CN2CCC[C@H]2c2cc[nH]n2)ccn1 72187779 RRRRSFDVDUIIRA-ZDUSSCGKSA-N 228.299 2.142 0 40 BEAB CC(C)CCS(=O)(=O)c1ccc(C=O)cc1 72209810 ADAWJLVHNZYDHT-UHFFFAOYSA-N 240.324 2.319 0 40 BEAB Cc1nc(Cl)cc(-n2cccc2C=O)n1 72221323 BBAPZWWJRNEXMP-UHFFFAOYSA-N 221.647 2.042 0 40 BEAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccccc2)o1 72227356 UNDJYBILXHRWCS-CHWSQXEVSA-N 242.278 2.003 0 40 BEAB Cc1ccc(C)c(-c2noc(CCC(=O)O)n2)c1 75817329 RCMUIDTYBBCMSK-UHFFFAOYSA-N 246.266 2.371 0 40 BEAB Oc1ccc2cn[nH]c2c1Br 79565709 AGURCNORFYROIG-UHFFFAOYSA-N 213.034 2.031 0 40 BEAB COc1ccc(C)cc1NC(=O)c1cnco1 82326165 TXWLEXDMYYAMHQ-UHFFFAOYSA-N 232.239 2.244 0 40 BEAB COc1cccc(Cc2ccc(C(=O)O)[nH]2)c1 82346147 MOWYDQMHQCAJKC-UHFFFAOYSA-N 231.251 2.312 0 40 BEAB CCC[C@H]1CCCC[C@@H]1NC(=O)COCC 84740616 ISYWTVBTJQEQGZ-RYUDHWBXSA-N 227.348 2.498 0 40 BEAB O=C(CC1OCCO1)c1cc(F)c(F)c(F)c1 85652265 WKIOZZKBALIOQP-UHFFFAOYSA-N 246.184 2.050 0 40 BEAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccon1 89922479 ZCAVDMUAONDKEQ-FOGDFJRCSA-N 234.299 2.468 0 40 BEAB O=Cc1cccc(F)c1N1CC(F)(F)C1 95081221 NESHJFLTXIPIOK-UHFFFAOYSA-N 215.174 2.094 0 40 BEAB CCc1ccccc1NC(=O)C1CC(=O)C1 95451411 ZHEWHQZOOXJGFO-UHFFFAOYSA-N 217.268 2.167 0 40 BEAB CC1(C)[C@]2(C)CC[C@@]1(N)[C@H]2Br 109275241 BMTYUXQSZCZYBW-NBEYISGCSA-N 218.138 2.287 0 40 BEAB CCOC(=O)c1ncc(-c2cccnc2)s1 199567660 KXLRYFRJBONODC-UHFFFAOYSA-N 234.280 2.382 0 40 BEAB CN1C(=O)CC[C@]12CCc1ccccc12 220211679 XILFWPPNQMHZFV-ZDUSSCGKSA-N 201.269 2.080 0 40 BEAB CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CO 238160206 BNMWVRRRNYUWBT-LBPRGKRZSA-N 229.320 2.158 0 40 BEAB N#Cc1cnccc1Oc1cccc(CO)c1 399502539 KABRMBNSSOMZKD-UHFFFAOYSA-N 226.235 2.238 0 40 BEAB Cc1cc(CN(C)[C@H]2CCC[C@@H]2F)no1 585386186 UZKNOWWXJMGRMS-QWRGUYRKSA-N 212.268 2.305 0 40 BEAB CCCC1CC(c2cc(C(=O)O)n[nH]2)C1 685937691 OJBOPPXJKFZUSK-UHFFFAOYSA-N 208.261 2.402 0 40 BEAB CCn1cncc1COC(=O)[C@H]1CC[C@@H](C)C1 1518049739 XFBHOOKGPKPGSZ-MNOVXSKESA-N 236.315 2.382 0 40 BEAB CCc1cnc(N(C)CCc2ccncc2)nc1 2298048810 NECNJZQRJMNPQM-UHFFFAOYSA-N 242.326 2.113 0 40 BEAB O=C(c1ccccc1)c1c(O)cc(O)cc1O 896127 CPEXFJVZFNYXGU-UHFFFAOYSA-N 230.219 2.034 0 40 BEAB biogenic,in-vitro Nc1nc(-c2ccccc2C(=O)O)cs1 1287898 DPPLJWSTECTTET-UHFFFAOYSA-N 220.253 2.091 0 40 BEAB CCCn1nnnc1-c1cccc(Cl)c1 1405257 OKIHZEJBYXVLFJ-UHFFFAOYSA-N 222.679 2.404 0 40 BEAB Cc1cc(C)n(-c2nc3ccccc3n2C)n1 1428762 LXIQGBYRPHTIQX-UHFFFAOYSA-N 226.283 2.376 0 40 BEAB COc1ccc(C(=O)[C@H]2CC[C@H](C(=O)O)C2)cc1 3589634 WKGLTBFKXDKKGA-QWRGUYRKSA-N 248.278 2.379 0 40 BEAB Cc1ccc(CN2CCCC[C@@H]2C(=O)O)s1 3755727 QFMYAXNGNWJVBF-LLVKDONJSA-N 239.340 2.496 0 40 BEAB CC(C)(C(=O)O)[C@@H](CC(=O)O)c1ccccc1 3843407 LGTSWNASWTXLDW-JTQLQIEISA-N 236.267 2.356 0 40 BEAB biogenic O=C(O)CNc1ccc2c3c(cccc13)CC2 4661620 MKCYNNHVLHLGCZ-UHFFFAOYSA-N 227.263 2.435 0 40 BEAB Cc1ccc2c(c1)[C@H](O)C[C@H](C)N2N=O 4673445 FLFNKEWNZOUJJU-GZMMTYOYSA-N 206.245 2.308 0 40 BEAB CCC(=O)OCCCC[C@@H]1CCCO1 4684002 VEPBZZNRLWQJDI-SNVBAGLBSA-N 200.278 2.289 0 40 BEAB CCN(CC)Cc1cccc(OC(C)=O)c1 4691873 CXSHTYFLRCKWTN-UHFFFAOYSA-N 221.300 2.454 0 40 BEAB CC1=NN(C(=N)c2ccccc2)[C@](C)(O)C1(C)C 5416562 YAGFHRMTEOSHRG-CQSZACIVSA-N 245.326 2.438 0 40 BEAB Cc1cc2cc3c(N)n[nH]c3nc2cc1C 5445974 XSYYLQJMAAYYFC-UHFFFAOYSA-N 212.256 2.310 0 40 BEAB c1ccc(-c2cc(-c3ccn[nH]3)[nH]n2)cc1 5532216 MWFLBUBUQRTZPW-UHFFFAOYSA-N 210.240 2.467 0 40 BEAB O=C1CCC2(CC1)Cc1ccccc1[C@@H]2O 5955509 IXTAMFDGXLKNTG-ZDUSSCGKSA-N 216.280 2.406 0 40 BEAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCO1 6330015 PWCCSBVGASZGNR-JTQLQIEISA-N 227.210 2.082 0 40 BEAB CCN(CC)c1ccc(C(C)=O)c(O)c1 6869585 XMGSEEVKZWXCFK-UHFFFAOYSA-N 207.273 2.441 0 40 BEAB Nc1nc(CN2CCCCC2)nc2ccccc12 7989008 RGUQIPYZEXPDMY-UHFFFAOYSA-N 242.326 2.198 0 40 BEAB CCOc1ccccc1/C=C/C(=O)NC1CC1 8034946 LVBBOOZIUFWKEL-JXMROGBWSA-N 231.295 2.377 0 40 BEAB Cc1ccc(-c2cnc(CCN)o2)cc1C 11587009 YBKUKGCNQAYDTG-UHFFFAOYSA-N 216.284 2.460 0 40 BEAB O=C(CSc1ccc(F)cc1)N1CCC1 12973358 LBLYGVRNCSSGKN-UHFFFAOYSA-N 225.288 2.150 0 40 BEAB C[C@H](Oc1cccc2c1CCCC2)C(=O)O 13609402 BYIZXCPIBNWEMR-VIFPVBQESA-N 220.268 2.417 0 40 BEAB Cc1ccc(-c2cnc3c(O)ncnc3n2)cc1 17111098 MMZDIWFKJFYRLQ-UHFFFAOYSA-N 238.250 2.101 0 40 BEAB COc1c(Cl)cc(Cl)cc1C(N)=O 20136263 KWZLAZUJRLIEFH-UHFFFAOYSA-N 220.055 2.101 0 40 BEAB Cc1cccc(OCC(=O)N2CCCC2)c1C 20417942 VYYHRVDGXORSIB-UHFFFAOYSA-N 233.311 2.305 0 40 BEAB CCCCc1nc(-c2cccnc2)no1 22130598 URFVQBJNLZUFMI-UHFFFAOYSA-N 203.245 2.474 0 40 BEAB Cc1c([C@@H](C)NC(=O)[C@@H]2CC=CCC2)cnn1C 25001346 ZRIWVJQQFSTCRO-ZYHUDNBSSA-N 247.342 2.262 0 40 BEAB CN[C@H](CO)c1ccc(Cl)cc1Cl 38121312 QPRVUKNTILVPGC-SECBINFHSA-N 220.099 2.246 0 40 BEAB CC(=O)c1ccccc1O[C@H]1CCCNC1 42775751 STBBPRHHLJENMN-NSHDSACASA-N 219.284 2.020 0 40 BEAB CCCS(=O)(=O)Nc1ccc(C)c(C)c1 45929278 MRSAUWWHSFGNRA-UHFFFAOYSA-N 227.329 2.455 0 40 BEAB CCN(CC)c1ccc(NC(=O)N(C)C)cn1 48173277 DVICVFDVQHUOCZ-UHFFFAOYSA-N 236.319 2.021 0 40 BEAB c1ccc2c(OC[C@@H]3CCCN3)ccnc2c1 51866499 LIHNICJZMLERGE-NSHDSACASA-N 228.295 2.366 0 40 BEAB Cc1cc(NCc2ccsc2)nc(N)n1 52129382 WATGTDHXZSWGRZ-UHFFFAOYSA-N 220.301 2.041 0 40 BEAB C[C@H]1CN(c2cccc3cnccc23)CCN1 61123541 CRWCGRCOXPDTBA-NSHDSACASA-N 227.311 2.033 0 40 BEAB in-vitro CCN1CCC(CNC(=O)OC(C)(C)C)CC1 67801228 QKIUAJDCHRNBFR-UHFFFAOYSA-N 242.363 2.243 0 40 BEAB Cc1ncsc1CN[C@H](C)c1nccn1C 70008385 IFVDGSVTKWBILZ-SECBINFHSA-N 236.344 2.036 0 40 BEAB Cc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c(C)c1 70075824 SVWZBLKGFIOGCX-STQMWFEESA-N 246.354 2.126 0 40 BEAB Nc1cccnc1-c1ccc2c(c1)OCCO2 71533647 SQTRVZFDMHCNIH-UHFFFAOYSA-N 228.251 2.102 0 40 BEAB COC[C@@H](C)NC(=O)N(C)[C@H](C)C(C)(C)C 71798664 VFIYYQPQQUKAOY-NXEZZACHSA-N 230.352 2.097 0 40 BEAB CC1(C(=O)N2CCC3(CC2)CC3)CCOCC1 71890411 FWNICNXLOFLIDK-UHFFFAOYSA-N 237.343 2.206 0 40 BEAB Cc1cc([C@@H]2CCCN2)cnc1N1CCCC1 72218782 DNXHITSWCCIYJQ-ZDUSSCGKSA-N 231.343 2.415 0 40 BEAB CCCCC[C@H]1NC(=O)c2ccccc2NC1=O 72323954 POKHSIRCEXSJBL-GFCCVEGCSA-N 246.310 2.317 0 40 BEAB biogenic CC(=O)N1CCC(Oc2ccccc2C)CC1 72351014 AYUAPVVJYIALPH-UHFFFAOYSA-N 233.311 2.385 0 40 BEAB Cc1ccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)n1C 76022906 XKZQIKIBJLZXBT-BETUJISGSA-N 244.338 2.372 0 40 BEAB Cc1cnc(N2C[C@H](C)C[C@@H](C)C2)c(N)c1 85425128 KVKOJSQHWRZHQZ-GHMZBOCLSA-N 219.332 2.455 0 40 BEAB Cc1cccc2sc(-c3nonc3N)nc12 85936519 WQSNBJJGLRPMPF-UHFFFAOYSA-N 232.268 2.237 0 40 BEAB O=C(c1ccccn1)N1C[C@H]2CCCC[C@@H]2C1 89878918 PWPVVAVHNDUVIK-VXGBXAGGSA-N 230.311 2.344 0 40 BEAB c1ccc(CN2CCOCC23CC3)cc1 91692857 FQCMCXAXQIYZGQ-UHFFFAOYSA-N 203.285 2.051 0 40 BEAB CCOC(=O)[C@H]1CCC[C@H]1NC1CCCC1 95919678 LXARRZSKDGTANC-NWDGAFQWSA-N 225.332 2.250 0 40 BEAB Cc1cccc(CN2CCCC[C@]23CCNC3)n1 96071165 AOCNDIUVWFKFLE-OAHLLOKOSA-N 245.370 2.108 0 40 BEAB COCCN(Cc1ccco1)c1ccnc(C)n1 97014714 KWIWMJCTSDLMIO-UHFFFAOYSA-N 247.298 2.031 0 40 BEAB C[C@H]1CN(Cc2cncs2)C(C)(C)CO1 97139475 YUCVMCRUUJAJJV-VIFPVBQESA-N 226.345 2.142 0 40 BEAB O=C(CCCn1cccc1)Nc1ccncc1O 97237577 LHCLXPRRVPDEIX-UHFFFAOYSA-N 245.282 2.008 0 40 BEAB Cc1cc(=O)[nH]cc1C(=O)N1CCCCCCC1 98019305 NJCCIBKQGRIVKM-UHFFFAOYSA-N 248.326 2.090 0 40 BEAB O=C(O)CCC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100243585 CKPYPBHTUFDNQS-WPMGSTCASA-N 224.300 2.183 0 40 BEAB CNC(=O)CSCc1ccc(F)c(Cl)c1 195576831 XUHDFTIJCKHGAS-UHFFFAOYSA-N 247.722 2.458 0 40 BEAB NNc1ccc(C(Cl)(Cl)Cl)cn1 199545471 DZTSLNJQKRKGDU-UHFFFAOYSA-N 226.494 2.194 0 40 BEAB CCn1cc(NCc2ccnn2C(F)F)cn1 256050132 CVNAUUUUCWVFMK-UHFFFAOYSA-N 241.245 2.107 0 40 BEAB c1c(C2CC2)nnn1C1CCSCC1 575622162 WZIQOBGAIAXWQE-UHFFFAOYSA-N 209.318 2.224 0 40 BEAB Cc1ccnc(OC[C@H]2CCCCO2)c1 585653886 ANJLOVLOFYZMNZ-LLVKDONJSA-N 207.273 2.338 0 40 BEAB Nc1cc2nc(C(F)F)cc(C(F)F)n2n1 1548918834 KAAIDCXDLUIQIS-UHFFFAOYSA-N 234.156 2.187 0 40 BEAB COC(=O)CCc1c[nH]c2cccc(F)c12 1857793135 SVCVLEWMRWUUSN-UHFFFAOYSA-N 221.231 2.413 0 40 BEAB Cc1ccc(C(=O)n2nc(C)cc2C)cc1 580501 HEOJUUBWUHRZMD-UHFFFAOYSA-N 214.268 2.497 0 40 BEAB CSC1=N[C@@H](c2ccc(F)cc2)C=NN1 800317 WDKHUNDESHUCDW-SECBINFHSA-N 223.276 2.175 0 40 BEAB O=C(/C=C/c1cccs1)N1CCCC1 3174453 SAQRFTXEEJESMY-AATRIKPKSA-N 207.298 2.384 0 40 BEAB C[C@@H]1CCCC2=C1[C@H](O)c1cccc(N)c1[C@@H]2O 5392876 MCDCWSCFBGBCNF-KBOAJJQZSA-N 245.322 2.466 0 40 BEAB CCCSc1nc2ccccc2c(=O)[nH]1 6645869 UGHOIXMJQBAWQL-UHFFFAOYSA-N 220.297 2.425 0 40 BEAB CNC(=O)CSc1ccc(C)c(C)c1 12866602 VETMPMUMGYYALM-UHFFFAOYSA-N 209.314 2.142 0 40 BEAB COc1ccccc1CNC(=O)NC1CCCC1 12985243 NQNOPCNMWFOQHQ-UHFFFAOYSA-N 248.326 2.437 0 40 BEAB Cc1ccc(NC(=O)[C@H]2CCCN2)cc1Cl 19411575 LSUOTUMUJFAPFB-LLVKDONJSA-N 238.718 2.339 0 40 BEAB Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)c(C)o1 27919351 ATMSCMXGFMMZMS-VIFPVBQESA-N 247.298 2.121 0 40 BEAB CC(C)[C@@H](N)[C@@H](O)c1ccc(Cl)cc1 32012873 NFBNILRAYFAGBW-MNOVXSKESA-N 213.708 2.357 0 40 BEAB CCC(=O)OCC(Cl)(Cl)Cl 32164999 MEFWWUOADZDECZ-UHFFFAOYSA-N 205.468 2.310 0 40 BEAB O=C(NCC1CC1)c1ccc(Br)o1 32906074 XLSHSPWJXFOBJK-UHFFFAOYSA-N 244.088 2.182 0 40 BEAB O[C@@H]1CC=C[C@H]1COCc1ccccc1 34206536 WACMQXMZXZTKIV-QWHCGFSZSA-N 204.269 2.140 0 40 BEAB in-vitro CCCN(CC1CC1)C(=O)[C@@H](N)CC(C)C 36200210 UUSQNMNSVNMAPY-LBPRGKRZSA-N 226.364 2.008 0 40 BEAB C[C@H](N[C@@H](C)C1CC1)c1nnc2ccccn12 36969076 HKLDDVPYJQNPNY-UWVGGRQHSA-N 230.315 2.178 0 40 BEAB CCN(CC)[C@@H](CN)c1cc(F)ccc1F 37233441 NYGAVQPQWVQGDN-LBPRGKRZSA-N 228.286 2.306 0 40 BEAB Brc1cnn(-c2cccnc2)c1 39260517 GEHXUIGDGPBAHL-UHFFFAOYSA-N 224.061 2.030 0 40 BEAB in-vitro Cc1ncsc1C(=O)N(C)Cc1ccco1 40529684 WPMXZTDLSBAFCP-UHFFFAOYSA-N 236.296 2.317 0 40 BEAB CN(C)C(=O)CSCc1ccc(F)cc1 41364764 XWAFWOICYKYDMQ-UHFFFAOYSA-N 227.304 2.147 0 40 BEAB CN(C)[C@H](CN)c1ccc(Cl)c(F)c1 43390184 BLNVVRGLGBAEKX-SNVBAGLBSA-N 216.687 2.041 0 40 BEAB CC(C)(C)C(=O)NCc1cccc(F)c1 45362066 RZKKNRJADPSVOK-UHFFFAOYSA-N 209.264 2.488 0 40 BEAB Cc1ncsc1C(=O)N(C)Cc1ccncc1 46744929 WAMXFSMXJXPCOM-UHFFFAOYSA-N 247.323 2.119 0 40 BEAB Fc1cccnc1-n1cc(Br)cn1 54701113 HURNEWQPLMWVDA-UHFFFAOYSA-N 242.051 2.169 0 40 BEAB C[C@@H](c1cccc(F)c1)N1CCC(O)CC1 56492917 XSXYJOZQXHRKFH-JTQLQIEISA-N 223.291 2.343 0 40 BEAB CC1(C)C[C@H](N)c2cc3nc[nH]c3cc21 57347033 IWWKLSDLLRWYGC-VIFPVBQESA-N 201.273 2.244 0 40 BEAB CCNC(=O)N(C)Cc1ccc(CC)cc1 57573351 FFRRBZXYXWCBQS-UHFFFAOYSA-N 220.316 2.410 0 40 BEAB COc1c(F)cc(F)cc1/C=C/C(=O)O 71867259 LCZJSDPZIJRCKT-NSCUHMNNSA-N 214.167 2.071 0 40 BEAB CNc1cccc([C@@H]2CCCN2C(=O)C(C)C)n1 72361255 WNOGXEZKJHSODU-LBPRGKRZSA-N 247.342 2.443 0 40 BEAB Oc1ccccc1-c1nc(C2CC2)n[nH]1 95532223 UDDJTFKPIIHCAT-UHFFFAOYSA-N 201.229 2.055 0 40 BEAB CCOC(=O)NC[C@@H](OC)c1ccccc1C 96104901 HLEANHNMLHUQDF-GFCCVEGCSA-N 237.299 2.429 0 40 BEAB C[C@@H](O[C@H]1CCNC1)c1ccccc1F 96529869 JOAPWZVBSXWBCB-ZJUUUORDSA-N 209.264 2.265 0 40 BEAB CC(C)(C)OC(=O)[C@H](O)CCc1ccccc1 113936588 BPVGMSZRMOLZLF-GFCCVEGCSA-N 236.311 2.322 0 40 BEAB in-vitro Cc1cccc(C)c1NC(=O)c1cccc(=O)[nH]1 235768288 RLTMFMKUMLGROY-UHFFFAOYSA-N 242.278 2.244 0 40 BEAB Fc1ccc(CNC[C@H]2CCCO2)s1 256050103 CRLYXWSYPKGLFN-MRVPVSSYSA-N 215.293 2.156 0 40 BEAB COc1cc2nc(O)cc(O)c2cc1Cl 257197956 OSPZQBWDCNFJIV-UHFFFAOYSA-N 225.631 2.308 0 40 BEAB C[C@H]1CN(CC2(F)CC2)CCN1c1ccncc1 895556528 JLEYLLFXSNPRCH-LBPRGKRZSA-N 249.333 2.094 0 40 BEAB Cc1cccc(-c2cnc(NC3CC3)nc2)n1 1888859211 AEUAEORPNVKZDZ-UHFFFAOYSA-N 226.283 2.421 0 40 BEAB CC(=O)O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C 1602659 CFWQOMWFLLALKD-VIFPVBQESA-N 243.347 2.269 0 40 BEAB COc1ccc(CC(=O)OC(C)C)cc1OC 1677889 CODDJUHMESRGNI-UHFFFAOYSA-N 238.283 2.198 0 40 BEAB Cn1cnnc1Sc1ccc(Cl)cc1N 3335957 ORIABKKRMMFJMW-UHFFFAOYSA-N 240.719 2.202 0 40 BEAB CCCC[C@@H](CC)CO[C@H]1CCS(=O)(=O)C1 5193395 QVNCMGGYBIYJIG-NEPJUHHUSA-N 248.388 2.407 0 40 BEAB C=CS[C@H](COC(=O)CC)OC(=O)CC 5417024 CEGWCDABOAURAO-SNVBAGLBSA-N 232.301 2.096 0 40 BEAB CCOc1ccc(-c2cc(N)[nH]n2)cc1OCC 5525829 VOCSPFTUTQFBJK-UHFFFAOYSA-N 247.298 2.456 0 40 BEAB CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 7007377 UKUPFXPDMYJYSN-UHFFFAOYSA-N 202.257 2.144 0 40 BEAB COc1ccc(C)cc1C[C@@H]1CCCN1 11630859 JBBOHENCLZKPLU-LBPRGKRZSA-N 205.301 2.298 0 40 BEAB Cn1cccc1C(=O)NCc1ccccc1F 13493574 RGLLVTXHSVIJPL-UHFFFAOYSA-N 232.258 2.094 0 40 BEAB CCn1nc(C(=O)Nc2ccccc2)cc1C 13703712 GYOJAUPBIHPKFM-UHFFFAOYSA-N 229.283 2.464 0 40 BEAB Cc1ccc(C(=O)NC2=NCCS2)c(C)c1 15480389 JIKBTECYUVNDKF-UHFFFAOYSA-N 234.324 2.136 0 40 BEAB C[C@H](O)CN(C)C(=O)Nc1ccc(Cl)cc1 16576385 GDLRSDJVMUZYHI-QMMMGPOBSA-N 242.706 2.185 0 40 BEAB COc1ccc(C(=O)NCc2ccccc2)cn1 16699517 JMVQGGRUWKJPLM-UHFFFAOYSA-N 242.278 2.020 0 40 BEAB CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 16944828 CHYVJDICXWIFSO-UHFFFAOYSA-N 234.324 2.426 0 40 BEAB Nc1ccccc1CC(=O)N1CCCCCC1 20155710 WJVVYWYXJRUUNP-UHFFFAOYSA-N 232.327 2.214 0 40 BEAB Nc1cccc(CC(=O)NCc2ccccc2)c1 20185897 XZZMAVOLCXBXBU-UHFFFAOYSA-N 240.306 2.128 0 40 BEAB CCOC(=O)[C@@H]1CSC2(CCC(C)CC2)N1 20405478 OAAKTKDUHXPKJW-YZRBJQDESA-N 243.372 2.161 0 40 BEAB CN1CC(Cl)=Nc2ccccc2C1=O 22126704 RMZYDVCDHRYVLG-UHFFFAOYSA-N 208.648 2.041 0 40 BEAB CSc1ccc(C2=NNC(=O)CC2)cc1 24013695 FUNIIXOVYZEFAY-UHFFFAOYSA-N 220.297 2.023 0 40 BEAB CC12C[C@@H]3C[C@H](C1)CC(N1CCNCC1)(C3)C2 32577814 PAIHNONTZHVMQI-DGKWVBSXSA-N 234.387 2.251 0 40 BEAB Cc1nc(-c2cccs2)sc1C(N)=O 33433684 WGRTXPDOOMVJBF-UHFFFAOYSA-N 224.310 2.279 0 40 BEAB C=CC(=O)N[C@@H](CC)c1ccccc1OC 37005438 VLWFXIVAXSZOGU-NSHDSACASA-N 219.284 2.449 0 40 BEAB C[C@@H](CN1CCCNCC1)c1ccccc1 40240932 WYPAWXHOCYERMM-ZDUSSCGKSA-N 218.344 2.085 0 40 BEAB CCONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 40476695 VKSQOZWFRYXPCR-KOLCDFICSA-N 237.299 2.403 0 40 BEAB CC(C)=CC(=O)N[C@H](C)c1ccncc1 41296662 HMKZGBOINIMWGW-SNVBAGLBSA-N 204.273 2.225 0 40 BEAB Cc1cc(C(=O)N2CCc3sccc3C2)no1 42010941 LGZGZNLGIQFGKH-UHFFFAOYSA-N 248.307 2.243 0 40 BEAB CCOC(=O)Cc1c(F)c(F)cc(F)c1F 43503665 NRROGYUCZGPPCA-UHFFFAOYSA-N 236.164 2.349 0 40 BEAB COCC(=O)c1cc(F)cc(Cl)c1 43504738 WRLAVQNQSUZPEW-UHFFFAOYSA-N 202.612 2.308 0 40 BEAB CCONC(=O)Cn1c(C)cc2ccccc21 45870907 BIBOHILVMVOWQR-UHFFFAOYSA-N 232.283 2.017 0 40 BEAB NC[C@@H](O)c1ccc(-c2cccs2)s1 49820179 UONLJCMCCQQBQK-SSDOTTSWSA-N 225.338 2.469 0 40 BEAB O=C(O)[C@@H]1C[C@@]12CCCc1ccccc12 52126548 WVRLFWFGLWUZBD-WCQYABFASA-N 202.253 2.365 0 40 BEAB in-vitro COC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1N 57352337 XDVVXFFIVCDOHV-UHFFFAOYSA-N 246.266 2.059 0 40 BEAB CC[C@H](C)N(C)CCNC(=O)c1cccs1 66137497 MJORGOJAJYGSJC-JTQLQIEISA-N 240.372 2.208 0 40 BEAB CSc1ncccc1[C@@H]1CCCCN1C=O 72216973 TWTZUHCRBNAERN-NSHDSACASA-N 236.340 2.487 0 40 BEAB CCc1ccc(N(CC)CC(=O)O)cc1 76583989 HXTCIVIDETWQCT-UHFFFAOYSA-N 207.273 2.160 0 40 BEAB CC(C)(C)OC(=O)N1CCc2cnccc21 76914386 UYVCYBCSPBEFJR-UHFFFAOYSA-N 220.272 2.379 0 40 BEAB O=C(Nc1ccc(O)cc1F)c1ccco1 82879392 ZEWUDPRGKDTREL-UHFFFAOYSA-N 221.187 2.377 0 40 BEAB O=C(O)c1coc2c1C(=O)C[C@@H](C(F)(F)F)C2 85399187 WFOORGFOUDPHFP-SCSAIBSYSA-N 248.156 2.285 0 40 BEAB Cc1cc(F)cc2ccc(C(=O)O)nc12 85399931 YYVONWFTNQNVSJ-UHFFFAOYSA-N 205.188 2.381 0 40 BEAB NCCN[C@@H]1CCCc2c1[nH]c1ccccc21 87816273 UUIZJDJMUFRKJB-CYBMUJFWSA-N 229.327 2.094 0 40 BEAB Cc1[nH]ccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 89536776 UDWXGBZWWAUWHC-OLZOCXBDSA-N 248.326 2.107 0 40 BEAB COc1ccc(SC)c(OC)c1C(=O)O 90225715 JIAWNEVMLDUMIS-UHFFFAOYSA-N 228.269 2.124 0 40 BEAB in-vitro COc1c(C)cccc1CNC[C@H]1CCCO1 95094803 JPIHBGQTNSTROH-CYBMUJFWSA-N 235.327 2.272 0 40 BEAB O=C(NC[C@@H]1CO1)c1c(Cl)cccc1Cl 95096916 ZGNIXEZUMVFHKK-ZCFIWIBFSA-N 246.093 2.122 0 40 BEAB CCO[C@@H]1C[C@H](NC(C)=O)C12CCCCC2 95402002 CXLNJOZSTFFEFK-NWDGAFQWSA-N 225.332 2.250 0 40 BEAB CCC[C@@](C)(CO)NC[C@@H]1CC=CCC1 95434020 ORQCYYXHMFCLTB-OLZOCXBDSA-N 211.349 2.483 0 40 BEAB O[C@H](CCC1OCCCO1)c1ccccc1F 95728531 ZQRWBRJLYSRINV-GFCCVEGCSA-N 240.274 2.402 0 40 BEAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC 96430549 JQMZCEGGYKZIQL-AXFHLTTASA-N 213.321 2.106 0 40 BEAB Cc1ccc(CCN[C@@H](C)C2CCOCC2)cn1 97016895 GXMSCGUOCXATIA-ZDUSSCGKSA-N 248.370 2.337 0 40 BEAB CC[C@@H](OC(=O)c1cscc1C)C(=O)OC 97022687 BPFNWHSUHWBFHI-SECBINFHSA-N 242.296 2.165 0 40 BEAB COc1ccc(C)nc1NC(=O)NC(C)(C)C 97378610 LVECKFLEDXGQSO-UHFFFAOYSA-N 237.303 2.319 0 40 BEAB NC(=S)c1cc(-c2ccccc2)ccn1 98071603 ZVJKVMYMCJFXAE-UHFFFAOYSA-N 214.293 2.383 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](SC(=N)N)C2=O 100928179 JVXRHLUWSSCLBB-AZTOOPQRSA-N 226.345 2.007 0 40 BEAB CN(CCn1cc(F)ccc1=O)c1ccccc1 190750123 FYXSFLAKHSFEGI-UHFFFAOYSA-N 246.285 2.124 0 40 BEAB COC(=O)c1nnc(-c2ccccc2)cc1C 196511614 FHTWKOPNPUTNBQ-UHFFFAOYSA-N 228.251 2.239 0 40 BEAB Fc1cccc(F)c1N1CCN[C@H]2CCC[C@@H]21 225717570 JQRHECGNOBAGTD-RYUDHWBXSA-N 238.281 2.296 0 40 BEAB Cc1nn(CC(C)C)cc1NCc1cnn(C)c1 256051094 HREVLSFQGHVLBN-UHFFFAOYSA-N 247.346 2.193 0 40 BEAB Cc1nn(C(C)C)cc1CNc1ccn(C)n1 256052016 LNULTZQMFPYXQH-UHFFFAOYSA-N 233.319 2.118 0 40 BEAB c1cc([C@@H]2COCCN2Cc2ccsc2)[nH]n1 257274942 NNHNBJZXTVFFMN-LBPRGKRZSA-N 249.339 2.045 0 40 BEAB C[C@H](O)c1cccc(C2CCNCC2)c1 258157392 PFQJCTXIBPNITG-JTQLQIEISA-N 205.301 2.207 0 40 BEAB Cc1noc(C)c1CN[C@H]1CCC[C@H]1F 336618100 BXQQQECVOGMLBP-MNOVXSKESA-N 212.268 2.272 0 40 BEAB c1ccc(CN2C[C@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1 536948295 WBDUGCMYPUIWLB-YHUYYLMFSA-N 242.366 2.116 0 40 BEAB Cc1cnc([C@H]2CCCN(CC3CC3)C2)[nH]1 1848356385 VXBWSOURRJRTND-LBPRGKRZSA-N 219.332 2.308 0 40 BEAB CC1=CC(C)(C)NC(=S)N1Cc1cccnc1 32050 IOYWKNUAEYFWCY-UHFFFAOYSA-N 247.367 2.454 0 40 BEAB O=C(O)CCc1coc2ccc(O)cc12 1617836 QLXCHSMARQKROJ-UHFFFAOYSA-N 206.197 2.156 0 40 BEAB O[C@@H](CNC1CCCC1)c1ccccc1 1742405 WODOFTMSPYLIFH-ZDUSSCGKSA-N 205.301 2.252 0 40 BEAB CCCC(=O)NCc1nc2ccccc2n1CC 2721245 WJRHKFLPGVKTQL-UHFFFAOYSA-N 245.326 2.473 0 40 BEAB Cc1cccc(C(C)C)c1NS(C)(=O)=O 5579391 QCPKAIVBOSRQBY-UHFFFAOYSA-N 227.329 2.490 0 40 BEAB Cc1cccc(/C=C/c2csnn2)n1 5579658 JFUFGBAYDYFUSN-AATRIKPKSA-N 203.270 2.412 0 40 BEAB CCOC(C)(OCC)[C@H](N)c1ccccc1 5837382 ZFKGUCWEEBUBET-GFCCVEGCSA-N 223.316 2.476 0 40 BEAB Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)cc1 6502117 AHIHFHUBNZUXDC-QWHCGFSZSA-N 248.326 2.420 0 40 BEAB CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)O 8624945 ZNJFBWYDHIGLCU-OKWQPMOJSA-N 210.273 2.413 0 40 BEAB in-vitro CCCNC(=S)Nc1cc(C)ccc1O 16970823 RVRVETMFUNXNAG-UHFFFAOYSA-N 224.329 2.397 0 40 BEAB C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(N)=O 20307771 XQHRYMZFIFTAFR-SECBINFHSA-N 220.316 2.270 0 40 BEAB CC(C)C(=O)N1CCO[C@H](c2ccccc2)C1 24012962 TVWTXCGVYRYCLS-ZDUSSCGKSA-N 233.311 2.243 0 40 BEAB c1csc(-c2nnc([C@@H]3CCCNC3)o2)c1 26424253 JSMJZBNRYPYBSF-MRVPVSSYSA-N 235.312 2.265 0 40 BEAB CCCCc1n[nH]c(C(=O)O)c1Br 28824284 OAQYEJMWZZYVGR-UHFFFAOYSA-N 247.092 2.213 0 40 BEAB Nc1ccc2nc(-c3ccncc3)oc2c1 31899478 GMEJXSRGFRIIJZ-UHFFFAOYSA-N 211.224 2.472 0 40 BEAB COC(=O)c1c[nH]cc1C(=O)CC(C)C 33820128 AHKTUIIUFNZBMA-UHFFFAOYSA-N 209.245 2.030 0 40 BEAB Cc1c(C)c2ccc(O)c(C)c2[nH]c1=O 34304707 UQMZZJHQNMPPRV-UHFFFAOYSA-N 203.241 2.159 0 40 BEAB COc1ccc(Br)c(OC)c1O 34454556 XXFKACCLBKXQDX-UHFFFAOYSA-N 233.061 2.172 0 40 BEAB COC(=O)c1sc(-c2ccncc2)cc1N 34975228 MTWPBJBUARILTH-UHFFFAOYSA-N 234.280 2.179 0 40 BEAB NCCOc1cccc(CN2CCCCCC2)c1 41301970 OJXPEPDYDQZLPX-UHFFFAOYSA-N 248.370 2.400 0 40 BEAB CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 46417616 VQSFQGKJSJXENB-NXEZZACHSA-N 237.299 2.091 0 40 BEAB CC[C@@H](C)NCCC(=O)OC(C)(C)C 47218955 BCLYOIHYMPCECN-SECBINFHSA-N 201.310 2.106 0 40 BEAB CC[C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219032 LPQFBRZVCFPQSV-VHSXEESVSA-N 215.337 2.352 0 40 BEAB Cc1ccc(CNC(=O)c2cc(C)n[nH]2)c(C)c1 48622548 WLUBTUNDFVJYEX-UHFFFAOYSA-N 243.310 2.265 0 40 BEAB Cc1ccccc1CN(CCO)C(C)C 49826049 CELMUADGUWVPNV-UHFFFAOYSA-N 207.317 2.198 0 40 BEAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCO1 49940466 HSGMJJFPEWFTBR-GXFFZTMASA-N 249.310 2.051 0 40 BEAB CN[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 53202166 WHQKRIWCGMZEAB-CQSZACIVSA-N 246.354 2.127 0 40 BEAB Cc1ccc2c3c(cnc2c1C)C(=O)NCCN3 53994732 ANAMIYGBJIOGTB-UHFFFAOYSA-N 241.294 2.007 0 40 BEAB CSc1ncc(CNC(C)(C)C)cn1 62717196 SAIBORUJPHQAEZ-UHFFFAOYSA-N 211.334 2.087 0 40 BEAB O=C(O)c1cc(F)c(OCC2CC2)c(F)c1 63003959 PFVZZPBKPNWGMO-UHFFFAOYSA-N 228.194 2.452 0 40 BEAB CC(C)(C)OC(=O)Nc1ccoc1C(=O)O 66339417 NBZNSNPSQJFTQF-UHFFFAOYSA-N 227.216 2.325 0 40 BEAB in-vitro CCC[C@@H](C)[C@](CC)(C(=O)O)C(=O)OCC 71621741 ICUDBEZIRXXJAE-BXKDBHETSA-N 230.304 2.467 0 40 BEAB COc1ccc(Br)c(CO)c1C 72137440 OHRSMCHEHNKULS-UHFFFAOYSA-N 231.089 2.258 0 40 BEAB CCC(C)(CC)NC(=O)c1ocnc1C 72310190 QMIQFXIQYIGIIE-UHFFFAOYSA-N 210.277 2.292 0 40 BEAB Cc1noc([C@@H]2CCCN2Cc2ccccn2)n1 72357081 NAXWJMOYFRMAEZ-LBPRGKRZSA-N 244.298 2.110 0 40 BEAB COC(=O)/C=C/c1c[nH]c2ccccc12 77031654 JKVXFZPEUCTHQO-VOTSOKGWSA-N 201.225 2.354 0 40 BEAB c1cnc(-c2nc(-c3ccsc3)no2)cn1 78773666 AJLZYXJKNGNVIU-UHFFFAOYSA-N 230.252 2.255 0 40 BEAB C[C@H]1CN(CC/C=C/c2ccccc2)CCN1 79439952 MPPZBOYQAFNTCD-KVEVGEHQSA-N 230.355 2.384 0 40 BEAB NCC1(c2nc3ccccc3s2)CC1 82380135 DWXFPOLZRHQMIS-UHFFFAOYSA-N 204.298 2.287 0 40 BEAB N[C@]1(Cc2cccc(Cl)c2)CCOC1 83186697 USUPANPUVJJGPS-NSHDSACASA-N 211.692 2.000 0 40 BEAB OCc1ccn(Cc2ccccc2Cl)n1 90728234 BHWXSAJTGDBLGP-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB Fc1cccnc1N[C@H]1CCN2CCC[C@@H]2C1 94594098 MYKWGZDNBPEZGV-WDEREUQCSA-N 235.306 2.259 0 40 BEAB CCCCc1cc(NC(=O)C(C)(C)OC)[nH]n1 96483261 OJYUTBLRORDJKM-UHFFFAOYSA-N 239.319 2.116 0 40 BEAB Cc1nccc(N2C[C@@H]3CC=CC[C@H]3C2)n1 97212662 YCZQDJZEXXTTIG-RYUDHWBXSA-N 215.300 2.187 0 40 BEAB Cc1c(N)ccc(Br)c1C(=O)O 98179549 PMGRACQWMRSOEV-UHFFFAOYSA-N 230.061 2.038 0 40 BEAB O=C(O)[C@]1(Cc2ccco2)C[C@H]2C=C[C@H]1C2 100160681 UXWRUXNPZXHIIV-KWBADKCTSA-N 218.252 2.489 0 40 BEAB [SH3]c1nc2cccc(Br)c2o1 104823242 HQWNPEUAILIPCL-UHFFFAOYSA-N 232.102 2.344 0 40 BEAB CCOC(=O)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1 107839676 COQKZWJFVDJPHJ-WDEREUQCSA-N 234.251 2.051 0 40 BEAB Cn1cncc1CN1CCC(C(F)(F)F)CC1 177161896 JQBHINARHUMWTQ-UHFFFAOYSA-N 247.264 2.194 0 40 BEAB Cc1cccc(C[C@@H](OC(C)C)C(=O)O)c1 220392184 TZABLJZIXCFOCN-GFCCVEGCSA-N 222.284 2.416 0 40 BEAB Cc1csc(-n2c(C)cc(CO)c2C)n1 223719152 XHAGECQUSRPLKV-UHFFFAOYSA-N 222.313 2.351 0 40 BEAB c1cc([C@H]2COCCN2CC2CCCCC2)[nH]n1 257280235 OKAMUASYRVWGPE-CQSZACIVSA-N 249.358 2.363 0 40 BEAB Cn1ncc2c1C[C@H](C(F)(F)F)CC2 575424775 MTHIZHMYPANFHN-SSDOTTSWSA-N 204.195 2.087 0 40 BEAB Cn1c(OCC2CCOCC2)nc2ccccc21 585652026 UUYSYVLGEFQKSY-UHFFFAOYSA-N 246.310 2.379 0 40 BEAB CN(c1ccnc2ccsc12)[C@H]1CCNC1 643007080 ZBPAVJYWCJLDGG-VIFPVBQESA-N 233.340 2.094 0 40 BEAB CCC[C]1CNCCN1C(=O)OC(C)(C)C 1560408677 PWOPKNWGFSLLII-UHFFFAOYSA-N 227.328 2.159 0 40 BEAB CC[C@@]1(C)OC(=O)N(Cc2ccco2)[C@]1(C)O 62834 DKQKKPIIGYHBSB-VXGBXAGGSA-N 239.271 2.109 0 40 BEAB CCOC(=O)c1ccc2nc(C)c(C)nc2c1 71507 UDUQPOGWJUMYLA-UHFFFAOYSA-N 230.267 2.423 0 40 BEAB COC(=O)/C=C/C(=O)Nc1ccc(C(C)C)cc1 386826 INKWZCNDICOZDM-CMDGGOBGSA-N 247.294 2.478 0 40 BEAB O=C1N[C@@H](O)c2cc(Cl)cc(Cl)c2O1 1574701 APDPAIFRIUBNQF-ZETCQYMHSA-N 234.038 2.086 0 40 BEAB OCCOc1cc(Cl)cc(Cl)c1 1668907 PBISSGYFMDPIHE-UHFFFAOYSA-N 207.056 2.365 0 40 BEAB CCOC(=O)C1=Cc2ccccc2OC1 1708776 VAANEDBEKZZBRU-UHFFFAOYSA-N 204.225 2.026 0 40 BEAB in-vitro CCOC(=O)NCC(Cl)(Cl)Cl 1733174 LFCZTAMKCJLTOL-UHFFFAOYSA-N 220.483 2.103 0 40 BEAB Nc1cccc(-c2nnc3n2CCCCC3)c1 2650097 WDFYWYRBKLWXFA-UHFFFAOYSA-N 228.299 2.254 0 40 BEAB in-vitro CCOC(=O)Nc1nnc(C(F)(F)F)s1 3160995 QWVYIBMFCIIWON-UHFFFAOYSA-N 241.194 2.125 0 40 BEAB CN(C)CCCNc1ncnc2sccc12 3279506 UMNZSUSLFHHMCD-UHFFFAOYSA-N 236.344 2.055 0 40 BEAB CCOc1ccc2c(c1)cc(C(=O)O)n2C 4384237 NKKFVMSSWWSCJN-UHFFFAOYSA-N 219.240 2.275 0 40 BEAB in-vitro COCCn1c(SC)nnc1-c1ccccc1 4966489 JKXKLAGDLQXZNG-UHFFFAOYSA-N 249.339 2.313 0 40 BEAB CC1=N/C(=C/c2ccccc2C)C(=O)O1 5504132 UMESNHVJZFCGBV-YRNVUSSQSA-N 201.225 2.311 0 40 BEAB C[C@@H]1Cc2cc(CNC[C@@H]3CCCO3)ccc2O1 6679753 BVJLJADGPBUSCS-RISCZKNCSA-N 247.338 2.279 0 40 BEAB Cc1cc(NCCCCCCN)nc(C)n1 8731058 SHIFDKWINBRMAD-UHFFFAOYSA-N 222.336 2.024 0 40 BEAB COC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 11977157 OYFIZMCQNZQEHU-SECBINFHSA-N 228.675 2.230 0 40 BEAB CC(C)c1ccc(Nc2cn[nH]c(=O)n2)cc1 11991498 GWVVXCBTLFQQAU-UHFFFAOYSA-N 230.271 2.032 0 40 BEAB CNCc1cccc(CN2CCCC2)c1 12370528 KLOQOEPFPGJWNP-UHFFFAOYSA-N 204.317 2.002 0 40 BEAB O=c1[nH]c2ccccc2nc1/C=C\c1cccnc1 12421359 WOYMZRWUKAMJMT-FPLPWBNLSA-N 249.273 2.489 0 40 BEAB CCNC(=O)CCCOc1ccc(C)cc1 14396956 SKIWSEVXYHIPPV-UHFFFAOYSA-N 221.300 2.290 0 40 BEAB CC(C)COC(=O)c1n[nH]c2ccccc12 16183871 SDGKBHBQHDAYMI-UHFFFAOYSA-N 218.256 2.376 0 40 BEAB CN(Cc1ccco1)C(=O)NC1CCCC1 30980949 NXIKSKIOGDYALU-UHFFFAOYSA-N 222.288 2.364 0 40 BEAB CCN(CC)C(=O)Cn1nc(C)c(Cl)c1C 32611130 LCNLLJONZXCWGL-UHFFFAOYSA-N 243.738 2.022 0 40 BEAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1 32741260 QIEVYYLQLIJXFZ-WPRPVWTQSA-N 209.314 2.363 0 40 BEAB Cc1occc1C(=O)N(C)Cc1ccco1 32748006 XXYZTXPGGYXEGI-UHFFFAOYSA-N 219.240 2.453 0 40 BEAB CN1C(=O)c2ccccc2NC12CCCC2 32751194 NHQKJTPAYOTXQM-UHFFFAOYSA-N 216.284 2.454 0 40 BEAB O=C(O)[C@H]1C[C@@H]1c1nc2ccccc2o1 34926282 ZZTHDEKCVGNAJD-BQBZGAKWSA-N 203.197 2.016 0 40 BEAB CNCc1nc2ccccc2n1C1CC1 34962101 IIAVHZQHJRBATG-UHFFFAOYSA-N 201.273 2.091 0 40 BEAB CCN(C(=O)[C@@H](N)C(C)C)C1CCCCC1 35220769 TWRNKXHVRWOXPK-LBPRGKRZSA-N 226.364 2.151 0 40 BEAB Cc1n[nH]cc1CN[C@H]1CCCC[C@H]1C 35274043 QJPOMRYDLHMVRE-SKDRFNHKSA-N 207.321 2.386 0 40 BEAB Cc1ccccc1CNCc1cc[nH]n1 37719021 VLONEQJPRCHKRA-UHFFFAOYSA-N 201.273 2.008 0 40 BEAB C[C@@H]1C[C@H]1C(=O)NCCCc1ccccc1 44866043 HEMJRMPGCWQHEW-DGCLKSJQSA-N 217.312 2.391 0 40 BEAB Cc1cc(NC(=O)N[C@@H](C)c2cccnc2)no1 44891800 PXBUXLMGDQSSFH-VIFPVBQESA-N 246.270 2.261 0 40 BEAB CN(CCc1ccncc1)CC1(N)CCCCC1 48260190 VDOSXBFHALOEJK-UHFFFAOYSA-N 247.386 2.218 0 40 BEAB CO[C@H](C)C(=O)N[C@H](C)c1ccccc1F 55004670 HRGPLBXYHZBXQI-RKDXNWHRSA-N 225.263 2.038 0 40 BEAB CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 58210484 RNAROLDWUKTJRO-GXTWGEPZSA-N 246.354 2.348 0 40 BEAB CCN(Cc1cccc(Cl)c1)S(C)(=O)=O 59019321 HRMBWPJMTGIXTO-UHFFFAOYSA-N 247.747 2.122 0 40 BEAB CC(=O)OCC(=O)c1ccc(C)cc1C 61575030 GOZMEEODIUFXID-UHFFFAOYSA-N 206.241 2.049 0 40 BEAB Cc1ccc(F)c2c3c(cnc12)C(=O)OCCO3 64874854 VLFLCIYFKJOSLC-UHFFFAOYSA-N 247.225 2.232 0 40 BEAB CCONC(=O)CCc1cc(Cl)cs1 70041055 NBVABGMSHJNLQJ-UHFFFAOYSA-N 233.720 2.402 0 40 BEAB CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C 72208939 SANULBZYDGLPCY-NXEZZACHSA-N 231.336 2.307 0 40 BEAB COc1ncc([C@H]2CCCCN2C(C)=O)cc1C 72217756 IVWJMJJBNYKLIP-CYBMUJFWSA-N 248.326 2.472 0 40 BEAB Nc1cccc(-c2nnc([C@@H]3CCCO3)o2)c1 83357930 AMGXSJCOCQPKNL-JTQLQIEISA-N 231.255 2.170 0 40 BEAB CCC(O)(CC)c1ccc2c(c1)OCO2 84386831 PSBVHAMZEVRCAD-UHFFFAOYSA-N 208.257 2.423 0 40 BEAB CCCOc1cc(CO)cc(F)c1F 95739711 DWEHVKMLEBBORT-UHFFFAOYSA-N 202.200 2.246 0 40 BEAB CCC[C@H](CC(=O)O)NCc1ccccc1 96125852 JQKKEYCMOYWIOU-GFCCVEGCSA-N 221.300 2.420 0 40 BEAB CCN(C(=O)N(C)C[C@H]1CCCCO1)C(C)C 97141728 QHBYICHUCUHFNO-GFCCVEGCSA-N 242.363 2.338 0 40 BEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@@H](CN)CO)C2 108364005 OCNAGPQNZVNTGV-WGBDABJCSA-N 211.349 2.016 0 40 BEAB O=C(O)c1cc(Cl)cc(O)c1Cl 141075561 RACHNQRBLHENME-UHFFFAOYSA-N 207.012 2.397 0 40 BEAB Cc1ccnc(-n2cnc3ccccc32)n1 168714720 RJGUCEPFJQIYHB-UHFFFAOYSA-N 210.240 2.124 0 40 BEAB Cc1cc(C)cc(OCc2ncc(C=O)cn2)c1 217377123 KWVJHVDGRGBIMG-UHFFFAOYSA-N 242.278 2.485 0 40 BEAB CCCOc1cc(C(=O)O)n(-c2ccccc2)n1 218292476 KDEXQHPCBHEERU-UHFFFAOYSA-N 246.266 2.359 0 40 BEAB c1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 218831731 DWNQWSQAKMLZFG-KBPBESRZSA-N 216.328 2.407 0 40 BEAB c1ccc2nc(OC3COC3)ccc2c1 223749701 RJNFCDISZAYCIO-UHFFFAOYSA-N 201.225 2.012 0 40 BEAB CCOC(=O)c1cc(O)c(F)c(Cl)c1 261142448 PBDCHYLRBMGFHU-UHFFFAOYSA-N 218.611 2.361 0 40 BEAB Cc1nnc(N[C@@H](C)c2ncccc2F)nc1C 528261444 GGCRWGVVRMLMCC-VIFPVBQESA-N 247.277 2.196 0 40 BEAB CC(C)CCn1ccc(Cl)c(C(=O)O)c1=O 575422456 GNIWKSYMTMXITF-UHFFFAOYSA-N 243.690 2.246 0 40 BEAB O[C@@H]1CC[C@H]1Nc1ncccc1C(F)(F)F 585297271 ABSCCCWWPOFMTL-HTQZYQBOSA-N 232.205 2.036 0 40 BEAB O[C@@H](CCNc1ncc(F)cn1)c1ccccc1 746703271 YKOOZDWIAIVZRI-LBPRGKRZSA-N 247.273 2.151 0 40 BEAB Cc1cccc(OCCc2nnc(N)s2)c1C 808208 IWMMMLSLFRKQMB-UHFFFAOYSA-N 249.339 2.359 0 40 BEAB Nc1c(Cl)ncnc1NC1CCCC1 1561966 HPFRDZDLWJMHNH-UHFFFAOYSA-N 212.684 2.067 0 40 BEAB O=C(Nc1cccc(Cl)c1)Nc1nc[nH]n1 1722100 GKKGDUYQFWUGIR-UHFFFAOYSA-N 237.650 2.102 0 40 BEAB CC1=CCC=C(CNc2ncnc3[nH]cnc23)C1 5086251 GLCVJQYKVVXNBU-UHFFFAOYSA-N 241.298 2.431 0 40 BEAB CC(=O)CC(=O)Nc1nc2cc(C)c(C)cc2[nH]1 6203380 IJJQFZAUDVFILC-UHFFFAOYSA-N 245.282 2.097 0 40 BEAB NCc1csc(COc2ccccc2)n1 11850518 MVURMIYXBWLVRX-UHFFFAOYSA-N 220.297 2.181 0 40 BEAB CCN(CCCC(=O)O)c1ccccc1 11863917 QZZSUGSQTFDHQE-UHFFFAOYSA-N 207.273 2.378 0 40 BEAB Cc1nnc(SCC(=O)O)c2ccccc12 12176525 SFBKORNWTJXUAW-UHFFFAOYSA-N 234.280 2.115 0 40 BEAB Cc1cccc(CSc2nnc(C)c(O)n2)c1 18203404 ZBYJXTOTCHPBIQ-UHFFFAOYSA-N 247.323 2.486 0 40 BEAB CCOC(=O)C1=C(N)S[C@H]2CCCC[C@H]12 19626551 MHLOZPWQZPKMGT-YUMQZZPRSA-N 227.329 2.025 0 40 BEAB CSc1ccccc1C(=O)Nc1cnn(C)c1 24585579 ASXDJYRYNSYWJW-UHFFFAOYSA-N 247.323 2.394 0 40 BEAB O=c1ccc2c(Br)cccc2[nH]1 26474708 XLNXYWXWOLFEOD-UHFFFAOYSA-N 224.057 2.291 0 40 BEAB in-vitro COc1ccc(NC2=NNC=CS2)cc1 27546392 HCLHEKPPCRUVIJ-UHFFFAOYSA-N 221.285 2.186 0 40 BEAB C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1cccs1 28428739 BVERBSAYYGAHSN-NXEZZACHSA-N 249.339 2.383 0 40 BEAB c1ccc(-c2ccc(N[C@H]3CCOC3)nn2)cc1 32523829 XLDBWBRTTQQEEM-LBPRGKRZSA-N 241.294 2.344 0 40 BEAB CC[C@@H]1CCCCN1c1ncccc1CN 37082689 BKGAFVSADXOJRX-GFCCVEGCSA-N 219.332 2.309 0 40 BEAB CCn1c(CCN)nc2cc(Cl)ccc21 37440348 HVOSNRPSEIRDTO-UHFFFAOYSA-N 223.707 2.211 0 40 BEAB O=C(NCc1ccccc1)NCc1ccncc1 41319877 NRLOOJHABOPWIB-UHFFFAOYSA-N 241.294 2.081 0 40 BEAB CCCc1noc([C@H](C)N2CCCC2)n1 44583630 AKNUTJWSARITSS-VIFPVBQESA-N 209.293 2.179 0 40 BEAB CCOC(=O)c1cc2cc(C)cnc2[nH]1 45808958 TZFQDBAWCODGHL-UHFFFAOYSA-N 204.229 2.048 0 40 BEAB in-vitro Cc1cccc(C(=O)Nc2cc(C)nn2C)c1 48309945 KCXIWASQFDSYIB-UHFFFAOYSA-N 229.283 2.289 0 40 BEAB O=C(Nc1cc[nH]n1)[C@@H]1Cc2ccccc2S1 48798805 SLTJJKCRAUKSHP-JTQLQIEISA-N 245.307 2.065 0 40 BEAB CCCC[C@H](CC)C(=O)N1CCNC[C@@H]1C 54369954 UZXUDMYHJNOLBS-RYUDHWBXSA-N 226.364 2.023 0 40 BEAB CC[C@H](COC)NCc1ccccc1F 70623690 RSDRGOKHZQKOST-LLVKDONJSA-N 211.280 2.340 0 40 BEAB c1ncc([C@H]2CCCN2)nc1NC1CCCC1 72386455 ROJHDPKETSUQPB-LLVKDONJSA-N 232.331 2.256 0 40 BEAB COc1cccc2ncc(Br)n12 82359467 YXYKYJLIHFAPQR-UHFFFAOYSA-N 227.061 2.105 0 40 BEAB in-vitro O=C1C[C@H](C(F)(F)F)Cc2nc(S)ncc21 85399239 RZKCUYXKMGOUKV-SCSAIBSYSA-N 248.229 2.073 0 40 BEAB Cc1cc(CN(C)CCCn2ccnc2C)no1 89604750 WDDVDTXXFDJAOK-UHFFFAOYSA-N 248.330 2.010 0 40 BEAB Brc1ccnc(OC2CC2)c1 91366008 CKAXFFRSYPTCEH-UHFFFAOYSA-N 214.062 2.385 0 40 BEAB in-vitro CCc1nnc(S[C@@H](C)C(F)(F)F)n1C 95427490 UOWHFCNIXMUFID-YFKPBYRVSA-N 239.266 2.420 0 40 BEAB CC(C)Cc1nc([C@@H](N)Cc2ccccc2)n[nH]1 95534917 RCIFGFJVPUZILB-LBPRGKRZSA-N 244.342 2.246 0 40 BEAB O=C(O[C@H]1CCSC1)c1ccc2cc[nH]c2n1 96013416 ASVBEJPSGWVGAI-VIFPVBQESA-N 248.307 2.225 0 40 BEAB CCCCCCN1CCN(CC(F)F)CC1 96419561 AXEYCJKILMRCJV-UHFFFAOYSA-N 234.334 2.449 0 40 BEAB Cn1ncc2cc(Br)c(Cl)nc21 96511245 KHITZSCIJATZRM-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB O=C(Nc1cnccn1)c1scnc1C1CC1 97146280 DEGWKRLADDKQBK-UHFFFAOYSA-N 246.295 2.063 0 40 BEAB C[C@@H](CN[C@@H]1C=C[C@H](CO)C1)c1ccccc1 194567642 OZHNIGYZHVFMSF-KCQAQPDRSA-N 231.339 2.317 0 40 BEAB CC(C)(CN)CNCc1ccc(Cl)cc1 223671119 JQUZAQLUIZZTQQ-UHFFFAOYSA-N 226.751 2.415 0 40 BEAB CCOC(=O)[C@@H]1CCC[C@@H]2O[C@@H](C)[C@@H](C)[C@@H]21 225760100 CRSCRJHTAPGPGQ-CSYMLDBXSA-N 226.316 2.389 0 40 BEAB O=C1Cc2c(ccc(Br)c2F)N1 238553794 HRXCYGPHPDAXEE-UHFFFAOYSA-N 230.036 2.083 0 40 BEAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 244183776 VKQOAGZLAPUKRD-WCFLWFBJSA-N 230.311 2.134 0 40 BEAB COc1ccccc1CNc1nn(C)cc1C 256052366 NATNSLXUYOPXCG-UHFFFAOYSA-N 231.299 2.349 0 40 BEAB COC(=O)c1ccc(Cl)c(OC)c1F 642814535 LCNSYVLTKSMDLW-UHFFFAOYSA-N 218.611 2.274 0 40 BEAB Cc1ncn(-c2cccc(OC(F)(F)F)c2)n1 2362803627 RKRPBQGDPYJFLD-UHFFFAOYSA-N 243.188 2.474 0 40 BEAB O=c1ccoc2c(F)c(F)c(F)c(F)c12 33162 BRCKGLHRFBZZRX-UHFFFAOYSA-N 218.105 2.349 0 40 BEAB CCOc1cc(=O)oc2cc(OC)ccc12 57833 DXYREIQSILTYNR-UHFFFAOYSA-N 220.224 2.200 0 40 BEAB biogenic CC1(C)C2=CCCC(=O)[C@@]2(C)CC[C@H]1O 1617669 VPZIXECAMMBHLM-MFKMUULPSA-N 208.301 2.463 0 40 BEAB CCN(CC)[P@]1(=O)OCC[C@@H](C)O1 1691070 XYTACFUAYJCIHI-OQPBUACISA-N 207.210 2.262 0 40 BEAB CC[C@H](C)NCc1ccc2c(c1)OCO2 4897338 VWVHDPORHNWWNM-VIFPVBQESA-N 207.273 2.303 0 40 BEAB NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 5014583 NLCMEHMMHGPCMX-CQSZACIVSA-N 237.302 2.478 0 40 BEAB Cc1cc(C)c2c3c(sc2n1)C(=O)C(=O)N3 5330609 KCMFYNZMDRBVFJ-UHFFFAOYSA-N 232.264 2.048 0 40 BEAB Cc1cnc(C(=O)Nc2cc(F)cc(F)c2)cn1 9647958 OQAHBOOESMMZHU-UHFFFAOYSA-N 249.220 2.316 0 40 BEAB CCN(CCC(=O)O)c1ccc(C)cc1 20133821 WGWUIVOJXBOZLH-UHFFFAOYSA-N 207.273 2.296 0 40 BEAB CC[C@H](C)NC(=O)c1cc(Cl)ccc1N 20155191 LGJZMWZAGFGREJ-ZETCQYMHSA-N 226.707 2.451 0 40 BEAB CC[C@H](C)n1cc(Cl)c(C(=O)O)n1 20313798 QXXQAXVEVDNYLN-YFKPBYRVSA-N 202.641 2.206 0 40 BEAB O=C(Nc1cccc2cnccc12)[C@@H]1CCCO1 21217272 IWAOLVPDTBIXAB-ZDUSSCGKSA-N 242.278 2.352 0 40 BEAB Cc1ccc(C(=O)Nc2ccc(N(C)C)nc2)o1 22327032 FGFQLFDMAAIYCK-UHFFFAOYSA-N 245.282 2.301 0 40 BEAB Clc1nccn2c(-c3ccccc3)nnc12 26894637 VYSURYHOHZGRLB-UHFFFAOYSA-N 230.658 2.445 0 40 BEAB in-vitro CC(=O)c1ccc(OCc2nccn2C)cc1 31977984 WHBBMCFOFMDJBZ-UHFFFAOYSA-N 230.267 2.202 0 40 BEAB in-vitro CCc1ccc2ncc(C(=O)O)cc2c1 32099585 FKFYNCQFWITRCL-UHFFFAOYSA-N 201.225 2.495 0 40 BEAB CC(C)CC(=O)N1CCn2cccc2[C@H]1C 32753026 UARJCWKQXWKISK-LLVKDONJSA-N 220.316 2.437 0 40 BEAB CCOc1cc(C)n(C(=S)SC)n1 32824470 VMVHLVVMWVCTBK-UHFFFAOYSA-N 216.331 2.086 0 40 BEAB COC(=O)C[C@@H]1CCc2cc(OC)ccc2C1=O 34192185 MTMJCLLEFXNRIV-JTQLQIEISA-N 248.278 2.003 0 40 BEAB COC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1C 35163689 WNUUPAXJWOBHKE-RNFRBKRXSA-N 239.296 2.129 0 40 BEAB C[C@H](N[C@H](C)CO)c1ccc2c(c1)CCC2 35602274 JCQFBNPXMDXWSC-MNOVXSKESA-N 219.328 2.207 0 40 BEAB Oc1nnc2c(c1C(F)(F)F)CCCC2 36926621 UFZZAYNROLIDEM-UHFFFAOYSA-N 218.178 2.080 0 40 BEAB COC(=O)c1cc(O)c(C)c(Cl)c1 38416706 NWFZDTNXHPBQNP-UHFFFAOYSA-N 200.621 2.141 0 40 BEAB CCO[C@@H](C)C(=O)N(C)Cc1ccsc1 40523520 WYFHTRGXZKQFEZ-VIFPVBQESA-N 227.329 2.132 0 40 BEAB O=C(OCCC1CCNCC1)C1CCCC1 42769356 UBKMLSLNTXLNDA-UHFFFAOYSA-N 225.332 2.110 0 40 BEAB OCCc1ccc(OC(F)(F)F)c(F)c1 44380733 PVHMZKGTNUOPKI-UHFFFAOYSA-N 224.153 2.259 0 40 BEAB C[C@H]1CN(C(=O)CCCc2ccccc2)CCO1 46743442 MGPFTNJMEJUSSU-ZDUSSCGKSA-N 247.338 2.257 0 40 BEAB Cc1cc(C(=O)N2CCSCC2)c(C)o1 48326082 XBXQMOLZZQVCJM-UHFFFAOYSA-N 225.313 2.085 0 40 BEAB CN[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 54052912 YUXAXRSHSXTJQR-LURJTMIESA-N 209.680 2.497 0 40 BEAB CN(C)/C=C1\C(=O)Nc2ccc(Cl)cc21 66112362 JROITAAGUGWVPQ-TWGQIWQCSA-N 222.675 2.195 0 40 BEAB CCO[C@H]1Cc2ccccc2C[C@@H](OCC)C1=O 68603478 PCVVUBXKJRVLQY-OKILXGFUSA-N 248.322 2.165 0 40 BEAB CCN(CC)C(=O)c1cnn(-c2ccccc2)c1 70244524 MKZKFHSQBDUDIN-UHFFFAOYSA-N 243.310 2.354 0 40 BEAB CCC(=O)NCCCOC1CCCCC1 70245213 DWVVZYVCFFSWOY-UHFFFAOYSA-N 213.321 2.252 0 40 BEAB C[C@@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1 71532525 QUPLJPIJRLSDFC-SKDRFNHKSA-N 225.719 2.259 0 40 BEAB N=C(N)SCc1ccc(F)c(F)c1 71980702 LYMAFVWBQZGUTF-UHFFFAOYSA-N 202.229 2.091 0 40 BEAB COc1ccccc1-n1cc(C2CC2)nn1 72155813 JAKTYUUCBRUZSD-UHFFFAOYSA-N 215.256 2.153 0 40 BEAB Cc1ccc(-c2snnc2C(=O)O)cc1 72206790 AXSHNLCQKPTMIQ-UHFFFAOYSA-N 220.253 2.212 0 40 BEAB CN[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207663 XAMKXROYRZILBP-MNOVXSKESA-N 242.363 2.384 0 40 BEAB OCCc1ccccc1-c1ccnc(Cl)n1 72233408 ITTWVMLUYNVILL-UHFFFAOYSA-N 234.686 2.332 0 40 BEAB Clc1cccc(NCc2nnnn2C2CC2)c1 72312431 MYPQZLODGURTRY-UHFFFAOYSA-N 249.705 2.274 0 40 BEAB Cn1ccnc1CN1CCC[C@H]1c1ccccn1 72381908 OIYFEUIJSZKAJW-ZDUSSCGKSA-N 242.326 2.152 0 40 BEAB O=C(Nc1ccnc2ccnn12)c1ccsc1 76640682 VIEASWQJOVPZNU-UHFFFAOYSA-N 244.279 2.043 0 40 BEAB C/C=C/C=C/C(=O)Nc1ccccc1O 82265349 LCHWXAYMPYZFRE-DSXPNFDZSA-N 203.241 2.463 0 40 BEAB CCn1c([C@@H](N)C(C)C)nc2cnccc21 84132490 GNRYAGHBJKSRMY-NSHDSACASA-N 218.304 2.107 0 40 BEAB O=C(O)C1(COCc2ccccc2)CCC1 85390432 QVUGPEROACGNGM-UHFFFAOYSA-N 220.268 2.458 0 40 BEAB Cc1ccsc1CNC[C@H](O)c1ccco1 85501005 YPQBRDFATSQBEF-JTQLQIEISA-N 237.324 2.473 0 40 BEAB Cc1cccc(Sc2nccn(C)c2=O)c1 89677958 XPPRUCVVNRAWJU-UHFFFAOYSA-N 232.308 2.240 0 40 BEAB O=C(c1ccoc1)N1C[C@@H]2CC=CC[C@H]2C1 89885120 FHRUAQKDNDYZJU-QWRGUYRKSA-N 217.268 2.318 0 40 BEAB COc1cccc(CN)c1C(F)(F)F 91252369 FIQKCMDETAERAO-UHFFFAOYSA-N 205.179 2.173 0 40 BEAB C[C@H](NC[C@H](C1CC1)N(C)C)C(C)(C)C 95420556 MHYOZZSVDXYXMW-CMPLNLGQSA-N 212.381 2.351 0 40 BEAB CCCCN1C(=O)NN[C@@H]1c1ccccc1 95917950 VUTFABWFXOHKGE-NSHDSACASA-N 219.288 2.015 0 40 BEAB O[C@@H]1Cc2ccccc2[C@@H]1NC1CCSCC1 95969141 ZUBDGDRMDNVQLO-KGLIPLIRSA-N 249.379 2.130 0 40 BEAB C[C@H]1C[C@H]2CN(Cc3ccccn3)CC[C@@H]2O1 96045896 YJUILXHWEKGUKU-OBJOEFQTSA-N 232.327 2.081 0 40 BEAB O=C(O)Cc1ccc2c(c1)CCCS2 96869138 JGAJZLHGTFUIAA-UHFFFAOYSA-N 208.282 2.352 0 40 BEAB Cc1cc([C@H](C)NCc2nnc(C)o2)c(C)o1 97112018 CVBTZTJDPZGDED-QMMMGPOBSA-N 235.287 2.439 0 40 BEAB CC1(C)[C@@]2(CC(=O)O)CC[C@@]1(C)[C@@H](O)C2 103611310 AALGVLMQGQLLPJ-UWJYBYFXSA-N 212.289 2.038 0 40 BEAB Cn1cnnc1COc1ccccc1Cl 111364989 BPQLOGJDNWIUID-UHFFFAOYSA-N 223.663 2.048 0 40 BEAB CC[C@@]1(C)CCCN(C(=O)C(C)(C)CN)CC1 195543535 CPLOZHWRDMRHLG-AWEZNQCLSA-N 240.391 2.400 0 40 BEAB OC[C@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 218700320 CZENZKXMJJJJSR-MNOVXSKESA-N 214.211 2.177 0 40 BEAB CCCc1nnc(CCC)n1-n1cccc1 225150243 AJKXSOLTSRKWME-UHFFFAOYSA-N 218.304 2.296 0 40 BEAB CC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 225784236 ZHZWNSMXXNQTPO-MFKMUULPSA-N 201.269 2.467 0 40 BEAB CCCCNCc1c(C)nn(CC)c1F 256053473 ROTORVYYYGDBGV-UHFFFAOYSA-N 213.300 2.240 0 40 BEAB O[C@H](c1ccncc1Cl)C(F)(F)F 606281369 NWEJDUWNDSLWIE-ZCFIWIBFSA-N 211.570 2.331 0 40 BEAB Cc1ncnc(C(=O)Nc2ccccc2)c1C 1147062331 FZCAXLGPVZCTEA-UHFFFAOYSA-N 227.267 2.346 0 40 BEAB COC(=O)c1cc2c(Cl)c[nH]c(=O)c2s1 1776011117 LNWDMFBHELNWAV-UHFFFAOYSA-N 243.671 2.030 0 40 BEAB O=C(O)[C@H]1CCCC[C@]1(O)c1ccccc1 1146 VCZPUGSOJXZKIP-YPMHNXCESA-N 220.268 2.149 0 40 BEAB CCc1ccc(NC(=O)[C@H]2CCCO2)cc1 1480352 PQOQDDZZSPWZQT-GFCCVEGCSA-N 219.284 2.367 0 40 BEAB OCc1cccc2c1-c1c(CO)cccc1CC2 1689986 KXFNJTDCVGUMLJ-UHFFFAOYSA-N 240.302 2.437 0 40 BEAB Cc1ccc(C(=O)N(C)Cc2ccnn2C)cc1 2795578 ZLEARBUHZIYDIB-UHFFFAOYSA-N 243.310 2.001 0 40 BEAB COc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1 3754741 VHKOUIFYHWLPHA-CYBMUJFWSA-N 249.310 2.134 0 40 BEAB COC(=O)c1c(C)oc2ccc(OC)c(C=O)c12 4278997 HUXHRSNLZCRLPB-UHFFFAOYSA-N 248.234 2.349 0 40 BEAB COc1ccc(OC)c(CNc2ncccn2)c1 4689003 KUKDJBATTBKCIC-UHFFFAOYSA-N 245.282 2.106 0 40 BEAB Cc1ccc(C)n1-c1nnc(S)s1 5969352 FCVFEKRGDDZZII-UHFFFAOYSA-N 211.315 2.234 0 40 BEAB CCOCCCNCc1ccccc1OC 6536907 LHMNXXNIKGBETP-UHFFFAOYSA-N 223.316 2.211 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 7215165 IDLXROVVBKEMEG-ADEWGFFLSA-N 231.295 2.282 0 40 BEAB CCOc1ccccc1-c1ncc(C=O)cn1 8730979 AXDXQWZABFVDIC-UHFFFAOYSA-N 228.251 2.355 0 40 BEAB CC[C@@H](C)NC[C@@H](O)COc1ccc(C)cc1 10384156 CFICZWAOJCDSHZ-CHWSQXEVSA-N 237.343 2.123 0 40 BEAB COc1ccc([C@@H](C)CCN)cc1OC 11629518 XZGIXSLHJDKMKM-VIFPVBQESA-N 209.289 2.156 0 40 BEAB Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)O)c1 11890171 NXVNYFBAKNMHHU-LBPRGKRZSA-N 249.310 2.224 0 40 BEAB CCc1ccc[n+](-c2ccncc2CC)c1 13213246 CEFQHXJVCNICCU-UHFFFAOYSA-N 213.304 2.483 0 40 BEAB O=C(O)c1nccc2c1[nH]c1ccccc12 13383315 VNPNEGORDFERGK-UHFFFAOYSA-N 212.208 2.414 0 40 BEAB biogenic,in-vitro CCCn1c([C@@H](C)O)nc2cc(N)ccc21 14000463 ZVGPUXKEXKLMPC-MRVPVSSYSA-N 219.288 2.082 0 40 BEAB c1ccc2c(c1)CCN2C[C@H]1CCCCN1 19432496 UBKQHQUWTRMBHE-CYBMUJFWSA-N 216.328 2.191 0 40 BEAB O=C(O)CC1CCN(CCc2ccccc2)CC1 19685916 HLHSRFWKLPWOJG-UHFFFAOYSA-N 247.338 2.416 0 40 BEAB CC(C)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19790000 ZKNGMOFSLSZLST-MJBXVCDLSA-N 222.376 2.201 0 40 BEAB CC[C@H](C)C(=O)Nc1ccc(F)cc1N 20157324 KNIJIOAGILPXCD-ZETCQYMHSA-N 210.252 2.393 0 40 BEAB CCCn1ccc(NCc2ccn(CC)n2)n1 20350835 WAQKNOXDQDZJQU-UHFFFAOYSA-N 233.319 2.122 0 40 BEAB CC(=O)Nc1c(C(=O)O)[nH]c2cc(C)ccc12 22864441 VCVZVMDXDILDAP-UHFFFAOYSA-N 232.239 2.133 0 40 BEAB CCCc1cc(N)n(Cc2ccccc2)n1 26512156 DWNKJGGEYPPNSO-UHFFFAOYSA-N 215.300 2.466 0 40 BEAB CCn1ccc(NC(=O)c2ccoc2C)n1 28227971 PGVGCTQIWWFXHC-UHFFFAOYSA-N 219.244 2.057 0 40 BEAB COC(=O)[C@@H](N)c1cccc(Cl)c1Cl 37459751 RIAVGLDRZKVQHO-QMMMGPOBSA-N 234.082 2.166 0 40 BEAB biogenic Cc1cc(CSc2nncn2C2CC2)no1 40485846 CLRUSWLJCOQCCV-UHFFFAOYSA-N 236.300 2.202 0 40 BEAB CCN1CCN(C(=O)c2cc(C)ccc2C)CC1 46465709 LZVVKWIXSMCVAU-UHFFFAOYSA-N 246.354 2.081 0 40 BEAB Cc1cc(CN(C)C(=O)C2CCCC2)no1 47665450 IITLZLXCDHFIIQ-UHFFFAOYSA-N 222.288 2.132 0 40 BEAB Cc1cc(C(=O)O)ccc1OCC1CC1 54553313 QIYVAXWJLCQYHK-UHFFFAOYSA-N 206.241 2.482 0 40 BEAB Cc1ccc(CN)cc1Br 57937777 GDRGOJWXIJAVCR-UHFFFAOYSA-N 200.079 2.216 0 40 BEAB Cc1ccc2ccccc2c1Cn1nnnc1C 59488309 ZXMZJXMLYDQQGB-UHFFFAOYSA-N 238.294 2.491 0 40 BEAB CCCCCNCc1cnc(NCC)nc1 62717534 SOINQKQZXAYTLC-UHFFFAOYSA-N 222.336 2.188 0 40 BEAB c1cnc(N2CCC[C@@H](c3nccs3)C2)nc1 67448026 ZBQAUNADQKMSKC-SNVBAGLBSA-N 246.339 2.317 0 40 BEAB CC(=O)N1CCCC[C@@H]1c1ncccc1C 72211166 JFKULILQGJIIPR-GFCCVEGCSA-N 218.300 2.464 0 40 BEAB CC(C)NC(=O)c1nnsc1-c1ccccc1 72239964 DEWNRNCDYJVEND-UHFFFAOYSA-N 247.323 2.343 0 40 BEAB NCc1cncn1Cc1cccc(Cl)c1 75150300 RKKDIAHUZWPCED-UHFFFAOYSA-N 221.691 2.044 0 40 BEAB O=Cc1ccccc1C(=O)N1CCCCC1 75627622 MSMQOKAJYOPMIZ-UHFFFAOYSA-N 217.268 2.125 0 40 BEAB O=C(C1CC=CC1)N1CCO[C@H]2CCCC[C@@H]21 77737541 GXSJENUXPIHDHD-STQMWFEESA-N 235.327 2.123 0 40 BEAB COC[C@@H]1CCCN(c2cccc(F)n2)C1 79089842 GCHFXAPITXSJPF-SNVBAGLBSA-N 224.279 2.084 0 40 BEAB OC1CN(c2nc3c(Cl)cccc3s2)C1 85436303 RFVPGYJQTFBYAJ-UHFFFAOYSA-N 240.715 2.131 0 40 BEAB C[C@]1(CO)CCC[C@@H]1NC1Cc2ccccc2C1 95423319 VTUGGFUQZCLTCX-JKSUJKDBSA-N 245.366 2.295 0 40 BEAB CC[C@H](C)OCC(=O)Nc1ccc(O)cc1F 97238344 SZVACIXSOKYWCP-QMMMGPOBSA-N 241.262 2.285 0 40 BEAB c1cc(CCN2CC[C@H]3OCCC[C@@H]3C2)ccn1 98020593 WELWIQXHGYPTLW-HUUCEWRRSA-N 246.354 2.125 0 40 BEAB NC(=O)C(=S)Nc1cc(Cl)cc(Cl)c1 98175487 XEMGTECBVCEILQ-UHFFFAOYSA-N 249.122 2.218 0 40 BEAB C[C@@H](O)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 131807727 NJXCCGHKHZEURI-HNCHTBHHSA-N 211.349 2.172 0 40 BEAB Cc1ccc(CN2CCC[C@H]2Cn2ccnc2)o1 195573470 NCNYSLJOXAYNIJ-ZDUSSCGKSA-N 245.326 2.449 0 40 BEAB COC(=O)[C@H]1Nc2ccc(F)cc2C1(C)C 218697458 WPJUFAMIBGVIQW-SNVBAGLBSA-N 223.247 2.070 0 40 BEAB CC(=O)Nc1c(C)cc(N)cc1Br 226755831 MWJCHXJVHPEWJJ-UHFFFAOYSA-N 243.104 2.298 0 40 BEAB Cc1nn(C)cc1NCCc1ccccc1 230955923 QZHGHMHTSPUDEQ-UHFFFAOYSA-N 215.300 2.383 0 40 BEAB C[C@@H]1C[C@@H]2[C@H](N)C[C@H](C(F)(F)F)C[C@H]2O1 252528001 DXOFCJWXXLMFIJ-ANZWQOBJSA-N 223.238 2.080 0 40 BEAB Cn1cc(NCc2cnn(C3CCCC3)c2)cn1 256052696 OIAQNZUEENIOOY-UHFFFAOYSA-N 245.330 2.344 0 40 BEAB Cn1cnc2c(Cl)ncc(Br)c21 261508355 ROSAHQWALGNGSC-UHFFFAOYSA-N 246.495 2.384 0 40 BEAB Cc1ccccc1C(=O)NCc1cnoc1C 575604620 ASUXUXUSNCZRSP-UHFFFAOYSA-N 230.267 2.221 0 40 BEAB Cc1cc(C)n(C(C)n2nc(C)cc2C)n1 259274 XGOAPIRHXNVLFQ-UHFFFAOYSA-N 218.304 2.380 0 40 BEAB Cc1cc(C)n(CC(=O)c2ccccc2)n1 387733 IFLCTPSVDBUTLB-UHFFFAOYSA-N 214.268 2.383 0 40 BEAB O=C(NC1=NCCS1)c1ccc(Cl)cc1 513802 BOQSUZFVLCCQFM-UHFFFAOYSA-N 240.715 2.173 0 40 BEAB CCCCCN1CCC[C@H](OC(=O)N(C)C)C1 1731651 JCVNEDPQGZFHAT-LBPRGKRZSA-N 242.363 2.339 0 40 BEAB Cc1noc(C(Cl)(Cl)Cl)n1 2003744 ZHFWJCUKKDMFIV-UHFFFAOYSA-N 201.440 2.205 0 40 BEAB in-vitro O=C1N[C@H](c2ccco2)Oc2ccccc21 2232417 UYXVTPYSASEWGX-LBPRGKRZSA-N 215.208 2.101 0 40 BEAB Cc1ccc(NC(=O)C(=O)NCC(C)C)cc1C 3093181 XPVKIBKKEUSEGP-UHFFFAOYSA-N 248.326 2.014 0 40 BEAB CC(=O)Oc1ccc(-c2csc(N)n2)cc1 4245279 PQXZUTQWKRTPBP-UHFFFAOYSA-N 234.280 2.318 0 40 BEAB CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 5319708 QZIIPQKRIRMTHQ-UHFFFAOYSA-N 237.258 2.164 0 40 BEAB Cc1ccsc1/C=C1/SC(=N)NC1=O 5603293 NFDAWATZLGKCQD-QPJJXVBHSA-N 224.310 2.195 0 40 BEAB CCNCc1ccc(OC)c(OCC)c1 8227256 HLTCLMHTGLUYEP-UHFFFAOYSA-N 209.289 2.203 0 40 BEAB OCc1ccc(N2CCCCC2)c(F)c1 8701656 OVWZGIZXEBPUDG-UHFFFAOYSA-N 209.264 2.308 0 40 BEAB in-vitro CC(=O)Nc1cccc(C(=O)N[C@@H](C)C(C)C)c1 9364109 NIWYCIPEZMJNDW-JTQLQIEISA-N 248.326 2.419 0 40 BEAB CCCCC[C@H](CC)NC(=O)CCC(=O)O 11949043 FJCZZFYTGDGHLO-JTQLQIEISA-N 229.320 2.326 0 40 BEAB O=c1ccsn1-c1ccc(F)cc1F 12016284 JADAOSXHOPYZFS-UHFFFAOYSA-N 213.208 2.177 0 40 BEAB CCOC(=O)C1=C(N)S[C@H]2CCCC[C@@H]12 19626559 MHLOZPWQZPKMGT-SFYZADRCSA-N 227.329 2.025 0 40 BEAB CC1CCN(Cc2ccccc2CN)CC1 20284076 NBBLXVUSEVKIBE-UHFFFAOYSA-N 218.344 2.377 0 40 BEAB CCCC(=O)Nc1ccc(OC)c(N)c1 20342982 ZSPZAHCNYGTUHL-UHFFFAOYSA-N 208.261 2.016 0 40 BEAB Cc1ccc(C)n1Cc1ccc(C(=O)O)o1 20447571 DFULGDORCCKPKI-UHFFFAOYSA-N 219.240 2.444 0 40 BEAB C[C@H]1C[C@H]1C(=O)NCc1ccccc1F 21269946 ZSUNDFGRFWRAHX-WCBMZHEXSA-N 207.248 2.098 0 40 BEAB NCc1cccnc1N1CCc2ccccc2C1 22221129 QSVBXCSFWJZIKR-UHFFFAOYSA-N 239.322 2.103 0 40 BEAB O[C@H](CNc1ccccn1)c1ccccc1 22910921 ZEAJXCPGHPJVNP-GFCCVEGCSA-N 214.268 2.227 0 40 BEAB in-man CCOC(=O)C1CCN(c2ccccc2N)CC1 26896364 JGVAQBPBZSYFRN-UHFFFAOYSA-N 248.326 2.048 0 40 BEAB CCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)o1 27906269 HOXUNYYAZVMYEY-MWLCHTKSSA-N 237.299 2.139 0 40 BEAB CCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2O1 32768137 WMQZZYADZSJOTQ-ZWNOBZJWSA-N 233.311 2.295 0 40 BEAB Cc1ccc(C)c(NC(=O)c2cccc[n+]2[O-])c1 32932486 MVSRRADNKOGYIM-UHFFFAOYSA-N 242.278 2.189 0 40 BEAB C[C@@]12CC3(O)CC(C(=O)O)(C1)C[C@](C)(C3)C2 34224744 AUHXIJPALFNIHE-MPEURRAXSA-N 224.300 2.183 0 40 BEAB CC(C)[C@@H](NC/C=C/c1ccccc1)C(=O)O 35406889 PCVKXHHHEIEDHS-YSKGHYERSA-N 233.311 2.399 0 40 BEAB biogenic Nc1ccc(-c2noc(C(F)F)n2)cc1 35696737 HQMRHWNTDKHEAV-UHFFFAOYSA-N 211.171 2.256 0 40 BEAB CCOC(=O)CCOc1ccc(C(C)=O)cc1 36669090 AXGQWJIXCXLVDY-UHFFFAOYSA-N 236.267 2.221 0 40 BEAB in-vitro CCCc1c(C(=O)O)nnn1-c1ccccc1F 37312296 LNCBIKRQIUXEOO-UHFFFAOYSA-N 249.245 2.057 0 40 BEAB COc1cccc([C@H](N)c2ccccn2)c1 37466293 OPWJTMNXFGQJRI-ZDUSSCGKSA-N 214.268 2.138 0 40 BEAB CC(=O)OC[C@@H]1CO[C@H](/C=C/c2ccccc2)O1 38193059 DKIWWNQKPRLOOH-NCRJZKAISA-N 248.278 2.004 0 40 BEAB COCc1nc2cc(NC(=O)C3CC3)ccc2[nH]1 44917808 UHGREUFQFULZMY-UHFFFAOYSA-N 245.282 2.058 0 40 BEAB Cc1cc(C(=O)NCCc2ccccc2C)no1 45600627 MNCNALQVXURFSD-UHFFFAOYSA-N 244.294 2.264 0 40 BEAB Cc1ccsc1CNC(=O)NC1CC1 45841324 FEOWKXRNEMHDGO-UHFFFAOYSA-N 210.302 2.018 0 40 BEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccn(-c2ccccc2)n1 48331671 VZCHIDUJWUEHCE-PWSUYJOCSA-N 241.294 2.467 0 40 BEAB Cc1cc(NC(=O)Nc2c(C)noc2C)no1 49516691 GAXLSVOCCGBIIL-UHFFFAOYSA-N 236.231 2.232 0 40 BEAB COC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 55506532 BFZWFTYQVMTZEB-GFCCVEGCSA-N 237.274 2.136 0 40 BEAB CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 57792323 HZFGVRIGRCFKJH-WPRPVWTQSA-N 207.273 2.082 0 40 BEAB Cc1cnn([C@H](C)[C@H](C)NCc2cc(C)on2)c1 69562762 BSHOAKYEHIVCMS-NWDGAFQWSA-N 248.330 2.227 0 40 BEAB Fc1cccc2c([C@H]3CCNC3)c[nH]c12 71490326 SUNHDQPYXAYNHT-QMMMGPOBSA-N 204.248 2.384 0 40 BEAB Clc1ccc2nc(Br)cn2n1 72482103 IEFGTBVANORJCW-UHFFFAOYSA-N 232.468 2.145 0 40 BEAB C/C=C/CCNC(=O)CC1(O)CCCCC1 73726504 REWGOIQTCAXDQQ-NSCUHMNNSA-N 225.332 2.154 0 40 BEAB Cc1cnc(CNC(=O)CSC(C)(C)C)o1 75092656 UYAVYHZINUGHIP-UHFFFAOYSA-N 242.344 2.131 0 40 BEAB O=C(O)Cc1cccc(CC(F)(F)F)c1 79627793 JFXAFPPOYSDSCR-UHFFFAOYSA-N 218.174 2.419 0 40 BEAB O=Cc1cnc2cc(-c3ccccc3)nn2c1 82362817 COSRTRZHCBXHBW-UHFFFAOYSA-N 223.235 2.209 0 40 BEAB N[C@H]1CCCc2c1cnn2C1CCCC1 83744460 MXPJYMNEWLWANM-NSHDSACASA-N 205.305 2.334 0 40 BEAB CCc1ccc(C(=O)c2ncco2)cc1 85651147 RGPPIWUQJCYSKX-UHFFFAOYSA-N 201.225 2.468 0 40 BEAB COc1cc(OC)cc([C@@H]2CCC[C@H]2O)c1 87124272 IJCLFNYNISHGJX-QWHCGFSZSA-N 222.284 2.332 0 40 BEAB Cc1cccc(CNC2(C(N)=O)CCCCC2)c1 88538376 UTRZBCHSSPTIKM-UHFFFAOYSA-N 246.354 2.273 0 40 BEAB CS(=O)(=O)N[C@@H]1CCCCc2ccccc21 89486591 JZKIXXFUPOYTAJ-GFCCVEGCSA-N 239.340 2.003 0 40 BEAB COC[C@H](NC1Cc2ccccc2C1)C1CC1 90716694 ARZKJPFKROZFQF-HNNXBMFYSA-N 231.339 2.168 0 40 BEAB COC[C@H]1CN(Cc2ccc(C)c(C)c2)CCO1 93529132 OMFGVYILYPJMIZ-OAHLLOKOSA-N 249.354 2.151 0 40 BEAB CC(C)Cn1ncc2cc(Cl)c(N)nc21 96511248 NHGKARZSEBMPLL-UHFFFAOYSA-N 224.695 2.323 0 40 BEAB CCN(CC(=O)O)C(=O)C1(CC(C)C)CCC1 97035585 XDBQRHILWRNMQP-UHFFFAOYSA-N 241.331 2.136 0 40 BEAB Fc1cccc(CCCn2cncn2)c1 97047943 SZRKBZFSWSLPJH-UHFFFAOYSA-N 205.236 2.050 0 40 BEAB Cc1cccc2c1C1(CCNCC1)CO2 98213587 XOYJRWUULJCWJJ-UHFFFAOYSA-N 203.285 2.009 0 40 BEAB CC1(C)[C@@H]2CC[C@]1(C)c1nnc(S)nc12 100956415 UJACBIJGKMHVFB-KSBSHMNSSA-N 221.329 2.335 0 40 BEAB CN1CC[C@@H](CN)[C@H]1c1ccc(Cl)c(F)c1 101630852 ROGPDGDVTBVNPY-JOYOIKCWSA-N 242.725 2.431 0 40 BEAB in-vitro CC(C)n1cnc(I)c1 113535715 KQUPSESEAGXMQN-UHFFFAOYSA-N 236.056 2.069 0 40 BEAB c1ccc2c(C[C@@H]3COCCN3)cccc2c1 115404356 BWJGHJXEKSAXFU-CQSZACIVSA-N 227.307 2.371 0 40 BEAB Cn1cccc1CN1CCC[C@H](c2ccn[nH]2)C1 193856433 XTXGJDUMHJWIKD-LBPRGKRZSA-N 244.342 2.128 0 40 BEAB CC(C)=CCOC(=O)c1ccc2c(c1)nnn2C 195549691 LVAVYPAOAZYBBF-UHFFFAOYSA-N 245.282 2.091 0 40 BEAB Cc1n[nH]c(C)c1CN(C)Cc1ccncc1 195562018 YNICCQTYWQZCKE-UHFFFAOYSA-N 230.315 2.054 0 40 BEAB O=C(C1CCCC1)N1CCC[C@H]1c1cnccn1 205707098 YLVHOHZPBVSJJK-ZDUSSCGKSA-N 245.326 2.330 0 40 BEAB Fc1ccc(N2CCN[C@@H]3CCC[C@H]32)c(F)c1 218848387 DDGNWRZUMOVSQJ-DGCLKSJQSA-N 238.281 2.296 0 40 BEAB Cc1nc(C)c(Br)c(C)c1O 238509761 ZUTGJQXVOPBYHU-UHFFFAOYSA-N 216.078 2.475 0 40 BEAB NC[C@@H](CC(=O)c1ccccc1)C(F)(F)F 256054705 XKZZENNZLVZCPH-SECBINFHSA-N 231.217 2.397 0 40 BEAB Cc1c[nH]nc1[C@H]1CCN(CC2CCC2)C1 257258679 KVBQUYVWQREMIB-LBPRGKRZSA-N 219.332 2.308 0 40 BEAB Cc1nc(CN2CCC[C@H]3NCCC[C@@]32C)co1 257262525 LLTDWEIZTDKAFG-KGLIPLIRSA-N 249.358 2.090 0 40 BEAB N#Cc1cnccc1Oc1ccc(CO)cc1 399496534 IHCYMDXAYLPYTC-UHFFFAOYSA-N 226.235 2.238 0 40 BEAB Cc1cncc(O[C@H]2CCCC[C@H]2N(C)C)n1 585652423 ZPZUKVRAWYZNCA-NEPJUHHUSA-N 235.331 2.037 0 40 BEAB CC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 365421 YJHYLLFMJRSQLU-SECBINFHSA-N 235.283 2.458 0 40 BEAB O=C(O)c1ccc2c3c(ccc(C(=O)O)c13)CC2 391484 MCTYNCQPNKIMCL-UHFFFAOYSA-N 242.230 2.335 0 40 BEAB CC(C)(Cc1ccc(Cl)cc1)NC=O 394199 ZQYQYZCDYUIPFO-UHFFFAOYSA-N 211.692 2.407 0 40 BEAB Cc1cc(O)c(C(=O)Cc2ccccn2)c(O)c1 518846 GWRPPKBCCRMIRK-UHFFFAOYSA-N 243.262 2.227 0 40 BEAB biogenic COC(=O)c1ccccc1Oc1ncccc1N 712197 YVUIQDGGQYTXPX-UHFFFAOYSA-N 244.250 2.243 0 40 BEAB CCOCC(=O)Nc1cccc2cccnc12 2069574 WUOJSPXVSDKLTJ-UHFFFAOYSA-N 230.267 2.210 0 40 BEAB CC[C@H](CN(C)C)C(=O)c1ccccc1 4765060 OLCRURYNYDPVOI-LLVKDONJSA-N 205.301 2.457 0 40 BEAB O=C(O)CCN1CCC(Cc2ccccc2)CC1 4998599 ITMUQTABMZRAAP-UHFFFAOYSA-N 247.338 2.416 0 40 BEAB CN(C)c1cccc(NC(=O)c2cccnc2)c1 5334546 XWFQOXSYHYROJG-UHFFFAOYSA-N 241.294 2.400 0 40 BEAB CONC(=O)/C=C/c1cccc(Cl)c1 12623040 LJQGXGZUYIWXLC-AATRIKPKSA-N 211.648 2.031 0 40 BEAB CNC(=O)c1ccc(NC(=O)CC(C)C)cc1 13009590 QZKCPKXWSJHIMU-UHFFFAOYSA-N 234.299 2.031 0 40 BEAB Cc1ccc(F)cc1NC(=O)c1cnn(C)c1 14795338 QHOYOGIITKONKD-UHFFFAOYSA-N 233.246 2.120 0 40 BEAB C[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 19437174 LCUJMQMTEDSTLS-GXTWGEPZSA-N 246.354 2.335 0 40 BEAB O=C(O)c1ccc(CNc2ccccc2O)o1 26509864 FLIZOPWPBFAFQF-UHFFFAOYSA-N 233.223 2.296 0 40 BEAB Brc1ccc([C@]23CNC[C@H]2C3)cc1 27549652 KHJRUTSPEDPIBP-KOLCDFICSA-N 238.128 2.310 0 40 BEAB COc1cccc(C2CCNCC2)c1F 38539364 ZKSZGFKNWSXSCE-UHFFFAOYSA-N 209.264 2.301 0 40 BEAB O=C(O)Cc1cccc(-c2ccccn2)c1 38846188 XNCYUACPDCATQA-UHFFFAOYSA-N 213.236 2.376 0 40 BEAB CCOC(=O)c1cc(C(F)(F)F)ccn1 40566611 VHYPHUNCCISTMT-UHFFFAOYSA-N 219.162 2.277 0 40 BEAB Cc1cc(CN(C)Cc2cscn2)no1 42132262 XPHOYEVYMKEPSB-UHFFFAOYSA-N 223.301 2.072 0 40 BEAB CCC(CC)NC(=O)Nc1cccc(C(N)=O)c1 43715466 BWVMOAZOOPATEW-UHFFFAOYSA-N 249.314 2.096 0 40 BEAB C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1F 45293368 CGUXFWWFPRLSKX-ONGXEEELSA-N 221.275 2.140 0 40 BEAB c1cncc(-c2noc(-c3ccc[nH]3)n2)c1 45893711 INEUBAZFBRVVBF-UHFFFAOYSA-N 212.212 2.127 0 40 BEAB c1ccc(CNCCOc2ccccn2)cc1 45895508 KJKWLEDZWZRZMU-UHFFFAOYSA-N 228.295 2.250 0 40 BEAB CCC[C@@H](C)NCCC(=O)OC(C)(C)C 47218948 CZAYEBWYBQCNAX-SNVBAGLBSA-N 215.337 2.496 0 40 BEAB CC(C)[C@@H](C)NC(=O)COc1ccccc1 49535419 LLQQCEKCHIGHGI-LLVKDONJSA-N 221.300 2.226 0 40 BEAB COc1ccnc(COC(=O)c2ccoc2)c1 58401430 WGZSPDDTXRREJS-UHFFFAOYSA-N 233.223 2.040 0 40 BEAB Cc1c(C(=O)O)c2cc(F)ccc2n1C 59451733 SLDMCLUPIKEUSN-UHFFFAOYSA-N 207.204 2.324 0 40 BEAB O=C(C1CCC1)N(Cc1cccnc1)C1CC1 61073943 QJMVGUXTQHMVTR-UHFFFAOYSA-N 230.311 2.373 0 40 BEAB CCCCNCc1cnc(NCCC)nc1 62717676 AJLRYYGAOBFFGF-UHFFFAOYSA-N 222.336 2.188 0 40 BEAB Oc1n[nH]c2c1cnc1c(F)ccc(F)c12 64875145 VHPJQFIOGKKFJV-UHFFFAOYSA-N 221.166 2.095 0 40 BEAB NC(=O)c1cnc(-c2ccccc2F)s1 67778348 OXIHPOBVESQIJR-UHFFFAOYSA-N 222.244 2.048 0 40 BEAB OCc1cn(Cc2ccc(Cl)cc2)cn1 71607038 FRRMWBCTVSMECU-UHFFFAOYSA-N 222.675 2.077 0 40 BEAB Cc1cc(O)ncc1[C@@H]1CCCCN1C 72218154 MUMIHOHSBATYJF-NSHDSACASA-N 206.289 2.252 0 40 BEAB CCc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1 78739051 ZQARJYZAXJBHMC-QWRGUYRKSA-N 234.343 2.164 0 40 BEAB Cc1nc(N)sc1-c1ccnc(CC2CC2)n1 95629770 NBUROYAJOMCTFW-UHFFFAOYSA-N 246.339 2.443 0 40 BEAB Cc1ccc(NC(=O)Cc2c(C)noc2C)nc1 95946550 NHHPHMHRYMSELK-UHFFFAOYSA-N 245.282 2.176 0 40 BEAB Clc1cnc(NCCc2ccc[nH]2)nc1 96496748 FMAIKEDAFHGIPV-UHFFFAOYSA-N 222.679 2.113 0 40 BEAB COC(=O)[C@H](C)c1c(Cl)ncnc1Cl 97053697 IIXYHUAWJVEBDO-SCSAIBSYSA-N 235.070 2.060 0 40 BEAB CCCc1cc(N)c2cc(N)ccc2n1 98090957 UKXIWSVDCCRKDT-UHFFFAOYSA-N 201.273 2.352 0 40 BEAB CCCNC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100770973 SSBRZLQUFVASLA-ZIAGYGMSSA-N 237.343 2.298 0 40 BEAB COC(=O)CCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 103418969 UVQMZVZKKHPEQR-RISCZKNCSA-N 239.359 2.450 0 40 BEAB Nc1c(C(=O)O)sc2c(F)cccc12 107151388 UETLINNQLKWVRT-UHFFFAOYSA-N 211.217 2.321 0 40 BEAB O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]21 145566180 PTJMSNXGHGOXPN-VXGBXAGGSA-N 217.268 2.417 0 40 BEAB c1cn(C[C@H]2CCCN2Cc2cscn2)cn1 188398197 WQYWCXMFVVVZIN-GFCCVEGCSA-N 248.355 2.004 0 40 BEAB Cc1ccnc(OCc2cccnc2)c1 202717339 OWKPDTIMJAQSNL-UHFFFAOYSA-N 200.241 2.364 0 40 BEAB COC(=O)c1cccc(C(=O)[C@H](C)Cl)c1 379933880 WSPLXYAFEHWGBV-ZETCQYMHSA-N 226.659 2.283 0 40 BEAB NC[C@@](O)(c1ccsc1)c1cccs1 1775974773 PMGPBEKSXUWQFD-SNVBAGLBSA-N 225.338 2.004 0 40 BEAB