smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(CNC(C)C)ccc1N(C)[C@@H]1CCS(=O)(=O)C1 50560649 LRMRZOZQFDTCPX-OAHLLOKOSA-N 310.463 2.116 10 10 DECE CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1cccs1 100208377 NTIXBGDKWDEMOT-JLHYYAGUSA-N 321.398 2.457 10 10 DECE CN(C)c1ccc(CNC(=O)Cc2cn(C)c3ncccc23)cc1 65156037 ZEEYIJJBVRZRHF-UHFFFAOYSA-N 322.412 2.498 10 10 DECE CCO[C@@H]1C[C@@](CO)(NCc2ccc(OC)cc2O)C1(C)C 186591358 UKZIHJJGODBRPH-WBVHZDCISA-N 309.406 2.057 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1C1CC1 184462806 NGWMUPCGBWRPLW-UHFFFAOYSA-N 312.373 2.392 10 10 DECE C[C@H](c1cc(Br)ccc1O)N(C)CC(=O)N(C)C 132124508 VVEYBLLUTUMUQQ-SECBINFHSA-N 315.211 2.236 10 10 DECE CN1CCCc2cc(CNC(=O)/C=C/c3ccnn3C)ccc21 194923497 ZGZITJAIVGCBOK-SOFGYWHQSA-N 310.401 2.132 10 10 DECE Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccc(F)cc1 193893811 SEKISEVHJIODRZ-UHFFFAOYSA-N 317.364 2.227 10 10 DECE CCN1CC[C@H](N(C)Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 245769391 RJUFIZHDTSSWPB-JSGCOSHPSA-N 306.406 2.283 10 10 DECE C[C@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 277437478 SCRJLXWYKXWMBL-UWVGGRQHSA-N 308.765 2.466 10 10 DECE CN(C)c1ccc(CNCc2cnn(C)n2)c(C(F)(F)F)c1 808417678 AEGSICBJHFWZFD-UHFFFAOYSA-N 313.327 2.190 10 10 DECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC12CC2 817428854 YQOHEUKDJYOPKO-ZDUSSCGKSA-N 304.365 2.079 10 10 DECE COc1cccc(CNCc2cnnn2Cc2ccccc2)c1O 814169250 DBJGOAOIWXXONN-UHFFFAOYSA-N 324.384 2.330 10 10 DECE C[C@@H](C(=O)O)n1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821187205 TUTOMCOXPYVHSD-NSHDSACASA-N 323.352 2.215 10 10 DECE C[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 832431255 MMKJMNDZQWAQNG-OCCSQVGLSA-N 312.417 2.458 10 10 DECE COc1ccc(N(C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1OC 844283075 YLBDMJMBANFKKI-CYBMUJFWSA-N 306.362 2.123 10 10 DECE CC(C)(C)n1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 848809866 QOJWZFJUSDMQDY-UHFFFAOYSA-N 318.329 2.089 10 10 DECE COC[C@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC 852261296 PCPIIULHPGFXNS-BBRMVZONSA-N 323.437 2.164 10 10 DECE COc1c([N+](=O)[O-])ccc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1O 862517993 VRFGXMBBWGXMJI-YVNDNENWSA-N 310.350 2.211 10 10 DECE COc1cccc(O)c1CN1CCC(C)(N2CCOCC2)CC1 862503254 OISGNNGEFLFGCR-UHFFFAOYSA-N 320.433 2.088 10 10 DECE C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1F 777999917 LOMSRPMQPBNMRS-DTWKUNHWSA-N 309.297 2.110 10 10 DECE CCOc1ccc(N2CC[C@H](CNC[C@@H](C)O)C2)cc1OCC 76382887 TXXLYIRDBMYWJF-HUUCEWRRSA-N 322.449 2.281 10 10 DECE Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1O 1141505805 BWBSDJPSBBAIAY-UHFFFAOYSA-N 314.389 2.295 10 10 DECE COc1ccc(O)c(CNC(=O)C(F)(F)C2CCOCC2)c1 790788456 XUAGIZNCAXGYTC-UHFFFAOYSA-N 315.316 2.079 10 10 DECE C[C@@H]1CN(c2ccc(CO)c(Br)c2)C[C@@H](C)C1O 688082674 GGCZKSOXVLJRHK-NXEZZACHSA-N 314.223 2.395 10 10 DECE CN(CC(C)(C)S(C)(=O)=O)c1ccc(CO)cc1Cl 713920494 YGJKBQHNAFVZQY-UHFFFAOYSA-N 305.827 2.092 10 10 DECE CC(C)(O)CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)C1 1330342931 LKQZXOIMIYAPDU-KRWDZBQOSA-N 317.477 2.222 10 10 DECE CCCNCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1273211730 BRTCSHLHHQBMNN-LLVKDONJSA-N 305.382 2.357 10 10 DECE CC(=O)c1cncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 1296246042 JNFHQKQZBDNYCK-JTQLQIEISA-N 314.341 2.056 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCC1(c2ccccn2)CCC1 1467874120 XWPNFWISUSHPRF-UHFFFAOYSA-N 312.369 2.273 10 10 DECE CCOC(=O)/C=C/CN(C)CCN(C)c1ccc(OC)cc1 1473610090 KWGZPWHVRXOHMH-VOTSOKGWSA-N 306.406 2.183 10 10 DECE CCc1nc([C@H]2CCCCN2C(=O)c2cccc(O)c2O)no1 1628346630 HMQBAEOZXZNUME-LLVKDONJSA-N 317.345 2.411 10 10 DECE CCNCC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1724747801 IZUHWSAJKPMLGW-LBPRGKRZSA-N 317.393 2.311 10 10 DECE C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1O 1643742012 JZWRLVGFSXRQAP-ZBEGNZNMSA-N 311.337 2.351 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1nncs1 1945669955 XBSYUFASQHCCNR-UHFFFAOYSA-N 318.171 2.435 10 10 DECE CN1C[C@@H](N)C[C@@H]1c1ccc(NC(=O)OC(C)(C)C)cc1O 1952744320 OZKFEWCFVSZFPX-GXFFZTMASA-N 307.394 2.443 10 10 DECE Oc1cccc(Br)c1CN1CCOC[C@H]1CF 1971805926 WBXCUJJCQAQXBL-SECBINFHSA-N 304.159 2.325 10 10 DECE Nc1ccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 1977897407 QTCQVGZRSGLWTP-LBPRGKRZSA-N 315.339 2.159 10 10 DECE CC(C)(C)OC(=O)NC[C@@H](CC(=O)N1CC(N=[N+]=[N-])C1)C1CC1 1985093857 GJKMRPUMWUQPCZ-LLVKDONJSA-N 323.397 2.449 10 10 DECE C[C@@H](CCN)N(C)Cc1cc(Br)cc(F)c1O 1996761527 MMLQZTDEUZAYMU-QMMMGPOBSA-N 305.191 2.463 10 10 DECE CCOC(C)(C)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155557429 JEKJBSHOYCBRCI-NSHDSACASA-N 304.416 2.296 10 10 DECE Oc1c(F)cc(Br)cc1CNCC1[C@@H]2COC[C@@H]12 715819703 ZHHUCEYZPDQRAG-QWRGUYRKSA-N 316.170 2.276 10 10 DECE CCc1nnc(SCC(=O)N(C)c2ccc(N)cc2)s1 699317747 JLTWSYCUEZJHMG-UHFFFAOYSA-N 308.432 2.438 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170655406 CRPHWGGCGQUALC-OUAUKWLOSA-N 303.399 2.137 10 10 DECE Cc1ccc([C@@H](n2nc(C)c(C(N)=O)c2N)C2(C)CC2)c(O)c1 2079116895 VGAJZMWBTLLKPJ-CQSZACIVSA-N 314.389 2.276 10 10 DECE NCc1ccc(N2CC[C@H]3C[C@@]3(O)C2)c(F)c1Br 2051362304 MAVIFVVRXYMWMM-TVQRCGJNSA-N 315.186 2.008 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]32)cc1Br 2057977977 KGFQGSMCKRGUFW-LDZXTUBUSA-N 311.223 2.428 10 10 DECE Nc1ccc(CC(=O)N[C@@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189232041 AKQIOYKIGJCDRJ-WDEREUQCSA-N 304.337 2.364 10 10 DECE CN(Cc1cc(Br)ccc1O)c1cccn(C)c1=O 2224991074 RGNNDJOWMTVGNP-UHFFFAOYSA-N 323.190 2.490 10 10 DECE CN1CCc2cc([C@](O)(CF)CNC(=O)OC(C)(C)C)ccc21 2242760743 CTNOXQWMFIAEJN-KRWDZBQOSA-N 324.396 2.361 10 10 DECE CC1=CC(=O)N(Cc2ccc(C)c(Br)c2O)C1=O 2327630826 MDYFXQXJTFNDKJ-UHFFFAOYSA-N 310.147 2.278 10 10 DECE COc1cccc2c1O[C@H](C)C(/C=C1/SC(N)=NC1=O)=C2 8489040 SAQGMQCVXKXXQE-LQGZHCLWSA-N 302.355 2.332 10 10 DECE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCCC[C@H]3C2)cc1 177561035 BLGRJYLCAYYQAE-IRXDYDNUSA-N 315.461 2.491 10 10 DECE Cc1cc(C(=O)N2CCN3CCC2CC3)c(C)n1-c1ccccn1 188648475 QHFGBMXPHIQGQH-UHFFFAOYSA-N 324.428 2.409 10 10 DECE COc1cccc(CNC(=O)N(C)Cc2ccccc2O)n1 129234932 RMCNSFFSSVJBAJ-UHFFFAOYSA-N 301.346 2.137 10 10 DECE NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCN3)cc1 71215005 UGJPSHMHPVTCNB-UHFFFAOYSA-N 303.387 2.436 10 10 DECE Cn1nccc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 255077778 VUKCXEYWPUJHKO-HJWRWDBZSA-N 310.401 2.350 10 10 DECE COc1cc(O)c(CN2CCOC[C@H]2CC(F)F)cc1OC 285063601 ILHWWEIYOFRDFW-LLVKDONJSA-N 317.332 2.265 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1F 806685556 UWIQJRPPUSZFPD-CYBMUJFWSA-N 322.380 2.051 10 10 DECE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(O)cs1 822612690 JLPYTYHJJWBYMX-DLOVCJGASA-N 309.387 2.400 10 10 DECE COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)ccc1O 827489901 XUMAEXWBGHIXPW-HNNXBMFYSA-N 313.781 2.200 10 10 DECE Cc1nc2n(n1)C[C@H](NC/C=C\c1ccc(N(C)C)cc1)CC2 835035328 AQBVOBUUQVEQHJ-YIEVGGLXSA-N 311.433 2.270 10 10 DECE O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccccc1O 907054970 ATYLXQVICATILR-SECBINFHSA-N 312.580 2.130 10 10 DECE Cn1ncc(C2CCC2)c1C(=O)NCc1ccc(O)cc1O 910944871 XWPNQNFPMUCPLC-UHFFFAOYSA-N 301.346 2.029 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)/C=C/[C@H]2CCCO2)cc1 844855828 AWWSAJICYSFSEW-SXSDINLZSA-N 318.417 2.325 10 10 DECE CCN1C[C@H](CNC/C=C\c2ccc(N(C)C)cc2)CC1=O 846092069 SWMXPNOJJLVELY-KJPDOMRESA-N 301.434 2.224 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CC3(F)F)C2)cc1 855223371 GUTUPHCJUQFZQG-XHDPSFHLSA-N 310.344 2.435 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)cc1 855223232 DHRRGESMCOOAJZ-CQSZACIVSA-N 313.401 2.351 10 10 DECE CCON1CCC(CC(=O)NCc2c(O)cccc2F)CC1 928706178 OUBKRIONWNSLQV-UHFFFAOYSA-N 310.369 2.201 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1c1ccc(O)cc1O 1952796570 WEUNCVBYCFPBGU-YPMHNXCESA-N 323.345 2.481 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCC2COC2)cc1F 858206710 LYNAEPHBALBJIW-UHFFFAOYSA-N 309.385 2.118 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](N)Cc1ccc(O)c(O)c1 1952487744 BNSWXKRPMLPTDK-OLZOCXBDSA-N 322.405 2.367 10 10 DECE Cc1c(C(=O)NCCc2ccc(O)c(O)c2)sc2nccn12 764848821 KSDUEQFFHFOWBZ-UHFFFAOYSA-N 317.370 2.088 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@]12CCC[C@H]1OCC2 865859308 LFMLGIIZDYSALT-MSOLQXFVSA-N 302.418 2.324 10 10 DECE COC[C@H](C)OC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 867496622 GBSLUFVPNWNXAS-STQMWFEESA-N 308.378 2.035 10 10 DECE Cc1nn(C)c(C)c1CNC(=O)N[C@@H](C)c1ccccc1O 868355139 OCIHDPPLPBIKHP-JTQLQIEISA-N 302.378 2.303 10 10 DECE CCCC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 871201164 QXIXGBRNWQMDTB-CQSZACIVSA-N 316.401 2.273 10 10 DECE Cc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)s1 784336863 FHOGSCYWFUAVDP-UHFFFAOYSA-N 307.327 2.211 10 10 DECE CN(C)C[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896113142 ZWXYYQYFMUYNHJ-NSHDSACASA-N 320.414 2.479 10 10 DECE COCCN(CCF)C(=O)c1cc2cc(O)c(O)cc2s1 898677446 HDVXKJXJVWTODO-UHFFFAOYSA-N 313.350 2.371 10 10 DECE COc1ccc(O)c([C@@H](C)NCc2cnc(OC)nc2C)c1 799154120 BQAFENHLWHOOLM-LLVKDONJSA-N 303.362 2.359 10 10 DECE O=C(NCC(=O)N1Cc2cccc(O)c2C1)Nc1ccccc1 1302788113 UFVNTHIWVGMZEP-UHFFFAOYSA-N 311.341 2.056 10 10 DECE O=C(NC1CC1)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 1318084441 WAWYQZCPKGKWBY-OAHLLOKOSA-N 314.429 2.372 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2O 1914612173 ZOYGBYPROMKTEZ-PXAZEXFGSA-N 312.369 2.060 10 10 DECE CNC(=O)c1cccc(N(C)C(=O)/C=C\c2cnccc2C)c1 1538300752 SCVAZLQVAFXTQA-FPLPWBNLSA-N 309.369 2.426 10 10 DECE C[C@H](O)c1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917127751 OBLLSWSPEMCEDS-TVQRCGJNSA-N 318.186 2.413 10 10 DECE COc1ccc(CN[C@@H](CNC(=O)C(F)F)C2CC2)cc1C 1713103283 RACKOQPWFQYYJR-ZDUSSCGKSA-N 312.360 2.253 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1ccc(F)cc1 1635784786 TWINBIVORJYKSO-BTDLBPIBSA-N 319.332 2.018 10 10 DECE CC(=O)Nc1ccc(F)c(C(=O)NCc2cc(O)ccc2O)c1 1637122797 PKWRSPCWODWDJE-UHFFFAOYSA-N 318.304 2.125 10 10 DECE C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1O 1560075088 RWOVNONASJOBII-SNVBAGLBSA-N 315.329 2.250 10 10 DECE C[C@@](CO)(NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1639177558 JFAGSJAZKHYILY-KRWDZBQOSA-N 307.390 2.088 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccc(Cl)cc1 1638352445 OGFIDVOKWAEOTI-AWEZNQCLSA-N 307.733 2.101 10 10 DECE COc1cc(C(=O)NCc2cc(O)ccc2O)cc(OC)c1C 1644752558 KKKNUKGCKBDDQA-UHFFFAOYSA-N 317.341 2.353 10 10 DECE Cn1nc(C(C)(C)C)cc1C(=O)NCc1c(O)cccc1O 1652623711 ZVQCKESVHRYOPR-UHFFFAOYSA-N 303.362 2.059 10 10 DECE COc1ccc(N(CCc2ccccc2)CCn2cnnn2)cc1 1653680401 XOPDOLNCGKPALB-UHFFFAOYSA-N 323.400 2.431 10 10 DECE CC(=O)Nc1cc(F)ccc1C(=O)NCc1c(O)cccc1O 1597568637 IBTXQVRCJINZLY-UHFFFAOYSA-N 318.304 2.125 10 10 DECE COCCNCc1ccc(N2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1 164139602 MRALXNLBHSXBSV-OKILXGFUSA-N 310.825 2.444 10 10 DECE COCCNCc1ccc(N2CC[C@@H]([C@@H](C)O)C2)c(Cl)c1 167878445 PXGNPHGALSILDF-TZMCWYRMSA-N 312.841 2.283 10 10 DECE COc1cccc(CNC2(C(=O)NCC3CC3)CCCC2)c1O 154543472 ICMZKOZAYWGQGN-UHFFFAOYSA-N 318.417 2.329 10 10 DECE Cc1cccc(CNc2cnn(C)c(=O)c2Br)c1O 2139764415 QPFWWXJFAGKBCB-UHFFFAOYSA-N 324.178 2.169 10 10 DECE Cn1cnc(Br)c1CNCc1ccc2c(c1)CCO2 1964023774 OSHNHSOPVWGYGG-UHFFFAOYSA-N 322.206 2.407 10 10 DECE COc1ccc(Br)c(CN[C@H]2CCO[C@H]2C)c1O 1964569523 LIWKSNSJQSTIQV-KWQFWETISA-N 316.195 2.430 10 10 DECE NCc1ccc(N2C[C@@H](O)[C@@H](C3CC3)C2)c(Br)c1 2030227150 PKHGWHDXXIFBAF-BXUZGUMPSA-N 311.223 2.115 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2nncn2C)cc1Br 311813354 GZPYQXFPHGCAAI-VIFPVBQESA-N 324.226 2.234 10 10 DECE O=C(O)[C@]12C[C@H]1CN(Cc1c(O)cccc1Br)C2 706622927 ZWKNVTMSJBUETL-SDBXPKJASA-N 312.163 2.061 10 10 DECE C[C@H]1[C@@H](O)CCCN1c1cc(Br)c(CN)cc1F 395060099 PABBMEJAZCDMRZ-SDBXPKJASA-N 317.202 2.397 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3C(F)F)c(Cl)cc21 2171882348 LSLYXWZJBQNMNS-KOLCDFICSA-N 301.724 2.396 10 10 DECE NCc1ccc(N2CC[C@@H]2c2ncon2)c(Br)c1 2042318382 UJWOLKKOVTZZFI-LLVKDONJSA-N 309.167 2.242 10 10 DECE NCc1ccc(N2CCOC[C@H]2CF)c(F)c1Br 2062400636 XBRBVBIKDUBLHD-SECBINFHSA-N 321.165 2.222 10 10 DECE OCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c(Br)c1 2065401046 COYSXKHVSYAFQO-ZSBIGDGJSA-N 312.207 2.149 10 10 DECE CN(c1ccc(CN)cc1Cl)C1(CO)CCSCC1 2114726404 FZEIIOGRBZQASE-UHFFFAOYSA-N 300.855 2.493 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@]12C[C@H]2NC(=O)OC(C)(C)C 2243538963 PQTIQJKMFUMBIO-RWSFTLGLSA-N 323.397 2.449 10 10 DECE CSc1ncc(CNC(=O)N(CCC(=O)O)C(C)C)s1 2284505411 VEUBUZMZAPJHPI-UHFFFAOYSA-N 317.436 2.260 10 10 DECE COc1cccc(C=C2C(=O)NN(c3ccccc3)C2=O)c1OC 2296455803 QYKFXJGSUZEMRR-UHFFFAOYSA-N 324.336 2.165 10 10 DECE C[C@@H](O)c1ccc(N(C)CC2(O)CC2)cc1Br 2301882815 XECLEBMZKXCCTQ-SECBINFHSA-N 300.196 2.464 10 10 DECE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(Br)o1 228800116 ZXEHPGGTPMGPOC-JTQLQIEISA-N 317.143 2.330 10 10 DECE COc1ccc(O)c(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 190155939 MQQMUROHASFBIB-ZIAGYGMSSA-N 319.361 2.054 10 10 DECE CCOc1ccc(O)c(CN2C[C@H](C)N(CCOC)[C@@H](C)C2)c1 93479226 WDUFLSYPHJLLSC-GJZGRUSLSA-N 322.449 2.332 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNC2CCN(C3CCC3)CC2)c1 263644080 AWPHRWKNYUIKSZ-UHFFFAOYSA-N 305.378 2.407 10 10 DECE CCOc1cccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O 362334316 HIOBEBJZVLCDAS-GJZGRUSLSA-N 318.417 2.282 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(O)c(O)c2)[C@@H]([N+](=O)[O-])C1 382702523 DCWFUFPTIZCBON-QWRGUYRKSA-N 324.333 2.077 10 10 DECE C[C@H](NCc1cc(Cl)c(F)cc1O)[C@H](C)N1CCOCC1 293736520 WVXMEWNPUGTGFS-QWRGUYRKSA-N 316.804 2.384 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](OC1CCCC1)c1ccccc1 808512059 FNLXJLQMGIIQMX-MRXNPFEDSA-N 304.342 2.388 10 10 DECE O=[S@@](CCNCc1cccc(Cl)c1O)CC(F)(F)F 826868658 UVWYINFOOSLSPS-IBGZPJMESA-N 315.744 2.446 10 10 DECE CCc1cccc(CN[C@@H](C)CN(C)CCCN(C)C)c1O 826904109 WEYJJGQDTXZJPY-HNNXBMFYSA-N 307.482 2.316 10 10 DECE Cc1cc(CN2CC[C@H](CN3CCOC3=O)C2)ccc1N(C)C 830130352 WISXGFGHEXBGDY-INIZCTEOSA-N 317.433 2.335 10 10 DECE CN(C)c1cc(C(=O)NCc2ccccc2O)cc(Cl)n1 733360822 VRCONOUKXHVDQR-UHFFFAOYSA-N 305.765 2.437 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@@H]1CSCCS1 921390794 VLCWAUZRKRTXGP-SECBINFHSA-N 316.423 2.179 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CCCC(C)=O)C2)cc1 855228598 DVWPTIPYOFPKLC-CQSZACIVSA-N 304.390 2.149 10 10 DECE COc1cc(N2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OC 853934043 NEMKGUDCDHQCIJ-WDEREUQCSA-N 308.334 2.085 10 10 DECE COC(=O)/C=C/c1ccc(N2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 853861483 BQAMNQVCUUQAEO-CFLAWFISSA-N 320.345 2.131 10 10 DECE C[C@@H](CN(C)CCCN(C)C)N[C@@H](C)c1ccc(F)cc1O 850500298 FSERDYPQGFNBJU-KBPBESRZSA-N 311.445 2.454 10 10 DECE C[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 852790762 BDRNZDLAJGDFFF-COXVUDFISA-N 319.449 2.074 10 10 DECE CC(=O)c1cc(F)cc(CN(C)[C@H](CN)C(F)(F)F)c1O 852762755 VRFXRHDPCOWEEA-LLVKDONJSA-N 308.275 2.055 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(C)(C)F 868837525 ALJMPQZEGUTTRR-UHFFFAOYSA-N 323.412 2.413 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COCC(F)F 862002231 OSMLVDYAPGQUJN-GFCCVEGCSA-N 314.376 2.390 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 871199023 RFICWLPUBLUXEG-SNVBAGLBSA-N 306.362 2.148 10 10 DECE CCC(=O)NC1(CNCc2ccc(OC)c(C)c2)CCOCC1 1327606717 GRHQGQSCVVMVME-UHFFFAOYSA-N 320.433 2.169 10 10 DECE Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1O 1456232879 CHTDCWAELPESKV-UHFFFAOYSA-N 302.286 2.244 10 10 DECE O=C(Cc1ccn(-c2ccccc2)n1)NCc1cc(O)ccc1O 1471661683 YBEIYAJXXMQNCP-UHFFFAOYSA-N 323.352 2.142 10 10 DECE Cc1nn(C)c(C)c1NC(=O)c1ccc(N=NC(N)=O)cc1 1624542031 XSQWQQVDNZCCJK-UHFFFAOYSA-N 300.322 2.452 10 10 DECE CC(=O)N(CC(=O)NCc1cc(C)ccc1O)c1ccccc1 1629740856 QSMZNLQZYPZHGH-UHFFFAOYSA-N 312.369 2.370 10 10 DECE O=C(NCc1c(O)cccc1O)c1csc([C@H]2CCCO2)n1 1635847885 VQGSIIPJKXOGED-CYBMUJFWSA-N 320.370 2.336 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1cccc(F)c1 1566344085 SCRMLJOPQSUDIV-DYZYQPBXSA-N 319.332 2.018 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cccc2ncnn12 1640919824 BZSXAHMORKSYHY-UHFFFAOYSA-N 302.721 2.018 10 10 DECE COCCNCc1ccc(N2CCCN(C)CC2)c(Cl)c1 163932057 FXCDJFFYZUCOED-UHFFFAOYSA-N 311.857 2.218 10 10 DECE CN(C)c1ccc(Cn2nccc2NC(=O)c2cnccn2)cc1 154167411 FPHGIGBRAZEZFL-UHFFFAOYSA-N 322.372 2.040 10 10 DECE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](N)c1ccccc1O 1936986511 ISCFXBRCFJZBOZ-YUELXQCFSA-N 322.405 2.274 10 10 DECE CC[C@H](NC[C@H](CO)NC(=O)OC(C)(C)C)c1ccccc1O 1985858016 XGBMBDGRHKTUIR-OCCSQVGLSA-N 324.421 2.319 10 10 DECE Nc1ccc(NC(=O)N(OCc2ccccc2)C2CNC2)cc1 1989307574 KTHZCZJKILZFAK-UHFFFAOYSA-N 312.373 2.206 10 10 DECE Oc1ccccc1CNC[C@H]1COCCN1Cc1ccccc1 1990437894 WZPXYHLEKAPTIQ-SFHVURJKSA-N 312.413 2.383 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NCc1ccc(O)cc1O 400482350 WNHJYXHLZZTDEK-ZLDLUXBVSA-N 320.389 2.195 10 10 DECE C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1O 714359457 LCDWTGKSDVXWTJ-PWSUYJOCSA-N 301.383 2.149 10 10 DECE CN(C)Cc1cnn(Cc2cccc(C(F)(F)F)c2O)c1O 2070568970 QEVNFMLYDDIHMZ-UHFFFAOYSA-N 315.295 2.423 10 10 DECE CCCN(CCS(C)(=O)=O)[C@@H](C)c1cc(F)ccc1O 2170135009 ZQABTUSXCGVGER-NSHDSACASA-N 303.399 2.349 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)[C@H](C)c1cc(F)ccc1O 2170510931 DWKJHQYCMJEQAM-GHMZBOCLSA-N 303.399 2.347 10 10 DECE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CC[C@H]1CO 2046673635 TWSKIWBUYAUTMA-MNOVXSKESA-N 314.223 2.396 10 10 DECE OC[C@H](F)C1CC(NCc2cc(Br)ccc2O)C1 2078436127 VSWHNGTTWLPVLW-PVTSGAJSSA-N 318.186 2.353 10 10 DECE CCCn1cc(C=C2C(=O)NC(=O)N(C)C2=O)c2ccccc21 2296938616 AKMLIQOIZFAZQX-UHFFFAOYSA-N 311.341 2.143 10 10 DECE COc1cccc(C=C2C(=O)NN(c3cccc(C)c3)C2=O)c1 2297361570 QKDXFGUNFUIKDT-UHFFFAOYSA-N 308.337 2.465 10 10 DECE C[C@@H](O)c1ccc(N(C)CC2(O)CC2)c(Br)c1 2301917511 QEZNRFCWVRZEAT-SECBINFHSA-N 300.196 2.464 10 10 DECE CCN1C(=O)NC(=O)C(=Cc2c(OC)ccc3ccccc23)C1=O 2313631540 QDZHFHBXMNFVQQ-UHFFFAOYSA-N 324.336 2.330 10 10 DECE CN(Cc1c(O)cccc1Cl)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361664312 HFQDDRRTORNCDD-MNOVXSKESA-N 317.838 2.443 10 10 DECE OCCSCCNCc1cc(OC(F)(F)F)ccc1O 2361159062 HYKYAHMDVPTISY-UHFFFAOYSA-N 311.325 2.106 10 10 DECE CCN(Cc1cc([N+](=O)[O-])ccc1O)C[C@@H](O)C(F)(F)F 189538967 CYFZFKXKKNLAMA-LLVKDONJSA-N 308.256 2.046 10 10 DECE C[C@@H](c1ccncc1)N(C)S(=O)(=O)Cc1ccc(N)cc1 40335401 JHJWXUDGUPOMNJ-LBPRGKRZSA-N 305.403 2.187 10 10 DECE CN1CCC(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 291626020 ZQFWYRRRMBPSRE-UHFFFAOYSA-N 307.413 2.240 10 10 DECE CC[C@H](OC)C(=O)NCc1cc(Br)ccc1O 804735247 RRNIMQYBCBVFQA-NSHDSACASA-N 302.168 2.196 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2Cl)[nH]n1 808503128 ZCKGPCGYARSLRU-UHFFFAOYSA-N 306.705 2.045 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CC12CC2 817234917 DUOWMDGBTLRZCW-HNNXBMFYSA-N 316.401 2.054 10 10 DECE COc1ccc(N2CC[C@H](CN[C@@H]3CN(C)C[C@@H]3C)C2)cc1 818221482 NHCWGNQDHZPLOD-HDMKZQKVSA-N 303.450 2.061 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C(=O)O)O1 901934763 OIAJEVMZOKIJKX-PBHICJAKSA-N 318.417 2.351 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@@H]1COC[C@H]1c1ccccc1 830558817 CMIXAIWLAIRAEY-LSDHHAIUSA-N 313.353 2.144 10 10 DECE Oc1c(Br)cccc1CN1C[C@@H]2CCC[C@H](C1)N2 843103932 FBLXGILEDNGVTR-TXEJJXNPSA-N 311.223 2.481 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(OC)C3CC3)C2)cc1 855223536 BNRYIZXBRWOHLB-KDOFPFPSSA-N 318.417 2.205 10 10 DECE CCOc1ccc(N(CC)Cc2coc(S(N)(=O)=O)c2)cc1 851830399 UNWWBEZSPUHGGO-UHFFFAOYSA-N 324.402 2.352 10 10 DECE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]21 869824853 BCFCHIUVRFIXHG-UBGXNCCGSA-N 317.385 2.119 10 10 DECE COC(=O)c1cncc(NC(=O)N(C)Cc2ccccc2O)c1 776478789 CEJCHCZAQYACIA-UHFFFAOYSA-N 315.329 2.238 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NCc1ccc(O)cc1O 1896418052 CZXBGGFPWVTYOF-FZMZJTMJSA-N 322.405 2.491 10 10 DECE Cc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c(O)c1O 780933392 WUZVFQSTMCCQEZ-STQMWFEESA-N 306.406 2.399 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CC[C@H]1[C@@H](O)C2 899755118 IUSRAGLESGGTFR-LSJOCFKGSA-N 319.382 2.298 10 10 DECE CCN1CN(Cc2cc(C)cc(Br)c2O)CC1=O 792196624 PLFKQELBRZUIIF-UHFFFAOYSA-N 313.195 2.085 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Nc1ccccc1N 1959350486 CYMXRRAROPCSBY-SMDDNHRTSA-N 307.394 2.220 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCC[C@H]1O 1154026798 OADMONYECMAIPB-FPMFFAJLSA-N 307.390 2.086 10 10 DECE Nc1c(C(=O)NCc2ccccc2O)cnn1Cc1ccccc1 1150536959 VVLSRXIUQWRVTF-UHFFFAOYSA-N 322.368 2.149 10 10 DECE COc1ccc(N(C)CCN(C)CCOC2CCOCC2)cc1 1331396725 PEEYNSLXHQLLDK-UHFFFAOYSA-N 322.449 2.259 10 10 DECE C[C@H](NC(=O)CCCCCO)c1ccc(N2CCOCC2)cc1 1442417026 ZLQCTHXBJXGKGL-HNNXBMFYSA-N 320.433 2.253 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cnn(C(F)F)c1 1299725259 KYXVPURFBULFBW-UHFFFAOYSA-N 318.283 2.462 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2ccccn2)cc1C 1713293209 JRSWKKIYZOAQFI-AWEZNQCLSA-N 313.401 2.307 10 10 DECE C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 1631593727 RBQSJPVMEMZSTH-GXFFZTMASA-N 315.377 2.204 10 10 DECE COc1ccc(CN[C@H](C)CCNC(=O)CC(C)(C)O)cc1C 1690841047 DBBDVAMRKGGGFR-CQSZACIVSA-N 322.449 2.149 10 10 DECE CC1(NC(=O)OC(C)(C)C)CC(O)([C@@H](N)c2ccccc2O)C1 1920331906 DYJVRGJMYDUAMQ-IGEOTXOUSA-N 322.405 2.200 10 10 DECE Cc1cccc(CNS(=O)(=O)c2cnc(Cl)s2)c1O 2139740919 FGEFFMPEYSLWDM-UHFFFAOYSA-N 318.807 2.289 10 10 DECE CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 233995586 ZTPDJSDWGYBCSD-UONOGXRCSA-N 314.476 2.362 10 10 DECE CCCN(CCN)Cc1cc(Br)cc(F)c1O 1943078052 RGXJAOCTANLGAF-UHFFFAOYSA-N 305.191 2.465 10 10 DECE COc1cccc(O)c1[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1952757130 MNJWTEFSCLUVCE-JDNHERCYSA-N 323.345 2.225 10 10 DECE Oc1ccc(Br)cc1CNC[C@@H]1OCC[C@H]1F 2009187943 RWDWPUFTYUQAQN-PWSUYJOCSA-N 304.159 2.371 10 10 DECE NCCC1CN(Cc2cc(Br)cc(F)c2O)C1 2022088218 NBNMHZVKRMYSMN-UHFFFAOYSA-N 303.175 2.074 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2CC[C@H]3O)c(Br)c1 2028288178 MPTBPMLZYKKQEL-JTNHKYCSSA-N 311.223 2.257 10 10 DECE CCC(CC)N1C[C@H](C(=O)Nc2ccc(O)c(O)c2)CC1=O 2063217235 HKROWKYJRUMCSQ-SNVBAGLBSA-N 306.362 2.073 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)c(Br)c1 2052053820 OIDSCTVXTPXCPG-WQURNTSKSA-N 311.223 2.428 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]32)c(Br)c1 2057979949 WMEFYLHLTYAJAP-LMVZTGKYSA-N 311.223 2.428 10 10 DECE C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cc(F)ccc1O 2206001937 QOTIRBGNPCGJNS-BHYNMZESSA-N 301.383 2.148 10 10 DECE [N-]=[N+]=NCC1CCN(C(=O)C(Cl)=C(Cl)C(=O)O)CC1 2225796077 UCFUEMZOTNTZQI-UHFFFAOYSA-N 307.137 2.309 10 10 DECE CSc1ncc(CNC[C@@H]2C[C@H]3COCC[C@@H]3O2)s1 2269192798 HHADUVIFUJXPLC-NHCYSSNCSA-N 300.449 2.149 10 10 DECE CN1C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 2293579771 GGVKJFWPSARSFS-UHFFFAOYSA-N 324.339 2.155 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2C[C@H](C)C[C@H]2C(=O)O)s1 2284537444 NQJTWPZLPSKOIH-FXBDTBDDSA-N 314.432 2.228 10 10 DECE O=C(C=Cc1cnc2ccccc2n1)N1CCOc2ncccc21 2297783644 OXCAYOYSNSBWDO-UHFFFAOYSA-N 318.336 2.464 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N(C[C@H]1CCOC1)C1CC1 2307986766 ZXPWMERRAROYIN-CYBMUJFWSA-N 303.358 2.139 10 10 DECE Cc1ccc(CN(C)CC[S@](C)=O)c(O)c1Br 2307460000 FHVRXPXWYJUVSJ-KRWDZBQOSA-N 320.252 2.273 10 10 DECE N[C@@H]1C[C@@H]2C[C@H](C1)N(Cc1cc(Br)ccc1O)C2 2310965285 PWAHOBFPYFDPMZ-OASPWFOLSA-N 311.223 2.466 10 10 DECE Cc1ccc(CN(C)[C@H](C)C(=N)NO)c(O)c1Br 2327553140 NOTLILIJBHCIPW-MRVPVSSYSA-N 316.199 2.239 10 10 DECE Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1O 177658886 GRSILNPOJFEMDC-UHFFFAOYSA-N 312.369 2.369 10 10 DECE Nc1ccc(CCNS(=O)(=O)Cc2ccccc2F)cc1 193336955 AZORQJIPNPWBEO-UHFFFAOYSA-N 308.378 2.070 10 10 DECE Nc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)s1 236349151 GKRHQZYJJOBNKF-UHFFFAOYSA-N 304.780 2.490 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CC(C3CCOCC3)C2)c1O 800530997 ZZKXEAUBRVMIGH-UHFFFAOYSA-N 322.361 2.167 10 10 DECE CC[C@@H](OC)C(=O)NCc1cc(Br)ccc1O 804735246 RRNIMQYBCBVFQA-LLVKDONJSA-N 302.168 2.196 10 10 DECE Cn1cc(C[C@@H](O)CCc2ccc(N)cc2)c(Br)n1 713825035 DQWVNWYOYZTVIO-ZDUSSCGKSA-N 324.222 2.301 10 10 DECE COC[C@@H]1CCN1Cc1cc(Br)cc(OC)c1O 816636907 LNDZGJLVDWHJMY-NSHDSACASA-N 316.195 2.384 10 10 DECE CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 823181854 QACDBFQGSHSPRL-KGLIPLIRSA-N 300.358 2.372 10 10 DECE CCn1nc(C)cc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 729534768 CNEQGBZDNVUDDF-NSHDSACASA-N 303.362 2.417 10 10 DECE COc1cc(O)c(CN2CCC[C@](O)(C3CC3)C2)cc1OC 827152396 TUPXHJUONYHWIN-QGZVFWFLSA-N 307.390 2.146 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1c1ccccc1 830558816 CMIXAIWLAIRAEY-HUUCEWRRSA-N 313.353 2.144 10 10 DECE C[C@@H]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 900911647 AWTGEEXIBMBMFE-SNVBAGLBSA-N 320.414 2.384 10 10 DECE COC(=O)/C=C\c1ccc(N(C)CC(F)F)c([N+](=O)[O-])c1 733190315 SLZKROBYCUIPJU-XQRVVYSFSA-N 300.261 2.482 10 10 DECE 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311.794 2.104 10 10 DECE CCSC1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 383307443 OWLHOQZXTXHKPI-UHFFFAOYSA-N 314.476 2.316 10 10 DECE CC1(C)CN(c2ccc(CN)c(Br)c2F)C[C@@H]1O 387689337 MYEZMXBBRBZJMZ-JTQLQIEISA-N 317.202 2.254 10 10 DECE Cc1cc(O)n2ncc(C(=O)Nc3cc4c(cn3)CCCC4)c2n1 2062456592 BQDZHGNJSUZQBI-UHFFFAOYSA-N 323.356 2.269 10 10 DECE CCOC(=O)c1cn([C@H](C)c2c(O)cccc2OC)nc1O 2070631456 TUHKUFDCCCKTDO-SECBINFHSA-N 306.318 2.089 10 10 DECE CCNC(=O)c1cc(C)nn1[C@H](C)c1ccc(OC)cc1O 2070124935 JKASAEAEQXVLKF-LLVKDONJSA-N 303.362 2.265 10 10 DECE OCc1ccc(N2C[C@H]3C[C@H]2CN3CC(F)F)c(Cl)c1 2188316081 BRTMCSNOTILWQR-MNOVXSKESA-N 302.752 2.360 10 10 DECE O=C(O)C1=CCN(Cc2ccc(Br)cc2O)CC1 2048898122 ZFGXFOAMVOTPRI-UHFFFAOYSA-N 312.163 2.371 10 10 DECE CN(C[C@@]1(C)CSCCO1)c1c(F)cc(CO)cc1F 2201230877 BMSJETQDTKDNGG-AWEZNQCLSA-N 303.374 2.415 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NCc2ccc(O)cc2O)C1 2212431380 WPXRSXTUXUTHPX-YVEFUNNKSA-N 320.389 2.197 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2nn(C)nc2Br)cc1 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Cc1nc(Cl)ccc1S(=O)(=O)N(C)c1ccc(N)cc1 2162762819 UADPUOIWVRYTJV-UHFFFAOYSA-N 311.794 2.451 10 10 DECE Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c(O)c1O 825599027 LSUNYOIOIFPVEY-JSGCOSHPSA-N 305.374 2.199 10 10 DECE C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)O 831003820 CDUJXGRRRUWQSO-IUODEOHRSA-N 319.405 2.005 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CC2(CCOCC2)C1 839140898 KIIBBIHCTWFOIQ-UHFFFAOYSA-N 302.418 2.136 10 10 DECE C[C@H](CC(=O)N(CC(=O)O)Cc1ccccc1O)C(F)(F)F 911492371 DRTHPWDVLSLMQF-SECBINFHSA-N 319.279 2.394 10 10 DECE Cc1cc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Cl)c1 840941467 AXSAVITXRYPEPJ-RWSFTLGLSA-N 308.809 2.440 10 10 DECE CCN(C[C@H](O)COC[C@H]1CCCO1)c1ccc(OC)cc1 747681516 AOULTPGMXBMNSN-DOTOQJQBSA-N 309.406 2.078 10 10 DECE CCN(CC)c1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1F 858228015 XGVZHGYZSMLCMK-SJORKVTESA-N 310.413 2.301 10 10 DECE CCc1onc(C)c1CNC(=O)NCc1ccc(OC)cc1O 927836805 ZNJDIWIJZBRLAP-UHFFFAOYSA-N 319.361 2.259 10 10 DECE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(N2CCSCC2)cc1 756096618 BHLQAIYTEATAIN-PBHICJAKSA-N 305.491 2.280 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)/C=C\c3ccc[nH]3)C2)cc1 855227981 SNTPEGRZVYZPKO-NOKKCYSASA-N 311.385 2.432 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)c1 858546490 ABTLRKDGKYNVAB-NKFCBESUSA-N 305.374 2.397 10 10 DECE CN1CCN(c2ccc(CNC[C@]3(C)CCCCO3)cc2)CC1 922820104 OHEXXCKXJITEPS-IBGZPJMESA-N 317.477 2.487 10 10 DECE CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccccc1O 763481089 QXLHHDXZOSREED-OAHLLOKOSA-N 300.358 2.051 10 10 DECE CCOC(=O)C1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 868299415 CQINKWMHKWVPGX-LBPRGKRZSA-N 320.389 2.486 10 10 DECE C[C@H](Cc1ccc(O)cc1)N1Cc2c(O)cc(O)cc2[C@H](O)C1 888085109 UKGGVIFYDPDSAG-ADLMAVQZSA-N 315.369 2.284 10 10 DECE Cc1cc(Br)c(O)c(CN2C[C@H]3C[C@]3(CO)C2)c1 783746835 YPFPHTKNKCJVEC-BXUZGUMPSA-N 312.207 2.277 10 10 DECE COc1ccc(O)c(CNC[C@@H](O)Cc2ccccc2F)c1 895748816 JXGRBFYNJPEKSB-AWEZNQCLSA-N 305.349 2.233 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(CCOC2)C1 897864967 UOLIMOGANJHHRZ-UHFFFAOYSA-N 305.355 2.175 10 10 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1472317033 SEHDTDMCMMZVTP-UHFFFAOYSA-N 316.748 2.257 10 10 DECE CCN(C)c1ccc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 1619792067 QKXPRFWTXXYKPN-GOEBONIOSA-N 303.406 2.073 10 10 DECE COc1cc(CC(=O)NCc2cccc(O)c2O)ccc1C 1644708839 SJYFPACJPZBRQO-UHFFFAOYSA-N 301.342 2.274 10 10 DECE CC(C)CNCc1ccc(N2CCO[C@@H](CO)C2)c(Cl)c1 167289951 QORQASNDSUHJMY-CQSZACIVSA-N 312.841 2.283 10 10 DECE Nc1ccc(CN2CCC(NC(=O)c3ccncc3)CC2)cc1 586047882 SCSDFUMOVZWQCG-UHFFFAOYSA-N 310.401 2.058 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]4CC[C@@H]43)c(Br)cc21 1923967602 CLULJLYQHIUGMU-LCHGKGQCSA-N 322.206 2.390 10 10 DECE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)CCO1 231838696 JSEJYSOUVNCTLI-MRVPVSSYSA-N 303.175 2.272 10 10 DECE CNCc1ccc(N2CCN(C)C[C@@H]2C)cc1Br 234447984 ZUIOLOQQLXWJGJ-NSHDSACASA-N 312.255 2.309 10 10 DECE C[C@@H](O)C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951688505 GUGSMLOCDPNJKZ-PWSUYJOCSA-N 311.378 2.305 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1985093533 AVDORBYCBPFERN-BONVTDFDSA-N 323.397 2.401 10 10 DECE N[C@H](c1ccccc1O)[C@H](O)c1ccn(Cc2ccccc2)n1 1992804735 UOJCLSLTWXETCT-QZTJIDSGSA-N 309.369 2.370 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c(Br)c1 2029644779 KPDLNXIFOXSCCU-CHIMOYNISA-N 311.223 2.287 10 10 DECE OC[C@H]1CCN1c1ccc(CNC2CC2)cc1Br 2031685868 GLMZDDAKUNVOOZ-GFCCVEGCSA-N 311.223 2.272 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ncncc1Br 691689352 MVTSGBMMGVDGEO-SSDOTTSWSA-N 311.143 2.154 10 10 DECE CC1=CCN(c2cc3c(cc2Br)[C@@H](O)C(=O)N3)C1 2077057469 TUHIFAHCZKBACV-GFCCVEGCSA-N 309.163 2.201 10 10 DECE COc1ccc(Br)c(CNCc2cccnn2)c1O 2227750547 YYODSPCOMLIACU-UHFFFAOYSA-N 324.178 2.243 10 10 DECE CCO[C@H]1C[C@@](N)(CNCc2cnc(SC)s2)C1(C)C 2284727404 MMUQGOARDYWCML-SMDDNHRTSA-N 315.508 2.487 10 10 DECE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 2294133748 GYUSCFXBCDVVCO-UHFFFAOYSA-N 322.320 2.367 10 10 DECE COc1ncnc(NCc2cnc(SC)s2)c1[N+](=O)[O-] 2284508272 QIJZYBBSCLECNO-UHFFFAOYSA-N 313.364 2.184 10 10 DECE CC[C@H](C)[C@@H](NCc1cc(Cl)cc(OC)c1O)C(N)=O 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41379959 XGXLECUCOVIKRZ-UHFFFAOYSA-N 304.390 2.153 10 10 DECE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 43301334 DKKOIWOAOXJIBP-ZBFHGGJFSA-N 310.463 2.228 10 10 DECE Oc1c(Br)cccc1CNC[C@H](O)C(F)(F)F 227439397 YLTQKQUNKJDBON-QMMMGPOBSA-N 314.101 2.168 10 10 DECE CCc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)c1Br 234203913 KJWISUOVGUFDNL-UHFFFAOYSA-N 311.135 2.173 10 10 DECE COC[C@@](C)(CCO)NCc1cc(Br)ccc1O 175852949 NGPNJQDQKXXOJE-CYBMUJFWSA-N 318.211 2.032 10 10 DECE CCN1CCC[C@H]1CNCc1ccc(N2CCOCC2)cc1 236842245 WXZKOOZMKIJAJI-SFHVURJKSA-N 303.450 2.097 10 10 DECE CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 812484309 DGZZKBUAPDDDEG-VUDGCMKMSA-N 320.345 2.396 10 10 DECE CC[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 817415655 WGZSKANWOBWTTM-NEPJUHHUSA-N 310.350 2.356 10 10 DECE O=C(Cc1cncnc1)NCc1cc(Cl)cc(Cl)c1O 811528805 IPWNWMPPWMSODF-UHFFFAOYSA-N 312.156 2.348 10 10 DECE CO[C@@H](C)[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588557173 DVCDUGINWMQYAH-MYEIUBSTSA-N 318.417 2.076 10 10 DECE CCOCCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835025614 LLODVQUOGJEODB-AATRIKPKSA-N 317.477 2.420 10 10 DECE CNCc1ccccc1CNCc1cc(OC)c(OC)cc1O 844905360 XWMFKMZIPWCCGI-UHFFFAOYSA-N 316.401 2.419 10 10 DECE COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H](C)O2)c(O)c1 852579078 DQLHDEBACSJVMA-BXUZGUMPSA-N 308.378 2.158 10 10 DECE CC[C@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(F)cc1O 927147174 QXVIYDPFIOKGOF-AAEUAGOBSA-N 304.369 2.258 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ccsn3)C2)cc1 855227589 YIYSAXGBHAWICB-LLVKDONJSA-N 303.387 2.160 10 10 DECE O=C(NCc1c(O)cccc1F)c1cc(CN2CCCC2)on1 928706327 QOIZCFLLOIKPII-UHFFFAOYSA-N 319.336 2.045 10 10 DECE COc1cccc(O)c1[C@@H]1[C@@H](N)CCN1C(=O)OC(C)(C)C 1952304316 JYLOBHBVYFMXLF-HZMBPMFUSA-N 308.378 2.410 10 10 DECE COC(=O)/C=C\c1ccc(N2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 751967978 MHQKCJBCZMBOAP-TXNVCOODSA-N 306.318 2.006 10 10 DECE O=C(O)[C@@H]1CCN[C@H]1c1cc(Br)cc(F)c1O 1952850747 FMXMGVHZDNMQDC-HZGVNTEJSA-N 304.115 2.029 10 10 DECE Cc1ccc(O)c(CNC(=O)N[C@H]2CCCn3nccc32)c1 869218406 HIUCXPMCPJNUSO-ZDUSSCGKSA-N 300.362 2.231 10 10 DECE C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1O 868167512 OGYLCHKYBXUBNU-NSHDSACASA-N 312.373 2.316 10 10 DECE CCN(CC)c1ccc(CN[C@@H](C)c2nnc(O)n2C)cc1F 895179329 GWLLJGRZQALIGP-NSHDSACASA-N 321.400 2.357 10 10 DECE C[C@H](C(=O)NCc1ccccc1O)N1Cc2ccccc2C1=O 1137471684 WJGANONSZWYOLT-GFCCVEGCSA-N 310.353 2.053 10 10 DECE C[C@H](COCc1ccccc1)NC(=O)c1ccc(O)c(O)c1 390786644 QKHBDJGFHNQEQQ-GFCCVEGCSA-N 301.342 2.433 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccnc(OC(F)F)c1 1153884340 CFORYOZBUFTNIY-UHFFFAOYSA-N 310.256 2.024 10 10 DECE C[C@@H]1C[C@H]1N1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O 1329711199 VFLONOVTBNUNSX-IXPVHAAZSA-N 323.387 2.130 10 10 DECE Cn1nncc1CCNCc1cc(Cl)cc(Cl)c1O 2123277910 UMXZXMGRIFHCSY-UHFFFAOYSA-N 301.177 2.160 10 10 DECE CN(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F 1339835049 IXFVNHDVAGMGMO-ZIAGYGMSSA-N 309.385 2.203 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncc(Cl)cn1 1354371525 NWVGSKJUGSHCSD-UHFFFAOYSA-N 318.764 2.235 10 10 DECE CCNCc1ccc(N(CCOC)CCOC)c(OCC)c1 211856710 AHISGDYIEAEULN-UHFFFAOYSA-N 310.438 2.294 10 10 DECE CC1(C)CN(c2ccc(CN)c(Br)c2)C[C@H]1CO 1914004716 XCHWSMPHUNQOIL-NSHDSACASA-N 313.239 2.363 10 10 DECE Cc1cc(N(C)C[C@H](O)COCc2ccccc2)ccc1CN 1916364503 MQMPHNDGCMSNTC-IBGZPJMESA-N 314.429 2.468 10 10 DECE CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)no1 1628346631 HMQBAEOZXZNUME-NSHDSACASA-N 317.345 2.411 10 10 DECE O=C(CSCc1ccncc1)NCc1ccc(O)cc1O 1626838391 ZZLJFPJQGAWWTG-UHFFFAOYSA-N 304.371 2.042 10 10 DECE COCCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1484621392 YHTOIOGYDCBMKY-UHFFFAOYSA-N 320.433 2.169 10 10 DECE CCn1nc(C(=O)NCc2cc(O)ccc2O)cc1C1CC1 1633598829 CTJPVODGJNNQSI-UHFFFAOYSA-N 301.346 2.122 10 10 DECE O=C(NCc1c(O)cccc1F)c1n[nH]cc1C(F)(F)F 1638863148 JJUYDMSJDSHRAF-UHFFFAOYSA-N 303.215 2.203 10 10 DECE CCC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 1644510550 DQJSLVJSUPLMQS-UHFFFAOYSA-N 322.380 2.225 10 10 DECE Cc1cccc(CNCCOCCNC(=O)OC(C)(C)C)c1O 1939422852 ZHIUZMFMBXYWJX-UHFFFAOYSA-N 324.421 2.332 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944252361 XEHUBKRGDPKSNS-UPZJHPNMSA-N 304.159 2.021 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2145047149 DPWJWPJLGHUWKM-IMSIIYSGSA-N 315.822 2.017 10 10 DECE CC[C@H](N)Cc1cnc(Sc2nnc(O)n2C(C)C)s1 2155360149 GJEFXAGWWJUFNJ-QMMMGPOBSA-N 313.452 2.452 10 10 DECE CN1CC[C@@]2(CCN(c3ccc(CN)c(Br)c3)C2)C1 311592225 ASDJXJNGKMNKLU-OAHLLOKOSA-N 324.266 2.440 10 10 DECE CC(C)[C@H]1C[C@H](CC(=O)NCc2c(O)cc(O)cc2O)CCO1 2063289638 NPZOLEBEESLMCH-BDJLRTHQSA-N 323.389 2.261 10 10 DECE CCNC(=O)c1cc(C2CC2)nn1Cc1cccc(F)c1O 2070176765 NOMDEMDGYFZGJV-UHFFFAOYSA-N 303.337 2.403 10 10 DECE C[C@H](CCNS(=O)(=O)Cc1ccc(N)cc1)P(C)(C)=O 2192492719 DJPIKJSACJGJQU-LLVKDONJSA-N 318.379 2.090 10 10 DECE O=C1Nc2cc(N3C[C@@H](F)C[C@@H](F)C3)c(Cl)cc2[C@H]1O 2182598944 LIMIEAGNYXLBSJ-KEHGIVTQSA-N 302.708 2.212 10 10 DECE Cc1noc(CN(C)c2ccc(CN)cc2Br)n1 2042267696 WLCMFRZDAICBBC-UHFFFAOYSA-N 311.183 2.236 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H](C3)[C@H]2CO)cc1Br 2058374101 OJSONMAVIUIXJY-NURSFMCSSA-N 311.223 2.257 10 10 DECE CN[C@@H]1CN(Cc2ccc(Br)cc2O)CC12CC2 2085078051 JOBKKKZKVQBGDR-CYBMUJFWSA-N 311.223 2.339 10 10 DECE CCCSC[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2088463855 IHQHNMNQJAKTSA-NSHDSACASA-N 302.465 2.220 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1C[C@H]2CC[C@@H]2C1 2092885955 ATJYFYSLAVJCLH-RKDXNWHRSA-N 302.783 2.044 10 10 DECE CN(CCCCN1C(=O)c2ccccc2C1=O)CCN=[N+]=[N-] 2209045826 PAAWXDHIARXJFH-UHFFFAOYSA-N 301.350 2.305 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2219160809 WHLMGGDSCBCZAV-KKZNHRDASA-N 317.202 2.378 10 10 DECE CN(CCc1cnn(C)c1)c1ccc(CO)cc1Br 2225733716 WDLZNZDSHANLSM-UHFFFAOYSA-N 324.222 2.354 10 10 DECE O=[N+]([O-])c1cc(NS(=O)(=O)CC2CCCC2)ccc1O 2236168006 MGBHNIWPWDWDPV-UHFFFAOYSA-N 300.336 2.232 10 10 DECE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(Cl)c1 2279334521 OHJSWTFDGWSIKW-GXFFZTMASA-N 316.854 2.201 10 10 DECE CSc1ncc(CNC(=O)[C@@H](N)c2ccc(C)cc2)s1 2284498545 JTGLNCDYRIFLDT-LBPRGKRZSA-N 307.444 2.490 10 10 DECE CSc1ncc(CNC(=O)N(C)[C@H](C(=O)O)C(C)C)s1 2284506230 CTSUFDCALKMLKG-VIFPVBQESA-N 317.436 2.116 10 10 DECE Oc1c(Br)cccc1CN1CCOC[C@@H](F)C1 2299887360 JSGDOZKYOXSABY-JTQLQIEISA-N 304.159 2.325 10 10 DECE OCc1ccc(N2[C@H]3CC[C@@H]2[C@@H](CO)C3)cc1Br 2308533625 PKCPJFKYCUWUNM-UHIISALHSA-N 312.207 2.291 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)cc1Br 2309944044 HLVIVRIPEUJQOW-VQSQSKOLSA-N 312.207 2.462 10 10 DECE N[C@@H]1C[C@@H]2C[C@H](C1)N(Cc1ccc(Br)cc1O)C2 2310968388 RZQPMMVHMLZACM-OASPWFOLSA-N 311.223 2.466 10 10 DECE Cc1ccc(CN[C@@H](C)C(=O)N(C)C)c(O)c1Br 2327623273 FVIQMPAFZCWQEC-VIFPVBQESA-N 315.211 2.029 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H]2CN2CCCC2)c1 173331697 NVTHGUVJKKCAOP-OAHLLOKOSA-N 305.378 2.361 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2358570697 UGNFQVLRBMIUBC-JLIMGVALSA-N 308.354 2.429 10 10 DECE Nc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 36283807 IYIKRKRESAIXHQ-UHFFFAOYSA-N 311.294 2.117 10 10 DECE O=C(O)/C=C\c1ccc(N2CCOCC2)cc1Br 310606338 ILLGNEHSSCOLPQ-RQOWECAXSA-N 312.163 2.384 10 10 DECE COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C)CC2)cc1F 84880223 GKPUPPGQPWKEDA-BXUZGUMPSA-N 307.369 2.074 10 10 DECE COCCn1c(C)c(C)c2cc(C(=O)NC3COC3)ccc21 634256343 PWPUANIZJSLAGG-UHFFFAOYSA-N 302.374 2.033 10 10 DECE O=C(COC(F)F)NCc1cc(Br)ccc1O 804734401 JGPMRTHYAOPVAU-UHFFFAOYSA-N 310.094 2.010 10 10 DECE C[C@H](NC(=O)N1C[C@@H](O)CC[C@@H]1C)c1ccc(N(C)C)cc1 817166133 SJBYDJNBVBVPCE-XEZPLFJOSA-N 305.422 2.368 10 10 DECE O=S1(=O)CCN(Cc2cc(Cl)ccc2O)[C@@H]2CCC[C@@H]21 825202811 VMSKAVSOCXMZTK-OCCSQVGLSA-N 315.822 2.197 10 10 DECE Oc1cc2c(cc1CN1CCC(C3OCCO3)CC1)CCC2 738138679 PVLFXZKQVFDAAG-UHFFFAOYSA-N 303.402 2.466 10 10 DECE CC[C@@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 908444143 SRUWXCUEXLPASD-LLVKDONJSA-N 320.414 2.479 10 10 DECE CN(C)c1ccc(/C=C\CN2CCO[C@@H](C(=O)C3CC3)C2)cc1 835049575 KPQNCDBCMDDEPY-DDKKJVIOSA-N 314.429 2.446 10 10 DECE CN(C)CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 900688760 DMFYFGHJKGFKKW-UHFFFAOYSA-N 308.403 2.384 10 10 DECE CN(C)c1ccc(CNC(=O)/C=C\c2cnccn2)cc1F 746805377 XWMMZHMMCUXKEW-XQRVVYSFSA-N 300.337 2.011 10 10 DECE C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 865920949 AYQLPGXWGOKANJ-KOLCDFICSA-N 318.352 2.328 10 10 DECE Cc1cc(CN2C(=O)N[C@H](CF)C2=O)c(C)n1-c1ccccc1 863532492 NXLQWBVCOBCKDE-OAHLLOKOSA-N 315.348 2.484 10 10 DECE C[C@H](NC(=O)N[C@H](C)Cc1cnn(C)c1)c1ccccc1O 868679006 PPYRZPDSWZNKEK-NEPJUHHUSA-N 302.378 2.117 10 10 DECE CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 864633160 ANDOIOKMDWMQEL-DOTOQJQBSA-N 320.433 2.153 10 10 DECE CCc1cccc(CN[C@H](CC2CCOCC2)C(=O)OC)c1O 895593341 PYURXMNZIXZPAA-MRXNPFEDSA-N 321.417 2.403 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)C2=C[S@](=O)CCC2)c1 1137473566 NWOYPHJRHAEERB-LADRHHBVSA-N 309.387 2.004 10 10 DECE COc1cc(OC)c(NC(=O)Cc2ccc(O)c(O)c2)cc1F 1137321551 DDBAHNPNRYPLJA-UHFFFAOYSA-N 321.304 2.435 10 10 DECE Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(N)=O)c1 1143061374 GQGGHVMIYKLRGA-QPJJXVBHSA-N 312.325 2.157 10 10 DECE CCOCc1nc(C)c(C(=O)NCc2cc(O)ccc2O)s1 1153884372 CYVXBBKHTGXSRZ-UHFFFAOYSA-N 322.386 2.329 10 10 DECE Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)ccc1O 1300396129 KJRASGXQVUVNER-UHFFFAOYSA-N 321.720 2.466 10 10 DECE C[C@@](O)(c1ncccc1Br)[C@@H](N)c1ccccc1O 2120065768 QCOUBCLMFGPGLL-JSGCOSHPSA-N 323.190 2.457 10 10 DECE COCc1nsc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1457717180 QIYLTBFHSAXFNV-UHFFFAOYSA-N 320.334 2.099 10 10 DECE Cc1ccc(O)c(CN(Cc2ccccc2)CC2(O)CNC2)c1 1915473784 HBBICEFLBRQMQZ-UHFFFAOYSA-N 312.413 2.037 10 10 DECE C[C@H](CCO)N(C)c1cc(Br)c(CN)cc1F 1917029013 ZDLXQZYLTACHCQ-MRVPVSSYSA-N 305.191 2.254 10 10 DECE O=C1CN(C(=O)/C=C\c2cccnc2)c2cc(F)c(F)cc2N1 1538298442 WTHDDQGYNZIWJC-ARJAWSKDSA-N 315.279 2.358 10 10 DECE COc1ccc(CNCCCN(C)C(=O)c2cocn2)cc1C 1483456843 IETMAZOURUFQFO-UHFFFAOYSA-N 317.389 2.244 10 10 DECE CCN1C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CC1=O 1645441002 QVBZVWACTXMMCM-CYBMUJFWSA-N 312.369 2.030 10 10 DECE CN1CCN(c2ccc(/N=N/N3CCC(=O)CC3)cc2)CC1 1860485971 IDTVDXBOEFDDHU-ISLYRVAYSA-N 301.394 2.102 10 10 DECE CCOC(=O)N1CCC(N=NNc2ccc(C(N)=O)cc2)CC1 1860489094 XLOOCESQPXFAIO-UHFFFAOYSA-N 319.365 2.186 10 10 DECE N[C@]1(C(=O)O)CCN(c2ccc(OCc3ccccc3)cc2)C1 1899862058 TXBSYZRAJTVVHN-GOSISDBHSA-N 312.369 2.258 10 10 DECE Cc1cccc(CNCc2ccsc2S(C)(=O)=O)c1O 1964608457 YPWLASPDAPPOPI-UHFFFAOYSA-N 311.428 2.455 10 10 DECE O=C(O)C[C@H]1CCN1Cc1ccc(Br)cc1O 2001244314 ZKZKBWHRYKHDKP-SNVBAGLBSA-N 300.152 2.204 10 10 DECE Nc1ccc(OC[C@@H](O)COCCOCc2ccccc2)cc1 1983388300 FIADZPLIPWIKAU-KRWDZBQOSA-N 317.385 2.242 10 10 DECE OCC(F)(F)CCNCc1ccc(Br)cc1O 2012616146 RZBCMCFUTDALIF-UHFFFAOYSA-N 310.138 2.262 10 10 DECE OCC(F)(F)CCNCc1cc(Br)ccc1O 2012619232 ZXCNEIDIUZDDFR-UHFFFAOYSA-N 310.138 2.262 10 10 DECE N[C@H]1CCN(Cc2cc(Br)ccc2O)CC1(F)F 2034173592 YUJGFMIOPIXJDC-NSHDSACASA-N 321.165 2.323 10 10 DECE CNCc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 312813008 LUOMHBYBXZOJCW-LBPRGKRZSA-N 316.854 2.073 10 10 DECE CC(C)N(CCS(C)(=O)=O)c1ccc([C@@H](C)O)cc1F 2170175003 BFRVVXLNXIKKSE-LLVKDONJSA-N 303.399 2.138 10 10 DECE CNCCCN(C)Cc1cc(Br)cc(F)c1O 715766534 UQEXYPGCKQSCRY-UHFFFAOYSA-N 305.191 2.335 10 10 DECE CC(C)S(=O)(=O)CCN(C)[C@@H](C)c1ccc(F)cc1O 2170533664 RWQWLFCDDLFGLB-NSHDSACASA-N 303.399 2.347 10 10 DECE COC(=O)c1cn(Cc2cccc(C(F)(F)F)c2O)nc1O 2070609231 MNWOZSLJYSGQTQ-UHFFFAOYSA-N 316.235 2.148 10 10 DECE Cc1ccc([C@@H](C(C)C)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079112248 QPUOKHMCZOVRQV-CQSZACIVSA-N 302.378 2.132 10 10 DECE NCc1cc(F)c(N2C[C@H]3C[C@H]2C[C@@H]3O)cc1Br 2052046471 MQTBWCYJMVBSOE-ZDMBXUJBSA-N 315.186 2.006 10 10 DECE Cn1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)nc1Br 2054031497 OXAPAVHMMYSGOS-UHFFFAOYSA-N 313.159 2.003 10 10 DECE CN1CCc2cc([C@@H](N)c3cn(C)nc3Br)ccc21 2106851582 VUWCJPBAYPSUOI-CYBMUJFWSA-N 321.222 2.223 10 10 DECE CC12CC(CN1c1cc3c(cc1Br)[C@@H](O)C(=O)N3)C2 2090763420 NQHVULORMPTMAY-BWQPLIALSA-N 323.190 2.423 10 10 DECE Cn1nc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cc1Br 2218735773 ROIYGJOUIIXVPK-RQJHMYQMSA-N 313.159 2.144 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H](O)[C@H]2CC3)c(Br)c1 2222300753 IRRPKJHJJFSZPB-LERXQTSPSA-N 311.223 2.400 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2224349857 RIASZLGXRPDZRY-NTZNESFSSA-N 306.189 2.063 10 10 DECE COc1ccc(N2C[C@@H](C)CC[C@@H]2C2OCCO2)c(C(=O)O)c1 2235958625 UBXXVAGGRAEBQF-XHDPSFHLSA-N 321.373 2.371 10 10 DECE CSc1ncc(CNC(=O)C[C@H](CN)CC(C)C)s1 2269094208 QVKXQUSUJVGQJQ-SNVBAGLBSA-N 301.481 2.492 10 10 DECE CC[C@H](CCC(=O)O)NC(=O)NCc1cnc(SC)s1 2284543550 HESPCRZXTCNUPB-MRVPVSSYSA-N 317.436 2.308 10 10 DECE COc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)c(OC)c1 492478551 XUYXZNAFENHCFR-DAXSKMNVSA-N 314.341 2.481 10 10 DECE Cc1cnc(CCNC(=O)C=Cc2ccc(O)c(O)c2)s1 2308001227 MICNXGCPJOVSRR-UHFFFAOYSA-N 304.371 2.235 10 10 DECE Cc1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1F 1865769381 YWCOKSZCDMBLGJ-UHFFFAOYSA-N 312.391 2.323 10 10 DECE Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 4731234 RLKKSOCKDSDBCS-UHFFFAOYSA-N 316.265 2.296 10 10 DECE biogenic Cc1cc(N(C)C)ccc1CNc1nn2c(=O)ccnc2s1 115521879 BQZVBABXROYIQU-UHFFFAOYSA-N 315.402 2.138 10 10 DECE CCN[C@@H](C)c1ccc(N2CCN(CCO)CC2)c(Cl)c1 61695692 DJIGLZGTOQHJJK-ZDUSSCGKSA-N 311.857 2.125 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC(=O)N1 194324062 KAQNOHZDFLBTOJ-AWEZNQCLSA-N 304.390 2.190 10 10 DECE CC(C)(C)OC(=O)NC[C@H](NCc1cccc(O)c1O)C1CC1 226758048 RWKAWFKJLOXWBP-ZDUSSCGKSA-N 322.405 2.491 10 10 DECE C[C@@H]1COCCN1c1ccc(CN)c(Br)c1F 231838990 AZIMZWUWBWOJOL-MRVPVSSYSA-N 303.175 2.272 10 10 DECE Cc1[nH]nc(C(=O)NCc2cc(Br)ccc2O)c1C 804736179 MFARYZIKKHYBRS-UHFFFAOYSA-N 324.178 2.425 10 10 DECE C[C@@H]1Oc2cc(C=O)ccc2N(OCc2ccc(N)cc2)C1=O 821297962 SYEWOTBMRPXYBN-NSHDSACASA-N 312.325 2.327 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCO[C@](C)(C3CC3)C2)c1O 826877177 BWALUXKIJMFNLY-INIZCTEOSA-N 322.361 2.310 10 10 DECE CCCN1CCC(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588408127 PZHSECVJAIWXKU-ALCCZGGFSA-N 318.417 2.444 10 10 DECE COc1cccc(CNC(=O)NC[C@H]2CCOC2(C)C)c1O 823750197 KTMJNJWUGXHPND-GFCCVEGCSA-N 308.378 2.015 10 10 DECE COc1ccc(CNC(=O)C(C)(C)c2nccs2)c(O)c1 907926317 MBENNWODYRNVAS-UHFFFAOYSA-N 306.387 2.451 10 10 DECE CC(=O)c1cc(F)cc(CN(C[C@H]2CCC(=O)N2)C(C)C)c1O 839670335 TZTMEKZUWQHQNC-CQSZACIVSA-N 322.380 2.223 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)CC(F)(F)CN)cc1 846673953 YMLXFVBHVSDSBD-UHFFFAOYSA-N 313.392 2.475 10 10 DECE COC(=O)[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 846060544 PBZCCMSOYJOCQI-HZMBPMFUSA-N 313.781 2.116 10 10 DECE Cc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)c(Cl)c1 840915680 LAVIVVDLASNONN-UHFFFAOYSA-N 312.841 2.243 10 10 DECE COc1ccc(CN[C@@H](C[C@H](OC)C2CC2)C(=O)O)cc1C 846777792 CLRSTEVVOPZNPS-HOCLYGCPSA-N 307.390 2.362 10 10 DECE C[C@H](NCc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 922121973 JPIJWDPDHGTSDW-LBPRGKRZSA-N 309.431 2.067 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CC[C@]2(CCCCN2)C1 923531861 WQXJKWZXZYZGTN-LJQANCHMSA-N 315.461 2.241 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 926935749 GWAGEUWSLJKSFU-BEAPCOKYSA-N 317.385 2.421 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@]2(C)CC2(F)F)c1 853736523 FBSRDKVVUIODFA-ZDUSSCGKSA-N 300.305 2.245 10 10 DECE CC1(C)OCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1 850408297 GXCLBXBZCQTDSF-MRXNPFEDSA-N 304.434 2.428 10 10 DECE CN(CCCCO)C(=O)NCCCSc1nccs1 788317359 XKKLSCBZIFFZIW-UHFFFAOYSA-N 303.453 2.039 10 10 DECE O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(O)cs1 784791310 XFEDZDMWOKJMIP-UHFFFAOYSA-N 314.370 2.211 10 10 DECE CN1CCN(c2ccc(CN3CCCSCC3)cc2)CC1 780893936 VLQMDBMRISEBQU-UHFFFAOYSA-N 305.491 2.377 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc2nc[nH]c2c1F 1137443512 SLVWJLQAAUPCPC-UHFFFAOYSA-N 301.277 2.043 10 10 DECE CCC/C=C/[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1137386387 CCDMYHMYERHRDS-RTRPANQVSA-N 318.417 2.061 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@H]2CCO)cc1 1155077712 LEXYFCIRALSTSI-GWCFXTLKSA-N 304.350 2.130 10 10 DECE COCCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1153792568 STFNRKMFBJBQPX-UHFFFAOYSA-N 317.341 2.053 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCOCC2)C1 1303971247 PSZFQONLWHTCDF-OAHLLOKOSA-N 319.401 2.306 10 10 DECE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(CCCN=[N+]=[N-])C1 1962305751 VXZWRKLTAVVORP-AWEZNQCLSA-N 313.402 2.038 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C 1317238431 ITNIJFUNSMBIQT-DGCLKSJQSA-N 312.360 2.253 10 10 DECE C[C@@H](O)CN(c1ccc(CO)c(Br)c1)C1CC1 691471925 QDQRBUYRVOFGFY-SECBINFHSA-N 300.196 2.291 10 10 DECE CC(C)(C)CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1442072699 UJIVSYLXDCWWTM-UHFFFAOYSA-N 320.433 2.221 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)cc1 1464233979 KMJUZKAMCLOEAV-ZIAGYGMSSA-N 315.377 2.206 10 10 DECE CO[C@@H]1COC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1616092329 OKHRZEUFCZRFTK-RTBURBONSA-N 316.445 2.148 10 10 DECE C[C@@H](COc1ccccc1F)NC(=O)Cc1ccc(O)c(O)c1 1543703679 IWJPTWZFPQKXJK-NSHDSACASA-N 319.332 2.363 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CCOC2)cc1C 1480751366 CREKQYGLTTUZJZ-HOCLYGCPSA-N 320.433 2.025 10 10 DECE C[C@]1(CNC(=O)c2cccc(O)c2O)COc2ccccc2O1 1557650108 FHLIDIFSMXULMY-KRWDZBQOSA-N 315.325 2.058 10 10 DECE C[C@@](O)(CC(=O)NCc1cc(O)ccc1O)c1ccccc1 1558175448 QMJHDUYIYVFFPQ-QGZVFWFLSA-N 301.342 2.012 10 10 DECE CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CC1 1760896370 FZPRBNUQTFSLLL-UHFFFAOYSA-N 316.405 2.268 10 10 DECE CC(C)C(=O)NC1CCN(CCCOc2ccc(N)cc2)CC1 586044586 HIFZPIADIOQUEP-UHFFFAOYSA-N 319.449 2.274 10 10 DECE N[C@H]1CC(CN2CCCc3c(Br)cccc32)=C[C@@H]1O 2131472760 DCWIHXAEUKFMOE-ZFWWWQNUSA-N 323.234 2.220 10 10 DECE Cc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1C 1857878963 QBOBBGPMFQTZHI-UHFFFAOYSA-N 308.345 2.114 10 10 DECE Oc1ccc(Br)cc1CNCCN1C[C@H]2C[C@H]2C1 1967785814 ZYQRRQXTJHLGMO-TXEJJXNPSA-N 311.223 2.196 10 10 DECE CN(C)CCN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C 1992518787 IBUKNGAYSAJWEU-UHFFFAOYSA-N 323.437 2.446 10 10 DECE NCc1ccc(N2CC3(CCO3)C2)c(F)c1Br 2004426190 GZTPXDHOJONTTL-UHFFFAOYSA-N 301.159 2.026 10 10 DECE COc1cc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)sn1 2155556211 PWGTVGLPUVEDQV-QMMMGPOBSA-N 317.396 2.005 10 10 DECE NCc1ccc(N2CCC[C@H]2CCO)c(F)c1Br 310711288 CLWCQXAKAQKAQL-JTQLQIEISA-N 317.202 2.398 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@@]1(C)CO 694702108 JAUSRHXGRNKEBB-HZMBPMFUSA-N 313.239 2.363 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 830141485 VHEXAZXVQJUTST-ZDUSSCGKSA-N 320.389 2.360 10 10 DECE Cc1onc(Br)c1C(=O)NCc1ccccc1O 2045079480 HNMNVLZXUFSWGL-UHFFFAOYSA-N 311.135 2.381 10 10 DECE O=C(O)[C@@H](F)C1CN(Cc2cc(Br)ccc2O)C1 2048006664 WQUGXTLGXQXDDE-NSHDSACASA-N 318.142 2.009 10 10 DECE Oc1cccc(Br)c1CNC1CN(C2CCC2)C1 2050145652 DUAUAHVNXXFPBC-UHFFFAOYSA-N 311.223 2.481 10 10 DECE CNCc1ccc(N2CC=CC[C@@H]2CO)c(Br)c1 2056283758 XJYOGYJDYWCXMH-GFCCVEGCSA-N 311.223 2.296 10 10 DECE CCCN(C)C1CN(c2ccc(CO)c(Br)c2)C1 2072418576 HMPZWBVXUFMISB-UHFFFAOYSA-N 313.239 2.472 10 10 DECE C[C@@H]([C@@H](C)N(C)c1ccc(CO)cc1Cl)S(C)(=O)=O 2114229427 WOCZFYULHGZYPF-ZJUUUORDSA-N 305.827 2.090 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCn2cnnc2C1 2236546380 CPAZJHISNMFMEC-JTQLQIEISA-N 313.188 2.395 10 10 DECE Cc1cc(Br)cnc1[C@H](NN)c1ccccc1O 2257459838 YVXUSUNTQPZINK-CYBMUJFWSA-N 308.179 2.411 10 10 DECE O=C(O)CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 2288035363 ONMOOAAZJRAJBM-JTQLQIEISA-N 320.172 2.375 10 10 DECE Oc1ccc(Br)cc1CN1CCOC[C@H](F)C1 2299887113 HCLUYWUQHVXYEX-LLVKDONJSA-N 304.159 2.325 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccccc2F)c1 491686496 RJNUQXIKIOPRCO-FPLPWBNLSA-N 313.332 2.257 10 10 DECE COC[C@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2327594539 AEULFNPLHAAZPJ-VIFPVBQESA-N 316.195 2.362 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1895876490 VQKDILDBSZWLEH-TUAOUCFPSA-N 323.397 2.449 10 10 DECE CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@]21O 33831720 WCLDCQVGZXKRKT-IBGZPJMESA-N 319.364 2.419 10 10 DECE CCO[C@@H]1C[C@@](O)(CNCc2ccc(OC)cc2O)C1(C)C 188930321 VDRLOWFWHRVFLH-NVXWUHKLSA-N 309.406 2.057 10 10 DECE Nc1ccc(CC(=O)Nc2cnc(Br)cn2)cc1 88446103 JZVKZTSILWHXTC-UHFFFAOYSA-N 307.151 2.003 10 10 DECE CC(C)(C)OC(=O)N1CCN(c2ccc(CN)c(F)c2)CC1 228762736 CMAGURGXRDMNOQ-UHFFFAOYSA-N 309.385 2.342 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCN(c3nccs3)CC2)c1 89773129 NFAVXUUEZHUKOU-UHFFFAOYSA-N 320.374 2.079 10 10 DECE Cc1nc(Br)ccc1NC(=O)c1cc(O)nc(O)c1 235802388 YFGKDNAONATXEA-UHFFFAOYSA-N 324.134 2.211 10 10 DECE COC(=O)CCCCC(=O)N1CCOc2cc(N(C)C)ccc21 430256242 XVQVEBVKOGBQCY-UHFFFAOYSA-N 320.389 2.211 10 10 DECE Cc1ccc(O)c(CN2CCC(CO[C@H]3CCNC3)CC2)c1 530249015 SNHNCEXKWHAGKJ-KRWDZBQOSA-N 304.434 2.291 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 298106821 AUMZZDAXELWWQV-LSDHHAIUSA-N 305.422 2.103 10 10 DECE CCCN(CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1O 295363336 NXWVULDSENEQNJ-UHFFFAOYSA-N 302.777 2.485 10 10 DECE C[C@@H](NC1COCCOC1)c1ccc(Br)cc1O 813879547 NCYLXZLFVCLLTF-SECBINFHSA-N 316.195 2.221 10 10 DECE CN(C)c1ccc(/C=C/CNCC2(N(C)C)CCOCC2)cc1 835041740 ZYFMXBDGLRJTPF-AATRIKPKSA-N 317.477 2.466 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H](O)COCC2CC2)cc1 835035426 CQEGFTNFJTUCNA-OAJJDEHYSA-N 304.434 2.143 10 10 DECE COc1cc(Br)cc([C@@H](C)NCCCO)c1O 848514007 KIANBPVLLDDSQR-MRVPVSSYSA-N 304.184 2.196 10 10 DECE NC[C@H]1c2ccccc2CCN1Cc1cc2c(cc1O)OCO2 843130133 YGSCVXXMALTETF-HNNXBMFYSA-N 312.369 2.179 10 10 DECE CC1CCN(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 842786278 VGQKBMMGLDBGMK-INIZCTEOSA-N 304.438 2.194 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCCN3)C1)OCO2 843045498 SMSOCVMLLIJXJY-JSGCOSHPSA-N 304.390 2.085 10 10 DECE Nc1ccc(CCNC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 841957729 LMOZZNRABVMHGI-GOSISDBHSA-N 317.433 2.414 10 10 DECE COc1cnccc1[C@H](C)NC(=O)NCCc1ccc(N)cc1 841884066 JBGJHTPIEMGJJT-LBPRGKRZSA-N 314.389 2.275 10 10 DECE CNC(=O)c1cccc(CCC(=O)NCc2ccccc2O)c1 752130751 UVFKMPQAXRDWPW-UHFFFAOYSA-N 312.369 2.001 10 10 DECE CC[C@@H](COCC1CC1)NC(=O)NCc1ccc(OC)cc1O 852461555 AVHWJBXVZSDALR-AWEZNQCLSA-N 322.405 2.405 10 10 DECE Cc1ccc([C@@H](C)NC[C@H]2CC3(CCNCC3)C(=O)O2)c(O)c1 925855598 KYNGIUOJPIWINR-ZIAGYGMSSA-N 318.417 2.037 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccnc(C)n1 935945670 GJHNQKWZKRYHFT-UHFFFAOYSA-N 320.389 2.225 10 10 DECE COC(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CC2(CCC2)C1 871206795 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C[C@@H](CCN(C)C)C(=O)NCCCSc1nccs1 1628326099 QGMNUSRJYSVHNU-NSHDSACASA-N 301.481 2.329 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](F)C[C@H]1C(F)(F)F 1648108209 UEHHGIWBSUEKKN-KWQFWETISA-N 307.243 2.142 10 10 DECE C[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1O 1648892181 PMVWEIITTCHIPQ-LBPRGKRZSA-N 312.369 2.301 10 10 DECE Cc1ccc(O)c(CNC(=O)Cc2nnc(O)c3ccccc23)c1 1641759323 VQLKENNBPOTTDU-UHFFFAOYSA-N 323.352 2.208 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)ccc1C(=O)N(C)C 1586520605 DUSOPSCNKBDFBM-UHFFFAOYSA-N 314.341 2.360 10 10 DECE CCC(=O)N[C@@H]1CCCN(CCCOc2ccc(N)cc2)C1 586051584 BLXWRQQCMLTUES-OAHLLOKOSA-N 305.422 2.028 10 10 DECE N[C@H]1CC(CN2CCCc3ccc(Br)cc32)=C[C@H]1O 2131479810 ZECXGVTULYNFNN-DZGCQCFKSA-N 323.234 2.220 10 10 DECE O=C(Nc1ccc(-n2ccc(O)n2)cc1)c1cccc(O)c1O 1148220036 MPBOTJVPZUGAOV-UHFFFAOYSA-N 311.297 2.241 10 10 DECE C[C@H](NC(=O)C(Cl)=C(Cl)C(=O)O)c1ccccc1O 2139058688 JTWAVDXOVQVYEC-LURJTMIESA-N 304.129 2.343 10 10 DECE C[C@@H]1CS(=O)(=O)CCN1[C@H](C)c1ccc(Cl)cc1O 2138558468 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322.206 2.279 10 10 DECE CSc1nc(Cl)cc(=NCCc2ccc(O)c(O)c2)[nH]1 2148014455 BLYXOLVCFSLGMX-UHFFFAOYSA-N 311.794 2.340 10 10 DECE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC(N=[N+]=[N-])C2)[C@H]2CC[C@@H]1C2 1985101587 UYPSCLNABNOVMK-WCQGTBRESA-N 321.381 2.296 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC(OCc4ccccc4)C3)ccc21 1998347582 UREDELXDERPURM-SFHVURJKSA-N 323.396 2.305 10 10 DECE C[C@H](O)c1ccc(N2CC3(CN(C)C3)C2)c(Br)c1 2034804850 MMWJHEWDRRRGSG-JTQLQIEISA-N 311.223 2.254 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)[C@H](C)CN1 715764808 BHOSIVMXKNEWRQ-DTWKUNHWSA-N 317.202 2.476 10 10 DECE CN[C@@H](C)c1cc(F)c(N2CCS[C@@H](CO)C2)c(F)c1 2194696961 JESYMJUYXFBXHX-GXSJLCMTSA-N 302.390 2.159 10 10 DECE CNCc1ccc(N2CCO[C@@H](CF)C2)cc1Br 2052005321 HVJRXXGLJJFVKP-LBPRGKRZSA-N 317.202 2.343 10 10 DECE OC[C@H](F)[C@H]1C[C@@H](NCc2cccc(Br)c2O)C1 2078425505 QMPXNXWERTUQAT-UMNHJUIQSA-N 318.186 2.353 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 2234177795 VWGDQXQZMMAXQM-GHMZBOCLSA-N 302.306 2.475 10 10 DECE CN(CCc1cnn(C)c1)c1ccc(CN)c(Br)c1 2225729081 VSWQQIHBMLQBMQ-UHFFFAOYSA-N 323.238 2.320 10 10 DECE Nc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1O 2236141079 HJTNOTYXOITVSU-UHFFFAOYSA-N 300.286 2.053 10 10 DECE NCc1cc(F)c(N2CC[C@]3(O)C[C@H]3C2)cc1Br 2254025904 USSJFRGNRFVTME-ZANVPECISA-N 315.186 2.008 10 10 DECE COC[C@H]1C[C@@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 2289514641 DRNCPTFEXCBROB-CABZTGNLSA-N 319.232 2.495 10 10 DECE CCC(=O)NN1C(=O)C(=Cc2cccc(F)c2)SC1=S 2314717099 MDOKGYBECBHRDO-UHFFFAOYSA-N 310.375 2.468 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)c1 178040494 BQTMFJYPCKZIOA-OAHLLOKOSA-N 315.329 2.349 10 10 DECE COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)c(C)c(O)c1C2=O 4098707 LYCLASMOMOWSCE-UHFFFAOYSA-N 314.293 2.204 10 10 DECE biogenic,in-vitro Cc1cc(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)cc1N 254815042 ZSQXGXYCVBCCJA-UHFFFAOYSA-N 305.363 2.222 10 10 DECE CCOC(=O)[C@@H](N)c1ccc(Br)c(Cl)c1O 260907890 SEVBLNKXPKNUEU-QMMMGPOBSA-N 308.559 2.371 10 10 DECE CN(C)c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 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10 10 DECE COc1ccc(N2CC[C@H](NC(=O)C3CCC(=O)CC3)C2)cc1 855232645 WETQYIPLNFIXGM-AWEZNQCLSA-N 316.401 2.149 10 10 DECE CC(C)(C)N1CC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 855161621 AKYHAVPMBZYBFI-IYNGYCSASA-N 304.390 2.100 10 10 DECE Cc1ccc(NC(=O)c2cc(O)cs2)cc1S(C)(=O)=O 760821574 VAXKNABQIOWPBC-UHFFFAOYSA-N 311.384 2.418 10 10 DECE CCO[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CC1 862024659 AYGOJPYSBQZXQD-MRXNPFEDSA-N 300.358 2.372 10 10 DECE CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCN1C 866765054 QGAHEFHGGJPZGB-CORIIIEPSA-N 306.406 2.308 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]([C@@H]2CCOC2)C1 779533372 FJXIVSDITJOCPM-UNCXAERMSA-N 317.385 2.386 10 10 DECE CN(C)c1cc(F)c(CN2CCNC(=O)CC2(C)C)cc1F 895400847 XNKPGMNTTPCVMM-UHFFFAOYSA-N 311.376 2.131 10 10 DECE Cc1cc(Br)c(O)c(CN2CC[C@@H](CO)C2)c1 781905597 OCSQPQQQVXZQRE-SNVBAGLBSA-N 300.196 2.277 10 10 DECE CN1C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 897826218 VONHAOMUETVSRF-ONGXEEELSA-N 318.398 2.089 10 10 DECE CC[C@H](NC(=O)c1cccc(O)c1O)c1c(C)nn(C)c1C 790802674 HZYHFBJGEDSBAP-LBPRGKRZSA-N 303.362 2.329 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)c1ccccc1O 1959918777 VGQIWRSOFDPGKM-UBHSHLNASA-N 310.394 2.056 10 10 DECE Cc1ccc(C)c(OCC(=O)NCc2cc(O)ccc2O)c1 1303223371 MSMVVDMXICCOEJ-UHFFFAOYSA-N 301.342 2.410 10 10 DECE Oc1c(Br)cccc1CNC[C@H]1CCC[C@@H]1O 89164733 NGVOGVACGLWQNK-SKDRFNHKSA-N 300.196 2.405 10 10 DECE C[C@H](N)c1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694152752 WWRLZKQZBGTUHT-JTQLQIEISA-N 304.843 2.231 10 10 DECE Cc1cc(CC(=O)N2NC(=O)C[C@H]2C)c(C)n1-c1ccccc1 1542591798 FACULWYOZLEHKK-CYBMUJFWSA-N 311.385 2.289 10 10 DECE CCN(CC)Cc1ccc(C(=O)NCc2c(O)cccc2O)o1 1558534537 UDDHBFRYPIBMDM-UHFFFAOYSA-N 318.373 2.463 10 10 DECE CO[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C 1621332350 LCWASUJRGMRPJR-NEPJUHHUSA-N 304.350 2.392 10 10 DECE CCn1nc(C(=O)NCc2c(O)ccc3ccccc23)ccc1=O 1558554823 WFTZSAWUKCKPPO-UHFFFAOYSA-N 323.352 2.052 10 10 DECE CCCN[C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 1495119941 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VYYPIFXKVSKBEN-JCURWCKSSA-N 311.337 2.006 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCC4(CCCC4)C3)c2n1 2064980965 KTTRJYBQXQHLTD-UHFFFAOYSA-N 300.362 2.150 10 10 DECE O=C(O)[C@@]1(CO)CCCN1Cc1cc(Cl)cc(Cl)c1O 2201055092 KXBQHLMPYRBOMM-ZDUSSCGKSA-N 320.172 2.111 10 10 DECE Cn1cnc2c1CN(c1ccc(CN)c(Br)c1)CC2 2114267753 NOFMORRZKVGTQC-UHFFFAOYSA-N 321.222 2.204 10 10 DECE COC1([C@@H](N)CNCc2cnc(SC)s2)CCCC1 2269310502 HGWGAGGBVURVQG-NSHDSACASA-N 301.481 2.241 10 10 DECE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cccc(Cl)c1O 2279354494 PSIWKDZDAYJHFE-PWSUYJOCSA-N 317.838 2.443 10 10 DECE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2293039569 NOXFPQYJWMPYFL-SSDOTTSWSA-N 309.368 2.067 10 10 DECE CSc1ncc(CNC(=O)C[C@H](CC(=O)O)C2CC2)s1 2284535970 GPYLKYCMANJOJZ-SECBINFHSA-N 314.432 2.372 10 10 DECE CC[C@@H](CN)C(=O)NCc1ccc(C)c(Br)c1O 2327797500 XLYYVROWEBSRHZ-VIFPVBQESA-N 315.211 2.064 10 10 DECE CCc1ncc2c(n1)CN(Cc1cc3c(cc1O)OCO3)CC2 119799934 NYHXJVLMBXXTCU-UHFFFAOYSA-N 313.357 2.032 10 10 DECE CCN(CC)C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 125678774 ATOZAHOCTAPBBU-UHFFFAOYSA-N 310.394 2.017 10 10 DECE Nc1ccc(CCNS(=O)(=O)/C=C\c2ccccc2)cc1 214078921 OUEQSXHZNMIQDS-QBFSEMIESA-N 302.399 2.402 10 10 DECE CN(C)CCCN(C)C(=O)NCCCSc1nccs1 186440437 UROSRFOFZKKYCI-UHFFFAOYSA-N 316.496 2.218 10 10 DECE COc1ccc(O)c([C@@H](C)NCc2cc(C)nc(N(C)C)n2)c1 189243638 JJCNGUOPPPVWDE-GFCCVEGCSA-N 316.405 2.416 10 10 DECE C[C@H](NCCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1 183907324 SRUCMIGBJRHFLJ-HNNXBMFYSA-N 320.433 2.327 10 10 DECE Cc1cc(C)n(C[C@@H]2CN(Cc3cc(F)ccc3O)CCO2)n1 180117989 DHSKCIRKGSCVBY-INIZCTEOSA-N 319.380 2.246 10 10 DECE C[C@H](CC[S@](=O)CC(=O)c1ccc(O)c(O)c1)C(F)F 2364116103 DLNSVXHBBVHAAS-SQFXPLBJSA-N 306.330 2.321 10 10 DECE Nc1ccc(NC(=O)C[S@](=O)c2cc(F)ccc2F)cc1 40970769 NAKXDBPAICABEB-OAQYLSRUSA-N 310.325 2.293 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12C[C@@H]1COC2(C)C 611658203 RYNSSZQBFROJJB-KZULUSFZSA-N 316.401 2.293 10 10 DECE CCc1n[nH]cc1C(=O)NCc1cc(Br)ccc1O 804734744 XUUOVENQNAQUND-UHFFFAOYSA-N 324.178 2.370 10 10 DECE CCOc1ccc(O)c(CNC[C@H](CO)c2cccnc2)c1 808430905 LITPVYJPICXHMP-OAHLLOKOSA-N 302.374 2.052 10 10 DECE CN(C)c1ccc(CNC(=O)C2(CF)CCOCC2)cc1F 822863196 MVUMWOPCGMSTMF-UHFFFAOYSA-N 312.360 2.274 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2nc[nH]c2C1 821843560 UBDSGDXYMVBWOM-HNNXBMFYSA-N 324.428 2.431 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C1(N)CC1 1951533231 CFFMPPFGLUYTGN-ZDUSSCGKSA-N 308.378 2.025 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)[C@H]3CCCO3)C2)cc1 912293563 ZSUZVZQCRWJHRL-JKIFEVAISA-N 318.417 2.205 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@@H](C)C1(S(C)(=O)=O)CC1 840947502 WYOZPVGUJFADJI-ZDUSSCGKSA-N 310.463 2.116 10 10 DECE c1cc(N2CCSCC2)ccc1CNC1=NCCCCN1 849215699 YJTHPTJZNQOVKY-UHFFFAOYSA-N 304.463 2.069 10 10 DECE Cc1cc(Cl)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O 841890585 CUVBUOXYDAWTHC-STQMWFEESA-N 312.841 2.241 10 10 DECE C[C@H]1CC[C@H](NCc2ccc3c(c2)CCCO3)CS1(=O)=O 922244501 NMOXTUWOJCPCJD-WFASDCNBSA-N 309.431 2.067 10 10 DECE 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2283704658 XLJWNVKUCYLPQS-FQEVSTJZSA-N 304.362 2.026 10 10 DECE CP(C)(=O)[C@@H]1CN(c2c(F)cc(CN)cc2F)CCO1 2289195805 DQVANPKOLMUERR-GFCCVEGCSA-N 304.277 2.209 10 10 DECE CCOC(=O)COc1ccccc1C=C1SC(=S)NC1=O 2297223508 CSJDYDJRKDQIDZ-UHFFFAOYSA-N 323.395 2.117 10 10 DECE CCCN1CCN([C@H](C(=O)O)c2ccc(N(C)C)cc2)C[C@H]1C 249997672 OJPFRYQJRCHRJY-PBHICJAKSA-N 319.449 2.294 10 10 DECE Cc1ccc(CN2CC[C@](C)(O)C2)c(O)c1Br 2307564887 FPKKSRLCANOVBG-ZDUSSCGKSA-N 300.196 2.420 10 10 DECE CC(C)OC(=O)c1cccc(N=NN2CCC(C(N)=O)CC2)c1 2330345176 UXEARGTVLVRGBZ-UHFFFAOYSA-N 318.377 2.448 10 10 DECE CCCN[C@H]1C[C@@H](OC)[C@@H](OC)[C@H]1Sc1nccs1 2330255801 LASXTRLBAFRTPG-QCNOEVLYSA-N 302.465 2.406 10 10 DECE COC[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 103383633 ZTCUSRDAEHWVCI-CQSZACIVSA-N 306.406 2.016 10 10 DECE Nc1ccc(OCCNc2ncc(Br)cn2)cc1 111751173 SKHBARASFGZYKV-UHFFFAOYSA-N 309.167 2.312 10 10 DECE N[C@H]1C(=O)Nc2cc(N(CCO)C3CCCC3)c(Cl)cc21 118705900 NGNIDDCQFCTQGT-CQSZACIVSA-N 309.797 2.033 10 10 DECE CC[C@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 301312786 JHOJZQZOCNDOIR-IYNGYCSASA-N 320.345 2.396 10 10 DECE Cc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)c(O)c1O 182480535 GLUXCGVMDGXEBE-UHFFFAOYSA-N 315.373 2.160 10 10 DECE Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(N)c1 40335359 NOXQIOBWEXLBJC-UHFFFAOYSA-N 306.387 2.104 10 10 DECE CCOc1ccc(O)c(CN2CCC[C@@H](CCC(N)=O)C2)c1 92660602 GKTUEWNAMYRMST-ZDUSSCGKSA-N 306.406 2.268 10 10 DECE Cc1c(Br)cc([C@H](N)CN)c(O)c1Br 238504198 CBQKWTSQOVAGNX-SSDOTTSWSA-N 324.016 2.184 10 10 DECE CCOc1cccc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)c1O 245754900 OLGATDQDDXFZKE-GOEBONIOSA-N 322.449 2.068 10 10 DECE Oc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1O 575288070 VCXQFLPCTVBVDL-LLVKDONJSA-N 304.312 2.387 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2nc[nH]c2C1 827962739 RMABUIBFZSRBHH-ZDUSSCGKSA-N 312.417 2.205 10 10 DECE CCCCN1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588405030 IMUINPPDYXUWEF-ALCCZGGFSA-N 318.417 2.492 10 10 DECE C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1CCN 903976785 ANRDILATMMGGSK-NXEZZACHSA-N 313.785 2.371 10 10 DECE CCN(CCn1nc2ccccn2c1=O)c1ccc(OC)cc1 746109201 MGUTWSFXYVQIRX-UHFFFAOYSA-N 312.373 2.031 10 10 DECE Cc1cc(O)c(CNC[C@H](C)CN2CCOCC2)c(Cl)c1 840901049 XHPIELAUVYWKCJ-ZDUSSCGKSA-N 312.841 2.412 10 10 DECE Cc1cc(O)c(CNC[C@H](C)N2CCN(C)CC2)c(Cl)c1 840890498 NVOBXWLNMYSGGP-ZDUSSCGKSA-N 311.857 2.080 10 10 DECE Oc1cc2c(cc1CN[C@@H](C1CCOCC1)C1CC1)OCO2 846043392 YYJRQAADTWACSY-QGZVFWFLSA-N 305.374 2.416 10 10 DECE CCOc1cccc(CNCC(C)(C)[C@@]2(O)CCOC2)c1O 842758746 OCQKXRULRQELTL-QGZVFWFLSA-N 309.406 2.058 10 10 DECE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(O)c1O 846621643 QXGSETLNCUODLW-LLVKDONJSA-N 309.362 2.290 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCCC2(CN)CC2)cc1 846135648 FIYDUPRSMFDRJE-UHFFFAOYSA-N 318.465 2.461 10 10 DECE CN1CCC[C@H](CCNC(=O)NCc2c(O)cccc2F)C1 922854838 YIAJXXMVTIXFNF-GFCCVEGCSA-N 309.385 2.062 10 10 DECE COCc1ccc([C@H]2COCCN2C(=O)c2cc(O)cs2)o1 928516450 XWYVGJIPHKYDLQ-GFCCVEGCSA-N 323.370 2.407 10 10 DECE CN(C)[C@H](CCNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F 922752174 AJBOOFATFOMECY-GFCCVEGCSA-N 321.299 2.273 10 10 DECE C[C@@H](NCC[S@](=O)CC(F)(F)F)c1ccc(F)cc1O 850495482 DVWFRFCGLJSEDF-SQFXPLBJSA-N 313.316 2.493 10 10 DECE CCOc1ccc(CN[C@@H](COC)C2CCOCC2)c(O)c1 850351194 KQQCNWUJMBCRGQ-INIZCTEOSA-N 309.406 2.322 10 10 DECE COC(=O)c1cc(OC[C@@H]2COC(C)(C)O2)ccc1N(C)C 865395096 ITMCHTACPSIGTL-GFCCVEGCSA-N 309.362 2.070 10 10 DECE C[C@H](NCc1c(O)ccc(Cl)c1F)C1(S(C)(=O)=O)CC1 796491821 RDYHKSBBOAACMK-QMMMGPOBSA-N 321.801 2.240 10 10 DECE Cc1cc(Br)cc(CN2C[C@@H](O)[C@H](C)C2)c1O 897679984 DOFYAVZJRIXLTP-BXKDBHETSA-N 300.196 2.276 10 10 DECE c1ccc(COc2ccc(N3CCOCC34CNC4)cc2)cc1 1899868342 UEAFFUNRMBOZPG-UHFFFAOYSA-N 310.397 2.444 10 10 DECE C[C@@H]1C[C@](O)([C@@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 1900090304 ANINBRRSZAWVLR-HYSWKAIVSA-N 322.405 2.152 10 10 DECE NCc1nccnc1NCc1cccc(Br)c1O 1163217553 OWEZYCODCWRAOR-UHFFFAOYSA-N 309.167 2.016 10 10 DECE Oc1cccc(CN[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O 398434158 FKXYNAZUFQTGRF-VQFNDLOPSA-N 310.397 2.318 10 10 DECE OCCC1(NCc2cc(F)cc(F)c2O)CCSCC1 708420536 JHGHDHKGHYIIBA-UHFFFAOYSA-N 303.374 2.408 10 10 DECE COc1cc(Cl)cc(CN[C@@H]2CCC2(OC)OC)c1O 711438529 DXJHGGXBBWGNRK-GFCCVEGCSA-N 301.770 2.295 10 10 DECE Nc1ccc(NC(=O)NCc2n[nH]cc2Br)cc1 719320380 OAPXJWAJOGSDJM-UHFFFAOYSA-N 310.155 2.076 10 10 DECE CNc1cc(CNC(=O)NCc2cc(C)ccc2O)ccn1 1521343217 ZIPZQJZAXWIKNR-UHFFFAOYSA-N 300.362 2.137 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cccc2c1OCCCO2 1651225555 OIOSSCFHEUWEEN-UHFFFAOYSA-N 315.325 2.189 10 10 DECE Oc1ccc(Br)cc1CNC1CC(n2ccnn2)C1 2127685097 HENCEHVBVUHFRR-UHFFFAOYSA-N 323.194 2.240 10 10 DECE CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccncc2)SC1=S 5832938 VRGPCICABMEWHR-HUYFXPKMSA-N 322.411 2.392 10 10 DECE Cc1ccc(S(N)(=O)=O)cc1NCc1cccc(C)c1O 165011291 JAPZJRNTGOCGCL-UHFFFAOYSA-N 306.387 2.269 10 10 DECE O=C(O)C=Cc1ccc(N2C[C@H]3COC[C@H]32)cc1Br 2129733415 YLQSLSLOGAJVFS-GXFFZTMASA-N 324.174 2.382 10 10 DECE N[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1915443478 IYSMFXLZKIIBFP-MAUKXSAKSA-N 323.396 2.434 10 10 DECE CNC(=O)[C@H](C)N(C)c1ccc([C@H](C)O)c(Br)c1 1916780974 QUIZGNKMDFPMJB-IUCAKERBSA-N 315.211 2.073 10 10 DECE CC(C)N1CCN(c2ccc(CN)c(Br)c2)CC1 228148396 YFJQPFNMWYBXGQ-UHFFFAOYSA-N 312.255 2.438 10 10 DECE Nc1ccc(CNC(=O)c2sncc2Br)cc1 1941494657 PWBOSWXRONRAKX-UHFFFAOYSA-N 312.192 2.418 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CCc1ccc(O)c(O)c1)C(=O)O 1951401534 GMNFBAGNUQIROR-JTQLQIEISA-N 311.334 2.008 10 10 DECE CN(CC=C[C@H](N)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1952711972 VKSAAIIPVJPUGY-ZDUSSCGKSA-N 322.405 2.391 10 10 DECE Oc1c(Br)cccc1CNCc1cnsn1 1979640583 YGNONJNTRAURBZ-UHFFFAOYSA-N 300.181 2.296 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985102380 GGFQSSFUCUFZSZ-HFAKWTLXSA-N 321.381 2.201 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCCN=[N+]=[N-])C12CCC2 1989496524 OLEOGSQZAZYMAW-QWRGUYRKSA-N 323.397 2.496 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](O)C3(CC3)C2)cc1Br 2032398577 VMEBCYCEWKEPRK-NOZJJQNGSA-N 312.207 2.464 10 10 DECE Oc1ccc(Br)cc1CN1CCNCC12CCC2 2035794434 RKPZTSANSBPOFW-UHFFFAOYSA-N 311.223 2.483 10 10 DECE C[C@H]1C[C@@H](CO)CN(c2ccc(CN)cc2Br)C1 399094348 SEOCTKULZDQPDH-CMPLNLGQSA-N 313.239 2.363 10 10 DECE CN1CCc2cc([C@@H](N)c3ncn(C)c3Br)ccc21 2106798794 OUYHZUKTPKOZBN-GFCCVEGCSA-N 321.222 2.223 10 10 DECE Cc1cc(OCc2ccccc2)ccc1Nc1nnc(=N)[nH]n1 2210653361 IAHIYOJJTWXQGF-UHFFFAOYSA-N 308.345 2.310 10 10 DECE COc1ccc(N2C[C@@H](C)CC[C@H]2C2OCCO2)c(C(=O)O)c1 2235958617 UBXXVAGGRAEBQF-NHYWBVRUSA-N 321.373 2.371 10 10 DECE COc1cc(OC)c(N2CCS[C@H](CO)C2)cc1Cl 2270387071 YUFKYEVSMUAJGN-VIFPVBQESA-N 303.811 2.271 10 10 DECE CSc1ncc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)s1 2284498432 JENWZLUPBTUAMJ-FGWVZKOKSA-N 311.476 2.402 10 10 DECE CN(Cc1ncc[nH]1)C1CCN(c2ccc3c(c2)OCO3)CC1 65528468 AOHRORQWFUGYMS-UHFFFAOYSA-N 314.389 2.239 10 10 DECE Cc1ccc(CN2CC[C@H](C(=O)O)C2)c(O)c1Br 2327620357 CBTWBPQETSRIRK-JTQLQIEISA-N 314.179 2.370 10 10 DECE CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 172604535 BVMCVIADWYOVKR-MRXNPFEDSA-N 305.422 2.103 10 10 DECE Nc1ccc(OCC(=O)NC(=O)c2ccccc2Cl)cc1 38055691 JJLGQGBWESFBKN-UHFFFAOYSA-N 304.733 2.258 10 10 DECE COc1cc(O)c(CNCCc2ncccc2C)cc1OC 294954277 HUPKSMUXDMSWRA-UHFFFAOYSA-N 302.374 2.445 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2164680995 ZQOIYYTUDUTFBR-LPEHRKFASA-N 308.354 2.240 10 10 DECE COc1ccc(Cn2ccnc2SCC(=O)C(C)=O)cc1 808034538 WFTBGKNMUWUUAJ-UHFFFAOYSA-N 304.371 2.190 10 10 DECE CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 827982216 OGQMLNNIKLPBSE-ZBEGNZNMSA-N 304.390 2.264 10 10 DECE CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@@H]1SC 828132296 FIFUGCWATUKTEI-YUELXQCFSA-N 324.446 2.443 10 10 DECE C[C@@H](N[C@@H]1CON(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 722501636 GEEBGKDUDFRWQO-MNOVXSKESA-N 324.377 2.299 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1cn(CC2CC2)nn1 825678644 HRGUNHQARHKNIY-UHFFFAOYSA-N 314.389 2.446 10 10 DECE CCNS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C 736324922 JUOSURGDCNIWIH-UHFFFAOYSA-N 321.446 2.081 10 10 DECE Cc1nc2n(n1)C[C@H](NC/C=C/c1ccc(N(C)C)cc1)CC2 835035326 AQBVOBUUQVEQHJ-DWTRPJMMSA-N 311.433 2.270 10 10 DECE CC[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCCO1 848603023 KANWSEYZTVGLPF-CVEARBPZSA-N 305.422 2.458 10 10 DECE CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(C)ccc2O)C1 843433324 XMTTTYAOBXADEW-AWEZNQCLSA-N 316.323 2.201 10 10 DECE C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)CO 924759898 NWFRORKIRIFBMB-ZDUSSCGKSA-N 324.440 2.283 10 10 DECE COc1ccc(N2CCN(CCN[C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 840717088 QSMUPHYXCOPPSK-FRQCXROJSA-N 317.477 2.451 10 10 DECE CCCCC[C@H](O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227250 WSEMYCCEAXVPHD-PBHICJAKSA-N 320.433 2.331 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@](O)(c2cccc(O)c2O)C1 687745479 SDBGARNBNZTVHI-INIZCTEOSA-N 309.362 2.316 10 10 DECE Cc1ccc(NCCNC(=O)NCc2c(O)cccc2F)nc1 927471807 GAQVUJZYDUXYAK-UHFFFAOYSA-N 318.352 2.146 10 10 DECE C[C@H](N[C@@H]1CNOC1)c1cc(Br)cc(Cl)c1O 925862899 ZYEKMJPYTVQORI-POYBYMJQSA-N 321.602 2.362 10 10 DECE C[C@@H](Cc1cnn(C)c1)C(=O)NCc1ccc2cccnc2c1O 862025226 PCYQNVBNZQHKEX-LBPRGKRZSA-N 324.384 2.169 10 10 DECE CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2[C@H](C)[C@H](O)C3)c1O 879394498 IWTJCVUNLCCWRB-UOIJLSJOSA-N 307.365 2.468 10 10 DECE O=C(NCCCSc1nccs1)[C@@H]1C[C@H]1c1cnc[nH]1 874464331 BPUHVWPILMRNEU-NXEZZACHSA-N 308.432 2.268 10 10 DECE CCN(C)c1ccc([C@@H](C)NCCC2CS(=O)(=O)C2)cc1 786949914 KKWRQWOZYYAKAK-CYBMUJFWSA-N 310.463 2.228 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]12C[C@H]1COC21CCC1 890173400 KSTPUFHRCUODEY-PSEBICBPSA-N 315.369 2.186 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(F)c1O 1138152127 AVARMOSYXFUIIM-QMMMGPOBSA-N 323.295 2.443 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H](CO)c1ccc(Cl)cc1 1153798380 QRDRZJPOXIHKQE-CYBMUJFWSA-N 321.760 2.144 10 10 DECE C[C@@H](NC(=O)C1=C[S@](=O)CCC1)c1ccc(N(C)C)cc1 1154668949 NDBOXNGEXZMWHI-XUSGNXJCSA-N 306.431 2.356 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(C2CCCCC2)C1 1303225677 MQVVGQCVFWTVMX-CYBMUJFWSA-N 318.417 2.369 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2ccn(C)c2)cc1C 1317237739 FXOJDFGDZMHPQA-CQSZACIVSA-N 315.417 2.250 10 10 DECE Oc1ccc(Br)cc1CN1CCOC[C@H]1CF 1971794157 VCYQGTVYROJCCZ-LLVKDONJSA-N 304.159 2.325 10 10 DECE C[C@@H]1C[C@@H](O)CCN1c1ccc(CO)cc1Br 705198823 JJCRXOBNPMWABF-KOLCDFICSA-N 300.196 2.291 10 10 DECE CC(=O)N(CC(=O)NCc1c(O)cccc1F)c1ccccc1 1178413505 TUIIOTJPHVCWPE-UHFFFAOYSA-N 316.332 2.201 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccc(Cn2cccn2)o1 1178410075 LCFGWJFYXGLARC-UHFFFAOYSA-N 315.304 2.299 10 10 DECE C[C@@H]1CC(F)(F)CCN1S(=O)(=O)Cc1ccc(N)cc1 697167775 YJKSRVGHXJUOLW-SNVBAGLBSA-N 304.362 2.218 10 10 DECE COc1cc(C)cc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1295404590 YVTVDGIKNUWUOM-UHFFFAOYSA-N 301.342 2.274 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ncoc1C(F)(F)F 1465981952 UVJIOJCJNVWKSW-UHFFFAOYSA-N 316.235 2.077 10 10 DECE O=C1O[C@@H](C(=O)N2Cc3cccc(O)c3C2)Cc2ccccc21 1471355682 QSDBODCASACFDI-MRXNPFEDSA-N 309.321 2.016 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2123329089 IHZMGKZMQPIJQE-MWLCHTKSSA-N 303.811 2.017 10 10 DECE COC(=O)[C@](C)(NC(=O)c1cc(O)cs1)c1ccccc1 1627905539 ITKQSZSEMXXRCL-OAHLLOKOSA-N 305.355 2.272 10 10 DECE Cn1cc(C(C)(C)NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1629361594 YYFVGIWHWPMKED-UHFFFAOYSA-N 314.349 2.248 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C 1715921406 JQXYYPRPSAJQOX-CYBMUJFWSA-N 320.433 2.213 10 10 DECE O=C(NCc1ccccc1O)c1cc(O)ncc1Br 1636058361 YKKVRHDMVIWWJT-UHFFFAOYSA-N 323.146 2.185 10 10 DECE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)OC)C2)cc1C 1565838481 NJSAEBWFJMEMKA-BMFZPTHFSA-N 320.433 2.023 10 10 DECE CCc1nc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1633216306 HXPVXTGRHRSAMR-QMMMGPOBSA-N 315.337 2.021 10 10 DECE O=C(NC[C@@H](O)c1ccco1)c1cc2cc(O)c(O)cc2s1 1630110042 PTVHTLDOPUCTAV-LLVKDONJSA-N 319.338 2.369 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc2ccccc2nc1O 1644708917 VHKFMQNPHJODBK-UHFFFAOYSA-N 310.309 2.282 10 10 DECE COc1cc(C)cc(C(=O)NCc2cc(O)ccc2O)c1O 1643881833 HMODLCNMTDLRKN-UHFFFAOYSA-N 303.314 2.050 10 10 DECE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2O 1914612174 ZOYGBYPROMKTEZ-SJCJKPOMSA-N 312.369 2.060 10 10 DECE Cc1noc([C@@H](NC(=O)NCc2ccccc2O)C(C)C)n1 1685824151 HQWBLEWGQBMLKQ-ZDUSSCGKSA-N 304.350 2.280 10 10 DECE CN(C)C(=O)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1F 160356418 DEODQOLVGFEXKH-UHFFFAOYSA-N 315.348 2.291 10 10 DECE COC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)C1CC1 151718075 LKYQVOIHPWEWLJ-AWEZNQCLSA-N 313.357 2.405 10 10 DECE C[C@@H](NCC1CCN(CCO)CC1)c1ccc(N(C)C)cc1 151815436 BRDMTOPOSOWVDJ-OAHLLOKOSA-N 305.466 2.108 10 10 DECE O=C(CCN1C(=O)CSC1=S)Nc1c(F)cccc1F 1865769380 YVUWHPYDWLWASP-UHFFFAOYSA-N 316.354 2.154 10 10 DECE CCCN[C@@](CSc1nccs1)(C(N)=O)C1(Cl)CC1 2141534292 RWYUTVBRTYHDRQ-LBPRGKRZSA-N 319.883 2.230 10 10 DECE NCc1ccc(N2CC3(CCC4(CC3)OCCO4)C2)cc1F 1923479407 WXYBOOBPGBWRNW-UHFFFAOYSA-N 306.381 2.408 10 10 DECE COc1cc(C(=O)C(C)=O)ccc1I 1951492851 DMFMJOARAJMNKW-UHFFFAOYSA-N 304.083 2.072 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](Nc2ccccc2N)C1 1981509885 SVDAFBHSLRBSSV-DOMZBBRYSA-N 321.421 2.299 10 10 DECE Cc1cccc(CNC2=NCCN(C(=O)OC(C)(C)C)C2)c1O 1994457379 ZXAKWYDAXPBHEH-UHFFFAOYSA-N 319.405 2.439 10 10 DECE Cc1cccc(N2N=C(C(=O)O)[C@@H](C)C2=O)c1Br 2037176538 GGBVKHIOYJYIHF-SSDOTTSWSA-N 311.135 2.181 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC[C@@]23CCSC3)cc1 2158506003 MUEZVCXFDHSAQL-AWEZNQCLSA-N 312.460 2.070 10 10 DECE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc([C@@H](C)N)cc1F 2170636934 XHDGHQHXBNGIIW-OUAUKWLOSA-N 302.415 2.103 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)C3O)cc1Br 2052756651 HWQXFIONKNPAFM-UDAJDXAQSA-N 312.207 2.319 10 10 DECE CSc1ncc(CNCCS(=O)(=O)C2CCCC2)s1 2269204356 WIISKOLNFKVVRQ-UHFFFAOYSA-N 320.505 2.312 10 10 DECE Cn1cc(Br)c(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])n1 2218737386 HDEWZSGEZNEUOL-JGVFFNPUSA-N 313.159 2.144 10 10 DECE C[C@]1(C(=O)O)C=CCN1Cc1cc(Br)ccc1O 2221446261 QRBLNQKJMWZEMR-CYBMUJFWSA-N 312.163 2.370 10 10 DECE CN(C)C[C@@H]1C=CCN1c1ccc(CO)cc1Br 2222837614 XZNFOVBBZUMIFG-LBPRGKRZSA-N 311.223 2.248 10 10 DECE CSc1nnc(Sc2ncc(C(=N)NO)s2)s1 2253282622 GXTCYZBWOSBLIO-UHFFFAOYSA-N 305.435 2.172 10 10 DECE [N-]=[N+]=NC1CN(C(=O)c2ccc(Br)c(F)c2N)C1 2258843482 KCBCMFKYKWJZDG-UHFFFAOYSA-N 314.118 2.305 10 10 DECE COC1([C@H](N)CNCc2cnc(SC)s2)CCCC1 2269310501 HGWGAGGBVURVQG-LLVKDONJSA-N 301.481 2.241 10 10 DECE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)c1 2293250207 OGPIYXSDUSLRPV-UHFFFAOYSA-N 323.352 2.308 10 10 DECE Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1 2297333143 BIYBQVPTGUWJAC-UHFFFAOYSA-N 310.309 2.250 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CCS[C@@H]2C)s1 2322189165 XWTKZSJTGVSQCR-RDDDGLTNSA-N 304.462 2.303 10 10 DECE Cc1ccc(CN2CC(C)(C(=N)N)C2)c(O)c1Br 2327623243 FQRGHDGUWRNCNP-UHFFFAOYSA-N 312.211 2.221 10 10 DECE Cc1ccc(CN2CC3(CCNC3)C2)c(O)c1Br 2327791099 ZBRDDPRBVXLGNF-UHFFFAOYSA-N 311.223 2.258 10 10 DECE COC(C)(C)[C@](C)(NCc1cnc(SC)s1)C(=O)O 2349495492 KTTPGAGRSXYGLY-GFCCVEGCSA-N 304.437 2.223 10 10 DECE COc1cc(O)c(CN(C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC 180423586 GPXWSZGSAPDIHG-JSGCOSHPSA-N 308.422 2.324 10 10 DECE CN(C[C@@H](O)COCc1ccccc1)c1ccc2c(c1)OCO2 121253190 FDGGLFITOZRNGS-MRXNPFEDSA-N 315.369 2.429 10 10 DECE CC[C@H]1CN(c2ccc(CN)cc2Br)CCN1C 212903537 CSBPRHQMNHFZDA-LBPRGKRZSA-N 312.255 2.438 10 10 DECE CN(Cc1cc(-c2cnn(C)c2)no1)c1ccc2c(c1)OCO2 185043080 HZQLSTBEYODOPT-UHFFFAOYSA-N 312.329 2.440 10 10 DECE CCn1cc([C@@H]2CN(Cc3cc(OC)ccc3O)CCO2)cn1 191708826 ZXTQWMFYKNEXMQ-KRWDZBQOSA-N 317.389 2.191 10 10 DECE NC(=O)[C@](CSc1nccs1)(NC1CC1)c1ccccc1 45595977 ICGFQTFSOWYNMK-OAHLLOKOSA-N 319.455 2.368 10 10 DECE Nc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 237978053 YZUFYUGAEJBOLU-UHFFFAOYSA-N 313.382 2.346 10 10 DECE CCCCNCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 240613859 AAHSGYPAUCIUHE-UHFFFAOYSA-N 319.449 2.124 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2c2ncon2)c1O 365793112 DSZXMVVHYSGCLK-NSHDSACASA-N 320.305 2.029 10 10 DECE Oc1cc2c(cc1CN1CCC(c3ncc[nH]3)CC1)OCO2 271209609 USTKZWBUKVLGIJ-UHFFFAOYSA-N 301.346 2.224 10 10 DECE Oc1cc2c(cc1CN1CCC(c3cnc[nH]3)CC1)OCO2 377235092 YGFYEHIOGFCQQB-UHFFFAOYSA-N 301.346 2.224 10 10 DECE COc1ccc(C2(C(=O)OCC(=O)C(C)=O)CCCC2)cc1 808510592 ZHHZYAIGJIGPHJ-UHFFFAOYSA-N 304.342 2.208 10 10 DECE O=C(NCc1ccccc1O)c1cc(N2CCCCC2)ncn1 816911833 AENJVAPBAXEXJO-UHFFFAOYSA-N 312.373 2.103 10 10 DECE CC[C@@H]1C[C@H](NC(=O)NCc2cccc(OC)c2O)CCO1 817789877 SYCFSAYSULNXOF-CHWSQXEVSA-N 308.378 2.158 10 10 DECE CCOc1ccc(CN2C[C@H]3CC[C@H]2[C@@H]2CNC[C@@H]32)c(O)c1 903965295 WVVYXLUORQNTDY-ZFVVBOAOSA-N 302.418 2.221 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H](O)C2CCC2)cc1F 825800649 AVUCXIZSMSESAL-INIZCTEOSA-N 308.397 2.449 10 10 DECE COC(=O)c1cc(OCCCCCNC(C)=O)ccc1N(C)C 902618469 ZZNVUTMNNDJYEP-UHFFFAOYSA-N 322.405 2.224 10 10 DECE CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc2cccnc2c1O 911262122 OXSOGVSXJGCIEW-AWEZNQCLSA-N 313.401 2.429 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCCC1SCCS1 856219980 FQGISCNUAANAPR-DUXPYHPUSA-N 311.428 2.423 10 10 DECE COc1ccc(N2CC[C@@H](N[C@H](C)c3nccn3C)C2)cc1 850488898 PBBCDUUZTHBPFH-ZIAGYGMSSA-N 300.406 2.358 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3scnc3C)C2)cc1 855232312 PMKWHIXDMVTSIG-LBPRGKRZSA-N 317.414 2.469 10 10 DECE C[C@H](NCC1COC1)c1ccc(N2CCOCC2)cc1Cl 858550319 MKNUZSDCVITNNE-LBPRGKRZSA-N 310.825 2.474 10 10 DECE C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C=CCC1 930523543 PLUGMNVFSYDOLM-GOSISDBHSA-N 300.402 2.496 10 10 DECE COc1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1O 862433244 UHSYFRHATAZNMS-QGZVFWFLSA-N 303.358 2.104 10 10 DECE COC[C@]1(C)CN(Cc2cc(Cl)c(F)cc2O)CCO1 862551220 KCOSJTGFAUHLSP-AWEZNQCLSA-N 303.761 2.422 10 10 DECE CCOc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1 770380769 QQJVTLPMADZVJK-ZBFHGGJFSA-N 318.417 2.282 10 10 DECE CN(C(=O)c1cc(=N)[nH]cc1Br)c1ccc(N)cc1 1876481898 BFWKGJDTEZVAOA-UHFFFAOYSA-N 321.178 2.115 10 10 DECE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCCC[C@H]1C 1136243534 GDHXZHGRCSXEPR-OLZOCXBDSA-N 306.406 2.019 10 10 DECE Cc1ccc(CNCc2cn(C)nc2Br)c(O)c1 896282806 WBHAMLCKEHFGGP-UHFFFAOYSA-N 310.195 2.486 10 10 DECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ncn(C)n1 1141562260 LBWLBAIRSVVYEM-UHFFFAOYSA-N 323.356 2.287 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)C1=C[S@](=O)CCC1 1141537776 AZCMBIVZINCAFJ-JOCHJYFZSA-N 318.442 2.329 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@H](N)c2ccccc2O)CO1 1894720966 MNSCCYDRQDTVPJ-UXIGCNINSA-N 322.405 2.416 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)NCCN=[N+]=[N-])C[C@H]2C1 1965101385 CDXPIVCQOXSGDR-XHDPSFHLSA-N 323.397 2.450 10 10 DECE CCOC[C@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 708667569 CZHBXQQXXBXMEH-AWEZNQCLSA-N 324.421 2.412 10 10 DECE CN(C)c1ccc(/C=C/CN[C@@H]2CCO[C@@](C)(C(=O)O)C2)cc1 1262164260 BPHSLHXXQULSID-CHABLROBSA-N 318.417 2.378 10 10 DECE CN(C)c1ccc(CNC(=O)c2cccn3nccc23)cc1F 1358004224 PDUHJZMUSYSBJS-UHFFFAOYSA-N 312.348 2.469 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)/C=C/[C@H]2COC(C)(C)O2)c1 1294938364 ZFVAUXIOXZYSPV-FXSSULRXSA-N 321.373 2.286 10 10 DECE CC(C)C[C@@H](C(=O)NCc1cccc(O)c1O)n1ccnc1 1521852381 VDWJDZVWRJRQMP-ZDUSSCGKSA-N 303.362 2.198 10 10 DECE O=C(COc1ccsn1)NCc1ccc(N2CCCC2)cc1 1543590699 DCXPDHORIJDMRB-UHFFFAOYSA-N 317.414 2.439 10 10 DECE COc1cccnc1CC(=O)NCc1ccc2cccnc2c1O 1630532412 KXKWRTZGQBLRLY-UHFFFAOYSA-N 323.352 2.203 10 10 DECE C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(O)c1O 1566701070 SUPKVDQQWAGVJL-SKDRFNHKSA-N 307.371 2.401 10 10 DECE COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1643652057 GKBUKNDPLRBAFW-LBPRGKRZSA-N 320.349 2.167 10 10 DECE O=[N+]([O-])c1ccc(NN=NCCN2CCOCC2)c(Cl)c1 1860492199 IPANPCJFDWZNFY-UHFFFAOYSA-N 313.745 2.360 10 10 DECE COC(=O)/C=C\c1ccc(N2CCO[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 1772897784 OLQYVAXYIZLIIB-LWSHCTJVSA-N 320.345 2.395 10 10 DECE C[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)CN1CCOCC1 153167153 HXFMOYOTFJSKNI-JKSUJKDBSA-N 305.466 2.372 10 10 DECE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(F)cn2)c1 1857854079 NABIOOOXQQDTGH-UHFFFAOYSA-N 303.337 2.353 10 10 DECE NCc1ccc(N2CCC3(C2)CC2(C3)OCCO2)c(F)c1F 1917292906 LQWDCXVZYXUEBY-UHFFFAOYSA-N 310.344 2.157 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2O 1967768187 VMOZJOQIHXCATH-LIMOIJHXSA-N 312.207 2.404 10 10 DECE CC1(C)C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1OCc1ccccc1 1939561087 XGJPRWFIMWCUSZ-CZUORRHYSA-N 317.393 2.126 10 10 DECE COc1cccc([C@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1O 1952762825 NGFBUBZHZALOSD-QLJPJBMISA-N 323.345 2.225 10 10 DECE CC(C)(C)OC(=O)Nc1ccc([C@@H]2NCC[C@@H]2C(=O)O)c(O)c1 1952989676 WQDLKRZUEMJYIB-AAEUAGOBSA-N 322.361 2.474 10 10 DECE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(Cc1cc(N)ccc1O)C2 1977924005 CCFBYVRDCYADNW-PXAZEXFGSA-N 319.405 2.073 10 10 DECE CN[C@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2159436115 XPDHLHDRNHYWKB-SNVBAGLBSA-N 316.854 2.101 10 10 DECE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 707381336 DZQRCCRNUGARAT-ZJUUUORDSA-N 303.811 2.017 10 10 DECE CNCc1ccc(N2CCC3(CN(C)C3)C2)c(Br)c1 398925385 PIBCTUGFEFYYDN-UHFFFAOYSA-N 324.266 2.310 10 10 DECE CC[C@@](C)(NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2179877046 ZFOQCZPSIWGHDF-LLVKDONJSA-N 310.341 2.419 10 10 DECE COc1sccc1S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2225800597 PVXATUVESZTSGF-HTQZYQBOSA-N 302.381 2.266 10 10 DECE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccncc2)SC1=S 2293055335 VRGPCICABMEWHR-NSHDSACASA-N 322.411 2.392 10 10 DECE N=C1C(=Cc2ccco2)C(=O)N=C2SC(C(F)(F)F)=NN12 2295905620 HGRXOGALGDRSAM-UHFFFAOYSA-N 314.248 2.461 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1COc2ccccc2C1 2307986398 VAJPEEXLLSDHIG-AWEZNQCLSA-N 311.337 2.231 10 10 DECE Cn1cc(Br)nc1N1CCc2cc(O)c(O)cc2C1 2341217960 ZZAFPXJIDUHYLL-UHFFFAOYSA-N 324.178 2.157 10 10 DECE CC1(C)[C@H]2C(=O)N(c3ccc(N)cc3Br)C(=O)[C@@H]21 115277598 SBNZHRYNLRSBHA-NXEZZACHSA-N 309.163 2.177 10 10 DECE COc1ccc(N2CCN(CC3CCC(O)CC3)CC2)cc1 319300342 JTXXPFKNPWXVOE-UHFFFAOYSA-N 304.434 2.368 10 10 DECE COc1ccc(O)c(CNC(=O)c2nc(C)c(C)nc2C)c1 184718043 URLDRTNZBYZUKY-UHFFFAOYSA-N 301.346 2.046 10 10 DECE Nc1ccc(OC[C@@H](O)CN(CC(F)(F)F)C2CC2)cc1 42738521 MXTIWEMOXHTHDR-LBPRGKRZSA-N 304.312 2.035 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cc(-c2cccnc2)on1 130164819 ZOZDSMZGQZVWKZ-UHFFFAOYSA-N 311.297 2.078 10 10 DECE CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 195794306 QVFGUGGBYUPDGK-RVDMUPIBSA-N 323.308 2.398 10 10 DECE CCN(c1ccc(CN)cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 94634649 XOXMXOWVWZAUQE-HOTGVXAUSA-N 310.463 2.327 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2164678042 PCFLSGDLFJOXOY-IVZWLZJFSA-N 308.354 2.382 10 10 DECE CCOC(=O)COCCN1CCCCc2cc(OC)ccc21 809969679 XZIGXUCKWSXIGA-UHFFFAOYSA-N 307.390 2.418 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C(C)C)nn2)c1 815834841 BXLWDYOSXHFGPT-SNVBAGLBSA-N 304.350 2.064 10 10 DECE CCOC1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 828365431 VZFBTNZJEPJBIP-SOFGYWHQSA-N 320.345 2.396 10 10 DECE CN(C)c1ccc(CN2CCc3sc(CN)nc3C2)cc1F 903941697 DISKIZIVIWOSIS-UHFFFAOYSA-N 320.437 2.365 10 10 DECE C[C@H](NC(=O)NCCc1cn(C)cn1)c1ccc(N(C)C)cc1 838559135 KNRPUJNOVCZFNO-ZDUSSCGKSA-N 315.421 2.089 10 10 DECE Cn1cc([C@H](NC(=O)Cc2ccc(N)cc2)C(C)(C)C)cn1 831318442 VASUAFKIGJXZRA-INIZCTEOSA-N 300.406 2.448 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 913926656 IYOMVZZMMQGDTJ-UXLLHSPISA-N 315.417 2.143 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 844125511 FBJDSZRZOFAECW-MNOVXSKESA-N 321.373 2.338 10 10 DECE CCOc1ccc(CN2CCNC[C@H]2c2cccnc2)c(O)c1 843113867 CKEIJOOZAFOAOX-KRWDZBQOSA-N 313.401 2.332 10 10 DECE CCOc1ccc(CN2CCN(CCOC)CC2(C)C)c(O)c1 846101608 DSTCFQWJSIIBBC-UHFFFAOYSA-N 322.449 2.334 10 10 DECE CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1F 846102404 FOWZEFJWRQBWEP-DGCWBMGLSA-N 310.438 2.377 10 10 DECE C[C@H](NC[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1O 850545302 AMEUNOWCDRYRGY-IUCAKERBSA-N 302.296 2.340 10 10 DECE O=C(NCc1c(O)cccc1F)NC1CCC2(CC1)COC2 924029322 BUOFJBAZAHZPET-UHFFFAOYSA-N 308.353 2.290 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3nccs3)C2)cc1 853818053 RQHOLJQRJXBMBV-LLVKDONJSA-N 303.387 2.160 10 10 DECE COc1ccc(N(C)CCN(C)CCO[C@H]2CC2(F)F)cc1 852210819 BDASCNQMGPGYLZ-HNNXBMFYSA-N 314.376 2.487 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cnn(C)c3Cl)C2)cc1 850346587 HQOSMEXQDJFRLD-CYBMUJFWSA-N 320.824 2.451 10 10 DECE 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313.159 2.335 10 10 DECE O=C(NCc1csc(C(F)F)n1)c1ccc(O)c(O)c1 2188733960 ABYDZVLXVYSHQZ-UHFFFAOYSA-N 300.286 2.422 10 10 DECE C[C@H]1C[C@H]1N(CCO)c1ccc(CN)c(Br)c1F 2048204813 MBDPVOQMNKAVEG-GZMMTYOYSA-N 317.202 2.254 10 10 DECE NCc1cc(F)c(N2C[C@H]3OCC[C@@H]3C2)cc1Br 2051994226 ZKAXKPYXHVSMGD-AMIZOPFISA-N 315.186 2.272 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)c(Br)c1 2311862325 JDXSJFYUNHQPAY-AEHQLWAISA-N 312.207 2.319 10 10 DECE COC[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2327594534 AEULFNPLHAAZPJ-SECBINFHSA-N 316.195 2.362 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H]3[C@@H]2CO)c(O)c1Br 2327801921 WIXPMUKMKDXMFD-TUAOUCFPSA-N 312.207 2.276 10 10 DECE C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 77776905 NSJNNLULQLEVEO-UONOGXRCSA-N 305.422 2.103 10 10 DECE CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(OC)cc1O)CC2 93614374 MQBUXSWIMJVPCI-IRXDYDNUSA-N 321.417 2.153 10 10 DECE COc1cccc(CN(CC(N)=O)[C@H](C)c2ccccc2)c1O 93734421 FYMPTJQOSLWFDC-CYBMUJFWSA-N 314.385 2.449 10 10 DECE 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CCN(CC)c1ccc(CN[C@H](CO)c2ccnn2C)cc1 839178930 JDNDQJQUKTXXQS-MRXNPFEDSA-N 302.422 2.090 10 10 DECE Cc1cnc(F)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907273090 KUKYYHLMWYRYBI-JTQLQIEISA-N 304.321 2.301 10 10 DECE COc1ccc(CNC(=O)/C=C\C2(C)CCOCC2)c(O)c1 831617412 COTABNLQDFSABA-WAYWQWQTSA-N 305.374 2.390 10 10 DECE CC(=O)C(=O)COC(=O)C(F)(F)c1ccccc1OC(C)C 848862685 QIRUPRXGBPDDCK-UHFFFAOYSA-N 314.284 2.267 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H]3CN4CCC[C@H]3C4)C2)cc1 926611492 LUHAVHNOCNOUDO-GJYPPUQNSA-N 315.461 2.205 10 10 DECE COCCNC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 923389009 RLEJPADQFKJUTR-UHFFFAOYSA-N 305.466 2.261 10 10 DECE Cc1cc(CC(=O)N(C)CCCO)c(C)n1-c1ccccc1 854338886 AYXDTNFMVYCNBU-UHFFFAOYSA-N 300.402 2.477 10 10 DECE Cc1cc(Cl)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O 775711960 CCUKUXCERZPFSO-LLVKDONJSA-N 317.838 2.221 10 10 DECE CCO[C@H]1COCC[C@H]1Cc1nc(Cc2ccc(N)cc2)no1 872170083 CBLRMECEJBFNTC-ZFWWWQNUSA-N 317.389 2.227 10 10 DECE C[C@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O 797069010 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Nc1cccc(Br)c1N[C@@H]1[C@H]2C[C@@H]3CN[C@@H]1[C@H]3C2 2071646596 RFIKCKYJAZGDPK-BDPUXZDNSA-N 308.223 2.440 10 10 DECE O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2c(O)cccc2Cl)C1 2201868359 BGTXSLDBBBGICR-IINYFYTJSA-N 315.822 2.103 10 10 DECE COc1ccc(CNCCCS(=O)(=O)C(F)F)cc1C 2237644994 UPLFLZPCBWTNPX-UHFFFAOYSA-N 307.362 2.121 10 10 DECE CSc1ncc(CNC[C@]2(N)[C@@H]3CCO[C@@H]3C2(C)C)s1 2284729487 PXGAFGSMACEDGI-SUNKGSAMSA-N 313.492 2.097 10 10 DECE Cc1ccc(N2C(=O)C(=Cc3ccoc3)C(=O)NC2=S)cc1 2297060084 BLHNSZIUBRQFRR-UHFFFAOYSA-N 312.350 2.419 10 10 DECE CCOC(=O)[C@](CSc1nccs1)(NC)[C@@H]1C[C@@H]1C 2352991516 JNILCFWTELSKBA-OPQQBVKSSA-N 300.449 2.413 10 10 DECE COc1ccccc1C(=O)N1CCN(c2ccc(N)cc2)CC1 8030993 CYCIEBSWWSRMLK-UHFFFAOYSA-N 311.385 2.240 10 10 DECE CN(Cc1cccc(Cl)c1O)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361665041 OXGQERRVRWAFAD-NEPJUHHUSA-N 317.838 2.443 10 10 DECE COC[C@H](O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 127993306 AJFWRCLRZLEWJU-CYBMUJFWSA-N 309.337 2.441 10 10 DECE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 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CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1cc(O)ccc1O 1952137022 YEMHIVBALSDDQT-GXFFZTMASA-N 308.378 2.497 10 10 DECE C[C@H](NCCc1nnnn1C)c1ccc(Cl)c(Cl)c1O 756677629 RIDAUIKYCYDTOM-ZETCQYMHSA-N 316.192 2.116 10 10 DECE CCOC(=O)CN(Cc1coc(C)n1)Cc1ccccc1O 852192880 VOPOIZSRASHGKK-UHFFFAOYSA-N 304.346 2.254 10 10 DECE CC[C@H](C)OCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855234098 SCNMFNVJGZXHRX-UONOGXRCSA-N 306.406 2.205 10 10 DECE CC(=O)c1cc(F)cc(CN2[C@@H](C)[C@@H](C(N)=O)CC[C@H]2C)c1O 930919103 SQJHAFXNIXACHV-BFVZDQMLSA-N 322.380 2.208 10 10 DECE COC(=O)c1cc(OCCOC[C@@H]2CCCO2)ccc1N(C)C 865396285 NUIJBJYVTBEKFE-AWEZNQCLSA-N 323.389 2.114 10 10 DECE O=C(COC(=O)c1cccc2nccnc12)c1ccc(O)c(O)c1 784696010 LZFUNRSCGZCBFQ-UHFFFAOYSA-N 324.292 2.081 10 10 DECE COc1cc(Cl)cc(CN2C[C@H](O)CC(F)(F)C2)c1O 787437791 DALQZTRTQQATJL-SNVBAGLBSA-N 307.724 2.256 10 10 DECE CCOC(=O)CCc1cc(OC)c(O)c([C@H](N)C(F)(F)F)c1 72196117 ZBFGNPGQBLPIRX-ZDUSSCGKSA-N 321.295 2.459 10 10 DECE CN1CCC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 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DECE CCSCc1cc(C(=O)NCc2c(O)cccc2O)no1 1558533857 LVGMVYNILHPFEX-UHFFFAOYSA-N 308.359 2.269 10 10 DECE Cc1ccc(COCC(=O)NCc2c(O)cccc2O)cc1 1647290813 UARVPZSXZMCRSK-UHFFFAOYSA-N 301.342 2.239 10 10 DECE CC(C)CNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1699675734 NQRNWOYAUVEEII-UHFFFAOYSA-N 317.393 2.357 10 10 DECE CCCN1N=C(C)/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O 1865678106 UOLDQJAFOQZVQV-KPKJPENVSA-N 304.346 2.421 10 10 DECE OC[C@@H](CNCc1ccc(Br)cc1O)C1CC1 1942323073 LCLKEDXSMAONLU-LLVKDONJSA-N 300.196 2.263 10 10 DECE Oc1c(F)cc(Br)cc1CNO[C@H]1CCOC1 2017842862 QPWJIXSZRIGCJR-VIFPVBQESA-N 306.131 2.104 10 10 DECE O=C(CSc1ncc(CNC2CC2)s1)N1CCCCC1 2155330003 GGXOGHNDNFNZNG-UHFFFAOYSA-N 311.476 2.500 10 10 DECE CNCc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(Cl)c1 2160768901 XIBXTRWVYLWMDE-LLVKDONJSA-N 318.870 2.319 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](C(F)F)C3)c(Cl)cc21 707145096 BWUGIWZSHKZNJI-KBUNVGBDSA-N 301.724 2.383 10 10 DECE CN1CC[C@H]2CN(c3ccc(CN)cc3Br)C[C@H]2C1 388915637 JJKVZNYDNDISHH-QWHCGFSZSA-N 324.266 2.296 10 10 DECE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)O)cc1Cl 2170322188 AUKGVAPAIJLGBZ-AXFHLTTASA-N 317.838 2.405 10 10 DECE C[C@H]1C[C@H]1N(CCO)c1cc(Br)c(CN)cc1F 2048203322 AIMULNWHJGGMDT-QPUJVOFHSA-N 317.202 2.254 10 10 DECE CNCc1ccc(N2C[C@@H]3CCO[C@H]3C2)c(Br)c1 2051989719 GSZZDQRKKIASEP-FZMZJTMJSA-N 311.223 2.394 10 10 DECE Cn1ncc(C(=O)NCC2(CN=[N+]=[N-])CC2)c1Br 2054026311 MVXQZYPJKPBYCX-UHFFFAOYSA-N 313.159 2.003 10 10 DECE CN(C[C@@H]1OCC[C@H]1F)c1ccc(CN)cc1Br 2058681545 XBFFCOQOOUFKJC-YPMHNXCESA-N 317.202 2.471 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@H]2CNC[C@H]1C2 2067489701 YYJBLPKRXKZNCX-LDYMZIIASA-N 315.186 2.088 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@]3(CO)C2)c(Br)c1 2078143992 SOOXSRWMGDZSRV-BXUZGUMPSA-N 311.223 2.117 10 10 DECE Cn1c(C=C2C(=O)Nc3ccccc32)nc2ccccc2c1=O 2293520671 FZDINVRCALMKGU-UHFFFAOYSA-N 303.321 2.426 10 10 DECE CNC(=O)c1ccc(N)cc1NCc1cnc(SC)s1 2284699526 NWULCKNHSAPUAB-UHFFFAOYSA-N 308.432 2.419 10 10 DECE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1 2313557938 PIUCAECRYSQGDS-UHFFFAOYSA-N 310.284 2.492 10 10 DECE COc1cccc(N(C)C(=O)C=Cc2cnc(N(C)C)nc2)c1 2324676869 LAWPKNKCYVUNCR-UHFFFAOYSA-N 312.373 2.227 10 10 DECE CC[C@@H](NCc1ccc(C)c(Br)c1O)C(=O)O 2307568388 CVLDUVGJXGWPHH-SECBINFHSA-N 302.168 2.416 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311888196 FLOABHJALGYGCP-KMUQISDUSA-N 311.223 2.286 10 10 DECE Cc1ccc(CN2C[C@@H](C)[C@H](CN)C2)c(O)c1Br 2327619901 YPOKSEFXJFXWPA-ZYHUDNBSSA-N 313.239 2.490 10 10 DECE Cc1cc(N(C)C)ccc1Cn1c(=O)[nH]c2ccccc2c1=O 115731393 FXIKBNYNWMYKDF-UHFFFAOYSA-N 309.369 2.113 10 10 DECE C[C@@H](NCC1(CCO)CC1)c1ccc(N2CCOCC2)cc1 188074228 XTCSIQRNLDCGHQ-OAHLLOKOSA-N 304.434 2.336 10 10 DECE COc1ccccc1/C=C1/SC(=S)N(CCCO)C1=O 210384582 LHRXWXBDXGLGAR-FMIVXFBMSA-N 309.412 2.279 10 10 DECE CCN[C@](CSc1nccs1)(C(=O)OC)C(C)(C)OC 2366306618 JUZAVJNXIOWIRM-CYBMUJFWSA-N 318.464 2.182 10 10 DECE CCN(CC)c1ccc(CN2CCN(CCO)[C@@H](C)C2)cc1F 250063994 NHJJVJQWQDHKLE-HNNXBMFYSA-N 323.456 2.170 10 10 DECE Cc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)o1 358570152 YQESDAYCDXNDLG-UHFFFAOYSA-N 322.386 2.242 10 10 DECE CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(N(C)C)cc1 364326147 FPKZBYMBMGLDQA-IRXDYDNUSA-N 320.433 2.295 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCN(C)[C@@H](C)C2)c1O 278299576 VPCKMIFEARCENU-AAEUAGOBSA-N 323.393 2.224 10 10 DECE CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC2CC2)cc1 283929874 HKAOBUKOJPIJQV-UHFFFAOYSA-N 317.433 2.017 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC(=O)N1C 282678084 IDQPNNWOUWJHAV-QMMMGPOBSA-N 303.189 2.362 10 10 DECE COc1cc(C2(C(=O)OCC(=O)C(C)=O)CCC2)ccc1C 808512650 QFRIQROTNFMZAL-UHFFFAOYSA-N 304.342 2.127 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Br)c1 808529521 GLOULQPGFUCPBW-UHFFFAOYSA-N 319.538 2.417 10 10 DECE CNC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 817415826 ZYXVJELLZNUAQD-MRXNPFEDSA-N 301.434 2.245 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C 823524412 UKDWPQNFIYZADQ-KBPBESRZSA-N 317.433 2.198 10 10 DECE CN(C)CCC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 827855654 GDVDJAKSLHAYIY-MRXNPFEDSA-N 323.456 2.434 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)nc2Cl)c1 825737009 PLQRIJOPOLLDSK-MRVPVSSYSA-N 309.753 2.279 10 10 DECE C[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C[C@H](C)C1 903630776 DPIXTSXJMNCLTE-GHMZBOCLSA-N 318.377 2.001 10 10 DECE COC(=O)COc1ccc(N(C)CC2C[C@@H]3CC[C@H](C2)N3)cc1 903914592 JMIRNVHNDPJGBA-GOOCMWNKSA-N 318.417 2.205 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1F 901943239 JVQLLJFWRNKYQO-CHWSQXEVSA-N 322.380 2.399 10 10 DECE C[C@@H](CC(=O)N(CC(=O)O)Cc1ccccc1O)n1cccc1 911487859 XJPQYMRCWOXBJR-ZDUSSCGKSA-N 316.357 2.258 10 10 DECE C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc(F)cc(F)c1O 848572806 VYPYPIUOSHSVJN-GZMMTYOYSA-N 312.316 2.304 10 10 DECE O=C(NCC[C@@H]1CCNC1)NCc1c(O)ccc2c1CCCC2 841935189 GHWWVRZNOAZVDR-ZDUSSCGKSA-N 317.433 2.070 10 10 DECE CCc1nc([C@H](C)N2CCOc3cc(N(C)C)ccc32)n[nH]1 851881802 PRAHSZASUHEDPZ-NSHDSACASA-N 301.394 2.393 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCC(c2ccon2)CC1 857333302 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305.296 2.208 10 10 DECE CCNC(=O)CN(C)[C@@H](C)c1cc(Br)ccc1O 133181366 XZMKNBSUFPDJNI-VIFPVBQESA-N 315.211 2.284 10 10 DECE CCN1CCN([C@H]2CCN(Cc3cc(Cl)ccc3O)C2)CC1 93132941 LWTXYDWYMFCWHL-INIZCTEOSA-N 323.868 2.257 10 10 DECE Oc1c(Br)cccc1CN1CCN2CCC[C@H]2C1 245871989 GZEWXLZBZPGVHJ-LBPRGKRZSA-N 311.223 2.435 10 10 DECE C[C@@H]1COCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 277634560 XZUJREICZAJHNI-MLGOLLRUSA-N 318.417 2.495 10 10 DECE CN(Cc1cc(Cl)n(C)n1)c1ccc(CN)c(F)c1F 2166520469 ZYIRWZBEKBRUKH-UHFFFAOYSA-N 300.740 2.447 10 10 DECE Cc1csc(C)c1S(=O)(=O)NCc1cc(N)ccc1O 725098372 IWNANZXJIVSTPA-UHFFFAOYSA-N 312.416 2.131 10 10 DECE CCN1CCC(CNC(=O)NCc2c(O)cccc2F)CC1 916032183 KOFCEAZYSHEFJX-UHFFFAOYSA-N 309.385 2.062 10 10 DECE Cc1cc(O)c(CNC[C@@H]2CCCS2(=O)=O)c(Cl)c1 840910191 WVOHOQRLXOLLFJ-JTQLQIEISA-N 303.811 2.021 10 10 DECE CO[C@](C)(CO)CN[C@H](C)c1cc(Br)ccc1O 848558074 JOZAHFJXEZQQGY-RNCFNFMXSA-N 318.211 2.203 10 10 DECE CC(C)(C)OC(=O)N1CCCN[C@@H](c2ccc(O)c(O)c2O)C1 1952157921 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C[C@@H](N)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)cc1Br 2030274597 GDSUSXCEUPJWLE-ZHAHWJHGSA-N 311.223 2.143 10 10 DECE CCCNC(=O)CN(C)Cc1ccc(Br)cc1O 691781222 TYLJISJOJPUZLL-UHFFFAOYSA-N 315.211 2.113 10 10 DECE NCc1cc(F)c(N2C[C@H]3C[C@H]2CO3)cc1Br 387062114 LKUSLFOEAQATDK-DTWKUNHWSA-N 301.159 2.024 10 10 DECE CN1[C@H]2CC[C@H]1CN(c1ccc(CN)cc1Br)C2 723929247 DXKJLYBSAHHYPB-RYUDHWBXSA-N 310.239 2.191 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc(CNC)c(Cl)c1 2170153947 UWPWNCABSBEYQE-UHFFFAOYSA-N 318.870 2.320 10 10 DECE Cc1cc(O)nc(CNCc2c(O)cccc2Br)n1 2106912985 IVHRWCVBOFXCEN-UHFFFAOYSA-N 324.178 2.249 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC=C(Br)CC3)ccc21 2092389299 YYKZDELWZWICIN-CYBMUJFWSA-N 322.206 2.388 10 10 DECE Cn1nc(Br)c(Cn2ccc3cc(N)ccc32)n1 2219815467 QOCWSWWGZUJYLX-UHFFFAOYSA-N 306.167 2.163 10 10 DECE CN(Cc1nncs1)c1ccc(CN)cc1Br 2247582689 BAHZJLAYYBYESY-UHFFFAOYSA-N 313.224 2.396 10 10 DECE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1c(O)cccc1Cl 2279353583 NVHKLCAKRVNAPD-QWRGUYRKSA-N 317.838 2.443 10 10 DECE 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315.417 2.380 10 10 DECE CCOc1ccc(O)c(CN2CCS[C@H]3COCC[C@H]32)c1 247273722 YFQUYWQZROOXJP-ZBFHGGJFSA-N 309.431 2.497 10 10 DECE CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 292045344 VPZMIFRODZGPCE-OAHLLOKOSA-N 303.406 2.217 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)C[C@H]2C[C@@H]2C(F)(F)F)CC1 2164680597 YICUUDCGICCCDG-APPZFPTMSA-N 312.317 2.289 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NCCCC2(C)C)c1 817996639 LBNQYYKRYUPJEN-XHDPSFHLSA-N 306.406 2.356 10 10 DECE CCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 813051930 VZXQMWAOONKPOI-MRXNPFEDSA-N 317.433 2.389 10 10 DECE Cc1ncoc1C(=O)N1CCOc2ccc(N(C)C)cc2C1 575541612 QJTLEKZVXWKMJW-UHFFFAOYSA-N 301.346 2.084 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCOC[C@@H]2OC)c1 825737167 UPLZRXSXUWFNLG-MKBNYLNASA-N 323.389 2.020 10 10 DECE [N-]=[N+]=NCCCNC(=O)CCNC(=O)OCc1ccccc1 1963697810 FIHYEOMCCHIHFF-UHFFFAOYSA-N 305.338 2.120 10 10 DECE C[C@H]1C[C@@H](S(=O)(=O)NCc2cc(Cl)ccc2O)CCO1 845996295 NYUZXPZUIFUXSX-CABZTGNLSA-N 319.810 2.033 10 10 DECE 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O=C(NCc1c(O)cccc1O)c1ccn(-c2ccccc2)n1 1652626518 XCRNWIRRNXPQOU-UHFFFAOYSA-N 309.325 2.214 10 10 DECE CN(C[C@@H](O)COc1ccc(N)cc1)OCc1ccccc1 1928708445 RPLRGWWZRNDACT-MRXNPFEDSA-N 302.374 2.072 10 10 DECE OC[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC[C@@H]1O 1899871551 XWHOHDBRLRMJDJ-LPHOPBHVSA-N 313.397 2.445 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)C[C@H]2C)c1O 1970347107 PCUATOMIUHHSFS-GSDQLPOLSA-N 315.822 2.201 10 10 DECE Oc1ccc(Br)cc1CNCc1cnsn1 1979640445 WMWUORGRIFOXKL-UHFFFAOYSA-N 300.181 2.296 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1985102492 HVEQICOULGSESH-ABAIWWIYSA-N 323.397 2.402 10 10 DECE CN(Cc1ccc(Cl)cc1O)[C@H]1CCCS(=O)(=O)CC1 2146316163 KPLXDMGQWNVZLT-ZDUSSCGKSA-N 317.838 2.445 10 10 DECE CO[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1F 2146469902 OKNHKVSFKNGAOD-STQMWFEESA-N 301.745 2.417 10 10 DECE CCNCc1ccc(N2CC(CCO)C2)c(Br)c1 2034862904 LAHYJKUNKXQOJO-UHFFFAOYSA-N 313.239 2.377 10 10 DECE OCc1ccc(N2CC(F)(F)C[C@H]2CO)cc1Br 2041127795 QXHIHKFJTXDPJL-JTQLQIEISA-N 322.149 2.148 10 10 DECE O=C(O)C[C@@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2160865811 VLWUKBFXGRFJNZ-ZDUSSCGKSA-N 320.172 2.111 10 10 DECE Cn1cnc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1Cl 693946148 HFQHIHSHZLOJIK-UHFFFAOYSA-N 322.173 2.233 10 10 DECE CCCC(=O)NCCNCc1cc(Br)ccc1O 393046529 KTRQKJDTGXGGKQ-UHFFFAOYSA-N 315.211 2.161 10 10 DECE CCS(=O)(=O)CCN(C)c1ccc([C@H](C)NC)cc1Cl 2170441431 QIQZGOIKCTXBFY-NSHDSACASA-N 318.870 2.491 10 10 DECE Oc1ccc(Br)cc1CN[C@@]12COC[C@H]1C2(F)F 2043607089 VUXZZUUCBQDWOF-MNOVXSKESA-N 320.133 2.278 10 10 DECE C[C@@H](N)c1ccc(N2CCN(C)[C@@H]3C[C@@H]32)c(Br)c1 2049380025 MXFHBIVGOFNZIS-FZQKWOKYSA-N 310.239 2.362 10 10 DECE OCc1ccc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c(Br)c1 2065396162 COYSXKHVSYAFQO-GDNZZTSVSA-N 312.207 2.149 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2219160810 WHLMGGDSCBCZAV-NGZCFLSTSA-N 317.202 2.378 10 10 DECE COc1ccc(N2C[C@H](O)C[C@@H]2C)c(OC)c1Br 2219390861 AMWNLZSGEUSRPW-DTWKUNHWSA-N 316.195 2.426 10 10 DECE CSc1ncc(CN2CCOC3(CCC3)[C@H]2C(=O)O)s1 2284536041 HGBPQFLUIAWAOR-SNVBAGLBSA-N 314.432 2.073 10 10 DECE CCn1nc(Br)nc1[C@H](NC)c1ccccc1O 2328454432 GSBNDWWEZNVUNW-SNVBAGLBSA-N 311.183 2.075 10 10 DECE Cc1ccc(CNC(=O)c2ccnnc2)c(O)c1Br 2352626642 MTGLBDOQYNLTQJ-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CSC[C@@H](C)N(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 123683498 HKOOLRRCMWKLEE-LLVKDONJSA-N 304.419 2.278 10 10 DECE NC(=O)CSc1ccccc1NCc1ccc(O)c(O)c1 37071845 ZEEMLMGQRYLCAB-UHFFFAOYSA-N 304.371 2.287 10 10 DECE CN1CCCC[C@H]1CN1CCN(Cc2cc(F)ccc2O)CC1 180088525 ACAIZRFHNCIMAR-KRWDZBQOSA-N 321.440 2.133 10 10 DECE COC(C)(C)[C@](CSc1nccs1)(NC(C)C)C(=O)O 2366314237 QGJXKDWEJRBQKT-CYBMUJFWSA-N 318.464 2.482 10 10 DECE O=C(c1cccc(O)c1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 193133319 YYQGSPCHBDEITK-SMDDNHRTSA-N 317.341 2.419 10 10 DECE O=C1CSC(=S)N1NC(=S)Nc1ccc(Cl)cc1 197742831 KMCDEFLAAWXRGC-UHFFFAOYSA-N 317.848 2.402 10 10 DECE N#Cc1cc(C(=O)NCCCSc2nccs2)ccn1 193247992 CDCSOQSCXUVCHJ-UHFFFAOYSA-N 304.400 2.322 10 10 DECE CNCc1ccc(N(CCO)C(C)C)cc1Br 234410635 OTDPNUZMILIDFZ-UHFFFAOYSA-N 301.228 2.376 10 10 DECE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)CCc1ccccc1 243597553 OTILXCBQUVCILV-UHFFFAOYSA-N 318.398 2.194 10 10 DECE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 808499754 LOOOLXZUUKHYBE-UHFFFAOYSA-N 320.732 2.149 10 10 DECE CC1(C)NC(=O)CC[C@@H]1NCc1ccc(N2CCCC2)cc1 801733646 UFZCQZHDOCMXBH-INIZCTEOSA-N 301.434 2.434 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC[C@H](O)CC23CCC3)cc1 817389920 GWHFVNWKFHCJNF-INIZCTEOSA-N 317.433 2.342 10 10 DECE CN(C)c1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 825124123 IDDOQIPOUWWFNE-JSGCOSHPSA-N 302.340 2.498 10 10 DECE CN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCN2CCO[C@H]1C2 824501988 VYBKUYWHMBNIBH-JSGCOSHPSA-N 314.788 2.090 10 10 DECE CSC[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 905458986 OWRRWLWXESFDFD-QMMMGPOBSA-N 320.201 2.363 10 10 DECE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CC2(CC2)c2ccccc21 662469912 MGYLSUOOFGOHQN-GFCCVEGCSA-N 308.385 2.179 10 10 DECE CNC(=O)[C@]1(C)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835053132 STEXDGUQPKGGKF-OOFWQKGWSA-N 301.434 2.224 10 10 DECE C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 915367400 ZGZQOOPXERYOHU-LBPRGKRZSA-N 309.385 2.212 10 10 DECE COc1ccc(N2CCCN(CCc3cncn3C)CC2)cc1 838799875 YWFVDWJBHWSPBT-UHFFFAOYSA-N 314.433 2.184 10 10 DECE CO[C@](C)(CO)CN[C@@H](C)c1ccc(Br)cc1O 848559306 RYAKVEBQGPIFGZ-ZANVPECISA-N 318.211 2.203 10 10 DECE CC(C)CCNC(=O)[C@H](C)N1CCCc2cc(CN)ccc21 843349506 BQEPGLBWBDBEDQ-AWEZNQCLSA-N 303.450 2.449 10 10 DECE CCn1nc(C)c(CC(=O)NCc2c(O)cccc2F)c1C 928706253 PVEJGAZINGLNFY-UHFFFAOYSA-N 305.353 2.223 10 10 DECE CCNC(=O)N1CC[C@H](N[C@H](C)c2cc(F)cc(F)c2O)C1 756760338 NSZSVPYCQOXZGV-KOLCDFICSA-N 313.348 2.125 10 10 DECE CN(C)c1ccc(CN[C@H]2Cc3ccccc3N(C)C2=O)cc1 850353091 SFDKACPECICRTA-KRWDZBQOSA-N 309.413 2.430 10 10 DECE CC(C)c1noc(CCCNC(=O)NCc2ccccc2O)n1 750323882 ZKDZEKMJTKEURW-UHFFFAOYSA-N 318.377 2.331 10 10 DECE Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccccc1 785774755 IVMUYYXWNHJEJH-UHFFFAOYSA-N 313.353 2.466 10 10 DECE C[C@@H](NC(=O)N1CC(C)(F)C1)c1ccc(N2CCOCC2)cc1 792050605 IKCBQPBBLIXFOL-CYBMUJFWSA-N 321.396 2.338 10 10 DECE CC(C)N1CC2(CCNCC2)Nc2cc3c(cc21)OCCO3 76934434 CUZWLEMLYXXLAN-UHFFFAOYSA-N 303.406 2.220 10 10 DECE CN1C[C@H](NCc2cc(Cl)cc(Cl)c2O)CCC1=O 77900108 JPTLZMUSXKMNGV-SNVBAGLBSA-N 303.189 2.409 10 10 DECE C[C@H](CO)CN(C)c1cc(Br)c(CN)cc1F 708485519 NTEXKJMTARWRMI-QMMMGPOBSA-N 305.191 2.112 10 10 DECE CC(C)(O)C1CCC(C(=O)NCc2c(O)cccc2O)CC1 1156886336 ZBCQHOVHGYBFLX-UHFFFAOYSA-N 307.390 2.291 10 10 DECE C[C@@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)O1 1162061424 YXPPEWNLNPKAJR-CKYFFXLPSA-N 304.350 2.392 10 10 DECE O=C(N1Cc2cccc(O)c2C1)[C@]1([C@@H]2CCCCO2)CCCO1 1347888880 HHOKAJJXXSZZTR-FUHWJXTLSA-N 317.385 2.353 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H](CCCO)c1ccccc1 1352669807 LKNHFLWHMPTSRL-HNNXBMFYSA-N 315.369 2.270 10 10 DECE Cc1c(CNC(=O)Cc2ccc(O)c(O)c2)cccc1[N+](=O)[O-] 1296421143 RMUPJZVJPJLDJT-UHFFFAOYSA-N 316.313 2.173 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(F)c1N 1296246991 QCDIQTATSZVZCA-MRVPVSSYSA-N 322.311 2.319 10 10 DECE Cn1cc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)cn1 1460957624 TWSFEFLPCPRXOB-GORDUTHDSA-N 305.284 2.137 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@H]4C[C@H]43)c(Br)cc21 1916911591 KAKCFSSGJRDJTM-QUUYKZCZSA-N 322.206 2.390 10 10 DECE CN1CC[C@H](C(=O)NCc2cc(O)ccc2O)c2ccccc21 1558174953 DVJBWASVCKLMEG-HNNXBMFYSA-N 312.369 2.338 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccnc(Br)c1 1557084483 AVZBTEGRLSOZEX-UHFFFAOYSA-N 323.146 2.185 10 10 DECE CC(C)[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCOCC2 1630016839 BCSDHKUWXGNTPI-KRWDZBQOSA-N 319.401 2.304 10 10 DECE CC[C@@H](COC)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 150972030 GYSKGQXRCLTECY-FSNWXROXSA-N 318.417 2.078 10 10 DECE COCCNCc1ccc(N2CCCC[C@H]2CO)c(Cl)c1 163970620 XENUBQWXHVOAGU-AWEZNQCLSA-N 312.841 2.427 10 10 DECE COCCNCc1ccc(N(C)C(C)(C)CO)c(Cl)c1 126848318 NHVLPUAYUHDGPT-UHFFFAOYSA-N 300.830 2.283 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Cl 2143670818 GDHSJXCGHPXLPD-GHMZBOCLSA-N 317.838 2.264 10 10 DECE CC(C)N(C)S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 1970801651 HDLDBPTZPDRWDN-UHFFFAOYSA-N 312.313 2.408 10 10 DECE CC1(C)C[C@@H](NCc2c(O)cccc2Cl)CCS1(=O)=O 2144175419 YRFGWHYPFCWGDD-JTQLQIEISA-N 317.838 2.491 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@]1(C)C2 1985095133 ZIEXWIXNUVZCHN-GJZGRUSLSA-N 323.397 2.402 10 10 DECE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](C(=O)NCCN=[N+]=[N-])[C@@H]21 1985093798 FSOGKEFCPGDQKY-IJLUTSLNSA-N 323.397 2.449 10 10 DECE Cc1ccc(O)c([C@H](C)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1 1985775045 BXJDQPRPPOZNFE-QWHCGFSZSA-N 324.421 2.237 10 10 DECE C[C@H]1OCCO[C@H]1CNCc1cccc(Br)c1O 2027192685 LYXRLTVNQFJERJ-SKDRFNHKSA-N 316.195 2.048 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@H]2NCC[C@H]2C1 706872111 YTFKUTZHKGNNAJ-GWCFXTLKSA-N 311.223 2.339 10 10 DECE COc1cc(Cl)cc(CN(CCN)CC(F)(F)F)c1O 713345659 ZDFOTCDAIIVMII-UHFFFAOYSA-N 312.719 2.377 10 10 DECE O=C(O)c1coc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 694233840 WUZKMGGKKVXOCL-UHFFFAOYSA-N 317.706 2.138 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](C)C4(CCC4)C3)c2n1 2062398865 WQSKPYYEBIDTHN-LLVKDONJSA-N 314.389 2.396 10 10 DECE CN(Cc1ccc(N)cc1)Cc1cc(Br)n(C)n1 2049244396 GOEKORXEHQVQQK-UHFFFAOYSA-N 309.211 2.397 10 10 DECE Cc1ccc(OCc2c(C)nn(C)c2Br)c(N)n1 2065921758 MVCAMISQPJZWGH-UHFFFAOYSA-N 311.183 2.356 10 10 DECE O=C(O)[C@]12C[C@H](CN1Cc1ccc(Br)cc1O)C2 2072405468 GMWOUOLFJSNCRV-KTLJEJPDSA-N 312.163 2.204 10 10 DECE C[C@@H](N)c1ccc(N(C)CCn2cncn2)c(Br)c1 2113773394 BIHDFXPRPHOSFB-SNVBAGLBSA-N 324.226 2.197 10 10 DECE CS(=O)(=O)C1CC(CN2CCCC[C@H](CN=[N+]=[N-])C2)C1 2285348689 YEAXKOZFOWOVEQ-PNESKVBLSA-N 300.428 2.222 10 10 DECE COc1ccc(Br)c(CN(C)C[C@@H]2CCO2)c1O 2318630330 WOIFJLQQFZATAA-VIFPVBQESA-N 316.195 2.384 10 10 DECE C[C@@H](CCNCc1cc(Br)ccc1O)[S@](C)=O 133592663 BDSCKVJDVSQFEO-HUTHGQBESA-N 320.252 2.401 10 10 DECE CN1C(=O)/C(=C/c2cn(Cc3cccnc3)nn2)c2ccccc21 181395153 MWGNYYVUDOQXPX-CXUHLZMHSA-N 317.352 2.238 10 10 DECE CN(CC(C)(C)C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2361877624 VKCMSMJXZDVQPX-UHFFFAOYSA-N 306.378 2.322 10 10 DECE CC(C)(C)OC(=O)NC[C@H](CC(=O)O)c1cccc(O)c1O 1951418761 JWOUCPHPNOHVFB-VIFPVBQESA-N 311.334 2.181 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@@H]2CO)c(Br)c1 234375802 IORVHOBRADRISN-HZMBPMFUSA-N 313.239 2.376 10 10 DECE C[C@@H](CN(C)Cc1cc(Br)ccc1O)C(=O)O 235089068 YWEDQHULRAVSCS-QMMMGPOBSA-N 302.168 2.307 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)[C@H]3CCOC3)c(Cl)cc21 250644264 NPQLNPQKMUGPFM-LKFCYVNXSA-N 309.797 2.168 10 10 DECE O=C1CCCN1CCCNCc1cc(Cl)c(F)cc1O 294305381 QFDDJKWEOUFZTO-UHFFFAOYSA-N 300.761 2.287 10 10 DECE CC(=O)C(=O)COC(=O)c1cnn(-c2cc(C)ccc2C)c1C 808529464 IUJYZGZNQUQLSC-UHFFFAOYSA-N 314.341 2.112 10 10 DECE COCCN(C)CCCNCc1cc(Cl)c(F)cc1O 293821078 DGKWFZRBFZTGGR-UHFFFAOYSA-N 304.793 2.243 10 10 DECE COc1ccc(O[C@H](C)C(=O)NCc2ccccc2O)cc1 748346655 RHOGUNIPAYILHQ-GFCCVEGCSA-N 301.342 2.485 10 10 DECE C[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1O 850560483 FJLFRWFYKGEYJG-UONOGXRCSA-N 303.406 2.333 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3C3CC3)C2)cc1 852299940 AKYTUXUZOCDLKS-RRQGHBQHSA-N 315.417 2.372 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)C2)cc1 852447881 GBXWNAIZTLGTIS-XGUBFFRZSA-N 315.417 2.372 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 858911960 QTDDKGAMYVFKRW-KNHMANMVSA-N 320.389 2.329 10 10 DECE CCOC(=O)C1=CC[C@@H](NCc2cc(OC)c(OC)cc2O)C1 862488997 WQGTUAPTDQGPRL-CYBMUJFWSA-N 321.373 2.151 10 10 DECE COc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1 867301651 DAYIGVXVUKZILD-VIFPVBQESA-N 320.320 2.002 10 10 DECE COCCn1ccc(NC(=O)NCc2cccc(Cl)c2O)n1 930111655 YQUNAYZMIUILQJ-UHFFFAOYSA-N 324.768 2.210 10 10 DECE CCOc1cccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 867690826 NSTXMTSBUVZVPQ-UHFFFAOYSA-N 319.382 2.495 10 10 DECE Cc1ccc(OCCNC(=O)Cc2ccc(O)c(O)c2)cc1 1136121916 CZTVEFSIHIFGET-UHFFFAOYSA-N 301.342 2.144 10 10 DECE CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]2CCO[C@H]21 1147503934 CEYUUWZRGUIJRI-JHJVBQTASA-N 316.361 2.392 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccnc(OC(F)F)c1 1303194478 CSTCXDFSUPHIBB-UHFFFAOYSA-N 310.256 2.024 10 10 DECE C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1O 1171730128 LACDXALRDHLTEG-VIFPVBQESA-N 302.286 2.497 10 10 DECE CCN1N=C(C(F)(F)F)/C(=C/c2ccc(O)cc2O)C1=O 1865654024 FLOSYAKDJTXGAH-UITAMQMPSA-N 300.236 2.262 10 10 DECE CCCN[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1282242721 SQSBNVFGVWMWMW-MNOVXSKESA-N 305.382 2.355 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1CC1=CCCOC1 1511774801 FKJAKDVUQRKPHU-UHFFFAOYSA-N 314.389 2.275 10 10 DECE COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)n1 1622664114 HKXDVBIPFHGBJN-UHFFFAOYSA-N 308.721 2.085 10 10 DECE CN1CCC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1626112001 VLJVBXSXZHBDLV-LBPRGKRZSA-N 317.393 2.311 10 10 DECE NCc1ccc(N2[C@H]3CC[C@H]2CC(O)C3)cc1Br 228152977 RKEMNHWHBGLNEE-QWRGUYRKSA-N 311.223 2.400 10 10 DECE Cc1noc(C(F)(F)F)c1C(=O)NCc1c(O)cccc1O 1635843567 XGXKKSNFPHVALK-UHFFFAOYSA-N 316.235 2.343 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](N)c1ccccc1O 1959918778 VGQIWRSOFDPGKM-YUTCNCBUSA-N 310.394 2.056 10 10 DECE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CC[C@H]1OCc1ccccc1 1934874717 OLMVZGLTMCJXKP-HIFRSBDPSA-N 304.350 2.479 10 10 DECE COc1ccc(NC(=O)CNCc2cc(C)ccc2O)cc1 1857857723 MUTXVRKZFOFMAC-UHFFFAOYSA-N 300.358 2.438 10 10 DECE CO[C@@H](C(=O)O)C1CN(Cc2cc(Cl)cc(Cl)c2O)C1 1875987875 HGKJBRVZKGYAJT-GFCCVEGCSA-N 320.172 2.230 10 10 DECE C[C@@H](O)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2005097087 XJLLUPSMFBLTIQ-MRVPVSSYSA-N 304.159 2.023 10 10 DECE COc1cc(N)c(N2CCC(C3(C)OCCO3)CC2)cc1OC 2145809697 OIQVJIWPNZNKHL-UHFFFAOYSA-N 322.405 2.265 10 10 DECE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1985048219 FMZMGTOQGVDEDB-GTNSWQLSSA-N 320.389 2.312 10 10 DECE CC[C@H](NC[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1985775698 LQUAYKNCUOMLHV-OCCSQVGLSA-N 324.421 2.319 10 10 DECE Nc1ccc(CS(=O)(=O)NCC2CCC(F)CC2)cc1 2149473679 VYSZYMNHMYKORV-UHFFFAOYSA-N 300.399 2.217 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151271155 BYPDEJWNJSORIK-CHIMOYNISA-N 315.822 2.017 10 10 DECE Cc1cc(NS(=O)(=O)c2ccsc2CO)c(C)cc1O 2157799419 MIVWTUXKAJWKKF-UHFFFAOYSA-N 313.400 2.364 10 10 DECE Oc1cccc(Br)c1CN1CC[C@H]2NCC[C@@H]2C1 706872122 YTFKUTZHKGNNAJ-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE CNCc1ccc(N(C)CC[S@@](C)=O)cc1C(F)(F)F 399100493 SCRCNSUEVHTAOQ-HXUWFJFHSA-N 308.369 2.240 10 10 DECE CCc1cc(C(=O)NC2CC2)n(Cc2cc(F)ccc2O)n1 2070097293 MVAMBLCQISDLDJ-UHFFFAOYSA-N 303.337 2.231 10 10 DECE CN[C@H](c1ccccc1O)[C@]1(O)CS[C@H](C(F)(F)F)C1 2189224678 MMZGYWYBTNPAAL-QJPTWQEYSA-N 307.337 2.452 10 10 DECE OCc1ccc(N2CC[C@@H](O)CC23CC3)c(Br)c1 2050641841 NVLATKZWECCWDI-LLVKDONJSA-N 312.207 2.435 10 10 DECE Cn1ncc(CNCCc2ccc(N)cc2)c1Br 2052922522 XIMOTQAHIQUTNL-UHFFFAOYSA-N 309.211 2.097 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2CN3C)cc1Br 2067389664 YZEUOXCZEGDXAM-DLOVCJGASA-N 310.239 2.362 10 10 DECE CC1([C@@H]2CCCN(CCOc3ccc(N)cc3)C2)OCCO1 2089603478 VAFXRIWBPUKEAX-CQSZACIVSA-N 306.406 2.123 10 10 DECE COc1ccc(Br)c(CN(C)[C@H](C)C(=O)O)c1O 2220448752 IWTSVOXLPQUCBZ-SSDOTTSWSA-N 318.167 2.068 10 10 DECE CC[C@@H](C)[C@@H](NCc1cccc(Br)c1O)C(N)=O 2264226370 WLTONCLLKYYSHN-LDYMZIIASA-N 315.211 2.144 10 10 DECE CC(C)CCN1C(=O)C(=CN2CCOCC2)SC1=S 2296535514 OIYHSVQHMVUDBJ-UHFFFAOYSA-N 300.449 2.066 10 10 DECE CC[C@@H](Oc1cccc(C=C2SC(=S)NC2=O)c1)C(=O)O 2294871907 FCKYRPJXVFIYEG-SNVBAGLBSA-N 323.395 2.417 10 10 DECE Cc1nccn1C[C@@H](C)CNC(=O)C=Cc1ccc(O)c(O)c1 2307996796 VGVMWORMQMPNGG-LBPRGKRZSA-N 315.373 2.068 10 10 DECE CN=c1cc(NCc2ccc(C)c(Br)c2O)cn[nH]1 2352636783 NBBSORACJBXZCR-UHFFFAOYSA-N 323.194 2.329 10 10 DECE CN(c1ccccc1N)S(=O)(=O)c1cccc2nsnc12 50014810 BQYHLNZTERUTEP-UHFFFAOYSA-N 320.399 2.099 10 10 DECE COc1ccc(CN2CCCN(CC(F)(F)F)CC2)c(O)c1 129501407 KLHWIJPFJAZVBB-UHFFFAOYSA-N 318.339 2.471 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCC2)cc1 182385475 NYNFUZJIGUOWQL-DLBZAZTESA-N 322.474 2.342 10 10 DECE C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(F)c(F)c1O 187725466 JYJLWRHBTLUYRW-HZMBPMFUSA-N 324.375 2.357 10 10 DECE CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 182498337 FJEMMPKBTCANPM-OCCSQVGLSA-N 306.406 2.209 10 10 DECE O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[C@H](O)c1ccco1 193133285 YYQGSPCHBDEITK-RISCZKNCSA-N 317.341 2.419 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1cccc2ccccc12 808542830 JBLYHSBIHDVQON-LBPRGKRZSA-N 300.310 2.308 10 10 DECE C[C@H](NC1CCC(N2CCNCC2)CC1)c1ccc(F)cc1O 817982042 BFKJYBHKAGWUJZ-JEYLPNPQSA-N 321.440 2.398 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 725373924 FSVCROFTAUVNHD-UHFFFAOYSA-N 307.331 2.002 10 10 DECE Oc1cc(F)c(Cl)cc1CN1CC[C@H](Cn2ccnn2)C1 826853502 VSDKBPHRUJTRAC-JTQLQIEISA-N 310.760 2.298 10 10 DECE CN1C[C@@H]2[C@H](CCN2Cc2ccc(Br)cc2O)C1 825967137 FHUAFARIBVTKSL-ZWNOBZJWSA-N 311.223 2.291 10 10 DECE CN(C)c1ccc(/C=C\CN[C@@H](C(=O)O)C2CCOCC2)cc1 901824085 VDGJOZQHRAQONA-CWIOURORSA-N 318.417 2.235 10 10 DECE CC[C@@H](CO)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840916222 IFNDWFXKXCUSSI-ZDUSSCGKSA-N 312.841 2.243 10 10 DECE CCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1 843053357 XSXJRFAPYUAAGF-GOSISDBHSA-N 303.450 2.097 10 10 DECE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(N)cc2)C1 841295913 JNKXQGSJDODZSL-RYUDHWBXSA-N 320.393 2.257 10 10 DECE Nc1ccc(CCNC(=O)Nc2cnc(CC3CC3)nc2)cc1 841234531 ITUSSCDNEDVNBN-UHFFFAOYSA-N 311.389 2.376 10 10 DECE Cc1ccc(O)c([C@@H](C)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 927042383 YILLTGCUFFSBMA-RLAWYHOSSA-N 309.431 2.459 10 10 DECE NC(=O)[C@H]1CC[C@H](CNCc2ccc3c(c2)CCCO3)CC1 922191544 GZASRVSXFAEHNX-CTYIDZIISA-N 302.418 2.393 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cncc(F)c3)C2)cc1 855233804 MZDBSJGYIWWWSI-AWEZNQCLSA-N 315.348 2.238 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NC3CC=CC3)C2)cc1 852202715 KONMTYLCJWUHLJ-AWEZNQCLSA-N 301.390 2.292 10 10 DECE CCS(=O)(=O)C1(CN[C@@H](C)c2cccc(OC)c2O)CC1 850559103 XIJPMMUULKBMDQ-NSHDSACASA-N 313.419 2.019 10 10 DECE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 864984637 YHZRSQSWMBOVOJ-RNJTYBCJSA-N 314.429 2.432 10 10 DECE COc1ccc(N2CCCN(C(=O)CC3CSC3)CC2)cc1 864948830 BNSAGDLOHANALT-UHFFFAOYSA-N 320.458 2.487 10 10 DECE CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)C(C)C 863948645 ILBDWPQPJSOLLL-CHWSQXEVSA-N 306.366 2.374 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NCCN=[N+]=[N-])C1 1957248068 AJFJMDXHAWDSPE-LADRHHBVSA-N 317.415 2.404 10 10 DECE Cc1cc(Br)c(O)c(CN2CCn3cnnc3C2)c1 781913639 UPUZUXSFBZWPBR-UHFFFAOYSA-N 323.194 2.070 10 10 DECE CON1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 898000992 DXTIVVPKPVYPEF-UHFFFAOYSA-N 322.386 2.068 10 10 DECE CC(C)N(CCS(C)(=O)=O)Cc1ccc(Cl)cc1O 1461909582 YRNPFJYKSONWJX-UHFFFAOYSA-N 305.827 2.301 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)CCCC(F)(F)F 692823279 LFBSMJZJTCFOPF-QMMMGPOBSA-N 300.306 2.433 10 10 DECE OCCC1(NCc2ccc(N3CCCC3)cc2)CCOCC1 1327764763 AENKAUVEOFUTAN-UHFFFAOYSA-N 304.434 2.308 10 10 DECE CCOC(=O)[C@@]1(C)CN(Cc2ccc(N(C)CC)cc2)CCO1 1197114444 HCQRQWBSDLHMAP-GOSISDBHSA-N 320.433 2.297 10 10 DECE Cc1ccc(O)c(CNC(=O)c2n[nH]cc2Br)c1 1453656610 LGFLTMKYNUUPMG-UHFFFAOYSA-N 310.151 2.116 10 10 DECE O=C1Nc2cc(N3CC4(CC4)C3)c(Br)cc2[C@@H]1O 1914967332 VRXGBUSOYDFJQG-NSHDSACASA-N 309.163 2.035 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)C2=COCCC2)cc1C 1480430907 BHQISFBDUZBBKY-CQSZACIVSA-N 318.417 2.292 10 10 DECE Cc1c(C(=O)NCc2cc(O)ccc2O)cccc1[N+](=O)[O-] 1644752822 VZSXEUWRMUYYKD-UHFFFAOYSA-N 302.286 2.244 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 2143672515 PCXYGSLACZJNNH-QWRGUYRKSA-N 317.838 2.264 10 10 DECE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562137 AZPBVLRZOYNUBF-VIFPVBQESA-N 317.415 2.011 10 10 DECE COc1ccc(Br)c(CN[C@H]2COC[C@@H]2C)c1O 1965941198 MCQUIUQMWCUUQI-KWQFWETISA-N 316.195 2.288 10 10 DECE CN(C(=O)CCc1ccc(N)cc1)C1CCC2(CC1)OCCO2 2145838995 CIBOMUHJIRDVNC-UHFFFAOYSA-N 318.417 2.346 10 10 DECE C[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N(C(=O)OC(C)(C)C)C1CC1 1980377148 LKYFHJDIJDVSBF-IJLUTSLNSA-N 324.421 2.040 10 10 DECE [N-]=[N+]=NCCCN1CC[C@](CNC(=O)C(F)(F)F)(C2CC2)C1 1982247798 MDSDRCOZOHWWGC-GFCCVEGCSA-N 319.331 2.467 10 10 DECE CO[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1F 2146469900 OKNHKVSFKNGAOD-OLZOCXBDSA-N 301.745 2.417 10 10 DECE CC=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1983620823 XWOXQVUGTISEID-JHJVBQTASA-N 324.421 2.112 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1Br 2027968515 GLKHBJKMMIBLCZ-HJIKLVIJSA-N 318.186 2.412 10 10 DECE CON(C)C1CN(c2ccc([C@H](C)N)c(Br)c2)C1 2028071402 NCTWMTGTTXRBBA-VIFPVBQESA-N 314.227 2.151 10 10 DECE O=C(NCc1cnn(Cc2ccccc2)c1)c1cccc(O)c1O 186943066 BNMGHWRHBRXEJM-UHFFFAOYSA-N 323.352 2.273 10 10 DECE C[C@H]1[C@@H](C)N([C@H](C)c2cc(F)ccc2O)CCS1(=O)=O 2170447798 ZCMPUGWBBQRPIG-MXWKQRLJSA-N 301.383 2.100 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC[C@H](SC)C3)c(Cl)cc21 382936461 LPUWXMGTZITWPU-ISVAXAHUSA-N 311.838 2.494 10 10 DECE C[C@@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 383376967 LOYIVTVHBSJBTL-PWSUYJOCSA-N 316.854 2.373 10 10 DECE CN(Cc1ccn(C)n1)c1ccc(CN)cc1Br 723523026 DDMCVKZSFFDIDD-UHFFFAOYSA-N 309.211 2.278 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2176911711 TXHORQAXEXAOPT-PLVISXMQSA-N 318.200 2.063 10 10 DECE C[C@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)cc1Cl 2170160408 CSAXHIPMOLYWJD-JTQLQIEISA-N 316.854 2.373 10 10 DECE CC[C@H](c1cc(Br)ccc1O)N1C[C@H]2[C@@H](N)[C@H]2C1 2045669532 AJLCGFGXLRWLCI-GFQSEFKGSA-N 311.223 2.495 10 10 DECE CN[C@H](C)c1ccc(N2CC=C[C@H](O)C2)cc1Br 2046468025 OZIBGAORZJNPLC-PWSUYJOCSA-N 311.223 2.467 10 10 DECE CN(CCC1CNC1)Cc1cc(Br)cc(F)c1O 2056827346 CQTFZHSJOVZCQX-UHFFFAOYSA-N 317.202 2.335 10 10 DECE C[C@@H](NC[C@H]1C[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1O 2192325437 DAIWSYUUJDASMD-FOGDFJRCSA-N 301.383 2.005 10 10 DECE CC12CC(CN1c1cc3c(cc1Br)[C@H](N)C(=O)N3)C2 2090755852 QWMICYNZZNDCRK-XUTOFBKGSA-N 322.206 2.390 10 10 DECE CSc1ncc(CNC[C@@H](O)COC2CCCC2)s1 2269204367 UHSXNNHOTDKLCV-SNVBAGLBSA-N 302.465 2.275 10 10 DECE [N-]=[N+]=N[C@H]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C1 2209254652 JTPKOWXSDHWULW-LBPRGKRZSA-N 313.361 2.447 10 10 DECE Cc1cc(CN)ccc1N1CC(n2cc(Br)cn2)C1 2336295212 YBRGYBXZJIUWBI-UHFFFAOYSA-N 321.222 2.474 10 10 DECE CCCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1C 50582633 WGHKDWYJKZXMNZ-INIZCTEOSA-N 310.463 2.118 10 10 DECE Cn1nccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 28335915 VUKCXEYWPUJHKO-CMDGGOBGSA-N 310.401 2.350 10 10 DECE CN(CCOC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 193413637 SVQLQGSJQVTDMZ-UHFFFAOYSA-N 318.339 2.491 10 10 DECE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCC1CCC1 96298382 APAAGAWXQPXOGA-TWGQIWQCSA-N 300.402 2.453 10 10 DECE Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(F)ccc1O 375261450 AJQQMWGKRMCPPA-OAHLLOKOSA-N 319.380 2.455 10 10 DECE CC(C)N1C[C@@H](NCc2cc(Cl)c(F)cc2O)CC1=O 293577828 JNLDVGNYXNXPNC-JTQLQIEISA-N 300.761 2.284 10 10 DECE CCn1nnc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 294932333 LBJNVJGGTJMYKZ-UHFFFAOYSA-N 314.389 2.121 10 10 DECE O=C1OCCN1C[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 824454640 JCAOFJOUAGDHOX-LLVKDONJSA-N 310.781 2.320 10 10 DECE CO[C@@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCSC1 903313906 CHVAGEKWXANGQA-QMTHXVAHSA-N 312.391 2.473 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N(CCCO)C1CC1 901258622 UHIAKDFHYURLFF-UHFFFAOYSA-N 307.371 2.300 10 10 DECE COC[C@@H](CNC(=O)NCc1cccc(OC)c1O)C(C)C 927589978 UBKJRGLZVFXDOC-CYBMUJFWSA-N 310.394 2.119 10 10 DECE COC[C@@H](CNC(=O)NCc1ccc(OC)cc1O)C(C)C 927594260 VOJFGBUPIQKVHU-CYBMUJFWSA-N 310.394 2.119 10 10 DECE O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)N1Cc2cccc(O)c2C1 926636431 VPLTUBARDZHLIW-YUTCNCBUSA-N 300.358 2.009 10 10 DECE C[C@H]1[C@H](C)CC[C@@H](CN)N1Cc1ccc(N2CCOCC2)cc1 923425524 ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 317.477 2.471 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ncc(C)o3)C2)cc1 853818380 WIIOZZPZGCHMNR-LBPRGKRZSA-N 301.346 2.000 10 10 DECE COc1cccc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1O 850353369 BDJYKQPGCGCAJM-VHDGCEQUSA-N 309.406 2.057 10 10 DECE CC(C)(C)OCCS(=O)(=O)NCc1cc(Cl)ccc1O 867463542 OCRKFVKGFXATQS-UHFFFAOYSA-N 321.826 2.280 10 10 DECE COc1ccc(O)c([C@@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1 1952762414 LTISTTMQMYIDJZ-BZNIZROVSA-N 323.345 2.225 10 10 DECE COc1ccc(N2CCN(C(=O)CCSC)CC2)c(OC)c1 870163270 WCCFGJIKRNDBHN-UHFFFAOYSA-N 324.446 2.106 10 10 DECE Cc1ccc(/C=C\C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1 784683683 GEBIAUMIMCXFLU-DAXSKMNVSA-N 313.309 2.241 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC(c2nc3ccccc3[nH]2)C1 1137457832 RHHOTBLIPJQCBV-UHFFFAOYSA-N 323.352 2.143 10 10 DECE CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1O 897611280 SAJOEFFWZVYHLF-CYBMUJFWSA-N 307.371 2.155 10 10 DECE C[C@H](NCc1cccc(O)c1O)C1CN(C(=O)OC(C)(C)C)C1 686267709 ZICYWYVNNRMLDM-NSHDSACASA-N 322.405 2.443 10 10 DECE CC[C@@H](C)N(CC)S(=O)(=O)CCOc1ccc(N)cc1 70490576 QUICLTFKERWRIA-GFCCVEGCSA-N 300.424 2.098 10 10 DECE C[C@H]1[C@@H](O)CCN1c1ccc([C@@H](C)O)cc1Br 1914407216 WBQJFUYUBBGSIR-RWEMILLDSA-N 300.196 2.462 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc[n+]([O-])c1 1520325476 SOUMLHPIIHWSSD-UHFFFAOYSA-N 313.357 2.226 10 10 DECE COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C\c1cccnc1 1532452905 UMDVRSSUZYKLOL-TWGQIWQCSA-N 323.352 2.256 10 10 DECE CO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C12CCC2 1468089939 HXGXVSPPEJFKCB-HUUCEWRRSA-N 305.374 2.056 10 10 DECE CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1544164873 RSUYCEZZBDNWDM-CSMYWGQOSA-N 302.418 2.356 10 10 DECE C[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1ccccc1O 1471194625 MYXMGINLNGPVMU-JTQLQIEISA-N 324.344 2.140 10 10 DECE Cc1nnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1633648922 UGRQXYJWJCUTCE-SSDOTTSWSA-N 318.362 2.500 10 10 DECE O=C(CSCc1cscn1)NCc1ccc(O)cc1O 1638352201 LRASWXDDMLGMHI-UHFFFAOYSA-N 310.400 2.104 10 10 DECE COC(=O)c1ccc([N+](=O)[O-])c(NCc2c(O)cccc2O)c1 1652267227 KJKJIBIYGKMQLN-UHFFFAOYSA-N 318.285 2.405 10 10 DECE CO[C@]1([C@@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936982902 HKRWOKKJZLEXHS-WMLDXEAASA-N 322.405 2.418 10 10 DECE CN(CCn1cc(Br)cn1)c1ccc(CN)cc1 1972628574 GYYIDWJSDFQTAK-UHFFFAOYSA-N 309.211 2.241 10 10 DECE C[C@H](N[C@H]1C[C@H](CS(C)(=O)=O)C1)c1ccc(F)cc1O 1974470252 JMHFYWUWOZPGNW-NHCYSSNCSA-N 301.383 2.005 10 10 DECE CC[C@H](NCc1ccc(Br)cc1O)C(=O)N(C)C 2038810743 VPDOHPVAQKUPOO-NSHDSACASA-N 315.211 2.111 10 10 DECE COCC[C@H](COC)NCc1cc(Cl)cc(OC)c1O 380685626 DJQJLHDFPJQMAP-GFCCVEGCSA-N 303.786 2.195 10 10 DECE CC(C)CSCCNS(=O)(=O)Cc1ccc(N)cc1 397483388 RBQCTBPBFHQJAY-UHFFFAOYSA-N 302.465 2.077 10 10 DECE COc1ccc(O)c(Cn2nc(C3CC3)cc2C(=O)N(C)C)c1 2070110628 IRNFBXFSXZPZFR-UHFFFAOYSA-N 315.373 2.225 10 10 DECE NC[C@H]1C[C@H]2CC[C@H]1N2Cc1c(O)cccc1Br 2053974415 WCKFNTBDNLQZHT-GIPNMCIBSA-N 311.223 2.466 10 10 DECE O[C@H]1C=CCN(c2ccc(CNC3CC3)cc2Br)C1 2108782470 UGWPZFCEGIHEOS-ZDUSSCGKSA-N 323.234 2.438 10 10 DECE CCCN[C@@H]1C[C@H](OC)[C@H](OC)[C@@H]1Sc1nccs1 2109806240 LASXTRLBAFRTPG-NOOOWODRSA-N 302.465 2.406 10 10 DECE Cc1noc(C)c1C[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2308001522 QCOXXIRXXSNAKQ-SNVBAGLBSA-N 316.357 2.463 10 10 DECE Cc1ccc(CNC2CC(C)(O)C2)c(O)c1Br 2307482358 OMTVQEPNAIPKEF-UHFFFAOYSA-N 300.196 2.466 10 10 DECE CCCN[C@@H]1C[C@@H](OC)[C@@H](OC)[C@@H]1Sc1nccs1 2330255798 LASXTRLBAFRTPG-DDHJBXDOSA-N 302.465 2.406 10 10 DECE CN[C@@](CSc1nccs1)(C(=O)OC)[C@@H]1CC1(F)F 2352112259 DNQDLHBQAHBBMD-OIBJUYFYSA-N 308.375 2.022 10 10 DECE C[C@@]1(O)CCN(c2cc(Br)c(CN)cc2F)C1 310289823 KDAZZLIFNARQAL-GFCCVEGCSA-N 303.175 2.008 10 10 DECE Nc1ccc(CC[S@](=O)c2ccc3c(c2)OCCO3)cc1 124114440 DEZXYVAZILGMCH-OAQYLSRUSA-N 303.383 2.390 10 10 DECE CCN[C@@H](C)c1ccc(N2CCN(CCO)CC2)cc1Cl 78904453 RXRJEGURHPWLAY-ZDUSSCGKSA-N 311.857 2.125 10 10 DECE Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1 183433437 FLGCMEBVRSLWEC-LLVKDONJSA-N 300.358 2.471 10 10 DECE COc1cccc(CNC2CCN(C(=O)C(C)C)CC2)c1O 237187266 TZBILCCUNUPDLA-UHFFFAOYSA-N 306.406 2.137 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1C(F)(F)F 252859960 JNYGIRBBRLPHBK-JKOKRWQUSA-N 300.324 2.371 10 10 DECE CC(=O)c1cc(F)cc(CN2CCO[C@]3(CCCOC3)C2)c1O 285378125 RLAKYUZDVFBSPV-QGZVFWFLSA-N 323.364 2.115 10 10 DECE COc1cccc(CNC(=O)NCCCc2nccs2)c1O 291974051 TVYLPFVWOJZDLT-UHFFFAOYSA-N 321.402 2.289 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(CCC(F)(F)F)cc1 808529335 CXKALZWGZWRDPG-UHFFFAOYSA-N 302.248 2.496 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC2(CCO)CCCC2)c1O 809690990 AJSSCVGPRZJAHL-UHFFFAOYSA-N 310.350 2.094 10 10 DECE COc1nnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1 801748679 JFDRXSCXVJOIJZ-UHFFFAOYSA-N 321.406 2.243 10 10 DECE CC1(C)[C@@H](O)CCN1C(=O)NCCCSc1nccs1 813099667 ZNKHLVHWBWRYGX-JTQLQIEISA-N 315.464 2.180 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCc1ccccc1O)C2 818226742 XAQUNZGHXMRZKV-QEJZJMRPSA-N 304.390 2.349 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@](O)(C3CC3)C2)c1O 827152354 SLPCQBDDMKDFEA-INIZCTEOSA-N 322.361 2.046 10 10 DECE Nc1ccc(CCNC(=O)N2CCCCC[C@@H]2CCO)cc1 841957395 ASKOYGDZWIVKBR-MRXNPFEDSA-N 305.422 2.148 10 10 DECE COC(=O)CC1CC(NC(=O)N[C@H](C)c2ccccc2O)C1 924940798 QLVRHQUETYHIGL-VOMCLLRMSA-N 306.362 2.094 10 10 DECE CN(Cc1ccccc1O)C(=O)Nc1ncn(C(C)(C)C)n1 753001577 YNXNRUMMLKVQTO-UHFFFAOYSA-N 303.366 2.403 10 10 DECE CCN(C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(OC)c(OC)c1 929897015 HYOFXJANOHDMCO-HACGYAERSA-N 307.390 2.334 10 10 DECE CN(C)C(=O)C1CCC(C(=O)NCc2c(O)cccc2F)CC1 928705044 CNSYYKBRERNCNT-UHFFFAOYSA-N 322.380 2.042 10 10 DECE COc1cc(Br)cc([C@H](C)NC/C=C/CO)c1O 850508445 MQYGMEVCRVUROR-NWALNABHSA-N 316.195 2.362 10 10 DECE COc1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c(O)c1 852412938 MAAFHVMXRBGSEQ-ZDUSSCGKSA-N 321.421 2.073 10 10 DECE COc1cc(CN[C@H]2CCCNC2=O)c(O)c(C(C)(C)C)c1 850101341 IUAPSQMEBAUKKU-AWEZNQCLSA-N 306.406 2.067 10 10 DECE COc1cc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 863322585 ZSWHYKUERJCNRG-BJHJDKERSA-N 320.433 2.394 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@@H](C)NC1 861583236 PUBHXUQWBUQJHA-HIFRSBDPSA-N 304.438 2.001 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H](N)CCC(C)C)CC2)cc1 876707820 BEFLYMXWICEQMW-KRWDZBQOSA-N 319.449 2.107 10 10 DECE COC(=O)c1c(CN(C)C2(CO)CC2)c2cc(F)ccc2n1C 895352800 BTFOQWRBUPSIHI-UHFFFAOYSA-N 320.364 2.061 10 10 DECE COc1cccc(CNC[C@@H]2COc3ccccc3O2)c1O 76272147 JQERLUUDZCWLLB-CYBMUJFWSA-N 301.342 2.330 10 10 DECE C[C@@H]1COCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897197815 KMSQAXQFAZXTAP-VIFPVBQESA-N 307.371 2.421 10 10 DECE CN1C(=O)/C(=C/c2cncnc2)c2cc(Br)cnc21 794956199 FVXJSDWTGWGCJH-BIIKFXOESA-N 317.146 2.151 10 10 DECE CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C(=O)OCC 1139409450 RJMGMIAPMJXEAI-UPZNUWHASA-N 321.373 2.301 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnc(O)cc2OC)c1 1137473801 WNBSDIUKKQOTBK-VIFPVBQESA-N 318.329 2.001 10 10 DECE CNC(=O)[C@@H](C)NCc1cc(Cl)cc(Br)c1O 708072627 HHRWMPPBMHJOHH-ZCFIWIBFSA-N 321.602 2.032 10 10 DECE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H]1CCNC1=O 1916801274 UJNGTJFOOFBQED-KWQFWETISA-N 313.195 2.036 10 10 DECE C[C@H](NC(=O)NCc1cnc(Cl)cn1)c1ccccc1O 1313191453 QGOUSTLFVBZSFW-VIFPVBQESA-N 306.753 2.396 10 10 DECE CC(C)(C)OC(=O)NOCCCNCc1c(O)cccc1F 1958764471 UGRCYNJWHCIVAO-UHFFFAOYSA-N 314.357 2.467 10 10 DECE COC1CCN(c2ccc(CN3C[C@H](O)C4(CC4)C3)cc2)CC1 1324720635 LQZWOGDCUBNRNC-SFHVURJKSA-N 316.445 2.259 10 10 DECE O=C(c1ccc([N+](=O)[O-])c(O)c1)N1Cc2cccc(O)c2C1 1175029409 DHXLNQMVJKIORQ-UHFFFAOYSA-N 300.270 2.162 10 10 DECE C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H](C)S1(=O)=O 1664906199 RLJYHLRHDYXEBT-NXEZZACHSA-N 303.811 2.053 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC(N=[N+]=[N-])C2)[C@@H]2C[C@H]21 1902969923 SVWVMXAPIGNTOJ-SDDRHHMPSA-N 321.381 2.153 10 10 DECE C[C@@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 1333999970 OLNXTYWWUJRWQL-OAHLLOKOSA-N 307.371 2.203 10 10 DECE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 1264945920 ZQGYHGOZOKKJQZ-OVHOFWQVSA-N 321.380 2.176 10 10 DECE CC(C)[C@@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1 1347914383 JSPCSKPOMLOXQD-MFKMUULPSA-N 311.353 2.418 10 10 DECE C[C@@H](CO)N(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 1914373564 DSFBUAGTBVHKNP-ZDUSSCGKSA-N 315.369 2.164 10 10 DECE COC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccc(OC)cc1 1450173870 PACUZQVOGMYKKG-ZDUSSCGKSA-N 321.354 2.106 10 10 DECE C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914966341 DVKJXQVHVBWUIF-LBPRGKRZSA-N 301.342 2.121 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Cn1nnc2ccccc21 1628858838 BAEVOUPBSNXOMI-UHFFFAOYSA-N 323.400 2.122 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1ccc2c(n1)OCCO2 1648609493 ZRXHGKWLLKCXGC-UHFFFAOYSA-N 320.732 2.142 10 10 DECE CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 5895645 HOOIMVGREKMMCL-KPKJPENVSA-N 315.325 2.108 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1cccc(Cl)c1O 2141089401 VMDSLAXCXXXEEH-NWDGAFQWSA-N 303.811 2.101 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](F)C2)c(Br)c1 1944244628 VMIYUDYXACKUAS-VHRDEZTHSA-N 304.159 2.021 10 10 DECE Cc1cccc(O)c1CNCC1(NC(=O)OC(C)(C)C)COC1 1963063694 CTIYSUDDCNQNEN-UHFFFAOYSA-N 322.405 2.084 10 10 DECE C[C@@]1(CNCc2cc(Br)ccc2O)COCCO1 1967789712 ASCMZKCMFWKTNL-CYBMUJFWSA-N 316.195 2.050 10 10 DECE CO[C@H]1C[C@H]1CNCc1cc(Br)cc(F)c1O 2014592112 YPJOKAOPKAUYLG-CPCISQLKSA-N 304.159 2.418 10 10 DECE CN1CC[C@@H]2CN(c3ccc(CN)c(Br)c3)C[C@H]2C1 311878615 YACLLCPDXWLDQF-CHWSQXEVSA-N 324.266 2.296 10 10 DECE CP1(=O)CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC1 2171998113 PYBYNXGREOERDY-GFCCVEGCSA-N 313.725 2.105 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NCc1ccc(F)c(F)c1O 703395949 VXCYJVYDRCWBTB-GHMZBOCLSA-N 314.332 2.426 10 10 DECE 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2.129 10 10 DECE Nc1csc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 2071739355 UGDKBBVLMDMUTQ-UHFFFAOYSA-N 304.780 2.490 10 10 DECE [N-]=[N+]=NCCCCNS(=O)(=O)C[C@H]1C[C@H]1C(F)(F)F 2108415783 MTXKIDMWLZTDNK-HTQZYQBOSA-N 300.306 2.195 10 10 DECE CC(C)N(CCS(C)(=O)=O)c1ccc(CO)c(Cl)c1 2113818521 LSLZDBKGEOAZKE-UHFFFAOYSA-N 305.827 2.092 10 10 DECE COc1ccc(N2CC[C@](C)(O)C2)c(OC)c1Br 2219390383 VGWZJLJWWOWPJH-ZDUSSCGKSA-N 316.195 2.427 10 10 DECE NCc1ccc(N2C[C@H](O)CCC23CC3)c(Br)c1 2220305890 QVYCAWCJXLAVQK-LLVKDONJSA-N 311.223 2.402 10 10 DECE CNCc1ccc(N2CC=C[C@]2(C)CO)cc1Br 2221481032 VHGNVTOCAKQORR-CQSZACIVSA-N 311.223 2.296 10 10 DECE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cnc(Br)cn2)C1 2221595785 JZQFPKNKXPFBJG-ZETCQYMHSA-N 311.143 2.012 10 10 DECE [N-]=[N+]=NCCCNC(=O)c1cc(Br)c(O)cc1O 2256018626 PEDBBOGSXCINCF-UHFFFAOYSA-N 315.127 2.291 10 10 DECE C[C@H]1CN(C2=NC(=O)C(=Cc3ccc(O)cc3)S2)C[C@@H](C)O1 2293320693 VMDWJVZCKMYDND-PHIMTYICSA-N 318.398 2.472 10 10 DECE Oc1c(Br)cccc1CN1CCOC[C@H](F)C1 2299887361 JSGDOZKYOXSABY-SNVBAGLBSA-N 304.159 2.325 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccnn1C 277976596 NEXJUPDQNULSOW-UHFFFAOYSA-N 300.406 2.077 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 808488492 VODDEDMKTHYUAC-QMMMGPOBSA-N 319.140 2.462 10 10 DECE O=C(c1c[nH]nc1[C@H]1CCNC1)N1CC2(CC2)c2ccccc21 662469913 MGYLSUOOFGOHQN-LBPRGKRZSA-N 308.385 2.179 10 10 DECE C[C@H]1CN(C(=N)NCc2c(O)ccc3c2CCCC3)CCO1 849011087 ORGSIBJMIPNHKT-LBPRGKRZSA-N 303.406 2.016 10 10 DECE CC1(C)O[C@H]2C[C@H](NC(=O)NCc3c(O)cccc3F)C[C@H]2O1 927367854 DMSKVJJIHIKUOX-CFWWUVRLSA-N 324.352 2.013 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CCN(C)[C@@H](C)C3)C2)cc1 850488086 LBJYJDJJDPUELR-JYJNAYRXSA-N 303.450 2.346 10 10 DECE Cc1cc(CC(=O)OCC(=O)N(C)C)c(C)n1-c1ccccc1 853102933 SOLQGHSNXVAGNF-UHFFFAOYSA-N 314.385 2.268 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)Cc2ccc(O)c(O)c2)C1 1952718063 UZOFCZBLXQACAX-QWHCGFSZSA-N 322.405 2.225 10 10 DECE COc1cc(N2CC[C@H]3[C@@H](CCN3C)C2)c([N+](=O)[O-])cc1OC 866206906 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C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCN=[N+]=[N-] 1880836748 DQJSWQXULBCLGP-NSHDSACASA-N 305.338 2.070 10 10 DECE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(CCCCN=[N+]=[N-])C1 1962304783 ORKSYFZQJIRZGG-NXEZZACHSA-N 307.320 2.466 10 10 DECE C[C@H]1C[C@H](CNCc2cccc(Cl)c2O)CCS1(=O)=O 1967903064 XHBFIFRUAKELTP-WDEREUQCSA-N 317.838 2.349 10 10 DECE CC1(C2CCN(C(=O)CCc3ccc(N)cc3)CC2)OCCO1 2145810110 SRGCSHUAFIVVIF-UHFFFAOYSA-N 318.417 2.203 10 10 DECE CC(C)[C@H](O)CN(C)c1ccc(CO)cc1Br 2002408593 QMHXEUCFNDDMGH-CYBMUJFWSA-N 302.212 2.395 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]21 1985095056 YEXRZSXWUXTENT-NEBACSHRSA-N 323.397 2.304 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 1985103653 YOPTWBIUQFIWBC-WOPDTQHZSA-N 323.397 2.401 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]2[C@@H](C)O)c(Br)c1 2011150136 XNXJNFDTKQFAFN-LNLATYFQSA-N 300.196 2.462 10 10 DECE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 309967822 GNISAAJHKAPXPI-CZUORRHYSA-N 317.393 2.394 10 10 DECE C[C@@H]1C[C@H](c2noc(-c3sccc3O)n2)CCS1(=O)=O 2161409021 AEBSKYMQBNDTII-HTQZYQBOSA-N 314.388 2.184 10 10 DECE C[C@@H](O)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Cl)c1 2167833128 ZAODYMWPDSPHQR-SNVBAGLBSA-N 317.838 2.407 10 10 DECE CCCS(=O)(=O)CCN(C)[C@H](C)c1ccc(F)cc1O 2170548372 QYXWUQRWFRYVEB-LLVKDONJSA-N 303.399 2.349 10 10 DECE Cc1nc(CN(C)c2ccc(CN)cc2Br)no1 2042306215 VLEXRTWEEYSWNL-UHFFFAOYSA-N 311.183 2.236 10 10 DECE CC[C@@H](c1cc(Br)ccc1O)N1C[C@H]2[C@H](N)[C@H]2C1 2045669533 AJLCGFGXLRWLCI-KZVDOYCCSA-N 311.223 2.495 10 10 DECE CNCc1ccc(N(CCO)[C@H]2C[C@@H]2C)cc1Br 2048202570 ULRJAYODZHHVJY-HZMBPMFUSA-N 313.239 2.376 10 10 DECE C[C@@H](N=c1[nH]ccnc1Br)c1cc(O)ccc1O 2057936007 VIQSOZNILZANSM-SSDOTTSWSA-N 310.151 2.245 10 10 DECE CN(C[C@]1(C)CSCCO1)c1c(F)cc(CN)cc1F 2201237258 MCSXZDHMBGTMLU-CQSZACIVSA-N 302.390 2.382 10 10 DECE CCN(c1ccc(CN)c(Cl)c1)[C@H](C)CS(C)(=O)=O 2114031837 OOHCKUOIXPMNIJ-SNVBAGLBSA-N 304.843 2.058 10 10 DECE C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc(CO)c(Br)c1)C2 2258385545 QNXZFYVHECSISW-YABSGUDNSA-N 312.207 2.149 10 10 DECE O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)CC[C@@H]12 365662087 SOLCJYAJTGMBHU-MWLCHTKSSA-N 315.200 2.267 10 10 DECE NCc1cc(F)c(N2C[C@@H]3C[C@H]2CO3)cc1Br 718319441 LKUSLFOEAQATDK-IUCAKERBSA-N 301.159 2.024 10 10 DECE COc1ccc(N2CCN(Cn3cccnc3=S)CC2)cc1 46476494 DKDVGIRKNHAXIH-UHFFFAOYSA-N 316.430 2.401 10 10 DECE CCNCc1ccc(OC)c(C[S@](=O)C2CCOCC2)c1 84054398 SDXQOBPJMFZSKZ-OAQYLSRUSA-N 311.447 2.232 10 10 DECE CCOC(=O)c1csc(CCNCc2ccccc2O)n1 190340947 UGOXBXJULUFKQS-UHFFFAOYSA-N 306.387 2.358 10 10 DECE COC(=O)CC1(NCc2cc(OC)c(OC)cc2O)CCCC1 279619366 GPLIKUIXEHDVHW-UHFFFAOYSA-N 323.389 2.375 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 808514176 WBRRVGXAUVTEJX-VIFPVBQESA-N 318.247 2.174 10 10 DECE Cc1nccc(C(=O)NCc2cc(Br)ccc2O)n1 804739683 OKIUZMLWANYMQI-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CCCONC(=O)NCc1cc(Br)ccc1O 828328182 BCWIIYLWFPRMFM-UHFFFAOYSA-N 303.156 2.296 10 10 DECE Cc1cc(CC(=O)NCCc2nc[nH]n2)c(C)n1-c1ccccc1 828813490 ORAKATMCJNNGSN-UHFFFAOYSA-N 323.400 2.114 10 10 DECE CN(C)c1ccc(CN(C(=O)C23CCN(CC2)C3)C2CC2)cc1 900124898 QLVYHYDLFTVZLF-UHFFFAOYSA-N 313.445 2.339 10 10 DECE CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1F 846102403 FOWZEFJWRQBWEP-RXSFTSLZSA-N 310.438 2.377 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C)(C(N)=O)C2)cc1 843938863 BNMDRGJOZLTXAY-UHFFFAOYSA-N 311.385 2.042 10 10 DECE Cn1nccc1[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2 844756555 LVDNZOUTYFHFRW-KRWDZBQOSA-N 313.401 2.188 10 10 DECE COc1ccc(N2CCN(Cc3cc(C)nnc3C)CC2)cc1 929153021 MNJHALZUKCOJSC-UHFFFAOYSA-N 312.417 2.424 10 10 DECE O=C(OCCOCCOc1ccccc1)c1cccc(O)c1O 758557990 MNKFWCKNNBIAQH-UHFFFAOYSA-N 318.325 2.350 10 10 DECE C[C@@H](N[C@@H]1CNOC1)c1cc(Br)cc(Cl)c1O 925862898 ZYEKMJPYTVQORI-HTRCEHHLSA-N 321.602 2.362 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)Cn3cccn3)C2)cc1 850488591 NNRDGDUGNPKIHU-GJZGRUSLSA-N 300.406 2.149 10 10 DECE CC(C)[C@H](NCC(F)(F)F)C(=O)NCCc1ccc(N)cc1 852796207 QZRWIJYTBGBLMP-ZDUSSCGKSA-N 317.355 2.104 10 10 DECE O=C(C[C@H]1CCCOC1)NCc1ccc2cccnc2c1O 862026758 ZNYJVWVJLKAREP-GFCCVEGCSA-N 300.358 2.373 10 10 DECE CN(C)c1ccc(CNC(=O)c2nccnc2Cl)cc1F 1136454449 ZBRKZINYUQGWSW-UHFFFAOYSA-N 308.744 2.265 10 10 DECE CCNCc1ccc(N2CC([C@@H](C)O)C2)c(Br)c1 719844866 LMOCLGVLTRROSX-SNVBAGLBSA-N 313.239 2.376 10 10 DECE Oc1c(F)cc(Br)cc1CNCCc1cnc[nH]1 715799093 XSCKTJZFAMEDFW-UHFFFAOYSA-N 314.158 2.349 10 10 DECE O=C(/C=C\c1ccncn1)Nc1c(Cl)ccc2nonc12 1324856514 CAQZLDBZLMPYEJ-RJRFIUFISA-N 301.693 2.318 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3cccc3)C2)cc1 1334738998 CFPCOTBIJWBOMD-LSDHHAIUSA-N 313.401 2.453 10 10 DECE CN1CCN(c2ccc(CN[C@H]3C[C@@H]4C[C@@H]4C3)cc2F)CC1 1348860011 LIHAUXVOJCHCHY-MUJYYYPQSA-N 303.425 2.466 10 10 DECE C[C@H]1CCCc2ncc(C(=O)NCc3c(O)cccc3O)n21 1456318997 MXCYSBGYNGBIMH-JTQLQIEISA-N 301.346 2.122 10 10 DECE O=C(NCc1c(O)cccc1O)c1c(Cl)n[nH]c1C1CC1 1456310327 ABSKQVNTBNWRAA-UHFFFAOYSA-N 307.737 2.282 10 10 DECE O=C(/C=C\c1ccncn1)NCc1ccc2cccnc2c1O 1299721853 SEOXTUJAHKQPGJ-WAYWQWQTSA-N 306.325 2.060 10 10 DECE COc1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)c(O)c1 1467470223 HUNZIILOHDVAFG-UHFFFAOYSA-N 324.340 2.116 10 10 DECE O=C(Cc1nc(C2CC2)n[nH]1)NCc1c(O)ccc2ccccc12 1472084738 COPMITGEZGUUDJ-UHFFFAOYSA-N 322.368 2.400 10 10 DECE C[C@H](N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O 227558947 MLLOQFNDDBPPDM-XDTLVQLUSA-N 308.378 2.414 10 10 DECE CC(C)(C)OC(=O)NC[C@]1([C@H](N)c2ccccc2O)CCCO1 1923457628 LJGDENWPFQLEBR-PBHICJAKSA-N 322.405 2.466 10 10 DECE CCC[C@]1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1556849186 WLYCVKBGQIMLHI-INIZCTEOSA-N 318.377 2.474 10 10 DECE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](CO)c1ccccc1 1637387251 CBBPWHIKWPONLZ-WKTRQSJXSA-N 313.353 2.303 10 10 DECE O=Cc1c[nH]c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc12 1630335941 YJHMVSQDPHCQFS-UHFFFAOYSA-N 324.336 2.364 10 10 DECE COc1ccc(O)c([C@H](C)Nc2cc(C(N)=O)nc(Cl)n2)c1 1642229026 IMYBYKGNISDNSR-ZETCQYMHSA-N 322.752 2.116 10 10 DECE NC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 1653563986 VTTQCUIUZLIHRP-UHFFFAOYSA-N 319.748 2.466 10 10 DECE CCCCn1cc(C(=O)NCc2c(O)cccc2O)c(C)n1 1652625683 IOMMEEGGFLMHLL-UHFFFAOYSA-N 303.362 2.333 10 10 DECE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc(Br)c(F)c1 161480638 LEMLKORNXJQFCI-SECBINFHSA-N 316.134 2.015 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CCCn2ncnc21 1964045650 PUVOYBKYCCQQTB-LLVKDONJSA-N 323.194 2.371 10 10 DECE C[C@H]1C[C@@H](C(=O)O)N(Cc2ccc(Br)cc2O)C1 2041337964 COJUPQAZWDLWDL-KWQFWETISA-N 314.179 2.450 10 10 DECE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCC34CC4)c2n1 2064123520 AYKDUPGKOFVOFF-NSHDSACASA-N 300.362 2.053 10 10 DECE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CC2)c(C(N)=O)c1N 2078986134 OAEVWORLHOUKKA-LBPRGKRZSA-N 314.389 2.455 10 10 DECE COc1ccc([C@@H](n2nc(C)c(CO)c2N)C2(C)CC2)c(O)c1 2079959413 UXCZEXQIWXWFDN-OAHLLOKOSA-N 317.389 2.370 10 10 DECE O=C(NC(C(F)(F)F)C(F)(F)F)c1cccc(O)c1O 2183914776 NWMBKKFVISQZSH-UHFFFAOYSA-N 303.158 2.321 10 10 DECE CN(c1cc2c(cc1Br)[C@@H](N)C(=O)N2)C1(C)CC1 2050024004 QNAGEKYPZHPJRW-LLVKDONJSA-N 310.195 2.390 10 10 DECE N=c1cc(NCCc2ccc(N)cc2)c(Br)c[nH]1 2053526314 IJTPSGUAHYCGDT-UHFFFAOYSA-N 307.195 2.493 10 10 DECE CN[C@H](C)c1cc(F)c(N2CC(C[S@@](C)=O)C2)c(F)c1 2194691252 QRROYYQHNRFYHD-GSDQLPOLSA-N 302.390 2.060 10 10 DECE CN[C@](CSc1nccs1)(C(=O)OC)C1(Cl)CC1 2085544697 NWJAGFZKGSSUJO-LLVKDONJSA-N 306.840 2.138 10 10 DECE CO[C@H](CNCc1cnc(SC)s1)C1CCOCC1 2208649731 FGVLJOAAARZTGW-GFCCVEGCSA-N 302.465 2.396 10 10 DECE COc1sccc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225800599 PVXATUVESZTSGF-SFYZADRCSA-N 302.381 2.266 10 10 DECE CN1C(=O)C(=Cc2ccc(N3CCOCC3)cc2)SC1=S 2294854631 SVLZKNWRRVMEAX-UHFFFAOYSA-N 320.439 2.354 10 10 DECE CSc1ncc(CNC(=O)C2=C(C(=O)O)CCCC2)s1 2284536917 LPOOHJBYHXLKOR-UHFFFAOYSA-N 312.416 2.436 10 10 DECE CC1CCN([C@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307986888 KPODRJXKMHBCOD-CQSZACIVSA-N 318.417 2.348 10 10 DECE CCCNC(C)=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC 2313681489 GJYOQKUNHGPOPE-UHFFFAOYSA-N 315.373 2.226 10 10 DECE O=C(O)[C@H]1[C@@H]2C[C@@H]2CN1Cc1ccc(Br)cc1O 2308355884 AFRYDIWFQOCWMN-HLUHBDAQSA-N 312.163 2.060 10 10 DECE COc1cccc(CNC(=O)[C@@H](C)n2nc(C)cc2C)c1O 178250158 SXQOQRKSEVMCMG-GFCCVEGCSA-N 303.362 2.092 10 10 DECE CC(=O)N1CC(NC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 173034552 VJLWTLRAAXJLRB-UHFFFAOYSA-N 311.385 2.055 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(C)Cc3scnc3C)ccc21 111670578 RALDATLIVCZMDX-CQSZACIVSA-N 302.403 2.301 10 10 DECE CNS(=O)(=O)c1ccccc1N[C@@H](C)c1ccccc1O 37158668 JOBTVGSDCLVFJL-NSHDSACASA-N 306.387 2.473 10 10 DECE CN(C)C[C@@H]1CCCN1c1ccc(CN)c(Br)c1 228151746 HQZKOYHYWAXLAP-ZDUSSCGKSA-N 312.255 2.438 10 10 DECE COc1cccc(CNC[C@H](n2cccn2)C(F)(F)F)c1O 527742720 MACHYRDBFNDBLO-LBPRGKRZSA-N 315.295 2.491 10 10 DECE CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1F 362334630 HYXCIZKEDNMNSL-GDBMZVCRSA-N 319.424 2.382 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC(C)(C)O1 362603141 MCRANZVDMSXYDH-CQSZACIVSA-N 304.390 2.436 10 10 DECE Cc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(O)c1O 365935507 XEZWWWVSEVWRHA-UHFFFAOYSA-N 310.313 2.444 10 10 DECE CCS(=O)(=O)CCN(C)Cc1cc(Cl)c(F)cc1O 295308504 KIIIRDXKWBXPAV-UHFFFAOYSA-N 309.790 2.051 10 10 DECE C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)CCS1(=O)=O 294713658 OYRFNDROLOULPR-VIFPVBQESA-N 321.801 2.194 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 808540804 XZWMPEVXQQAKPL-VIFPVBQESA-N 318.247 2.174 10 10 DECE COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H](C)N)ccc21 653144366 QIJFEEYPGNHYKK-QWHCGFSZSA-N 317.433 2.370 10 10 DECE C[C@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C)c1ccc(N(C)C)cc1 846732900 JINVRSICNUXLGS-QWHCGFSZSA-N 319.449 2.481 10 10 DECE CC(C)(C)n1cccc(C(=O)NCc2c(O)cccc2F)c1=O 928708208 DRRQCXDSNXEUGD-UHFFFAOYSA-N 318.348 2.378 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C(OC)OC 923676959 WMZWKOIAUQHQJU-ZDUSSCGKSA-N 323.437 2.292 10 10 DECE CC1(N2CCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 922171769 MGWXEIOFISGYJQ-GQCTYLIASA-N 316.401 2.198 10 10 DECE Cc1ccc(O)c(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1 857061272 NKBIFRMFZOJOMA-INIZCTEOSA-N 317.410 2.460 10 10 DECE COc1ccc(N2CCN(Cc3nn(C)cc3C)CC2)cc1F 929825048 ZZFZHVYEVKANDX-UHFFFAOYSA-N 318.396 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O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1ccsc1 1156885961 QGMQRIXWAXTINJ-UHFFFAOYSA-N 315.354 2.479 10 10 DECE O=C(CCOc1ccccc1F)NCc1ccc(O)cc1O 1162277815 BYUSNKSITSYOPS-UHFFFAOYSA-N 305.305 2.322 10 10 DECE NCc1ccc(N2CCN(CC3CC3)CC2)c(Br)c1 212969361 SAOVDDOQAKRFMQ-UHFFFAOYSA-N 324.266 2.440 10 10 DECE CC(C)c1cc(C(=O)NCc2c(O)cccc2O)cc(O)n1 1456235707 MXYXLUTXWFJXLB-UHFFFAOYSA-N 302.330 2.252 10 10 DECE C[C@H](OCc1ccccc1)C(=O)NCc1ccc(O)cc1O 1451770796 RELARXIRFBNRQA-LBPRGKRZSA-N 301.342 2.319 10 10 DECE CN(C(=O)c1cc2cc(O)c(O)cc2s1)c1cnn(C)c1 1629669485 FBHIZWYHQSQNRL-UHFFFAOYSA-N 303.343 2.323 10 10 DECE CCc1c(C(=O)NCc2c(O)cccc2O)cnn1CC(C)C 1635847231 KMVQHQIMHRDLJI-UHFFFAOYSA-N 317.389 2.443 10 10 DECE Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] 1632372165 XKNNGPAITKMDOQ-UHFFFAOYSA-N 316.313 2.173 10 10 DECE O=C(NCc1cnc(C(F)(F)F)nc1)c1cc(O)cs1 1641346195 KOWIEBSSABTQKJ-UHFFFAOYSA-N 303.265 2.193 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1[C@@H](N)c1ccccc1O 1928468774 ACCSXKCUPRCFQH-XBFCOCLRSA-N 308.378 2.074 10 10 DECE c1cnc([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nc1 1655717136 YRXKEPXSSRSGTJ-KRWDZBQOSA-N 324.428 2.303 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1Nc1ccccc1N 1959362391 FWPHAHRZUOLYES-ZIAGYGMSSA-N 307.394 2.363 10 10 DECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C1CC1 1696701181 WLCDXHSMCLZMLD-CYBMUJFWSA-N 314.389 2.459 10 10 DECE CCN[C@H](C)c1ccc2c(c1)CCCN2CCS(C)(=O)=O 162259498 HUEDKFJEHOUDAU-CYBMUJFWSA-N 310.463 2.154 10 10 DECE COc1ccc(Br)c(CNCc2cc[nH]n2)c1O 1964554098 CWDRZHCVNGXLOD-UHFFFAOYSA-N 312.167 2.176 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)C2)c1O 1970333868 ZOBRSZJHWNPMQL-YBYGRFCBSA-N 315.822 2.201 10 10 DECE C[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1 1985105722 SSIFEMADZNESHF-CMPLNLGQSA-N 323.397 2.401 10 10 DECE CC1(C)C[C@@H](NCc2c(O)cccc2Br)[C@@H]1O 1998351283 YEVQHYGBSJXVCW-PWSUYJOCSA-N 300.196 2.404 10 10 DECE N[C@@H]1CCN(Cc2cc(Br)ccc2O)CC1(F)F 2034173591 YUJGFMIOPIXJDC-LLVKDONJSA-N 321.165 2.323 10 10 DECE C[C@H](N)c1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(F)c1 2160765924 WCVJMEQHQJPEHF-MNOVXSKESA-N 302.415 2.105 10 10 DECE CCCS(=O)(=O)CCN(C)c1ccc([C@@H](C)O)cc1F 2170467165 MZJLPWZEYFNAFR-LLVKDONJSA-N 303.399 2.140 10 10 DECE CCC1(C(=O)O)CN(Cc2c(O)cccc2Br)C1 722868319 LKBIBITVGFKRFW-UHFFFAOYSA-N 314.179 2.451 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2cncc(Cl)c2)C1 2187850193 ZSGBJTBBEUWZQF-VIFPVBQESA-N 315.786 2.446 10 10 DECE CN(Cc1cn(C)cn1)c1ccc(CO)cc1Br 2042265936 XACNJBGGXUETQW-UHFFFAOYSA-N 310.195 2.311 10 10 DECE C[C@H](N)c1ccc(N2CC3(CC[C@@H]3O)C2)cc1Br 2059157178 NSVHYCUKNFCEAG-ZANVPECISA-N 311.223 2.430 10 10 DECE C[C@H](O)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)cc1Br 2067432524 RRXGOTUYCFWLQV-DLOVCJGASA-N 311.223 2.395 10 10 DECE CN[C@H]1CCC2(C[C@H]1N(C)c1ccc(OC)cc1)OCCO2 2264356526 NFWYWWBOUBHJLP-JKSUJKDBSA-N 306.406 2.015 10 10 DECE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1 2294134164 VMUVOOZHUQBADT-UHFFFAOYSA-N 322.320 2.367 10 10 DECE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1nnc2ccccn12 2307982181 RQHJBFLIQRFMGP-LLVKDONJSA-N 324.340 2.031 10 10 DECE CC(C)NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 177864629 KTQXLLQRPCYMRY-OAHLLOKOSA-N 319.449 2.089 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)CO)cc1 172607899 DBCCKGFUYVUUBH-UONOGXRCSA-N 307.438 2.349 10 10 DECE CC1(C)[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 301710012 XFQPEHGRXBCUOH-RKDXNWHRSA-N 303.318 2.018 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1 187925339 FVBBTQQZTLYEOX-UOJODKQESA-N 320.389 2.329 10 10 DECE Cc1cccc(CNS(=O)(=O)c2cc(N)c(C)s2)c1O 2363018971 IOYWVTRLWINLSD-UHFFFAOYSA-N 312.416 2.131 10 10 DECE Oc1cc2c(cc1CN1CCO[C@@]3(CCOC3)C1)CCCC2 184268141 CLEACEXRPBDURP-SFHVURJKSA-N 303.402 2.262 10 10 DECE C[C@H](CC[S@](=O)CC(=O)Nc1ccc(N)cc1)C(F)F 2363938364 UQKPXWUMEMFBSK-YBYGRFCBSA-N 304.362 2.247 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(NCc3cccc(F)c3O)[C@@H]2C1 227573447 NOLARWNAWJMHQC-VXGBXAGGSA-N 322.380 2.486 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CCOCC[C@H]2C)s1 2371274161 KCGYSLFCAOZTEE-NOZJJQNGSA-N 316.448 2.225 10 10 DECE C[C@@H](c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C1CC1 273909839 HIPAEPSUKYNILB-MRVPVSSYSA-N 323.374 2.327 10 10 DECE CN(Cc1ncc(Cl)n1C)c1c(F)cc(CN)cc1F 2166117397 PZPHMBAINXGCOB-UHFFFAOYSA-N 300.740 2.447 10 10 DECE CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 824728900 SPRMNMMLHCFESX-XKQJLSEDSA-N 318.417 2.205 10 10 DECE C[C@H]1OC(=O)N[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O 725400998 KCASDWSPEZHDCV-VHWMUFPASA-N 317.095 2.232 10 10 DECE COc1ccc(O)c(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1 826902370 JZKCQMUAAUDDMT-JGGQBBKZSA-N 309.406 2.057 10 10 DECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2C[C@@H]2C1 822688425 QAAJCKINZYWBAU-FICVDOATSA-N 318.392 2.325 10 10 DECE COC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 841955739 LMBJKXPCOFSQAF-OAHLLOKOSA-N 305.422 2.269 10 10 DECE CC(C)(C)OC(=O)NC1([C@@H](N)Cc2ccc(O)c(O)c2)CC1 1952610847 NHNFPQXSOJAYSE-ZDUSSCGKSA-N 308.378 2.025 10 10 DECE CCN(C)c1ccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 852652811 FMNRPKJWDSCWCU-QGZVFWFLSA-N 318.465 2.330 10 10 DECE CN(C)c1ccnc(CNC(=O)N2Cc3cccc(O)c3C2)c1 924676281 VOFAJDQINHNLCT-UHFFFAOYSA-N 312.373 2.079 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cncc1C 858826279 GIPPIQIBGSOKBK-UHFFFAOYSA-N 300.406 2.306 10 10 DECE COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@H]3COC[C@@H]3O1)CCC2 930721806 JTGSPTVRZCHHCT-QRTARXTBSA-N 319.401 2.260 10 10 DECE O=C(O)[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 864519349 MAUSWXWPMHLSHW-IAGOWNOFSA-N 318.417 2.399 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(Br)c(F)c1C 1118480153 VEKFXDVFOOIYJS-UHFFFAOYSA-N 317.110 2.212 10 10 DECE NCCN1CC2(CCCCC2)Nc2cc3c(cc21)OCCO3 76930944 ADRGIPUHUJYODV-UHFFFAOYSA-N 303.406 2.351 10 10 DECE C[C@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 792039431 QTDSJDJMUDJKIJ-BETUJISGSA-N 321.396 2.355 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3CN(C)C[C@@H]3C2)c(Br)c1 706967147 ULYGULLSUHGEON-RTXFEEFZSA-N 324.266 2.467 10 10 DECE O=C(O)[C@@H]1CC=C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 1339255350 WLVVSKKIDXUPSO-HZPDHXFCSA-N 316.401 2.032 10 10 DECE C[C@H](O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 1452808537 CBZOVEZHUYEXLY-XPTSAGLGSA-N 305.305 2.089 10 10 DECE CCC(CC)[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1545514670 HMYLGPRGHBIOKD-ZDUSSCGKSA-N 306.366 2.376 10 10 DECE COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1OC 1626837874 IFBFRFIONFVHKX-UHFFFAOYSA-N 303.314 2.045 10 10 DECE Cc1cc(C(=O)NCc2ccc(O)cc2O)c2c(C)noc2n1 1630301657 FXKZSUZCWMHPKG-UHFFFAOYSA-N 313.313 2.181 10 10 DECE O=C(NCc1c(O)cccc1F)c1nnc2ccccc2c1O 1635361196 ZMIREEJPEBRYHZ-UHFFFAOYSA-N 313.288 2.110 10 10 DECE CN(C)c1ncc(C(=O)NCc2ccc(O)c(O)c2)cc1Cl 1630273062 IVCNYNROWSFNKJ-UHFFFAOYSA-N 321.764 2.142 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC(F)(c2ccccc2F)C1 1569793580 MJIJLDCMKZZOEQ-UHFFFAOYSA-N 319.307 2.487 10 10 DECE O=C(NCc1c(O)cccc1F)c1ncoc1-c1ccon1 1596916417 GHYKYHAPSVYSJB-UHFFFAOYSA-N 303.249 2.104 10 10 DECE CCN(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 1593872944 HMJGBLDRVJSCCW-KRWDZBQOSA-N 314.385 2.407 10 10 DECE COC[C@H](CF)NCc1cc(Br)cc(F)c1O 2005352392 FAYYEULHXQMZSP-VIFPVBQESA-N 310.138 2.368 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2145070629 IIIJKNWHDILJPS-ISTVAULSSA-N 315.822 2.226 10 10 DECE CN(Cc1ccccc1)C[C@H](N)[C@@H](O)c1ccc(N(C)C)cc1 1977937593 COFIIHVSTPFCIM-OALUTQOASA-N 313.445 2.245 10 10 DECE CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2O)cn1 2146309545 USGUONIKOAHVGG-UHFFFAOYSA-N 312.778 2.456 10 10 DECE NCc1ccc(N(CCO)CC2CC2)c(F)c1Br 688405068 UNYBYUYQCJJATI-UHFFFAOYSA-N 317.202 2.256 10 10 DECE NCc1ccc(N2C[C@H]3COCC[C@H]32)c(F)c1Br 2073013845 GOZPNVMKBBLSCB-VHSXEESVSA-N 315.186 2.272 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)Cc1cccc(Cl)c1O 2104456305 NZIDSEUKGJOKPM-JTQLQIEISA-N 305.827 2.301 10 10 DECE CC[C@H]1[C@H](O)CCN1c1ccc(CO)c(Br)c1 2250995868 VXSUNZAIOZHCNL-QWHCGFSZSA-N 300.196 2.291 10 10 DECE Oc1cc(O)c(CNCCNC2CCC2)cc1Br 2256016644 LLGADWNQLRJSQU-UHFFFAOYSA-N 315.211 2.092 10 10 DECE Cn1cccc1C=C1SC(=S)N(CCCC(=O)O)C1=O 2293039475 BCHGGUQQEBAARH-UHFFFAOYSA-N 310.400 2.091 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H](N)c2ccccc2)cc1F 178740839 KKDGPTFDJDRLSE-MRXNPFEDSA-N 301.365 2.208 10 10 DECE Oc1ccc(F)cc1CN1CCCN(c2cccnn2)CC1 180092214 ITFDCVRSEKHGER-UHFFFAOYSA-N 302.353 2.034 10 10 DECE C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 261545403 JWGMFJQAYFJBGZ-HNNXBMFYSA-N 311.429 2.448 10 10 DECE CO[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 187824594 YIDVGAYCEOGDFG-GOEBONIOSA-N 305.422 2.462 10 10 DECE CC[C@H](C)CN(CC)S(=O)(=O)CCOc1ccc(N)cc1 93250341 LZNAAELISFKGPC-ZDUSSCGKSA-N 314.451 2.345 10 10 DECE NCc1ccc(N2C[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 2163292829 VQMHCLRTOXNKJK-NXEZZACHSA-N 308.731 2.406 10 10 DECE C[C@]1(C(=O)NCc2cc(Br)ccc2O)CCCO1 804736076 NFNOTSAUVHPVBF-CYBMUJFWSA-N 314.179 2.340 10 10 DECE CNC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 817415825 ZYXVJELLZNUAQD-INIZCTEOSA-N 301.434 2.245 10 10 DECE Oc1cc(Br)cc(I)c1O 575686292 LEXCUIMMOMZRKO-UHFFFAOYSA-N 314.904 2.465 10 10 DECE C[C@H]1CC[C@@H](NCc2cccc(Cl)c2O)CS1(=O)=O 827173747 ZZXSZDNDMSZEHS-GXSJLCMTSA-N 303.811 2.101 10 10 DECE CCN(CC)c1ccc(CN[C@@H]2CCO[C@@H]2C(=O)O)cc1F 901919691 RTFPJAWDTIFYDV-HIFRSBDPSA-N 310.369 2.004 10 10 DECE CCOc1ccc(CN[C@H]2CNCC3(CCOCC3)C2)c(O)c1 903973206 BGERSWRQKHGXKL-OAHLLOKOSA-N 320.433 2.039 10 10 DECE CC[C@H]1COCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 734482839 JHOJZQZOCNDOIR-VGVVRCBHSA-N 320.345 2.396 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2CN3CCC[C@H]3CO2)cc1 835037264 IZNOSXCIMSYNCQ-FBDDWCLBSA-N 315.461 2.219 10 10 DECE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cccc(O)c1O 846333116 YHHJSMRTGUPDAG-ZYHUDNBSSA-N 321.373 2.433 10 10 DECE C/C(=C\c1ccncc1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 848394048 MHLUTPMPBNCTFY-SZEUEKNRSA-N 324.428 2.367 10 10 DECE CC(=O)C(=O)c1cc(Br)cnc1Br 1951939207 DQYXJIYPNSGYTN-UHFFFAOYSA-N 306.941 2.378 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)C(C)(C)C1 840915695 FDJZGWPQRVMMDG-UHFFFAOYSA-N 310.463 2.070 10 10 DECE Cc1cc(Br)cc([C@@H](C)N[C@@H]2CNOC2)c1O 925862679 XNVSVJPGDLZGEW-PSASIEDQSA-N 301.184 2.017 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C)C2)cc1 852454671 QMWQUXHNFXCRJH-KGLIPLIRSA-N 303.406 2.468 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C1CC(N)C1 1952670105 MMUPAIOAAMVEMS-BPCQOVAHSA-N 322.405 2.271 10 10 DECE CO[C@H](CNCc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 850342090 HNFHCTXOMMKDJL-TVQRCGJNSA-N 303.761 2.326 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1NCC[C@H]1C(=O)O 1953058558 KXEKZGANKDITTE-NOZJJQNGSA-N 322.361 2.474 10 10 DECE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@H](CF)[C@H]1O 1899864379 KSMMCGOXUKDSFQ-KZNAEPCWSA-N 317.360 2.146 10 10 DECE C/C=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769123269 YIDWCACULNONLW-NSCUHMNNSA-N 313.445 2.411 10 10 DECE Cc1c(CNC(=O)NC[C@H]2CCC[C@H]2O)n(C)c2ccccc12 956955979 XNSGOFSXBXDBSR-CXAGYDPISA-N 315.417 2.447 10 10 DECE CC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1O 890758426 XQPUAAUBMBPDEU-ZDUSSCGKSA-N 310.781 2.063 10 10 DECE COc1ccc(CN2CCC[C@@](O)(C3CC3)C2)c(O)c1OC 895366872 PSHSYAFIFINXIN-KRWDZBQOSA-N 307.390 2.146 10 10 DECE 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317.477 2.439 10 10 DECE Cc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C#N 387452071 LQPHCNPQCIHPPW-UHFFFAOYSA-N 323.761 2.422 10 10 DECE CC(=O)C(=O)COC(=O)CCn1ccc2cc(Cl)ccc21 808531286 OVDVGQURSATAGX-UHFFFAOYSA-N 307.733 2.386 10 10 DECE COC(=O)[C@@H](CF)NCc1cc(Br)cc(C)c1O 290218137 RICOAJCNOURKPT-SNVBAGLBSA-N 320.158 2.064 10 10 DECE C[C@@H](CCNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2166588580 LHKHHRRSSHNUTB-VIFPVBQESA-N 310.341 2.277 10 10 DECE Cc1cc(CN2CCN3C(=O)OCC[C@@H]3C2)ccc1N(C)C 815077902 IDWGYAIAADYZSG-OAHLLOKOSA-N 303.406 2.088 10 10 DECE CCOc1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(O)c1 824655187 UQICWWXTCICYJJ-UXLLHSPISA-N 321.417 2.153 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H](C)[C@H]3C[C@H]3C(=O)O)C2)cc1 902377001 BQBJKGDUBJSLSJ-BQGCOEIASA-N 318.417 2.220 10 10 DECE CNC(=O)C1(NC/C=C\c2ccc(N(C)C)cc2)CCCC1 835046317 QNCPHZKRPXOBNB-SREVYHEPSA-N 301.434 2.414 10 10 DECE CCN(Cc1csc(CC(=O)NC)n1)c1ccc(OC)cc1 749153601 LUEFYMCDQDYVNB-UHFFFAOYSA-N 319.430 2.467 10 10 DECE 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797819327 FXUDOTSMIXDDAR-UHFFFAOYSA-N 307.371 2.385 10 10 DECE CCOC(=O)CCCOc1ccc(N(C)C)c(C(=O)OC)c1 1166714302 RGOARBGKLAINTG-UHFFFAOYSA-N 309.362 2.261 10 10 DECE Cc1cnc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)[nH]1 1168832550 BCTQOQIZDLWEMD-UHFFFAOYSA-N 309.373 2.451 10 10 DECE CC[S@](=O)c1ccccc1C(=O)NCc1c(O)cccc1O 1178905145 JHXHUBQMHSFWEY-QFIPXVFZSA-N 319.382 2.155 10 10 DECE CCC[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348628162 BNINNZUEOQKYBB-ZDUSSCGKSA-N 316.401 2.273 10 10 DECE COc1ccc(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)s1 1912179172 RXLVYFAMPQYWMO-MRVPVSSYSA-N 302.381 2.220 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)CC1CCCC1 1448240277 AEARJLYYXGOQPA-IZPAUZPXSA-N 305.374 2.168 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H]1CCN(C2CCCCC2)C1 1520508634 IADDYZWRWPCUBY-CQSZACIVSA-N 318.417 2.369 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)C2(C(C)C)COC2)cc1 1461336042 GRVQYCIGPSVBPQ-UHFFFAOYSA-N 320.433 2.262 10 10 DECE C[C@H](NC(=O)CCN1C(=O)CSC1=S)c1ccccc1 1865764824 CESZIBULNNRBMH-JTQLQIEISA-N 308.428 2.114 10 10 DECE CC(C)c1nc(NCc2cc(O)ccc2O)nc(N(C)C)n1 1472869513 WENBPGYXMVZQDZ-UHFFFAOYSA-N 303.366 2.084 10 10 DECE CN[C@H](c1ccccc1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1922465727 ZIOOOGGYEQOVSU-RHSMWYFYSA-N 322.405 2.025 10 10 DECE O=C(NCc1c(O)cccc1F)c1ncnc2sccc12 1638864055 SEZKRQMVMVOPLX-UHFFFAOYSA-N 303.318 2.466 10 10 DECE CN(Cc1ccccc1O)C(=O)NCc1ccc2nonc2c1 1684588978 HJJMBQYFOCAFTC-UHFFFAOYSA-N 312.329 2.270 10 10 DECE CCCNCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1699556091 RMQUOHYUNFTVLU-UHFFFAOYSA-N 305.382 2.311 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1CCS(=O)(=O)[C@H](C)C1 2138553991 SUVGMBXTXKZZOD-NXEZZACHSA-N 303.811 2.226 10 10 DECE Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(O)CO 14719956 TZHMQUSSYNZSTA-SFHVURJKSA-N 312.321 2.150 10 10 DECE biogenic,in-vitro CN(Cc1ccc(N)cc1)C(=O)/C(Cl)=C(/Cl)C(=O)O 2139069944 WGPVTKWAVMCJSR-KTKRTIGZSA-N 303.145 2.001 10 10 DECE OC[C@H]1CC[C@@H](NCc2c(O)cccc2Br)C1 1942376285 YKDLCDDQRHTNFQ-VHSXEESVSA-N 300.196 2.405 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNCc1ccc(O)cc1O 1982120060 VGCSRPOSCXABOI-QWHCGFSZSA-N 322.405 2.348 10 10 DECE C[C@@H]1[C@@H](NCCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C 1985753455 RVAVTVPCSNFWDW-YPMHNXCESA-N 322.405 2.238 10 10 DECE NCc1ccc(N2CCO[C@@H](CF)C2)cc1Br 2004599318 CYZKOUUFGNEZID-NSHDSACASA-N 303.175 2.083 10 10 DECE CNCc1ccc(N2C[C@@H](O)C3(CC3)C2)cc1Br 2032398134 REQVAMBJRQWQOO-CYBMUJFWSA-N 311.223 2.130 10 10 DECE Cc1csc([C@H](C)NS(=O)(=O)Cc2ccc(N)cc2)n1 80259522 GLJROVNBOFNBFF-JTQLQIEISA-N 311.432 2.214 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Cl 688603891 XRBSLSPDHYGJEE-ZJUUUORDSA-N 305.827 2.263 10 10 DECE C[C@@H](c1ccc(F)cc1O)N1CCC[C@@H](S(C)(=O)=O)C1 380280981 BXQCJKMBLACCDJ-CMPLNLGQSA-N 301.383 2.101 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)Cc1csc(Cl)c1 380874397 HXSCYSBOIWVSOF-UHFFFAOYSA-N 309.822 2.471 10 10 DECE CCn1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1C 2064776392 GKHKTTALVFCVPM-LLVKDONJSA-N 303.362 2.417 10 10 DECE Nc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(F)c1 2191764883 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C[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCO1 852790764 BDRNZDLAJGDFFF-XOKHGSTOSA-N 319.449 2.074 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(N2CCCCCC2)cc1 924246229 AZYGXBRUEVBBPS-UHFFFAOYSA-N 303.358 2.382 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cn(C)nc3C)C2)cc1 850347625 VBKRDMMQHGFSHI-OAHLLOKOSA-N 300.406 2.106 10 10 DECE Cc1ccc(C(=O)N2CCC[C@H](c3ccn(C)n3)C2)c(O)c1O 928193935 RGFJYVOMTOFELQ-LBPRGKRZSA-N 315.373 2.160 10 10 DECE CCON(CC)C(=O)CNCc1c(O)ccc(Cl)c1F 858220236 PROGHZGQPQZFQT-UHFFFAOYSA-N 304.749 2.074 10 10 DECE C[C@@H]1C[C@@H](N[C@H](CO)c2ccnn2C)c2c(O)ccc(F)c21 858435150 XDRMZDHIULDKKF-YUSALJHKSA-N 305.353 2.136 10 10 DECE COc1ccc(N2CC[C@H](NCc3cnn4c3CCC4)C2)cc1 850347596 UNHVXQISXRPMRX-HNNXBMFYSA-N 312.417 2.206 10 10 DECE C[C@H](N[C@H]1CC[C@@H](C)NC1)c1ccc(N2CCOCC2)c(F)c1 863545162 JQBBTHAQHFYOGM-YCPHGPKFSA-N 321.440 2.453 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 935943846 GHYSNJKQKCCSGZ-MQIPJXDCSA-N 310.390 2.309 10 10 DECE 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CCNCc1ccc(N2CCSC[C@@H]2CO)c(Cl)c1 387946635 AAMJGJAHPQWNFL-LBPRGKRZSA-N 300.855 2.364 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)cc1Br 2051366203 KPTDFDFESFUACB-PKFCDNJMSA-N 311.223 2.430 10 10 DECE CC[C@H]1CN(c2ccc(CN)cc2Br)C[C@H]1CO 2084988403 ILBBVNDZWTYJMW-RYUDHWBXSA-N 313.239 2.363 10 10 DECE OCC[C@@H]1CN(c2ccc3c(c2)OC(F)(F)O3)CCS1 2235066603 HAUTVPZULHRFAA-SNVBAGLBSA-N 303.330 2.312 10 10 DECE CC[C@@H]1[C@H](O)CCN1c1cc(Br)c(CN)cc1F 2260415000 MMLXFMQNEHNMBM-DGCLKSJQSA-N 317.202 2.397 10 10 DECE c1ccc(COc2ccc(N3CC(N4CCNCC4)C3)cc2)cc1 2299497581 RIQNPTARFZYVAZ-UHFFFAOYSA-N 323.440 2.359 10 10 DECE Cc1ccc(CNC[C@H]2C[C@H](O)C2)c(O)c1Br 2307482218 NOYCTMKQUXHKGQ-HOMQSWHASA-N 300.196 2.324 10 10 DECE OCc1ccc(N2CC(n3cc(Br)cn3)C2)cc1 2314814088 LUBOXBXPJZJKIS-UHFFFAOYSA-N 308.179 2.199 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H]1CCCO1 115854829 JGXPYBASXRAWFN-INIZCTEOSA-N 305.422 2.381 10 10 DECE CC[C@@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 301312787 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2.275 10 10 DECE Cc1cc(O)c(CNC2(CCO)CCN(C)CC2)c(Cl)c1 848558103 JSUJSAYYXBUGKH-UHFFFAOYSA-N 312.841 2.290 10 10 DECE C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)O 741091956 LTNNBNGHWUYWOQ-CYBMUJFWSA-N 303.406 2.021 10 10 DECE COc1ccc(N2CCC(N[C@H]3CCC3(OC)OC)CC2)cc1 924904503 BQAOICPUNYEYSM-KRWDZBQOSA-N 320.433 2.405 10 10 DECE COc1ccc(O)c([C@@H](C)N[C@@H]2CNCC3(CCOCC3)C2)c1 925791633 MKQHDWRZSRZDRE-KGLIPLIRSA-N 320.433 2.210 10 10 DECE COc1ccc([C@@H]2[C@@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952307673 CBCBUOROBOAUSF-GXTWGEPZSA-N 308.378 2.410 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O 930973400 VKBGFOZVWOTVQD-HUUCEWRRSA-N 302.418 2.180 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C 868899159 RUFHAGYVQUOWMI-WOSRLPQWSA-N 305.422 2.426 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2cncnc2)c1 863865586 HHDJZXONSSTXPQ-GHMZBOCLSA-N 301.346 2.172 10 10 DECE C[C@@H]1C[C@H]1c1nnc2ccc(N3Cc4cccc(O)c4C3)nn12 866117446 NXYLDIGVMKGDON-ZYHUDNBSSA-N 307.357 2.474 10 10 DECE CC[C@H](O)CCNCc1c(Br)ccc(OC)c1O 1964042213 FKCOQYXZIINJER-VIFPVBQESA-N 318.211 2.414 10 10 DECE Cc1ccc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)c(O)c1O 871437202 DHCNKCDSNPCJAS-CYBMUJFWSA-N 319.279 2.200 10 10 DECE CC[C@@H](CNCc1c(O)cccc1Br)C(=O)OC 895139477 LWWYCKMRNHJLGJ-VIFPVBQESA-N 316.195 2.444 10 10 DECE C[C@@H](NC(=O)Nc1ccc[n+]([O-])c1)c1ccc(N(C)C)cc1 1347837481 VCIOBHKIKMDPRI-GFCCVEGCSA-N 300.362 2.269 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC12CC2 1351395743 RONHJHQEAYMIPQ-AWEZNQCLSA-N 316.401 2.047 10 10 DECE C/C(=C\C(=O)N1CCC(=O)N(C)c2ccccc21)c1cnccn1 1522930035 UHSKPVGCLIOOPQ-ACCUITESSA-N 322.368 2.280 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc3c(N)ncnc3c2)cc1 1463725928 PRDSNNSYUIXJDA-UHFFFAOYSA-N 321.384 2.208 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCOc2cccc(F)c2C1 1467471795 SRAMKXLYXRCKSU-UHFFFAOYSA-N 317.316 2.201 10 10 DECE O=C(NCc1ccnc(C(F)(F)F)c1)c1cccc(O)c1O 1556672783 AHDDTNAYUPLKEO-UHFFFAOYSA-N 312.247 2.442 10 10 DECE Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O 1626838387 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VFJRJPSYVNCIOX-UHFFFAOYSA-N 310.195 2.421 10 10 DECE COC12CC(C1)N(c1ccc(CN)c(Br)c1F)C2 2065698918 BXHAQRGTOZVRIO-UHFFFAOYSA-N 315.186 2.415 10 10 DECE CO[C@@H]1COC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 2097871209 PVVKTQMNMAXEPX-JOYOIKCWSA-N 306.189 2.450 10 10 DECE COc1ccc(Cl)cc1-c1noc(-c2nnsc2N)n1 2201442965 LOSINMGZBWVMFL-UHFFFAOYSA-N 309.738 2.499 10 10 DECE CN1CCc2cc([C@](N)(CF)CNC(=O)OC(C)(C)C)ccc21 2242766301 UFLQKFNBKNUGRV-KRWDZBQOSA-N 323.412 2.327 10 10 DECE Cn1cc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 114362589 ZRGFSFAJNALKHM-APHBUQMISA-N 312.373 2.041 10 10 DECE NCC[C@H](N)c1c(Br)ccc(Br)c1O 306577661 LNYXHLNJIKPUPP-ZETCQYMHSA-N 324.016 2.266 10 10 DECE NC(=S)c1ccc(NC(=O)c2cccc(O)c2O)c(F)c1 126163212 XQTVSFHOEVITKA-UHFFFAOYSA-N 306.318 2.123 10 10 DECE CC(C)(C)OC(=O)NC[C@H](NCc1ccc(O)c(O)c1)C1CC1 226758035 NIHGDHDIIYTKHI-ZDUSSCGKSA-N 322.405 2.491 10 10 DECE O=C(O)CCN(CCCO)Cc1cc(Cl)cc(Cl)c1O 2368563880 ORAITCFCOBZSIW-UHFFFAOYSA-N 322.188 2.358 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC(C)(C)O1 362603128 MCRANZVDMSXYDH-AWEZNQCLSA-N 304.390 2.436 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC1(C)C 297967619 YNHDCWIDIUUUHD-HNNXBMFYSA-N 305.422 2.462 10 10 DECE CN(Cc1ccccc1O)c1cc(N)c([N+](=O)[O-])c(CO)c1 804578330 NTHSGTHRWGHPHY-UHFFFAOYSA-N 303.318 2.011 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)C[C@@H]2C[C@@H]2C(F)(F)F)CC1 2164680600 YICUUDCGICCCDG-CBAPKCEASA-N 312.317 2.289 10 10 DECE CC[C@H]1C[C@H](NC(=O)NCc2ccc(OC)cc2O)CCO1 817176606 JOFVECVWHJSZIR-OLZOCXBDSA-N 308.378 2.158 10 10 DECE NC(=O)[C@@H]1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1 816553541 ZBBRFAQJFQYOAD-SCZZXKLOSA-N 300.761 2.318 10 10 DECE CCn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 816682208 RPJDUODBFZARRC-UHFFFAOYSA-N 315.160 2.240 10 10 DECE COc1cccc(CNC(=O)c2cccc(OC)c2O)c1O 729861398 LKLIULUCNYHVRP-UHFFFAOYSA-N 303.314 2.045 10 10 DECE C[C@@H](CN1CCCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 588406367 ZRMIRCPRCUBHIE-WOLRVDTOSA-N 304.390 2.102 10 10 DECE CC[C@@H](NC[C@@H]1CCCCN1CCO)c1ccc(F)cc1O 834849858 GWCFNSPJUISQBB-GOEBONIOSA-N 310.413 2.419 10 10 DECE Cc1ccc(C(=O)N[C@@H](C2CCOCC2)C2CC2)c(O)c1O 846420482 PNLREVULSCJWFW-CQSZACIVSA-N 305.374 2.341 10 10 DECE C[C@H](NCC[C@@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 846191249 BBIQFBLQTWNOQM-SCLBCKFNSA-N 305.418 2.463 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC23CC3)cc1 846717758 IFYXTQBUSVLNBL-OAHLLOKOSA-N 303.406 2.325 10 10 DECE C[C@H]1C[C@H](NCCN2CCC(N)CC2)c2c(O)ccc(F)c21 925811313 HXMWKJAPOJGULZ-FZMZJTMJSA-N 307.413 2.092 10 10 DECE CC(=O)c1cc(F)cc(CN2CCSC[C@H]2CCO)c1O 759726833 HTBRNTXREIKZED-CYBMUJFWSA-N 313.394 2.034 10 10 DECE CCn1nccc1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 850346121 CQEHECDHQDDHRK-CQSZACIVSA-N 300.406 2.280 10 10 DECE Cc1cc(Cl)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O 862513495 HVJCAXCSNDFGBW-BXKDBHETSA-N 303.811 2.019 10 10 DECE Cc1cc(O)c(CNC2CN(c3ccncn3)C2)c(Cl)c1 865747406 PRWOKTPCQVXCFU-UHFFFAOYSA-N 304.781 2.122 10 10 DECE COc1ccc(O)c([C@H](C)NC(=S)NCc2cc(C)on2)c1 865230746 PGLAXCDOCYEKMH-JTQLQIEISA-N 321.402 2.423 10 10 DECE CN(Cc1ccccc1O)C(=O)c1ccn(C2CCOCC2)n1 860047534 GYFZJGDPVSRHOD-UHFFFAOYSA-N 315.373 2.212 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)CCC23CC(CN2)C3)c1 870882011 RKXNBZMEZRGFQY-ZBFVHZJFSA-N 304.390 2.110 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCCO)c1ccccc1 1137517256 HCESHAGTLREIJY-HNNXBMFYSA-N 315.369 2.270 10 10 DECE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@H]1N(C)C 300295894 SOGGBVXVVXXTNM-QMTHXVAHSA-N 312.255 2.294 10 10 DECE COc1ncc(/C=C/C(=O)N(C)c2cccc(Cl)n2)cn1 1524841001 CUPFYXBRVYFMKO-VOTSOKGWSA-N 304.737 2.210 10 10 DECE NCc1cc(F)c(N2CC3(CCOC3)C2)cc1Br 1915828489 PKOPFOHHCVEDAV-UHFFFAOYSA-N 315.186 2.274 10 10 DECE COc1ccc(N2CCC3(C2)CC2(C3)OCCO2)c([N+](=O)[O-])c1 1917313000 WXSBJEDFKOXHJJ-UHFFFAOYSA-N 320.345 2.337 10 10 DECE C[C@@H](NC(=O)NCc1ccc2nonc2c1)c1ccccc1O 1471539922 GNXWQIOWVUWQER-SNVBAGLBSA-N 312.329 2.489 10 10 DECE CNC(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 1557552300 GCDRLXYZOGPHAA-UHFFFAOYSA-N 313.357 2.382 10 10 DECE O=C(NCc1c(O)cccc1O)[C@]1(c2ccccc2)CCCO1 1639293014 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COCCN(CCC(=O)OC)Cc1c(O)cc(C)cc1Cl 840915155 LMFUAQMSCZETRN-UHFFFAOYSA-N 315.797 2.366 10 10 DECE COc1cc(C)nc(CNC[C@@H](N)c2ccc(N(C)C)cc2)c1 841041723 AVMVTSKGSYVEOS-GOSISDBHSA-N 314.433 2.254 10 10 DECE C[C@H](NCC[C@@H](C)[S@](C)=O)c1cc([N+](=O)[O-])ccc1O 756760458 JNGFDGBLCPGMOK-ARNPGYACSA-N 300.380 2.108 10 10 DECE COc1cccc(O)c1CNCc1ccc(CNC(C)=O)cc1 850343167 QNIBXYTVHPVOFJ-UHFFFAOYSA-N 314.385 2.327 10 10 DECE Oc1cc2c(cc1CN1CC[C@H](Cn3ccnn3)C1)CCCC2 853525799 SYYATFDELWBDBF-AWEZNQCLSA-N 312.417 2.385 10 10 DECE COC(=O)[C@@H]1C[C@H]1[C@H](C)NCCCSc1nccs1 850144314 JCYUVFLBROKHMF-GARJFASQSA-N 300.449 2.413 10 10 DECE CO[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 852791832 NHTWAGODDXFPLZ-IAGOWNOFSA-N 319.449 2.074 10 10 DECE C[C@@H](NCCO[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1O 850520680 FXSHWSVXEGXVAO-PRHODGIISA-N 302.277 2.375 10 10 DECE COc1ccc(O)c([C@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1 1952762413 LTISTTMQMYIDJZ-BDJLRTHQSA-N 323.345 2.225 10 10 DECE Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 758062384 JXUJUNOJUFFWTL-GDNBJRDFSA-N 323.308 2.365 10 10 DECE COc1ccc(N2CC[C@H](NCc3cncc(OC)c3)C2)cc1 850347782 XKZCXFLRHNYXHA-HNNXBMFYSA-N 313.401 2.467 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2ncc(C)cc2O)c1 779001071 QQYUGVSUGWLWEN-JTQLQIEISA-N 302.330 2.301 10 10 DECE C[C@@H](NC(=O)c1cc(C2CCNCC2)no1)c1ccccc1O 870987684 AGBMXIPMMSFPIF-LLVKDONJSA-N 315.373 2.338 10 10 DECE Oc1ccc(F)cc1CNC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 787304906 SYFZVFQPWIICJZ-PBLWTQDTSA-N 315.388 2.130 10 10 DECE C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 785432428 BWZJTOPUNDNCRX-ZIAGYGMSSA-N 317.433 2.016 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccsc1Br 707048632 YGSROLVCKOWBOP-SSDOTTSWSA-N 318.200 2.327 10 10 DECE Oc1cc(Br)ccc1CN[C@H]1CN2CCC1CC2 691461347 GPKVRHABQDTMHK-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE COc1cc(N2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OC 1162828157 KKANVTAKZKYGJU-UHFFFAOYSA-N 308.334 2.371 10 10 DECE CCNCc1ccc(N2CC[S@](=O)[C@H](C)C2)c(Cl)c1 2115330474 ZOOWMQLXKZLREI-WYRIXSBYSA-N 300.855 2.407 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc(-c2ncon2)cc1 1176564824 FYDPWFBCQIVTJP-UHFFFAOYSA-N 311.297 2.078 10 10 DECE [N-]=[N+]=NCCCS(=O)(=O)c1cncc(Br)c1 1912202113 BSAGAABBACLWLU-UHFFFAOYSA-N 305.157 2.318 10 10 DECE CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 1354604123 OKYDWFVINQNMGD-HUUCEWRRSA-N 320.433 2.201 10 10 DECE C[C@H](CO)N(Cc1ccccc1)c1ccc(CO)cc1[N+](=O)[O-] 1914222194 XNTYCPPMFMVUMH-CYBMUJFWSA-N 316.357 2.475 10 10 DECE C[C@H]1[C@@H](O)CCN1c1cc(Br)c(CN)cc1F 1914281938 GLMRKNAPKPNSOD-MADCSZMMSA-N 303.175 2.006 10 10 DECE CN(C)c1ccc(CNC(=O)Cc2ccnc(F)c2)cc1F 1292277768 FYVXGDBSMMVWLI-UHFFFAOYSA-N 305.328 2.285 10 10 DECE CO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C12CCC2 1468089941 HXGXVSPPEJFKCB-LSDHHAIUSA-N 305.374 2.056 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@]23C[C@H]2COC32CCC2)cc1 1472038848 DJTABSGWZLPGDQ-MEDUHNTESA-N 314.345 2.290 10 10 DECE CC(=O)N(C)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 1557532801 MAOGKMWGIKJPAD-UHFFFAOYSA-N 314.341 2.011 10 10 DECE COc1cc(C(=O)NCc2ccc3cccnc3c2O)sn1 1570533555 HWFLBDHORPGPEE-UHFFFAOYSA-N 315.354 2.336 10 10 DECE O=C(c1cccc(O)c1O)N1CCN(c2cccc(F)c2)CC1 1648340942 ANBRGUWAFHVJMP-UHFFFAOYSA-N 316.332 2.199 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)CCCO1 152011141 ZOBDEGANNQGEKJ-SFHVURJKSA-N 318.417 2.051 10 10 DECE C[C@H](NC(=O)NCCCSc1nccs1)[C@H]1CCCO1 152379163 LIOTZSPPCQASBS-WDEREUQCSA-N 315.464 2.492 10 10 DECE CC1(C)C[C@@H](NCc2cccc(Cl)c2O)CCS1(=O)=O 2144173090 GVMQTVMSAGJJFX-NSHDSACASA-N 317.838 2.491 10 10 DECE NCc1cc(F)c(N(CC(N)=O)Cc2ccccc2)cc1Cl 1974826368 NOTWDIMIWGWZPK-UHFFFAOYSA-N 321.783 2.430 10 10 DECE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1977672818 QMSXUMAMEPSCIK-AWEZNQCLSA-N 321.421 2.231 10 10 DECE CCN[C@H](C)c1ccc(N(CCO)CCOC)cc1Cl 164364587 ACKQIGSORMOHBK-GFCCVEGCSA-N 300.830 2.456 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(C(F)(F)F)ns1 2155003174 LKRFXWKUODPNJR-ZETCQYMHSA-N 309.273 2.276 10 10 DECE CCNCc1ccc(N2C[C@H](O)[C@H](F)C2)cc1Br 2031916954 VHTMLJMLSKZDPC-OLZOCXBDSA-N 317.202 2.078 10 10 DECE Cc1ncc(Br)c(NCc2cc(N)ccc2O)n1 322949884 KHIQGPKMHQMRNL-UHFFFAOYSA-N 309.167 2.447 10 10 DECE CCCNC(=O)[C@H](C)NCc1ccc(Br)cc1O 691487868 LQCTZYNRAPBWPD-VIFPVBQESA-N 315.211 2.159 10 10 DECE CCOC(=O)c1ccnn1[C@H](C)c1cc([N+](=O)[O-])ccc1O 2069964902 KDJYVZVYQLOTFF-SECBINFHSA-N 305.290 2.283 10 10 DECE CON(CCC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C 1182625386 LBQQYMSDOYHKQE-UHFFFAOYSA-N 324.377 2.197 10 10 DECE CCOC(=O)C1(NCCCN=[N+]=[N-])CCP(C)(=O)CC1 2193551611 XBGBLGMUWJBMPI-UHFFFAOYSA-N 302.315 2.365 10 10 DECE COC[C@@]12C[C@H]1CN(c1ccc(CN)cc1Br)C2 2046793737 MSJXYPURGYISOP-FZMZJTMJSA-N 311.223 2.381 10 10 DECE NCc1ccc(N2CCC[C@@H]2C2(O)CC2)cc1Br 2066926916 RHOQQLPEDRNNIB-CYBMUJFWSA-N 311.223 2.402 10 10 DECE CSc1ncc(CN=c2cc(C(F)F)[nH]c(=N)[nH]2)s1 2269320118 XDVGUOWNGGGGEV-UHFFFAOYSA-N 303.363 2.039 10 10 DECE COc1ccc(Br)c(CN2CCC[C@@H](N)C2)c1O 2220450949 POOKXZRNJUOPLR-SECBINFHSA-N 315.211 2.086 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2244379648 WESHJUQTHFMFKM-IJLUTSLNSA-N 323.397 2.401 10 10 DECE CCN[C@H](c1ccccc1O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 2244716902 IHOAIJGHCMPYRH-LSDHHAIUSA-N 324.421 2.271 10 10 DECE O=C(C=Cc1ccc(N2CCOCC2)cc1)OC[C@@H]1CCCO1 2297507204 TUECPUVZKXOGHG-KRWDZBQOSA-N 317.385 2.259 10 10 DECE OCc1ccc(N2C[C@H]3C[C@H](CO)[C@H]3C2)cc1Br 2309712739 CQEVAVBBRNEDPK-WZRBSPASSA-N 312.207 2.006 10 10 DECE Cc1cnn(C[C@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 180129995 CAJLPJBITFMBGC-CQSZACIVSA-N 321.808 2.452 10 10 DECE CC(C)(C)CCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 290489437 JCTYMJQATHUDKQ-UHFFFAOYSA-N 302.352 2.478 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)C(C)C 807099609 AOZIPMOBYHKSHE-AWEZNQCLSA-N 319.449 2.086 10 10 DECE Cc1cc(Cl)cc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O 827173285 WEYVXRKNDQUYBM-GWCFXTLKSA-N 317.838 2.409 10 10 DECE O=C(NCc1ccccc1O)N[C@@H](C1CCOCC1)C1CC1 844939901 QXUGSBYHPGNKNU-MRXNPFEDSA-N 304.390 2.397 10 10 DECE O=C(NCCCSc1nccs1)c1cn(C2CCC2)nn1 843795911 FJPJPOWCOGDBTJ-UHFFFAOYSA-N 323.447 2.372 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)C1(O)CCC1 929296736 QZCSACVZBGVMLB-KRWDZBQOSA-N 306.450 2.239 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCOC[C@H]3C)C2)cc1 855226926 UUOOXZUGAAWQEG-JKIFEVAISA-N 318.417 2.063 10 10 DECE C[C@@H]1C[C@H](NC[C@@]2(CCO)CCOC2)c2c(O)ccc(F)c21 756654606 LBVQQAZBKWLJEJ-BTJLNZGRSA-N 309.381 2.458 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)c2cnc[nH]2)c1 857116518 HVUVTWIYZNIYLZ-JTQLQIEISA-N 303.362 2.279 10 10 DECE O=C(O)/C=C/c1ccc(N2CC3(COC3)C2)c(Br)c1 697121780 UODFNMMUXAPCLE-DUXPYHPUSA-N 324.174 2.384 10 10 DECE O=S(=O)(CC1CC(F)(F)C1)N1Cc2cccc(O)c2C1 867691282 UTVJYPICIWHFFS-UHFFFAOYSA-N 303.330 2.083 10 10 DECE CCN(C)c1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 773755020 TUPWXENEXUQQHT-OAHLLOKOSA-N 310.463 2.009 10 10 DECE CCO[C@@H]1COCC[C@@H]1Cc1nc(Cc2ccc(N)cc2)no1 872170082 CBLRMECEJBFNTC-UKRRQHHQSA-N 317.389 2.227 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]12C[C@H]1COC21CCC1 890173399 KSTPUFHRCUODEY-GZZOKXEQSA-N 315.369 2.186 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1[N+](=O)[O-] 790916947 XGTVHLFYNOAZQS-SECBINFHSA-N 302.286 2.497 10 10 DECE COc1ccc2c(c1)CCCCN2Cc1nc(N(C)C)no1 799146406 BNPWUXQQDVWPTF-UHFFFAOYSA-N 302.378 2.487 10 10 DECE O=C(O)[C@H]1CCN(Cc2c(O)cccc2Br)C1 706674417 VYAIHWXRTDULLB-QMMMGPOBSA-N 300.152 2.061 10 10 DECE COc1ccc(CNC(=O)Nc2cnn(C)c2C2CC2)c(O)c1 797645266 DZUAJFDJOKHFCF-UHFFFAOYSA-N 316.361 2.333 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2nc(C3CC3)no2)cc1 1142393730 ZWNNAFRDWXWHIQ-UHFFFAOYSA-N 314.305 2.039 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOc2c(F)cccc21 1148021770 TUQQKOXGFHEHKI-ZDUSSCGKSA-N 317.316 2.419 10 10 DECE Nc1ccc(OCC(=O)Nc2ncccc2Br)cc1 88446750 BZEWVSILHHHCHH-UHFFFAOYSA-N 322.162 2.444 10 10 DECE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCCCC1 1329775567 QCBBQSRUZSOGFN-UHFFFAOYSA-N 316.401 2.416 10 10 DECE CN(C)c1ccc(C=CC(=O)N2CCC3(CC2)OCCO3)cc1 1911895214 OROUDYSBHOYPNS-UHFFFAOYSA-N 316.401 2.131 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncnc2ccsc12 1445902462 QSLMUQFVJOJURG-UHFFFAOYSA-N 301.327 2.033 10 10 DECE C[C@H](CO)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1469871177 FSDVOIBBIKVHOR-LLVKDONJSA-N 318.377 2.330 10 10 DECE O=C(NCc1c(O)cccc1F)[C@H]1COc2ccccc2C1 1558455768 QRQHTJGNAAFNQZ-GFCCVEGCSA-N 301.317 2.399 10 10 DECE O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccccc1O 1630363254 LAPMHTYLKGUKEF-UHFFFAOYSA-N 304.277 2.298 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N1CCS(=O)(=O)[C@H](C)C1 2138553994 SUVGMBXTXKZZOD-ZJUUUORDSA-N 303.811 2.226 10 10 DECE COC(=O)CCN(C(=O)Cc1ccc(N)cc1)c1ccccc1 1866324261 QEXFGRGHXSHUML-UHFFFAOYSA-N 312.369 2.408 10 10 DECE Cc1cccc(O)c1CNC[C@](C)(CO)NC(=O)OC(C)(C)C 1876129295 WPROVPCUTQOEAL-QGZVFWFLSA-N 324.421 2.066 10 10 DECE C[C@H](COC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1962165564 WCUDQHQJNQJMJQ-YPMHNXCESA-N 310.394 2.322 10 10 DECE Nc1ccc(CNC[C@@H]2COCCN2Cc2ccccc2)cc1 1990431907 QJKITFXISDFGKK-LJQANCHMSA-N 311.429 2.259 10 10 DECE CCNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Cl)c1 707149815 CGDOPDCRRVHRGR-NSHDSACASA-N 316.854 2.073 10 10 DECE NCc1ccc(N2CCS[C@H](CO)C2)c(C(F)(F)F)c1 720005708 XYDMGAJSXHBFDF-JTQLQIEISA-N 306.353 2.078 10 10 DECE CN(CCCF)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 716738449 TZPZGKYYRBIVMD-LLVKDONJSA-N 317.158 2.230 10 10 DECE O=C(C[C@@H]1CCC[C@H]1O)NCc1c(O)ccc2c1CCCC2 2065226297 QVIXTTFYJKZLGL-XJKSGUPXSA-N 303.402 2.438 10 10 DECE C[C@H](CO)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2063621768 BCIDUXQDYIOKMT-ZCFIWIBFSA-N 314.190 2.069 10 10 DECE C[C@H](N)c1cc(F)c(N2CC(C)(C[S@@](C)=O)C2)c(F)c1 2194694623 MSBCQOIHCPHALT-GWNMQOMSSA-N 302.390 2.189 10 10 DECE Oc1ccc(Br)cc1CN1CC([C@H]2CCNC2)C1 2075886131 MPLCJDHAPRFTDC-JTQLQIEISA-N 311.223 2.196 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1cc(CO)cs1 2101550631 STWNGANRRZJKMB-UHFFFAOYSA-N 319.791 2.400 10 10 DECE CC[C@H](C)[C@@H](Nc1c(N)cccc1Br)C(N)=O 2253263359 FDVXFWAPZQSHEG-OIBJUYFYSA-N 300.200 2.343 10 10 DECE CSc1ncc(CNC[C@H](O)COC2CCCC2)s1 2269204366 UHSXNNHOTDKLCV-JTQLQIEISA-N 302.465 2.275 10 10 DECE Cc1ccc(/C=C\C(=O)N2CCNC(=O)c3ccccc32)cn1 491998319 HLLJANUHPFUHOE-HJWRWDBZSA-N 307.353 2.180 10 10 DECE Cc1ccc(CN2CCN[C@H]3CC[C@@H]32)c(O)c1Br 2327788443 DBYPYUVTOVHOQJ-RYUDHWBXSA-N 311.223 2.399 10 10 DECE COc1ccc(O)c(CNC(=O)CCc2ccccc2O)c1 114544194 XFLDBMONTQHGGR-UHFFFAOYSA-N 301.342 2.355 10 10 DECE CNCc1ccc(N(C)CC2CC(O)C2)c(Br)c1 234400319 KVLXSXNZPOBDRH-UHFFFAOYSA-N 313.239 2.376 10 10 DECE COC(=O)/C=C/c1ccc(N2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 263960853 OTEZHELOIAYVBZ-CFNZNRNTSA-N 320.345 2.396 10 10 DECE O=C(NCc1ccccc1O)c1cnn(CCC(F)(F)F)c1 273280813 WBXYXQKNFSVWTF-UHFFFAOYSA-N 313.279 2.471 10 10 DECE CC(=O)C(=O)COC(=O)COc1cc(Cl)ccc1Cl 808498140 LKXNOCMUCTVECQ-UHFFFAOYSA-N 305.113 2.074 10 10 DECE COC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 901166338 WUWZDNFTVJGJDF-UHFFFAOYSA-N 321.354 2.138 10 10 DECE O=C(CC1(O)CCC1)NCc1cc(Br)ccc1O 831937273 OVGVOUDUTQXQGU-UHFFFAOYSA-N 314.179 2.076 10 10 DECE CCn1cnc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1 747858214 QLMRDTTVKOWHFU-UHFFFAOYSA-N 324.387 2.420 10 10 DECE COc1ccc(CN[C@H](C[C@H](OC)C2CC2)C(=O)O)cc1C 846777793 CLRSTEVVOPZNPS-ZBFHGGJFSA-N 307.390 2.362 10 10 DECE CCCN(CCC)c1ccc(CNC[C@H]2CNCCO2)cc1 841099630 UISRJXMBFXRYMX-GOSISDBHSA-N 305.466 2.391 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC[C@H](CO)C2)c1 840895593 OFFAVQRIWJYGAM-SGMGOOAPSA-N 307.390 2.381 10 10 DECE Cc1cc(O)c(CN[C@H]2CCc3c(nnn3C)C2)c(Cl)c1 848565973 OMFNBRKJNJIHBU-JTQLQIEISA-N 306.797 2.130 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)OCC23CCC3)c1O 846067393 RHDUJLFAWYKEJE-NSHDSACASA-N 322.361 2.452 10 10 DECE CCOCc1cc(CN[C@H](CN)C(F)(F)F)ccc1OC 848715607 GQIIJRPUSNGPBI-CYBMUJFWSA-N 306.328 2.211 10 10 DECE C[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CCS1 925260691 YJWSAFLOBGNWIA-WCQYABFASA-N 320.414 2.441 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@@H]2CCC[C@H]21 929012160 XJWLTKHSAJLXJT-IACUBPJLSA-N 300.358 2.345 10 10 DECE CC[C@H]1CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852449832 XDZPFMOMQNEGDO-KBPBESRZSA-N 303.406 2.468 10 10 DECE CN1C(=O)CNC[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952177915 MIRMEHVXZDTDCN-MRXNPFEDSA-N 312.369 2.074 10 10 DECE C[C@H](NC(c1ccnn1C)c1ccnn1C)c1ccccc1O 858584017 OESHESZIEVKOGH-LBPRGKRZSA-N 311.389 2.299 10 10 DECE COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CCCC(C)(C)C1 862728904 AAWGCDOATGCRMQ-QGZVFWFLSA-N 321.373 2.340 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1c1cc(O)c(O)c(O)c1 1952608527 QELFOWCSPXDVPU-GWCFXTLKSA-N 324.377 2.203 10 10 DECE CC(=O)C(=O)COC(=O)/C=C/c1csc(C(F)(F)F)c1 860261998 QWLSEQTUWATPBC-NSCUHMNNSA-N 306.261 2.481 10 10 DECE C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 774248699 GKNNKFKSMNBIOY-DOMZBBRYSA-N 307.463 2.457 10 10 DECE NC(=O)CCCCC(=O)NCc1ccc(N2CCCCC2)cc1 779753239 PSZAUWUGSIJCNT-UHFFFAOYSA-N 317.433 2.339 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc[n+]([O-])c1 1123345126 GHKAJLAGMDKMHQ-UHFFFAOYSA-N 300.362 2.016 10 10 DECE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(C)(C)O 780504889 ZPLKLDOBWFSTPA-AWEZNQCLSA-N 318.461 2.158 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1cc(N)ccc1Cl 2191764198 RMUXMURVKXVWND-UHFFFAOYSA-N 311.794 2.330 10 10 DECE c1cc(N2CCCC2)ccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 1179559780 VLRKXMDPSXKOPK-NXHRZFHOSA-N 302.418 2.180 10 10 DECE C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@H](C)CN1CCO 1261376499 PZZCEICWLCIAQO-DLBZAZTESA-N 317.477 2.174 10 10 DECE CC[C@](O)(CC(=O)NCc1cccc(O)c1O)c1ccccc1 1349078498 HOQJACZKSVCASA-SFHVURJKSA-N 315.369 2.402 10 10 DECE CCCNC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1271229580 YWOBQLCHVFCOHO-NSHDSACASA-N 305.382 2.309 10 10 DECE COC1CCC(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1447443895 PLVUVWYVBPKBJZ-UHFFFAOYSA-N 307.390 2.352 10 10 DECE C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1 1292011583 VESOTGSVSPGWNS-MJBXVCDLSA-N 320.433 2.123 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c2ncccc12 1468035248 PQYQZJBUGQFNHB-UHFFFAOYSA-N 324.336 2.211 10 10 DECE O=C1Nc2cc(N3CCC[C@@H]4C[C@@H]43)c(Br)cc2[C@H]1O 1916853461 KJLZHIOHFKNHOM-BITCUVMXSA-N 323.190 2.423 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@]2(C)CO)c(Br)c1 1947986081 PPVVREQSWSSNKK-ZANVPECISA-N 300.196 2.464 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)C2CCOCC2)cc1C 1569041882 IXZPYQKZJYSQQS-AWEZNQCLSA-N 320.433 2.025 10 10 DECE Cc1ccc(NC(=O)c2cccc(O)c2O)c(N)c1[N+](=O)[O-] 1646259516 OAIKOOFFGRLEAE-UHFFFAOYSA-N 303.274 2.149 10 10 DECE CO[C@](C)(C(=O)NCc1cccc(O)c1O)c1ccccc1F 1644711119 STERTWZSYDHMKA-KRWDZBQOSA-N 319.332 2.415 10 10 DECE C[C@@H](NOCCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 1928530168 WDXKMRMYTDFCIZ-SNVBAGLBSA-N 312.366 2.205 10 10 DECE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2cn[nH]c2)cc1C 1674632384 AKDVJQQMNCXZPO-OLZOCXBDSA-N 316.405 2.023 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CSc1nccs1)C(=O)O 1933138805 UWSZUMCTQBMMBP-ZETCQYMHSA-N 304.393 2.213 10 10 DECE O=C(CCCO)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865944239 YHCBRSDGVBOSEW-UHFFFAOYSA-N 309.321 2.173 10 10 DECE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cnccn1 1889974896 MRRZMPBQFIMXFW-HOCLYGCPSA-N 308.385 2.395 10 10 DECE COc1ccc(Br)c(CNC2CCOCC2)c1O 1964024840 ZMQHUTMTSDHYTN-UHFFFAOYSA-N 316.195 2.432 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)Nc1ccc(N)cc1 1984415720 RFSRRULTNMIGMG-MFKMUULPSA-N 320.393 2.304 10 10 DECE N[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1C(F)F 2040873161 AGTCELTYSQRHMW-PSASIEDQSA-N 321.165 2.179 10 10 DECE NCc1cc(F)c(N2CCCC[C@@H]2CO)cc1Br 310626149 KGINLJRTQVGAKA-SNVBAGLBSA-N 317.202 2.398 10 10 DECE C[C@H]1CN(c2ccc(CO)cc2Br)C[C@@H]1CO 708747246 CZMVDYJGSBQXNM-GXSJLCMTSA-N 300.196 2.006 10 10 DECE C[C@H](CCS(C)(=O)=O)N(C)c1cc(Cl)c(CN)cc1F 2177380858 HTJVAGHVGGTPRI-SECBINFHSA-N 322.833 2.197 10 10 DECE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1c(F)cccc1Br 395074021 JBKYHGRWGJPSQG-SECBINFHSA-N 316.134 2.015 10 10 DECE C[C@@H](C[S@](C)=O)N(C)c1ccc(CN)c(C(F)(F)F)c1 398922070 VDBMYIPHBLEFHB-LXGOIASLSA-N 308.369 2.367 10 10 DECE CS(=O)(=O)c1cnn(Cc2cccc(C(F)(F)F)c2O)c1 2070207188 KCFRPHJPOBXKGQ-UHFFFAOYSA-N 320.292 2.059 10 10 DECE Cc1[nH]c(C2=S=Nc3ccccc32)nc(=O)c1Br 2041908505 FOCROPCIDIQXNC-UHFFFAOYSA-N 322.187 2.321 10 10 DECE C[C@H](N)c1ccc(N2CC([C@@H](F)CO)C2)cc1Br 2048049643 VYHMPYVJFHWRTL-SDBXPKJASA-N 317.202 2.235 10 10 DECE OCc1ccc(N2CC[C@@H](O)[C@H]2C2CC2)c(Br)c1 2067007147 HSRWKAXZLCDLSC-ZIAGYGMSSA-N 312.207 2.291 10 10 DECE NCc1ccc(N2CC[C@H](O)[C@@H]3CC[C@H]32)c(Br)c1 2070015607 UEGXZZAQQRDXTR-QKCSRTOESA-N 311.223 2.257 10 10 DECE CCn1nnc(Br)c1[C@@H](N)c1ccc(N(C)C)cc1 2100201674 PFLMRCOJBRBMHR-NSHDSACASA-N 324.226 2.175 10 10 DECE CSc1ncc(CN[C@@H]2CCO[C@]3(CCOC3)C2)s1 2208611139 MHTYGQVFTKFDKT-ZWNOBZJWSA-N 300.449 2.293 10 10 DECE CC(F)(F)c1ncc([C@@H](NCCCN=[N+]=[N-])C(N)=O)s1 2296055715 ASRHGPSQUVUFRX-SSDOTTSWSA-N 304.326 2.071 10 10 DECE N=C(N)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2296239350 RLFFIUPFUGVXFR-UHFFFAOYSA-N 306.420 2.382 10 10 DECE CN(C(=O)C=Cc1c(Cl)nc2sccn12)c1cnn(C)c1 2297666145 FTXFBFSMAHDMPC-UHFFFAOYSA-N 321.793 2.459 10 10 DECE NC(=O)[C@H]1CCN(C(=O)/C=C\c2cccnc2)c2ccccc21 492306019 YFAJAKWXWMMZAO-LZNQSLFOSA-N 307.353 2.101 10 10 DECE Cc1ccc(CN2CC[C@@]2(C)CO)c(O)c1Br 2307477108 IWKRAWJNSQPITD-ZDUSSCGKSA-N 300.196 2.420 10 10 DECE N[C@H](CC(=O)O)c1cc(Cl)c(F)c(Br)c1O 309203884 ZUMFUQISYXQVFL-RXMQYKEDSA-N 312.522 2.422 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC[C@H](C)C1 35361242 BJQBRJZZYWTYQM-ZDUSSCGKSA-N 311.451 2.067 10 10 DECE CCNS(=O)(=O)c1ccc(NCc2ccc(N)cc2)cc1 37670953 NOHHRMJJWBGAOD-UHFFFAOYSA-N 305.403 2.179 10 10 DECE Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)c1 122412513 JYDCCHLFWQAZDD-HNNXBMFYSA-N 321.808 2.452 10 10 DECE C[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccc(F)c(F)c1O 187761633 JMLRSTDXKPMQRL-BDAKNGLRSA-N 307.362 2.144 10 10 DECE CC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 294991013 UCHOYCWPWIPYBS-UHFFFAOYSA-N 300.761 2.239 10 10 DECE Cc1cc(Cl)cc(CNC[C@@H]2CCCS(=O)(=O)C2)c1O 809770390 XSCIWRJTFUICCZ-NSHDSACASA-N 317.838 2.268 10 10 DECE NC(=O)CC[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 727169944 QEJJFPYNDJNOCY-ZDUSSCGKSA-N 302.418 2.358 10 10 DECE COc1ccc(O)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 825124595 SZDWWJDMVNFVLW-TVQRCGJNSA-N 305.296 2.146 10 10 DECE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(O)cs2)CC1 732281697 ZAPRRBIMBAEOLH-NSHDSACASA-N 324.446 2.467 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 843433682 GKXNSODOADSRNR-MXTKCAFNSA-N 315.417 2.196 10 10 DECE Cc1cccnc1/C=C\C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 843298030 LNQIGLYUBJRXTN-MQNTZWLQSA-N 324.428 2.285 10 10 DECE C[C@H](NC(=O)N[C@H]1CCNC[C@@H]1C)c1ccc(N(C)C)cc1 841880648 FLMUSIOKLGBROB-XEZPLFJOSA-N 304.438 2.111 10 10 DECE CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc3c(c2)CCO3)C1 850353448 DAFSSIBPNFXHRY-USXIJHARSA-N 305.418 2.277 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)cc1 855228263 YKJROQAUQTXSMF-KKUMJFAQSA-N 318.417 2.205 10 10 DECE Oc1ccc(I)cc1[C@H]1C[C@@H](F)CN1 1952876060 BGSKBRKYWXXSOX-HZGVNTEJSA-N 307.106 2.369 10 10 DECE CC[C@@H](C[C@H](C)O)NCc1ccc(N2CCOCC2)c(F)c1 865873295 VZRKOFXWQAVDRN-ZFWWWQNUSA-N 310.413 2.301 10 10 DECE Cc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)c(O)c1O 871302802 VFNFOIKQTQRQHX-JSGCOSHPSA-N 305.374 2.341 10 10 DECE COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H](C)CO3)CC2)cc1 888316599 ZUNGJCQNAXZQLZ-WMLDXEAASA-N 318.417 2.159 10 10 DECE COC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 1120797794 GWQOCCIQUAPVCA-CYBMUJFWSA-N 305.305 2.354 10 10 DECE CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(CO)CC1 1137526136 XHLMGOHJBHFOKS-UHFFFAOYSA-N 318.377 2.472 10 10 DECE CCC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1136354467 PRJNWVRTFOEECN-HNNXBMFYSA-N 320.349 2.311 10 10 DECE CNCc1ccc(N2CCS[C@@H](CCO)C2)cc1Cl 720034784 BJMGZJBTLXMBIX-ZDUSSCGKSA-N 300.855 2.364 10 10 DECE CN(Cc1c(O)cccc1Cl)CC(C)(C)S(C)(=O)=O 713908655 UYWJDERIILUJJG-UHFFFAOYSA-N 305.827 2.301 10 10 DECE Cc1cn2c(CNC(=O)c3cccc(O)c3O)c(C)nc2s1 1159265444 DKPYYFNAHMUFEN-UHFFFAOYSA-N 317.370 2.354 10 10 DECE O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(O)cc1O 1162271376 BUNYBXOSYHSHNZ-SOFGYWHQSA-N 321.336 2.371 10 10 DECE CN(C)c1ccc(CNC(=O)c2cccc3nc(O)[nH]c23)cc1 1624401353 GRUABTOMWZZZPR-UHFFFAOYSA-N 310.357 2.265 10 10 DECE CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 1630273502 QFLLMDDKVXVJRF-OAHLLOKOSA-N 305.305 2.241 10 10 DECE CCN1CC[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1570418236 JSYMLOYJCWIBOQ-YOEHRIQHSA-N 303.450 2.202 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(O)c(O)c1 1901473303 LCIZKXBXVDXSOX-SNVBAGLBSA-N 324.377 2.083 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C(=O)NCCN=[N+]=[N-])C[C@H]2C1 1965103056 XGILTZUNQPQCBU-CNDDSTCGSA-N 323.397 2.306 10 10 DECE NCc1cc(F)c(N2CCO[C@H]3C[C@H]32)cc1Br 2004433360 YFPCCDGVVLTNPZ-NEPJUHHUSA-N 301.159 2.024 10 10 DECE CC(C)NCc1cc(F)c(N2CC([S@](C)=O)C2)c(F)c1 2171949990 AWZIORDNLWKPHT-FQEVSTJZSA-N 302.390 2.030 10 10 DECE CCOC(=O)CCNCc1cc(Br)cc(F)c1O 715746371 UNUXKYIDNWPFKI-UHFFFAOYSA-N 320.158 2.337 10 10 DECE CCc1nn([C@@H](C)c2ccc(OC)cc2O)c(N)c1C(=O)O 2079979990 XKUKOYOQTRXXPN-QMMMGPOBSA-N 305.334 2.049 10 10 DECE NCc1ccc(N2CC[C@H]2c2ncon2)c(Br)c1 2042318383 UJWOLKKOVTZZFI-NSHDSACASA-N 309.167 2.242 10 10 DECE Oc1ccc(CCNc2cncc(Br)n2)cc1O 2054545711 NMDPTLRVWXFPGC-UHFFFAOYSA-N 310.151 2.305 10 10 DECE CCS(=O)(=O)CCN(C)[C@H](C)c1cc(Cl)ccc1O 2114157308 WIGVXQTXHYNMOF-SNVBAGLBSA-N 305.827 2.473 10 10 DECE Nc1ccc(N2CCN(C[C@]3(Cl)CC3(F)F)CC2)cc1 2205570394 FWTZOSSCLNHJOQ-CYBMUJFWSA-N 301.768 2.407 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]3C2)c(Br)c1 2217896862 KVFCSEUYFLZIGI-SUNKGSAMSA-N 311.223 2.115 10 10 DECE CC(C)C[C@@H](NCc1c(O)cccc1Br)C(N)=O 2253485510 KLJUYSUJSNHNRH-LLVKDONJSA-N 315.211 2.144 10 10 DECE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1 2295170767 UYFWAYYORZHCSM-UHFFFAOYSA-N 322.320 2.362 10 10 DECE C[C@H](O)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319418658 RDGJCEZNURXKDB-DJLDLDEBSA-N 307.462 2.254 10 10 DECE CC[C@](C)(O)CNCc1c(Br)ccc(OC)c1O 1964047820 HQDSUIBQWLXFGQ-ZDUSSCGKSA-N 318.211 2.414 10 10 DECE CN(C)c1ccc(CNC(=O)c2ncncc2Cl)cc1F 175179772 CZVGUQHZPRDKSY-UHFFFAOYSA-N 308.744 2.265 10 10 DECE COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 33377535 YBNLZBUAKSWHPM-XAPLUZPNSA-N 323.395 2.370 10 10 DECE COc1ccc(Br)c(CN2C[C@H](N)C[C@H]2C)c1O 2220463122 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CCn1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)nc1Br 1912204480 KBNFGTMNHZFFID-SSDOTTSWSA-N 313.159 2.190 10 10 DECE O=C(Cn1cc(Cl)cn1)NCc1cccc(Cl)c1O 1457038177 VNBFSUKGWBAMAA-UHFFFAOYSA-N 300.145 2.212 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cccc2c1OCCCO2 1294870820 NGJOUXCLHDYNJH-UHFFFAOYSA-N 315.325 2.189 10 10 DECE C[C@@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1623794676 JDJNNRCMJPSVKA-TZMCWYRMSA-N 307.390 2.182 10 10 DECE CC(C)NCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1568715426 QSOFOCRJLSKKDU-LLVKDONJSA-N 305.382 2.355 10 10 DECE C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 1631593729 RBQSJPVMEMZSTH-ZWNOBZJWSA-N 315.377 2.204 10 10 DECE C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1632885680 JPNCKXPYTVAGLD-GWCFXTLKSA-N 304.350 2.225 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2c[nH]nc2C1 1566701110 UMHPKLCAPJSYHO-UHFFFAOYSA-N 315.354 2.234 10 10 DECE C[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)NC1CC1 228959797 KRLBQGCSCLGGTL-ZETCQYMHSA-N 303.189 2.456 10 10 DECE Oc1cccc2c1CN(c1ccc3nnc(C(F)F)n3n1)C2 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385065502 SFLWNZPWUSKFTI-SECBINFHSA-N 317.202 2.256 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2[C@H]3CC[C@H]2[C@H](CO)C3)c1O 290982813 UGEQWAYPVKVMMQ-DLOVCJGASA-N 312.753 2.299 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)c2cn(C)c(O)n2)cc1 819973680 AIIRBCYFPAYNKY-UHFFFAOYSA-N 316.405 2.244 10 10 DECE COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H](C)N)ccc21 653144364 QIJFEEYPGNHYKK-CHWSQXEVSA-N 317.433 2.370 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@]12C[C@H]1COC2(C)C 827956940 RODYRDDLIJUJAB-KSSFIOAISA-N 302.418 2.492 10 10 DECE Cc1noc(C)c1CCCNC(=O)c1c(F)ccc(O)c1O 826777513 BTJRZBBOWZLHHF-UHFFFAOYSA-N 308.309 2.204 10 10 DECE CCOc1cccc(CN2C[C@H]3CC[C@H]2[C@@H]2CNC[C@H]32)c1O 903965388 YKCODJUXCYUPRK-MIGQKNRLSA-N 302.418 2.221 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCOCC1 836550304 MUHQFZMNMJEAPA-UHFFFAOYSA-N 303.406 2.241 10 10 DECE CC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCCO1 848603044 KANWSEYZTVGLPF-JKSUJKDBSA-N 305.422 2.458 10 10 DECE Oc1ccc(Cl)cc1CNC(=S)NC[C@@H]1CCCO1 844583536 BWPQIHGCLRGRDX-NSHDSACASA-N 300.811 2.189 10 10 DECE CCN(C)c1ccc(CN2C[C@H]3COCC[C@]3(C(=O)O)C2)cc1 846287244 MRWAFVKKGQFYGP-YJBOKZPZSA-N 318.417 2.066 10 10 DECE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1895874954 DLFQHAURZYJIDA-JRPNMDOOSA-N 323.397 2.449 10 10 DECE O=[S@](CCNCc1c(O)cccc1Cl)CC(F)(F)F 850348587 PFNFSRGTIOGLQV-LJQANCHMSA-N 315.744 2.446 10 10 DECE Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1O 927568723 GFJOITGSIOAVLT-WPRPVWTQSA-N 319.279 2.246 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](F)C3)C2)cc1 854296576 KFKPHXWXZXENIN-ZIAGYGMSSA-N 321.396 2.417 10 10 DECE CC1(C)CCC[C@](O)(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 850106706 GQLGYVIKCKRZHE-QGZVFWFLSA-N 322.357 2.155 10 10 DECE C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccc2cccnc2c1O 862025225 PCYQNVBNZQHKEX-GFCCVEGCSA-N 324.384 2.169 10 10 DECE C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 871205080 VOIIJVOQYZDSHX-LLVKDONJSA-N 304.390 2.175 10 10 DECE C[C@@H](NC(=O)N(C)CCCN(C)C)c1ccc(N(C)C)cc1 776236620 ADBPUTQLZNRBJM-CQSZACIVSA-N 306.454 2.407 10 10 DECE CC(C)(C)N1CC[C@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 871205751 XQOCTJDQMUSEAG-QGZVFWFLSA-N 306.381 2.447 10 10 DECE Cc1ccc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)c(O)c1O 1123943386 MJFFEAIDEUEIIC-ZDUSSCGKSA-N 318.417 2.495 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)CC1(CO)CC1 894534525 NLSVLCNIXIRHMY-UHFFFAOYSA-N 318.186 2.498 10 10 DECE O=C(NOC[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 897530985 RFIKOAIOKKDNRX-QMMMGPOBSA-N 309.343 2.010 10 10 DECE COC(=O)[C@@H]1[C@H](CN[C@@H](C)c2cc(OC)ccc2O)C1(F)F 894782145 JPBDJEMSDBHUQY-QWRKXWFKSA-N 315.316 2.106 10 10 DECE O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1ccccc1O 896015112 HXDCBDRULGXCCF-HNNXBMFYSA-N 319.401 2.374 10 10 DECE C[C@H](NC(=O)[C@@]12CCCN(CC1)C2)c1ccc(N(C)C)cc1 897434549 VWZXGVORIYIMQJ-KSSFIOAISA-N 301.434 2.416 10 10 DECE CN(C)c1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1 788060120 ZYQYTUAUGGAKKL-UHFFFAOYSA-N 320.414 2.279 10 10 DECE CC(C)(C)OC(=O)NCCCCNCc1ccc(O)c(O)c1 397941589 UZGOOBLXMMYYLE-UHFFFAOYSA-N 310.394 2.492 10 10 DECE N[C@@H]1CC(CN2CCCc3cc(Br)ccc32)=C[C@@H]1O 2131474809 MZVAWYNWYGUKCV-HIFRSBDPSA-N 323.234 2.220 10 10 DECE C[C@@H]1COCCN1CCN(Cc1ccc(N(C)C)cc1)C1CC1 1459355492 YWWMEUNSJYJKQT-MRXNPFEDSA-N 317.477 2.438 10 10 DECE CCn1cc(C(=O)NCc2c(O)cccc2O)c(C2CC2)n1 1472063608 PCZVSIKDFKTTJK-UHFFFAOYSA-N 301.346 2.122 10 10 DECE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCC1CC1 1480812907 UVJZGZYTJPBBSM-LLVKDONJSA-N 317.393 2.357 10 10 DECE CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cnn(C)c1 1557252742 URHCCIJRMFNNJE-HJWRWDBZSA-N 307.357 2.430 10 10 DECE COC(=O)c1sccc1C(=O)NCc1cc(C)ccc1O 1641732987 IZUIFRYMVXJJPG-UHFFFAOYSA-N 305.355 2.479 10 10 DECE O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1cc(O)cs1 1648912585 SUCKPLZQICZTSR-SNVBAGLBSA-N 303.339 2.218 10 10 DECE COC(=O)c1ccc2c(c1)N(C(=O)c1cc(O)cs1)CC2 1653647719 CJUYEXLTJRHEAY-UHFFFAOYSA-N 303.339 2.443 10 10 DECE C[C@@H](CS(C)(=O)=O)N(C)[C@@H](C)c1ccc(Cl)cc1O 2138552535 GVDNQEKNDJYVET-UWVGGRQHSA-N 305.827 2.472 10 10 DECE COc1ccc(O)c(CNc2ccc(S(C)(=O)=O)cc2)c1 20022473 HGJWMTKGNUXVDI-UHFFFAOYSA-N 307.371 2.416 10 10 DECE CN(Cc1ccc(N)cc1)Cc1ccsc1S(C)(=O)=O 2150478099 GITPPMDIZKYTPA-UHFFFAOYSA-N 310.444 2.366 10 10 DECE CC(C)NCc1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2152232883 ZHTAECFVIIOPME-UHFFFAOYSA-N 316.854 2.071 10 10 DECE NCc1cc(F)c(N2CCC[C@H]2C2OCCO2)cc1Cl 2008203698 AFHIRTSGLFPYKY-LBPRGKRZSA-N 300.761 2.280 10 10 DECE Cc1cc(NS(=O)(=O)c2cc(CO)sc2C)ccc1O 2157773208 WQCHSXKCQQEFCJ-UHFFFAOYSA-N 313.400 2.364 10 10 DECE COc1ccc([C@@H](C)n2nc(C)cc2C(=O)NC2CC2)c(O)c1 2070084284 RJEUAWPZWAVEGZ-LLVKDONJSA-N 315.373 2.407 10 10 DECE COc1ccc([C@@H](C)n2nc(C(C)C)c(CO)c2N)c(O)c1 2079997759 HPNFSLUFCDWHJZ-SNVBAGLBSA-N 305.378 2.405 10 10 DECE CNCc1ccc(N2CC=C[C@@H]2CN(C)C)cc1Br 2230509007 QFDMZHUOKPHJDY-CQSZACIVSA-N 324.266 2.475 10 10 DECE CSc1ncc(CNC(=O)N2CCC[C@@]2(C)C(=O)O)s1 2284497943 HWNZKOOHICIRAX-LBPRGKRZSA-N 315.420 2.014 10 10 DECE CCN=c1[nH]c(C)c(C)c(=NCc2cnc(SC)s2)[nH]1 2284712913 ODAPSYFPHDYYEI-UHFFFAOYSA-N 309.464 2.160 10 10 DECE CCc1ncc([N+](=O)[O-])c(=NCc2cnc(SC)s2)[nH]1 2286728787 JUAVQHKTGLJFEG-UHFFFAOYSA-N 311.392 2.160 10 10 DECE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN[C@@H](C)C(=O)O 2297554296 FHIBZFFQXHUEPQ-VIFPVBQESA-N 307.737 2.009 10 10 DECE Cc1ccc(/C=C\C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cn1 492550565 RXSDTJSIFRTAAH-QWGSZXSUSA-N 321.380 2.094 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@H]1CNC[C@H]1F 2320553993 XKIFLIZEXXSCGT-MNOVXSKESA-N 321.165 2.036 10 10 DECE CN(C)C1CCN(c2ccc(CN)cc2Br)CC1 213025975 RCYAXCRDIFHHBH-UHFFFAOYSA-N 312.255 2.438 10 10 DECE COc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)c(O)c1 122517512 PJBQDZIXLYFKDS-UHFFFAOYSA-N 318.417 2.235 10 10 DECE N[C@@H]1C(=O)Nc2cc(N(CCO)C3CCCC3)c(Cl)cc21 92751086 NGNIDDCQFCTQGT-AWEZNQCLSA-N 309.797 2.033 10 10 DECE CN(c1cc2c(cc1Cl)[C@H](N)C(=O)N2)[C@@H]1CCCC[C@H]1O 252932698 VJIWFAFMDMJUBF-BNOWGMLFSA-N 309.797 2.032 10 10 DECE CC[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O 367640847 AAWUVHZLJVYPQM-HZPDHXFCSA-N 318.417 2.213 10 10 DECE CCOc1cccc(CN2CCO[C@]3(CCCOC3)C2)c1O 368585259 PVVMKGRTJBISNW-QGZVFWFLSA-N 307.390 2.172 10 10 DECE C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 804969352 PKQCGJNLDADLND-WFASDCNBSA-N 321.396 2.260 10 10 DECE NCc1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(Cl)c1 709788947 VQMHCLRTOXNKJK-VHSXEESVSA-N 308.731 2.406 10 10 DECE COC[C@H](CCCN)NCc1ccc(N2CCSCC2)cc1 817890551 ZXTAQRWOXOOLGY-INIZCTEOSA-N 323.506 2.083 10 10 DECE O=C(C1CC1)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 811502241 NQUQSFGWCBKQTF-ZDUSSCGKSA-N 313.756 2.365 10 10 DECE C[C@H](N[C@@H]1CCCCNC1)c1ccc(N2CCOCC2)c(F)c1 817984460 TWAHGSOEIXVVFO-GOEBONIOSA-N 321.440 2.455 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@@H]1CNCC2(CCOCC2)C1 903969702 JKQQKAPTCREBIR-KRWDZBQOSA-N 317.477 2.309 10 10 DECE CCC/C=C\[C@H](O)C(=O)NCCCSc1nccs1 900684028 VXJZLNMAXZXYON-QZPNVGJNSA-N 300.449 2.459 10 10 DECE CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C(C)(C)C 912029981 DCFZLRODCUBDAT-QKIRZYONSA-N 318.417 2.300 10 10 DECE CN1CCN(c2ccc(CN[C@H]3CCC[C@@H](CO)C3)cc2)CC1 840978327 NIRYUWRLJPCVEC-MSOLQXFVSA-N 317.477 2.079 10 10 DECE COCCc1nc2c(s1)CN(Cc1ccc(N)cc1)CC2 41583466 VPIASAOQWPSBDM-UHFFFAOYSA-N 303.431 2.473 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 846441323 XPEXWUXGFVKQLS-GASCZTMLSA-N 311.385 2.088 10 10 DECE COC(=O)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 917481387 YWLFEEZXRRKDIZ-NSHDSACASA-N 307.390 2.390 10 10 DECE COc1ccc(O)c(CNC(=O)c2nc(C)ncc2Cl)c1 743410831 QSELBYCCNMUOIC-UHFFFAOYSA-N 307.737 2.083 10 10 DECE COc1cc(C)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1O 842614710 BZWKROUIHGHHPU-CQSZACIVSA-N 314.389 2.186 10 10 DECE COC(OC)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 922054842 MCVVENKTIHMEGH-NWDGAFQWSA-N 309.410 2.120 10 10 DECE CC(C)OC(=O)CCCNC(=O)NCc1c(O)cccc1F 921988412 CQEGQVPZOUTMOG-UHFFFAOYSA-N 312.341 2.062 10 10 DECE CO[C@H](CN1CCOc2cc(N(C)C)ccc21)[C@@H]1CCOC1 851881340 KHNZROMVDYTSFI-CXAGYDPISA-N 306.406 2.003 10 10 DECE C[C@@H](CN(C)CCCN(C)C)NCc1ccc(N(C)C)cc1 850353911 PQNMOWNEHJLVKP-INIZCTEOSA-N 306.498 2.114 10 10 DECE CN(C)c1ccc([C@@]2(NC(=O)OC(C)(C)C)CCNC2)cc1 1952155745 PPKFCHWXNAILSG-QGZVFWFLSA-N 305.422 2.466 10 10 DECE Oc1ccc2ccncc2c1CN1CC[C@@](O)(C(F)(F)F)C1 762170523 NLSOSRVZESNTKO-AWEZNQCLSA-N 312.291 2.440 10 10 DECE CCOC1CC2(C1)C[C@H]2C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 867302058 JMNWSYCPFWYYMH-AJOZBUNDSA-N 319.401 2.350 10 10 DECE C=CC(=O)NCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 773262901 NNGJDVAAUJUHCB-UHFFFAOYSA-N 317.433 2.184 10 10 DECE C[C@H](NCCc1nnnn1C)c1cc(Cl)c(Cl)cc1O 774229375 FXUXTPHLXPRQMG-ZETCQYMHSA-N 316.192 2.116 10 10 DECE C[C@H]1CO[C@H](C(=O)NCc2cc(Br)ccc2O)C1 897747590 KCUIUUOXFRNVEE-PELKAZGASA-N 314.179 2.196 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H]3C)c(Br)cc21 706732511 SLVBSLJUVJTVRA-JVXZTZIISA-N 310.195 2.260 10 10 DECE Cc1ccc(O)c(CNCc2cn(C)nc2Br)c1 720649118 ZCEUALRPUZGBFU-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COc1ccc(CNCc2cnc3nc(C)cc(C)n23)c(O)c1 793386490 SWPWIRGZTFVGPU-UHFFFAOYSA-N 312.373 2.350 10 10 DECE NCc1ccc(N2[C@H]3CC[C@H]2COC3)c(F)c1Br 695056998 QSYOSVTVCXHQRB-UWVGGRQHSA-N 315.186 2.415 10 10 DECE CCOC(=O)COCCN(CC1CC1)c1ccc(OC)cc1 1170410816 GVVPOGJHKQTPIX-UHFFFAOYSA-N 307.390 2.491 10 10 DECE C[C@@H](NC(=O)N[C@@H]1CC[C@H]2CN(C)C[C@H]21)c1ccccc1O 1347233643 OPGJECSRYNGTLL-AYRXBEOTSA-N 303.406 2.093 10 10 DECE CON1CCN(c2ccc([C@@H](C)N)cc2Br)CC1 1915796900 JNWNKAHKFSCRFD-SNVBAGLBSA-N 314.227 2.152 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc(OCC2CC2)nc1 1520509109 QWKNAITVEMFJKT-UHFFFAOYSA-N 314.341 2.212 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccnc(O)c21 1454233652 OUKACYYWLVCDHD-GQCTYLIASA-N 312.325 2.191 10 10 DECE C[C@H](CCCNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1700690669 VYPKOJVYRKDWOM-LLVKDONJSA-N 323.372 2.307 10 10 DECE COC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 1237717 BBPWXKHDBKHMNU-POHAHGRESA-N 311.359 2.200 10 10 DECE CC[S@@](=O)c1ccccc1C(=O)NCc1cc(O)ccc1O 1637122702 NEABTIYBLKPTEU-JOCHJYFZSA-N 319.382 2.155 10 10 DECE CC(C)(C)OC(=O)[C@H](C(=O)NCc1c(O)cccc1O)C1CC1 1647289384 BQEBKBOFGCNSSC-AWEZNQCLSA-N 321.373 2.082 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCC1 1744549192 QBIOSZWGMSHXPV-UHFFFAOYSA-N 316.405 2.098 10 10 DECE CN(C)c1ccc(CNC(=O)/C=C\[C@H]2COC(C)(C)O2)cc1F 1598028425 KFTMONMDKHULJC-WOLRVDTOSA-N 322.380 2.216 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2ccc(O)c(O)c2)C1 1931310468 LUDSPZWLBRSDSV-TXEJJXNPSA-N 308.378 2.243 10 10 DECE NC(=O)CN(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1931972485 LABSSFXXYYLOGC-UHFFFAOYSA-N 304.777 2.324 10 10 DECE CC(C)=CC(=O)N[C@H]1CCCN(CCOc2ccc(N)cc2)C1 586072009 SVVSBPCQVNRLIS-INIZCTEOSA-N 317.433 2.194 10 10 DECE CC[C@H](NCc1c(Br)ccc(OC)c1O)[C@H](C)O 1964041366 BGZHZDINVCBNAA-KWQFWETISA-N 318.211 2.412 10 10 DECE CN(CCN=[N+]=[N-])C(=O)c1nn(C)c(Cl)c1Br 2001996335 ZMEDXQBXHSWDRE-UHFFFAOYSA-N 321.566 2.218 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)Nc1ccc(N)cc1 1977697054 RXLJAUGBZPGQDV-CYBMUJFWSA-N 320.393 2.400 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H](N)c1ccc(N(C)C)cc1 1978467967 XZQPJKJOVJWCMR-GLQYFDAESA-N 323.437 2.027 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1985095598 GTCQFMIWNPRYCQ-GHMZBOCLSA-N 323.397 2.354 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC(C(F)(F)F)C3)c(Cl)cc21 2152307152 UFXZBOOUJAVJMX-JTQLQIEISA-N 305.687 2.290 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@H]2NCC[C@@H]21 2027167094 LEZOHCLXRPVBIG-OLZOCXBDSA-N 311.223 2.481 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)cc1Br 2029636797 XIBAUTJPJKCZTM-BHDSKKPTSA-N 312.207 2.321 10 10 DECE C[C@H](N)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159807821 QPGXSONRAQNPAM-QMMMGPOBSA-N 304.404 2.290 10 10 DECE CCN(c1ccc([C@H](C)N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 387279056 OBKUMVRYEMMZDO-JQWIXIFHSA-N 316.854 2.373 10 10 DECE Cn1[nH]c(=NCc2cc(Br)cc(F)c2O)cc1F 2062758389 KXYKTVAZRRLVMD-UHFFFAOYSA-N 318.121 2.200 10 10 DECE CS(=O)(=O)[C@H]1CC[C@@H](NCc2ccc(Cl)cc2O)C1 2090125671 XIWIEFKEZRUGOJ-NEPJUHHUSA-N 303.811 2.101 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc(CN)cc1Cl 2113814611 VTANUEOGNFVGEG-UHFFFAOYSA-N 304.843 2.060 10 10 DECE CP(C)(=O)CN1CCN(Cc2c(O)cccc2F)CC1 2205355300 DQOCMBIJEXBQTK-UHFFFAOYSA-N 300.314 2.229 10 10 DECE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])nc1Br 2218736817 BVEYKQFLASZQMK-RNFRBKRXSA-N 313.159 2.144 10 10 DECE COc1ccc(Br)c(CNC[C@H]2CC[C@@H]2O)c1O 2220454557 ARFDGEHNTWDHPS-KCJUWKMLSA-N 316.195 2.024 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CNC2(CCC2)C1 2239359949 PZHBQELIJRHEKB-JTQLQIEISA-N 316.810 2.072 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNCc1ccc(O)cc1O 2244726200 DSXVNFILVNOTTK-SMDDNHRTSA-N 322.405 2.491 10 10 DECE C[C@H]1C[C@H](C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301621025 XTXSOYKKEJBJDA-UWVGGRQHSA-N 305.334 2.408 10 10 DECE Nc1ccc(NC(=O)C[S@@](=O)c2ccc(F)cc2F)cc1 40968826 SVPFUOVYPHHAKM-NRFANRHFSA-N 310.325 2.293 10 10 DECE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc(Cl)c1 40458378 FZDZIDCCZNCGCJ-LBPRGKRZSA-N 306.749 2.260 10 10 DECE CCOC(=O)CC[C@@H](N)c1c(O)cccc1Br 1951778710 IQHJCVZDWXDQQQ-SECBINFHSA-N 302.168 2.498 10 10 DECE NCc1ccc(N2CCCC[C@H]2C(N)=O)cc1C(F)(F)F 42403571 MLBHRVNVAABNQE-LBPRGKRZSA-N 301.312 2.008 10 10 DECE C[C@H](CN)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951861172 PWYGPIKBUDQXJN-PWSUYJOCSA-N 310.394 2.128 10 10 DECE CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 248802466 AJIVHYKBGLEJGW-KBPBESRZSA-N 303.362 2.354 10 10 DECE C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cn[nH]c1 270437861 QFOJFZYNOUNJQH-CYBMUJFWSA-N 311.389 2.346 10 10 DECE CN(C)c1ccc(/C=C\C(=O)N2CCCC3(C2)OCCO3)cc1 701228043 XDQCLOMBVLMUKY-TWGQIWQCSA-N 316.401 2.131 10 10 DECE CCCCN(CC(=O)N=c1cc[nH]cc1)Cc1ccccc1O 801595545 NKNOGJBXKCFCIF-UHFFFAOYSA-N 313.401 2.450 10 10 DECE COC(=O)CCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O 728950752 AZGMAEUBJCZYDQ-NSHDSACASA-N 324.377 2.104 10 10 DECE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1O 825948869 LMYKQFRAWJCKQQ-CYZMBNFOSA-N 312.207 2.500 10 10 DECE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCCCSc1nccs1 906670555 LLLJHJQEBPEDIK-GARJFASQSA-N 300.449 2.413 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1CNCCC1(F)F 841074114 BRRJEZKAGNCIKQ-NSHDSACASA-N 321.165 2.242 10 10 DECE C[C@@]12CN(Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 840114656 HSACNEDFKUXTGA-BOFVXQRXSA-N 313.397 2.462 10 10 DECE C[C@@H]1C[C@H](NC[C@]2(CCO)CCOC2)c2c(O)ccc(F)c21 756654612 LBVQQAZBKWLJEJ-ZUCKAHLUSA-N 309.381 2.458 10 10 DECE CCOC(=O)[C@@H]1C[C@H]1CN(C)c1cc(OC)c(OC)c(OC)c1 929706520 CTQKMFSCJCHZMG-WCQYABFASA-N 323.389 2.348 10 10 DECE CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(C3CC3)C2)c1O 750819676 GHLMCUMETPRPOX-HNNXBMFYSA-N 306.381 2.402 10 10 DECE CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1 927360512 LVQPCNXYDHZRJB-XMQYKBBCSA-N 320.389 2.216 10 10 DECE CCN(CC)c1ccc(CN(C)[C@@H]2CCN(OC)C2=O)cc1 929185177 PBDQGGLSPZJGAZ-MRXNPFEDSA-N 305.422 2.127 10 10 DECE C[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(F)cc1O 850563423 XSXVDESOANLSFN-OCCSQVGLSA-N 321.396 2.472 10 10 DECE Cc1ccc([C@H](C)NCCCCCN2CCNCC2)c(O)c1 925842572 APOMOWZNHZDZGQ-INIZCTEOSA-N 305.466 2.427 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCCO[C@@H]2CC2(F)F)c1 850521414 VBYUJRLKOUJTSY-TVQRCGJNSA-N 315.316 2.254 10 10 DECE COc1cccc(CNS(=O)(=O)C2CCC(C)CC2)c1O 866841275 YHYXZEXOCBLOAL-UHFFFAOYSA-N 313.419 2.399 10 10 DECE C[C@H](NC(=O)N[C@@H]1CCCn2nccc21)c1ccccc1O 869219676 XPAMGLSFLIVJRK-WCQYABFASA-N 300.362 2.484 10 10 DECE CCC(=O)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871200867 LANSBQUBARMESJ-CQSZACIVSA-N 302.374 2.026 10 10 DECE C[C@@H](NC(=O)C1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 871201716 ZITAOIRLFWGJKG-GFCCVEGCSA-N 316.401 2.319 10 10 DECE Cc1cc(Br)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1O 783738959 DHHAHLFIGQEBTI-SMDDNHRTSA-N 312.207 2.277 10 10 DECE COc1ccc2c(c1)CCN2C(=O)c1c(F)ccc(O)c1O 789964007 PEFZKNRJVPQVJG-UHFFFAOYSA-N 303.289 2.448 10 10 DECE CC(=O)N(c1ccc(N)cc1)c1nn2c(nc3ccccc32)[nH]1 96843396 DLOHGEVQRFUXOA-UHFFFAOYSA-N 306.329 2.477 10 10 DECE CN(Cc1cccc(Cl)c1O)C1CCS(=O)(=O)CC1 694188840 LVCACDCCKCWYDQ-UHFFFAOYSA-N 303.811 2.055 10 10 DECE O=C(NCc1ccccc1O)c1cnc(-c2ccccn2)nc1 1445972409 SAXYSRWPORGGFZ-UHFFFAOYSA-N 306.325 2.174 10 10 DECE O=S1(=NCCNCc2cc(Cl)ccc2O)CCCC1 1913872640 VNPJTDOHNKYYHG-UHFFFAOYSA-N 302.827 2.397 10 10 DECE O=C(C[C@H]1OC(=O)c2ccccc21)NCc1c(O)cccc1F 1558456174 UJDRXXBZTONTQI-OAHLLOKOSA-N 315.300 2.449 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCOCC2CCC2)cc1 1638861974 LTEVQGPZLIJHKM-UHFFFAOYSA-N 304.350 2.396 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)OC(F)(F)O2 1570462318 OBVMYYUYIVHBFP-UHFFFAOYSA-N 323.251 2.349 10 10 DECE CC(C)(O)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1570016858 DGVJLULIDXIPER-UHFFFAOYSA-N 310.357 2.496 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cnn2cccc(Cl)c12 1643882263 RLQBSASSGGZWFI-UHFFFAOYSA-N 317.732 2.329 10 10 DECE CCN(C)c1ccc([C@@H](C)NCC2CCN(CCO)CC2)cc1 151805764 DYQSHVICYXTTTR-MRXNPFEDSA-N 319.493 2.498 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 1885563258 RQEGERQJHAYEIM-SECBINFHSA-N 315.399 2.065 10 10 DECE CN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1COC1 1977043916 WXWPSERESZOZQJ-CABCVRRESA-N 322.405 2.192 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc(N)cc1 1977673304 YHPRMYULKGMIHX-GFCCVEGCSA-N 321.421 2.231 10 10 DECE C[C@H](NC(=O)[C@@H](N)COCc1ccccc1)c1ccccc1O 1989693639 AYWSZGSMHJJHOE-BBRMVZONSA-N 314.385 2.114 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C(F)(F)C2)cc1Br 2034598645 GBRGBMDAPYPLSS-WRWORJQWSA-N 321.165 2.285 10 10 DECE CN[C@@H](C)c1ccc(N2CC(N(C)C)C2)cc1Br 382289499 MKLSTZOKEGBCSL-JTQLQIEISA-N 312.255 2.480 10 10 DECE Cc1cc(O)n2ncc(C(=O)NCC[C@@H]3CCC(F)(F)C3)c2n1 2062116145 PEUDXOHSNXGCIR-JTQLQIEISA-N 324.331 2.299 10 10 DECE CC(C)S(=O)(=O)CCN(C)[C@H](C)c1cc(F)ccc1O 2170534036 VNDWAPZPSBFGOF-LLVKDONJSA-N 303.399 2.347 10 10 DECE OCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1Br 2065397467 PGNSDDBXENVPET-PTEHBNRSSA-N 312.207 2.149 10 10 DECE C[C@H](O)c1ccc(N2CCn3ncnc3C2)cc1Br 2114038618 OXSWYJDQVYEGNB-VIFPVBQESA-N 323.194 2.114 10 10 DECE O=C(C=Cc1cncc(O)c1)N1CCc2ccc([N+](=O)[O-])cc21 2306236328 JRHTXEKTDJRPSX-UHFFFAOYSA-N 311.297 2.298 10 10 DECE CCN(CC)[C@@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308001754 MWLAZDDLMRMKDK-CQSZACIVSA-N 304.390 2.054 10 10 DECE Cc1ccc(CNCCC[S@](C)=O)c(O)c1Br 2307568155 BGFFJMKGWFXDBC-KRWDZBQOSA-N 320.252 2.321 10 10 DECE CC(C)n1[nH]c(Br)nc1=NCc1ccc(N)cc1 2328339388 IDWFZJWEGYHFBZ-UHFFFAOYSA-N 310.199 2.238 10 10 DECE CCOc1cccnc1C(=O)NCc1cc(OC)ccc1O 178238177 GMRWFPGZURWEPS-UHFFFAOYSA-N 302.330 2.125 10 10 DECE COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3C)CC2)cc1 75979955 LDQJYINDRYSACO-CJNGLKHVSA-N 303.406 2.325 10 10 DECE COCCNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OC)c1 212669718 GYZSSHFMHIVJGV-OKILXGFUSA-N 308.422 2.045 10 10 DECE COc1ccc(CN2CCN(CC(F)(F)F)CC2)c(O)c1 134091628 ZDTQQORMNVPXNR-UHFFFAOYSA-N 304.312 2.081 10 10 DECE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2nn(C)cc21 283001644 RFBRPRXFNNBUDH-CQSZACIVSA-N 314.389 2.345 10 10 DECE COC(=O)c1cncnc1NCc1ccc(N(C)C)cc1C 804460989 QRWNWAAOCGLUFV-UHFFFAOYSA-N 300.362 2.250 10 10 DECE CC(C)[C@@](C)(CO)NC(=O)NCCCSc1nccs1 812154206 PVLDOEQVABBLGM-CYBMUJFWSA-N 317.480 2.332 10 10 DECE CN(C)c1ccc2c(c1)OCCN2Cc1cn(CC2CC2)nn1 828538738 WOCFMCOGWZCIKT-UHFFFAOYSA-N 313.405 2.153 10 10 DECE COC1([C@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)O)CCC1 904048805 BYRFJDUZBWORAJ-MQDFFIGUSA-N 318.417 2.378 10 10 DECE 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311.135 2.381 10 10 DECE CCOc1ccc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)c(O)c1 816639195 KQQCTXADWOJARW-FUHWJXTLSA-N 320.433 2.086 10 10 DECE COc1cccc(CNC(=O)[C@H]2CCc3cccc(O)c32)c1O 815834470 KSXDMCXOQGTYLS-ZDUSSCGKSA-N 313.353 2.453 10 10 DECE Cc1ccc([N+](=O)[O-])c([C@H](C2CCC2)N2CCNCC2)c1O 575275818 SBLRBEGTJXJUAA-HNNXBMFYSA-N 305.378 2.355 10 10 DECE CC1(O)CC(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 832059093 JWRGBLXUYVSQSZ-UHFFFAOYSA-N 304.173 2.476 10 10 DECE CCC(=O)N1CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1 835043145 NKYTZXTXUSLAKY-KJPDOMRESA-N 301.434 2.366 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3O)C2)cc1 855230884 GBNQKJVWMODXEJ-CYBMUJFWSA-N 312.369 2.410 10 10 DECE COC(=O)c1oc(C(=O)N(C)Cc2ccccc2O)cc1C 860049657 ZKQAGSNRJBBMQO-UHFFFAOYSA-N 303.314 2.352 10 10 DECE CN1CCC(NC(=O)CSc2ncc(Cl)s2)CC1 865372681 VCXZBJHPIUEIQS-UHFFFAOYSA-N 305.856 2.099 10 10 DECE CN1C[C@@H]2[C@H](CCN2Cc2c(O)cccc2Br)C1 862372765 AFEJPMYHKNKNGR-ZWNOBZJWSA-N 311.223 2.291 10 10 DECE C[C@H]1[C@@H](N(C)C)CCN1Cc1ccc(N2CCOCC2)cc1 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309.366 2.275 10 10 DECE Cc1cc(C)c(S(=O)(=O)NCCN=[N+]=[N-])c(C)c1[N+](=O)[O-] 165850800 OQWXHKWLGSGKEM-UHFFFAOYSA-N 313.339 2.109 10 10 DECE CCOC(=O)N[C@H]1CCCN(Cc2ccc(OC)cc2O)C1 154019814 RFPKEUFYFCAVSA-ZDUSSCGKSA-N 308.378 2.111 10 10 DECE CC(=O)N1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 1204328904 SFWYRGHGHAJLJB-HNNXBMFYSA-N 301.434 2.339 10 10 DECE C[C@]1(CNCc2cccc(Br)c2O)COCCO1 1967800708 ZCSLFUDEYMDRGC-ZDUSSCGKSA-N 316.195 2.050 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@H](C)C(N)=O)cc1Br 723192094 OFHIAWWROPKEKM-DTWKUNHWSA-N 314.227 2.040 10 10 DECE CC[C@H](N)Cc1cnc(SC[C@]2(OC)CCOC2)s1 2270010801 ZZAUETAKHFJJQM-GWCFXTLKSA-N 302.465 2.321 10 10 DECE CO[C@H](CSc1ncc(C[C@@H](C)N)s1)[C@@H]1CCOC1 2274646399 UCUVOQMGRIXJJY-CKYFFXLPSA-N 302.465 2.176 10 10 DECE CSc1ncc(CNS(=O)(=O)c2ccc(O)cc2)s1 2269095146 LTECTCVKMJWCGA-UHFFFAOYSA-N 316.429 2.049 10 10 DECE OCC(F)(F)C(F)(F)CNCc1ccc(Cl)cc1O 2336538711 KRGIUVIYGLIAAV-UHFFFAOYSA-N 301.667 2.398 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 251550649 QKNZPVTVHWFKFT-PWSUYJOCSA-N 316.854 2.244 10 10 DECE Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2N)c(C)n1-c1ccccn1 185428221 QPJVUQONVWYSTN-HOTGVXAUSA-N 312.417 2.489 10 10 DECE Cc1cc(C(=O)N2CCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1 73808415 IBCQFJANIILZRM-MRXNPFEDSA-N 311.385 2.184 10 10 DECE Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2O)c(N)c1 38171320 HINBYJWOYICUDB-FOCLMDBBSA-N 308.319 2.219 10 10 DECE CN(C)c1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1 93010761 QUXRGRKESXDTLI-IBGZPJMESA-N 317.477 2.439 10 10 DECE C[C@H]1CCOCCN1C(=O)NCc1ccc2c(c1)CCCN2C 364054841 HTZLJASDJPJQAP-AWEZNQCLSA-N 317.433 2.389 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CC[C@@]3(CCCOC3)C2)c1O 375304320 RXYZGCZQAZAVNN-INIZCTEOSA-N 322.361 2.312 10 10 DECE CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(F)ccc1O 373587833 YXNZEMIHGXWIKN-KGLIPLIRSA-N 311.353 2.074 10 10 DECE CNC(=O)[C@H](CCSC)NCc1cc(Cl)cc(C)c1O 809785388 VUSJBSNKOXTKCR-LBPRGKRZSA-N 316.854 2.311 10 10 DECE O=[N+]([O-])c1c[nH]ccc1=NCc1cc(Br)ccc1O 804827043 KIQQJNVWLIONOH-UHFFFAOYSA-N 324.134 2.492 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2cccc(O)c21 815833913 KLEPOBNLQLNBAG-CYBMUJFWSA-N 313.353 2.192 10 10 DECE CN(Cc1ccc(N(C)C)cc1)CN1Cc2cccnc2C1=O 839955142 ZVANBCFFPQQFCX-UHFFFAOYSA-N 310.401 2.193 10 10 DECE CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2ccnn2C)cc1 858434662 MJJVRGPYGOJHOY-CZUORRHYSA-N 302.422 2.260 10 10 DECE CC1(C)Cc2n[nH]cc2CN(C(=O)c2c(F)ccc(O)c2O)C1 857341695 DHNTUTUBUVXTHH-UHFFFAOYSA-N 319.336 2.185 10 10 DECE CCS(=O)(=O)C1(CN[C@H](C)c2cc(OC)ccc2O)CC1 850558342 QIVCTVBTAJZABK-LLVKDONJSA-N 313.419 2.019 10 10 DECE O=C(COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12)c1ccc(O)c(O)c1 869660986 GWNBCTMMBQZKLJ-NAWOPXAZSA-N 302.326 2.116 10 10 DECE CCOc1cccc(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)c1O 863653401 JNQUQFGMBLZESF-DRPJVOAASA-N 302.418 2.221 10 10 DECE Cc1nn(C)c(C(=O)N(C)c2ccc(N)cc2)c1Br 1877184104 OAZWZTFDAHRQNJ-UHFFFAOYSA-N 323.194 2.350 10 10 DECE Cn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1Cl 1162612338 HMSAEQOYOHJCTJ-UHFFFAOYSA-N 316.748 2.257 10 10 DECE [N-]=[N+]=NCCNS(=O)(=O)Cc1cccc(Br)c1 1964004084 NZQAEIQVEWEHSF-UHFFFAOYSA-N 319.184 2.179 10 10 DECE COc1cccnc1CNC(=O)NCc1cccc(Cl)c1O 1312875091 SMXGTTHURMTNJZ-UHFFFAOYSA-N 321.764 2.449 10 10 DECE [N-]=[N+]=NCCCNC1(C(=O)O)CCN(Cc2ccccc2)CC1 390799170 WFRGLQFSUNZFFM-UHFFFAOYSA-N 317.393 2.396 10 10 DECE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C(F)F 1320661044 QYKXEHGAUBLNAC-UHFFFAOYSA-N 300.349 2.207 10 10 DECE O=S1(=O)[C@H]2CC[C@H]1CC(NCc1c(O)cccc1Cl)C2 724314471 OLAGZJDDCDUPJV-QWRGUYRKSA-N 315.822 2.243 10 10 DECE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1O 1454805457 JZUBGTPJGCNYKG-SECBINFHSA-N 302.286 2.497 10 10 DECE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c(O)c1 1535930267 CLRFDTLXJDINTB-ZDUSSCGKSA-N 308.378 2.282 10 10 DECE CO[C@@]1(C)C[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1(C)C 1628732872 WAYLWXGRKJTZHC-YOEHRIQHSA-N 307.390 2.302 10 10 DECE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 1912188711 QMOURIXTVQALSW-QMMMGPOBSA-N 302.306 2.286 10 10 DECE O=C(CCc1cccnc1Cl)NCc1ccc(O)c(O)c1 1635960008 UCPBRENUVLFUEL-UHFFFAOYSA-N 306.749 2.395 10 10 DECE CCOC(OCC)[C@@H](C)NC(=O)N(C)Cc1ccccc1O 1684865359 XPHZCOXGYXXGBF-GFCCVEGCSA-N 310.394 2.321 10 10 DECE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(Cl)cc1O 1658946667 CKFQSOCKBZPAGZ-NXEZZACHSA-N 303.811 2.053 10 10 DECE OC[C@H]1CO[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1 1967896534 WZYUECIYWLBUCY-KWQFWETISA-N 306.189 2.186 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](O)C3(CC3)C2)cc1Br 2032398578 VMEBCYCEWKEPRK-RNCFNFMXSA-N 312.207 2.464 10 10 DECE Cc1cc(O)c([C@@H](C)n2cc(C(=O)N(C)C)c(O)n2)cc1C 2070591828 ACSHKVANUKVBIP-LLVKDONJSA-N 303.362 2.222 10 10 DECE C[C@H](O)c1ccc(N2CCN(C)[C@H]3C[C@@H]32)cc1Br 2049410318 ZBVSTXJNMPFPPA-HERUPUMHSA-N 311.223 2.395 10 10 DECE C[C@H]1[C@@H](O)CN1c1ccc(CNC2CC2)cc1Br 2062243815 DUXSNURMGPHHON-XPTSAGLGSA-N 311.223 2.271 10 10 DECE NCc1cc(F)c(N2CC[C@H]3COC[C@@H]32)cc1Br 2077843247 YXVYNHZWCWANFX-SDBXPKJASA-N 315.186 2.272 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1CCn2nccc2C1 2108916011 UVYQVEVBEXBCNY-LBPRGKRZSA-N 322.206 2.456 10 10 DECE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)c1ccccc1O 2211078903 PXUQWQWJCWIHKV-WHCBVINPSA-N 322.405 2.152 10 10 DECE C[C@@H]1CCC[C@@H]1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168021 MJCGXVWQXYRPKL-PELKAZGASA-N 300.336 2.231 10 10 DECE Oc1cc(O)c(CNCCN2CCCC2)cc1Br 2256017163 DBBFULDAZFTYGP-UHFFFAOYSA-N 315.211 2.046 10 10 DECE CSc1ncc(CNC[C@@H]2C[C@H]3COCC[C@H]3O2)s1 2269192796 HHADUVIFUJXPLC-JBLDHEPKSA-N 300.449 2.149 10 10 DECE CSc1ncc(CNC[C@@H](C(=N)NO)C2CCC2)s1 2269120453 CTADTYPGINWLLD-SNVBAGLBSA-N 300.453 2.327 10 10 DECE CCN1CCN(C2=NC(=O)C(=Cc3ccccc3)S2)CC1 2293417962 BQHKIMCTDZTGPR-UHFFFAOYSA-N 301.415 2.294 10 10 DECE Cc1ccc(CNS(=O)(=O)C(C)C)c(O)c1Br 2307465269 DSESNXBWYONSJZ-UHFFFAOYSA-N 322.224 2.291 10 10 DECE NCc1ccc(N2CC(n3ccc(Br)n3)C2)cc1 2314922986 UFLCLJDKLYKGFI-UHFFFAOYSA-N 307.195 2.166 10 10 DECE C[C@]1(N)CN(Cc2ccc(Br)cc2O)CC1(F)F 2315158791 KATSCLSAJQBCRK-NSHDSACASA-N 321.165 2.323 10 10 DECE N#Cc1ccc(OCCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 181125603 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CN(C)CCn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186639 HUPBWWKXVHZTHI-UHFFFAOYSA-N 322.412 2.131 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1COCC1(C)C 836637864 DGBAWEBJBHUWOV-HNNXBMFYSA-N 305.422 2.319 10 10 DECE COC/C(C)=C/C(=O)NCc1cc(Br)ccc1O 846139430 LTTJXAMXSJCPQM-WEVVVXLNSA-N 314.179 2.364 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@@H](C)N)cc1 842009004 YWYBNXZWAXSYBT-KGLIPLIRSA-N 306.454 2.410 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](CO)C1 840299963 BAPBILYXEDKGQC-GOEBONIOSA-N 319.449 2.411 10 10 DECE c1cc(N2CCSCC2)ccc1CN[C@@H]1CN2CCC[C@H]1C2 924709213 UXSBDTRGNCESQM-FUHWJXTLSA-N 317.502 2.424 10 10 DECE O=C(C[C@@H]1CC[C@@H](C2CC2)O1)OCC(=O)c1ccc(O)c(O)c1 924359968 MJVQZCFYAOACFZ-LRDDRELGSA-N 320.341 2.171 10 10 DECE N[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@@H]2COC[C@H]12 1899885484 XAEBYQHXHKRMBR-GUDVDZBRSA-N 310.397 2.428 10 10 DECE C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)c2ncnn21 868763714 CPTYZVMJALXTEH-HOSYDEDBSA-N 301.350 2.050 10 10 DECE C[C@@H](NCCOCCCN)c1cccc(C(F)(F)F)c1O 863544934 FKPOJDCSWFRTDZ-SNVBAGLBSA-N 306.328 2.427 10 10 DECE C[C@@H](CO)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 766662784 RJNJDUOMCZLFTN-NSHDSACASA-N 324.332 2.247 10 10 DECE CC(C)N1CCC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 1138153110 XXRPTKFAIOYZJR-ZFWWWQNUSA-N 320.433 2.265 10 10 DECE CC1(C)[C@H]2C(=O)N(c3ccc(N)c(Br)c3)C(=O)[C@H]21 211495122 LTHCXFMXPISVPZ-AOOOYVTPSA-N 309.163 2.177 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(F)cn2)c1 799313877 HVYNBNDZEZGIQN-QLJPJBMISA-N 306.337 2.319 10 10 DECE OCCN[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 708599458 ZCNSXDRHYBKUDX-LBPRGKRZSA-N 319.232 2.245 10 10 DECE C[C@H](c1cc(F)ccc1O)N(C)CC(C)(C)S(C)(=O)=O 713911522 HNAXVCVUBRINLJ-SNVBAGLBSA-N 303.399 2.347 10 10 DECE C[C@](O)(CNCc1cc(Br)ccc1O)C(F)F 698638157 FGJQWBVTONYJRB-NSHDSACASA-N 310.138 2.260 10 10 DECE O=C(CCc1cccc2c1OCO2)NCc1cccc(O)c1O 1303195203 SQXYTXBASDASRY-UHFFFAOYSA-N 315.325 2.076 10 10 DECE Oc1ncc(NCc2ccc(N3CCSCC3)cc2)c(O)n1 1319088664 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CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(c1ccc(CN)cc1)C2 1962015179 HGMPYHMNWIIYBX-GASCZTMLSA-N 303.406 2.343 10 10 DECE OCc1ccc(N2CCO[C@H](CF)C2)c(Br)c1 2004600651 PDSGVHLORCXWIT-SNVBAGLBSA-N 304.159 2.116 10 10 DECE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 1985103279 SHXRSBAMDIQRMC-MNOVXSKESA-N 321.381 2.155 10 10 DECE OCc1ccc(N2CCCC[C@H](O)C2)cc1Br 2003385452 XFTOCYXPNJLTFT-LBPRGKRZSA-N 300.196 2.293 10 10 DECE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC[C@@H](P(C)(C)=O)C1 2160831262 JHDSJIJCRACCSK-ZYHUDNBSSA-N 302.315 2.363 10 10 DECE CN1CCc2cc(CN[C@@H]3CCCC4(C3)OCCO4)ccc21 715634037 ZYYXDRDFNZTRKE-MRXNPFEDSA-N 302.418 2.454 10 10 DECE CNC(=O)c1cc(CC(C)C)nn1Cc1cc(OC)ccc1O 2070092142 SOIWNIZMLXGCNU-UHFFFAOYSA-N 317.389 2.204 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCS[C@H]3CCC[C@@H]32)cc1 2170529108 NUAARVIQADOXIT-KBPBESRZSA-N 312.460 2.069 10 10 DECE Cc1cc(O)c([C@@H](C)n2nc(C3CC3)c(C(N)=O)c2N)cc1C 2079972498 VSLYPLRYKACFNS-SNVBAGLBSA-N 314.389 2.373 10 10 DECE 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2319423338 RDGJCEZNURXKDB-CIUDSAMLSA-N 307.462 2.254 10 10 DECE Cc1ccc(CN2CC3(CC(N)C3)C2)c(O)c1Br 2327630506 KBKNZKONWQDRLI-UHFFFAOYSA-N 311.223 2.386 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@H]2Cc3c(ccc(O)c3O)C[C@@H]21 116520275 UQXKNOJKBQPFAR-JSGCOSHPSA-N 321.373 2.201 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@H](O)C(C)C 304330950 RHGPBYXDILGGIV-AWEZNQCLSA-N 315.373 2.387 10 10 DECE CN(C)CCC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 172828184 IUTKOGNJMMVXMX-UHFFFAOYSA-N 307.394 2.464 10 10 DECE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCO1 125358878 ANPADXQUYWBQPO-WMLDXEAASA-N 315.417 2.430 10 10 DECE CN(C)CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 186270740 LGCRRZHCHOVAJM-UHFFFAOYSA-N 316.449 2.156 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1Cl 226919067 CPQPOYKMMQFQCU-RWSFTLGLSA-N 307.825 2.465 10 10 DECE NCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)c(Cl)c1 2368591326 QLDKRUVDGUSOJR-SECBINFHSA-N 324.780 2.015 10 10 DECE CCc1nc(C2CCN(Cc3cccc(OC)c3O)CC2)n[nH]1 191691176 ZVYHEAVZUFRCLD-UHFFFAOYSA-N 316.405 2.461 10 10 DECE COc1ccc(N2CCN(C(=O)/C=C/C3CC3)CC2)cc1F 84815510 JATLCJGKSSLXEK-QPJJXVBHSA-N 304.365 2.449 10 10 DECE COC[C@H](C)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255336791 WHVGTFYCFJYXNB-AJHXJQRKSA-N 318.417 2.030 10 10 DECE CCOc1ccc(O)c(CN2CCC(CCC(N)=O)CC2)c1 271178509 GWFAZURVGSDZMM-UHFFFAOYSA-N 306.406 2.268 10 10 DECE NC(=O)CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O 807838480 TWLBMDLGLIMVEY-UHFFFAOYSA-N 319.188 2.361 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3COC[C@@H]3C2)c1O 827593969 CLHRSSYARYTZGR-ONGXEEELSA-N 312.753 2.422 10 10 DECE CC[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 838030511 TUKBPXNJICFEMX-ZFWWWQNUSA-N 323.412 2.194 10 10 DECE C[C@@H]1OCC[C@H]1N(C/C=C\c1ccc(N(C)C)cc1)CCO 835055684 XLVKTDFAUPHBKP-UGZKAYFTSA-N 304.434 2.238 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](c2ccccn2)C1 831195925 OYFISUUTEKKLHR-SNVBAGLBSA-N 302.305 2.262 10 10 DECE CC(=O)c1cc(F)cc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1O 844469606 JDKORSVYGAZLMA-HUUCEWRRSA-N 323.364 2.112 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](CO)C1 840299962 BAPBILYXEDKGQC-GDBMZVCRSA-N 319.449 2.411 10 10 DECE Cc1nnc(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 929971109 MAJYNUFPQKFVLE-HNNXBMFYSA-N 317.389 2.307 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H](OC)C2)cc1 855020557 RUQWEKPHFLTZQB-WMLDXEAASA-N 320.433 2.405 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCCN1C1CC1 922203830 DXPRFGVIFUIGIO-ZDUSSCGKSA-N 321.396 2.347 10 10 DECE Cc1ccc(O)c([C@H](C)NC[C@H]2CC3(CCNCC3)C(=O)O2)c1 925854899 JWMRSZJQIWDRTC-UONOGXRCSA-N 318.417 2.037 10 10 DECE C[C@@H](Cc1ccco1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 852791769 MAYZGXQGUYPDBF-SUMWQHHRSA-N 315.417 2.340 10 10 DECE CCN1CC[C@@H](N(CC)C(=O)NCc2ccc(N(C)C)cc2)C1 853245491 ZXVBHUTYZDNEBE-QGZVFWFLSA-N 318.465 2.378 10 10 DECE O=C(NCCO[C@H]1CC1(F)F)NCc1cc(Cl)ccc1O 852528650 YGYNAIYAMCHFGR-NSHDSACASA-N 320.723 2.269 10 10 DECE C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1nccn1C 852687071 FYIDSEIITNFFRE-SECBINFHSA-N 308.769 2.340 10 10 DECE 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OCc1ccc(N2CC[C@H](O)[C@H]2C2CC2)cc1Br 2067007545 JUPBVIZPSPMQEK-UONOGXRCSA-N 312.207 2.291 10 10 DECE CSc1ncc(CNC(=O)[C@H](N)CSC(C)(C)C)s1 2269088605 TTZPAGXTHCPPHO-SECBINFHSA-N 319.521 2.340 10 10 DECE COc1cc(N2C[C@@H](C)CC[C@H]2C2OCCO2)ccc1CN 2226055030 YMLOWJQEUHIYDV-WFASDCNBSA-N 306.406 2.132 10 10 DECE C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2N(C)C1=O 491941214 SCCFNGLAGXPRCR-SBDDDAINSA-N 322.368 2.136 10 10 DECE Cc1ccc(C=C2SC(=S)N(CCOCCO)C2=O)cc1 2323767891 IOFGEOQFSDMLCR-UHFFFAOYSA-N 323.439 2.205 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCC[C@@H](O)[C@H]1O 2333449905 RIASZLGXRPDZRY-LOWVWBTDSA-N 306.189 2.063 10 10 DECE CCCN(Cc1ccccc1O)C(=O)CCc1ccnn1C 184320346 KLDIXRQCKLNFJB-UHFFFAOYSA-N 301.390 2.497 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 2364100659 KUNONUSORBNMSW-RYUDHWBXSA-N 302.400 2.050 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)cn2)c1 193879898 PKHPGTLUQCMSQK-UHFFFAOYSA-N 316.361 2.184 10 10 DECE CN(Cc1nccn1C)c1ccc(CN)c(Br)c1 228152140 ACWSSBNMLWTIBF-UHFFFAOYSA-N 309.211 2.278 10 10 DECE CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCS2(=O)=O)cc1 246476216 QWHKMUBBMNPZAZ-CZUORRHYSA-N 310.463 2.371 10 10 DECE Cc1c(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])cnn1C 254994824 SFBBPJZKDGLUPI-SREVYHEPSA-N 312.329 2.239 10 10 DECE Cc1cc(Cl)cc(CN2CCC[C@H](N3CCNC3=O)C2)c1O 362044363 IOHBXTCEENEHOS-AWEZNQCLSA-N 323.824 2.344 10 10 DECE CC(=O)CCC(=O)NCc1cc(Br)ccc1O 804736497 WEEXDPLKVPRURK-UHFFFAOYSA-N 300.152 2.140 10 10 DECE Cc1nc(N)sc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 722223351 JAGCDOVZNCLMGX-UHFFFAOYSA-N 319.795 2.194 10 10 DECE COC1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835051809 JYJNICNFISEKDF-PLNGDYQASA-N 304.434 2.239 10 10 DECE CNC(=O)c1cccc(COC(=O)c2ccc(C)c(O)c2O)c1 733822825 AHYLKIFFHPUQAH-UHFFFAOYSA-N 315.325 2.123 10 10 DECE CC(C)(C)OC(=O)NC[C@H](CC(=O)O)c1ccc(O)c(O)c1 1951417852 HNKWAXCNFUYYPO-JTQLQIEISA-N 311.334 2.181 10 10 DECE Cc1ccc(C(=O)NCC(=O)NCc2ccccc2O)cc1C 748349592 HSJOALBGRRDAHS-UHFFFAOYSA-N 312.369 2.055 10 10 DECE CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1c(O)cccc1F 928709715 DQJGDQUUCCBVBU-LBPRGKRZSA-N 322.302 2.324 10 10 DECE CC(C)(F)C(=O)NCc1cc(NC(=O)C(C)(C)F)ccc1O 923121710 HZIMSMSEDJQTGO-UHFFFAOYSA-N 314.332 2.443 10 10 DECE COc1cc(C)cc(CN2CCC[C@H](C3OCCO3)C2)c1O 754731435 BWFLVYQXSGXMHX-ZDUSSCGKSA-N 307.390 2.294 10 10 DECE CCCO[C@@H](C(=O)OCC(=O)C(C)=O)c1ccc(F)cc1C 923824758 QXGWLJRDNLMFOD-OAHLLOKOSA-N 310.321 2.303 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1c(O)cccc1[N+](=O)[O-] 1952941268 BEWRKVRQSINHJA-MWLCHTKSSA-N 323.349 2.310 10 10 DECE CN1C[C@H](N)C[C@@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1952567838 QARWOEGLSHUMEQ-ZWNOBZJWSA-N 307.394 2.443 10 10 DECE COC1([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)CCOCC1 868716227 CUQWBNIMLRPKCI-QWHCGFSZSA-N 322.405 2.337 10 10 DECE COC(=O)c1oc(C(=O)NCc2cc(OC)ccc2O)cc1C 860242821 XUSIEZPMKHHRHU-UHFFFAOYSA-N 319.313 2.019 10 10 DECE Cc1cc(N(C)C)ccc1CNC[C@@H](O)C[C@@](C)(O)C1CC1 872201463 BMBBUDCQXFRIFJ-ZWKOTPCHSA-N 306.450 2.063 10 10 DECE Fc1cc(CN2CCOCC3(CC3)C2)ccc1N1CCOCC1 783600389 ZAKYGHPTFQIGPT-UHFFFAOYSA-N 320.408 2.275 10 10 DECE O=C(O)C1=NN(c2ccc(OCc3ccccc3)cc2)C(=O)C1 703603965 STRAMBFWJMIDMN-UHFFFAOYSA-N 310.309 2.443 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2ncnn2C)cc1Br 707668803 QIEROLXCHFUQFW-SECBINFHSA-N 324.226 2.234 10 10 DECE O=C(Cc1ccc(-n2ccnc2)cc1)NCc1c(O)cccc1O 1178917783 RZTZAZNYEGWARL-UHFFFAOYSA-N 323.352 2.142 10 10 DECE Cc1cccc(N)c1N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 1959365647 HSRSCVNRVNGASH-OLZOCXBDSA-N 307.394 2.281 10 10 DECE C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914196977 NWVXAHCEMKBIEX-GFCCVEGCSA-N 301.342 2.121 10 10 DECE O=C1Cc2c(C(=O)N3CCc4c(Cl)cccc43)ccnc2N1 1295041675 LXRCNGSARNWNMB-UHFFFAOYSA-N 313.744 2.433 10 10 DECE Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c2nccn2c1 1622753451 WYHSJAQWUMQPDV-UHFFFAOYSA-N 311.341 2.026 10 10 DECE O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)NCc1ccccc1O 1630363488 RZNTXKDFYDLDSZ-VURMDHGXSA-N 324.336 2.053 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(CO)c1 1566359915 RKYRFBCNIKNNFD-UHFFFAOYSA-N 312.369 2.088 10 10 DECE O=C(NCc1c(O)cccc1F)c1cccc(-n2ccnn2)c1 1646035222 SJFGXAZLARYVIT-UHFFFAOYSA-N 312.304 2.042 10 10 DECE COc1cccc2c1CCN(C(=O)Cc1ccc(O)c(O)c1)C2 1597524135 JBOSPHCCALCNMO-UHFFFAOYSA-N 313.353 2.234 10 10 DECE Cc1cncc(/C=C/C(=O)N(CCC(N)=O)c2ccccc2)c1 160310364 OPEKMUBVVCVUJZ-BQYQJAHWSA-N 309.369 2.312 10 10 DECE CC1(CNCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1 1980244542 RUDRPJDDYPJRMU-UHFFFAOYSA-N 322.405 2.444 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151271159 BYPDEJWNJSORIK-OLUVUFQESA-N 315.822 2.017 10 10 DECE CN(C(=O)c1nnc(Br)s1)c1ccc(N)cc1 2011535767 DPWYLTQTJDVRIK-UHFFFAOYSA-N 313.180 2.159 10 10 DECE CCNCc1ccc(N2CCC[S@@](=O)CC2)c(Cl)c1 322002366 GMCCNXWKKDZNRI-LJQANCHMSA-N 300.855 2.408 10 10 DECE Nc1ccc(CCC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 715642192 OKCIZZOYWWLUBG-HNNXBMFYSA-N 304.390 2.003 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)C1([C@@H]2CCCCO2)CCC1 2062755660 SNHRUDMLLJJYPH-HNNXBMFYSA-N 321.373 2.159 10 10 DECE C[C@@H](Nc1snc(N)c1S(C)(=O)=O)c1ccccc1O 2192623708 SFAWJPAISPKLRC-SSDOTTSWSA-N 313.404 2.008 10 10 DECE OC[C@@H]1C[C@H](NCc2ccc(Br)cc2O)[C@H]2C[C@@H]21 2048010609 VWIRXIZKFBUJPE-RYDUCSDGSA-N 312.207 2.261 10 10 DECE Nc1ccc(OCC(=O)N[C@H]2CCC=C2Br)cc1 2076077522 ZNSDNRBTHZPOSS-LBPRGKRZSA-N 311.179 2.205 10 10 DECE CN(C)C[C@@H]1COC[C@H]1Nc1c(N)cccc1Br 2085482984 FKSIKUNHQCIKLN-BXKDBHETSA-N 314.227 2.020 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]3C2)cc1Br 2217902153 SXDQNWYAXVDKHN-OSMZGAPFSA-N 311.223 2.115 10 10 DECE CC[C@H]1CN(c2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])CCO1 2296907063 ADJXIBOSDOGVAW-ZDUSSCGKSA-N 320.345 2.396 10 10 DECE Cc1ccc(/C=C\C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cn1 492550564 RXSDTJSIFRTAAH-HLRDLLSLSA-N 321.380 2.094 10 10 DECE Cc1ccc(CNC[C@H]2CC[C@@H]2O)c(O)c1Br 2307568149 BFDFEUNIMOOLQT-KOLCDFICSA-N 300.196 2.324 10 10 DECE CSc1ncc(CN=c2cc(CO)[nH]cc2Cl)s1 2314750675 XVQSJUZRAGUOQN-UHFFFAOYSA-N 301.824 2.440 10 10 DECE O=C(O)[C@@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@H]21 52891 SLERUHSLMRNVML-AXAPSJFSSA-N 312.369 2.461 10 10 DECE Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(O)c1Cl 8578663 REJYWDOVUHPOMD-UHFFFAOYSA-N 316.748 2.327 10 10 DECE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)[C@H]1CO 310631021 JOMLYWFHVGTXKA-SDBXPKJASA-N 317.202 2.254 10 10 DECE C[C@H]1CCC[C@H](S(=O)(=O)CC(=O)Nc2ccc(N)cc2)C1 54691882 KHRPIIAHPUIEGW-FZMZJTMJSA-N 310.419 2.201 10 10 DECE CN1CC[C@H](CN(C)c2ccc(CN)cc2Br)C1 213055170 GTZPFPSVSLTFFS-LBPRGKRZSA-N 312.255 2.296 10 10 DECE NCc1ccc(N2CCCOCC2)c(F)c1Br 231839863 HLKLSUREEWIZIB-UHFFFAOYSA-N 303.175 2.274 10 10 DECE O=C(NCc1ccccc1O)N[C@H]1COc2ccc(F)cc2C1 378109296 PDSDYOCPBBWKOW-CQSZACIVSA-N 316.332 2.334 10 10 DECE COC[C@H](CCCN)N[C@H](C)Cc1ccc(N(C)C)cc1C 817934491 JRJSSHZJKXRHIF-WBVHZDCISA-N 307.482 2.336 10 10 DECE CCN1CCCN(C/C=C\c2ccc(N(C)C)cc2)CC1=O 835049164 CBTFRHBMSRIDSY-ALCCZGGFSA-N 301.434 2.320 10 10 DECE COC(OC)[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 914180741 UVQBQPZFYZRRLZ-ZDUSSCGKSA-N 321.421 2.093 10 10 DECE COc1cccc([C@@H](C)NC[C@@H](CO)c2cccnc2)c1O 846174712 YOWHAZGIUXADDN-OCCSQVGLSA-N 302.374 2.223 10 10 DECE COC(=O)/C(C)=C/CN1CCN(c2ccc(OC)c(F)c2)CC1 753857400 LHXPQTZMGDLQRC-AWNIVKPZSA-N 322.380 2.076 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1ccc(O)c(O)c1O 1952528425 QOGZRYMONJFQFJ-NSHDSACASA-N 324.377 2.075 10 10 DECE CC(C)[C@H](N)CCNCc1cc(Cl)cc([N+](=O)[O-])c1O 853247722 YTMCULUELVQYCR-LLVKDONJSA-N 301.774 2.417 10 10 DECE Cc1cc(N(C)C)ccc1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O 862526498 VOSZSZZHFJXLDP-SJORKVTESA-N 322.474 2.213 10 10 DECE CC[C@@H]1NCC[C@H]1NC(=O)NCCCSc1nccs1 861609366 IBFXAHLGFKJAFS-WDEREUQCSA-N 314.480 2.065 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC12CCC2 861662908 KZIQVJUKKDVHBP-INIZCTEOSA-N 316.449 2.179 10 10 DECE COC(=O)c1c(CN[C@H](C)CCCO)c2cc(F)ccc2n1C 894352218 MBMYLBMOBRCYDG-LLVKDONJSA-N 322.380 2.355 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1Cc2cc(Cl)ccc2O1 1153879101 DZVZGLVNXQYEEV-HNNXBMFYSA-N 319.744 2.371 10 10 DECE O=C(/C=C/c1cncc(O)c1)N1CCc2ccc([N+](=O)[O-])cc21 179412199 JRHTXEKTDJRPSX-DAFODLJHSA-N 311.297 2.298 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C2 1900606900 IKLPSAUMKTWGQF-FIXISWKDSA-N 323.397 2.449 10 10 DECE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1F 1456109079 WWICBSGUXYIDQH-UHFFFAOYSA-N 305.265 2.073 10 10 DECE Cc1cccc(O[C@H](C)C(=O)NCc2ccc(O)cc2O)c1 1451734956 FOUYFQWCPJILIA-GFCCVEGCSA-N 301.342 2.490 10 10 DECE CNC(=O)[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1Br 1916781545 TXNCVQYEWOXCOC-RKDXNWHRSA-N 315.211 2.073 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)C1 226754009 WBKGOLCWKUUKLC-LBPRGKRZSA-N 308.378 2.197 10 10 DECE CCc1nccn1[C@H](C)CC(=O)NCc1cc(O)ccc1O 1558175334 MGNXEANNDOBCPH-LLVKDONJSA-N 303.362 2.124 10 10 DECE NC(=O)c1ccnc(Sc2ncc(Cl)s2)c1[N+](=O)[O-] 1640213047 IPMHVRQGYAIJFR-UHFFFAOYSA-N 316.751 2.350 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCN2CCCCCC2)cc1 1654205796 OSKKQUCYXMXLAX-UHFFFAOYSA-N 317.393 2.455 10 10 DECE C[C@H](NOCCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 1928528283 BBLCEDUQIUFNHL-JTQLQIEISA-N 312.366 2.205 10 10 DECE O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cc(O)cs1 1651329363 VWHAUVFEFWTUDU-NSHDSACASA-N 311.790 2.441 10 10 DECE COc1cc(NC(=O)COc2ccc(N)cc2)cc(OC)c1 316039647 GOTRBGPLCNRLGX-UHFFFAOYSA-N 302.330 2.304 10 10 DECE Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@@]2(C)O 14719960 RTKDBIDPGKCZJS-SGTLLEGYSA-N 312.321 2.149 10 10 DECE biogenic CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccn1 1252732955 CGBGFCKZGUHYHC-UHFFFAOYSA-N 310.762 2.338 10 10 DECE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(CCCCN=[N+]=[N-])C1 1962304784 ORKSYFZQJIRZGG-UWVGGRQHSA-N 307.320 2.466 10 10 DECE CS[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1971512452 BJRFWXXUVBPXCL-RKDXNWHRSA-N 317.415 2.058 10 10 DECE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977940494 ATODYPMUYUNVSX-OAHLLOKOSA-N 321.421 2.341 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](Nc2ccccc2N)C1 1981509888 SVDAFBHSLRBSSV-WFASDCNBSA-N 321.421 2.299 10 10 DECE Oc1cc(Br)ccc1CNC[C@@H]1OCC[C@H]1F 2009189690 KQYWOUJUCXGTLC-PWSUYJOCSA-N 304.159 2.371 10 10 DECE C[C@H]1C[S@](=O)CCN1c1ccc(CN)cc1C(F)(F)F 2171969550 RLRATGUEFBUJKO-GWNMQOMSSA-N 306.353 2.121 10 10 DECE CC(C)(F)[C@@](C)(F)CNS(=O)(=O)Cc1ccc(N)cc1 2173023308 RNFAONTUENABSA-ZDUSSCGKSA-N 306.378 2.165 10 10 DECE CCc1cc(CO)n(Cc2cccc(Br)c2O)n1 2070095179 OJVLPCPRAJMTOU-UHFFFAOYSA-N 311.179 2.454 10 10 DECE Cc1cc(O)c([C@H](C)n2ncc(C(=O)N(C)C)c2O)cc1C 2070578644 UXURUHDJARXUBL-NSHDSACASA-N 303.362 2.222 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)O)c(Cl)c2)C1 2179901138 YJZQFDAZYAUJLE-CMPLNLGQSA-N 317.838 2.407 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CCN2CC[C@H]1C2 2072653728 WJXJATYKAZTBCL-GXFFZTMASA-N 311.223 2.339 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2cnnn2C)cc1Br 2100244745 YPHRTAWXDOTZLQ-VIFPVBQESA-N 324.226 2.234 10 10 DECE CN(C)c1ccc([C@H](NN)c2ncccc2Br)cc1 2106850793 MEKFMYFIPALXKE-ZDUSSCGKSA-N 321.222 2.463 10 10 DECE COc1cc(N2CCC[C@H](C3(C)OCCO3)C2)ccc1CN 2226055104 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193010514 ZSCJFBXQTRHDFV-UHFFFAOYSA-N 301.342 2.469 10 10 DECE Cc1cc(O)c(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1C 92105070 PCEDIHJGHHWYBU-ZBFHGGJFSA-N 302.418 2.500 10 10 DECE CC(=O)C(=O)COC(=O)c1cnn(C(C)C)c1-c1ccccc1 808540966 MBHIQNAEMBOJNX-UHFFFAOYSA-N 314.341 2.446 10 10 DECE COC[C@@H](CCCN)N[C@@H](C)Cc1ccc(N(C)C)cc1C 817934488 JRJSSHZJKXRHIF-DOTOQJQBSA-N 307.482 2.336 10 10 DECE Cc1cc(O)nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 814672095 JEQXZMYTLNKWLF-UHFFFAOYSA-N 303.337 2.231 10 10 DECE O[C@@H](CNCc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 818997223 VDPJSMMWYPQIJY-QGZVFWFLSA-N 301.361 2.454 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(N)cc1)C2 818556512 XXEPENNNDRJISH-GDLCADMTSA-N 303.362 2.074 10 10 DECE O=S1(=O)C[C@@H](CNCc2cc(F)ccc2O)c2ccccc21 824514700 BODYQGMVSZEHBK-GFCCVEGCSA-N 321.373 2.192 10 10 DECE CC(=O)[C-]1NC(C2=C=C(Br)S#C2)=S=C1C 725517798 LUYBYPPJHANVAC-UHFFFAOYSA-N 301.210 2.234 10 10 DECE Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c(O)c1 821127306 GCXHEPICAPZUDN-UHFFFAOYSA-N 315.297 2.485 10 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2.463 10 10 DECE CN(C)c1ccc(/C=C/CNCc2ccnc(N(C)C)n2)cc1 835042433 HTROYTYEMJHQSM-AATRIKPKSA-N 311.433 2.412 10 10 DECE CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC 839921133 HQICPULYWUFIED-BBRMVZONSA-N 320.433 2.307 10 10 DECE COc1cccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O 846155383 SPQGIAUXSPMJSN-CIQGVGRVSA-N 304.390 2.061 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CCNC3)C2)c1O 842475850 ZMBSSWDGCBAFQD-KRWDZBQOSA-N 306.381 2.309 10 10 DECE CCN(C)c1ccc(CN2C[C@H](OC)C[C@@H]2CC(=O)O)cc1 846286534 WCDWKNAJKRNZNT-HZPDHXFCSA-N 306.406 2.207 10 10 DECE CN(C)c1ccc(/C=C/CNCC[C@@]2(O)CCCOC2)cc1 846106968 MPNWSVOSSWEAPQ-YZTRRJNXSA-N 304.434 2.287 10 10 DECE COc1ccc(N2CC[C@H](CN[C@@H]3C[C@H](N)C34CCC4)C2)cc1 925709261 UOORNQFTYNOFKZ-FHLIZLRMSA-N 315.461 2.381 10 10 DECE C[C@@H]1CC[C@@H](NCc2c(O)ccc(Cl)c2F)CS1(=O)=O 850371370 WYOWKQGKRDGANV-RKDXNWHRSA-N 321.801 2.240 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1c1c(O)cccc1O 1952826349 XAQAIHBXUNUBJI-NOZJJQNGSA-N 323.345 2.481 10 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O=C(NCc1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])n[nH]1 1652709293 YQRGWUPWWAWJHI-UHFFFAOYSA-N 312.285 2.107 10 10 DECE CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985094232 LWZNEQRLDHAGSJ-RYUDHWBXSA-N 321.381 2.463 10 10 DECE Cc1ccc([C@@H](C)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(O)c1 1985777083 HCGRZUADPCGBNS-CHWSQXEVSA-N 324.421 2.237 10 10 DECE NCc1ccc(N2CC(F)(F)C[C@@H]2CO)c(Br)c1 2041116760 RQNRTROZIXCDKT-SECBINFHSA-N 321.165 2.114 10 10 DECE CNCc1ccc(N(C)C[C@@H](C)CO)c(Br)c1 688428185 YKYBGKOIYDOBKM-SNVBAGLBSA-N 301.228 2.233 10 10 DECE O=C(O)[C@@H]1CO[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 713993284 AXCNKMYQMKXMPZ-WCBMZHEXSA-N 320.172 2.278 10 10 DECE O=C(N[C@H]1CS[C@H](C(F)(F)F)C1)c1ccc(O)c(O)c1 2189226500 RWOPHPJZHMQFFR-XCBNKYQSSA-N 307.293 2.264 10 10 DECE C[C@@H](O)[C@H]1CCCN1c1ccc(CN)c(Br)c1F 2073326634 MNXYQOGTTZTHQU-PSASIEDQSA-N 317.202 2.397 10 10 DECE C[C@@H](O)c1ccc(N2CCn3ncnc3C2)cc1Br 2114036748 OXSWYJDQVYEGNB-SECBINFHSA-N 323.194 2.114 10 10 DECE CCCN(c1ccc(CO)cc1Cl)[C@H]1CCS(=O)(=O)C1 2201892019 KVOYLJMYUXUKLX-LBPRGKRZSA-N 317.838 2.236 10 10 DECE CSc1ncc(CN[C@@](C)(C(=O)O)C(F)(F)F)s1 2326013265 YFWSYDAMFUNQPX-QMMMGPOBSA-N 300.327 2.360 10 10 DECE Cc1ccc(CN(C)C(=O)C[C@@H](C)N)c(O)c1Br 2327612190 JVCVGADCXBJQNQ-SECBINFHSA-N 315.211 2.159 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H](CN3)C2)c(O)c1Br 2327621914 SAIINZVGWDTKDL-PWSUYJOCSA-N 311.223 2.257 10 10 DECE Oc1ccc([C@@H]2NC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1O 309644059 WFNSUDZAXGNUJE-FCEWJHQRSA-N 310.397 2.490 10 10 DECE CCN(CC)c1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 128098319 CHUPUKLGMJIKRE-GOSISDBHSA-N 305.466 2.295 10 10 DECE COC[C@@H](C)n1ccc(NCc2cc3c(cc2O)OCO3)n1 189858312 YSHZQOCIYYQZJL-SNVBAGLBSA-N 305.334 2.137 10 10 DECE CCSC[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1 135341408 KLGYCPCLIADJOD-LLVKDONJSA-N 304.419 2.326 10 10 DECE COC(=O)c1ccccc1NC(=S)NCc1ccccn1 243724524 PPXMWSZOFCXMLL-UHFFFAOYSA-N 301.371 2.355 10 10 DECE Cc1cc(CC(=O)N2C[C@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 831556156 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10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(n1)CCCC2 762263688 KCWXCMOCGVBXPZ-UHFFFAOYSA-N 312.369 2.344 10 10 DECE CC[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C1CCN(C)CC1 62460805 MGRXDYKJXAXKPU-INIZCTEOSA-N 304.438 2.012 10 10 DECE C[C@@H]1CCOCCN1C(=O)NCCCSc1nccs1 775444129 WGKNHGCCLVWFDY-LLVKDONJSA-N 315.464 2.446 10 10 DECE Oc1ccccc1CNCc1ncn(Cc2cccc(F)c2)n1 780590294 LHYFRBHNQAAANG-UHFFFAOYSA-N 312.348 2.461 10 10 DECE CNC(=O)[C@H](C)NCc1cc(Cl)cc(Br)c1O 708072626 HHRWMPPBMHJOHH-LURJTMIESA-N 321.602 2.032 10 10 DECE CCCN(CCCCS(=O)(=O)O)c1ccc(CN)cc1 689033093 RGZYEGUJYBBPPS-UHFFFAOYSA-N 300.424 2.030 10 10 DECE Nc1ccc(CS(=O)(=O)N2CC[C@H](CC(F)F)C2)cc1 1916662494 SRHPKARTOXEVSW-LLVKDONJSA-N 304.362 2.076 10 10 DECE C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccccc1O 1151885866 LBNHLNFHJNGHRS-GFCCVEGCSA-N 313.357 2.391 10 10 DECE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1nc(=O)o[nH]1 2121349185 ZGXFVQPCNXMNJT-YFKPBYRVSA-N 304.133 2.226 10 10 DECE O=C(/C=C/c1cnccn1)Nc1c(Cl)ccc2nonc12 1327167172 OMNJLRMERZYOQM-DAFODLJHSA-N 301.693 2.318 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 1538770812 LKNIDYBBTDBGHR-UHFFFAOYSA-N 311.301 2.200 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NCc1ccc(O)nn1 1478701966 LZVYAVPCWJUKES-UHFFFAOYSA-N 316.361 2.010 10 10 DECE C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)c2nccn21 1627597477 NEQOEXBTRMHVJT-SKDRFNHKSA-N 312.333 2.481 10 10 DECE C[C@H](Oc1ccccc1F)C(=O)NCc1c(O)cccc1O 1558533828 LCHNBNWIUNNYAD-JTQLQIEISA-N 305.305 2.321 10 10 DECE Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)c1ccc2cc[nH]c2c1 1635908392 WAXXHBVYNUJMMB-UHFFFAOYSA-N 310.357 2.109 10 10 DECE Cc1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)ncn1 1637781772 TWIJJLXUEHIPMS-UHFFFAOYSA-N 315.354 2.341 10 10 DECE Cc1nc([C@@H](NN)c2ccccc2O)ccc1Br 1924891041 FSDLQPXMWZGLTL-ZDUSSCGKSA-N 308.179 2.411 10 10 DECE COC[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1734316363 FTQCMIDNROPLSY-CABCVRRESA-N 322.449 2.223 10 10 DECE Cc1cc(C)n([C@H](C)CC(=O)NCc2c(O)cccc2O)n1 1645361150 ZFDHDKURFFBUJJ-GFCCVEGCSA-N 303.362 2.179 10 10 DECE COc1ccc(O)c([C@@H](C)Nc2nc(N)nc(Cl)c2N)c1 1655107572 XSJPZPREAKKLBM-ZCFIWIBFSA-N 309.757 2.182 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CCCn2ncnc21 1883184624 NXYWKZLIZBQXTN-LLVKDONJSA-N 323.194 2.371 10 10 DECE COc1ccc(Br)c(CNC[C@H](O)C(C)C)c1O 1964033364 TVEOYJCATPBMLC-NSHDSACASA-N 318.211 2.270 10 10 DECE C[C@H]1CN(Cc2c(O)cccc2Br)CC[S@@]1=O 1970339201 SMBPPOUZRZYICA-XYZCENFISA-N 318.236 2.108 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CF)c1O 1971791969 LXCOFSKTLBXVNJ-LBPRGKRZSA-N 301.745 2.419 10 10 DECE CN(Cc1ccccc1O)C(=O)/C=C/CNC(=O)OC(C)(C)C 1984935221 XXBCEINIHMSPMM-JXMROGBWSA-N 320.389 2.432 10 10 DECE COCCNCc1ccc(N(C)CCCCO)c(Cl)c1 385062373 AZLDVLGYUNSISP-UHFFFAOYSA-N 300.830 2.285 10 10 DECE Nc1ccc(CS(=O)(=O)Nc2ncc(Cl)cc2F)cc1 2200801104 RPDHJMGRBQTBDT-UHFFFAOYSA-N 315.757 2.398 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]3[C@@H]2CO)c(Br)c1 2078268533 UNNAIBJRCHHHKS-CBRVECNMSA-N 311.223 2.286 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CCn2nccc2C1 2108924721 PQGWVIRORPXAIV-GFCCVEGCSA-N 322.206 2.456 10 10 DECE NC[C@H]1CC(F)(F)CN1Cc1cc(Br)ccc1O 2264259760 IPRINZADYRBEAZ-SNVBAGLBSA-N 321.165 2.323 10 10 DECE CC[C@](C)(CC(=O)NCc1cnc(SC)s1)C(=O)O 2269118160 FSDQFYXZOUORAB-GFCCVEGCSA-N 302.421 2.372 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)cc1Br 2311861964 DLDHCOGAPNLLQQ-YYESSMSJSA-N 312.207 2.319 10 10 DECE Nc1ccc(CCc2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 59098897 DCVVAPVVCQSNRK-UHFFFAOYSA-N 317.370 2.177 10 10 DECE COC(=O)[C@H]1CCCN1Cc1cccc(Br)c1O 179899001 QBGGXQWORCPMAX-LLVKDONJSA-N 314.179 2.292 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(F)c(F)c1O)CC2 187777105 AEFYQQHYRVOUNY-NXEZZACHSA-N 322.359 2.490 10 10 DECE C[C@H](NCCNC(=O)c1ccccc1O)c1cc(F)ccc1O 185301728 KSANECGNJSLQTC-NSHDSACASA-N 318.348 2.318 10 10 DECE COCCN(CCOC)c1ccc(CN)c(Br)c1 228148511 BRPSPRBVQAWTPK-UHFFFAOYSA-N 317.227 2.007 10 10 DECE COC(=O)C[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1O 377869884 RLOLVGLPVNCCCB-CYBMUJFWSA-N 313.781 2.118 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)c(Br)cc1C 808532624 FFXNBDUVPOIWOV-UHFFFAOYSA-N 313.147 2.381 10 10 DECE COC(=O)/C=C/c1ccc(N2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 294901071 DTLLJFNOKHZALW-SMBUJGDBSA-N 320.345 2.131 10 10 DECE Cc1nc([C@@](C)(NC(=O)c2ccc(C)c(O)c2O)C2CC2)no1 817630590 JGTSWJCOZRNYBB-INIZCTEOSA-N 317.345 2.153 10 10 DECE COC(=O)[C@@](C)(CCF)NCc1ccc(N(C)C)c(F)c1 827352643 MLIJHXGAGPDGEY-OAHLLOKOSA-N 300.349 2.273 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](O)C(F)(F)C2)c1O 826958557 RLSHSVSGLXCJHA-SNVBAGLBSA-N 322.695 2.156 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@H]1COC[C@H]1c1ccccc1 910942360 CBBQBOLERXIUPT-HOTGVXAUSA-N 313.353 2.144 10 10 DECE COc1cccc(CNS(=O)(=O)CCCC(C)(F)F)c1O 914153143 SSUXKIZROBOMDT-UHFFFAOYSA-N 323.361 2.256 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1c(O)cc(O)cc1O 1952136518 TZMULPCGCGVOHK-GXSJLCMTSA-N 324.377 2.203 10 10 DECE Oc1cc2c(cc1CN1CC[C@H](Nc3ncccn3)C1)CCC2 842616841 XHQVCMBAGMNRQA-INIZCTEOSA-N 310.401 2.357 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1ccc(O)cc1O 1952600518 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2.467 10 10 DECE Cc1ccnc(N)c1CNCc1ccc(N2CCOCC2)cc1 894200518 NGWOISVESZAJAC-UHFFFAOYSA-N 312.417 2.099 10 10 DECE CCN(CC)[C@H](C)CNCc1ccc(N2CCN(C)CC2)cc1 793235262 DWFWETSKTJPFAS-QGZVFWFLSA-N 318.509 2.258 10 10 DECE CS[C@H]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)C1 707314491 NSUQUMZAGUGWDH-KBPBESRZSA-N 314.476 2.315 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2cscn2)cc1C 1317228160 GFQZTWVZOCHBTI-GFCCVEGCSA-N 319.430 2.368 10 10 DECE CC(C)N(CC1CCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1330488281 WUHOYGYFCGAAMM-UHFFFAOYSA-N 316.401 2.272 10 10 DECE OCC[C@@H](COCc1ccccc1)NCc1ccc(O)cc1O 1902795304 XUNIDRPWAYRERR-INIZCTEOSA-N 317.385 2.155 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccccc2Br)C1 1912169547 MAGNCTTUWNAYEJ-UHFFFAOYSA-N 317.168 2.132 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CCCCC2)CC1 1442318289 RGMOQNXDSSWJHB-UHFFFAOYSA-N 318.417 2.117 10 10 DECE O=C1Nc2cc(N3CC[C@@H]3C(F)(F)F)c(Cl)cc2[C@@H]1O 1916190643 VGWRNSMJNZOPGR-ZJUUUORDSA-N 306.671 2.467 10 10 DECE O=C(CCN1C(=O)CSC1=S)NC1CCCCCC1 1865765064 OMBFUCSCIQFYQJ-UHFFFAOYSA-N 300.449 2.076 10 10 DECE CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(O)c(O)c1 1463706527 KIUVVPPMEITCOK-UHFFFAOYSA-N 315.325 2.028 10 10 DECE FC(F)(F)Oc1ccc2c(c1)CCCN2CCn1cnnn1 1473236229 FNXHGCWFZFXSEL-UHFFFAOYSA-N 313.283 2.025 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccon2)CC1 1645835713 RVULYMYCHJIERV-UHFFFAOYSA-N 302.330 2.035 10 10 DECE CC(C)(C)OC(=O)NCCON[C@@H]1CCc2cccc(O)c21 1928524897 PSEGTTLYFUEFPG-GFCCVEGCSA-N 308.378 2.425 10 10 DECE Cc1cccnc1C(F)(F)C(=O)NCc1cc(O)ccc1O 1651225407 IAWOSPSEAPOIOP-UHFFFAOYSA-N 308.284 2.209 10 10 DECE Cc1c(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C 156921351 WBNPFKGYAJLCKA-GQCTYLIASA-N 312.329 2.239 10 10 DECE C[C@H](COC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1962165558 WCUDQHQJNQJMJQ-DGCLKSJQSA-N 310.394 2.322 10 10 DECE CS(=O)(=O)c1ccsc1CNCc1ccc(F)cc1O 1967712104 BZODYZMZKLTXED-UHFFFAOYSA-N 315.391 2.286 10 10 DECE C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1977677166 XYIUIZOMXMJDOJ-LBPRGKRZSA-N 321.421 2.183 10 10 DECE 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COc1ccc(N2CC[C@H](NCc3cn(C(C)C)nn3)C2)cc1 850347382 RNNUDFKLVJNBOP-AWEZNQCLSA-N 315.421 2.236 10 10 DECE COc1cccc(O)c1CNC[C@@H](n1cccn1)C(F)(F)F 858209836 WCPVLUIJQOGCFT-CYBMUJFWSA-N 315.295 2.491 10 10 DECE C[C@H](N[C@@H]1C[C@@H](N)C12CCC2)c1ccc(N2CCOCC2)cc1 925483488 ZQLCREHCBZORBD-BMGDILEWSA-N 315.461 2.444 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ccccc3N)C2)cc1 852900772 RMGZNJFWWAXOIJ-ZDUSSCGKSA-N 311.385 2.286 10 10 DECE COC(=O)C(C)(C)n1ccc(NC(=O)Nc2ccc(N)cc2)n1 850750710 NQCCRZPOFDEXLZ-UHFFFAOYSA-N 317.349 2.017 10 10 DECE CC(=O)C(=O)COC(=O)/C=C/c1ccsc1C(F)(F)F 869585413 GPUWKNCPLTYUKC-NSCUHMNNSA-N 306.261 2.481 10 10 DECE CN(c1ccc(CO)cc1Cl)[C@H]1CCCS(=O)(=O)CC1 694190962 IWANKWUHOZUCGK-LBPRGKRZSA-N 317.838 2.236 10 10 DECE C[C@H](O)c1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694160231 NAGKDVMPLUZKAP-JTQLQIEISA-N 305.827 2.264 10 10 DECE C[C@@H](c1ccc(F)cc1O)N(C)C[C@H]1CCCS1(=O)=O 694395096 CAZBXCBMHBNTHM-CMPLNLGQSA-N 301.383 2.101 10 10 DECE CCc1nnc(SC[C@@H](O)COc2ccc(N)cc2)s1 699319659 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COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C)C1=O 974732 YURJBHNNFYBRBM-POHAHGRESA-N 310.356 2.434 10 10 DECE OC[C@@H]1CO[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 1967896535 WZYUECIYWLBUCY-LDYMZIIASA-N 306.189 2.186 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2145052104 YOXNUWYENSIAMC-OLUVUFQESA-N 315.822 2.017 10 10 DECE CC1(C)C[C@H](NCc2c(O)cccc2Br)[C@H]1O 1998351281 YEVQHYGBSJXVCW-CMPLNLGQSA-N 300.196 2.404 10 10 DECE CC[C@@H]1CN(c2ccc(CNC)cc2Br)C[C@@H]1O 399981455 XWDKDOAVHPHXSG-RISCZKNCSA-N 313.239 2.376 10 10 DECE CCNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2179910650 JKFKNOBMWICLET-CYBMUJFWSA-N 316.854 2.073 10 10 DECE Nc1ccc(CS(=O)(=O)NCCC[C@H]2CC2(F)F)cc1 2196284517 DIWLDLITHIJCNU-NSHDSACASA-N 304.362 2.124 10 10 DECE CCCN(C)C1CN(c2ccc(CO)cc2Br)C1 2072417390 ADQXXYRKEWFRGZ-UHFFFAOYSA-N 313.239 2.472 10 10 DECE OC[C@H](F)C1CC(NCc2c(O)cccc2Br)C1 2078432308 IZWUIDZWCFOBJH-KWPJZBAWSA-N 318.186 2.353 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CCn2nccc2C1 2108923183 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O=C(O)[C@]1(Sc2nccs2)CCCNCCC1(F)F 2351869610 YBBRSACAPRMGMP-SNVBAGLBSA-N 308.375 2.467 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3cccc(O)c3O)[C@H]2C1 300216167 CXOGUGAHFAZBJJ-IMRBUKKESA-N 320.389 2.053 10 10 DECE CCCCn1cc(C(=O)NCc2cccc(O)c2O)c(C)n1 1348048453 TWTVHZLLMNWGIZ-UHFFFAOYSA-N 303.362 2.333 10 10 DECE CCOc1cccc(CNC[C@@]2(O)C[C@H](OCC)C2(C)C)c1O 188923853 FBKIRRVLLMIKGT-YJBOKZPZSA-N 323.433 2.447 10 10 DECE COc1cccc(CNc2cccc(S(C)(=O)=O)c2)c1O 37763228 VJTNFPMJADFTLC-UHFFFAOYSA-N 307.371 2.416 10 10 DECE COc1ccc(N2CCN(C)CC2)cc1NC(=O)CC(C)C 74586770 DIVPWEOKGKWLHU-UHFFFAOYSA-N 305.422 2.432 10 10 DECE CC1([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3O)C2)OCCO1 183891505 INVNNOYTMQQYHN-ZDUSSCGKSA-N 322.361 2.275 10 10 DECE COc1ccc(C(=O)NCc2ccc(O)cc2O)c(OC)c1 84632720 UOMNJDMXTKDBGJ-UHFFFAOYSA-N 303.314 2.045 10 10 DECE Nc1ccc(CC(=O)O[C@@H]2CCO[C@]3(CCSC3)C2)cc1 94409456 CDWFFCLIPVJQJC-GDBMZVCRSA-N 307.415 2.409 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H](c3ccncn3)C1)OCO2 372436028 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Cc1cc(Cl)cc([C@H](C)NCCN2CCC(N)CC2)c1O 925817718 VZDXAGNNWMFCEL-LBPRGKRZSA-N 311.857 2.428 10 10 DECE O=C(CCC(F)F)NCc1ccc(N2CCC(O)CC2)cc1 856213451 MUDMZORBNMUYAI-UHFFFAOYSA-N 312.360 2.309 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)c1 866446069 SWUQYPTUHKTXST-NPMCYHTCSA-N 317.385 2.253 10 10 DECE C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Cn1cccn1 868119538 UHQVWEXNDCNXJC-STQMWFEESA-N 302.378 2.285 10 10 DECE COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)c(C)cc2O)C1 862475818 YDOUPKAFADYFND-OAHLLOKOSA-N 313.781 2.118 10 10 DECE CCN(C)c1ccc(CN2CCN3C(=O)OCC[C@H]3C2)cc1 773825422 XEWFATHBCUIQPJ-INIZCTEOSA-N 303.406 2.169 10 10 DECE CN(C)c1ccc(CNC(=O)c2ncc(Cl)cn2)cc1F 1125534578 MNYKZWZDPNVAPI-UHFFFAOYSA-N 308.744 2.265 10 10 DECE Nc1ccc(OCCC(=O)NCCOCc2ccccc2)cc1 389989652 GLZJBXOCUDYRKK-UHFFFAOYSA-N 314.385 2.371 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1C 1274727289 VWRSBFYRCHWZIE-PBHICJAKSA-N 320.433 2.167 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1c(F)ccc(Cl)c1F 1912149674 JRHLGCHOWRVTDC-SNVBAGLBSA-N 303.700 2.435 10 10 DECE [N-]=[N+]=NC[C@H]1CCCCN(CC[C@H]2CCS(=O)(=O)C2)C1 1912149386 FVDJIMMKBWJOPR-QWHCGFSZSA-N 300.428 2.224 10 10 DECE C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1294614727 CXNSQBUEAUDMME-MLGOLLRUSA-N 315.369 2.269 10 10 DECE CC1(C)CC[C@@H](CO)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1456048416 ANIQKNSXGORWMU-ZDUSSCGKSA-N 318.377 2.472 10 10 DECE CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1568624871 UNBAOAFLCBYFRR-UWVGGRQHSA-N 318.377 2.149 10 10 DECE COc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1F 1633507380 GYPYMWIDMRXCPO-UHFFFAOYSA-N 319.332 2.495 10 10 DECE O=C(O)CCCN1C(=O)/C(=C\N2CCCCC2)SC1=S 11765480 OSDNHPBTGFZZBE-MDZDMXLPSA-N 314.432 2.039 10 10 DECE CCOc1cccc(CNCCC(=O)OCC(F)(F)F)c1O 1857869882 YCBYJOJYAXYPJL-UHFFFAOYSA-N 321.295 2.376 10 10 DECE COC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977938323 IDFFLBJIENCNOM-GJZGRUSLSA-N 324.421 2.326 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(O)[C@@H](N)c1ccccc1O 1978198383 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DECE COc1ccc(N2C[C@@H](O)C2(C)C)c(OC)c1Br 2219394747 XWCRWAPUNLRDLQ-SNVBAGLBSA-N 316.195 2.426 10 10 DECE Cc1ccc(CN2CC(CN(C)C)C2)c(O)c1Br 2327798089 CLBLCQJCISCOJW-UHFFFAOYSA-N 313.239 2.457 10 10 DECE CN1CCC(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 105458716 BOHYWBOIXDEQMO-UHFFFAOYSA-N 321.440 2.094 10 10 DECE C[C@@H](Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1O 62744839 IDXVUQDPAKMADY-SECBINFHSA-N 310.350 2.352 10 10 DECE C[C@@H](NCCNC(=O)c1ccccc1O)c1cc(F)ccc1O 185301747 KSANECGNJSLQTC-LLVKDONJSA-N 318.348 2.318 10 10 DECE CCNC(=O)CN(C)[C@H](C)c1cc(Br)ccc1O 133181588 XZMKNBSUFPDJNI-SECBINFHSA-N 315.211 2.284 10 10 DECE C[C@H]1CCOCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 367657357 HUJUGEJMHHRNOH-HNNXBMFYSA-N 315.417 2.383 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC12CC2 817515496 LCJCLSHOLRSRBY-INIZCTEOSA-N 300.402 2.282 10 10 DECE Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1ccccn1 729106095 LFNGBBWLQBCTCM-CQSZACIVSA-N 316.357 2.061 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H](N)C(F)(F)F)cc1F 829039103 UTJLOFVEAZNGDD-LBPRGKRZSA-N 321.318 2.178 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 588403942 LJKRUVICIYRHGI-JPDGOMIRSA-N 303.358 2.281 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCCCO2)c1 918746603 YZPMKXJXYQQEKF-MRXNPFEDSA-N 308.378 2.159 10 10 DECE CCc1nc([C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1 849744670 FQAAQDOXEAYRCM-PGBBXKAQSA-N 303.318 2.096 10 10 DECE Cc1cc(O)c(CN[C@@H]2CCCN(CCCO)C2)c(Cl)c1 840950041 DXUBJZWTOXICOL-CYBMUJFWSA-N 312.841 2.290 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[C@@H]2C[C@@H]2C1 843312852 CMEXOCPUVWHDRL-MRVWCRGKSA-N 300.358 2.345 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(O)c(O)c2O)CC1 1952157593 NDAZNDVCAIKMCP-LLVKDONJSA-N 324.377 2.075 10 10 DECE Cc1cc(O)c(CNc2cnn(CC(=O)N(C)C)c2)c(Cl)c1 840889180 PPISMDKIMGTYME-UHFFFAOYSA-N 322.796 2.251 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1C1CCOCC1 923909555 HAXVSHDSIYMNIA-STQMWFEESA-N 322.380 2.393 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CSC)C2)cc1 855229695 BYKLGLNGWCTANF-CHWSQXEVSA-N 308.447 2.389 10 10 DECE CC[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1 850034008 FYKGQOJAXWCQQF-GJZGRUSLSA-N 308.397 2.319 10 10 DECE Cc1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1O 856481921 DLMQGWNXVHSELO-RFAUZJTJSA-N 315.316 2.291 10 10 DECE COCCN(C/C=C(/C)C(=O)OC)c1ccc(OC)c(OC)c1 751474933 GUODGPHYZDHCHW-JYRVWZFOSA-N 323.389 2.276 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)C(C)C)C2)cc1 855226405 OPCFBQCEWKGETM-BBRMVZONSA-N 306.406 2.061 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCCN=[N+]=[N-])[C@H]2C[C@H]21 1895876318 UOEQPELOTZVHFQ-WHOHXGKFSA-N 323.397 2.352 10 10 DECE CC(C)N1CC[C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)C1 868363171 KCICWJUCIUBDQQ-KBPBESRZSA-N 305.422 2.483 10 10 DECE C[C@@H]1NCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O 861702141 INPAUCQVWVJTMD-WRWORJQWSA-N 318.204 2.249 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)NC1 861686085 MFZRKDVUONDNJE-UKRRQHHQSA-N 305.422 2.454 10 10 DECE CCN(C)c1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 773755016 TUPWXENEXUQQHT-HNNXBMFYSA-N 310.463 2.009 10 10 DECE COC(=O)c1c(CN(C)[C@H](C)CCO)c2cc(F)ccc2n1C 895149600 MCEGXCBUEFFTMH-LLVKDONJSA-N 322.380 2.307 10 10 DECE Cc1ccc(C(=O)NOCCOc2ccccc2)c(O)c1O 1457112861 KPTGIDQVPCAWKX-UHFFFAOYSA-N 303.314 2.147 10 10 DECE CCc1ccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1467902557 GAFNGMGLVGURKI-KRWDZBQOSA-N 315.369 2.053 10 10 DECE CCN[C@H](c1ccccc1O)[C@@H](O)CCNC(=O)OC(C)(C)C 1921961197 PFOKZMNOUKDFBM-LSDHHAIUSA-N 324.421 2.319 10 10 DECE CCNC(=O)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1558903689 PAFFWKSXHHEOQL-UHFFFAOYSA-N 318.304 2.239 10 10 DECE CCc1nc(O)c(C(=O)NCCc2ccc(O)c(O)c2)cc1C 1636022853 QVSBOZUPYQKTPL-UHFFFAOYSA-N 316.357 2.042 10 10 DECE O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc(O)cs1 1565689709 LAEYRHLJSSOUGB-UHFFFAOYSA-N 303.343 2.450 10 10 DECE Cc1cc(-n2cncn2)ccc1C(=O)N1Cc2cccc(O)c2C1 1643169326 QROQUDCQQRPEEJ-UHFFFAOYSA-N 320.352 2.437 10 10 DECE CN(C)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 1859619043 UMFBRUQNMKUCEY-UHFFFAOYSA-N 318.398 2.408 10 10 DECE N[C@H](c1ccccc1O)[C@@H](O)c1sncc1Br 1943688579 AFPZKBJOGGHVAQ-NXEZZACHSA-N 315.192 2.345 10 10 DECE CCOC1(C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1972382629 URDGTZYZAZZVIF-UHFFFAOYSA-N 320.172 2.375 10 10 DECE CN(C)c1ccc([C@@H](N)[C@](C)(O)CNC(=O)OC(C)(C)C)cc1 1977944418 FQYFVPJQKNYAHY-RHSMWYFYSA-N 323.437 2.028 10 10 DECE C[C@@H]1CN(C(=O)N2CC(N=[N+]=[N-])C2)CCN1C(=O)OC(C)(C)C 1985099916 CAYKZCGCLUFSCZ-SNVBAGLBSA-N 324.385 2.042 10 10 DECE CC[C@@H](CCCN(C)Cc1ccc(N)cc1)S(=O)(=O)O 2155521246 MDXZZRLUQSLHBW-AWEZNQCLSA-N 300.424 2.147 10 10 DECE CNCc1ccc(N2C[C@H](F)[C@H](OC)C2)cc1Br 2029812446 JGSCZEXDFXWCML-QWHCGFSZSA-N 317.202 2.342 10 10 DECE CNCc1ccc(N2CC(n3ccnc3)C2)cc1Br 707681101 ZBZYOTVGZNBCKM-UHFFFAOYSA-N 321.222 2.426 10 10 DECE OCc1ccc(N2CC[C@@H]3COC[C@H]3C2)cc1Br 690380716 GHFCDTKNZGAJTQ-VXGBXAGGSA-N 312.207 2.414 10 10 DECE COC(=O)c1cnn(Cc2cccc(C(F)(F)F)c2O)c1N 2070440612 AAOMNCTWYRHEMT-UHFFFAOYSA-N 315.251 2.025 10 10 DECE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C(N)=O)c2N)c(O)c1 2079033240 RKFKIWSRRUEGIL-SNVBAGLBSA-N 316.405 2.485 10 10 DECE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1ccc(Cl)cc1O 2179900428 CAPZNOCZMMSRCH-GFCCVEGCSA-N 317.838 2.443 10 10 DECE CN(C)c1ccc([C@@H](N)c2cnn(C)c2Br)cc1 2044710473 IYPYDFPQVHCZRW-GFCCVEGCSA-N 309.211 2.297 10 10 DECE C[C@@H](N)c1ccc(N2CC([C@H](F)CO)C2)cc1Br 2048049640 VYHMPYVJFHWRTL-AMIZOPFISA-N 317.202 2.235 10 10 DECE CN(c1ccc(CN)c(Br)c1)[C@@H](CCO)C(F)F 2058226534 QJIOQSBWNYSZGT-NSHDSACASA-N 323.181 2.360 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1Br 2078267630 NKVSINHDYMMCDD-DIUUZDHRSA-N 311.223 2.286 10 10 DECE CS(=O)(=O)C[C@H]1CCCN1Cc1c(O)cccc1Cl 2094883185 RJDMBDQKEZPLBC-SNVBAGLBSA-N 303.811 2.055 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2219165918 OSTNJHRLRPKBDF-YWVKMMECSA-N 318.186 2.412 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2)[C@H](C)CN1C 2222183958 YMXJNHIAVSCRGA-WDEREUQCSA-N 312.255 2.437 10 10 DECE CN1CCc2cc([C@@]3(N)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2329905929 DBUAXURJSMRKRN-ZOBUZTSGSA-N 300.402 2.006 10 10 DECE O=C(O)CCNC1=NC(=O)/C(=C\c2ccccc2Cl)S1 59182012 WJQQETSDFXYLJG-JXMROGBWSA-N 310.762 2.375 10 10 DECE CN(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1 211522297 UNEQCMDWLKCFJV-UHFFFAOYSA-N 324.222 2.450 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=COCCC1 171670027 YAVLKKAJHSQRRR-UHFFFAOYSA-N 316.401 2.176 10 10 DECE CC[C@@H](O)CN(C[C@H](O)CC)c1ccc(CN)c(Cl)c1 2360696458 VRCJFRFWOXRLST-ZIAGYGMSSA-N 300.830 2.147 10 10 DECE Cc1ccc(O)c([C@@H](C)NCCNC(=O)c2ccccc2O)c1 185301382 LMSYMPGVYTYAMH-CYBMUJFWSA-N 314.385 2.487 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(F)cc1O)CC2 185995200 OBUHWOUBEKKVOF-ZYHUDNBSSA-N 304.369 2.351 10 10 DECE Oc1ccccc1CNCc1cnc(N2CCOCC2)c(F)c1 185069849 OZRRYHFWDOWRPQ-UHFFFAOYSA-N 317.364 2.053 10 10 DECE CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@@H](N)C3)ccc21 246561548 ULRZFRYYHMIMGH-JKSUJKDBSA-N 301.434 2.203 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@H]2C1 245565610 RVGZBDSJJYTZKW-IBGZPJMESA-N 315.461 2.193 10 10 DECE COc1cc(N2CCn3cc(C)nc3C2)c([N+](=O)[O-])cc1OC 359900326 OUZCWIYUZMDSDC-UHFFFAOYSA-N 318.333 2.137 10 10 DECE CN(C)c1ccc(CN(C(=O)Cc2ccnn2C)C2CC2)cc1 278208125 HVZCPEBKPVWKNR-UHFFFAOYSA-N 312.417 2.220 10 10 DECE C[C@@H](N[C@H]1CCCNC1=O)c1ccc(Br)cc1O 296407967 KTYQFFMSJWHMOU-KCJUWKMLSA-N 313.195 2.084 10 10 DECE Cc1cc(Cl)ncc1S(=O)(=O)N(C)c1ccc(N)cc1 2162760298 CPACXTKOJPVNMJ-UHFFFAOYSA-N 311.794 2.451 10 10 DECE Cc1cc(CC(=O)NCc2nncn2C)c(C)n1-c1ccccc1 821388698 XKJJYLCEXZWHOM-UHFFFAOYSA-N 323.400 2.082 10 10 DECE O=C(N1CCCC1)C1(F)CCN(Cc2cccc(F)c2O)CC1 581818363 OPWMVUSPHNKEJF-UHFFFAOYSA-N 324.371 2.458 10 10 DECE O=C(OCc1cn(-c2ccccc2)nn1)c1cc(O)cs1 732354814 SAQUIIUWINQUES-UHFFFAOYSA-N 301.327 2.391 10 10 DECE CCN1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 841960551 SJMVOPYPWPBMTA-PBHICJAKSA-N 318.465 2.183 10 10 DECE Cn1cc(/C=C\C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)cn1 841419355 XKKUGGNXGVMVKR-HQQUCIOCSA-N 315.348 2.433 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[C@@H](C2CC2)N1 846672882 MGMJEZFKGRXBJS-ZWKOTPCHSA-N 313.445 2.434 10 10 DECE Cc1cc(Cl)cc(CNC(C)(C)CS(C)(=O)=O)c1O 762788782 XKOXZZDMHFSKCQ-UHFFFAOYSA-N 305.827 2.267 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2cccc(CO)c2)c1 862758283 VQVWDCRAKRZICE-CYBMUJFWSA-N 315.369 2.277 10 10 DECE O=C(O)c1ccc2c(c1)CCCN2C(=O)/C=C\[C@H]1CCCNC1 864611772 LQIMHEUSCQELFQ-DMTLFAOVSA-N 314.385 2.220 10 10 DECE CC[C@@H]1NCC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 861620879 PTQWTWRJCGNULV-UHOFOFEASA-N 304.438 2.253 10 10 DECE COc1cccc(CNC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1O 886334110 RAYDQUKNFILJTC-HACGYAERSA-N 307.390 2.217 10 10 DECE COc1cccc(O)c1CNC[C@H](O)Cc1ccc(F)cc1 886238814 JDPKXWJBNMENCZ-CQSZACIVSA-N 305.349 2.233 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccnn1 1126782941 BODLMFQWDPUJBY-UHFFFAOYSA-N 316.324 2.439 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2SC)c1 790787287 AASPOAAHYUVIDJ-SECBINFHSA-N 321.402 2.347 10 10 DECE COc1ccc(Br)c(CN[C@H]2CO[C@H](C)C2)c1O 1964044562 DSQJCTNQRRZPSX-RKDXNWHRSA-N 316.195 2.430 10 10 DECE O=C(NCC(F)(F)C1(O)CCCCC1)c1cccc(O)c1O 1184449861 FULRCJPAYGUXQR-UHFFFAOYSA-N 315.316 2.158 10 10 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10 10 DECE CN(C)CCNCc1cc(Cl)cc(Br)c1O 708173893 ZHTWTWQEHLUKOM-UHFFFAOYSA-N 307.619 2.459 10 10 DECE CN(CC1(O)CCCCCC1)C(=O)Cc1ccc(O)c(O)c1 1154831859 MCGCYMIFQKVLAT-UHFFFAOYSA-N 307.390 2.184 10 10 DECE CO[C@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)C1 1338808634 PAWWDMMCKYSONK-WMZOPIPTSA-N 303.450 2.096 10 10 DECE C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(O)c(O)c2)(N(C)C)C1 1291949796 ZPXBIJGVNMFDEM-ACJLOTCBSA-N 320.433 2.267 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2oc(O)nc2c1 1538365814 VKLPELMVQZAECP-UHFFFAOYSA-N 300.270 2.126 10 10 DECE Cc1nccn1-c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1544183400 SYBABOIGCFIXGA-UHFFFAOYSA-N 324.340 2.168 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCc2ccc([N+](=O)[O-])cc21 1623960248 BKPYPEDXAJIZFD-UHFFFAOYSA-N 314.297 2.138 10 10 DECE O=C(c1cccc(N2CCNC2=O)c1)N1Cc2cccc(O)c2C1 1558036728 YQCUZBBJZVGWNU-UHFFFAOYSA-N 323.352 2.078 10 10 DECE CCN(CC(=O)NCc1ccc(O)cc1O)c1ccccc1 1626838208 RNABFCQLJOSFBB-UHFFFAOYSA-N 300.358 2.241 10 10 DECE C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1O 1635794165 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2.446 10 10 DECE O=C1NCC2(CN(Cc3cc(-c4ccccc4)ccc3O)C2)O1 817416939 HAMKNTSIDNQUBD-UHFFFAOYSA-N 310.353 2.353 10 10 DECE CN1C[C@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 814173669 NXRAVEANTIESRT-MFKMUULPSA-N 311.223 2.291 10 10 DECE COc1ccc(O)c(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 722503075 QZSQNWQUNNGMSK-LBPRGKRZSA-N 324.377 2.041 10 10 DECE Fc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1N1CCOCC1 827596117 UUTOCURNXROKDX-HOTGVXAUSA-N 320.408 2.131 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 907272679 HOJQBFIOEMQHRG-DGCLKSJQSA-N 307.390 2.350 10 10 DECE CN(C)c1ccc(/C=C/CN(CCS(C)(=O)=O)C2CC2)cc1 835029501 URMNDNGHGCRKFO-SNAWJCMRSA-N 322.474 2.275 10 10 DECE O=C(NCc1ccccc1O)NC[C@H]1CC[C@H](C(F)(F)F)O1 915517095 GXDMPJDZCXXZRG-ZYHUDNBSSA-N 318.295 2.301 10 10 DECE O=C(Cc1csc(C2CC2)n1)NCc1ccc(O)cc1O 910955493 GHSKFZMNXJJDDS-UHFFFAOYSA-N 304.371 2.291 10 10 DECE CCOCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233103 WTAOHVIUPHOCPR-AWEZNQCLSA-N 306.406 2.207 10 10 DECE 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301.481 2.236 10 10 DECE C[C@H](N)C[S@@](C)(=O)=Nc1ccc(C2=S=CC=C2)s1 2085069087 QOHWFZPNNGSDSD-NIVTXAMTSA-N 300.474 2.450 10 10 DECE Cn1cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])nc1Br 2218736816 BVEYKQFLASZQMK-NKWVEPMBSA-N 313.159 2.144 10 10 DECE COc1ccc(N2C[C@@H](O)C[C@@H]2C)c(OC)c1Br 2219390862 AMWNLZSGEUSRPW-IUCAKERBSA-N 316.195 2.426 10 10 DECE NCCc1n[nH]cc1CN1CCc2c(Br)cccc21 2227044879 XNSQEDNGQBKJAT-UHFFFAOYSA-N 321.222 2.236 10 10 DECE Oc1cc(Br)ccc1CNCCN1CC[C@@H]2C[C@@H]21 2261361111 LTYLVZUPQSEXPD-MFKMUULPSA-N 311.223 2.339 10 10 DECE CCO[C@]1(CSc2ncc(C[C@H](C)N)s2)CCOC1 2271597507 WAYGXZVCBQEETA-GXFFZTMASA-N 302.465 2.321 10 10 DECE CSc1ncc(CNC(=O)N2CC[C@]2(C)CC(=O)O)s1 2284536154 HSTONWIKSMKGJY-GFCCVEGCSA-N 315.420 2.014 10 10 DECE Cc1ccc(CN(C)CCC(=N)N)c(O)c1Br 2307478085 SWUSEHPMAMBEQL-UHFFFAOYSA-N 300.200 2.221 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311886277 FLOABHJALGYGCP-KMUQISDUSA-N 311.223 2.286 10 10 DECE CCOC(=O)CCN(C)N=Nc1ccc(OC)c([N+](=O)[O-])c1 2330193279 SMEVRYOSVOTSDA-UHFFFAOYSA-N 310.310 2.487 10 10 DECE Cc1ccc(CN(C)[C@H](C)CC(N)=O)c(O)c1Br 2327800445 KZIWAKANOHHRIV-SECBINFHSA-N 315.211 2.159 10 10 DECE CCOc1ccc(O)c(CN[C@H](C)C(=O)NCc2ccco2)c1 111398911 COMZTJKRJXZAKB-GFCCVEGCSA-N 318.373 2.178 10 10 DECE C[S@@](=O)CCCNCc1cc(OC(F)(F)F)ccc1O 2361044567 AFRMSSMKHDDQJF-HXUWFJFHSA-N 311.325 2.149 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C1(N)CC1 1951533230 CFFMPPFGLUYTGN-CYBMUJFWSA-N 308.378 2.025 10 10 DECE Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 134420843 YCLNCPSYECEEHI-GFCCVEGCSA-N 315.421 2.215 10 10 DECE CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 269751190 DEJZBAHVGLYTQU-AWEZNQCLSA-N 320.408 2.449 10 10 DECE O=C1N[C@@H](c2c(O)cc(O)cc2O)[C@@H](Cc2ccccc2)O1 575257275 ZETHUTJCYJGNSH-UKRRQHHQSA-N 301.298 2.196 10 10 DECE Oc1ccc2ccncc2c1CN1CCN(c2cccnn2)CC1 725781097 MOZYXNYFZVLUIX-UHFFFAOYSA-N 321.384 2.053 10 10 DECE O=C(NCCC[C@H]1CCCC[C@H]1O)c1c(F)ccc(O)c1O 827099763 FMVZEJPUYXARJH-ZYHUDNBSSA-N 311.353 2.298 10 10 DECE CN(CCNC(=O)c1c(F)ccc(O)c1O)C1CCCCC1 825467556 ZISYTWVJUIOKCW-UHFFFAOYSA-N 310.369 2.231 10 10 DECE Cc1cc(CC(=O)NOCC(C)(C)O)c(C)n1-c1ccccc1 834628671 WIZJJPQAIGOMML-UHFFFAOYSA-N 316.401 2.455 10 10 DECE CN(C)c1ccc(/C=C/CN2CCN(CCCCO)CC2)cc1 835027189 DAVAYAIYSAQOES-AATRIKPKSA-N 317.477 2.156 10 10 DECE CCO[C@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1C 912293521 ZHQLRCHTQMAVFY-OSRSDYAFSA-N 318.417 2.061 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@H](N3CCCC3=O)C2)cc1 835050643 RAJFJXXLYZWDMT-YZTRRJNXSA-N 313.445 2.463 10 10 DECE Nc1ccc(CCNC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1 841958941 IALYJJHZXNXMJR-WBVHZDCISA-N 319.449 2.442 10 10 DECE O=C(COC(=O)c1nc2c(s1)CCC2)c1ccc(O)c(O)c1 842144635 MFNAFNHZPRKAHF-UHFFFAOYSA-N 319.338 2.083 10 10 DECE C[C@@H]1CNCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 841988360 UUDGQUJKJHDCDK-MLGOLLRUSA-N 317.433 2.068 10 10 DECE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2O)CC1 1952226523 SFIOGJXQIZCUFA-UHFFFAOYSA-N 307.394 2.027 10 10 DECE CO[C@@H](CS(=O)(=O)Nc1cc(Cl)c(O)cc1F)C1CC1 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COC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1635090452 DOQDRIWMYIXLSR-HNNXBMFYSA-N 315.369 2.014 10 10 DECE COCCNCc1ccc(N2CC[C@H](O)[C@H](C)C2)c(Cl)c1 166509597 FPMAOLSCPDIDDB-WBMJQRKESA-N 312.841 2.283 10 10 DECE CC(C)OC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 1276879 OSSQTJPYJNDUDG-POHAHGRESA-N 311.384 2.432 10 10 DECE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1C[C@@H]1CCCO1 1857909956 UBUCVTBHVFPCBB-INIZCTEOSA-N 314.385 2.497 10 10 DECE Oc1c(Br)cccc1CNCCN1C[C@@H]2C[C@H]2C1 1967784495 KWGICWVIUMHXNX-RYUDHWBXSA-N 311.223 2.196 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Nc1c(N)cccc1C(N)=O 1978883672 NKVDNMDZMMFGPV-NXEZZACHSA-N 322.409 2.081 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@H](C1)N2 2005598227 BTEASDMOQKIWQQ-AOOOYVTPSA-N 317.614 2.354 10 10 DECE N[C@H]1CN(Cc2c(O)cccc2Br)CC12CCC2 2028634033 NOWMEJRUBAQCRC-ZDUSSCGKSA-N 311.223 2.468 10 10 DECE CN(c1ccc(CN)c(Br)c1)[C@H]1CN2CC[C@H]1C2 2040885274 MYQQIKYJDUVDQF-FZMZJTMJSA-N 310.239 2.048 10 10 DECE C[C@H]1CCN(c2ccc(CO)c(Br)c2)C[C@H]1CO 700398376 GTFKGYRTNIPVQE-JQWIXIFHSA-N 314.223 2.396 10 10 DECE CCCN[C@@H](C)c1cnc(Sc2nnc3nc[nH]n23)s1 2159807026 FOPGFOBRYIFXPW-ZETCQYMHSA-N 309.424 2.121 10 10 DECE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 707163309 RJLFDKMUAWTGQP-MNOVXSKESA-N 316.854 2.244 10 10 DECE Cc1ccc(O)c(CN[C@H]2CON(C(=O)OC(C)(C)C)C2)c1 722502591 YHJOPARBJTXUOW-CYBMUJFWSA-N 308.378 2.341 10 10 DECE CCc1cc(CO)n(Cc2c(O)cccc2Br)n1 2070087235 RMHOYUTXTHCLCS-UHFFFAOYSA-N 311.179 2.454 10 10 DECE CN(C1CC1)C1CN(c2ccc(CO)c(Br)c2)C1 2052829824 BZBFHMMIWAFTQY-UHFFFAOYSA-N 311.223 2.224 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2c(Br)nnn2C)cc1 2100251622 YSWORTSMYBDMMU-SECBINFHSA-N 324.226 2.234 10 10 DECE Nc1c(Cl)cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cc1Cl 2112571738 URTKBZPNVXZTHM-FKQCQYRASA-N 301.173 2.455 10 10 DECE C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ccc(CO)cc1Br 2218464581 QDJJDPXWOLUXPW-GDLCADMTSA-N 312.207 2.291 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)CNC(=O)OCc1ccccc1 2209150926 HOKMESRCPZZWHT-STQMWFEESA-N 317.349 2.260 10 10 DECE CS(=O)(=O)c1sccc1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234165570 DOPHOJXSCZPQOS-RKDXNWHRSA-N 314.392 2.113 10 10 DECE Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccncn1 2294760808 FWZCEOWOFRYIMO-UHFFFAOYSA-N 316.411 2.373 10 10 DECE CCNC1CCN(C(=O)NCc2cnc(SC)s2)CC1 2285536906 BOLNUPMCZNVXBL-UHFFFAOYSA-N 314.480 2.149 10 10 DECE CNCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)c(Br)c1 2309934889 KUZOCKKPRNTAFP-ZLKJLUDKSA-N 311.223 2.128 10 10 DECE COc1ccc(N2CCN(C(=O)NCCC3CC3)CC2)cc1 75461125 ODBJHOAOEARPHV-UHFFFAOYSA-N 303.406 2.327 10 10 DECE Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(O)c1O 182824815 XFIGDWZHKAEASA-YVEFUNNKSA-N 305.374 2.173 10 10 DECE CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1=O 191663035 PEARLXIEQHFMHB-UHFFFAOYSA-N 301.434 2.341 10 10 DECE COC(=O)C[C@](C)(N)c1cc(Br)cc(F)c1O 1951965099 FCLMSCCNAISPST-NSHDSACASA-N 306.131 2.031 10 10 DECE COc1ccc(CN2CCNC(=O)[C@H]2c2ccccc2)c(O)c1 92676249 WJXDWGWHWZGXAF-QGZVFWFLSA-N 312.369 2.074 10 10 DECE CCN(CC)c1ccc(CN2CCN3CCOC[C@@H]3C2)cc1 375235717 BVCMWFYNAPNFRO-SFHVURJKSA-N 303.450 2.049 10 10 DECE CC(C)(C)OC(=O)NC/C=C\CNCc1ccc(O)cc1O 381868203 KSISMRGWOYAVKM-PLNGDYQASA-N 308.378 2.268 10 10 DECE CN(Cc1ccc2ccccc2c1O)[C@@H]1CCN2CCO[C@H]1C2 824501417 KFYPZLLJBFGEFE-MSOLQXFVSA-N 312.413 2.450 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2COCC2(C)C)cc1F 836638601 HPWGOGUTJGWBSW-CQSZACIVSA-N 309.385 2.116 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCn2ccnc21 836520462 YZNVUXUNIVMGRS-HNNXBMFYSA-N 313.405 2.202 10 10 DECE CC(C)CC[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1 841954549 NULIMGJSNWSXCT-KRWDZBQOSA-N 307.438 2.298 10 10 DECE COc1ccc(CNC(=O)C(C)(C)C(=O)OC(C)(C)C)c(O)c1 843875125 XCVUXGMDBOFTCH-UHFFFAOYSA-N 323.389 2.385 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCOC3)C1)OCO2 747833546 XTHJRFDVPUEEBL-QWHCGFSZSA-N 305.374 2.369 10 10 DECE COC(=O)[C@H]1CSCCN(Cc2cccc(Cl)c2O)C1 840977942 NVXOBHCOCDKTIA-LLVKDONJSA-N 315.822 2.384 10 10 DECE Cc1cc(O)c(CNCCS(=O)(=O)C(C)C)c(Cl)c1 840946448 KMPNCEHQPPGJNG-UHFFFAOYSA-N 305.827 2.267 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)CCOCC2CC2)cc1 844854210 KAAXGWWFACUUBM-UHFFFAOYSA-N 320.433 2.407 10 10 DECE COc1cc(Cl)cc(CN[C@H]2CNCCC2(F)F)c1O 841075618 SXKRWTOVNDMQNP-NSHDSACASA-N 306.740 2.141 10 10 DECE CC(C)(C)OC(=O)NC1(C(=O)O)CC(c2cccc(O)c2O)C1 1952491142 DKZRSIHJQQFZII-UHFFFAOYSA-N 323.345 2.323 10 10 DECE COC(=O)[C@@H]1C[C@]1(N)c1ccc(OCc2ccccc2)cc1O 1952841065 PBHXEWPNBXQNJG-YJBOKZPZSA-N 313.353 2.318 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H](C)c3nonc3C)C2)cc1 926680845 SMFDZXCRBURWHG-WCQYABFASA-N 302.378 2.316 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1CCCCN1C1CC1 922203828 DXPRFGVIFUIGIO-CYBMUJFWSA-N 321.396 2.347 10 10 DECE CCO[C@@]1(C)C[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 858257656 QYHHGTQEPAUWKT-MSOLQXFVSA-N 303.450 2.096 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)Cc3ccoc3)C2)cc1 855227897 RDVNWMKRQJEFMM-AWEZNQCLSA-N 300.358 2.226 10 10 DECE COC[C@H](CC1CCOCC1)NCc1cc(OC)ccc1O 850442410 CWSCQVNTMUWFDV-HNNXBMFYSA-N 309.406 2.322 10 10 DECE C/C=C\C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 861545801 BRAPXVXQKOJQSU-XQJDBVBESA-N 301.390 2.412 10 10 DECE Cc1cc(Cl)cc(CNCC(=O)NCc2ccco2)c1O 775934112 XEXZDBDSOKFHTH-UHFFFAOYSA-N 308.765 2.353 10 10 DECE C/C(=C/C(=O)N(CCC(N)=O)c1cccc(C)c1)c1cnccn1 1125725220 SAPSZSIUJAQRQH-KAMYIIQDSA-N 324.384 2.097 10 10 DECE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1-n1cncn1 1152574590 ZCQVUSSUMXBZQY-UHFFFAOYSA-N 320.352 2.437 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccsc2)c1 1437292151 FDJYFNNBIVUPRU-ARJAWSKDSA-N 301.371 2.179 10 10 DECE O=C(CSC[C@@H]1CCCCO1)NCc1cc(O)ccc1O 1455357963 YUIMYSLGABYWLI-ZDUSSCGKSA-N 311.403 2.016 10 10 DECE COc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@H](C)OC)C2)cc1C 1479353602 NJSAEBWFJMEMKA-BPUTZDHNSA-N 320.433 2.023 10 10 DECE C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)c2nccn21 1627597474 NEQOEXBTRMHVJT-BXKDBHETSA-N 312.333 2.481 10 10 DECE O=C(NCc1c(O)cccc1F)C1CN(C2CCCCC2)C1 1635367087 YIRPVQBVDPJJTL-UHFFFAOYSA-N 306.381 2.412 10 10 DECE O=C(Nc1cc(Cl)cnc1Cl)c1cc(O)nc(O)c1 2137727995 WCCZBPINJWFRKZ-UHFFFAOYSA-N 300.101 2.447 10 10 DECE O=C(CCSCc1ccccn1)NCc1cc(O)ccc1O 1651222702 NASWDJIOSRWWOZ-UHFFFAOYSA-N 318.398 2.433 10 10 DECE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCCCO 1857909748 KDDDQRQHIFMKAR-UHFFFAOYSA-N 316.401 2.481 10 10 DECE C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN=[N+]=[N-] 1880837316 NRIBUGOWGRLFTH-LLVKDONJSA-N 305.338 2.118 10 10 DECE Cn1nc(C(=O)NCc2ccccc2O)c(Cl)c1Cl 1966110095 WZBJHLFVCGTIBN-UHFFFAOYSA-N 300.145 2.363 10 10 DECE Oc1cc(Br)ccc1CNCCN1C[C@@H]2C[C@H]2C1 1967783564 BTNRMZNWCIKJBO-RYUDHWBXSA-N 311.223 2.196 10 10 DECE C[C@@H](NCc1c(O)cccc1Br)[C@@H]1COCCO1 1967898090 PZWSFBPRYXJOMN-RNCFNFMXSA-N 316.195 2.048 10 10 DECE C[C@H](CCNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1982315558 XQKWUKRVKQODGL-SNVBAGLBSA-N 324.377 2.131 10 10 DECE N[C@H](c1ccccc1O)[C@H](O)c1ccncc1Br 2031156166 BCPKKUPGMIBOHC-CHWSQXEVSA-N 309.163 2.283 10 10 DECE OCC[C@H](NCc1cccc(Br)c1O)C1CC1 304301167 FYONYKDYGKMDRC-LBPRGKRZSA-N 300.196 2.405 10 10 DECE COC1(OC)CC[C@H]1NCc1cccc(Br)c1O 710876586 VYTXQIYTTPNOSS-LLVKDONJSA-N 316.195 2.396 10 10 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C[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)[C@H](C)C1 70490833 RCSXANNJIUTCGQ-CHWSQXEVSA-N 312.435 2.098 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC[C@@H]1CCO 96785404 SLCGNICCQCCTFI-GXTWGEPZSA-N 307.390 2.040 10 10 DECE Cc1cc(CNC(C)(C)C)ccc1N(C)CCS(C)(=O)=O 94299178 POSPKFCVJPYDKK-UHFFFAOYSA-N 312.479 2.364 10 10 DECE CCN1C(=O)/C(=C/c2cccc(C(=O)O)c2O)SC1=S 606631183 FHPZMAPNYLZQHF-TWGQIWQCSA-N 309.368 2.312 10 10 DECE COc1ccc([C@@]2(C)CN(C(=O)OC(C)(C)C)CCN2)c(O)c1 1952062111 MCXGRHGDILHMKU-QGZVFWFLSA-N 322.405 2.456 10 10 DECE CCN(CC(=O)OC)Cc1cc(Br)cc(C)c1O 271735378 OMBUPXDVAVCSLU-UHFFFAOYSA-N 316.195 2.458 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C(F)(F)F)cc(Cl)n1 811230785 UYEUDVHODQJWAJ-UHFFFAOYSA-N 309.627 2.069 10 10 DECE Oc1cc(F)cc(F)c1[C@@H](C1CCOCC1)N1CCOCC1 575302241 JZRZWVCMCIWNPA-MRXNPFEDSA-N 313.344 2.470 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)C(F)(F)F)cc1 826019700 KEWYPKHWDYAXRL-CYBMUJFWSA-N 317.355 2.381 10 10 DECE C[C@@H](N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O 722502491 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DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@H]1C 925322757 BNYDRIGXNFVEQR-DZGCQCFKSA-N 305.422 2.406 10 10 DECE CCO[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCOC1 866763646 HBXIZUFUDPJHQE-OZVIIMIRSA-N 323.389 2.020 10 10 DECE Cn1cc(C(F)F)c(CNC(=O)NCc2ccccc2O)n1 869111107 ZFJSCWXEFKPEGH-UHFFFAOYSA-N 310.304 2.063 10 10 DECE COCc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 763324925 NBLKXBWPFGPLID-UHFFFAOYSA-N 320.418 2.020 10 10 DECE Cc1cccc(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1O 787304212 RTOBZZMUVAHANK-ZDWQKJMBSA-N 311.425 2.299 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@@]2(O)C1 895644474 AVNOHQLUZDGMFX-QPUJVOFHSA-N 318.598 2.375 10 10 DECE CN(CCCN=[N+]=[N-])C[C@@]1(O)CCN(Cc2ccccc2)C1 711191716 NQSKVODHUVNKCW-INIZCTEOSA-N 303.410 2.256 10 10 DECE Oc1c(F)cc(Br)cc1CNCCc1cc[nH]n1 715792893 RXYFDBYHVFSFSX-UHFFFAOYSA-N 314.158 2.349 10 10 DECE C[C@@H](O)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Cl)c1 716101449 MJBZWAGAQVGCSC-OIKLOGQESA-N 317.838 2.405 10 10 DECE CCOC(=O)[C@](C)(COCc1ccccc1)NCCN=[N+]=[N-] 699420639 YDHWHVJUTJUZIV-HNNXBMFYSA-N 306.366 2.425 10 10 DECE C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCc1c(O)cccc1F 1178413061 MHJVDMWRTIAHIY-QFYYESIMSA-N 321.323 2.451 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]1C 1322250074 ICWXSKRBMPWTAJ-HIFRSBDPSA-N 318.417 2.293 10 10 DECE COc1ccc(CNCC2CC(NC(=O)[C@H](C)OC)C2)cc1C 1275204315 JNRWASUOFBFGHO-JEYLPNPQSA-N 320.433 2.023 10 10 DECE Cc1ccc(O)c(CNc2nc(Cl)nc3[nH]c(O)nc23)c1 1612628066 LETKGOSTZHUZQT-UHFFFAOYSA-N 305.725 2.338 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 1544952526 BZPZMVLDMSXMOK-NSHDSACASA-N 315.377 2.063 10 10 DECE O=C(NCc1c(O)cccc1O)C(=O)c1ccc(Cl)s1 1635847263 LGJNQHORDRNWPB-UHFFFAOYSA-N 311.746 2.312 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(Cc3ccc(N)cc3)C[C@@H]21 1959938451 OSOQAVFNFFBECS-FICVDOATSA-N 303.406 2.224 10 10 DECE CCCNc1nc(Sc2nccs2)nc(-n2cccn2)n1 150293884 NHASORYPFJSCQI-UHFFFAOYSA-N 319.419 2.487 10 10 DECE COCCNCc1ccc(N2CC[C@H](N(C)C)C2)c(Cl)c1 164064101 BEEXRPFAOHLEMD-AWEZNQCLSA-N 311.857 2.216 10 10 DECE CC(C)N[C@](CSc1nccs1)(C(N)=O)C1(Cl)CC1 2141533823 NXIXIEYXLVZBST-GFCCVEGCSA-N 319.883 2.229 10 10 DECE CN(Cc1csnn1)c1ccc(CN)cc1Br 1945149730 KPQWSWVKVOEERJ-UHFFFAOYSA-N 313.224 2.396 10 10 DECE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1c(O)cccc1Cl 2152903643 BSLJCYRBEWCOKY-JSGCOSHPSA-N 317.838 2.491 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C(CO)[C@@H]3C2)c(Br)c1 2030275910 UTBRGLRHVLSZEH-FBIMIBRVSA-N 311.223 2.143 10 10 DECE CN1CCN(c2ccc(CN)c(Br)c2)C(C)(C)C1 2033035338 ZVVCUJPPOKLHCN-UHFFFAOYSA-N 312.255 2.438 10 10 DECE CCNCc1ccc(N(C)CCCO)cc1Br 310065833 JPDJFQZHCAPNAG-UHFFFAOYSA-N 301.228 2.377 10 10 DECE CCc1cnn(Cc2c(O)cc(O)cc2O)c1Br 2070246762 JADHFZMPMGOSSS-UHFFFAOYSA-N 313.151 2.373 10 10 DECE CC[C@@]12C[C@@H]1C(=O)N(c1ccc(N)cc1Br)C2=O 2069049257 UUUJNLILZHNQAN-AMIZOPFISA-N 309.163 2.321 10 10 DECE COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)cc1 2243999630 LCKOERMWSDCPIY-ZDUSSCGKSA-N 324.421 2.407 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccco2)C1 2308002212 HETDQQQFQJOUMV-MRXNPFEDSA-N 315.325 2.304 10 10 DECE Cc1ccc(CN2CC[C@@H](O)[C@H](F)C2)c(O)c1Br 2327627154 AEEOSPASJXQZSM-GHMZBOCLSA-N 318.186 2.368 10 10 DECE CN(C)Cc1cc(CNC(=O)c2cccc(O)c2O)ccc1F 187097497 QALVYWWBHXNEQP-UHFFFAOYSA-N 318.348 2.229 10 10 DECE CCOC(=O)C1CCN(c2ccc3c(c2)CCN3C(C)=O)CC1 71702344 VTENGVQQHWJQGX-UHFFFAOYSA-N 316.401 2.375 10 10 DECE COC(OC)[C@H](C)NCc1cccc(Br)c1O 79628415 QZMFRYKIEFRBEN-QMMMGPOBSA-N 304.184 2.252 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)NCc1ccccc1O 1963713992 CVAFUJQQWIWXKN-KRWDZBQOSA-N 320.389 2.408 10 10 DECE CN(C)c1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 366973841 CFJYBSOHPPGMII-OAHLLOKOSA-N 311.433 2.504 10 10 DECE CCOc1cccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)c1O 284209204 ZKGXUCWKBFQFCM-DZGCQCFKSA-N 311.422 2.039 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C 297466102 UITNSKYCQSTPKA-QWHCGFSZSA-N 321.396 2.212 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn[nH]c1 292036944 FJDRXVCOUSXYMR-UHFFFAOYSA-N 315.421 2.250 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 808533798 ASBZFGFCVBLFDF-UHFFFAOYSA-N 314.341 2.112 10 10 DECE COC(=O)COc1ccc(N(C)CCC[C@H]2CCOC2)cc1 828217580 FFRVDOODKGGNOA-AWEZNQCLSA-N 307.390 2.491 10 10 DECE C[C@@H]1CNC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 903963692 FYFYEFDEZPKSPW-UKRRQHHQSA-N 318.421 2.283 10 10 DECE CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)O[C@H](C)C2)cc1F 901933795 BLPFXKZXCGQJTA-WBMJQRKESA-N 324.396 2.346 10 10 DECE COc1cc(Cl)cc(CN2C[C@H]3CC[C@H]2[C@H]2CNC[C@@H]32)c1O 903962379 JGRPYOSVQYKSAQ-KJEVXHAQSA-N 322.836 2.484 10 10 DECE CCOc1ccc(CNC2(CO)Cc3ccccc3C2)c(O)c1 734846005 LXXDXRHELAPAOM-UHFFFAOYSA-N 313.397 2.410 10 10 DECE O=C(Cn1cnc2c1CCCC2)NCc1cc(Cl)ccc1O 846472669 DSCIDYJYKYMSBM-UHFFFAOYSA-N 319.792 2.437 10 10 DECE COc1cc(Br)cc([C@H]2NCCCC[C@H]2O)c1O 1952392813 BCLOPUPEDDIARG-ZYHUDNBSSA-N 316.195 2.339 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2cccc(O)c2O)C1 687744402 XKDWOCVDDSKLMA-QWRGUYRKSA-N 323.345 2.133 10 10 DECE CC(C)(C)OC(=O)N1CCC(N)(c2ccc(O)cc2O)CC1 1952425988 LVLCYQBBNYRMLT-UHFFFAOYSA-N 308.378 2.283 10 10 DECE CC(C)(C)OC(=O)NC1CC(C(=O)O)(c2cccc(O)c2O)C1 1952590521 PXLZUUQLRJCVRB-UHFFFAOYSA-N 323.345 2.107 10 10 DECE Nc1ccc(NC(=O)C(=O)NC2CCC3(CC2)CC3(F)F)cc1 850850834 IROOTNPXJQDDTO-UHFFFAOYSA-N 323.343 2.292 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CO[C@H](C2CC2)C1 858907731 PNDRSFSITGPQJZ-JSGCOSHPSA-N 310.781 2.412 10 10 DECE Nc1ccc(NC(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1 926145907 XOKBIZUGNBWJDZ-LDYMZIIASA-N 303.284 2.358 10 10 DECE CCOC(=O)CN(Cc1cc(OC)c(OC)cc1O)C1CCC1 768530963 QIRZGHLYXPCWJN-UHFFFAOYSA-N 323.389 2.327 10 10 DECE Cc1cc(C)nc(SCC(=O)N2Cc3cccc(O)c3C2)n1 871200026 YEVNPQSWTYNDOC-UHFFFAOYSA-N 315.398 2.434 10 10 DECE O=C(O)c1cc(=NCc2ccccc2O)[nH]cc1Br 2116853867 UQCWYKSMUDBTNE-UHFFFAOYSA-N 323.146 2.282 10 10 DECE COC(=O)Cc1ccnc(NCc2ccc(OC)cc2O)c1 1333723807 YRJCYNZGAIKGDG-UHFFFAOYSA-N 302.330 2.123 10 10 DECE CCOCC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C 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Cc1ncsc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 1179691335 IHGAHNYIACNTIG-HWKANZROSA-N 304.371 2.235 10 10 DECE CC[C@H](CNC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977677071 WYLBWXKQUADRKR-CQSZACIVSA-N 321.421 2.231 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)Nc1ccc(N)cc1 1977996581 QNQJIAJKUDQGCQ-MFKMUULPSA-N 320.393 2.304 10 10 DECE CN(C)c1ccc([C@@H](O)CN(CCN)Cc2ccccc2)cc1 1977938552 JQYKHMPEWOKKID-IBGZPJMESA-N 313.445 2.247 10 10 DECE Cc1cccc(CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c1O 1994451752 PNLGHYPDNWHZER-LBPRGKRZSA-N 322.405 2.478 10 10 DECE COc1cc(N)c(N2C[C@H](C)CC[C@H]2C2OCCO2)cc1OC 2152068918 LFVIVZBSJRZHFR-YPMHNXCESA-N 322.405 2.264 10 10 DECE Cn1nnc(Br)c1CN1CCC[C@@H](N=[N+]=[N-])CC1 2038006986 KJWWPPOTLZFHOY-MRVPVSSYSA-N 314.191 2.242 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC(C(F)F)C3)c(Cl)cc21 706453858 NNOPXDZTLALDIP-LLVKDONJSA-N 301.724 2.254 10 10 DECE OC[C@H](NCc1c(O)cccc1Br)C1CCC1 717642617 MSWZJBGMERRVJU-LBPRGKRZSA-N 300.196 2.405 10 10 DECE CCN(CC(=O)NC)c1ccc([C@H](C)N)cc1Br 723189956 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CN(C)CCCONCc1c(O)cccc1Br 1999416384 BJHHEXRRBHANIV-UHFFFAOYSA-N 303.200 2.128 10 10 DECE COC(=O)C(C)(C)CNCc1cc(Cl)cc(OC)c1O 312328776 DIOFYLMMYNYFSX-UHFFFAOYSA-N 301.770 2.343 10 10 DECE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Cl)c1 2170279411 XOCHGYIWCHOWOA-HBNTYKKESA-N 316.854 2.372 10 10 DECE CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccccc1O)C2=O 2059105891 DFYNGHVHFGIPBD-ZNXRZULTSA-N 300.402 2.398 10 10 DECE O=C(Nc1ccc(O)c(O)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 2064603091 CJOFJEMGNRXOPB-KKOKHZNYSA-N 317.263 2.392 10 10 DECE CCc1cc(C(=O)N(C)C)n([C@H](C)c2c(O)cccc2OC)n1 2070077579 VAXMDDHVMLVWKC-LLVKDONJSA-N 317.389 2.471 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1CCN[C@@H]2C[C@H]21 1235287463 CRYVROQFJVSBFS-GHMZBOCLSA-N 317.614 2.354 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC[C@@](F)(CN)CC2)s1 2284681788 GHYDGYHHDORJBK-GMZHKTEUSA-N 317.455 2.338 10 10 DECE C[C@@H](Oc1ccc(C=C2SC(=S)N(C)C2=O)cc1)C(=O)O 2294872104 UENOWBMPALYWLF-MRVPVSSYSA-N 323.395 2.370 10 10 DECE NCc1ccc(N2CCOC[C@@H](F)C2)c(F)c1Br 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DECE COCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1634372602 MPEJIPGLFNXZOX-UHFFFAOYSA-N 303.314 2.262 10 10 DECE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC=C(N)N3)c2C)c1 1635028130 SUMOMLLVEKWAEB-UHFFFAOYSA-N 310.401 2.471 10 10 DECE NC(=O)C[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1Cl 1566200041 KTTWYHDFUIRZBF-LLVKDONJSA-N 324.789 2.454 10 10 DECE CC(C)(C)OC(=O)NCCON[C@H]1CCc2cccc(O)c21 1928524898 PSEGTTLYFUEFPG-LBPRGKRZSA-N 308.378 2.425 10 10 DECE COC(=O)c1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)o1 1588155127 AQTFCZHYLALYKR-NTMALXAHSA-N 315.325 2.444 10 10 DECE C[C@@H](F)CCNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1699391783 UZWZJXBPENAFQU-GHMZBOCLSA-N 323.372 2.305 10 10 DECE CN(C)CCN(C[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1936976350 QOZUOAVECORPLT-CQSZACIVSA-N 323.437 2.191 10 10 DECE O=C(O)CCN(O)Cc1cc(Cl)cc(Br)c1O 2022985429 QPPGSTUVCXJUSP-UHFFFAOYSA-N 324.558 2.474 10 10 DECE C[C@H]1CN(c2ccc([C@@H](C)O)c(Cl)c2)CCS1(=O)=O 707381333 DZQRCCRNUGARAT-VHSXEESVSA-N 303.811 2.017 10 10 DECE CN[C@H](C)c1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 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115710053 LARXKVVYURSVDE-UHFFFAOYSA-N 308.341 2.245 10 10 DECE CCc1nc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cs1 180763592 YGMSYZHOJQUUGG-GQCTYLIASA-N 304.371 2.446 10 10 DECE COc1cccc([S@@](=O)CC(=O)Nc2ccc(N)cc2)c1 40963467 WWENBQCFTCZYQH-OAQYLSRUSA-N 304.371 2.024 10 10 DECE O=[N+]([O-])c1cc(F)cc([C@H](C(F)F)N2CCOCC2)c1O 575303492 YAMIAHJFZJMUDU-SNVBAGLBSA-N 306.240 2.078 10 10 DECE CCN(C)c1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1 830124842 RDSJZLDYOCNENF-INIZCTEOSA-N 317.433 2.417 10 10 DECE CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N(C)C)cc1 836223613 AUXRZNCAZXJRJO-ZBFHGGJFSA-N 305.422 2.055 10 10 DECE Cc1ccc(C(=O)N2CC[C@H](c3nccs3)C2)c(O)c1O 916238207 KFIOPECPQJXOFF-JTQLQIEISA-N 304.371 2.492 10 10 DECE COc1cc(O)c(CN(C)C2C[C@@H]3CC[C@H](C2)N3)cc1OC 843047240 PIILPFIXSBDAQE-PBWFPOADSA-N 306.406 2.124 10 10 DECE CN(C)[C@@H](CCNC(=O)NCc1ccccc1O)C(F)(F)F 915525863 TZZHYXZDUMRNJE-LBPRGKRZSA-N 319.327 2.074 10 10 DECE COc1cc(O)c(CN2CCO[C@@H](C3CCC3)C2)cc1OC 840177528 XWZMNHUEHXDSHX-QGZVFWFLSA-N 307.390 2.410 10 10 DECE CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C1CC1 849308456 OYFIBAVPTAOFOI-GFCCVEGCSA-N 305.783 2.212 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H]1c1cccc(O)c1O 1952591619 ZKJHFSZSSMTWLQ-YPMHNXCESA-N 308.378 2.497 10 10 DECE COc1ccc(N2CC[C@@H](CN[C@H]3CCNC34CCC4)C2)cc1 925709391 VFEWUGOLKMJKLH-YJBOKZPZSA-N 315.461 2.396 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)Cc3cncs3)C2)cc1 855226282 NEZAGTRCCDLTGH-GFCCVEGCSA-N 317.414 2.089 10 10 DECE C[C@@H](NCCc1nnnn1C)c1ccc(Cl)c(Cl)c1O 756677600 RIDAUIKYCYDTOM-SSDOTTSWSA-N 316.192 2.116 10 10 DECE COc1ccc(N2CC[C@@H](CN[C@@H]3CN4CCC[C@H]3C4)C2)cc1 926611494 LUHAVHNOCNOUDO-TXPKVOOTSA-N 315.461 2.205 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H]2CCN(CC(C)(C)O)C2)cc1 865659335 HNTKFVFSBLNVDR-RTRPANQVSA-N 317.477 2.201 10 10 DECE CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871200761 IINWEYHMLGQECS-OAHLLOKOSA-N 316.401 2.272 10 10 DECE C[C@@H](N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C 1119015918 WTDGCCFYYDKCHK-LLVKDONJSA-N 304.390 2.127 10 10 DECE CN(CCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 779503859 VOJWRPFXDVODSN-NTMALXAHSA-N 318.417 2.492 10 10 DECE CCOc1cccc(CN[C@H](COC)[C@H]2CCCOC2)c1O 886360468 WPIXKEJLWMNUGH-LSDHHAIUSA-N 309.406 2.322 10 10 DECE Cc1cc(Br)c(O)c(CN[C@@H](CO)C2CC2)c1 781631447 LACVKEYEKKBBQB-LBPRGKRZSA-N 300.196 2.324 10 10 DECE COC(=O)C[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 899107233 DHMKJFBSQAVLQA-YPMHNXCESA-N 318.373 2.149 10 10 DECE Nc1ccc(CCn2cc(I)cn2)cc1 70677142 KPHHGVRYPVAFFV-UHFFFAOYSA-N 313.142 2.313 10 10 DECE CCCN(Cc1ccccc1O)C(=O)C1CN(CC(F)F)C1 791383382 AECUYZXTBWKNEB-UHFFFAOYSA-N 312.360 2.328 10 10 DECE CCOc1ncc(C(=O)NCc2cccc(O)c2O)cc1Cl 1153792122 OONQNOGNIHSDHX-UHFFFAOYSA-N 322.748 2.475 10 10 DECE O=C(/C=C/c1cncc(O)c1)NCc1cccc(Cl)c1O 1159033494 JKBQDOBBPNIVMF-SNAWJCMRSA-N 304.733 2.476 10 10 DECE COC(=O)c1cnc(SCC(=O)Nc2ncccc2C)s1 1166234916 OIOQBCTUSMQJSZ-UHFFFAOYSA-N 323.399 2.364 10 10 DECE Oc1cc(Br)ccc1CNC1CC(n2ccnn2)C1 2127672025 SCIDMKYWAQXYBJ-UHFFFAOYSA-N 323.194 2.240 10 10 DECE COc1ccc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)s1 1912192190 BMSMVPDDISREOU-QMMMGPOBSA-N 302.381 2.078 10 10 DECE C[C@H](CCN(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 1290777375 FZMIDKNJRCPXFF-OAHLLOKOSA-N 303.450 2.491 10 10 DECE CCSCc1cc(C(=O)NCc2cccc(O)c2O)no1 1520508933 PHQMNOLXMSMNGO-UHFFFAOYSA-N 308.359 2.269 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(O)CCSC1 1540487099 MNKBMHZVSOPQMS-QGZVFWFLSA-N 320.458 2.113 10 10 DECE Cc1ccc(O)c(CNC(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 1470253870 ALMKAUNGUMQXCT-AWEZNQCLSA-N 310.353 2.443 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(OC)n1 1556515819 NXULFONFASMZOZ-UHFFFAOYSA-N 321.373 2.140 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnc([C@H](C)O)s2)c1 1631542933 NGKUKOQPBMXOIT-IUCAKERBSA-N 322.386 2.402 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1nccn2ccnc12 1644590957 WNHDXROGAJQNFJ-UHFFFAOYSA-N 302.721 2.018 10 10 DECE C[C@@H](N)c1ccc(N2CC([S@@](C)=O)C2)cc1Br 2004524970 BQAQTYUYYMHDDD-CQLKUDPESA-N 317.252 2.036 10 10 DECE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985101201 PBSRCAWXHLRVBF-LLVKDONJSA-N 321.381 2.297 10 10 DECE CCN[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 2030044367 YJHJAGILPHTEMT-NSHDSACASA-N 317.202 2.478 10 10 DECE CC(=O)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159809476 PXBDSZSJRSEZKH-UHFFFAOYSA-N 303.372 2.473 10 10 DECE O=C1Nc2cc(N3CC[C@@H]4C[C@@H]43)c(Br)cc2[C@H]1O 706775675 LKDGWIYMIQVKOB-MDSUWVFBSA-N 309.163 2.033 10 10 DECE COC(=O)C[C@@H](C)NCc1cc(Br)cc(F)c1O 715747364 ZKYRYOKNVGPMRI-SSDOTTSWSA-N 320.158 2.335 10 10 DECE CN1[C@H]2CC[C@H]1CN(Cc1cc(Br)ccc1O)C2 723686487 QKUYPPBCPPKANE-STQMWFEESA-N 311.223 2.433 10 10 DECE O=C(O)C[C@@H]1CCN1Cc1cc(Br)cc(F)c1O 2047052747 PNQKQJHJEQWQAK-VIFPVBQESA-N 318.142 2.343 10 10 DECE Oc1cc(Br)ccc1CN1CCNCC2(CC2)C1 2059458802 HGQFBVYHSOWCED-UHFFFAOYSA-N 311.223 2.340 10 10 DECE [N-]=[N+]=NCC1(CNS(=O)(=O)c2c(F)cccc2F)CC1 2235847235 LANCVYMGBPJWSF-UHFFFAOYSA-N 302.306 2.334 10 10 DECE Cc1cc(O)cc(C)c1NS(=O)(=O)c1c(Cl)cnn1C 2239725455 MSQZECBTTMBVEB-UHFFFAOYSA-N 315.782 2.197 10 10 DECE Cc1ccc(CN(C)c2ncncc2N)c(O)c1Br 2352662420 JAVAGNYPXPWHJZ-UHFFFAOYSA-N 323.194 2.472 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@H]2O)cc1 172555812 JLTOQYCDSGPMTL-JKSUJKDBSA-N 305.422 2.245 10 10 DECE COc1cccc(CNC(=O)[C@H](C)n2nc(C)cc2C)c1O 178250147 SXQOQRKSEVMCMG-LBPRGKRZSA-N 303.362 2.092 10 10 DECE Nc1ccc(CC(=O)NCc2cc(F)cc3c2OCOC3)cc1 178504345 XWBQINOSPOVESK-UHFFFAOYSA-N 316.332 2.133 10 10 DECE CN(CC[S@](C)=O)Cc1cc(OC(F)(F)F)ccc1O 2361157116 SDBJQXNVQHILIJ-FQEVSTJZSA-N 311.325 2.101 10 10 DECE CN(c1ccc(CN)cc1Cl)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361592216 CAOQMYAFMBYJKD-RYUDHWBXSA-N 316.854 2.201 10 10 DECE Cc1nn(C)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 189674368 DAXBIEJEBAAYTJ-UHFFFAOYSA-N 311.389 2.426 10 10 DECE Nc1ccc(OCCNC(=O)c2ccc(Cl)cc2O)cc1 38079572 ZFONGHVXWOOVMK-UHFFFAOYSA-N 306.749 2.437 10 10 DECE CCOC(=O)c1nn(C)cc1CN1CCc2cc(OC)ccc21 186151962 POXBNVLPUYLCLL-UHFFFAOYSA-N 315.373 2.168 10 10 DECE Nc1ccc(CC(=O)N2CCO[C@H](c3cccs3)C2)cc1 237894963 KMVIVDVAIMCSBA-AWEZNQCLSA-N 302.399 2.473 10 10 DECE C[C@H](N[C@H]1CCC[C@H]1O)c1ccc(N2CCC(O)CC2)cc1 246578075 YKXFOBOMXCZQGD-DOPJRALCSA-N 304.434 2.212 10 10 DECE CCOc1ccc(O)c(CNCc2ccc(NC(C)=O)nc2)c1 278597356 HNEUFSPRHXYEEZ-UHFFFAOYSA-N 315.373 2.434 10 10 DECE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(C)c(C)cc1O)C2 373491339 VACCKLNKHGAFDP-MAUKXSAKSA-N 319.401 2.021 10 10 DECE CCn1nc2c(cc1=O)CN(Cc1cc(Cl)ccc1O)CC2 371327792 OZCIYRXBIUWRDG-UHFFFAOYSA-N 319.792 2.181 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](c2ccc(O)c(O)c2)C1 382700786 OENVJDDQIKBZFB-NWDGAFQWSA-N 308.378 2.007 10 10 DECE COc1ccc(O)c(CNCC2(CC(N)=O)CCCCC2)c1 827750684 NJJGZMIRGJNJAG-UHFFFAOYSA-N 306.406 2.316 10 10 DECE Cc1cc(CN2CCNC(=O)CC2)ccc1N1CCCCC1 827675093 PTZSSNVSYCFZDP-UHFFFAOYSA-N 301.434 2.307 10 10 DECE O=[N+]([O-])c1cc(CN2CC(CCO)C2)ccc1N1CCCCC1 839140109 JTHBVTRDDAOMRM-UHFFFAOYSA-N 319.405 2.399 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c([nH]1)CCOC2 837321195 RAOBVLIMDGBBOS-UHFFFAOYSA-N 313.401 2.426 10 10 DECE C[C@@H](CC(=O)N(CC(=O)O)Cc1ccccc1O)C(F)(F)F 911492372 DRTHPWDVLSLMQF-VIFPVBQESA-N 319.279 2.394 10 10 DECE CC(C)OC[C@H](CO)N(C)C/C=C/c1ccc(N(C)C)cc1 835054830 ZKAVQDVUWHYADZ-DKFQHHCZSA-N 306.450 2.484 10 10 DECE COc1ccc(N2CCN(Cc3nn(C)cc3C)CC2)cc1 929152693 DSFNTTWSMBBGKQ-UHFFFAOYSA-N 300.406 2.059 10 10 DECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(CF)CCC1 1118208438 LSMUDMWSDFMLMT-UHFFFAOYSA-N 324.371 2.418 10 10 DECE CCN(Cc1cn(C)nn1)Cc1cc(Cl)cc(C(C)=O)c1O 782102673 MAHCGPAOLJXEGS-UHFFFAOYSA-N 322.796 2.399 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN1C 1135800630 KCWRAZKMUCBHRD-QGZVFWFLSA-N 301.434 2.339 10 10 DECE Oc1c(F)cc(F)cc1CN1CCC(Cn2cnnc2)CC1 895137492 WBXDGOIXYCNJHR-UHFFFAOYSA-N 308.332 2.174 10 10 DECE C[C@H]1COC[C@@H]1N(C)c1ccc(CO)c(Br)c1 688207812 GKUVSRTULSGNIT-ZANVPECISA-N 300.196 2.413 10 10 DECE CN(C(=O)CN1CCC(=CBr)C1)c1ccc(N)cc1 2115741776 SULIGRGANBTNRZ-UHFFFAOYSA-N 324.222 2.216 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=COCCO1 1525106665 KYYOBHZNVYOXSF-UHFFFAOYSA-N 302.374 2.133 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H](c2ncon2)C2CC2)cc1 1638893140 PSHDPKHQKZMLCJ-NSHDSACASA-N 314.305 2.113 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COc2cc(F)cc(F)c21 1638436025 WZHSBYVDCSBNKW-LLVKDONJSA-N 321.279 2.168 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn2nccc12 1638348770 ZLDXIFPORWGSLY-LLVKDONJSA-N 311.341 2.107 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/[C@H]1COC(C)(C)O1 1565701787 MMUBRPJKJRPWTP-FDMDGMSGSA-N 318.417 2.385 10 10 DECE CC(C)(CO)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1570873214 DYBOCSJQAKICER-CYBMUJFWSA-N 318.377 2.376 10 10 DECE C[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1O 1655349116 DGEOLIBLVAWPJT-GFCCVEGCSA-N 313.357 2.391 10 10 DECE COc1ccc(N2CCC(NC[C@@H]3CCCN3C)CC2)cc1 154573027 YRZXXUDYMSJDIA-KRWDZBQOSA-N 303.450 2.348 10 10 DECE C[C@H](Oc1ccc(N)cc1)C(=O)NCCc1nc2ccccc2[nH]1 1860078001 GOJTTZRLDYNTTJ-LBPRGKRZSA-N 324.384 2.271 10 10 DECE 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10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)[C@@H](OC)C2)c1O 278439534 VPNFKGZVPPCBCH-MFKMUULPSA-N 310.350 2.166 10 10 DECE O=C(Cc1ccncc1)NCc1cc(Br)ccc1O 804739089 QFPYYKNOJXRRLB-UHFFFAOYSA-N 321.174 2.409 10 10 DECE COC[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H]1CCCO1 294588961 HHTJNYDRPYOTPV-JSGCOSHPSA-N 303.761 2.468 10 10 DECE CCCN(Cc1ccccc1O)C(=O)COCc1nccn1C 816914193 IQGNPBUJICAPKR-UHFFFAOYSA-N 317.389 2.081 10 10 DECE COc1ccc(O)c(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1 827680486 OIKIBSYJFVDVCH-CYBMUJFWSA-N 306.406 2.137 10 10 DECE CCc1cccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O 827544605 GDPVOSLGJJHZFQ-OAHLLOKOSA-N 305.422 2.142 10 10 DECE CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 824728901 SPRMNMMLHCFESX-XYPHTWIQSA-N 318.417 2.205 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C(=O)O)C[C@H]1C 901604852 FOGSRLOEBJPCHA-PXAZEXFGSA-N 304.390 2.212 10 10 DECE Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccnc2c1CC(=O)N2 829639250 ZIHBKNCNBXZJOZ-NSHDSACASA-N 323.352 2.312 10 10 DECE 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CON(Cc1ccc(N2CCOCC2)cc1)CC1CCOCC1 930353344 FTKBFYAPCKFLNA-UHFFFAOYSA-N 320.433 2.313 10 10 DECE Cc1cc(Cl)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O 775745523 WWEDDFJEGVHUEH-ZDUSSCGKSA-N 310.781 2.381 10 10 DECE CCN(CC)c1ccc(CNCCC2CS(=O)(=O)C2)cc1 786825568 WIEGJELQUKHTRP-UHFFFAOYSA-N 310.463 2.057 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC([C@H]2CCOC2)C1 897618425 CABOCHROICYKBP-VIFPVBQESA-N 319.382 2.421 10 10 DECE O=C(COC(=O)c1cc[nH]c1C1CC1)c1ccc(O)c(O)c1 792417174 FGQSPTXWJAIGPK-UHFFFAOYSA-N 301.298 2.343 10 10 DECE [N-]=[N+]=NCCNC(=O)c1csc(I)c1 86690054 RLNOYTCONMDBHR-UHFFFAOYSA-N 322.131 2.393 10 10 DECE CCN(CC)C(=O)c1cccc(N=Nc2c(N)n[nH]c2N)c1 1081117321 XWOGCIVZMMOWSW-UHFFFAOYSA-N 301.354 2.472 10 10 DECE C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1162061427 YXPPEWNLNPKAJR-JFGNBEQYSA-N 304.350 2.392 10 10 DECE O=C(NCc1ccccc1O)C(=O)Nc1ccc2cc[nH]c2c1 1321129323 DUBPTLVHSWQVQR-UHFFFAOYSA-N 309.325 2.128 10 10 DECE Oc1cccc(Br)c1CNC1CC(n2ccnn2)C1 2127673539 XAEXSSVCDSXSFF-UHFFFAOYSA-N 323.194 2.240 10 10 DECE CN1CCCc2cc(CNC(=O)N3CC[C@]34CCOC4)ccc21 1331585674 QMHJRNJIBSCICR-GOSISDBHSA-N 315.417 2.143 10 10 DECE CN(C[C@@H](O)COCc1ccccc1)c1ccc(CN)c(F)c1 1916363480 ALYOEIOUJKTGLS-QGZVFWFLSA-N 318.392 2.298 10 10 DECE CCN[C@H](c1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1921025481 MECVDEZGEKZADR-CQSZACIVSA-N 322.405 2.025 10 10 DECE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc2n(n1)CCCC2 1628006914 NVINGHOMZHCHOR-LLVKDONJSA-N 315.373 2.051 10 10 DECE C=CC(=O)Nc1ccc(O)c(C(=O)NCc2ccccc2O)c1 1630363045 GWRHKBZMJTTWPI-UHFFFAOYSA-N 312.325 2.152 10 10 DECE CNc1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 1630531821 CTOJSXAZXOGAAA-UHFFFAOYSA-N 308.341 2.307 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2cncs2)cc1C 1569047419 KDSLVJUWOUSLCD-LBPRGKRZSA-N 319.430 2.368 10 10 DECE CC(C)(C)OC(=O)[C@@H](C(=O)NCc1c(O)cccc1O)C1CC1 1647289385 BQEBKBOFGCNSSC-CQSZACIVSA-N 321.373 2.082 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1nc2c(s1)CCCC2=O 1648249346 AVIFGMIJUFNKDU-UHFFFAOYSA-N 318.354 2.255 10 10 DECE O=C(COc1cccc([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1 1587927878 DGXUFLCNVQECPC-UHFFFAOYSA-N 314.297 2.222 10 10 DECE CC(=O)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1O 1654624762 OQNOVRUXBSKRRE-UHFFFAOYSA-N 305.261 2.397 10 10 DECE CN(C)c1cccc(NS(=O)(=O)c2cc(N)ccc2F)c1 161062817 KEVPRYZQLLQNFM-UHFFFAOYSA-N 309.366 2.275 10 10 DECE OCc1ccc(N2CCCC[C@@H](O)C2)c(Br)c1 2003384530 MGWOKKMPHFYJGB-LLVKDONJSA-N 300.196 2.293 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1985095599 GTCQFMIWNPRYCQ-MNOVXSKESA-N 323.397 2.354 10 10 DECE CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1 1985101945 ZTCFSPYVGDANFV-NSHDSACASA-N 323.397 2.450 10 10 DECE N[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC12CC2 2034689934 FZNVMMWFHLQFSL-LLVKDONJSA-N 315.186 2.217 10 10 DECE Nc1ccc(CCNC(=O)c2cccnc2Br)cc1 702064970 HWAWCPIMMJLPPF-UHFFFAOYSA-N 320.190 2.399 10 10 DECE CN1[C@H]2CC[C@H]1CN(c1ccc(CO)c(Br)c1)C2 723912719 UYVSYXMTFYWRSU-STQMWFEESA-N 311.223 2.224 10 10 DECE C[C@@H](CCNS(=O)(=O)Cc1ccc(N)cc1)P(C)(C)=O 2192492720 DJPIKJSACJGJQU-NSHDSACASA-N 318.379 2.090 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)cc1Br 2051365504 GKPKJHKHGMRXIX-ISTVAULSSA-N 312.207 2.464 10 10 DECE CCN(C(=O)c1c[nH]nc1Br)c1ccc(N)cc1 2070679898 CBLAIJQQFCZTHH-UHFFFAOYSA-N 309.167 2.421 10 10 DECE Nc1ccc(CN(C2CC2)S(=O)(=O)C2(Cl)CC2)cc1 2088821015 FPCTXLPZWIBLCU-UHFFFAOYSA-N 300.811 2.292 10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@H]2OC)c1O 2214865785 CAZPHTRBXVAILN-MWLCHTKSSA-N 302.168 2.040 10 10 DECE COc1ccc(N(C)C2CSCCSC2)c(CCN)c1 2237060907 INNYPBRNZFPTKK-UHFFFAOYSA-N 312.504 2.481 10 10 DECE CSc1ncc(CNCc2ccc(OCCN)cc2)s1 2284725006 IVXXHHWPDACBEO-UHFFFAOYSA-N 309.460 2.492 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@@H]1Nc1c(N)cccc1Br 2303214650 LGJOFMGKZNSPDN-VHSXEESVSA-N 319.224 2.019 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ccccc2)CC1 2307978892 UDDSUIRTIFDYQV-UHFFFAOYSA-N 324.380 2.460 10 10 DECE Cc1ccc(CN(O)CCC(=O)O)c(O)c1Br 2307477177 JXSSPVWLHQKKCN-UHFFFAOYSA-N 304.140 2.129 10 10 DECE NCc1ccc(N2C[C@@]3(CO)CC[C@H]2C3)c(Br)c1 2314907217 IBGUWYREFDMNRK-SMDDNHRTSA-N 311.223 2.259 10 10 DECE CC(=O)NCCN(C)Cc1ccc(C)c(Br)c1O 2327582012 PFVIYMOSPMDVMC-UHFFFAOYSA-N 315.211 2.031 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@@H](O)[C@H]3C2)c(O)c1Br 2327628828 LGPWJWJJNANGIH-SDDRHHMPSA-N 312.207 2.276 10 10 DECE CCN(C(=O)c1c(Br)ncn1C)c1ccc(N)cc1 2337275206 RZLDAYWFNDGPQY-UHFFFAOYSA-N 323.194 2.432 10 10 DECE CCOCCOCCSc1ncc(C(=O)OCC)s1 2340177200 MXZZAYAQMQVAHV-UHFFFAOYSA-N 305.421 2.465 10 10 DECE CCN[C@@](CSc1nccs1)(C(=O)O)[C@H]1CC1(F)F 2352307608 ZFMMJCQDCWCMBF-GMSGAONNSA-N 308.375 2.323 10 10 DECE CNCCc1cncn1Cc1ccc(C)c(Br)c1O 2352620301 ORAPTNJHMDMZRA-UHFFFAOYSA-N 324.222 2.470 10 10 DECE Cc1ccc(CNC(=O)c2cnccn2)c(O)c1Br 2352931847 DUNDMXRVDJVMFK-UHFFFAOYSA-N 322.162 2.183 10 10 DECE O=C(CSc1nccs1)NCCN1CCc2ccccc21 52914727 WXMGWPDUGSAPCA-UHFFFAOYSA-N 319.455 2.414 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncnn2C)cc1 173418582 PFNVWFKWWCXYPC-UHFFFAOYSA-N 309.373 2.153 10 10 DECE Cc1cc(C)n(C[C@H]2CN(Cc3ccccc3O)CCO2)n1 179572587 AYYQFSZFIXNWHC-MRXNPFEDSA-N 301.390 2.107 10 10 DECE CC(C)[C@@H](O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 178344380 MHEXXBNPHWLZHB-KDOFPFPSSA-N 306.450 2.315 10 10 DECE Oc1ccc(Cl)cc1CN1CCO[C@H](Cn2cccn2)C1 122222102 GYBDREFKDLLSLE-AWEZNQCLSA-N 307.781 2.143 10 10 DECE O=C(CSc1nccs1)NCc1ccccc1[N+](=O)[O-] 48876487 ZBTIOBMUVCWOKY-UHFFFAOYSA-N 309.372 2.460 10 10 DECE Cc1ccccc1[S@](=O)CC(=O)N(C)c1ccc(N)cc1 40971463 XMJAOMJBMMLXHY-NRFANRHFSA-N 302.399 2.348 10 10 DECE COc1ccc(N2CCC[C@@H](N)C2)c(OC)c1Br 234974929 OUFKDMVYQHUGGP-SECBINFHSA-N 315.211 2.394 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCOC[C@@H]1C1CC1 93645466 SEJRFIDWELBWPK-GOSISDBHSA-N 302.418 2.134 10 10 DECE COc1cc(O)c(CN(C)C[C@H]2CCCC[C@H]2O)cc1OC 245895577 CZDVVWUNBIXOCK-TZMCWYRMSA-N 309.406 2.392 10 10 DECE CNC(=O)c1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)cc1 255562260 LJYYWGLRTMECKM-XFXZXTDPSA-N 324.380 2.424 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@@H]1COC2(C)C 611658207 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CN(CCCN=[N+]=[N-])C(=O)[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1985094701 SMQRUXDPVMVABH-IAQYHMDHSA-N 323.397 2.402 10 10 DECE Cc1cc([C@H](NCCN=[N+]=[N-])C(N)=O)sc1Br 2023670061 GJNNOQTZPBCJNL-ZETCQYMHSA-N 318.200 2.245 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1Br 2033983977 PVPTUHJQIGBTRC-YYESSMSJSA-N 312.207 2.319 10 10 DECE C[C@H](c1cc(F)ccc1O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 2170656183 ITNBLYUKBCECDA-GMTAPVOTSA-N 303.399 2.346 10 10 DECE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C)c(C(N)=O)c1N 2079928365 FHRGHGVPKDBWDM-LBPRGKRZSA-N 302.378 2.194 10 10 DECE C[C@@H](N)c1ccc(N2CC3(CC[C@H]3O)C2)c(Br)c1 2059156968 LXQIXWSDCKAOQT-NOZJJQNGSA-N 311.223 2.430 10 10 DECE CN1CCc2cc([C@H](N)c3cc(Br)n(C)n3)ccc21 2106798569 MEHAAPGEOIQWBG-AWEZNQCLSA-N 321.222 2.223 10 10 DECE OCc1ccc(N2CC[C@@H](N3CC=CC3)C2)c(Br)c1 2114064579 LBKMNLZYGQHLLH-CYBMUJFWSA-N 323.234 2.392 10 10 DECE COc1cccc(O)c1CN=c1[nH]nc(Br)s1 2213671299 MKIXAZTVUPLZJD-UHFFFAOYSA-N 316.180 2.049 10 10 DECE CN(Cc1c[nH]nc1CCN)c1ccc(Br)cc1 2219850318 HVDPRDPHUKOHIG-UHFFFAOYSA-N 309.211 2.310 10 10 DECE COCCNCc1cnc(SC[C@@H](OC)C2CC2)s1 2232238447 OIDWMIMBTIBSHP-GFCCVEGCSA-N 302.465 2.396 10 10 DECE CC[C@H](C)NCc1ccc(N(C)C(CO)CO)cc1Cl 2240047626 RXQGKUJVIXNRLU-NSHDSACASA-N 300.830 2.018 10 10 DECE CC[C@@H](C)[C@H](NCc1ccc(Br)cc1O)C(N)=O 2264217515 KVVDUOHGBWUTCG-PELKAZGASA-N 315.211 2.144 10 10 DECE CCCC[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284545087 WECCGNQRNMZTCT-VIFPVBQESA-N 317.436 2.308 10 10 DECE CN(C(=O)/C=C\c1cnccn1)c1ccc(Br)nc1 493432419 KYNMGVNAQGXBPM-DJWKRKHSSA-N 319.162 2.310 10 10 DECE CC=CC[C@@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 2309483239 CUCNXPFIBXYWLD-NSHDSACASA-N 300.742 2.371 10 10 DECE Cc1ccc(CN=[S@](C)(=O)CCN)c(O)c1Br 2307481088 AURVETIHNRDYRG-QGZVFWFLSA-N 321.240 2.020 10 10 DECE CO[C@H]1COCCN(Cc2c(O)cccc2Br)C1 2326669728 PZVZNPWWYAVREB-SNVBAGLBSA-N 316.195 2.002 10 10 DECE Cc1ccc(CNOCCCN(C)C)c(O)c1Br 2327799895 BZZLISPBAJSRRC-UHFFFAOYSA-N 317.227 2.436 10 10 DECE Cc1ccc(CNC2CC3(CNC3)C2)c(O)c1Br 2327800758 NTULILHEQJFGFC-UHFFFAOYSA-N 311.223 2.305 10 10 DECE CCNCc1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2342106798 XICQJFRLWMZYTQ-MWLCHTKSSA-N 320.505 2.310 10 10 DECE COc1ccc(N2CCC(NC(=O)C3=COCCC3)CC2)cc1 107586015 NCJXQSACBKSXGP-UHFFFAOYSA-N 316.401 2.475 10 10 DECE COc1ccc(N2CCCN(C(=O)C(C)(C)OC)CC2)cc1 170963496 XBMGMBJNTRZRPJ-UHFFFAOYSA-N 306.406 2.159 10 10 DECE Nc1ccc(Nc2ncc(I)cn2)cc1 126184149 IFILQSNOBGNREO-UHFFFAOYSA-N 312.114 2.407 10 10 DECE COc1cc(N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC 125694053 CEAKWKAQVFFQDZ-UHFFFAOYSA-N 310.394 2.063 10 10 DECE Cc1noc(C)c1[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 92324631 MXRCMKXJFVBQJW-JTQLQIEISA-N 309.391 2.054 10 10 DECE N#Cc1ccc(CNCc2cc3c(cc2O)OCO3)c(F)c1 238131135 SNAVHWCJGLXWJJ-UHFFFAOYSA-N 300.289 2.421 10 10 DECE CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@]2(CCOC2)O1 366288591 VSUMPUGBTUYZHD-YOEHRIQHSA-N 307.390 2.171 10 10 DECE Cc1cc(Cl)cc(CN2CCOC[C@H]2c2ncon2)c1O 374830022 WNWQBVBJAXUDLU-LBPRGKRZSA-N 309.753 2.311 10 10 DECE CN(C)c1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1F 289073034 AKWZPHOQDLRYOR-KRWDZBQOSA-N 308.397 2.273 10 10 DECE OC[C@H](CNCc1c(O)ccc(Cl)c1F)c1cccnc1 808430128 BTAJTPNNWWIZBW-NSHDSACASA-N 310.756 2.445 10 10 DECE N=C1COC[C@H](c2c(Cl)ccc(Br)c2O)N1 396805563 JQIIXWINVYAOPZ-SSDOTTSWSA-N 305.559 2.446 10 10 DECE CN1CCCc2cc(CNC(=O)CN3CC(C)(C)C3)ccc21 816910412 FZBJIDKOYSLVCY-UHFFFAOYSA-N 301.434 2.027 10 10 DECE COc1ccc(O)c(CNC(=O)C[C@H](C)n2ccc(C)n2)c1 830545081 WIFCCWNIPFVJBA-LBPRGKRZSA-N 303.362 2.173 10 10 DECE CCN(C/C=C\c1ccc(N(C)C)cc1)CCS(C)(=O)=O 835028182 JSNZOSDGSJKVKU-SREVYHEPSA-N 310.463 2.132 10 10 DECE Cc1cc(Cl)cc(CNC[C@H]2CC(=O)N(C3CC3)C2)c1O 846071081 BSKUSKYLCCDCJR-LLVKDONJSA-N 308.809 2.455 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCN(C(=O)C(C)C)CC1 840910648 VPLQCEMYWPUANF-UHFFFAOYSA-N 303.450 2.361 10 10 DECE CCCc1ncc(CNC(=O)NCCc2ccc(N)cc2)o1 841914047 UUMVCOLTIDLJRF-UHFFFAOYSA-N 302.378 2.251 10 10 DECE COc1ccc(N2CCN(Cc3cnn(CCF)c3)CC2)cc1 929153111 PJYYQXFMVPTXLF-UHFFFAOYSA-N 318.396 2.183 10 10 DECE NCc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1 923285906 HTIUQBFXVHCABK-KRWDZBQOSA-N 312.413 2.338 10 10 DECE CC(C)O[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCOC1 925746656 XJJJTZHMRQDSHQ-QGZVFWFLSA-N 322.405 2.118 10 10 DECE CN1C[C@@H](N(C)C/C=C/c2ccc(N(C)C)cc2)CCC1=O 862428442 QIFZNLHKTRUULL-RTRPANQVSA-N 301.434 2.318 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1 868899455 VMLJFFVDURJZHZ-AYGWYOGXSA-N 308.378 2.327 10 10 DECE C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CN1 863545160 JQBBTHAQHFYOGM-IIAWOOMASA-N 321.440 2.453 10 10 DECE COC[C@H](C)OC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 867429300 WYYWNHDHRRECNF-KBPBESRZSA-N 322.405 2.283 10 10 DECE C[C@]12COC[C@@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 898785202 XNPMSPMVYHBERT-QFYYESIMSA-N 319.382 2.421 10 10 DECE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 390797682 ULYXKSFGTCUVSP-MRXNPFEDSA-N 317.393 2.396 10 10 DECE Oc1ccc(Br)cc1CN[C@@]12CCCN(CC1)C2 714912766 VJIYVAGMJCGQJU-AWEZNQCLSA-N 311.223 2.483 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc(Cl)nc2N)cc1F 1142566184 ZTHILFMXKIXUQO-UHFFFAOYSA-N 322.771 2.452 10 10 DECE COC(=O)c1nccnc1NCc1ccc2cccnc2c1O 1307146989 YMMWAFVYEFFKDN-UHFFFAOYSA-N 310.313 2.129 10 10 DECE CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C12CCC2 1445594812 NOPJYIITVYATIG-HZPDHXFCSA-N 319.401 2.446 10 10 DECE COc1ccc(C(=O)NCc2c(O)cccc2F)cc1OC 1456086732 HCJCMBCDNKXAOG-UHFFFAOYSA-N 305.305 2.479 10 10 DECE CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1602876646 JYDMBUYBTAEHMX-UHFFFAOYSA-N 314.341 2.262 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2cncn2c1 1468835331 NCOQBHFHIFCUIL-ZZXKWVIFSA-N 309.325 2.075 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCOc1ccccc1Cl 1546052861 INSSBOMUYALNFX-UHFFFAOYSA-N 321.760 2.489 10 10 DECE C[C@@H]1CCCCN1CCCNC(=O)Cc1ccc(O)c(O)c1 1628693863 VDUNJOPOOHUMAP-CYBMUJFWSA-N 306.406 2.021 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc(F)cc([N+](=O)[O-])c1 1558174003 BHQUGXWRJWRIAK-UHFFFAOYSA-N 306.249 2.075 10 10 DECE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1O 1648889770 LACDXALRDHLTEG-SECBINFHSA-N 302.286 2.497 10 10 DECE Cc1nc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1774180534 IBLZYGDWGYBKKG-UHFFFAOYSA-N 309.373 2.451 10 10 DECE CO[C@@]1([C@@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936982903 HKRWOKKJZLEXHS-YOEHRIQHSA-N 322.405 2.418 10 10 DECE Cc1ccc(CNC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(O)c1 1876124839 GGSRXGLJMRPUTF-KRWDZBQOSA-N 324.421 2.066 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCCN=[N+]=[N-])CCO1 1962287796 NEZICJJUNTVBAO-NWDGAFQWSA-N 313.402 2.301 10 10 DECE COc1ccc(Br)c(CN[C@@H]2CCOC2)c1O 1964040146 NCVLRSDKHJMOSE-MRVPVSSYSA-N 302.168 2.042 10 10 DECE COC1(CF)CN(c2ccc(CN)cc2Br)C1 2003166006 CFDAXYXKUGTBNU-UHFFFAOYSA-N 303.175 2.083 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC=CCC3)c(Br)cc21 167761073 LBBNJMQWZXDYJE-CYBMUJFWSA-N 322.206 2.428 10 10 DECE CC(C)NCc1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2152287268 YLJPCARKRCVPGK-UHFFFAOYSA-N 316.854 2.071 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)C3)cc1Br 2037417060 RKEMNHWHBGLNEE-PTEHBNRSSA-N 311.223 2.400 10 10 DECE C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1C(=O)O 706626460 SUXYCLXQHLCHGE-IUCAKERBSA-N 314.179 2.307 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)cc1Br 2052013996 KOOHVAOJFWPTQI-AOGLXQGOSA-N 312.207 2.462 10 10 DECE CN[C@@H](C)c1ccc(N2CC=C[C@@H]2CO)c(Br)c1 2056284724 YFGGKTQBFQINNJ-CMPLNLGQSA-N 311.223 2.467 10 10 DECE NCc1cc(F)c(N2CC(N3CCSCC3)C2)cc1Cl 2191170480 UYGBYRCCQNDERX-UHFFFAOYSA-N 315.845 2.175 10 10 DECE NCc1ccc(N2CC[C@H](O)[C@H]2C2CC2)c(Br)c1 2067013329 SQKCFZZWADZMNA-UONOGXRCSA-N 311.223 2.257 10 10 DECE OCc1ccc(N2CC[C@@H](O)[C@H]2C2CC2)cc1Br 2067007546 JUPBVIZPSPMQEK-ZIAGYGMSSA-N 312.207 2.291 10 10 DECE COc1ccc(N(C)CC2(O)CC2)c(OC)c1Br 2317881934 ATEVTVWBAYFLHZ-UHFFFAOYSA-N 316.195 2.427 10 10 DECE OCC(F)(F)C(F)(F)CNCc1cccc(Cl)c1O 2336524247 IRRKPRXQDIQORZ-UHFFFAOYSA-N 301.667 2.398 10 10 DECE Cc1ccc(CN=c2ccc(N)c(N)[nH]2)c(O)c1Br 2352621943 AKYIIMDGJGZTGJ-UHFFFAOYSA-N 323.194 2.057 10 10 DECE COc1ccc(N2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)cc1 178076651 GIKDFOOEFYRZBB-HZPDHXFCSA-N 300.402 2.390 10 10 DECE C[C@@H](N)c1ccc(N2CCN(CCN(C)C)CC2)c(Cl)c1 61698260 IJEVLSUBPPJSJL-CYBMUJFWSA-N 310.873 2.043 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)CCCO 305089310 WANRZHGAFYZPGH-NSHDSACASA-N 301.346 2.141 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C)CC2)cc1C 1269469461 VRJLRAOZRCHSHM-IUODEOHRSA-N 302.418 2.398 10 10 DECE CNCc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Cl)c1 400886856 GCBDHACPFSBRBP-GHMZBOCLSA-N 316.854 2.071 10 10 DECE CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 33784974 ISHYSZDEAUYISB-XYOKQWHBSA-N 312.281 2.167 10 10 DECE CC(C)(C)OC(=O)Nc1ccc(O)c([C@]2(C)COCC(=O)N2)c1 1952025942 HPKUCUOWUSJWRY-INIZCTEOSA-N 322.361 2.101 10 10 DECE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)cc1 195144311 YVVODZFKUQAACP-UHFFFAOYSA-N 314.345 2.294 10 10 DECE O=C(NCc1ccccc1O)NC[C@H]1CCN1C1CCCC1 528290033 WKANQAHYUFFUIH-OAHLLOKOSA-N 303.406 2.208 10 10 DECE COc1cc(C)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O 246485227 JVJBIMPBFKPHFF-ZBFHGGJFSA-N 307.390 2.089 10 10 DECE CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 249034442 WZLIOUKTDHQVEZ-KBPBESRZSA-N 303.362 2.354 10 10 DECE O=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)cc(O)c1O 575269525 QVDGBOSPSOGNPJ-OAHLLOKOSA-N 321.377 2.143 10 10 DECE COC(=O)N(C)CCN(C)Cc1c(O)cc(C)cc1Cl 827345719 BMFSZRKZEOMZAP-UHFFFAOYSA-N 300.786 2.484 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCn3ccnc32)c1 834829924 ABNFCFJAWIGHCV-MFKMUULPSA-N 301.346 2.171 10 10 DECE Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3COCCO3)sc2n1 837385198 UKQBFDONTSTQSA-JTQLQIEISA-N 322.386 2.068 10 10 DECE C[C@@H](CC(F)(F)F)C(=O)OCC(=O)c1ccc(O)c(O)c1 838401782 KALQBHDWDNMVHS-ZETCQYMHSA-N 306.236 2.412 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C1CC(O)C1 1952345504 DJCRBKIDTZBHJP-WXRRBKDZSA-N 323.389 2.305 10 10 DECE O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(O)c1O 848345977 AODPFBURTFAYBI-KCJUWKMLSA-N 319.279 2.328 10 10 DECE C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)c1ccc(N(C)C)cc1 848598989 VYEVFOLDLSTYAB-JOYOIKCWSA-N 318.343 2.002 10 10 DECE CN(C)CC[C@@H](NC(=O)Nc1ccc(N)cc1)c1cccnc1 926140615 BPDCYUIFXVVKPG-MRXNPFEDSA-N 313.405 2.478 10 10 DECE COc1ccc(N2CCC(NCCCN3CCC3)CC2)cc1 848545101 RJQLIVRROIWZTC-UHFFFAOYSA-N 303.450 2.349 10 10 DECE Cc1cc(N(C)C)ccc1CNCc1c2c(nn1C)CCOC2 921748534 WQMFWVFCYNOHGK-UHFFFAOYSA-N 314.433 2.157 10 10 DECE CCCOc1ccc(CNC[C@@H](O)c2ccnn2C)cc1C 922971466 YZNNIDNHLFLXDN-MRXNPFEDSA-N 303.406 2.341 10 10 DECE C[C@H]1[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCN1C 928427350 JNDKGJMRFFIACH-WCBMZHEXSA-N 306.387 2.135 10 10 DECE COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc2c(c1)CCCN2C 850099578 OZQAHRCOKMRORW-UHOFOFEASA-N 302.418 2.356 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1c1ccc(N)cc1O 1953032445 ZMOGAHSFVBPVFG-OCCSQVGLSA-N 307.394 2.244 10 10 DECE CCOCc1cc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc1OC 922725061 KTHVFSIQDRWEDW-RYRKJORJSA-N 321.417 2.125 10 10 DECE CN1CCN(c2ccc(CN[C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 858297996 HYZHCQLMPDTHAV-IEBWSBKVSA-N 315.461 2.096 10 10 DECE COC(=O)c1cc(OCc2nccnc2C)ccc1N(C)C 865395539 VBCOJEBXXNZRON-UHFFFAOYSA-N 301.346 2.217 10 10 DECE O=S(=O)(CCc1ccccc1F)N1Cc2cccc(O)c2C1 867690922 NWBHTDDBJJTWNM-UHFFFAOYSA-N 321.373 2.419 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC12CCOCC2 871583499 SLPQNTVNUWKRHM-XBPVQUQDSA-N 317.385 2.434 10 10 DECE COc1ccc(N2CCC(N[C@@H](C)c3ncnn3C)CC2)cc1 788985698 XWBDQFYUMNCNTD-ZDUSSCGKSA-N 315.421 2.143 10 10 DECE CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@]2(CCOC2)O1 794693705 KIHOYQAFPZXMMG-CRAIPNDOSA-N 321.417 2.479 10 10 DECE CCn1c(O)nc2ccc(C(=O)NCc3ccccc3O)cc21 1137471686 WJSDTZOXLCINPX-UHFFFAOYSA-N 311.341 2.397 10 10 DECE Cn1ncc(Br)c1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 692886765 WMPZLPPYBYYACL-ZETCQYMHSA-N 313.159 2.098 10 10 DECE Cc1ccc(C(=O)N2CC(Nc3ccc(F)cc3)C2)c(O)c1O 1170239734 KQLXABLXTYMZGJ-UHFFFAOYSA-N 316.332 2.482 10 10 DECE CC(=O)C(=O)COC(=O)Cc1cccc(C)c1Br 1329359781 AYCKIHGKTBRDTJ-UHFFFAOYSA-N 313.147 2.001 10 10 DECE Cc1nn(C)cc1CCC(=O)NCc1ccc2cccnc2c1O 1335297640 UOJFPMLADAMABX-UHFFFAOYSA-N 324.384 2.231 10 10 DECE COC(C)(C)[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 1335167021 NDKSIYIVDJBZFN-CQSZACIVSA-N 323.456 2.481 10 10 DECE COc1ccc2c(c1)CCN2Cc1ccc(S(C)(=O)=O)o1 1261366033 GEUVGIPWTZKYDQ-UHFFFAOYSA-N 307.371 2.254 10 10 DECE CC1(C(=O)NCc2cccc(O)c2O)CCC2(CC1)OCCO2 1528780210 IKCIBCMKQYVAQI-UHFFFAOYSA-N 321.373 2.037 10 10 DECE Cc1nc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)n[nH]1 1631616447 VFBVGTOWVFNRCQ-UHFFFAOYSA-N 324.340 2.373 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(C2CC2)nc1O 1635850363 LRAJHXOWKOPJHJ-UHFFFAOYSA-N 300.314 2.006 10 10 DECE C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1639177559 JFAGSJAZKHYILY-QGZVFWFLSA-N 307.390 2.088 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccc(C2CC2)nc1O 1635366553 AUPVSTMOZWUKGF-UHFFFAOYSA-N 302.305 2.439 10 10 DECE COc1cccn2ncc(C(=O)N3Cc4cccc(O)c4C3)c12 1632709137 LZAXBJCLXQKBIZ-UHFFFAOYSA-N 309.325 2.205 10 10 DECE CC(C)n1[nH]cnc1=NC(=O)c1cc2cc(O)c(O)cc2s1 1641641657 PGDAWNAMMYCFOT-UHFFFAOYSA-N 318.358 2.159 10 10 DECE O=C(Nc1cc(C(F)(F)F)[nH]n1)c1c(F)ccc(O)c1O 1650860099 XYYWKJZAFXCQQK-UHFFFAOYSA-N 305.187 2.231 10 10 DECE CCCc1[nH]nc(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1652296014 ZPMURZFFMHOBPK-UHFFFAOYSA-N 322.296 2.045 10 10 DECE CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1587215350 SLHFWBRXKLRIIY-HNNXBMFYSA-N 314.385 2.059 10 10 DECE COc1ccc(Br)c(CNC[C@H](O)C2CC2)c1O 1964553304 OAMCCIMMLCZJHD-NSHDSACASA-N 316.195 2.024 10 10 DECE CN(C)c1ccc(/C=C\C(=O)NC(=O)c2ccccc2O)cc1 5931581 OUOXWGOIQRXHGN-XFXZXTDPSA-N 310.353 2.428 10 10 DECE CCC[C@@H](C(=O)NCCCSc1nccs1)N(C)C 162123989 YBSJMAMIGDNMML-NSHDSACASA-N 301.481 2.472 10 10 DECE CCCNCc1ccc(N2C[C@@H](CO)OC[C@@H]2C)c(Cl)c1 167319581 VZGAMAANEBAITO-JSGCOSHPSA-N 312.841 2.426 10 10 DECE CCN(CC)CCCNC(=O)CCNCc1cc(C)ccc1O 1857862090 ZLQZQQXGUWVAGJ-UHFFFAOYSA-N 321.465 2.028 10 10 DECE CN1CCN(c2ccc(OCc3ccccc3)cc2)[C@@H](CN)C1 1899880333 WYKRGEIDGIFSGY-SFHVURJKSA-N 311.429 2.345 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1COCCN1CCCCN=[N+]=[N-] 1962287560 KGVLIARCWFQDDA-LBPRGKRZSA-N 313.402 2.302 10 10 DECE CSCCN(CC(=O)NCCN=[N+]=[N-])C(=O)OC(C)(C)C 1885557841 VCWABWVUVRXXKK-UHFFFAOYSA-N 317.415 2.013 10 10 DECE COc1cccc(O)c1CN[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 1973246221 FSGIVWILGRCMDX-YPMHNXCESA-N 322.405 2.404 10 10 DECE CC[C@@H](O)CN(C)c1ccc(CNC)cc1Br 1999394967 FQPQLOWRHLSDNM-LLVKDONJSA-N 301.228 2.376 10 10 DECE CC[C@@H]1C[C@@H](CC(=O)NCc2c(O)cc(O)cc2O)CCO1 2062726800 GQCLFNMCRKEACM-CMPLNLGQSA-N 309.362 2.015 10 10 DECE O=C(C[C@H](O)C1CC1)Nc1c(-c2ccccn2)nc2ccccn12 2064091125 GINXYEOYNAAEOK-AWEZNQCLSA-N 322.368 2.496 10 10 DECE COc1cc(Cl)cc(CN[C@@H](CO)c2cscn2)c1O 2175641441 QCEPGKXAUOCLTH-JTQLQIEISA-N 314.794 2.334 10 10 DECE Cc1cc(O)c([C@H](C)n2nc(C3CC3)c(C(N)=O)c2N)cc1C 2079972497 VSLYPLRYKACFNS-JTQLQIEISA-N 314.389 2.373 10 10 DECE C[C@@H](O)c1ccc(N2CCn3ncnc3C2)c(Br)c1 2114039172 XNVSOAPZXXBIAW-SECBINFHSA-N 323.194 2.114 10 10 DECE CC(C)S(=O)(=O)CCN(C)c1ccc(CO)c(Cl)c1 2114071539 DFAVDSCSGXUNHG-UHFFFAOYSA-N 305.827 2.092 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1CC[C@H]2CS(=O)(=O)C[C@H]21 2203337277 FVQHERJWUZQAIM-GBIKHYSHSA-N 315.822 2.226 10 10 DECE COc1ccc(Br)c(CN[C@H]2C[C@@H]2OC)c1O 2214865786 CAZPHTRBXVAILN-ONGXEEELSA-N 302.168 2.040 10 10 DECE CNCc1ccc(N2CC=C[C@H]2CN(C)C)cc1Br 2230509001 QFDMZHUOKPHJDY-AWEZNQCLSA-N 324.266 2.475 10 10 DECE CC[C@@](C)(CN)NCc1cc(Br)c(O)cc1O 2248029285 XKUFYRNYFICMHI-LBPRGKRZSA-N 303.200 2.077 10 10 DECE CSc1ncc(CNCC[C@H]2CNC(C)(C)CO2)s1 2269320796 YHIYLYZMFJDXIM-JTQLQIEISA-N 301.481 2.112 10 10 DECE COc1ccc(N=NC(=O)N[C@H](CCCCN)C(=O)O)cc1 2296518889 YDOMJMHRVWBTBC-GFCCVEGCSA-N 308.338 2.071 10 10 DECE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1c(O)cccc1Br 2309706214 WCKFNTBDNLQZHT-OUJBWJOFSA-N 311.223 2.466 10 10 DECE CN(C)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1F 101662944 XSUUDAQMELWIEN-UHFFFAOYSA-N 302.349 2.456 10 10 DECE C[C@@H]1[C@H]2CNC[C@H]2CN1Cc1cc(Br)ccc1O 300437793 OTPXHJFZSSEIFS-SUZMYJTESA-N 311.223 2.194 10 10 DECE CC[C@@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 305144484 NEWJGBWRIXWNOB-LBPRGKRZSA-N 301.346 2.141 10 10 DECE N[C@@H](Cc1ccc(O)c(O)c1)c1nc(-c2cccs2)no1 40225956 PIBFQSXLAGYTKG-VIFPVBQESA-N 303.343 2.452 10 10 DECE C[C@H](Nc1cccc(S(N)(=O)=O)c1)c1cc(F)ccc1O 94616667 PJKTWEVYWNKDAX-VIFPVBQESA-N 310.350 2.352 10 10 DECE COc1cc(N2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC 372259939 DWGNBYJLFKAICM-OAHLLOKOSA-N 308.334 2.227 10 10 DECE O=S(=O)(C[C@@H]1C[C@H]1C(F)(F)F)NCc1ccccc1O 2164632269 AZBRRSOXWIXWFA-VHSXEESVSA-N 309.309 2.010 10 10 DECE CN(C)c1ccc(/C=C/CNCCCCS(C)(=O)=O)cc1 818226370 POPNRLZURPMHCM-VOTSOKGWSA-N 310.463 2.180 10 10 DECE CC(C)CO[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588407494 YVEASVBBHNKFMN-KXQLTZBTSA-N 305.374 2.385 10 10 DECE CC[C@@H](CO)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835029265 RWODLWNBRZDIOP-XFHJGTJQSA-N 317.477 2.154 10 10 DECE C[C@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 835054859 RTGCRKJJRAAQAU-WBXGCANISA-N 317.477 2.153 10 10 DECE C[C@H](NS(=O)(=O)CC1(F)CC1)c1ccc(N(C)C)cc1 914392092 SGJYURNMEUYOAJ-NSHDSACASA-N 300.399 2.235 10 10 DECE Oc1c(Cl)cccc1CNC1CCC(N2CCNCC2)CC1 841087761 SPKUCTVIVCNFOY-UHFFFAOYSA-N 323.868 2.352 10 10 DECE CCCN1CCC(NC(=O)NCc2c(O)cccc2F)CC1 920506894 MOUFQQOLGWLEGV-UHFFFAOYSA-N 309.385 2.205 10 10 DECE CC(C)[C@H](NC(=O)NCc1c(O)cccc1F)c1cnn(C)c1 927423040 ACBZQUUKOFAAAS-HNNXBMFYSA-N 320.368 2.461 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)C23CCC3)c1 850546263 KZPHWLXYAOHRQI-VQISRLSMSA-N 305.374 2.133 10 10 DECE CCCN1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862028364 WQYWRCZCKBYREO-OAHLLOKOSA-N 313.401 2.431 10 10 DECE CC(C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 761906288 MKRFHTJGHCCTLX-SNVBAGLBSA-N 305.334 2.408 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCC[C@@H]2CCCOC2)c1O 862433703 OERHYSRFQPFEBU-NSHDSACASA-N 310.350 2.215 10 10 DECE CN(C)c1ccc(/C=C\CNCc2cc(C(=O)O)no2)cc1 1119549349 IDHPYMUDWZBUNJ-ARJAWSKDSA-N 301.346 2.242 10 10 DECE O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2cccnc2C1 1124071104 YDTANGJQOFKOJM-GFCCVEGCSA-N 302.761 2.472 10 10 DECE COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(O)cs1 1136332931 IPKHATVFHGFIMD-UHFFFAOYSA-N 320.370 2.416 10 10 DECE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]1(C)CO 898985483 WRYPINOFVWUTJE-FVMDXXJSSA-N 321.398 2.403 10 10 DECE Cc1csc(C)c1S(=O)(=O)NCCc1ccc(N)cc1 725116087 APRJMIYBYHQRNW-UHFFFAOYSA-N 310.444 2.468 10 10 DECE Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1c(O)cccc1F 1340179678 STYMDGWUUISODE-VIFPVBQESA-N 305.353 2.366 10 10 DECE CC(C)[C@H](C(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C 1347232725 AZKFFQBSKKBERI-CYBMUJFWSA-N 323.389 2.328 10 10 DECE O=S1(=NCCNCc2c(O)cccc2Cl)CCCC1 1913871553 KZLKBVZGWCQTOM-UHFFFAOYSA-N 302.827 2.397 10 10 DECE CN(C)c1ccc([C@@H](CN)n2cc(Br)cn2)cc1 217266358 GDGRVSUSGUXODI-CYBMUJFWSA-N 309.211 2.260 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c[nH]nc2c1 1623387074 PGPXBHSTCOOACK-UHFFFAOYSA-N 309.373 2.296 10 10 DECE CC(C)(CNCc1ccc(O)cc1O)NC(=O)OC(C)(C)C 227602147 BKWBJIRBBGHVEB-UHFFFAOYSA-N 310.394 2.491 10 10 DECE C[C@@H](NC(=O)c1ccn(-c2ccncc2)n1)c1ccccc1O 1635799074 NYWSOJSEVFQFBT-GFCCVEGCSA-N 308.341 2.464 10 10 DECE CCOCCONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1634406373 QNKURPHFMMWOAW-UHFFFAOYSA-N 321.421 2.396 10 10 DECE COCCNCc1ccc(N2CCC[C@](C)(O)C2)c(Cl)c1 163369805 YKRYXUPPJIIUPL-INIZCTEOSA-N 312.841 2.427 10 10 DECE CCCCN(CC(N)=O)c1ccc(CN)cc1C(F)(F)F 163703046 AHWCHKXIIYUKBU-UHFFFAOYSA-N 303.328 2.256 10 10 DECE CC[S@@](=O)CCNCc1cc(Br)ccc1O 164067483 PVZIFQPCEQDUHJ-INIZCTEOSA-N 306.225 2.013 10 10 DECE CN(C)C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 153011084 KJAQZFUAWNJRGX-OAHLLOKOSA-N 322.449 2.158 10 10 DECE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN3)cccc21 1866099505 OYYUZVGMALMBTJ-HNNXBMFYSA-N 320.348 2.153 10 10 DECE C[C@@H]1CN(Cc2cc(N)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C 1977887861 IYPKCIMUPPAHJL-RISCZKNCSA-N 321.421 2.319 10 10 DECE C[C@@H](N)c1cc(F)c(N(CC(N)=O)Cc2ccccc2)c(F)c1 1990441776 CKJJHXBDPZQZKC-LLVKDONJSA-N 319.355 2.476 10 10 DECE NCc1cc(F)c(N2CCC3(CC2)OCCO3)cc1Cl 2008205715 JSSOHYCNPVAJHU-UHFFFAOYSA-N 300.761 2.281 10 10 DECE CN1C[C@@H]2CN(Cc3cccc(Br)c3O)C[C@H]2C1 706234689 BQLFYTXHXDAOQA-VXGBXAGGSA-N 311.223 2.148 10 10 DECE CNCc1ccc(N2C[C@@H](CO)[C@@H](C)C2)cc1Br 708160191 CPHVRDNDOGNDCG-JQWIXIFHSA-N 313.239 2.233 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@@H]2CNC[C@@H]21 691384346 ATUNPQSUIMPFRV-MFKMUULPSA-N 311.223 2.339 10 10 DECE O=C(NCCc1ccc(Cl)s1)c1cc(O)c(O)c(O)c1 2188867716 FRLQQTKHXYSEJJ-UHFFFAOYSA-N 313.762 2.491 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@@]3(O)C2)cc1Br 2051365502 GKPKJHKHGMRXIX-GPCCPHFNSA-N 312.207 2.464 10 10 DECE NC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1O 2053974918 YKTHVZPRVOBMBH-RAIGVLPGSA-N 311.223 2.466 10 10 DECE CO[C@@H]1C[C@@H](CF)N(c2ccc(CN)cc2Br)C1 2069980516 JWOZALAJOGNTBU-WDEREUQCSA-N 317.202 2.471 10 10 DECE Nc1ccc(NC(=O)Nc2cnc(Br)nc2)cc1 2071557793 CQFVAWYFSBEEBT-UHFFFAOYSA-N 308.139 2.465 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2cnnn2C)cc1Br 2100244744 YPHRTAWXDOTZLQ-SECBINFHSA-N 324.226 2.234 10 10 DECE CN[C@H]1CN(Cc2ccc(Br)cc2O)CC12CC2 2085078052 JOBKKKZKVQBGDR-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2203362896 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92510474 OBMHHLXMBVTFLZ-AWEZNQCLSA-N 306.406 2.234 10 10 DECE Cn1cc(CC(=O)Cc2ccc(N)cc2)c(Br)n1 713861039 IZFSHPVARFVREV-UHFFFAOYSA-N 308.179 2.119 10 10 DECE COC(=O)CCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O 728950751 AZGMAEUBJCZYDQ-LLVKDONJSA-N 324.377 2.104 10 10 DECE C[C@@H](NC(=O)c1cc2c(nc1O)CCOC2)c1ccccc1O 913763945 WEUMFTLQMVCSCW-SNVBAGLBSA-N 314.341 2.057 10 10 DECE CC[C@H](N[C@H](C)c1cc(Br)ccc1O)C(=O)NC 834913981 RTIGMVQGDOUDPU-KCJUWKMLSA-N 315.211 2.330 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)NCCOC2CCOCC2)c1 927080138 PXVVLWGAHKPPNB-GFCCVEGCSA-N 323.389 2.025 10 10 DECE Oc1ccc(I)cc1[C@H]1NCC[C@H]1F 1952824289 ANXSMKZYSQECRD-PSASIEDQSA-N 307.106 2.369 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cc(O)cs3)C2)cc1 855227442 WQHOWEXNJNTMST-NSHDSACASA-N 318.398 2.471 10 10 DECE C[C@H](NC[C@@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 927136697 RVSVVVBEWSMSDG-KPZWWZAWSA-N 315.417 2.389 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)C2CCC2)c1O 850349455 FOOFKBPXDIBUMQ-LLVKDONJSA-N 300.742 2.204 10 10 DECE C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)[C@@H]1O 854003702 KGRUFBXXLJSMEL-OEUWWYETSA-N 319.449 2.472 10 10 DECE CC(C)(C)N1CC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 855161622 AKYHAVPMBZYBFI-SCXUMTSISA-N 304.390 2.100 10 10 DECE CCN(CC)c1ccc(CN2CCN(C3CC3)C(=O)C2)cc1F 769426214 NNQIUVDFFJXWOW-UHFFFAOYSA-N 319.424 2.479 10 10 DECE Oc1ccc(-c2ccccc2)cc1CN1CCn2c(O)nnc2C1 776520474 MFXSTWHYLPBEPS-UHFFFAOYSA-N 322.368 2.372 10 10 DECE CCCC(=O)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 871201163 QXIXGBRNWQMDTB-AWEZNQCLSA-N 316.401 2.273 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cc(Br)n(C)n1 1445647355 RFUVOTBJSSCFSZ-UHFFFAOYSA-N 324.178 2.160 10 10 DECE COC(=O)CN(CCC[C@@H](C)O)Cc1cc(Cl)ccc1O 789347494 FURVPBIBJGYHPK-LLVKDONJSA-N 315.797 2.182 10 10 DECE CSc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C 790536437 CKSGLLZZWSTXGW-UHFFFAOYSA-N 322.409 2.277 10 10 DECE CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1ccccc1 1177249870 FXCVRSMPSQGKID-ZFWWWQNUSA-N 301.342 2.340 10 10 DECE O=C(CNc1cccc(Cl)c1)NCc1cccc(O)c1O 1176564659 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N[C@H](Cc1ccc(O)c(O)c1)c1nc([C@@H]2CCCS2)no1 157570313 QUWOJPAVLCGAAA-SKDRFNHKSA-N 307.375 2.291 10 10 DECE CCOC(=O)CCN1C[C@H]2CC[C@H]1C[C@@H]2Oc1ccc(N)cc1 259518971 KTIIPRSXNLLZFZ-KMFMINBZSA-N 318.417 2.454 10 10 DECE Oc1c(Br)cccc1CNCc1nncs1 1938087803 MDWZOXLIESJGPN-UHFFFAOYSA-N 300.181 2.296 10 10 DECE CC[C@@H](O)CNCc1c(Br)ccc(OC)c1O 1964020152 KCBAZJKICAFHJN-MRVPVSSYSA-N 304.184 2.024 10 10 DECE CCC[C@H](O)CNCc1c(Br)ccc(OC)c1O 1964037718 AUWKSQIETPMWMF-VIFPVBQESA-N 318.211 2.414 10 10 DECE Nc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)s2)c1 36742778 LBGUGTDRTYQOBF-UHFFFAOYSA-N 318.807 2.168 10 10 DECE C[P@]1(=O)C[C@H](O)[C@@H](Nc2c(N)cccc2Br)C1 2008560460 LCCJLBCVMDVUDB-FJHFEUQMSA-N 319.139 2.179 10 10 DECE [N-]=[N+]=NC1CCN(C(=O)c2nnc(Br)s2)CC1 2011525948 FOQGAOAPGUWVGV-UHFFFAOYSA-N 317.172 2.216 10 10 DECE C[C@@H](NCC(=O)NCc1ccccc1)c1ccc(O)cc1O 315144565 XGEFOXGQOUGJFI-GFCCVEGCSA-N 300.358 2.065 10 10 DECE CCCCN=c1[nH]c(CC(=O)Nc2ccc(O)c(O)c2)cs1 2063723171 UYTIPACBBFUXJU-UHFFFAOYSA-N 321.402 2.369 10 10 DECE CCc1cc(C(=O)N(C)C)n([C@@H](C)c2c(O)cccc2OC)n1 2070077580 VAXMDDHVMLVWKC-NSHDSACASA-N 317.389 2.471 10 10 DECE CCOC(=O)c1cn([C@@H](C)c2c(O)cccc2OC)nc1O 2070631457 TUHKUFDCCCKTDO-VIFPVBQESA-N 306.318 2.089 10 10 DECE C[C@@H](O)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Cl)c1 2170322191 AUKGVAPAIJLGBZ-GMTAPVOTSA-N 317.838 2.405 10 10 DECE Nc1ccc(NC(=O)N2CC3(CCC4(CC3)OCCO4)C2)cc1 2191503692 WXBFKJSYZFIMQY-UHFFFAOYSA-N 317.389 2.420 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)NCCCCN=[N+]=[N-] 2243540486 CXQLOZGAGNXIOB-HFAKWTLXSA-N 323.397 2.496 10 10 DECE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2O)SC1=S 2294874449 DITCXRFKITWEGN-SSDOTTSWSA-N 309.368 2.067 10 10 DECE CC(C)CN1CCC(NC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307987137 GGMGOUQICTUULU-UHFFFAOYSA-N 318.417 2.348 10 10 DECE Cn1nc(Br)cc1N1CCc2cc(O)c(O)cc2C1 2341215109 UFMGIAAXFNLAFR-UHFFFAOYSA-N 324.178 2.157 10 10 DECE O=C(O)[C@@]1(Sc2nccs2)CCN[C@H](C(F)(F)F)C1 2351837447 MBXXWKHVKRDTNE-IMTBSYHQSA-N 312.338 2.373 10 10 DECE COc1nc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)n[nH]1 179363169 DMCVCSMHTWCJIO-UHFFFAOYSA-N 311.345 2.473 10 10 DECE COc1ccc2nc(NN(C)S(=O)(=O)C3CC3)sc2c1 2365321972 CXJPBVDXGXRNCL-UHFFFAOYSA-N 313.404 2.056 10 10 DECE O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)N2CCOC[C@@H]12 91516640 CKOQGDKGAYYYJT-DZGCQCFKSA-N 318.760 2.028 10 10 DECE COc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1O 93691453 CNTZYHHAMGOGJT-OAHLLOKOSA-N 300.358 2.449 10 10 DECE CC[C@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 292045340 VPZMIFRODZGPCE-HNNXBMFYSA-N 303.406 2.217 10 10 DECE CCOCc1nc([C@@H](C)NCc2cccc(OC)c2O)no1 290972332 SOLFVJBPLJAFEX-SNVBAGLBSA-N 307.350 2.171 10 10 DECE CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 291558299 BYGYWEIHWVSVRW-CQSZACIVSA-N 321.396 2.356 10 10 DECE O=C(Cc1cccnc1)NCc1cc(Br)ccc1O 804734557 QVWBZTBXRAAPBE-UHFFFAOYSA-N 321.174 2.409 10 10 DECE CC(C)(C)OC(=O)[C@@H]1C/C(=C\O)C(=O)N1C(=O)OC(C)(C)C 394477278 IWRWEMNLGHMKTJ-DDXVTDLHSA-N 313.350 2.306 10 10 DECE COc1ccc(CNC(=O)Nc2cn(C)nc2C2CC2)c(O)c1 812997294 PMTYOEWRMCVQOL-UHFFFAOYSA-N 316.361 2.333 10 10 DECE CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(N2CCOCC2)c(F)c1 824637491 XLVVVLCTUOMIBZ-NVXWUHKLSA-N 322.424 2.255 10 10 DECE CN(CCN1CCCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 824253133 LJULHJVAQHEWTL-UHFFFAOYSA-N 317.393 2.407 10 10 DECE O=C(c1ccc(O)c(O)c1)N1CCS[C@@H](C(F)(F)F)C1 721447645 KGVGDOLVDOEKNC-SNVBAGLBSA-N 307.293 2.218 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1ccc(O)c(O)c1O 1952234819 AEZRDKYPQODWLJ-GXSJLCMTSA-N 324.377 2.203 10 10 DECE O=C(c1cc(O)cs1)N1CCN(Cc2ccccc2)CC1 731863801 GFBVSVXBYUSDRC-UHFFFAOYSA-N 302.399 2.412 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NCCCN=[N+]=[N-])[C@@H]2C1 1895875278 HUCBICJTTATOFP-QJPTWQEYSA-N 323.397 2.306 10 10 DECE O=C(O)[C@H]1CCN[C@@H](c2cc(Br)cc(F)c2O)C1 1952536400 HOLWNVXDNQBXRE-QUBYGPBYSA-N 318.142 2.419 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C3CC3)N2)c1 846676708 IQDVQZWFJIQPNZ-VQISRLSMSA-N 304.390 2.109 10 10 DECE COc1ccc(O)c([C@@H](C)N[C@H]2CNCC3(CCOCC3)C2)c1 925791635 MKQHDWRZSRZDRE-ZIAGYGMSSA-N 320.433 2.210 10 10 DECE C[C@@H](NC(=O)NCc1cncc(O)c1)c1ccc(N(C)C)cc1 922055224 NRIZDPXVJJSMBM-GFCCVEGCSA-N 314.389 2.414 10 10 DECE COC[C@H](CCNC1CCN(c2ccc(OC)cc2)CC1)OC 850345559 DWJJQJOBQSILOQ-SFHVURJKSA-N 322.449 2.305 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)n3)C2)cc1 855233372 XQSFKMVAXWAREN-CQSZACIVSA-N 311.385 2.407 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3csnc3C)C2)cc1 855225433 IXSRPJGUVUCOHG-GFCCVEGCSA-N 317.414 2.469 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CC2)C1 769327303 WBFSUACGYVXWIM-IBGZPJMESA-N 315.461 2.192 10 10 DECE CN(C)c1ccc(CN2CCNC(=O)CC23CCC3)cc1F 895928807 PEFLALGURBGADG-UHFFFAOYSA-N 305.397 2.136 10 10 DECE CCc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1 797629249 AKHMXWOPOZRLAF-VIFPVBQESA-N 305.334 2.401 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 192680623 PKZKMXXNDDRLIF-LLVKDONJSA-N 310.394 2.404 10 10 DECE CCOC(=O)[C@@H]1C[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 1142416701 FIRKMCCTRPPHKK-HZPDHXFCSA-N 318.417 2.300 10 10 DECE c1cc(CNCc2ccc(N3CCOCC3)cc2)n2ccnc2c1 1308225463 SOCHVRFSPWEHGV-UHFFFAOYSA-N 322.412 2.461 10 10 DECE CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2c(O)cccc2F)C1(C)C 1312370741 WYDSFXSNBXWAPZ-BIGNPOOSSA-N 310.369 2.390 10 10 DECE Cc1cnc(C2(NC(=O)c3ccc(C)c(O)c3O)CCC2)[nH]1 1175634493 ZFFOKOSGPVKNTE-UHFFFAOYSA-N 301.346 2.247 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)CCC(F)(F)F)CC1 2128949548 VGFMRIRQVOVLEE-MRVPVSSYSA-N 300.306 2.433 10 10 DECE COC(=O)c1cc(NC(=O)c2cc(O)cs2)c(O)c(OC)c1 1603058935 KMPHCKGMHAOKNF-UHFFFAOYSA-N 323.326 2.207 10 10 DECE O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1cccc(F)c1 1470147784 NXQPTBXKTZBGGM-AWEZNQCLSA-N 317.316 2.451 10 10 DECE Cc1cnc2c(C(=O)NCc3ccc(N(C)C)cc3)cnn2c1 1628709441 ZICFIJYQZFLEOB-UHFFFAOYSA-N 309.373 2.034 10 10 DECE C[C@H](C(=O)NCc1ccc(O)cc1O)c1cccc([N+](=O)[O-])c1 1639444213 BQGZQQMORHWBCX-JTQLQIEISA-N 316.313 2.426 10 10 DECE C[C@H](NOCCNC(=O)OC(C)(C)C)c1c(O)cccc1O 1928528747 GZDDIACPSIFQRR-JTQLQIEISA-N 312.366 2.205 10 10 DECE CC[C@@H]1SC(=S)N(CC(=O)Nc2ccccc2F)C1=O 11635580 SGXGCUBPKCGUDE-JTQLQIEISA-N 312.391 2.403 10 10 DECE Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)cc(C)c1O 1970356100 BDXZMLFLMJQHCY-UHFFFAOYSA-N 315.782 2.197 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2C(=O)O)C1 1978874663 XUGDMHFNKGGDJI-SNVBAGLBSA-N 321.377 2.388 10 10 DECE C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O 1985828522 RODWQUUONBPFCG-CORIIIEPSA-N 322.405 2.023 10 10 DECE N[C@H]1CN(Cc2ccc(Br)cc2O)CC12CCC2 2028637086 NSITYDMUCOBSEN-ZDUSSCGKSA-N 311.223 2.468 10 10 DECE O=C(O)[C@H]1C[C@@H](F)CN1Cc1cc(Br)ccc1O 2034478817 GBYIWKDHLFNWKC-NXEZZACHSA-N 318.142 2.152 10 10 DECE Oc1ccc(Br)cc1CNC[C@H]1COCCCO1 2036451791 DYGXSOKGMYGDGF-LBPRGKRZSA-N 316.195 2.050 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(F)c1 2160765923 WCVJMEQHQJPEHF-GHMZBOCLSA-N 302.415 2.105 10 10 DECE C[C@@H]1CN(c2ccc(CO)c(Br)c2)C[C@]1(C)CO 703716714 IYHASEMSLHORNW-QMTHXVAHSA-N 314.223 2.396 10 10 DECE CNCc1ccc(N(C)CC[S@@](C)=O)c(C(F)(F)F)c1 399061078 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CC[C@@H](NCCNC(C)=O)c1cc(Br)ccc1O 20148905 HKHNDITXYIILOZ-GFCCVEGCSA-N 315.211 2.332 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3)cc1 187671818 QNMCVMRRVMDWAC-UHFFFAOYSA-N 309.369 2.177 10 10 DECE CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 188176274 VNWMEKVSXPFMQP-KBPBESRZSA-N 303.406 2.285 10 10 DECE CCCNC(=O)[C@H](C)NCc1cc(Br)ccc1O 227434964 XOXSHVMCVBFXLU-VIFPVBQESA-N 315.211 2.159 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@@H]3COCC[C@H]32)c1 247259804 RODRGSYPHDEASJ-TZMCWYRMSA-N 310.375 2.007 10 10 DECE CN(c1ccc(CNC(=O)[C@H]2CCN2)cc1)C1CCCCC1 827820928 GTXCOUSDBNQCAA-QGZVFWFLSA-N 301.434 2.434 10 10 DECE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 835052492 DOFOWQJFWRHJIF-GJBLVYBDSA-N 322.474 2.321 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 914254922 VGMLBIWLRMKQHO-PBHICJAKSA-N 318.465 2.425 10 10 DECE Cc1cc(N(C)C)ccc1CNC[C@H]1CN(C2CC2)C(=O)O1 848929847 KFQASHLRPDIRHX-INIZCTEOSA-N 303.406 2.134 10 10 DECE C[C@H](NCC[C@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 846191252 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303.366 2.367 10 10 DECE CCOC(=O)[C@H]1CCCN(c2ccc3c(c2)CCN3C(C)=O)C1 71702381 JHBOETCWBCUHFQ-HNNXBMFYSA-N 316.401 2.375 10 10 DECE COc1cc(C)cc(CNCC(C)(C)C(=O)N2CCCC2)c1O 895404415 FUSSSAFRENYOTQ-UHFFFAOYSA-N 320.433 2.447 10 10 DECE C[C@H](NCc1ccccc1O)[C@H](O)c1ccc2c(c1)OCO2 785582416 ZTBRZQXFGQLTCT-GTNSWQLSSA-N 301.342 2.333 10 10 DECE Cn1c(=O)ccc2ccc(NC(=O)c3cccc(O)c3O)cc21 787623443 POCNKPSUDREHCK-UHFFFAOYSA-N 310.309 2.202 10 10 DECE COC[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 896512316 WMAPNTLPUOVJHK-SECBINFHSA-N 307.371 2.421 10 10 DECE COC(=O)c1c(CN(C)CC[C@@H](C)O)c2cc(F)ccc2n1C 894034640 TYGPFIIBMNXSBA-LLVKDONJSA-N 322.380 2.307 10 10 DECE CN(c1ccc(CO)cc1Br)[C@H]1CCC[C@H]1O 708581642 XWZXVSRQGOTQTH-QWHCGFSZSA-N 300.196 2.291 10 10 DECE COc1ccc(CNC(=O)Cn2ncc3ccccc32)c(O)c1 794382577 CWOKWIFBCWRSLT-UHFFFAOYSA-N 311.341 2.067 10 10 DECE CN(CC1CCSCC1)S(=O)(=O)Cc1ccc(N)cc1 718390683 JFYZFTRINQCNQT-UHFFFAOYSA-N 314.476 2.174 10 10 DECE Cc1cccc([C@H](O)CNC(=O)c2c(F)ccc(O)c2O)c1 1160980809 PHHSUBJGKOKROK-CYBMUJFWSA-N 305.305 2.009 10 10 DECE CCNC[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1324832118 GSAYSAFQJIVMBE-MRXNPFEDSA-N 317.393 2.311 10 10 DECE c1cn(C[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)nn1 1327803909 MJZVDKUOCDVTJO-QGZVFWFLSA-N 311.433 2.400 10 10 DECE C/C(=C\C(=O)N1CCCn2nc(C)c(Cl)c21)c1cnccn1 1337518771 HKVMZRRPSGHKBY-CSKARUKUSA-N 317.780 2.475 10 10 DECE Cc1ccc(O)c([C@@H](C)NCc2nc(O)c3c(n2)CCOC3)c1 1348560007 IXQZHYKLGKYPBL-LLVKDONJSA-N 315.373 2.120 10 10 DECE CCNc1cccnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1519861962 IGXWRLZSBKSSHC-NSHDSACASA-N 315.373 2.286 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC1([C@H]2CCCO2)CCC1 1520953516 JCIHTWIXJOJFSS-ZQMJAJRESA-N 303.358 2.329 10 10 DECE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(N)c1[N+](=O)[O-] 1472227265 KKEIHXDEOLOFRI-UHFFFAOYSA-N 317.301 2.078 10 10 DECE C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cccc(O)c1O 1471643507 IDDCCAFCSYHJPI-VIFPVBQESA-N 323.295 2.460 10 10 DECE O=C(c1cccc(O)c1O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 1628485588 OXAXEHMTZDORJT-RYUDHWBXSA-N 323.414 2.225 10 10 DECE O=C(NCc1c(O)cccc1F)[C@H]1OCCc2ccccc21 1638864057 SJFIDSVXGOLVJA-INIZCTEOSA-N 301.317 2.462 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CO)CC2)cc1 1641679965 UYLIKEIWVLULCG-NSHDSACASA-N 304.350 2.084 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1CCCS(=O)(=O)CC1 2138554278 WGSQYSPFYAGIEF-SNVBAGLBSA-N 303.811 2.227 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](F)[C@H](O)C2)c(Br)c1 1944244624 VMIYUDYXACKUAS-INNHCVQGSA-N 304.159 2.021 10 10 DECE Cc1[nH]c(=NCCc2ccc(N)cc2)c(Br)cc1N 1876396314 SYTGYHHREVLWOM-UHFFFAOYSA-N 321.222 2.393 10 10 DECE COc1ccc(Br)c(CN[C@H](C)CCO)c1O 1964046153 OVUNABXYEZEHEA-MRVPVSSYSA-N 304.184 2.024 10 10 DECE O=C(O)[C@@H]1[C@H]2C[C@H]2CN1Cc1cc(Br)ccc1O 2035678248 QPBWARSVWYNDHR-JWYUURKGSA-N 312.163 2.060 10 10 DECE CCNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2179911722 SPHRUGDCMPOIGQ-LBPRGKRZSA-N 316.854 2.073 10 10 DECE CN(C)Cc1cnn(Cc2cc(Br)ccc2O)c1 2069895904 PYVLLNRYIWRIGJ-UHFFFAOYSA-N 310.195 2.461 10 10 DECE Cc1cc(C(=O)O)n(Cc2cc(Br)ccc2O)n1 2069968118 OWASZYIALKMQKD-UHFFFAOYSA-N 311.135 2.406 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2057004161 AAPBXLCTHWIOFG-IGJMFERPSA-N 317.202 2.235 10 10 DECE COc1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)C[C@H](C)O2 491911545 DNEPIVMRIJGJRN-RYBZSIHZSA-N 311.341 2.313 10 10 DECE CN1CCC[C@H]2CN(C(=O)C=Cc3ccc(O)c(O)c3)CC[C@H]21 2308001965 HVVGTOQQSWQLLK-LSDHHAIUSA-N 316.401 2.054 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)cc1Br 2325329123 QWDTXDMWFJPWIV-HERUPUMHSA-N 311.223 2.257 10 10 DECE CC[C@H](CN)C(=O)NCc1ccc(C)c(Br)c1O 2327797499 XLYYVROWEBSRHZ-SECBINFHSA-N 315.211 2.064 10 10 DECE NC(=O)c1cccc(N)c1N[C@@H]1CCCN(Cc2ccccc2)C1 303521831 FRGNSWFFTYTFRZ-OAHLLOKOSA-N 324.428 2.444 10 10 DECE COc1ccc(CN[C@@H](CO)Cc2ccc(C)cc2)c(O)c1 188974792 ILXNESUZNHIKFC-MRXNPFEDSA-N 301.386 2.402 10 10 DECE C[C@@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 188733867 NZQXUKZRVBLYME-QGZVFWFLSA-N 317.477 2.175 10 10 DECE CC[C@H]1CCCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490568 FRPXNUPBBLSEEB-AWEZNQCLSA-N 312.435 2.242 10 10 DECE Cc1cccc(CNCc2cccc(N3CCOCC3)n2)c1O 274891357 DPJYCFJGKAAXBC-UHFFFAOYSA-N 313.401 2.222 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCN(C)[C@H](C)C2)c1O 278299586 VPCKMIFEARCENU-YPMHNXCESA-N 323.393 2.224 10 10 DECE CCOc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@H]2O)c1 377400768 GYQZLTHDNFMGFX-CRAIPNDOSA-N 315.369 2.375 10 10 DECE COCCN(Cc1cnns1)c1ccc(OC)c(OC)c1 295010456 STLNMHSOAKEMJN-UHFFFAOYSA-N 309.391 2.208 10 10 DECE O=C(NCc1cc(Br)ccc1O)c1cccnc1 804734963 FXBSSHKPUIAHPO-UHFFFAOYSA-N 307.147 2.480 10 10 DECE CN(Cc1cc(Cl)ns1)c1ccc2c(c1)NC(=O)[C@@H]2N 2167208216 SGRAMQPMZRXILG-GFCCVEGCSA-N 308.794 2.385 10 10 DECE CC(=O)C1(C(=O)NCc2cc(Br)ccc2O)CC1 816653897 MDSJHKJZQKKBDE-UHFFFAOYSA-N 312.163 2.140 10 10 DECE C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(F)c2F)C1 830184868 QYQYVILSTMPAQF-MRVPVSSYSA-N 306.334 2.059 10 10 DECE COc1cc(Br)cc([C@H]2CC(=O)CCN2)c1O 1952283400 NTDOKGKHWVIMDO-SNVBAGLBSA-N 300.152 2.157 10 10 DECE CCNC(=O)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840909557 IQCVJWHBHHSFEH-UHFFFAOYSA-N 311.813 2.201 10 10 DECE CC1CCN(c2ccc(CNC(=O)NC/C=C\CN)cc2)CC1 841794127 UNMUYOSQCDOQCG-IHWYPQMZSA-N 316.449 2.237 10 10 DECE Cc1ccc(O)c([C@H](C)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 927042381 YILLTGCUFFSBMA-FUDCBSFHSA-N 309.431 2.459 10 10 DECE Cc1cc(CCNC(=O)N[C@H](C)c2ccccc2O)nn1C 926386723 AXDARSNDDMZKJZ-GFCCVEGCSA-N 302.378 2.037 10 10 DECE Cc1cc(Cl)cc(CN2CCS(=O)(=O)CC2(C)C)c1O 843410018 ZJZLCYIVNYXZIC-UHFFFAOYSA-N 317.838 2.363 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CC(N)=O)c1O 750045048 SHMIHHJJDAYXCP-ZDUSSCGKSA-N 324.808 2.478 10 10 DECE C[C@H](NCC[S@](=O)CC(F)(F)F)c1cc(F)ccc1O 850497939 XHDAJWYSQCNHRP-FHZGZLOMSA-N 313.316 2.493 10 10 DECE CC(C)(C)OC(=O)Nc1cccc([C@](C)(N)CC(=O)O)c1O 1952563752 DNUFHNMLQNQQOP-OAHLLOKOSA-N 310.350 2.388 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)c1ccccn1 857472151 HPCKBVWPVCDUFF-QGZVFWFLSA-N 312.369 2.016 10 10 DECE COCC1(C2CCC2)CN(C(=O)c2c(F)ccc(O)c2O)C1 857312984 KGBGKPINVRAAFB-UHFFFAOYSA-N 309.337 2.126 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1COc1ccc(N)cc1 1952925938 TZWBQAJSYCIVHX-KBPBESRZSA-N 308.378 2.330 10 10 DECE CCOc1ccc(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)c(O)c1 863650909 BPIMSJCJIPLTLD-NKKGCODLSA-N 302.418 2.221 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 935947752 FBHSYEUZTNEOQM-RYUDHWBXSA-N 310.390 2.499 10 10 DECE C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(Cl)cc1O 866571237 BGLOVRSIOYWNIK-SECBINFHSA-N 320.842 2.011 10 10 DECE C[C@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1O 862332182 GFIXLNKXONCKIR-CABZTGNLSA-N 300.196 2.357 10 10 DECE Nc1ccc(NC(=O)N2CCCCCCNC(=O)CC2)cc1 868163352 NYCCFJGXQPYSIM-UHFFFAOYSA-N 304.394 2.183 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1nc([C@@H]2C[C@H]2C)no1 865936129 GIKDKZRQXWYXEH-BXUZGUMPSA-N 314.389 2.497 10 10 DECE CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(F)c(F)c3O)[C@H]2C1 877535666 CXMMIHQHQZCAOX-YDHLFZDLSA-N 324.371 2.407 10 10 DECE CCn1nccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773089224 SVZOCUWEQBJRMR-LBPRGKRZSA-N 322.434 2.009 10 10 DECE C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 773367569 LMDTYMYOCXRGOL-BBRMVZONSA-N 304.438 2.207 10 10 DECE CCO[C@H](c1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCOC1 872172019 ZNRPBSLUXCRQMX-DOMZBBRYSA-N 303.362 2.357 10 10 DECE COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O 895404828 HMJRQRFSSDXOFP-HKZYLEAXSA-N 309.431 2.195 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CCSC[C@H]3C)c(Cl)cc21 92752380 ULWNCYJVHNEVCP-OQPBUACISA-N 311.838 2.494 10 10 DECE NCc1cc(F)c(N(CCO)CC(F)(F)F)cc1Cl 2120882183 UJPXFNNFOWSOEP-UHFFFAOYSA-N 300.683 2.299 10 10 DECE Cc1cc(CC(=O)NC2(C(=O)O)CC2)c(C)n1-c1ccccc1 1350625794 DYFJCAYQDARASQ-UHFFFAOYSA-N 312.369 2.370 10 10 DECE Cc1ccc(F)c(N)c1C(=O)NCCc1ccc(O)c(O)c1 1445937935 KNPYBAFCVPECGG-UHFFFAOYSA-N 304.321 2.100 10 10 DECE C[C@H](O)c1ccc(N(C)C2CC(O)C2)cc1Br 1914573203 HUGQKXKUVBHGJO-PUSIOWJLSA-N 300.196 2.462 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 1468908076 XQUPPSBFYPJBHP-LSDHHAIUSA-N 319.401 2.040 10 10 DECE O=C(NCc1c(O)cccc1O)C1=NO[C@H](c2ccccc2)C1 1472063023 CBPXUFKFKWBAIO-INIZCTEOSA-N 312.325 2.232 10 10 DECE O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cccc(O)c1O 1618185423 IOGFAUPCSKYJCS-UHFFFAOYSA-N 314.276 2.274 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1conc1C1CC1 1632681802 VOAAOHYKQWNNHL-VIFPVBQESA-N 302.330 2.324 10 10 DECE O=C(CCN1CC[C@H](F)C1)NCc1cc(Cl)ccc1O 1644590548 DRLHJGUCWVMXIZ-LBPRGKRZSA-N 300.761 2.096 10 10 DECE COC(=O)CCN(C(=O)/C=C/c1cncnc1)c1ccccc1 1866370885 SCCIXDTVZFWWFL-BQYQJAHWSA-N 311.341 2.086 10 10 DECE C[C@H](N[C@@H]1CCS(=O)(=O)[C@@H](C)C1)c1cc(F)ccc1O 2143960582 OCIFCGWQZYSQEM-JBLDHEPKSA-N 301.383 2.148 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)NCCN=[N+]=[N-] 1965101716 GSVYRERCLAMWFI-WRWGMCAJSA-N 323.397 2.352 10 10 DECE Cn1nnc(Br)c1CN[C@H]1CCc2cccc(O)c21 1967544584 ZGFPICDLZHGNAY-VIFPVBQESA-N 323.194 2.060 10 10 DECE CC(C)(C)OC(=O)NCCCCNC(=O)Cc1ccc(N)cc1 1977675785 GFZUMVZGKPCHLV-UHFFFAOYSA-N 321.421 2.232 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1985102493 HVEQICOULGSESH-IAQYHMDHSA-N 323.397 2.402 10 10 DECE CCOC(=O)c1cnn([C@@H](C)c2ccc(OC)cc2O)c1O 2070467344 WQPVMUJHSNLTIJ-VIFPVBQESA-N 306.318 2.089 10 10 DECE Cc1ccc([C@@H](C2CCC2)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079112285 RFFGZSMUGQNPIQ-OAHLLOKOSA-N 314.389 2.276 10 10 DECE CC[C@H](CCCOCCc1ccc(N)cc1)S(=O)(=O)O 2176290914 SYBIJFMPWCIQPK-CQSZACIVSA-N 301.408 2.275 10 10 DECE COc1ccc(N2CCN[C@H]3C[C@@H]32)c(OC)c1Br 2044327523 FKKPSYOAHDDMTR-WPRPVWTQSA-N 313.195 2.017 10 10 DECE Oc1c(F)cc(Br)cc1CN1CCN[C@H]2CC[C@H]21 2049405403 VBFJSHGYLKPUOZ-NWDGAFQWSA-N 315.186 2.230 10 10 DECE CCC[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 2186376183 PQYRRTFLPRXBMH-GFCCVEGCSA-N 300.424 2.003 10 10 DECE OCc1ccc(N2CC[C@H]3[C@H](C[C@H]3O)C2)cc1Br 2217845922 WSSFKCVJMOYSQZ-SCDSUCTJSA-N 312.207 2.149 10 10 DECE COc1ccc(N2CCC(O)CC2)c(OC)c1Br 2219390261 SHMIUEUWGBUOMU-UHFFFAOYSA-N 316.195 2.427 10 10 DECE COc1cc(N(C)C2CCC3(CC2)OCCO3)ccc1CN 2226054827 WGKKNMZTIUYGIK-UHFFFAOYSA-N 306.406 2.276 10 10 DECE Cc1ccc(/C=C/C(=O)N(CCC(N)=O)c2ccccc2)cn1 492503471 MUMNTRUWPBOTOL-MDZDMXLPSA-N 309.369 2.312 10 10 DECE O=C(O)[C@H]1[C@@H]2C[C@H]1CN2Cc1ccc(Br)cc1O 2311841925 NRGVRCUVNMXBQW-PTOFAABTSA-N 312.163 2.060 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2C[C@H]3O)cc1Br 2315480228 JZPVXZHJFAAJCA-LJWDBELGSA-N 312.207 2.291 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)NCc3ncnn3C)c2C)c1 173384477 OTIUUOUPYRZJIX-UHFFFAOYSA-N 323.400 2.461 10 10 DECE CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1O 177307873 NWRYYRBOCQZEBG-HIFRSBDPSA-N 305.378 2.359 10 10 DECE C[C@@H](Sc1nnc(N(C)C)s1)C(=O)Nc1ccc(N)cc1 111315272 PJKWWGHATWAWSC-MRVPVSSYSA-N 323.447 2.306 10 10 DECE OC[C@@H]1CCC[C@H]1NCc1cc(Br)ccc1O 230680431 WZYZPIQYJCOGKG-JOYOIKCWSA-N 300.196 2.405 10 10 DECE COc1ccc(CN2CCN(Cc3ccncc3)CC2)c(O)c1 184715497 QGMVDNZZYIITLG-UHFFFAOYSA-N 313.401 2.114 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1C1CC1 191007890 HVJCOHVWQYQRDE-SECBINFHSA-N 301.346 2.059 10 10 DECE Nc1ccc(CCNS(=O)(=O)c2cc(F)ccc2F)cc1 40675703 JGUMFYQXLBTOEG-UHFFFAOYSA-N 312.341 2.068 10 10 DECE CN(CCOCc1ccccc1)C(=O)c1ccc(O)c(O)c1 384309487 FCTHAEFEZDQYMI-UHFFFAOYSA-N 301.342 2.387 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccnn1C 278247751 MBWSHGZEKWFLDO-UHFFFAOYSA-N 314.433 2.466 10 10 DECE Oc1cccc2c1[C@H](N[C@H]1CCCN(c3ncccn3)C1)CC2 391912189 LJOOEWDMKGWJDN-LSDHHAIUSA-N 310.401 2.428 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC12CC2 817515497 LCJCLSHOLRSRBY-MRXNPFEDSA-N 300.402 2.282 10 10 DECE CCc1cccc(CN2CCC[C@]2(COC)C(=O)OC)c1O 827487990 BHSTWWMKRKRKAM-KRWDZBQOSA-N 307.390 2.109 10 10 DECE CCOc1ccc(CN[C@@H]2CNCC3(CCOCC3)C2)c(O)c1 903973205 BGERSWRQKHGXKL-HNNXBMFYSA-N 320.433 2.039 10 10 DECE COc1ccc(N2CC[C@H](NC[C@@H]3CCN[C@@H](C)C3)C2)cc1 849350208 MAZVOOXIUBBUKJ-XHSDSOJGSA-N 303.450 2.252 10 10 DECE C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 844322399 MGJMMPSETAPTQY-BLLLJJGKSA-N 303.406 2.386 10 10 DECE Cc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 840950061 IZOQHWKIBBUOCS-LLVKDONJSA-N 317.838 2.221 10 10 DECE CCOc1cccc(CN2CCO[C@@]3(CCSC3)C2)c1O 843417384 FELBJLKQYZJKQB-INIZCTEOSA-N 309.431 2.499 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1[C@H](N)c1ccccc1O 1895405714 IWHMIYTWVYAOJS-GZBFAFLISA-N 322.405 2.322 10 10 DECE COc1ccc(CNC(=O)NC[C@@H]2CCOC2(C)C)c(O)c1 852684536 IUHFFPIJLQLUBS-LBPRGKRZSA-N 308.378 2.015 10 10 DECE CCOCc1cc(CNC[C@@H](OC)[C@@H]2CCOC2)ccc1OC 850344818 XNXHOKTWXQMQMJ-CRAIPNDOSA-N 323.433 2.373 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)c1O 850375027 VCKBFJLEXUUOAW-CCUNJIBTSA-N 324.764 2.371 10 10 DECE COc1ccc(N2CC[C@@H](N[C@H](C)c3c[nH]ccc3=N)C2)cc1 854216666 CBGAIEUOTDONHH-ZIAGYGMSSA-N 312.417 2.432 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)C1(n2cccn2)CC1 930205228 INTPGEPQIPYMQW-UHFFFAOYSA-N 310.401 2.289 10 10 DECE COCCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C 869147741 VOQDQNNANPAXSG-UHFFFAOYSA-N 323.780 2.127 10 10 DECE COC(=O)[C@@]1(OC)CCN(Cc2ccc3ccccc3c2O)C1 862475622 QTQAQRXRXMNXGC-GOSISDBHSA-N 315.369 2.309 10 10 DECE Cn1ncc(C(=O)CSc2ncc(-c3ccccc3)n2C)n1 789896276 WDTKBTNUGDYXCR-UHFFFAOYSA-N 313.386 2.191 10 10 DECE CN(C)CC1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 788305418 ANGILLQDXZNUPB-UHFFFAOYSA-N 310.369 2.087 10 10 DECE COC(=O)[C@H]1[C@@H](CNCc2ccc(N(C)C)cc2C)C1(F)F 894256795 WODLAQRHLVLGOC-ZIAGYGMSSA-N 312.360 2.205 10 10 DECE CC(C)Cn1ccnc1CNC(=O)c1c(F)ccc(O)c1O 790070524 BOZWTULOWXKBMW-UHFFFAOYSA-N 307.325 2.019 10 10 DECE CCn1cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 1346217700 FVQVRWLIVPXKRL-UHFFFAOYSA-N 313.401 2.275 10 10 DECE CCn1cc(C(=O)N(C)CCN=[N+]=[N-])nc1Br 1912174957 GVAHUXBQEWCIFC-UHFFFAOYSA-N 301.148 2.048 10 10 DECE CC(C)CN1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1446515386 ITJQEGTUVSFDOH-HNNXBMFYSA-N 320.433 2.125 10 10 DECE c1cc2c(cc1CN[C@@H]1CCCC[C@H]1N1CCOCC1)CCO2 1461285232 YHXAJUXXIZMRDF-QZTJIDSGSA-N 316.445 2.355 10 10 DECE CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(O)c1O 1465380856 FBQFXMFODUYJKE-UHFFFAOYSA-N 300.314 2.018 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCOC1 1707861778 VCJDSVXOCRTGTR-CQSZACIVSA-N 316.405 2.355 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1c1ncccn1 1557578073 GXOAYIYKVZBMQV-IYNGYCSASA-N 311.341 2.265 10 10 DECE CC(C)(O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1635812498 GEGVKEQUNXZVFE-UHFFFAOYSA-N 318.377 2.472 10 10 DECE C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1566669650 KEFPBCOFYNTXMH-ZWNOBZJWSA-N 304.350 2.225 10 10 DECE CCCOc1ccnc(CC(=O)N(C)Cc2ccccc2O)n1 1631151762 UIDVCMHOYOPVBM-UHFFFAOYSA-N 315.373 2.172 10 10 DECE NC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 1640402325 PVLQKVSYMPPBHP-UHFFFAOYSA-N 319.748 2.466 10 10 DECE Nc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 166894046 HBGFLXGEZYWETH-UHFFFAOYSA-N 301.371 2.484 10 10 DECE CC(C)[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 154014291 SBTQROWUNLBEKV-NVXWUHKLSA-N 321.417 2.307 10 10 DECE Cc1ccc(O)c(CNCC(=O)Nc2cc(Cl)ccn2)c1 1857858201 XJAMXWCQNQAOND-UHFFFAOYSA-N 305.765 2.477 10 10 DECE Cc1cccc(O)c1CNCc1cn(C)nc1Br 896280723 BKXHVYRLBXKNDM-UHFFFAOYSA-N 310.195 2.486 10 10 DECE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985094862 VFBHDTCZIYNIKS-ZYHUDNBSSA-N 323.397 2.401 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C2 1985094236 LYYBOYSQDGPKES-JRPNMDOOSA-N 323.397 2.449 10 10 DECE N[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1C(F)F 2040867626 GUMKYMCGLCFAAU-UWVGGRQHSA-N 321.165 2.179 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(Cl)c1 2170262762 UKFATFCTLUSTBR-WDEREUQCSA-N 316.854 2.071 10 10 DECE CP(C)(=O)[C@H]1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160827284 DVPQMVRQMJQLLA-CMPLNLGQSA-N 301.331 2.066 10 10 DECE CC(C)CNCc1ccc(N2CC(O)C2)cc1Br 384105649 GFAWBSVZYARITQ-UHFFFAOYSA-N 313.239 2.376 10 10 DECE C[C@H](NCc1ccc(Br)cc1O)c1cn(C)nn1 720612158 PAQYDAHARLBHCZ-QMMMGPOBSA-N 311.183 2.134 10 10 DECE CN1[C@H]2CC[C@@H]1CN(c1ccc(CN)c(Br)c1)C2 723913147 RJRJAGDOHKCPJW-BETUJISGSA-N 310.239 2.191 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCC4(CC4)C3)c(Br)cc21 400013822 XYVPSEXSBZITIJ-LBPRGKRZSA-N 322.206 2.391 10 10 DECE [N-]=[N+]=NCC1(CNS(=O)(=O)c2ccc(F)cc2F)CC1 2174351519 LYPKBIVDPNXYKM-UHFFFAOYSA-N 302.306 2.334 10 10 DECE CC[C@H](c1cc(Br)ccc1O)N1C[C@H]2[C@H](N)[C@H]2C1 2045667175 AJLCGFGXLRWLCI-CZXHOFHRSA-N 311.223 2.495 10 10 DECE CCN(Cc1ccc(C)c(Br)c1O)S(C)(=O)=O 2307474090 TVOKZMVVVKQKHF-UHFFFAOYSA-N 322.224 2.245 10 10 DECE COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(C)cs2)c1 182399555 KQWBIZGLAZLMMU-SNVBAGLBSA-N 321.402 2.455 10 10 DECE COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C)c1O 180234654 NNNDWWKTEIEYBN-QWHCGFSZSA-N 313.781 2.116 10 10 DECE CO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1(C)C 318726450 SWHNUOGYXDILSF-DLBZAZTESA-N 304.434 2.426 10 10 DECE COc1ccc(Br)c(CN[C@H]2CCCOC2)c1O 1964033014 QHAKWQYWSIYGQG-VIFPVBQESA-N 316.195 2.432 10 10 DECE Nc1ccc(-n2ccc(C(=O)NC3CCSCC3)n2)cc1 136301786 KZFFBWZPZZUYMY-UHFFFAOYSA-N 302.403 2.080 10 10 DECE COc1cccnc1N(C)C(=O)/C=C\c1c(C)nn(C)c1Cl 263634151 LVPBSJDPZPBUBO-FPLPWBNLSA-N 320.780 2.462 10 10 DECE COc1cc(N2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC 372259938 DWGNBYJLFKAICM-HNNXBMFYSA-N 308.334 2.227 10 10 DECE O=C(c1cccc(O)c1O)N1CCO[C@H](c2cccc(O)c2)C1 376936141 BETUYLNZQVHQED-HNNXBMFYSA-N 315.325 2.017 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(N(C)C)ccn1 808092880 BALGWHJMXPEXCQ-UHFFFAOYSA-N 320.389 2.269 10 10 DECE CCN(CC)c1ccc(CN2C[C@H]3COC[C@@H](C2)O3)cc1F 802657819 UTPDSCHJKWHKBI-GASCZTMLSA-N 308.397 2.272 10 10 DECE CC(C)n1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1 815836056 OUDJHSVEDLWPJR-UHFFFAOYSA-N 314.389 2.373 10 10 DECE OCCN1CCCC[C@@H]1CNCc1ccc2ccccc2c1O 824583741 PPMIATQPWZQUFU-QGZVFWFLSA-N 314.429 2.482 10 10 DECE COc1ccc(O)c(CN2CCC[C@H](C(=O)NC(C)C)C2)c1 827687311 OIKIBSYJFVDVCH-ZDUSSCGKSA-N 306.406 2.137 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CCC[C@H](C1)N2 841823836 HOKYYFIWAHPHSW-IYBDPMFKSA-N 316.449 2.097 10 10 DECE CCOCc1cc(CN[C@H]2CC23CCNCC3)ccc1OC 841077769 CVVDGTFMKMOZNG-KRWDZBQOSA-N 304.434 2.463 10 10 DECE O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc2cccnc2c1O 862025957 CSKYBJOLOGKNAF-DZGCQCFKSA-N 314.385 2.498 10 10 DECE O=C1CN(C2CCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 761379136 NBYVTKIAENFWCX-UHFFFAOYSA-N 311.385 2.380 10 10 DECE Cc1cccc(N2CCN(CC(=O)Nc3ccc(N)cc3)CC2)c1 62460476 GBRIVBJHGBOZNJ-UHFFFAOYSA-N 324.428 2.338 10 10 DECE CC(=O)c1cn(C2CN(Cc3c(O)cc(C)cc3Cl)C2)nn1 897940624 UDUMIPFMBARVCL-UHFFFAOYSA-N 320.780 2.205 10 10 DECE COCCCNC[C@H]1CCN(c2ccc(OC)c(OC)c2)C1 76378975 LRVQUAWJGSGWCL-CQSZACIVSA-N 308.422 2.156 10 10 DECE CC[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)OC 895140609 UZXZGBKAPXJPJS-SNVBAGLBSA-N 300.349 2.320 10 10 DECE CC(C)c1nnc(C(=O)NCCc2ccc(O)c(O)c2)s1 799627846 MQSNNDDZMYIROT-UHFFFAOYSA-N 307.375 2.045 10 10 DECE CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1O 1296571650 NFUNAJDSPKICGF-LBPRGKRZSA-N 304.350 2.082 10 10 DECE CC1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1633571556 MKWQFXGWIXORDI-UHFFFAOYSA-N 304.350 2.084 10 10 DECE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2ncc[nH]2)cc1C 1570602373 VUDBAPWTRIBXKL-QWHCGFSZSA-N 316.405 2.023 10 10 DECE CNc1ncccc1C(=O)NCc1ccc2c(c1)CCCN2C 1583627932 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OCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c(Br)c1 2037417732 BKXISNJUFDVHEK-GDNZZTSVSA-N 312.207 2.434 10 10 DECE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@H](P(C)(C)=O)C1 2160834565 MEVWAFHKOJZJKG-CMPLNLGQSA-N 302.315 2.363 10 10 DECE CNCc1ccc(N2C[C@H](C)[C@@H](CO)C2)c(Br)c1 708160103 BYHOURPETHHINA-CMPLNLGQSA-N 313.239 2.233 10 10 DECE CN(Cc1c(O)cccc1Br)CC(F)(F)C(=O)O 2263469581 BKZFTHCSJMMXEP-UHFFFAOYSA-N 324.121 2.306 10 10 DECE O=C(O)C=CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2293031005 RYPDDHYEWBGMKY-UHFFFAOYSA-N 321.288 2.041 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311889274 SXTNUGSRFKNUEG-DIUUZDHRSA-N 311.223 2.286 10 10 DECE C[C@@H](Nc1nn(C)nc1Br)c1cc(O)ccc1O 2320059929 ROUJVYRFNJZJTR-ZCFIWIBFSA-N 313.155 2.162 10 10 DECE CN1CCc2cc([C@H](NCc3cccs3)C(N)=O)ccc21 50287613 QFPHTLZLVANVBA-HNNXBMFYSA-N 301.415 2.057 10 10 DECE COc1ccc(-n2nnc(C(=O)Nc3ccc(N)cc3)c2C)cc1 178352485 KRBQRSREAUSSIL-UHFFFAOYSA-N 323.356 2.419 10 10 DECE COc1ccc(O)c(CN2CCN(c3cccs3)C(=O)C2)c1 185670823 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O=C(NCc1ccccc1O)N[C@@H](C1CC1)[C@@H]1CCCOC1 915525750 QSCAXDBXUBKSKL-ZBFHGGJFSA-N 304.390 2.397 10 10 DECE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(CCc1ccc(N)cc1)C2 1894532264 HUGSIEIOUZOZKB-KSSFIOAISA-N 317.433 2.410 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)SC)C2)cc1 852222770 KWXOVNWNPAYNKN-CHWSQXEVSA-N 323.462 2.325 10 10 DECE O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(O)c1O 922620450 RXZOBAWZJCDUSX-GMSGAONNSA-N 306.236 2.365 10 10 DECE Cc1cc(CC(=O)NCc2cnn(C)n2)c(C)n1-c1ccccc1 854451923 KSAOABISNWCRTP-UHFFFAOYSA-N 323.400 2.082 10 10 DECE Cc1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)c(O)c1O 928208326 PKTUHCCSWNRZRE-UHFFFAOYSA-N 315.373 2.160 10 10 DECE C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925474376 JDNLOQZPZYTQGR-LFVTVUPYSA-N 317.502 2.326 10 10 DECE CO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 852791934 NHTWAGODDXFPLZ-SJORKVTESA-N 319.449 2.074 10 10 DECE C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2O)CS1(=O)=O 850368740 PJTICMPFRUUHHI-SKDRFNHKSA-N 303.811 2.101 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CC=CCC3)C2)cc1 852455022 RULZHQHZXZDNKI-AWEZNQCLSA-N 301.390 2.245 10 10 DECE CCOC(=O)[C@@H]1CCN[C@H]1c1cccc(Br)c1O 1952859470 AHXGTSLFHJUSIG-KOLCDFICSA-N 314.179 2.368 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 862755899 MUKSBXIWWVHYOD-LBPRGKRZSA-N 316.323 2.344 10 10 DECE CCOC(=O)c1nn(Cc2ccc(N(C)C)cc2)c(N)c1C 82823061 PRSNQCNKVMFEJZ-UHFFFAOYSA-N 302.378 2.065 10 10 DECE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 897903765 CTXRBNHCNIWATB-SPWWOFFBSA-N 308.765 2.021 10 10 DECE OCc1ccc(N2CCS[C@H](CO)C2)cc1C(F)(F)F 720040367 WKIWEPZKFWFBDX-NSHDSACASA-N 307.337 2.112 10 10 DECE COC(=O)COc1ccc(N(C)C(=O)c2cc(O)cs2)cc1 1154083835 DWCVAKZQGUTAOZ-UHFFFAOYSA-N 321.354 2.282 10 10 DECE COC1CN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1912004199 XYNQJHKPLJLAFI-UHFFFAOYSA-N 312.163 2.382 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3C(F)(F)F)c(Cl)cc21 1916175984 ZSBRHFCJWAUQFR-UWVGGRQHSA-N 305.687 2.433 10 10 DECE Cn1nc(C(=O)N2Cc3cccc(O)c3C2)cc1Br 1471355538 KBUAQVFDTXSDRS-UHFFFAOYSA-N 322.162 2.044 10 10 DECE O=C(CCN1CSCCSC1)NCc1ccccc1O 1622772909 NLZNLEGUHCDMGK-UHFFFAOYSA-N 312.460 2.096 10 10 DECE C[C@@H](NC(=O)Cc1nc(C2CC2)n[nH]1)c1ccc(N(C)C)cc1 1625543051 BBZRBPZSAZCREZ-LLVKDONJSA-N 313.405 2.168 10 10 DECE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc(O)cc1O 1638352910 WWWKAPAGFGXROI-SECBINFHSA-N 323.295 2.460 10 10 DECE Cc1ccc(F)cc1C(=O)C(=O)NCc1ccc(O)cc1O 1639444250 DDUGBKPREQWWTP-UHFFFAOYSA-N 303.289 2.044 10 10 DECE CC(=O)N(CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 1636231018 NPQZIRSLWAQGNM-UHFFFAOYSA-N 310.353 2.288 10 10 DECE CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 1638694085 PKYBSJFGYICJMI-QGZVFWFLSA-N 301.434 2.387 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(O)nc(C2CC2)c1 1645362779 CFZJIIRHCPCOEA-UHFFFAOYSA-N 300.314 2.006 10 10 DECE COc1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1 1643879508 SJYXSOOEJXHWCL-UHFFFAOYSA-N 301.342 2.355 10 10 DECE O=C(NCc1c(O)cccc1F)c1ncc2c(F)cccn12 1596917211 ZRETZBTXEANLFP-UHFFFAOYSA-N 303.268 2.248 10 10 DECE CNS(=O)(=O)c1cccc(NCc2cccc(F)c2O)c1 164964519 PMYIXPCWEHRTDJ-UHFFFAOYSA-N 310.350 2.052 10 10 DECE C/C(=C1\SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1 2700359 UGGDEUINYPHAPB-XYOKQWHBSA-N 323.395 2.458 10 10 DECE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865650000 PSIROXWNVFDKOF-NTEUORMPSA-N 324.336 2.366 10 10 DECE Nc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1F 236349191 YXSWTPVXNADLPB-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CC1(C)C[C@@H](NCc2cccc(Br)c2O)[C@H]1O 1998369769 UQYUAGOGLOCDMH-ZYHUDNBSSA-N 300.196 2.404 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1Br 2027968516 GLKHBJKMMIBLCZ-JCOFBHIZSA-N 318.186 2.412 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2nncn2C)c(Br)c1 311889523 XXPKEPHADXLFMK-VIFPVBQESA-N 324.226 2.234 10 10 DECE O=C1Nc2cc(N3C[C@@H]4CCC[C@H]43)c(Br)cc2[C@@H]1O 706730231 ZQCWQJLGTYWHEN-CQOUMUIBSA-N 323.190 2.423 10 10 DECE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)C(N)=O 711128920 HSRKZTXFKDVPFS-JGVFFNPUSA-N 301.184 2.021 10 10 DECE C[C@@H](N)c1ccc(N(C)CC[S@@](C)=O)c(Br)c1 399275292 VNRYQCVAQKUQME-VVVCHXIZSA-N 319.268 2.284 10 10 DECE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H](C)c3ccco3)c2n1 2062784156 QAIWZOHWTUCBMZ-JTQLQIEISA-N 300.318 2.170 10 10 DECE CCC[C@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2064379340 ZQZIDKKCKRWNIT-LBPRGKRZSA-N 302.378 2.396 10 10 DECE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(N)c1C(=O)O 2079981232 NWKXVLJVPIWHPV-GFCCVEGCSA-N 319.361 2.440 10 10 DECE CN1C[C@@H]2C[C@H](C1)CN2c1ccc(CN)c(Br)c1 2042534349 LNIFXOALHYFTGS-MFKMUULPSA-N 310.239 2.048 10 10 DECE CN(C)c1ccc([C@@H](O)c2nn(C)cc2Br)cc1 2044719920 RXNBKCXMHXORLM-CYBMUJFWSA-N 310.195 2.330 10 10 DECE CSc1ncc(CN[C@H](C)C(=O)NCC(F)(F)F)s1 2208463971 ODGUYMJAPWRIPT-ZCFIWIBFSA-N 313.370 2.022 10 10 DECE C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc(CO)cc1Br)C2 2258386569 WGBALVACFYYCJP-GNXNZQSNSA-N 312.207 2.149 10 10 DECE COCCN1C(=O)C(=Cc2ccccc2)C(C(=O)OC)=C1C 2297617271 YVTVQRXXJBJNLU-UHFFFAOYSA-N 301.342 2.006 10 10 DECE Cc1nn(C)c(Cl)c1C=CC(=O)N1CCOc2ccncc21 2297806392 RKYTXWSNPRZVDP-UHFFFAOYSA-N 318.764 2.216 10 10 DECE O=C(O)[C@]12C[C@H]1CN[C@H]2c1cc(Br)cc(F)c1O 2308894881 QETXLWZHYNFGLN-RBRSSROYSA-N 316.126 2.029 10 10 DECE CSc1ncc(CNC[C@@H]2COC3(CCC3)CO2)s1 2338154785 JVNJWWTYYIUPLK-SNVBAGLBSA-N 300.449 2.293 10 10 DECE C[C@@H](Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O 62744837 VGPGJBRSSPHDKH-SECBINFHSA-N 310.350 2.352 10 10 DECE COc1ccc(N2CCC(NC[C@@H]3CCC[C@H]3O)CC2)cc1 305160599 RECGLVMOKFHIPJ-KBXCAEBGSA-N 304.434 2.415 10 10 DECE COC(=O)/C=C/c1ccc(N2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 171047276 PDDFIEOWQNLTOB-PZBABLGHSA-N 320.345 2.396 10 10 DECE C[C@@H](Nc1ccc(CS(N)(=O)=O)cc1)c1ccccc1O 37137140 TXXPBJDNBILQHE-LLVKDONJSA-N 306.387 2.354 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@](C)(Cc2ccc(O)c(O)c2)C1 1952077032 VDALOQSMFKYPNY-KRWDZBQOSA-N 322.405 2.239 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1cc(O)c(O)c(O)c1 1952215580 YSTFZLUJDCKRNJ-LLVKDONJSA-N 324.377 2.075 10 10 DECE Cc1cc(C)c2c(c1)N(C(=O)c1ccnc3c1CC(=O)N3)CCO2 616547373 XVIZVGYADNPTAV-UHFFFAOYSA-N 323.352 2.232 10 10 DECE 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319.279 2.273 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 78904594 QKNZPVTVHWFKFT-CMPLNLGQSA-N 316.854 2.244 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C 1322032738 KAPDNORGVOZHBQ-KSSFIOAISA-N 320.433 2.025 10 10 DECE CC[C@@](O)(CC(=O)NCc1cccc(O)c1O)c1ccccc1 1349078497 HOQJACZKSVCASA-GOSISDBHSA-N 315.369 2.402 10 10 DECE COc1ccc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)s1 1912179176 RXLVYFAMPQYWMO-QMMMGPOBSA-N 302.381 2.220 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ccccn2)C1 1468382745 QIPXPUOBPQPDOX-CQSZACIVSA-N 312.369 2.442 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2ccccc2)C1 1557189385 IHCJXLFXBAHWEI-HNNXBMFYSA-N 313.353 2.320 10 10 DECE O=C1N=C(S)S/C1=C1/C(=O)N2CCCc3cccc1c32 1256094 TWYYRZTVLSRMHT-PKNBQFBNSA-N 302.380 2.250 10 10 DECE COc1cc(OC)c(C(=O)NCc2ccccc2O)cc1C=O 1631539991 ISLBOFYXZIISIN-UHFFFAOYSA-N 315.325 2.152 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c(Cl)c1 1637351168 QGKPRAXWOJHNPB-UHFFFAOYSA-N 307.733 2.316 10 10 DECE Nc1ccc(CC(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 168789118 ICIGVRMATRXAQR-QGZVFWFLSA-N 311.385 2.419 10 10 DECE CN(Cc1cc(Cl)cc(Br)c1O)OCC(=O)O 1942142225 JNIQQCYLBWDHLC-UHFFFAOYSA-N 324.558 2.256 10 10 DECE C[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C 1964888881 HYDSAUJBXNUAGC-YPMHNXCESA-N 320.389 2.406 10 10 DECE Oc1cccc(Br)c1CNCC[C@@H]1COCCO1 1965918135 NLRCAVAZCKODDG-SNVBAGLBSA-N 316.195 2.050 10 10 DECE CCNc1nc(Sc2nccs2)nc(-n2cccn2)n1 150293348 HMYSMJVKMGSPKX-UHFFFAOYSA-N 305.392 2.097 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1985095124 ZHTSEEZLTIVWQW-GDNZZTSVSA-N 323.397 2.258 10 10 DECE CC1(C)C[C@@H](O)CN1c1ccc(CN)c(Br)c1F 2037324467 FYGSCHHLTUUGEC-SECBINFHSA-N 317.202 2.397 10 10 DECE CC[C@H](NCc1c(O)cccc1Br)C(=O)N(C)C 2038812234 KVSJSSJQEWGHAT-NSHDSACASA-N 315.211 2.111 10 10 DECE C[C@@H]1CN(c2ccc(CO)c(C(F)(F)F)c2)CC[S@@]1=O 2171960405 QUWLSYYLSBPFIK-YBYGRFCBSA-N 307.337 2.155 10 10 DECE Cc1cn2c(n1)CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)C2 2063782997 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Cc1ccc(CN2CC[C@H]3C[C@@]3(O)C2)c(O)c1Br 2327620554 FCLINCCDTCBLOF-SMDDNHRTSA-N 312.207 2.420 10 10 DECE COc1cccc(CNC(=O)Nc2ccc(N(C)C)nc2)c1O 105000409 XGIHPQWZOVBVMS-UHFFFAOYSA-N 316.361 2.184 10 10 DECE Oc1c(CN2CCOCC2)cc(Cn2ccnc2)c2cccnc12 59500523 AHTLQANWENJWIG-UHFFFAOYSA-N 324.384 2.017 10 10 DECE CC[C@H](O)CN1CCN(Cc2ccc(N(CC)CC)cc2)CC1 123608829 TXVLXOFIGHHYHN-IBGZPJMESA-N 319.493 2.421 10 10 DECE C[C@@H](NCC1(CCO)CC1)c1ccc(N2CCC(O)CC2)cc1 188071544 LWAARAKNJNQQDG-OAHLLOKOSA-N 318.461 2.461 10 10 DECE OC1CN(c2ccc(CNC3CCC3)cc2Br)C1 2223530386 IIYMXUSLNLDPFA-UHFFFAOYSA-N 311.223 2.272 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@@H](c2cnn(C)c2)N(C)C)c1 185485314 DZMOSTZEWZFJSH-WBMJQRKESA-N 318.421 2.088 10 10 DECE O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccsc2)C1 193133083 LWCCZAQIEYNULF-CYBMUJFWSA-N 305.355 2.373 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O 281427001 ZHHCXQSDSYZOTE-MFKMUULPSA-N 310.781 2.284 10 10 DECE CC1(C)COCCN1CCNCc1cc(Cl)c(F)cc1O 293554384 HKSUYZULSOVLAE-UHFFFAOYSA-N 316.804 2.385 10 10 DECE C[C@H](NC1COCCOC1)c1cc(Br)ccc1O 813880826 QLGQACRTVYBTLV-VIFPVBQESA-N 316.195 2.221 10 10 DECE CN(C)c1ccc(CNC(=O)N2C3CCC2(C(=O)O)CC3)cc1 908757456 ADDICEFHRDSWIT-UHFFFAOYSA-N 317.389 2.044 10 10 DECE COc1ccc(N2CCN(CCn3cc(C)cn3)CC2)cc1 730087461 ZIADTUAURDJTKT-UHFFFAOYSA-N 300.406 2.022 10 10 DECE CC(C)COC[C@H](O)CNC/C=C/c1ccc(N(C)C)cc1 835034840 FQSYGPWQMOEWAI-DUMMIQTOSA-N 306.450 2.389 10 10 DECE COc1ccc(N2CCC(N[C@H]3CCCCNC3)CC2)cc1 841088594 ATBHYTPEJZHEOF-INIZCTEOSA-N 303.450 2.396 10 10 DECE CCCN(Cc1ccc(N2CCOCC2)cc1)C1CCNCC1 843044159 FUVIGAQFQKFPJW-UHFFFAOYSA-N 317.477 2.487 10 10 DECE COC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1SC 840914993 YFOVUCHNQQFJSE-UHFFFAOYSA-N 305.421 2.281 10 10 DECE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(N)CC(=O)O)c(O)c1 1952417301 DKWWTJMXCNBJAS-HNNXBMFYSA-N 310.350 2.388 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(N)cc1 1952753172 UJHFAIISNWLNSR-CQSZACIVSA-N 321.421 2.199 10 10 DECE C[C@@H](NCc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 922121968 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10 DECE CCn1cnc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773088233 NNRZAMXKRSZTSO-LBPRGKRZSA-N 322.434 2.009 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cncc(O)c1 779667576 XCQNJSJTJWWMOD-DAXSKMNVSA-N 311.385 2.491 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1coc(-c2cccnc2)n1 1137443403 ODFBCVYLQJAMPU-UHFFFAOYSA-N 311.297 2.078 10 10 DECE CC(C)(C)[C@@H](O)C[C@H](CO)NCc1c(O)cccc1Cl 790618946 MBYWDUZROZVIOS-YGRLFVJLSA-N 301.814 2.293 10 10 DECE COC(=O)[C@@H](C)N(C)Cc1cc(C)cc(Br)c1O 793325402 QRXQJMVNPBFHCI-SECBINFHSA-N 316.195 2.456 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 192680607 PKZKMXXNDDRLIF-NSHDSACASA-N 310.394 2.404 10 10 DECE COC(=O)CCCCC(=O)NCCCSc1nccs1 1144322513 UQBQNYRSHUESIF-UHFFFAOYSA-N 316.448 2.475 10 10 DECE COc1ccc(O)c([C@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)c1 797072728 ZFWIODDDJVZXAJ-WDEREUQCSA-N 313.419 2.017 10 10 DECE C[C@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccccc1O 1171729412 BUJQEMGSEYBLDO-JTQLQIEISA-N 312.325 2.328 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@H](C)OC)CCC2)cc1C 1280468794 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COC(=O)c1cccc(N)c1N[C@@H]1CCCC2(C1)OCCO2 1876465399 ACPHMVBHAHDRRV-LLVKDONJSA-N 306.362 2.153 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985093633 CGFULUYSJBWZGM-WISYIIOYSA-N 321.381 2.153 10 10 DECE N[C@@H]1C[C@H]2CC[C@H]1N(Cc1cc(Br)ccc1O)C2 700882427 PIMGQXXBUNULMT-OASPWFOLSA-N 311.223 2.466 10 10 DECE [N-]=[N+]=NCCCNC(=O)c1cc(Br)cnc1F 700905082 AJJBPWYEQXNPKX-UHFFFAOYSA-N 302.107 2.413 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2NCC[C@H]2C1 691488834 TUWHOZAOEKAQJB-GXFFZTMASA-N 311.223 2.339 10 10 DECE CCc1ccncc1NC(=O)NCCc1ccc(O)c(O)c1 2062463111 YMPCKOYGXJCECI-UHFFFAOYSA-N 301.346 2.419 10 10 DECE Nc1ccc(O)c(CN2CCC3(CCC4(CC3)OCCO4)C2)c1 2169508490 WEUYCJIYTBRBRV-UHFFFAOYSA-N 318.417 2.484 10 10 DECE COc1ccc([C@@H](n2nc(C)c(N)c2N)C2(C)CC2)c(O)c1 2079969601 GFZHLLSWKBXMGY-CQSZACIVSA-N 302.378 2.460 10 10 DECE Cc1noc(CN(C)c2ccc(CO)cc2Br)n1 2042264962 FZPBFADBLKKZOM-UHFFFAOYSA-N 312.167 2.269 10 10 DECE Cc1nnc(CN(C)c2ccc(CN)cc2Br)o1 2051779574 INLWWTDKLIPHQB-UHFFFAOYSA-N 311.183 2.236 10 10 DECE NCc1ccc(N2CC3(CC[C@H]3O)C2)c(F)c1Br 2059151765 ANPQOBDKWQFPPP-SNVBAGLBSA-N 315.186 2.008 10 10 DECE Cn1cccc(NCc2c(O)cccc2Br)c1=O 2217985363 KGWPZTDPTJPGID-UHFFFAOYSA-N 309.163 2.466 10 10 DECE Nc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 2294729347 KYGYWUSIVKMLSJ-UHFFFAOYSA-N 302.277 2.487 10 10 DECE Cc1ccc(CNC2([C@@H](C)O)CC2)c(O)c1Br 2307480270 REOPZHVBSFOOON-SECBINFHSA-N 300.196 2.466 10 10 DECE CC(C)(C)OC(=O)N[C@](C)(Cc1cccc(O)c1O)C(=O)O 1951724361 NWCCVNHBHIDREM-OAHLLOKOSA-N 311.334 2.008 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]21 187960396 ZCMIYUZULQSJAT-ZACQAIPSSA-N 317.433 2.462 10 10 DECE C[C@H]1CCCCN1CCNC(=O)/C=C/c1ccc(O)c(O)c1 180931638 HBUWAKZEZWTPDI-CFNZNRNTSA-N 304.390 2.102 10 10 DECE COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)sc2c1CCCC2 83237727 LTBVGFVOQJAUHM-BDAKNGLRSA-N 323.370 2.073 10 10 DECE Cc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)o1 193147802 VDZKQYIBNMVDEK-AWEZNQCLSA-N 303.314 2.213 10 10 DECE N[C@@H](c1cc(Br)cc(Cl)c1O)C(F)(F)CO 95716363 STCDLBMAZYGHME-QMMMGPOBSA-N 316.529 2.436 10 10 DECE COC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCC(C)CC1 262646287 SNKPKCDDUGRKEB-UHFFFAOYSA-N 304.390 2.049 10 10 DECE CC(=O)C(=O)COC(=O)c1ccnc(OC2CCCCC2)c1 808533345 JKVJSLUGSNGPNR-UHFFFAOYSA-N 305.330 2.108 10 10 DECE CN(C)c1ccc(CN(c2nc(C(N)=O)cs2)C2CC2)cc1 292549493 RIZQXVYQZYYBSQ-UHFFFAOYSA-N 316.430 2.477 10 10 DECE COc1ccc(CNC(=O)C2(C(=O)O)C(C)(C)C2(C)C)c(O)c1 901636748 PSIYXFAJOACGTB-UHFFFAOYSA-N 321.373 2.154 10 10 DECE CC[C@H](NCc1ccc2c(c1)CCO2)c1ncc(C(=O)O)[nH]1 904065878 VMFWNEFRFZPIQH-LBPRGKRZSA-N 301.346 2.284 10 10 DECE COc1ccc(CNC(=O)NCCc2ncccc2C)c(O)c1 836601149 FMVKRVJXWDDMDL-UHFFFAOYSA-N 315.373 2.146 10 10 DECE CCC[C@@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 835028038 IRBRESNNHOOHHF-QQOXCAACSA-N 301.434 2.366 10 10 DECE C[C@H]1CN(CCO)[C@H](C)CN1Cc1c(O)ccc(Cl)c1F 841891204 KIAJBGOJFSYESD-MNOVXSKESA-N 316.804 2.072 10 10 DECE Cc1ccc(C(=O)N2C[C@]34CCCC[C@@]3(COC4)C2)c(O)c1O 856422190 HSBHAFFZPQXMAU-ROUUACIJSA-N 317.385 2.439 10 10 DECE C[C@H](NCCCCCN1CCNCC1)c1ccc(N(C)C)cc1 925844958 MTVKONCUOQXVMZ-KRWDZBQOSA-N 318.509 2.479 10 10 DECE C[C@@H]1[C@H](N(C)C)CCN1Cc1ccc(N2CCOCC2)cc1 931039304 QGUZHUYTFBVRCJ-CRAIPNDOSA-N 303.450 2.048 10 10 DECE COC(=O)c1cc(OCC(=O)c2ccc[nH]2)ccc1N(C)C 865396124 LCMZKEHQLPKGDX-UHFFFAOYSA-N 302.330 2.129 10 10 DECE COc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1O 866764193 QRORTCOAAJQDNX-UONOGXRCSA-N 305.374 2.080 10 10 DECE Cc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)c(O)c1O 871120553 QWYDAMSPNFBLJA-UONOGXRCSA-N 305.374 2.484 10 10 DECE COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1ccccc1O 895713347 OEWFCPWQVXCIGY-UHFFFAOYSA-N 323.389 2.099 10 10 DECE CCn1cc(CN2CCCc3cc(OC)cc(OC)c32)nn1 899869523 CGVPEFNCQDQPMV-UHFFFAOYSA-N 302.378 2.268 10 10 DECE C[C@H]1C[C@H](O)CCN1c1ccc(CO)cc1Br 705198819 JJCRXOBNPMWABF-GXSJLCMTSA-N 300.196 2.291 10 10 DECE C[C@@H](NCc1ccc(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1 686266577 MPHDQNGIZDNOGD-LLVKDONJSA-N 322.405 2.443 10 10 DECE COc1cccc(CNC(=O)c2nc[nH]c2C(F)(F)F)c1O 1150542847 FQFZDSSBDLKQEI-UHFFFAOYSA-N 315.251 2.073 10 10 DECE CCOc1ccc(N2CCN(CCO[C@H]3CCOC3)CC2)cc1 1332684135 KFHVAVAVUDKOQY-SFHVURJKSA-N 320.433 2.013 10 10 DECE CN(C)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1F 1292281621 FQQUSNXABDASEG-UHFFFAOYSA-N 318.348 2.162 10 10 DECE Cc1ccc2c(c1)C=C(C(=O)NCc1ccc(O)cc1O)CO2 1451745897 CTOXFDGFHNTXTI-UHFFFAOYSA-N 311.337 2.498 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@H](CO)c1ccc(Cl)cc1 1469158926 GWGBMDQKKBKQLI-CQSZACIVSA-N 321.760 2.144 10 10 DECE CC(=O)NCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1610437728 BWLCIHZMPOBPMI-UHFFFAOYSA-N 318.304 2.125 10 10 DECE COc1ncc(/C=C/C(=O)N(C)c2ccc(Cl)nc2)cn1 1542609721 FDBKAKJQHGPOGT-ZZXKWVIFSA-N 304.737 2.210 10 10 DECE COc1cccc(CNC(=O)c2nc3cnccc3s2)c1O 1545684406 VRFRCROAUFICMD-UHFFFAOYSA-N 315.354 2.336 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnncc1O 1540488048 ARHMYAPAKUILDB-UHFFFAOYSA-N 312.373 2.055 10 10 DECE CC(=O)Nc1ccc(C)c(C(=O)NCc2c(O)cccc2O)c1 1558534236 QSXTXARZWOGPIH-UHFFFAOYSA-N 314.341 2.295 10 10 DECE Cc1cccc(C)c1OCC(=O)NCc1cc(O)ccc1O 1558174276 IVEAWUTZNOQOBT-UHFFFAOYSA-N 301.342 2.410 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC2(CCCC2)C1 1631751175 QLHFRHHNKSRQDF-ZDUSSCGKSA-N 305.374 2.248 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cnc2c[nH]nc2c1 1632228096 KPGFXQNGQHENCT-UHFFFAOYSA-N 302.721 2.247 10 10 DECE O=C(CCSc1ccccn1)NCc1cc(O)ccc1O 1633595388 UKTSWPWSCZOJNG-UHFFFAOYSA-N 304.371 2.291 10 10 DECE COC(=O)c1cnc(S[C@H](C(N)=O)c2ccccc2)s1 1641152468 YVWCZYIQRBXSMV-JTQLQIEISA-N 308.384 2.248 10 10 DECE C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccccc1O 1642824192 KXYJZIHNVSPSSR-CYBMUJFWSA-N 322.368 2.393 10 10 DECE COc1cc(C2=NN=C3C4CCN(CC4)[C@H]23)cc(Cl)c1O 169966562 UQKHEMJRARYFGH-AWEZNQCLSA-N 305.765 2.307 10 10 DECE C[C@@H](COCc1ccccc1)Cn1ccc2c(c1=O)CNCC2 1937991174 KQGDSLRJJLCUJQ-OAHLLOKOSA-N 312.413 2.347 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H](O)C1 1961758113 VSRHYXGEFNUTAH-UONOGXRCSA-N 307.394 2.051 10 10 DECE C[C@H](NCc1c(O)cccc1Cl)C1CCS(=O)(=O)CC1 2146107817 IWCYJLXOZNQRBY-JTQLQIEISA-N 317.838 2.349 10 10 DECE CN(CCN=[N+]=[N-])C(=O)C1[C@H]2CC(NC(=O)OC(C)(C)C)C[C@H]12 1985095057 YEXRZSXWUXTENT-YECOWLKZSA-N 323.397 2.304 10 10 DECE C[C@@](CO)(NCc1cccc(Br)c1O)C(F)F 1998355166 FHONFABFMUGJNR-NSHDSACASA-N 310.138 2.260 10 10 DECE Oc1cc(Br)ccc1CN1CCCC2(CNC2)C1 2027716308 IYXKFEJKCVLUJP-UHFFFAOYSA-N 311.223 2.340 10 10 DECE CNCc1ccc(N2C[C@@H](F)[C@H](OC)C2)c(Br)c1 2029805907 AXGOXEVOHRAVAI-DGCLKSJQSA-N 317.202 2.342 10 10 DECE CN1C[C@@H]2CN(Cc3c(O)cccc3Br)C[C@H]2C1 707128669 ZNWPDTYGIJWDAW-GHMZBOCLSA-N 311.223 2.148 10 10 DECE NCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]2C3)c(Br)c1 709895278 XJVHOJSRISLQPM-IJLUTSLNSA-N 311.223 2.257 10 10 DECE CN(C)C[C@@H]1CCN(c2ccc(CO)cc2Br)C1 688535596 XASLPMUDVALPNK-LBPRGKRZSA-N 313.239 2.329 10 10 DECE CCN(CCC(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 689144017 KFSZGVAKJBJGKY-UHFFFAOYSA-N 310.341 2.373 10 10 DECE CN1CC[C@H]2CN(c3ccc(CN)cc3Br)C[C@@H]2C1 388915639 JJKVZNYDNDISHH-STQMWFEESA-N 324.266 2.296 10 10 DECE Nc1ccc(CS(=O)(=O)NC2CCC(CF)CC2)cc1 2175054127 DRHJGPWXAQQCSZ-UHFFFAOYSA-N 300.399 2.217 10 10 DECE COc1ccc(N2CC(N(C)Cc3ccccc3)C2)c(CN)c1 2211284724 FKAWNXZITMXQBV-UHFFFAOYSA-N 311.429 2.475 10 10 DECE CC(C)C1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 2095126895 HFPISBURWPQUBA-CYBMUJFWSA-N 324.222 2.493 10 10 DECE COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 2210896044 AWBXYAHWDWADGU-TZMCWYRMSA-N 322.405 2.160 10 10 DECE C[C@H](N[C@H]1CCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1O 2206000477 NYQWRAKZSLFXIG-DUFXMDAXSA-N 301.383 2.148 10 10 DECE COC[C@]1(CNCc2cnc(SC)s2)CCCCN1 2269318539 SVSVZDUIHDKJLE-CYBMUJFWSA-N 301.481 2.113 10 10 DECE Cc1ccc(CNC[C@@H]2C[C@@H]2C(=O)O)c(O)c1Br 2327581455 AMAQSSWVXOZZKJ-UWVGGRQHSA-N 314.179 2.273 10 10 DECE Cc1ccc(CN2CCN(C)[C@H]3C[C@@H]32)c(O)c1Br 2327800004 DSAAOIOGIOLAMY-RYUDHWBXSA-N 311.223 2.351 10 10 DECE CCOC(=O)[C@](N)(CSc1nccs1)[C@H]1CC1(F)F 2352303936 QACYMXMEJARHJZ-XCBNKYQSSA-N 308.375 2.151 10 10 DECE COc1ccc(=NCc2ccc(C)c(Br)c2O)[nH]n1 2352636632 MIAQMZMNBDCNPX-UHFFFAOYSA-N 324.178 2.296 10 10 DECE CN(C)c1ccc(/C=C\CN[C@@H]2CCO[C@](C)(C(=O)O)C2)cc1 1262164262 BPHSLHXXQULSID-PHJPPKDOSA-N 318.417 2.378 10 10 DECE C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(N)cc1 62183838 ZZGXCMVYNMKRGX-ZDUSSCGKSA-N 304.415 2.319 10 10 DECE CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(Cl)c1 400886872 GCBDHACPFSBRBP-QWRGUYRKSA-N 316.854 2.071 10 10 DECE COc1ccc(N2CCN(C(=O)Nc3cc(C)no3)CC2)cc1 171136969 CETCLRLUEYEKGK-UHFFFAOYSA-N 316.361 2.346 10 10 DECE CC(C)(C)OC(=O)N1CC[C@](C(=O)O)(c2ccc(O)c(O)c2)C1 1951733371 KCGZBIIXSJNPPS-MRXNPFEDSA-N 323.345 2.061 10 10 DECE Nc1c(I)ccc([C@@H]2CCCCN2)c1O 238580608 QBTPTWNXLHYRNJ-VIFPVBQESA-N 318.158 2.394 10 10 DECE CCCN(Cc1ccccc1O)C[C@@H](O)COC[C@H]1CCCO1 247706213 YXGUTPWVJSWCEU-IAGOWNOFSA-N 323.433 2.161 10 10 DECE CCOCc1nc([C@H](C)NCc2cccc(OC)c2O)no1 290972324 SOLFVJBPLJAFEX-JTQLQIEISA-N 307.350 2.171 10 10 DECE CC1(C)[C@@H](O)CCN1Cc1cccc(Br)c1O 812779644 UXUXBGLWIMCTKJ-NSHDSACASA-N 300.196 2.500 10 10 DECE COc1ccc(CNc2ncnc3c2ncn3C2CC2)c(O)c1 814260643 PZCWJWZRFRFYJT-UHFFFAOYSA-N 311.345 2.488 10 10 DECE CCC[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1 575274056 BBCIJTOUNNGCRB-CYBMUJFWSA-N 309.366 2.055 10 10 DECE O=[N+]([O-])c1cc([C@@H](C2CCC2)N2CCOCC2)cc(O)c1O 575295499 ZNPXDLNMFQIAJT-CQSZACIVSA-N 308.334 2.179 10 10 DECE COC(=O)c1conc1C(C)(C)NCc1cccc(OC)c1O 822534248 AXTRFAQRESHEKU-UHFFFAOYSA-N 320.345 2.200 10 10 DECE Cc1noc([C@H](C)NCc2ccc(N3CCOCC3)cc2)n1 729684794 WWPSBSQDRABSJV-LBPRGKRZSA-N 302.378 2.065 10 10 DECE CN(C)c1ccc(/C=C/CN[C@@H](C(=O)O)C2CCOCC2)cc1 901824088 VDGJOZQHRAQONA-REMYHPOOSA-N 318.417 2.235 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)C(F)(F)F)cc1 826019701 KEWYPKHWDYAXRL-ZDUSSCGKSA-N 317.355 2.381 10 10 DECE COc1ccc(O)c(CNCc2cnc(C(F)(F)F)nc2)c1 826840166 VSHQDQXCWRZZKV-UHFFFAOYSA-N 313.279 2.499 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@H](O)COCC2CC2)cc1 835035429 CQEGFTNFJTUCNA-WHLIDYPQSA-N 304.434 2.143 10 10 DECE CN(C)c1ccc(/C=C/CN[C@]2(C(=O)O)CCSC2)cc1 904007312 DGBJDLODOROGOC-QDLOVBKTSA-N 306.431 2.316 10 10 DECE O=C(NC1CC1)c1c(-c2cccnc2)cc(=O)n2c1CCCC2 581799686 JSUBIRLYENVTRB-UHFFFAOYSA-N 309.369 2.139 10 10 DECE CN(C)c1ccc(/C=C\CNCC2(C(N)=O)CCCC2)cc1 835043648 WZNXPLLYTHIACW-WAYWQWQTSA-N 301.434 2.401 10 10 DECE CCOc1ccc(O)c(CNCC(C)(C)[C@]2(O)CCOC2)c1 842757899 CTZGKJIDTVSTCM-KRWDZBQOSA-N 309.406 2.058 10 10 DECE CC[C@](C)(N)c1ccc(I)c(N)c1O 687758064 PCPLDNPGPPFCLX-JTQLQIEISA-N 306.147 2.163 10 10 DECE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1Cc1ccc(N)cc1 1894530751 KXAZIAFDUZUEMR-ZWNOBZJWSA-N 315.339 2.300 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cc1 855223127 BPWXKYZJQADWQS-JOYOIKCWSA-N 320.286 2.291 10 10 DECE C[C@H](N[C@@H]1CCc2nnn(C)c2C1)c1ccc(Cl)cc1O 927145524 YCNZZCAZPZZOEA-GXSJLCMTSA-N 306.797 2.382 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)NCc1ccccc1O 1898009589 GDIOZHOXNUXUDL-CHWSQXEVSA-N 320.389 2.312 10 10 DECE COC(=O)C12CC(CN1Cc1cc(Cl)cc(C(C)=O)c1O)C2 852441079 JJZWWEAXZNKCOP-UHFFFAOYSA-N 323.776 2.386 10 10 DECE COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@H]3COC[C@H]3O1)CCC2 930721804 JTGSPTVRZCHHCT-JLJPHGGASA-N 319.401 2.260 10 10 DECE CN(C)c1cc(F)c(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1F 862357270 ROTIYMCAMMKTOA-MRXNPFEDSA-N 324.371 2.211 10 10 DECE C[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1ccccc1O 867836345 PCMGCHGWVLYANJ-LBPRGKRZSA-N 320.414 2.498 10 10 DECE O=C1CC[C@H](c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)N1 881429092 QIKDLDUNLPUUKO-MRXNPFEDSA-N 322.364 2.499 10 10 DECE COCC1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 788579115 XZTLGGPSIQVVFB-FNORWQNLSA-N 320.345 2.254 10 10 DECE CCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C1 897735841 YIEKFYZLBUWDHC-JTQLQIEISA-N 320.414 2.479 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOc2c(F)cccc21 1148021769 TUQQKOXGFHEHKI-CYBMUJFWSA-N 317.316 2.419 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1cn(C)c(Br)n1 698413056 LUXINUANWRXCHP-UHFFFAOYSA-N 323.194 2.037 10 10 DECE CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1CCCCC1 1156881056 NOCOYZWSABZXHD-INIZCTEOSA-N 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319.405 2.088 10 10 DECE COc1ccc2c(c1)CCN2Cc1ccc(OCC(N)=O)cc1 725796579 AYFMSGHTSNLFGG-UHFFFAOYSA-N 312.369 2.122 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1C1CCOCC1 830226751 VTJKFASEOVOGKW-XVQPDXDWSA-N 303.358 2.042 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCn2ccnc21 836519063 MCVNYMJFTMJJSB-HNNXBMFYSA-N 313.405 2.236 10 10 DECE Cc1cc2c(=O)n(CCOc3ccc(N)cc3)cnc2s1 41582724 OMKFGYPQKZSQJK-UHFFFAOYSA-N 301.371 2.428 10 10 DECE CCc1cccc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)c1O 848914441 MVYVCQFMGYSCJH-DLBZAZTESA-N 304.434 2.250 10 10 DECE O=C1N(Cc2ccc(N3CCCC3)cc2)C(=O)C23CC(CN12)C3 849351795 MSSNJUDCKHIHMM-UHFFFAOYSA-N 311.385 2.213 10 10 DECE CCOCc1cc(CNC2(CC(=O)OC)CC2)ccc1OC 846027604 SYMVUWJESSOTPB-UHFFFAOYSA-N 307.390 2.417 10 10 DECE CCNC(=O)C[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 841300608 XEPQYPTZBVHLBL-CQSZACIVSA-N 304.394 2.181 10 10 DECE C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O 1896045892 RODWQUUONBPFCG-LNSITVRQSA-N 322.405 2.023 10 10 DECE C[C@@H](N[C@H]1CN2CCC[C@H]1C2)c1ccc(N2CCOCC2)cc1 924795276 MMWYAHCZQXEYTI-AYBZRNKSSA-N 315.461 2.268 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](O)C12CCC2 853749328 PGTPNIHLMXYVME-HOTGVXAUSA-N 317.433 2.164 10 10 DECE Nc1ccc(-n2cc(C3CCC(C4OCCO4)CC3)nn2)cc1 864620029 LKDMGIZCWMMOBH-UHFFFAOYSA-N 314.389 2.496 10 10 DECE CCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)no1 775392301 YGEXMJWTIVLWMJ-UHFFFAOYSA-N 301.346 2.146 10 10 DECE Cc1cc(Br)c(O)c(CN2CC[C@](C)(O)C2)c1 781908417 MOEHOZYCKOVAGD-ZDUSSCGKSA-N 300.196 2.420 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cc(O)ccc1[N+](=O)[O-] 788280932 BAHIMZXDNHQTQZ-UHFFFAOYSA-N 302.286 2.278 10 10 DECE Cc1cc(Br)c(O)c(CNC[C@H](O)C2CC2)c1 781630101 PEBWFJZDNXEXPD-LBPRGKRZSA-N 300.196 2.324 10 10 DECE CCN1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O 793185313 HNBVDNAUMNAFHZ-UHFFFAOYSA-N 315.339 2.393 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cncnc1-c1ccccc1 1176755553 QRIUFJROGNRKIS-UHFFFAOYSA-N 321.336 2.485 10 10 DECE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1(C)C 1329859601 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2.467 10 10 DECE CCN[C@H](c1ccccc1O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1978453376 MGDOIHDXJGKAOW-KCPJHIHWSA-N 324.421 2.317 10 10 DECE C[C@@H](O)c1ccc(N2CC(F)(CO)C2)cc1Br 2005096155 HPJFYSRAMXRYJU-MRVPVSSYSA-N 304.159 2.023 10 10 DECE NCc1ccc(N2CC(F)(F)C[C@@H]2CO)cc1Br 2041116801 RZNXAMLEGXZRKC-SNVBAGLBSA-N 321.165 2.114 10 10 DECE CC[C@H](C)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490771 LLDTXQZWPKJRAN-RYUDHWBXSA-N 300.424 2.002 10 10 DECE CCN[C@H](C)c1ccc(N(C)C[C@H](O)COC)cc1Cl 78906234 ULMDYFOYGQNZOB-YPMHNXCESA-N 300.830 2.454 10 10 DECE CN(C(=O)c1nn(C)cc1Br)c1ccc(N)cc1 693032116 APCUSZVIQVPIPW-UHFFFAOYSA-N 309.167 2.041 10 10 DECE Oc1ccc(CNCCC(F)(F)C(F)(F)F)c(O)c1O 2166638820 CIJCUJHVEBUGHU-UHFFFAOYSA-N 301.211 2.481 10 10 DECE N[C@]12C[C@@H]1CN(Cc1cc(Cl)cc(Br)c1O)C2 1236022096 CACYDTZMMQTCQP-PELKAZGASA-N 317.614 2.341 10 10 DECE CN1C[C@H]2C[C@H]1CN(Cc1c(O)cccc1Br)C2 2042491513 VLZDNRZWEHXNAZ-MNOVXSKESA-N 311.223 2.291 10 10 DECE NCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1Br 2065484228 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COc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2)c(O)c1 92676248 WJXDWGWHWZGXAF-KRWDZBQOSA-N 312.369 2.074 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 249893980 RAXYNZAYOWTWGU-ARFHVFGLSA-N 303.406 2.119 10 10 DECE COc1ccc(Br)c(CNCC2CC(O)C2)c1O 1964047208 BNNVEUDQPYVRAD-UHFFFAOYSA-N 316.195 2.024 10 10 DECE C[C@]1(C(=O)NCc2cccc(Br)c2O)CCCO1 277612305 VJDZURDFUUKFFQ-CYBMUJFWSA-N 314.179 2.340 10 10 DECE COC[C@@H](C)CC(=O)NCc1cc(Br)ccc1O 804736244 PPIIOTQNSATAEC-VIFPVBQESA-N 316.195 2.444 10 10 DECE CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)OC(C)(C)C 808529446 DXAHVJULCWMOGP-UHFFFAOYSA-N 321.329 2.349 10 10 DECE CC1(C)CN(Cc2cc(Cl)c(F)cc2O)CCS1(=O)=O 295462320 WALJTGIVKMBUMH-UHFFFAOYSA-N 321.801 2.194 10 10 DECE COC(C)(C)C(=O)NCc1cc(Br)ccc1O 804738759 CTFOXLTXTYTEEF-UHFFFAOYSA-N 302.168 2.196 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)N3CC(C)(F)C3)C2)cc1 824685105 AFRXVCDVAHBJAF-ZDUSSCGKSA-N 321.396 2.275 10 10 DECE O=S1(=O)CC[C@@H](N(Cc2cc3c(cc2O)CCC3)C2CC2)C1 835977882 OOSBJGJFMVDYSX-MRXNPFEDSA-N 321.442 2.032 10 10 DECE COCCCOC1CN(Cc2cc(Cl)cc(F)c2O)C1 839134376 NDQJTBVNMGWTHK-UHFFFAOYSA-N 303.761 2.422 10 10 DECE CN(Cc1ccccc1O)c1nnc([C@]2(C)CCCO2)n1C 834917834 OLJPYWCORLEWCR-INIZCTEOSA-N 302.378 2.183 10 10 DECE COCc1cnc(CNC[C@H](N)c2ccc(N(C)C)cc2)s1 841045116 IBNXXYGDCDJOBO-HNNXBMFYSA-N 320.462 2.145 10 10 DECE Nc1ccc(CCNC(=O)NCC2(CO)CC3(CCC3)C2)cc1 841959353 MTFTUTAORFRALC-UHFFFAOYSA-N 317.433 2.053 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 840934629 SWSYBEMXWSOTML-YSVLISHTSA-N 301.434 2.160 10 10 DECE CCc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O 848913913 BCRZCRNWPOZYDY-CABCVRRESA-N 309.431 2.106 10 10 DECE COC(=O)c1ccc(CN2CCCc3cc(CN)ccc32)o1 843057297 ALEVRXOQRYOPOC-UHFFFAOYSA-N 300.358 2.478 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccnn1C1CCOCC1 928712756 UMRODHADGRWKCG-UHFFFAOYSA-N 319.336 2.009 10 10 DECE CN1CCCc2cc(CNC(=O)C3(N)CC4(CCC4)C3)ccc21 852864181 YNYFXOZLILESGE-UHFFFAOYSA-N 313.445 2.347 10 10 DECE CCCNC(=O)CN(CCC)Cc1cc(C)cc(OC)c1O 754726905 APWNYNWJPCYRSO-UHFFFAOYSA-N 308.422 2.447 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCSC3)C2)cc1 855233606 IZJYABPAVHXUIS-QWHCGFSZSA-N 306.431 2.143 10 10 DECE CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCCOC2)cc1 858663749 AYZRGCWEJFNGTE-HNNXBMFYSA-N 305.422 2.369 10 10 DECE CCC(C)(C)CCS(=O)(=O)NCc1ccc(O)cc1O 867417216 OHAXEOADCCUOKR-UHFFFAOYSA-N 301.408 2.344 10 10 DECE Fc1cc(-c2nc(Cn3cncn3)no2)ccc1-n1cccc1 763353267 ZJCLBFKLVHPQPZ-UHFFFAOYSA-N 310.292 2.306 10 10 DECE Cc1c(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)n(C)c2ccccc12 956955986 ZBZATZDKLVUSDH-ZIAGYGMSSA-N 315.417 2.447 10 10 DECE Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(Cl)n1 782995432 SXYVASHLKJOOTG-UHFFFAOYSA-N 321.716 2.494 10 10 DECE COCCCNC[C@@H]1CCN(c2ccc(OC)cc2OC)C1 76375890 NOLQWTACFOHHQL-AWEZNQCLSA-N 308.422 2.156 10 10 DECE COc1ccc2c(c1)NC1(CCNCC1)CN2[C@H](C)C(C)=O 76934501 IPQHGDHDKIDQOS-GFCCVEGCSA-N 303.406 2.027 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cnn(CCF)c1 1299724145 CDXXGXBYPXPTEM-UHFFFAOYSA-N 314.320 2.036 10 10 DECE C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1O 1454805531 KVJKIBGBSUHOQS-GFCCVEGCSA-N 308.341 2.464 10 10 DECE COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CCCO2)cc1C 1495613192 RJSXPVHKINEMES-DYVFJYSZSA-N 320.433 2.025 10 10 DECE COC1CCN(c2ccc(CN3CC[C@H](O)[C@@H]3C)cc2)CC1 1643110030 JKVJJDBWSWYFEA-KSSFIOAISA-N 304.434 2.257 10 10 DECE CC[C@H]1SC(=S)N(CCC(=O)NC2CCCCC2)C1=O 11635821 CMYDIXZCHUGTPT-LLVKDONJSA-N 314.476 2.464 10 10 DECE COc1ccccc1-n1c(C)cc(C(=O)NC[C@H](C)O)c1C 1874029486 AXLLTFVCSXIWCU-LBPRGKRZSA-N 302.374 2.213 10 10 DECE CC(C)N(C(=O)c1nnn(-c2ccc(N)cc2)n1)c1ccccc1 1857878481 DEJWPTNUYVKXIG-UHFFFAOYSA-N 322.372 2.300 10 10 DECE CO[C@@H]1CN(c2ccc(CO)cc2Br)C[C@H]1F 1942648167 PXPFUHOPPHUXHY-ZYHUDNBSSA-N 304.159 2.115 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1nc(Br)cs1 1950122396 XXHIHUVMCLENGY-ZCFIWIBFSA-N 320.172 2.321 10 10 DECE Oc1ccc(Br)cc1CNC1CC(n2cncn2)C1 1971348361 IJZZCDYWYKSNKL-UHFFFAOYSA-N 323.194 2.240 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1O 1994851638 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O=C(NCc1cc(Cl)ccc1O)[C@@H](O)Cc1ccccc1 1300396415 RRGJWMNCTFGGAP-HNNXBMFYSA-N 305.761 2.265 10 10 DECE Cc1cc(CC(=O)N(C)S(C)(=O)=O)c(C)n1-c1ccccc1 1327605319 XUXJQRITFVBXSL-UHFFFAOYSA-N 320.414 2.055 10 10 DECE CCOc1cc(CNC2CC2)ccc1N1CCN(CC)CC1 211877574 JTEALTHUBYYMER-UHFFFAOYSA-N 303.450 2.479 10 10 DECE CCOc1ncc(C(=O)NCc2ccc(O)cc2O)cc1Cl 1299572938 HFQBJVMIBWDLFZ-UHFFFAOYSA-N 322.748 2.475 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)C1=C[S@@](=O)CCC1 1543310344 UYFDFQVJSYGMDC-NRFANRHFSA-N 306.431 2.104 10 10 DECE C[C@H](NC(=O)c1cc(O)cs1)C(=O)OCc1ccccc1 1628066473 VVIWSIJTLJJFKR-JTQLQIEISA-N 305.355 2.315 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCCN(C2CCCC2)CC1 1629795027 RIGJLNQXNTZOFE-UHFFFAOYSA-N 318.417 2.117 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 227684893 NBLNMTYDHVPAFL-NSHDSACASA-N 310.394 2.404 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@](C)(O)c2ccc(F)cc2)c1 1629741168 ZLZCMIDMTPJCFC-QGZVFWFLSA-N 303.333 2.364 10 10 DECE O=C(NCc1c(O)cccc1O)[C@H]1CCN(c2ccccc2)C1 1639292645 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2.385 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CCOC[C@H]1F 2013761642 GVUAZALLFYOQGO-MNOVXSKESA-N 304.159 2.371 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c(Br)c1 311661092 WXVVLYBSSKJWDI-VOAKKNSGSA-N 323.234 2.113 10 10 DECE C[C@@H]1CN(c2ccc(C=CC(=O)O)c(Cl)c2)CC[S@]1=O 2171961987 DNZFOPFVZXTMRP-CFMSYZGJSA-N 313.806 2.395 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC(F)F 695125695 JUTIYEOFXGLXAK-UHFFFAOYSA-N 306.378 2.169 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2nccc(C3CC3)n2)c1 2064949115 IMYABMKXBBLJEX-UHFFFAOYSA-N 314.345 2.390 10 10 DECE CN[C@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2179926734 PKNNQIHARPXUTI-ZYHUDNBSSA-N 316.854 2.244 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](F)[C@H](CO)C2)c(Br)c1 2056994542 OGBSGZLPULZYBN-UBHAPETDSA-N 318.186 2.269 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)[C@@H]1C(=O)O 2081118020 IUNFZEYBMRXJMT-LDWIPMOCSA-N 318.142 2.199 10 10 DECE C[C@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1O 2206000479 NYQWRAKZSLFXIG-WFBYXXMGSA-N 301.383 2.148 10 10 DECE CO[C@@]1(CSc2ncc(CNC3CC3)s2)CCOC1 2269940645 QTFORZQJWSWKCC-ZDUSSCGKSA-N 300.449 2.293 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cnc(Br)cn1 2221597280 TZZKEEDDGJXWQW-NKWVEPMBSA-N 311.143 2.200 10 10 DECE CCN=c1ccc(C(=O)NCc2cnc(SC)s2)c[nH]1 2284503321 AZXODJJZVMUYGD-UHFFFAOYSA-N 308.432 2.044 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2cncc(O)c2)c1 2308033666 CVPSJLMGXFTIOP-NSHDSACASA-N 314.341 2.392 10 10 DECE C[C@H](N)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319439730 USZSEDWNHPDEOX-DJLDLDEBSA-N 306.478 2.221 10 10 DECE CCCN(CCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1267320834 XYLDNHLRBOIXGR-UHFFFAOYSA-N 323.372 2.260 10 10 DECE CC(C)/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 194315811 JMGNGJGPDWVHCV-ZZXKWVIFSA-N 306.381 2.491 10 10 DECE CCC[C@@H](N)c1ccc(I)c(N)c1O 238236073 JKNUOVBYDUIPLZ-MRVPVSSYSA-N 306.147 2.379 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1c(O)cccc1O 1952218683 JZFHDWXUXWAOOU-LLVKDONJSA-N 308.378 2.369 10 10 DECE COc1cc(N2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC 275969988 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DECE CN[C@H](c1ccccc1O)[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 1899590605 OCFQDNXBGIZGHG-BYCMXARLSA-N 324.421 2.317 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](F)C3)C2)cc1 852449786 WDYMQWXJCFAXFA-QWHCGFSZSA-N 307.369 2.027 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CC3(CCC3)CO2)c1O 895790327 IWUWMBAAHHKNOY-LBPRGKRZSA-N 322.361 2.358 10 10 DECE COc1ccc(CCC(=O)N(C)Cc2ccccc2O)cn1 895755301 GYHRGBRMWGTZJB-UHFFFAOYSA-N 300.358 2.387 10 10 DECE CN1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 895834888 TZFKZDSOJGIAFG-SNVBAGLBSA-N 306.387 2.137 10 10 DECE CN(C)[C@H](C(=O)NCc1c(O)cccc1O)c1ccccc1 1456238345 YZQGEVMYTFIBBH-INIZCTEOSA-N 300.358 2.017 10 10 DECE CC(C)(C)OC(=O)N1CCNC[C@H]1c1cc([N+](=O)[O-])ccc1O 1535931160 MNQHMYPTOFQMHQ-LBPRGKRZSA-N 323.349 2.182 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2[nH]ccc2c1 1556320584 QWOQPFVNKLNWMP-UHFFFAOYSA-N 310.353 2.481 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)SC)cc1C 1491397505 BAYTXLPVPASCQC-STQMWFEESA-N 310.463 2.349 10 10 DECE 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2.454 10 10 DECE Cc1ccc([N+](=O)[O-])cc1-n1nnnc1Cc1ccc(N)cc1 1857926967 LXBYFJPBAHTPFF-UHFFFAOYSA-N 310.317 2.052 10 10 DECE CO[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1F 1942642244 UIMVJGBPMYHAIH-NWDGAFQWSA-N 303.175 2.081 10 10 DECE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1985093995 IICCKOZKGFJESH-LSDHHAIUSA-N 321.381 2.155 10 10 DECE O=S1(=O)CCC[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]21 2146315600 DRHSARNDHJVKOW-SMDDNHRTSA-N 315.822 2.055 10 10 DECE C[C@H](C1CNC1)N(C)Cc1cc(Br)cc(F)c1O 2036984837 NEFNLTUBVBYQPI-MRVPVSSYSA-N 317.202 2.334 10 10 DECE [N-]=[N+]=NCCCNS(=O)(=O)CCCOCc1ccccc1 309875889 VRVQUKGMPZPWDA-UHFFFAOYSA-N 312.395 2.213 10 10 DECE CCN([C@@H](C)c1ccc(F)cc1O)[C@H](C)CS(C)(=O)=O 2170425901 VQVAVBBIJRGJEH-MNOVXSKESA-N 303.399 2.347 10 10 DECE Cc1nc(CNCc2cc(Br)cc(F)c2O)no1 715811640 HNGSMHJCFQKDEL-UHFFFAOYSA-N 316.130 2.275 10 10 DECE C[C@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CC[S@@]1=O 2171969124 NQZMQLOHFNXPLW-LXGOIASLSA-N 306.353 2.121 10 10 DECE CNCc1ccc(N2CC[C@H](CO)[C@@H]2C)cc1Br 385646558 KOVBMNDURMYDGO-CMPLNLGQSA-N 313.239 2.376 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2n1 2062144530 OCQIZZUKCXQORO-WCQYABFASA-N 300.362 2.148 10 10 DECE CC1CCC(OCC(=O)NCc2c(O)cc(O)cc2O)CC1 2062485736 WMGFZEHFKHSZSM-UHFFFAOYSA-N 309.362 2.015 10 10 DECE CP1(=O)CCN(CCNCc2cccc(Cl)c2O)CC1 2199616322 WLWSRUWZCGLLIX-UHFFFAOYSA-N 316.769 2.444 10 10 DECE CSc1ncc(CNC[C@@H]2CNC[C@@H]2C(F)(F)F)s1 2269315691 VYVOQGJQMDZCAU-APPZFPTMSA-N 311.398 2.353 10 10 DECE CSc1ncc(CNC(=O)C2CC3(CCCNC3)C2)s1 2284508620 ROYJAAJVGMUYHI-UHFFFAOYSA-N 311.476 2.261 10 10 DECE C[C@H]1CCCN(C[C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)C1 2307996741 PXSHLORMOZNSBM-UONOGXRCSA-N 318.417 2.348 10 10 DECE Cc1nn(C)cc1[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2308000654 HNFGSUPIRICTNY-SNVBAGLBSA-N 301.346 2.030 10 10 DECE C[C@H](O)c1cnc(S[C@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319421125 RDGJCEZNURXKDB-XHNCKOQMSA-N 307.462 2.254 10 10 DECE Cc1ccc(CN(C)[C@H]2[C@@H]3CNC[C@@H]32)c(O)c1Br 2327619412 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C[C@H]1CN(c2ccc(CNC[C@@H](O)C3CC3)cc2F)C[C@@H](C)O1 818966013 GYZRKCTYXIRIGZ-FHSNZYRGSA-N 322.424 2.300 10 10 DECE CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2COC3(C)C)cc1F 824669325 ISPXTOZITLOUFE-SJCJKPOMSA-N 306.381 2.323 10 10 DECE CCN(CC)c1ccc(CN2C(=O)N[C@H](CSC)C2=O)cc1 904148366 OTWPBDXFQDLRPU-CQSZACIVSA-N 321.446 2.316 10 10 DECE COC[C@](C)(O)CCNC1CCN(c2ccc(OC)cc2)CC1 824559716 YFGUXHMMLQLNFE-GOSISDBHSA-N 322.449 2.041 10 10 DECE Cc1noc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)C)n1 588406503 JCZZRONKMLAKQX-ZQMJAJRESA-N 317.345 2.316 10 10 DECE CC[C@H](NC[C@H]1CCCCN1CCO)c1ccc(F)cc1O 834849860 GWCFNSPJUISQBB-ZBFHGGJFSA-N 310.413 2.419 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](CO)C1 840299965 BAPBILYXEDKGQC-ZBFHGGJFSA-N 319.449 2.411 10 10 DECE CN(C)CC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 841864605 WHCJFAPOLQVBAA-UHFFFAOYSA-N 318.465 2.231 10 10 DECE C[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(Cl)cc1O 927145525 YCNZZCAZPZZOEA-KOLCDFICSA-N 306.797 2.382 10 10 DECE CN(C)c1cc(F)c(CNCc2nc(C3CC3)n[nH]2)cc1F 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Oc1cc(Br)ccc1CN1CCCn2nncc2C1 895756347 HCOVLKSOWGNVCS-UHFFFAOYSA-N 323.194 2.152 10 10 DECE C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1cncnc1 798172221 NTALBZFFJSEWNX-GFCCVEGCSA-N 311.385 2.481 10 10 DECE O=Cc1ccc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)cc1 1150487211 AJFCFNRAMPDWJC-SOFGYWHQSA-N 311.337 2.282 10 10 DECE C[C@@H](NC(=O)N1CC[C@]12CCOC2)c1ccc(N(C)C)cc1 1325814407 LSKYJNUZZYWHQN-CXAGYDPISA-N 303.406 2.388 10 10 DECE CCCN[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1282242723 SQSBNVFGVWMWMW-WDEREUQCSA-N 305.382 2.355 10 10 DECE CC[C@@H](N)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O 1915378237 MTUADTJGNVCYDG-CQSZACIVSA-N 314.385 2.478 10 10 DECE O=C(Cc1nc(C2CC2)cs1)NCc1ccc(O)c(O)c1 1566359149 VBTUVGPDCATCHZ-UHFFFAOYSA-N 304.371 2.291 10 10 DECE C[C@@H](Sc1ccccn1)C(=O)NCc1cc(O)ccc1O 1644753827 KXIMBAYUNOXUFD-SNVBAGLBSA-N 304.371 2.290 10 10 DECE Cc1cc(C)n2ccc(C(=O)NCc3ccc(O)cc3O)c2n1 1570462970 CLTBZPAHMOOVSA-UHFFFAOYSA-N 311.341 2.292 10 10 DECE Cc1cc(=O)[nH]c(NNC(=S)Nc2cccc(C)c2C)n1 18157143 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O=C([C@@H]1CCCN1Cc1ccccn1)N1Cc2cccc(O)c2C1 871202491 JKUMYQOTRIYHDW-KRWDZBQOSA-N 323.396 2.294 10 10 DECE CO[C@H]1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 899151836 ICNXQLLMBQGHNJ-WAAGHKOSSA-N 307.371 2.467 10 10 DECE Cc1ccc(O)c(CNCCN2C[C@@H]3CCCCN3C2=O)c1 895341195 FUYSPLDLWLVNQD-HNNXBMFYSA-N 303.406 2.080 10 10 DECE COc1ccc(N2CCN(C(=O)N3CC[C@@H](C)C3)CC2)cc1 799995865 AHOJVNPTYFGNCP-CQSZACIVSA-N 303.406 2.279 10 10 DECE C[C@]12COC[C@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 898785200 XNPMSPMVYHBERT-HWPZZCPQSA-N 319.382 2.421 10 10 DECE CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)NC)cc1Cl 688449658 CKYBTCLFKPGAJS-LLVKDONJSA-N 318.870 2.491 10 10 DECE NCc1ccc(N2CC[C@H](N3CCC3)C2)c(Br)c1 702295263 QZIIOWQABXQFDN-LBPRGKRZSA-N 310.239 2.192 10 10 DECE CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC=CO3)CC2)cc1 1137658816 XHOSTHDTCZUVSN-KRWDZBQOSA-N 316.401 2.427 10 10 DECE CCOC(=O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1142999166 VFKGOGPGGIQXTL-UHFFFAOYSA-N 320.349 2.263 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2nc3n(n2)CCCC3)cc1 1142161413 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302.418 2.431 10 10 DECE Cn1cnc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)c1 1437287581 MLPIPXUQQCYPRR-IHWYPQMZSA-N 305.284 2.137 10 10 DECE CN(c1ccc(CN)c(Br)c1F)C1CC(O)C1 1914591139 XLWVLCLXLDUBCD-UHFFFAOYSA-N 303.175 2.006 10 10 DECE Cc1ccc(C(=O)Nc2ccc(-n3cnnc3)cc2)c(O)c1O 1625077266 UNIXNPKKBLCTBN-UHFFFAOYSA-N 310.313 2.239 10 10 DECE O=C(COc1ccc(CO)cc1)NCc1cccc(Cl)c1O 1558757739 QLWUFWLHEIKWJS-UHFFFAOYSA-N 321.760 2.233 10 10 DECE O=C(NCc1c(O)cccc1O)c1cncc(Br)c1 1639289478 RCDDLRMKODDWNF-UHFFFAOYSA-N 323.146 2.185 10 10 DECE O=C(NCc1cccc(O)c1O)c1cn(-c2ccccc2)cn1 1643812963 UAIIMRNCWVQKDI-UHFFFAOYSA-N 309.325 2.214 10 10 DECE CSC1CCC(NS(=O)(=O)Cc2ccc(N)cc2)CC1 235326847 PWIFUAMPJFWOJC-UHFFFAOYSA-N 314.476 2.362 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc[nH]1 1641971682 BEOOBDNTTFWNFG-UHFFFAOYSA-N 304.313 2.372 10 10 DECE C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC2(CCC2)C1 1652141044 SGNXTNOJDHNGMY-KRWDZBQOSA-N 319.401 2.496 10 10 DECE C[C@@H](CN(C)Cc1cc(N)ccc1O)NC(=O)OC(C)(C)C 1959521212 SZLBVPLVKRWFTD-NSHDSACASA-N 309.410 2.319 10 10 DECE C[C@@H](NC(=O)C(Cl)=C(Cl)C(=O)O)c1ccccc1O 2139058691 JTWAVDXOVQVYEC-ZCFIWIBFSA-N 304.129 2.343 10 10 DECE O=C(/C=C\c1cnccn1)NCc1ccc(N2CCCC2)cc1 1772822976 IUEICPPQEMRWNT-YVMONPNESA-N 308.385 2.406 10 10 DECE CNCc1ccc(N2CCN(C3CC3)CC2)cc1Br 234428643 CYMAYUBQMYMUQR-UHFFFAOYSA-N 324.266 2.453 10 10 DECE C[C@H](NCc1c(O)cccc1Br)[C@H]1COCCO1 1967898092 PZWSFBPRYXJOMN-TVQRCGJNSA-N 316.195 2.048 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985102379 GGFQSSFUCUFZSZ-FIXISWKDSA-N 321.381 2.201 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(N)cc2)[C@H]2COC[C@@H]21 1992466087 XTVZRKLLAXNFGX-KKUMJFAQSA-N 320.389 2.282 10 10 DECE C[C@@H](c1ccccc1O)N(C)CCC[C@H](C)S(=O)(=O)O 2155499074 WYQUJBHIAWMNLQ-RYUDHWBXSA-N 301.408 2.442 10 10 DECE CN(c1cc(Br)c(CN)cc1F)C1(C)COC1 2026727579 CRIOLHDKKOKACE-UHFFFAOYSA-N 303.175 2.272 10 10 DECE CON(C)C1CN(c2ccc([C@H](C)O)c(Br)c2)C1 2028062345 RHYYGZSOAZVGLE-VIFPVBQESA-N 315.211 2.184 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@H](C)CC(N)=O)c(Br)c1 2033933507 LOKGGLBEFDOITH-RKDXNWHRSA-N 314.227 2.169 10 10 DECE CC(C)[C@](C)(NCc1cccc(Br)c1O)C(N)=O 310899367 BGMRDILRIPXMFK-ZDUSSCGKSA-N 315.211 2.144 10 10 DECE C[C@H]1C[S@@](=O)CCN1c1ccc(C=CC(=O)O)cc1Cl 2171967433 ZYCXLWDTFHIZFP-FVINQWEUSA-N 313.806 2.395 10 10 DECE C[C@H]1CN[C@H](C)CN1Cc1cc(Br)cc(F)c1O 715764807 BHOSIVMXKNEWRQ-BDAKNGLRSA-N 317.202 2.476 10 10 DECE CO[C@@H]1CCOC[C@@H]1NCc1cc(Br)ccc1O 724877881 LMLJOQBRJCBDHH-WCQYABFASA-N 316.195 2.048 10 10 DECE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2174354012 DBFPXYPNJXYQQQ-BDAKNGLRSA-N 308.354 2.288 10 10 DECE CCc1nn([C@@H](c2ccc(C)cc2O)C2CC2)c(N)c1CN 2079136613 CHAGZRWRJMRIAT-MRXNPFEDSA-N 300.406 2.500 10 10 DECE CNCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]32)c(Br)c1 2057979993 WQOQWPNHXSYCBW-BPNCWPANSA-N 311.223 2.128 10 10 DECE Nc1ccc(CS(=O)(=O)Nc2cc(N)ccc2Cl)cc1 2191704951 YQZPRVLANPPKIC-UHFFFAOYSA-N 311.794 2.446 10 10 DECE CCCNCc1ccc(N2CC([S@](C)=O)C2)cc1Cl 2115303186 KRUBLFGTMQEMFL-IBGZPJMESA-N 300.855 2.407 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H](F)C2)c(Br)c1 2219165866 NVXWXOZDCADNEF-LSJOCFKGSA-N 317.202 2.378 10 10 DECE COc1cc(OC)c(N2CCSC[C@H]2CO)cc1Cl 2270421558 NBIJDFSZNJGPEN-SECBINFHSA-N 303.811 2.271 10 10 DECE CN1CCN(c2ccc(N=NN3CCC(=O)CC3)cc2)CC1 2330217237 IDTVDXBOEFDDHU-UHFFFAOYSA-N 301.394 2.102 10 10 DECE Cc1ccc(CNc2cnc(N)cn2)c(O)c1Br 2327791080 ACJOUXATZAZYPA-UHFFFAOYSA-N 309.167 2.447 10 10 DECE C[S@](=O)CCCNCc1cc(OC(F)(F)F)ccc1O 2361044566 AFRMSSMKHDDQJF-FQEVSTJZSA-N 311.325 2.149 10 10 DECE COC(C)(C)[C@@H](N)c1cc(I)ccc1O 1951855881 ODEOBPLYIVQKKU-JTQLQIEISA-N 321.158 2.422 10 10 DECE C[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccc(N2CCC(O)CC2)cc1 189329918 CQLPQPVTJVBSNX-KHYOSLBOSA-N 318.461 2.459 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cc(OC)ccc1O)CC2 185995292 LNLPIHCTHABEQM-NWDGAFQWSA-N 316.405 2.220 10 10 DECE C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CCN1C 93644241 ZNHWGWAXYWPIJE-APWZRJJASA-N 317.477 2.438 10 10 DECE CCOc1cccc(CN2CCS[C@@H]3COCC[C@H]32)c1O 246830718 RQBYOMYYADUSMV-UKRRQHHQSA-N 309.431 2.497 10 10 DECE C[C@@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 277382400 GJUIWHGVWXTAEG-CJNGLKHVSA-N 305.422 2.319 10 10 DECE C[C@H](NCc1ccc(N2CCOCC2)cc1)c1csnn1 398356678 DIDBPWVHZOIXKF-LBPRGKRZSA-N 304.419 2.226 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C)C1=O 295978781 KVNCOLRDVVBKFZ-OAHLLOKOSA-N 318.417 2.389 10 10 DECE C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccnn1C 817430483 HFFDBRZHKAMAHN-ZDUSSCGKSA-N 312.417 2.222 10 10 DECE C[C@@H]1CN(CCO)CCN1Cc1cc(Cl)cc(Cl)c1O 825337444 GRNYECKLZXPZKF-SNVBAGLBSA-N 319.232 2.197 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NOCC3CCC3)C2)cc1 824117942 QRKDMKISKGWXPZ-CQSZACIVSA-N 319.405 2.305 10 10 DECE C[C@@H](NCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1 828670031 WXAANDSWUHIJJT-CQSZACIVSA-N 300.406 2.108 10 10 DECE C[C@@H]1CNC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 903963603 BYQVARPSYRTCPN-QMTHXVAHSA-N 301.356 2.469 10 10 DECE COc1ccc(O)c(CN2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)c1 844913064 YFPHRALUAHFWJF-YXJHDRRASA-N 320.433 2.262 10 10 DECE C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1C 840722742 KRABWVDRACTWDO-JKIFEVAISA-N 322.474 2.056 10 10 DECE COC[C@H]1C(=O)N[C@H](c2cc(-c3ccccc3)ccc2O)N1C 840830300 CEMPFONKMACBJO-RDJZCZTQSA-N 312.369 2.134 10 10 DECE COc1ccc(O)c(CNC(=O)C2(C(=O)OC(C)(C)C)CC2)c1 845832672 FTLXRRJNQUEDSW-UHFFFAOYSA-N 321.373 2.139 10 10 DECE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccccc1O 743657261 PENQDKVNSOXKHP-LLVKDONJSA-N 316.405 2.173 10 10 DECE COc1cc(CN[C@@H](C)Cn2cncn2)c(O)c(C(C)(C)C)c1 850094330 SWRKJGFZJMNTLV-LBPRGKRZSA-N 318.421 2.468 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)COC3(C)CCC3)C2)cc1 855234049 RCFGCDAQVWLQRL-CQSZACIVSA-N 318.417 2.349 10 10 DECE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 925113524 JMXBDQFJCITOHN-UQOMUDLDSA-N 314.385 2.449 10 10 DECE CCOCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233104 WTAOHVIUPHOCPR-CQSZACIVSA-N 306.406 2.207 10 10 DECE CCN(CC)c1ccc(CN(C)[C@H]2CCN(OC)C2=O)cc1 929185176 PBDQGGLSPZJGAZ-INIZCTEOSA-N 305.422 2.127 10 10 DECE COc1ccc(N2CCN(CCOC3CCOCC3)CC2)cc1 859054661 BOTUSEFSUCHXCS-UHFFFAOYSA-N 320.433 2.013 10 10 DECE CC[C@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1O 927147575 SVCKAWVTDKZTKF-JSGCOSHPSA-N 300.406 2.427 10 10 DECE C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C 765978056 CCUGAMAFMZMBHX-CQSZACIVSA-N 324.490 2.446 10 10 DECE CCN(C)c1ccc(CN(C)CC(C)(C)S(C)(=O)=O)cc1 773826864 ZYTNJJFYPZJUHB-UHFFFAOYSA-N 312.479 2.398 10 10 DECE O=C1NC(C(=O)O)=C(c2cccs2)[C@@H](c2ccccc2O)N1 76254985 GOAMIBTWGYVPOS-GFCCVEGCSA-N 316.338 2.304 10 10 DECE CCN(CC)CCNC(=O)c1cc2cc(O)c(O)cc2s1 895582927 UOFHPXHMLICVAO-UHFFFAOYSA-N 308.403 2.384 10 10 DECE CCNCc1ccc(N2CCS[C@@H](CO)C2)cc1Cl 719991573 FKPATWURHWSTEJ-CYBMUJFWSA-N 300.855 2.364 10 10 DECE CCN(c1ccc(CO)cc1Br)[C@@H]1CCN(C)C1 693448000 WFWHUWKCECTMAP-GFCCVEGCSA-N 313.239 2.472 10 10 DECE C[C@](O)(C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1 1153798246 NHWHQQAAURNDBH-MRXNPFEDSA-N 321.760 2.275 10 10 DECE COc1ccccc1OCCC(=O)NCc1cc(O)ccc1O 1303223340 LFLGLFUXPKJKHW-UHFFFAOYSA-N 317.341 2.192 10 10 DECE COc1ccc(CNC[C@@H](NC(=O)C(F)F)C2CC2)cc1C 1276528031 DBQNCVSQTAIRSL-CYBMUJFWSA-N 312.360 2.253 10 10 DECE COc1ccc(CNCc2ccc(Br)cc2O)nn1 1913542128 PIPBEAFWTGLVGH-UHFFFAOYSA-N 324.178 2.243 10 10 DECE CC(C)(C)OCc1cc(C(=O)NCc2ccc(O)cc2O)no1 1469163261 REOCRKLHLWLLFU-UHFFFAOYSA-N 320.345 2.331 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cncnc1-c1ccccc1 1469159820 ODZQEJGDIDFQFE-UHFFFAOYSA-N 321.336 2.485 10 10 DECE CN1CCNC[C@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1535928632 QJWAVMXXDAZMCP-ZDUSSCGKSA-N 307.394 2.315 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)Nc1nncn1-c1ccccc1 1469309531 ANORIAROJSJPNQ-CLFYSBASSA-N 322.324 2.330 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H](N(C)C)C2)cc1 1463721086 CIIFRZGWFHVNHV-RDJZCZTQSA-N 303.450 2.489 10 10 DECE Cc1ccsc1[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1466339599 DUACQIGKDUNNFT-PYEVWLCESA-N 319.382 2.331 10 10 DECE CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 1542430178 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C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2219165917 OSTNJHRLRPKBDF-QXEWZRGKSA-N 318.186 2.412 10 10 DECE CN(C)c1ccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 2296752753 ZSBQIKGHBSJVEE-UHFFFAOYSA-N 315.373 2.013 10 10 DECE O=C1NC(=S)NC(=O)C1=CC=CC=C1C=Cc2ccccc2N1 2297532309 FPILZTINLSWJBP-UHFFFAOYSA-N 323.377 2.023 10 10 DECE O=C(O)[C@H]1[C@@H]2C[C@H]1N(Cc1c(O)cccc1Br)C2 2311841557 JLVWCQSMAZHGDM-XXFPWJFMSA-N 312.163 2.060 10 10 DECE O=C(O)[C@@]1(Sc2nccs2)CCCN2CCSC[C@@H]21 2351985598 HBMJYHHGKAFFJA-BXKDBHETSA-N 316.473 2.270 10 10 DECE CCCCN1C(=O)N=C(O)/C(=C/Nc2cccc(N)c2)C1=O 102496494 ONPPPTSXLQGJGW-XFXZXTDPSA-N 302.334 2.283 10 10 DECE CN(C)c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 119738324 BMIVXWTZUKQPMB-GOSISDBHSA-N 309.413 2.165 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@H]2CO)cc1Br 300496764 WNEIYDIXBZSNSJ-IINYFYTJSA-N 313.239 2.376 10 10 DECE Cc1n[nH]c(C)c1S(=O)(=O)N(C)[C@H](C)c1ccccc1O 37996658 ZDAYEVJFSBAIHM-LLVKDONJSA-N 309.391 2.114 10 10 DECE C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCC(O)CC2)cc1 187680973 XRXUXJORLIQNKP-KKXDTOCCSA-N 318.461 2.458 10 10 DECE CCNCc1ccc(N2CC[C@H](NC(=O)OC)C2)c(Cl)c1 228303242 SUCBRSTUNCEGGM-LBPRGKRZSA-N 311.813 2.384 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1Cc1ccc(O)c(O)c1 1952210281 FPYQMAACFXRHFG-CYBMUJFWSA-N 322.405 2.239 10 10 DECE CS(=O)(=O)c1cccc2nc(Cc3ccc(N)cc3)[nH]c12 138171761 IMFQXIDGJRFRKM-UHFFFAOYSA-N 301.371 2.139 10 10 DECE CSCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 194056825 SSUGCPFUZFEQOG-UHFFFAOYSA-N 322.474 2.265 10 10 DECE C[C@H]1COCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C 194182038 MLISLGBITREONY-BBRMVZONSA-N 302.418 2.358 10 10 DECE CC[C@H](C(=O)O)N(C)Cc1cc(Br)ccc1O 233879567 RJEHUFCERHCQQE-SNVBAGLBSA-N 302.168 2.450 10 10 DECE COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(N)cc2)cc1 243087145 IUEGCTFHKFCPJM-UHFFFAOYSA-N 320.370 2.019 10 10 DECE C[C@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 277382399 GJUIWHGVWXTAEG-BBRMVZONSA-N 305.422 2.319 10 10 DECE COc1ccc(N2CCN(C(=O)N3CC[C@@H](C)C3)CC2)cc1F 800075962 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CC(C)(C)OC(=O)NCC=CC[C@@H](N)Cc1ccc(O)c(O)c1 1952908533 DSTBLXVAXCLJJK-CYBMUJFWSA-N 322.405 2.439 10 10 DECE CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1n1cccn1 841298412 CUSJMTZXDPHDHU-RBSFLKMASA-N 315.377 2.006 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 846701939 JSPNRATVYSVNAU-AXFHLTTASA-N 307.346 2.079 10 10 DECE CC[C@@H](N[C@@H]1CCc2nnn(C)c2C1)c1ccc(N(C)C)cc1 927152853 VZPHHFMOTYZZRX-GDBMZVCRSA-N 313.449 2.479 10 10 DECE COC[C@H](N[C@H](C)c1cc(OC)ccc1O)C1CCOCC1 850494869 YNYNEDHVRUQXNL-WBMJQRKESA-N 309.406 2.493 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CN(C4CC4)C[C@H]3C)C2)cc1 850489153 RHZOPUATOTYWAP-VCBZYWHSSA-N 315.461 2.346 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CO)c(C)o1 935944924 DHSUCOXUMYOXCP-UHFFFAOYSA-N 310.346 2.202 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)ccc1=O 930906005 ZZMJECONVMCSLK-UHFFFAOYSA-N 313.401 2.114 10 10 DECE CN(C)c1ccc(CN2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)cc1 760946410 CHBMAWLCFLPLCM-KBMXLJTQSA-N 313.401 2.315 10 10 DECE CC1(C(=O)CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 863062587 SDRQGLPTDLTAIV-FNORWQNLSA-N 303.358 2.377 10 10 DECE COc1cc(Cl)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O 862551218 JZTHZLOZQUQKGY-ZDUSSCGKSA-N 324.808 2.297 10 10 DECE Cc1noc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 773268121 QSZXKAJJOFUODL-NSHDSACASA-N 317.393 2.047 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H]1[C@H]2CC[C@@]1(c1ccncc1)C2 1123978647 WSRUWVZVXPFCBQ-MOFZMDFASA-N 324.380 2.477 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC([C@@H]2CCOC2)C1 897618424 CABOCHROICYKBP-SECBINFHSA-N 319.382 2.421 10 10 DECE C[C@H](NC(=O)[C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 1138364086 SGTNQQQHNICRJW-WFASDCNBSA-N 313.405 2.099 10 10 DECE COc1cc(N(C)Cc2cnn(C)c2C)c([N+](=O)[O-])cc1OC 790295874 OXSLRURYUICDIO-UHFFFAOYSA-N 320.349 2.290 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CCN2CCC[C@H]12 700995308 UGKAWJVEMPBVNM-CHWSQXEVSA-N 311.223 2.481 10 10 DECE O=C(O)[C@H]1[C@H]2C[C@H]1N(Cc1ccc(Br)cc1O)C2 700992397 NRGVRCUVNMXBQW-XRNSZHNASA-N 312.163 2.060 10 10 DECE 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Cn1nc(C2CC2)cc1CNC(=O)NCc1c(O)cccc1F 927597944 GHUGEHKXMILDTI-UHFFFAOYSA-N 318.352 2.142 10 10 DECE Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)CCCO3)n1 922296236 BWUSFROLJUHUOZ-GOEBONIOSA-N 315.373 2.323 10 10 DECE COC1CCN(c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)cc2)CC1 852536808 ATBCNDDXFZPFMR-QFBILLFUSA-N 316.445 2.259 10 10 DECE Nc1ccc(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)cc1 851633630 OXZVURAIVBXHFZ-VXGBXAGGSA-N 318.295 2.191 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)C3CCC3)C2)cc1 855225821 MHVGILIUVSPWQG-WMLDXEAASA-N 318.417 2.205 10 10 DECE C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1 861686297 NKNYHUBCNDMBOC-GXTWGEPZSA-N 317.433 2.211 10 10 DECE CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)ccc21 931152318 POAMSMMCLHZBAO-DZXRDFMUSA-N 312.413 2.109 10 10 DECE CN1CCCc2cc(CNC(=O)C3(n4cccn4)CC3)ccc21 931151934 AKBHNJSIBQFPQO-UHFFFAOYSA-N 310.401 2.071 10 10 DECE C/C=C\C[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O 761353943 NRMYVAFJZLOELC-IYKSTZQJSA-N 301.390 2.448 10 10 DECE COCc1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)co1 775880421 PUVPWHQWSYFQFY-VIFPVBQESA-N 306.318 2.026 10 10 DECE CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N(C)C)cc1 777791992 VQFPFYNBYKEOPU-UHFFFAOYSA-N 306.406 2.348 10 10 DECE COC(=O)[C@H]1[C@H](CN(C)c2ccc(OC)c(F)c2)C1(F)F 894429268 BELOTOJIEFARPH-JOYOIKCWSA-N 303.280 2.325 10 10 DECE Oc1ccc(CN[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 398444263 KKSHYXZNFNEGRJ-DZFIZOCASA-N 310.397 2.318 10 10 DECE Cn1cc([C@@H](NC(=O)c2cccc(O)c2O)C(C)(C)C)cn1 790885254 HFMFKDQFXAMXTD-CQSZACIVSA-N 303.362 2.349 10 10 DECE CC(=O)Oc1cccc2c1C(=O)c1cccc(OC(C)=O)c1C2=O 196101232 NNTZMAJXARTEEN-UHFFFAOYSA-N 324.288 2.313 10 10 DECE COc1ccc(CNC(=O)c2nn(C)c3ccccc23)c(O)c1 1155575799 YHAZPMGJPMZQBK-UHFFFAOYSA-N 311.341 2.218 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cncc(Cl)c2)C1 2131289019 AARPMHCUHJZYSH-SECBINFHSA-N 301.759 2.198 10 10 DECE O=C(CSC[C@H]1CCCCO1)NCc1cc(O)ccc1O 1455357962 YUIMYSLGABYWLI-CYBMUJFWSA-N 311.403 2.016 10 10 DECE O=C(c1cn(-c2ccccc2)nn1)N1Cc2cccc(O)c2C1 1471355543 KHKVJNHFWNMOMF-UHFFFAOYSA-N 306.325 2.129 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]2CO3)cc1 1636304421 NNOGXZIUPZZCFD-OBJOEFQTSA-N 316.361 2.394 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc(OC(F)F)nc1 1633515671 LFONRANEADUROM-UHFFFAOYSA-N 310.256 2.024 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2nocc2C)cc1C 1732976190 HXRGKJVRSLMQGU-CYBMUJFWSA-N 317.389 2.208 10 10 DECE Cc1nnnn1-c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 1643742110 OUTGUPSAPNIJDN-LLVKDONJSA-N 323.356 2.167 10 10 DECE COc1ccc(OC)c(C(=O)NCc2cc(O)ccc2O)c1 1593868744 NZKXOYCZWDOIDP-UHFFFAOYSA-N 303.314 2.045 10 10 DECE COc1ccc(CNCCN(C)C(=O)[C@@H](OC)C(C)C)cc1C 1664165215 NEMLKRJJQGMKEJ-KRWDZBQOSA-N 322.449 2.223 10 10 DECE Oc1cc2c(cc1CN1CCC(N3CCCC3)CC1)OCO2 151676844 WBFOWZXPCNBBCD-UHFFFAOYSA-N 304.390 2.181 10 10 DECE Nc1ccc(CS(=O)(=O)NCC2(C(F)(F)F)CC2)cc1 2144264519 RBNRGKJLUSABFG-UHFFFAOYSA-N 308.325 2.031 10 10 DECE CC(C)[C@@H](O)CN(C)c1ccc(CN)cc1Br 2002364934 HRBFZSZOUYCLAK-ZDUSSCGKSA-N 301.228 2.361 10 10 DECE O=S1(=O)CCC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]21 2145074964 YLDFILXRQLOOFT-MFKMUULPSA-N 315.822 2.055 10 10 DECE CC(C)NCc1cnc(Sc2ncnc3[nH]cnc23)s1 2155335064 VKWFWLNGYFKFKP-UHFFFAOYSA-N 306.420 2.459 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1Br 2033983970 PVPTUHJQIGBTRC-COPCRZHJSA-N 312.207 2.319 10 10 DECE OCc1ccc(N2CC3(CC3)C[C@H]2CO)c(Br)c1 2037828536 WUVCGRFUISDQLW-NSHDSACASA-N 312.207 2.293 10 10 DECE Oc1c(F)cc(Br)cc1CN1[C@H]2CC[C@@H]1CNC2 723865245 BYVYLNCVAIEHMG-PHIMTYICSA-N 315.186 2.230 10 10 DECE C[C@H](O)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)c(Br)c1 2067430198 DZFLHJDGWAXIFD-DLOVCJGASA-N 311.223 2.395 10 10 DECE CN1CCc2cc([C@@H](N)c3cc(Br)n(C)n3)ccc21 2106798570 MEHAAPGEOIQWBG-CQSZACIVSA-N 321.222 2.223 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N(C)C[C@@H]1CCS(=O)(=O)C1 2203360530 HZJZZGCFNBCKBM-QWRGUYRKSA-N 317.838 2.473 10 10 DECE CC[C@@H](C)N1C(=O)C(=CNc2ccc(F)cc2)C(=O)NC1=S 2296167087 SIHMCNQLGUFWBM-SECBINFHSA-N 321.377 2.163 10 10 DECE CSc1ncc(CNC(=O)N2CCCC[C@@H]2C(=O)O)s1 2284537206 JWRZCPAMUVBBPP-SECBINFHSA-N 315.420 2.014 10 10 DECE Cc1ccc(CN2CC([S@](C)=O)C2)c(O)c1Br 2307470682 PNIYQLHYLAXWAA-KRWDZBQOSA-N 318.236 2.026 10 10 DECE O=C(O)CN1C(=O)C(=Cc2cc(F)ccc2F)SC1=S 2326970066 FYPCSRYWMLVXRX-UHFFFAOYSA-N 315.322 2.251 10 10 DECE CS(=O)(=O)Nc1cccc(NCc2ccc(O)c(O)c2)c1 21028391 XCPUMQLNQYDIMB-UHFFFAOYSA-N 308.359 2.081 10 10 DECE C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)CCOc1ccc(N)cc1 70490515 ZKHWRNXEDZOUGC-CHWSQXEVSA-N 312.435 2.240 10 10 DECE COC(=O)[C@@]1(C)CCCN1Cc1cc(F)cc(C(C)=O)c1O 186396831 QOZYAJAMKQBKQL-MRXNPFEDSA-N 309.337 2.261 10 10 DECE COc1ccc(NC(=O)Nc2cc(O)c(O)c(O)c2)cc1OC 217278606 DGSMGEXAPILJDH-UHFFFAOYSA-N 320.301 2.465 10 10 DECE CC(C)(C)OC(=O)N[C@@]1(c2ccc([N+](=O)[O-])cc2O)CCNC1 1952190605 ITOUDUNNBJVDBK-HNNXBMFYSA-N 323.349 2.014 10 10 DECE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 130974878 OKWIJOKHRYWRHQ-VIFPVBQESA-N 323.374 2.258 10 10 DECE O=C(CN1C(=O)CSC1=S)Nc1ccc(F)c(Cl)c1 82325113 ADSWSXVHOQXQRH-UHFFFAOYSA-N 318.782 2.278 10 10 DECE Cc1ccccc1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 88718060 CWMHXUGTABPEBE-UHFFFAOYSA-N 308.315 2.410 10 10 DECE COc1cc(Cl)cc(CN(C)CC(=O)NCC(C)C)c1O 229121262 BIKLOWCNSGHBLZ-UHFFFAOYSA-N 314.813 2.258 10 10 DECE CC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 244183103 VKGUUFVHYUVYEY-UHFFFAOYSA-N 300.314 2.237 10 10 DECE COc1ccc(O)c(CNC[C@@H](n2cccn2)C(F)(F)F)c1 529637741 WVSSLKUYONPNIY-CYBMUJFWSA-N 315.295 2.491 10 10 DECE OC[C@@H]1CC[C@@H]1NCc1cc(Br)cc(F)c1O 2213309819 JJRRUNCFCXIFGE-CPCISQLKSA-N 304.159 2.154 10 10 DECE COc1cc(O)c(CNC[C@H]2CCN2C(C)(C)C)cc1OC 826790484 JDCUVFITXSZVEZ-CYBMUJFWSA-N 308.422 2.372 10 10 DECE CN(C)c1ccc(CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc1 821033548 VHJVLQNVZXRNEO-FVQHAEBGSA-N 300.402 2.136 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)[C@H]1CCOC1 824240839 OMIHSYUBLOIWLR-DOTOQJQBSA-N 320.433 2.153 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CCN(CC1)C2 900399735 IMIDWBWZYTVIQM-UHFFFAOYSA-N 301.434 2.197 10 10 DECE Cc1cccc(CN2C[C@@H]3CC[C@H](C2)N3C2CCNCC2)c1O 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CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)O 790995182 HFYMZSFGYCHBAS-KRWDZBQOSA-N 306.450 2.408 10 10 DECE C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 797068848 HCOFKLDTKUJNMX-CHWSQXEVSA-N 310.463 2.369 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCOCC2)C1 1303971245 PSZFQONLWHTCDF-HNNXBMFYSA-N 319.401 2.306 10 10 DECE O=C(NCc1nnc(C2CC2)s1)NCc1ccccc1O 1251896041 YSCVDIDXTOPMIS-UHFFFAOYSA-N 304.375 2.121 10 10 DECE CCc1[nH]nc(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] 1457039623 YFHCRZODKPGAGO-UHFFFAOYSA-N 324.724 2.169 10 10 DECE C[C@H](N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O 227556021 HPVOHXITOBHAAZ-XDTLVQLUSA-N 308.378 2.414 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ncnc2ccsc12 1626847479 BHRMAMFEXNLWJP-UHFFFAOYSA-N 301.327 2.033 10 10 DECE CCCCN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1714574376 RTRCCNCQZCRVIB-UHFFFAOYSA-N 305.382 2.311 10 10 DECE C[C@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1623794671 JDJNNRCMJPSVKA-GXTWGEPZSA-N 307.390 2.182 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@H](OC)C(C)C)cc1C 1567050531 BQSCCZPRCDTJBL-RHSMWYFYSA-N 322.449 2.269 10 10 DECE O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnnc(O)c1 1570027507 LNNFBNMQPGRBSB-UHFFFAOYSA-N 314.128 2.125 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc2ccccc2nc1O 1652623015 MLUWGPHIXPBJCK-UHFFFAOYSA-N 310.309 2.282 10 10 DECE COC(=O)C1CCN(/N=N/c2ccc(OC)c([N+](=O)[O-])c2)CC1 1860483833 KZYNMWGOIGIBGU-FOCLMDBBSA-N 322.321 2.487 10 10 DECE CN(C)c1ccc(CNCCC(=O)NCc2ccco2)cc1 1857858884 LLSLWXGCFLBQNB-UHFFFAOYSA-N 301.390 2.142 10 10 DECE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)N1CCCC1 1970785530 BKLGMHAOYJWWCX-UHFFFAOYSA-N 310.297 2.164 10 10 DECE C[C@H](NOC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 1984438562 BPYPAPYOVOMWKH-JTQLQIEISA-N 324.377 2.299 10 10 DECE NS(=O)(=O)c1ccc(Cl)c(NCc2ccccc2O)c1 37138176 CYZQINIEYYPKRS-UHFFFAOYSA-N 312.778 2.305 10 10 DECE OCc1ccc(N2C[C@H](CO)C3(CC3)C2)c(Br)c1 2027537421 AVZBKQXGRVFBQV-LLVKDONJSA-N 312.207 2.150 10 10 DECE NCc1ccc(N2C[C@@H](O)CC23CCC3)c(Br)c1 2038055021 VRYYXLYMGZJBGS-NSHDSACASA-N 311.223 2.402 10 10 DECE CCS(=O)(=O)N1CCC(Nc2c(N)cccc2Cl)CC1 2160465180 IQXIJBLJDKUOQC-UHFFFAOYSA-N 317.842 2.148 10 10 DECE Oc1cccc(Br)c1CN1CC[C@H]2CNC[C@H]2C1 706871513 BPEUNFRXRBKCHV-QWRGUYRKSA-N 311.223 2.196 10 10 DECE O=S1(=O)CCC[C@@]12CCN(Cc1cc(Cl)ccc1O)C2 708632175 PVKHZXNSOOPIKT-AWEZNQCLSA-N 315.822 2.199 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCc2nccn2C1 725851494 SEFMFLZTJRXLJU-NSHDSACASA-N 322.206 2.456 10 10 DECE CCOC(=O)c1cnn([C@@H](C)c2cc(OC)ccc2O)c1O 2070470050 ZIYKUTSCMIGEEN-VIFPVBQESA-N 306.318 2.089 10 10 DECE NCc1cc(F)c(N2CCC(F)(F)[C@H](CO)C2)cc1Cl 2177382197 XHGPQGSTFXXXAK-VIFPVBQESA-N 308.731 2.392 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@]3(CO)C2)cc1Br 2078145197 WMSUUEJXXYMUHA-BXUZGUMPSA-N 311.223 2.117 10 10 DECE Cc1ccc(CN2C[C@H]3C[C@@]3(CN)C2)c(O)c1Br 2327620477 DJAUQWGITXRASD-BXUZGUMPSA-N 311.223 2.244 10 10 DECE Cc1ccc(CN2CC[C@H]3C[C@]3(O)C2)c(O)c1Br 2327620552 FCLINCCDTCBLOF-FZMZJTMJSA-N 312.207 2.420 10 10 DECE Cc1ccc(CN[C@@H]2CCN[C@@H]3C[C@@H]23)c(O)c1Br 2327630694 SWIFRBLMOVDMEL-QJPTWQEYSA-N 311.223 2.303 10 10 DECE O=C(Nc1cc(Cl)nc(Cl)n1)c1cccc(O)c1O 236612842 PKPMPFQVLMJRIU-UHFFFAOYSA-N 300.101 2.447 10 10 DECE Cc1cc(C)c(O)c(CN2CCN(c3ccnc(C)n3)CC2)c1 184103029 ARTQLKAQRNFJSI-UHFFFAOYSA-N 312.417 2.430 10 10 DECE O=C(O)Cc1csc(Sc2ncc([N+](=O)[O-])s2)n1 226766086 GOHVAUKNTZVRTB-UHFFFAOYSA-N 303.346 2.286 10 10 DECE CCOc1ccc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1 93612149 MQFSBFIMPXLEDJ-CYBMUJFWSA-N 305.296 2.290 10 10 DECE COc1cc(Cl)cc(CN2CC[C@@H](Cn3ccnn3)C2)c1O 826846075 PEBNHHZVEASSFE-LLVKDONJSA-N 322.796 2.168 10 10 DECE c1csc(SCCCN[C@@H]2CCO[C@]23CCOC3)n1 903097257 FCCPRJRPVLZMGW-YPMHNXCESA-N 300.449 2.163 10 10 DECE OC[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 839156867 JLYHEGWYTUYBCJ-ZDUSSCGKSA-N 306.189 2.018 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC(C3(O)CC3)CC2)c1O 844364917 ZMDLNBMXAZTPAZ-UHFFFAOYSA-N 307.365 2.471 10 10 DECE COc1ccc(CNC(=O)NC[C@]2(C)CC2(F)F)c(O)c1 852580527 HPMMCELTUQCVNO-ZDUSSCGKSA-N 300.305 2.245 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(SC(F)(F)F)nc1 859932184 ALQMUQRHILVSFW-UHFFFAOYSA-N 307.249 2.008 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C2(O)CCC2)CCC1 924947590 SFCYEQAUGZONMB-GQCTYLIASA-N 317.385 2.313 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3[C@@H](C)C[C@@H]3C)C2)cc1 854297008 IENFEWHPUBYEGP-IHRRRGAJSA-N 303.406 2.466 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](OC)C3)C2)cc1 855222961 DTJSDAZKUMRHJD-GRDNDAEWSA-N 318.417 2.205 10 10 DECE COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@@H]2CCC[C@@H]12 863334268 YQGNYIUYALXBGE-QJPTWQEYSA-N 309.387 2.258 10 10 DECE CCOc1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)c(O)c1 790618919 LDINLIMRNIEBGK-CJNGLKHVSA-N 311.422 2.039 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)N1 715765984 LMNJUMJSLGAYSY-IUCAKERBSA-N 317.202 2.476 10 10 DECE CN(Cc1cccc(Cl)c1O)C[C@@H]1CCCS1(=O)=O 694395892 ITXBSKZKXGRESM-NSHDSACASA-N 303.811 2.055 10 10 DECE COc1ccc(CCNC(=O)N[C@H](C)c2ccccc2O)cn1 1351995801 RYRBMYSNUXARNK-GFCCVEGCSA-N 315.373 2.399 10 10 DECE C/C(=C/c1cccnc1)C(=O)N1CCNC(=O)c2ccccc21 1435806906 UHECYKOMLMZSID-QBFSEMIESA-N 307.353 2.262 10 10 DECE C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1453098087 BDJMVQIDLDZATP-SMDDNHRTSA-N 318.377 2.472 10 10 DECE C[C@H](NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1O 1470577072 ISSRVQLECLIWTL-AVGNSLFASA-N 319.405 2.044 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(O)nc2c1CCCC2 1639446850 BBAOSCLELPWAGN-UHFFFAOYSA-N 314.341 2.007 10 10 DECE O=C(NCc1ccc(O)cc1O)c1c(F)cccc1[N+](=O)[O-] 1639447154 DWCWZGSLOQLIQQ-UHFFFAOYSA-N 306.249 2.075 10 10 DECE Cc1n(-c2ccccc2)c2c([n+]1C)C(=O)c1ccccc1C2=O 16955003 VHQGWTWQTHTGRF-UHFFFAOYSA-N 303.341 2.386 10 10 DECE CC[C@](C)(O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 154468981 DEEOMHSUKQONBA-KDOFPFPSSA-N 306.450 2.459 10 10 DECE CN(C)CCCN=NNc1ccc(N2CCN(C)CC2)cc1 1860493098 XMVSDCATOLFIAP-UHFFFAOYSA-N 304.442 2.169 10 10 DECE C[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)c1ccccn1 1865875811 IYKMCNMMUSKPLO-JTQLQIEISA-N 302.330 2.122 10 10 DECE CCOc1cccc(CNCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1O 1857866830 GJUSJTSNQHUQAS-KBPBESRZSA-N 320.433 2.385 10 10 DECE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1981510895 WKAYLTOMMWSCAR-KBPBESRZSA-N 321.421 2.359 10 10 DECE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 42013289 BUDMSJQHSVURED-UHFFFAOYSA-N 319.730 2.227 10 10 DECE Cc1cccc(CNC(=O)CON(C)C(=O)OC(C)(C)C)c1O 1994450469 VLYQJMDUCDZRRP-UHFFFAOYSA-N 324.377 2.115 10 10 DECE COCCCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152907635 SCCRKMDPHJATKY-UHFFFAOYSA-N 313.297 2.189 10 10 DECE CCCn1nnc(Br)c1[C@H](N)c1ccccc1O 2038856572 MWBZWHCFDOMHPB-SNVBAGLBSA-N 311.183 2.204 10 10 DECE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Cl 707381330 DZQRCCRNUGARAT-UWVGGRQHSA-N 303.811 2.017 10 10 DECE C[C@H](NC(=O)c1cc(Br)n[nH]1)c1ccccc1O 1171730068 JMMSHPWEYJTOPX-ZETCQYMHSA-N 310.151 2.369 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@H](F)C[C@@H](F)C3)c(Cl)cc21 2182598988 LYAFRAFKINPLCH-QHMRUWFYSA-N 301.724 2.178 10 10 DECE CC[C@H](c1cc(Br)ccc1O)N(OC)C1CNC1 2050142284 QVAIZJQOUIRDLJ-GFCCVEGCSA-N 315.211 2.441 10 10 DECE CC(C)SC[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2088468118 YNJHWCQBKUOFGP-NSHDSACASA-N 302.465 2.218 10 10 DECE CCN(CC)CCSc1ncc(CNCCOC)s1 2099111322 PFIMBRJHWHOARG-UHFFFAOYSA-N 303.497 2.313 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(CCS(=O)(=O)C(F)(F)F)CC1 2099328406 BXFUDXHEQMYBFK-QMMMGPOBSA-N 300.306 2.086 10 10 DECE CC[C@@H](C)NCc1cnc(SC[C@@H]2CN(C)CCO2)s1 2239999004 FBBXGKAHUOQDRU-NEPJUHHUSA-N 315.508 2.454 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254113813 HZMGTYFXXWJWOH-IMSIIYSGSA-N 311.223 2.430 10 10 DECE C[C@H](N)c1ccc(N2CC[C@]3(O)C[C@@H]3C2)cc1Br 2254119934 HZMGTYFXXWJWOH-RBZYPMLTSA-N 311.223 2.430 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2244379650 WESHJUQTHFMFKM-UTUOFQBUSA-N 323.397 2.401 10 10 DECE CSc1ncc(CNC(=O)[C@@]23C[C@H]4CC[C@@H](N4)[C@@H]2C3)s1 2284499749 MXXPWOGOJPMUQC-JMLLCIOISA-N 309.460 2.012 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 2284538146 RLBXOSDKRSTMNL-NXEZZACHSA-N 314.432 2.372 10 10 DECE Cc1ccc(CN[C@H]2CCC[C@@H]2O)c(O)c1Br 2307475015 NYWZUOCTQYNCET-QWRGUYRKSA-N 300.196 2.466 10 10 DECE Cc1ccc(CN(C)CCCON)c(O)c1Br 2307463272 HNQNMHIISPDXSY-UHFFFAOYSA-N 303.200 2.175 10 10 DECE C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1C(=O)O 2309779470 BCMYXQNDPMDALU-PPKCKEKNSA-N 314.179 2.354 10 10 DECE O=C(O)C[C@@H]1C[C@H]1CNCc1cc(Br)ccc1O 2314316692 LSHSHXFLTSJHGV-IUCAKERBSA-N 314.179 2.355 10 10 DECE CCOC(=O)c1cc(Br)n(-c2ccc(N)cc2)n1 72190400 YUUBYSWMYSNPLM-UHFFFAOYSA-N 310.151 2.394 10 10 DECE O=C1Nc2cc(N3C[C@H]4C[C@@H](C3)C4)c(Br)cc2[C@@H]1O 1899781100 CIKBSELSFIHESC-DAROEXNTSA-N 323.190 2.281 10 10 DECE CCC[C@@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305044405 DWUNTCTZLDLIQD-GFCCVEGCSA-N 301.346 2.141 10 10 DECE Cc1noc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)n1 188470961 JRJPRRGEUGMDFM-AWEZNQCLSA-N 303.362 2.274 10 10 DECE C[C@H](NC1(CO)CCC1)c1ccc(N2CCOCC2)c(F)c1 182442487 KDVKPIDODZHSEV-ZDUSSCGKSA-N 308.397 2.228 10 10 DECE CCN[C@@H]1C(=O)Nc2cc(N(C)C(C)(C)CO)c(Cl)cc21 126590087 CUTIAKXAHHJZJX-ZDUSSCGKSA-N 311.813 2.150 10 10 DECE CC(C)N(CC(=O)NCC(F)(F)F)Cc1ccc(N)cc1 49310051 MAQXSUMQPBVLCH-UHFFFAOYSA-N 303.328 2.158 10 10 DECE CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 190149765 AJIVHYKBGLEJGW-ZIAGYGMSSA-N 303.362 2.354 10 10 DECE COCCN(CC(=O)Nc1ccc(N)cc1)Cc1ccccc1 384386363 PEWSUWCENCUIHT-UHFFFAOYSA-N 313.401 2.356 10 10 DECE COc1ccccc1/C=C\C(=O)NCCc1ccc(O)c(O)c1 255173249 FUCMGLFUZXADRR-CLFYSBASSA-N 313.353 2.479 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)Cc2cc(C)on2)c1O 278236235 NIIZNXCODUPXME-UHFFFAOYSA-N 307.306 2.237 10 10 DECE COc1ccc(N2CCN(C(=O)/C=C/[C@H]3CCCO3)CC2)cc1 819005160 XNIFWQFNAWAHEE-KBOKABMXSA-N 316.401 2.079 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)C2)cc1 813560654 JIQKAWZCSDCNDQ-UHFFFAOYSA-N 303.406 2.075 10 10 DECE O=C(Cc1ccc(O)nc1)NCCCSc1nccs1 827474512 BIPRKZCJAZCCLH-UHFFFAOYSA-N 309.416 2.085 10 10 DECE Cc1cnc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)s1 588406510 MICNXGCPJOVSRR-HYXAFXHYSA-N 304.371 2.235 10 10 DECE C[C@H](NC(=O)N[C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 836407472 ZYIDZTGKNGWIFP-WFASDCNBSA-N 313.405 2.454 10 10 DECE COc1ccc(O)c([C@@H](C)NCC(C)(C)[C@@]2(O)CCOC2)c1 842918198 DKOAIQFBKYBDFM-SJKOYZFVSA-N 309.406 2.229 10 10 DECE CCN1C[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)CC1=O 846092071 SWMXPNOJJLVELY-SQRWCISFSA-N 301.434 2.224 10 10 DECE Cc1cc(O)c(CN[C@H]2CCCN(CCCO)C2)c(Cl)c1 840950043 DXUBJZWTOXICOL-ZDUSSCGKSA-N 312.841 2.290 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21C(=O)N1CC(N=[N+]=[N-])C1 1895875286 HXCWKWJXPLOBNO-BONVTDFDSA-N 321.381 2.297 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NOC3CCCC3)C2)cc1 852240313 HFGUECDXEQHRAS-CYBMUJFWSA-N 319.405 2.447 10 10 DECE C[C@H](F)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852356370 CKZDDOYUHDELPA-ZDUSSCGKSA-N 323.412 2.195 10 10 DECE COc1ccc(N2CCC(N[C@@H](CO)C3CCC3)CC2)cc1 850350531 RVWQSXPQGKKQJO-SFHVURJKSA-N 304.434 2.415 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1 864574040 WYYXWXLBVRLSSA-DLBZAZTESA-N 302.418 2.432 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1nccnc1Br 2256093585 LKHJPQXOQPDHGC-ZETCQYMHSA-N 311.143 2.154 10 10 DECE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccnn1C 865837812 AWDPPTJFHJGKMN-OAHLLOKOSA-N 313.449 2.023 10 10 DECE COC[C@H](CCNCc1ccc(Br)cc1O)OC 701043337 LDJWGYPFFKQSBC-LBPRGKRZSA-N 318.211 2.296 10 10 DECE CO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C(=O)O 690083566 NUOJTTZMZCLJFJ-GXSJLCMTSA-N 320.172 2.230 10 10 DECE C[C@@H](NC(=O)N[C@H]1CCC2(C1)OCCO2)c1ccccc1O 1225108686 XVNGZEKKMDIFMI-NEPJUHHUSA-N 306.362 2.048 10 10 DECE COc1ccccc1[C@@H](O)C(=O)NCc1cc(Cl)ccc1O 1165507584 FQHUKOFUJCIJCK-OAHLLOKOSA-N 321.760 2.404 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ncnc(O)c12 1177484490 AGFSXSLXRVZSJL-FNORWQNLSA-N 323.308 2.399 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3[nH]cnc23)c1 1445971033 RIHDIYRHFPJPFB-SECBINFHSA-N 312.329 2.163 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)c2ccccc2O)C1 1921827456 LFPHFRLSCLEIIG-PBHICJAKSA-N 322.405 2.154 10 10 DECE COc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccn1 1540573203 OIFUHBHVDZTPEK-UHFFFAOYSA-N 313.317 2.183 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cnn2ncccc12 1628666636 HDBKHROSTMFNFU-UHFFFAOYSA-N 302.721 2.018 10 10 DECE COc1ccc2c(c1)CN(C(=O)Cc1ccc(O)c(O)c1)CC2 1631810281 YFDSPGGBEULQCK-UHFFFAOYSA-N 313.353 2.234 10 10 DECE COc1ccc(CC(=O)NCc2c(O)cccc2F)cc1OC 1638858046 FIWHMDIJEVFOOI-UHFFFAOYSA-N 319.332 2.407 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccsn1 1634944093 JSKSNAFNQGRJRV-UHFFFAOYSA-N 313.375 2.030 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncnc2sccc12 1631433861 HOXFHQOMQDVWSO-UHFFFAOYSA-N 301.327 2.033 10 10 DECE CO[C@@](C)(C(=O)NCc1c(O)cccc1O)c1ccccc1F 1639292508 GFTJHQKJUHPSJS-QGZVFWFLSA-N 319.332 2.415 10 10 DECE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(C(F)(F)F)c1 1643881775 FCHORIFJZHARGQ-UHFFFAOYSA-N 314.263 2.385 10 10 DECE CCOC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1593882564 YMVWBPUOLOMRTG-UHFFFAOYSA-N 315.325 2.205 10 10 DECE COc1c(O)cc2c(c1OC)C(=O)c1c(ccc(C)c1O)C2=O 6071441 ISZGKWAWCDXIJR-UHFFFAOYSA-N 314.293 2.199 10 10 DECE biogenic,in-vitro N[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@H]2COC[C@@H]12 1899885486 XAEBYQHXHKRMBR-OTWHNJEPSA-N 310.397 2.428 10 10 DECE NCc1ccc(N2CC3(CC3)C[C@H]2CO)c(Br)c1 2037837546 SZRRZGJUAZBTFN-NSHDSACASA-N 311.223 2.259 10 10 DECE C[C@H](N)c1ccc(N2CC(CN(C)C)C2)cc1Br 382325343 CODOOXBSWBPWLF-JTQLQIEISA-N 312.255 2.467 10 10 DECE CCN(CCC(F)(F)F)C(=O)c1cnn2c(O)cc(C)nc12 2063841433 HIIFFAFHEKMUNL-UHFFFAOYSA-N 316.283 2.158 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)cc1F 2170164983 USQGDIPVYSFRAE-LLVKDONJSA-N 303.399 2.140 10 10 DECE COc1ccc([C@@H](C(C)C)n2nc(C)c(CO)c2N)c(O)c1 2079972132 QLQPDYIJAMBGET-OAHLLOKOSA-N 305.378 2.226 10 10 DECE CCc1nn([C@@H](c2ccc(OC)cc2O)C2CC2)c(N)c1CO 2079980038 YEAZEEZWEBCZTA-MRXNPFEDSA-N 317.389 2.234 10 10 DECE C[C@H]1SCCC[C@@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2197291630 LFVIMADPEPMSMY-RISCZKNCSA-N 314.476 2.315 10 10 DECE COc1cc(Cl)cc(CNCCCC[S@](C)=O)c1O 2110344961 GSWLRXDTAIOPLW-IBGZPJMESA-N 305.827 2.303 10 10 DECE COc1ccc(N2CC[C@@H]2[C@@H](C)O)c(OC)c1Br 2219392543 VWUXCMANTFWCAS-RKDXNWHRSA-N 316.195 2.426 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 2235846893 HFFWPEGFNYTXOJ-MRVPVSSYSA-N 302.306 2.428 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)CCCC(F)(F)F 2225800347 QQXCGMDLADUQBI-YUMQZZPRSA-N 300.306 2.480 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2nn(C)nc2Br)cc1 2226991672 UXYUJGAGKLFDKX-SECBINFHSA-N 324.226 2.234 10 10 DECE CSc1ncc(CNC(=O)[C@H](C(N)=S)C(C)C)s1 2257100274 BSBDUHVFJXABKI-QMMMGPOBSA-N 303.478 2.040 10 10 DECE CC(C)[C@H](CO)N(C)c1ccc(CO)cc1Br 2302599777 ZIGXPMNXEIOUEB-ZDUSSCGKSA-N 302.212 2.395 10 10 DECE Cc1ccc(CN[C@@H](CO)C2CC2)c(O)c1Br 2307478110 TVXVCZNNRRVHKK-NSHDSACASA-N 300.196 2.324 10 10 DECE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccccc1O 2313499075 ICAYRXVRIXGGGN-UHFFFAOYSA-N 301.342 2.473 10 10 DECE C[C@@H](Nc1nn(C)nc1Br)c1ccc(O)cc1O 2320068215 IDQIEQFNZLVUMP-ZCFIWIBFSA-N 313.155 2.162 10 10 DECE CSc1ncc(CN=c2[nH]c(=N)[nH]c3cscc23)s1 2335947208 FWQSNCNGYUJPQN-UHFFFAOYSA-N 309.445 2.316 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCc2noc(C)n2)cc1 175642261 IZEZGASEEPIFIP-UHFFFAOYSA-N 317.393 2.224 10 10 DECE Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H](O)C(F)(F)F 121591153 QZOJJBCGIONITE-JSGCOSHPSA-N 319.323 2.296 10 10 DECE CS(=O)(=O)c1ccc(F)c(NCc2ccc(O)cc2O)c1 37058149 ZNGXTTVCGWDMMP-UHFFFAOYSA-N 311.334 2.253 10 10 DECE CC[C@H](N[C@H](C)C(N)=O)c1cc(Br)ccc1O 35793384 WZPQCFAYAVUZQK-XCBNKYQSSA-N 301.184 2.069 10 10 DECE CCN(CC(=O)N(C)C)c1ccc(CN)c(C(F)(F)F)c1 36195803 QXAIYZITEJQKFV-UHFFFAOYSA-N 303.328 2.079 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CCN2CCC[C@@H]12 218093342 YNBUOUIIYZNKEU-OLZOCXBDSA-N 311.223 2.481 10 10 DECE CC(C)N1CCN(c2ccc(CN)cc2Br)CC1 213009939 TYZDYDLEKCOQNL-UHFFFAOYSA-N 312.255 2.438 10 10 DECE CC1(C)C[C@H]1[C@@](CSc1nccs1)(NC1CC1)C(N)=O 2366600561 MCHNCYMTVBSOMO-QMTHXVAHSA-N 311.476 2.257 10 10 DECE CC(C)(C)OC(=O)N[C@H](C=C[N+](=O)[O-])Cc1ccc(O)c(O)c1 1951603632 JGZLZLVZMGXEOU-LLVKDONJSA-N 324.333 2.324 10 10 DECE CN(CC[C@@H]1CCCCN1C)Cc1cc2c(cc1O)OCO2 93660164 MMMQMOUGJQHCTJ-AWEZNQCLSA-N 306.406 2.427 10 10 DECE COc1cc2c(c(OC)c1OC)[C@@H](C1CCNCC1)CN2C 527417339 PDEOZEQJRLMQSM-GFCCVEGCSA-N 306.406 2.245 10 10 DECE CN1Cc2cc(NC(=O)c3cccc(O)c3O)ccc2NC1=O 366192491 WFESVEGAIQOEOJ-UHFFFAOYSA-N 313.313 2.327 10 10 DECE COc1cc(N(C)CCc2ccnn2C)cc(OC)c1OC 284216477 AOSCNDCSOCJACK-UHFFFAOYSA-N 305.378 2.125 10 10 DECE Cc1cc(Cl)cc([C@H](C)N[C@H]2CCC(=O)N(C)C2=O)c1O 818361672 MNEGLNLFRBZGAJ-CABZTGNLSA-N 310.781 2.152 10 10 DECE CC1(O)CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 825776179 CWIZKLNVSOGXSP-CSLYMUCUSA-N 319.401 2.061 10 10 DECE Nc1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)ccc1O 722248179 GXIFUOWEHUINHL-UHFFFAOYSA-N 314.750 2.134 10 10 DECE CN(C)c1ccc(/C=C\CN2CCN3C(=O)OCC[C@H]3C2)cc1 835027674 CRSYVINFDFAJEW-LIMHQNJXSA-N 315.417 2.292 10 10 DECE Cc1cc(Cl)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O 841890578 CUVBUOXYDAWTHC-CHWSQXEVSA-N 312.841 2.241 10 10 DECE COc1ccc(O)c(CN2CCc3cc(Cl)nnc3C2)c1 843417702 AOSAPTNNWBALQF-UHFFFAOYSA-N 305.765 2.403 10 10 DECE CO[C@@H](CCNC(=O)NCc1c(O)cccc1F)C(F)(F)F 922138587 ZRYKFTGIVBJMQM-NSHDSACASA-N 324.274 2.298 10 10 DECE CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@H]2[C@H](CO)C3)c1O 852775631 YZKTULJLZCCENA-RBOXIYTFSA-N 307.365 2.327 10 10 DECE O=C1N[C@H](c2cc3c(cc2O)OCO3)Nc2cc(F)ccc21 920406415 PCYRJNRITNYURR-CQSZACIVSA-N 302.261 2.114 10 10 DECE COc1ccc(N2CCN(C(=O)NC[C@@H]3C[C@@H]3C)CC2)cc1F 753841550 VCHXVXXKQAFFHM-STQMWFEESA-N 321.396 2.322 10 10 DECE CN(C)c1ccc(CNC(=O)c2n[nH]cc2C(F)(F)F)cc1 864574984 JJASPINXLQPYJD-UHFFFAOYSA-N 312.295 2.425 10 10 DECE Cc1c(CCC(=O)NCc2ccc3cccnc3c2O)cnn1C 862026850 APPJVHFXDZMCJY-UHFFFAOYSA-N 324.384 2.231 10 10 DECE Cc1cc(C2(NC(=O)c3cc(O)cs3)CCOCC2)on1 863714880 WVHSRXPTZDDODU-UHFFFAOYSA-N 308.359 2.186 10 10 DECE COc1cccc(O)c1CNC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 886333387 HXFLDUABJXCNLP-GDZNZVCISA-N 307.390 2.217 10 10 DECE CC(=O)N1C[C@@H]2CN(Cc3c(O)cc(C)cc3Cl)C[C@@H]2C1 895576971 SSNNSEMSKKOROY-BETUJISGSA-N 308.809 2.264 10 10 DECE CCOc1ccc(N2CC[C@@H](CNC[C@@H](C)O)C2)cc1OCC 76382890 TXXLYIRDBMYWJF-CABCVRRESA-N 322.449 2.281 10 10 DECE COc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c(OC)c1 1137705559 STVIGJFCBRDTOG-UHFFFAOYSA-N 317.341 2.321 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 1138070713 ATOPAKDOLODMMO-UHFFFAOYSA-N 313.321 2.487 10 10 DECE N[C@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@H]4C3)c(Br)cc21 688348724 GTTVUXWXWCWOQD-BFHDXFOESA-N 322.206 2.247 10 10 DECE CCC/C=C/[C@@H](O)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1144879154 MSRYJGORMOAUOT-IWAYRVGRSA-N 320.433 2.307 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1153886111 WQXZZZPICNVVAS-LBPRGKRZSA-N 324.377 2.017 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(OCC(F)F)nc1 1304053572 OGELWKBYTFMWJH-UHFFFAOYSA-N 324.283 2.067 10 10 DECE CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1163737540 LPCKXRVDIWRNCU-CYBMUJFWSA-N 323.389 2.123 10 10 DECE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@](C)(O)c1ccccc1 1164484672 DJSKMCABYAUCJT-XIKOKIGWSA-N 315.369 2.053 10 10 DECE COc1ccc(CNC[C@@H](C)CNC(=O)c2ccon2)cc1C 1270365874 VMXVIYWKHNEZNO-GFCCVEGCSA-N 317.389 2.147 10 10 DECE Cc1nc(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)cs1 1912193869 QYPHHSJEMIVUTJ-UHFFFAOYSA-N 301.397 2.163 10 10 DECE O=C(CCOc1cccc(F)c1)NCc1cc(O)ccc1O 1455356893 MKGFDUONUGTDHC-UHFFFAOYSA-N 305.305 2.322 10 10 DECE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)cc1C 1707063044 SPPNPULMLWWAAL-BMFZPTHFSA-N 315.417 2.148 10 10 DECE C[C@@H]1CCCN(CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 1543013460 MWZAYVYOTFHVCO-CQSZACIVSA-N 320.433 2.269 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 1630084499 JYDDUUJZWAXHIQ-DOPJRALCSA-N 313.328 2.234 10 10 DECE C[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1ccccc1O 1643742069 MYXMGINLNGPVMU-SNVBAGLBSA-N 324.344 2.140 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn2ccnc2c1 163912203 LMRPKLIIFIUZRJ-UHFFFAOYSA-N 322.368 2.440 10 10 DECE NC(=O)[C@@H]1CCCCN1c1ccc(/C=C/C(=O)O)cc1Cl 164362750 YZJCHVIIVMMHOP-IYNGYCSASA-N 308.765 2.282 10 10 DECE [N-]=[N+]=NCCCN1C[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2 1962288293 UPLSTNWRJRUGRQ-AEJSXWLSSA-N 305.304 2.218 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H](NCc2cccc(O)c2O)C1 1978877741 QXEVNNLBVBHIDS-CYBMUJFWSA-N 320.389 2.363 10 10 DECE OCC1CC(CNCc2cc(Br)ccc2O)C1 2003064889 FMVYUBRYPRJFKY-UHFFFAOYSA-N 300.196 2.263 10 10 DECE COc1cccc(CN(OCc2ccccc2)C2CNC2)c1O 1982823011 HVPISDZHCWKFTI-UHFFFAOYSA-N 314.385 2.306 10 10 DECE C[C@H](NCc1ccc(Cl)cc1O)C1CCS(=O)(=O)CC1 2146310335 ZCIYWPOPFNURJP-JTQLQIEISA-N 317.838 2.349 10 10 DECE COc1ccc(N(C)[C@@H](C)CN)c(OC)c1Br 1999212452 UXTIOXBZBJOSOD-QMMMGPOBSA-N 303.200 2.250 10 10 DECE CCN[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 2030044366 YJHJAGILPHTEMT-LLVKDONJSA-N 317.202 2.478 10 10 DECE CC1([C@H](NCc2cc(Br)ccc2O)C(=O)O)CC1 2032662787 CDBMQDNSUZAUFT-LLVKDONJSA-N 314.179 2.498 10 10 DECE COC(=O)[C@]1(NCCN=[N+]=[N-])CCC[C@H](P(C)(C)=O)C1 2160834567 MEVWAFHKOJZJKG-JQWIXIFHSA-N 302.315 2.363 10 10 DECE CCn1cnc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 92910317 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CC1(C)OC(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)O1 752036 NYEKKVKVJYMZKP-UHFFFAOYSA-N 305.330 2.489 10 10 DECE CC[C@@H](CNC(=O)c1cnco1)NCc1ccc(OC)c(C)c1 1269441970 CPMKRSFLVJKIQJ-AWEZNQCLSA-N 317.389 2.290 10 10 DECE CC(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 77444084 NPLOZIBLMFRRMX-OAHLLOKOSA-N 320.433 2.496 10 10 DECE CCn1cc([C@H]2CN(Cc3cccc(OC)c3O)CCO2)cn1 191709659 VBUKWQGLRUFUEZ-MRXNPFEDSA-N 317.389 2.191 10 10 DECE CCOc1ccc(O)c(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 245737098 LBEJUCSUXFEXFA-RYUDHWBXSA-N 315.435 2.044 10 10 DECE COCCn1cc(CNCc2cc(Cl)cc(C)c2O)cn1 282550143 RSNMAYYTXVAPLU-UHFFFAOYSA-N 309.797 2.487 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](CN)[C@H](c2cccc(O)c2O)C1 382680628 AQMPXSITXQDJTK-ZYHUDNBSSA-N 308.378 2.007 10 10 DECE COc1ccc(CNC(=O)N[C@@H]2CCCC2(F)F)c(O)c1 807597175 XSBRUTMBSCTRER-GFCCVEGCSA-N 300.305 2.388 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@@H](N3CCOC3=O)C2)c1O 827000033 GRZPOUUNYRVZBH-CYBMUJFWSA-N 310.781 2.381 10 10 DECE COCC1(CCNC(=O)NCc2ccc(OC)cc2O)CC1 827176979 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306.450 2.063 10 10 DECE Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2O)cn1 890760985 HKMPMXXPUYRWBJ-NWDGAFQWSA-N 305.765 2.199 10 10 DECE CCOC(=O)c1cc(CNCc2cc(C)cc(OC)c2O)on1 895454862 OIIWMDHMJOXIKC-UHFFFAOYSA-N 320.345 2.164 10 10 DECE C[C@@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Cl 688603888 XRBSLSPDHYGJEE-NXEZZACHSA-N 305.827 2.263 10 10 DECE COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2OC)c(O)c1 799404556 FZBBEOREMSPHQH-ZFWWWQNUSA-N 308.378 2.158 10 10 DECE C[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C1(S(C)(=O)=O)CC1 797069008 BFTLTXRKOMIYIH-BDAKNGLRSA-N 319.373 2.287 10 10 DECE CN1C(=O)/C(=C/c2cn[nH]c2)c2cc(Br)cnc21 794956588 HRCAQWMMFWMFNW-WTDSWWLTSA-N 305.135 2.084 10 10 DECE COC[C@H](CCNCc1cccc(Br)c1O)OC 694299095 MLMIFKNXSKGAEM-NSHDSACASA-N 318.211 2.296 10 10 DECE COC(=O)/C=C/c1ccc(C(=O)NCc2c(O)cccc2F)o1 1303876369 ZABLZLFFQUXBAK-SOFGYWHQSA-N 319.288 2.241 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1[C@H]1CCCO1 1305523245 DIYZRKIVUKBXOL-CZUORRHYSA-N 305.374 2.200 10 10 DECE Cc1cc(Br)c(O)c(CN2C[C@@H](O)C3(CC3)C2)c1 1320468702 GQNJPILGYLFQQZ-GFCCVEGCSA-N 312.207 2.420 10 10 DECE CC(=O)c1cc(Cl)cc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1O 1171660322 XOUHSEANRXIDGN-LPEHRKFASA-N 324.808 2.346 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)CCCOCc2ccccc2)C1 1912145772 LBTDEOPMDZZNSO-CQSZACIVSA-N 324.406 2.308 10 10 DECE O=Cc1c[nH]c2ccc(C(=O)NCc3ccc(O)cc3O)cc12 1451754434 JMGCYENUSJTIIX-UHFFFAOYSA-N 310.309 2.322 10 10 DECE Cn1cnc(/C=C/C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1 1533799773 ZWYOZWURBHPSRI-GORDUTHDSA-N 316.292 2.070 10 10 DECE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1713498423 UFSRRIVZRWGMKC-UHFFFAOYSA-N 305.382 2.309 10 10 DECE CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1556610860 QGLGXMAYJHZDLD-LBPRGKRZSA-N 302.334 2.433 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccn2)nc1 1595595843 LOJRUZYOVXNRFE-UHFFFAOYSA-N 321.336 2.485 10 10 DECE CC(=O)C(=O)[C@@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 1934841180 CDWANVGVJWUBBB-SFHVURJKSA-N 301.386 2.094 10 10 DECE CN[C@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1936984518 OKJPPHXYTZPNBN-RHSMWYFYSA-N 322.405 2.337 10 10 DECE OC[C@@H](CNCc1cc(Br)ccc1O)C1CC1 1942320162 IFGVKGBSMSRRNR-LLVKDONJSA-N 300.196 2.263 10 10 DECE Nc1cc2c(cc1N1CC(OCc3ccccc3)C1)OCCO2 1977120395 RDINPHYAXOFTSP-UHFFFAOYSA-N 312.369 2.445 10 10 DECE C[C@H](O)[C@@H]1CCN1c1ccc([C@@H](C)O)cc1Br 2011150137 XNXJNFDTKQFAFN-PTRXPTGYSA-N 300.196 2.462 10 10 DECE CNCc1ccc(N2CC(C(C)(C)O)C2)cc1Br 2034824678 LPYQNAKIRXFHEH-UHFFFAOYSA-N 313.239 2.376 10 10 DECE C[C@H](N)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159809524 QPGXSONRAQNPAM-QMMMGPOBSA-N 304.404 2.290 10 10 DECE NC(=O)c1coc(CNCc2cc(Cl)cc(Cl)c2O)n1 2160642349 UBWHFEBSPMFQEQ-UHFFFAOYSA-N 316.144 2.076 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1CO 709378192 XHIUIPFNBWZAHS-WPRPVWTQSA-N 317.202 2.112 10 10 DECE CCN1CC(CN(C)c2ccc(CN)cc2Br)C1 692285421 WGJUDOJTCDIRDM-UHFFFAOYSA-N 312.255 2.296 10 10 DECE CN(C)CC1CN(c2ccc(CN)c(Br)c2F)C1 382573732 NKUNDKBXDDOCOL-UHFFFAOYSA-N 316.218 2.045 10 10 DECE O=C(O)[C@@H]1CSCCN(Cc2c(O)cccc2Cl)C1 2097285633 ZYLDHMPHVLWHTB-VIFPVBQESA-N 301.795 2.295 10 10 DECE CN(C)c1ccc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 2211925231 LCVLAWMLNQHCMY-GJZGRUSLSA-N 322.405 2.112 10 10 DECE CP(C)(=O)CN1CCN(Cc2cccc(F)c2O)CC1 2205362325 PTXLOJCCXXFMEO-UHFFFAOYSA-N 300.314 2.229 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@H]1COC2(CCC2)[C@@H]1O 2206477036 GRRITMIOBVWZIA-WCQYABFASA-N 318.200 2.471 10 10 DECE CCC1(O)CN(c2ccc(OC)c(Br)c2OC)C1 2219390275 SOQFLCKKFQXMHG-UHFFFAOYSA-N 316.195 2.427 10 10 DECE CN[C@@H]1CCC2(C[C@@H]1Oc1ccc(N(C)C)cc1)OCCO2 2229371244 XPVPNOMOTNRWCB-CVEARBPZSA-N 306.406 2.015 10 10 DECE CNC[C@H]1N(Cc2cnc(SC)s2)CCOC12CCC2 2284696738 CVVXZMHMUOTFOO-GFCCVEGCSA-N 313.492 2.208 10 10 DECE COc1cccc(CN(C)C(=O)C=Cc2ccc(O)c(O)c2)n1 2310797470 AICREIHQHGYKEQ-UHFFFAOYSA-N 314.341 2.173 10 10 DECE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Br)ccc1O 2309702015 AAVCLYIEEMCTIV-TVYUQYBPSA-N 311.223 2.466 10 10 DECE S=C(NCc1cccnc1)SCc1cn2cccnc2n1 6382899 PENMEACCRACVNG-UHFFFAOYSA-N 315.427 2.432 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@H](c2c(O)cccc2O)CC1 1952078611 AWOOCXNMVGBSGC-LLVKDONJSA-N 308.378 2.369 10 10 DECE CC(C)[C@](C)(O)CN(C)Cc1ccc(N2CCOCC2)cc1 186504260 ZHMLJZBGMRTURO-GOSISDBHSA-N 306.450 2.362 10 10 DECE COc1c(O)cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc12 5607017 LOPIYUZMSJFIQA-UHFFFAOYSA-N 316.265 2.291 10 10 DECE biogenic CN1C(=O)CNC[C@@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952057571 UXNTVAHIRJCJLD-SSDOTTSWSA-N 309.580 2.455 10 10 DECE Cc1ccc(NC(=O)CCN2C(=O)CSC2=S)c(F)c1 1865768752 QLDQZUVGCPYDMU-UHFFFAOYSA-N 312.391 2.323 10 10 DECE CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 120662691 ZWBSQQFAYTYZPK-IAGOWNOFSA-N 319.493 2.420 10 10 DECE C[C@H](NC[C@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)cc1 189340562 ZFMRASDOMVQXNK-MPGHIAIKSA-N 304.434 2.335 10 10 DECE O=C(O)[C@@H]1c2ccsc2CCN1Cc1ccc(O)cc1O 86808368 AEYOHEDGZBTERA-AWEZNQCLSA-N 305.355 2.343 10 10 DECE CC[C@@H](C)C[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 88293272 FVRJISCKDAHJJL-CHWSQXEVSA-N 314.451 2.392 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cccc(Br)c1 90260500 SLBZYXROWGIFOS-SNVBAGLBSA-N 312.171 2.266 10 10 DECE COC(=O)COc1ccc(N(C)Cc2nnc(C)s2)cc1 273128008 SKAIRJSQRVNKEN-UHFFFAOYSA-N 307.375 2.035 10 10 DECE CC(=O)C(=O)COC(=O)CCCCC(=O)c1ccc(F)cc1 808538750 DWQOAPGWPFBZFE-UHFFFAOYSA-N 308.305 2.270 10 10 DECE NC(=O)C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 295243755 FGGLGIHCGRUKQL-SECBINFHSA-N 300.761 2.272 10 10 DECE CCNC(=O)C1CN(Cc2cc(Cl)cc(Cl)c2O)C1 839138567 NLXJTAOIQRTPOF-UHFFFAOYSA-N 303.189 2.267 10 10 DECE CC(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835029696 YVEVJGJJMGMOSO-SNAWJCMRSA-N 301.434 2.366 10 10 DECE COC(=O)c1cnc(SCC[S@@](=O)C(F)(F)F)s1 905954424 BNCLAPDZTXEAPV-GOSISDBHSA-N 319.351 2.290 10 10 DECE Oc1cc2c(cc1CN1CC[C@H](CN3CCOCC3)C1)CCC2 742161388 INHNWUVBGOBQAD-OAHLLOKOSA-N 316.445 2.035 10 10 DECE CC1CCN(CCNC(=O)NCc2c(O)cccc2F)CC1 914074213 AITYSBRPOVXETH-UHFFFAOYSA-N 309.385 2.062 10 10 DECE N[C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cccc(F)c2O)C1 844912778 XFWYHOUKKQGAEM-BMFZPTHFSA-N 308.397 2.392 10 10 DECE COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(N)c1 1895006197 BARUHIZMERIQCF-LSDHHAIUSA-N 319.405 2.475 10 10 DECE O=C(O)[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 756339373 MLYJTOZQEHTJIZ-CQSZACIVSA-N 320.276 2.355 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2ncnn12 753807207 UQXGLJPLFVHHBQ-UHFFFAOYSA-N 323.400 2.458 10 10 DECE Cc1ccc([C@H](C)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(O)c1 927042046 UNFWBEDUDLISSK-FUDCBSFHSA-N 309.431 2.459 10 10 DECE COC(=O)COc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)cc1 753591605 MKZSPTYIBOJHCN-KGLIPLIRSA-N 307.390 2.490 10 10 DECE COCCN(Cc1ncc(C)cn1)c1ccc(OC)c(OC)c1 760863311 SGCBNZXWOHRSLR-UHFFFAOYSA-N 317.389 2.455 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)n1cccn1 935944978 GJSGAPIWMKHPPA-LBPRGKRZSA-N 308.378 2.342 10 10 DECE COc1ccc2ccc(O)c(CN3C[C@H]4C(=O)OC[C@H]4C3)c2c1 863338259 PPXJUFOLMGNOIQ-IUODEOHRSA-N 313.353 2.159 10 10 DECE O=C(N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F)c1c(F)ccc(O)c1O 1118832481 HISOXJGIOGACDO-BWZBUEFSSA-N 301.264 2.401 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2ncnn12 782163188 WLDLSEBVMHIZCZ-UHFFFAOYSA-N 309.373 2.068 10 10 DECE COCc1ncc2c(n1)CCN(Cc1cc(F)cc(F)c1O)C2 895417051 MWQCCYQPKDSMRL-UHFFFAOYSA-N 321.327 2.165 10 10 DECE CCOc1cccc(CNCC(=O)NCc2ccccc2)c1O 393457895 RAQLYVIRXRWYGN-UHFFFAOYSA-N 314.385 2.197 10 10 DECE NC(=O)C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F 792165446 QOUOCHDURRVXHJ-SECBINFHSA-N 300.761 2.415 10 10 DECE Cc1cccc(C)c1OCC(=O)NCc1ccc(O)cc1O 1162271878 UURRBDTZSYKEBW-UHFFFAOYSA-N 301.342 2.410 10 10 DECE Cn1cc(Br)c(C[S@@](=O)CCCN=[N+]=[N-])n1 1902035219 YDUNACNAABSTFU-INIZCTEOSA-N 306.189 2.132 10 10 DECE O=C(N1Cc2cccc(O)c2C1)[C@@]1([C@H]2CCCCO2)CCCO1 1347888879 HHOKAJJXXSZZTR-AEFFLSMTSA-N 317.385 2.353 10 10 DECE CC[C@H]1C[C@@](NCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 1912188634 QAGFVMGQLFRJNJ-HOCLYGCPSA-N 317.393 2.394 10 10 DECE CC(=O)C(=O)[C@](C)(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1919168125 WGKBUUGDSAFJAL-MLGOLLRUSA-N 313.394 2.075 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Cc2nccs2)C1 1640395990 SMHUYWVIRMADQT-LBPRGKRZSA-N 318.398 2.188 10 10 DECE Cc1ccc(C(N)=O)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 1570910618 MWSFEOJDPXWFKQ-DAXSKMNVSA-N 312.325 2.157 10 10 DECE CC(C)(C)OC(=O)NCCCONCc1cccc(O)c1O 1928526446 HWQHNIGQJISCKP-UHFFFAOYSA-N 312.366 2.034 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2cccc(O)c2O)C1 1931311977 ORAUVDQHNRJOCU-HAQNSBGRSA-N 308.378 2.243 10 10 DECE Oc1ccc([C@@H]2C[C@@H](c3ccc(O)c(O)c3)[C@@H](O)CO2)cc1 257467483 KTBMETYOQLNVNV-JQFCIGGWSA-N 302.326 2.410 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2O 1967768144 VGOROTJCMQMVPI-XKAARJIMSA-N 312.207 2.404 10 10 DECE O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1Cc1c(O)cccc1Br 2035665613 FRBVFKCZVZPJNB-SXMVTHIZSA-N 312.163 2.060 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CCC=C(Br)C3)ccc21 404414081 QOJGUBYVQFVMTG-GFCCVEGCSA-N 308.179 2.127 10 10 DECE Oc1ncc(CNCc2cc(Br)cc(F)c2O)[nH]1 715819675 YWGPGJQEIHOWOM-UHFFFAOYSA-N 316.130 2.012 10 10 DECE Oc1c(Br)cccc1CNCC12CCN(CC1)C2 716134623 AIPDOCIFJWRLAJ-UHFFFAOYSA-N 311.223 2.340 10 10 DECE CN1[C@H]2CC[C@H]1CN(Cc1ccc(Br)cc1O)C2 723685796 JDEOLLHWGBXPJF-STQMWFEESA-N 311.223 2.433 10 10 DECE CCS(=O)(=O)[C@H]1CCN(c2ccc(CNC)c(Cl)c2)C1 2179898585 IHCKBBDVWYESIM-ZDUSSCGKSA-N 316.854 2.073 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170636930 XHDGHQHXBNGIIW-GARJFASQSA-N 302.415 2.103 10 10 DECE Nc1ccc(CC(=O)N[C@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189232038 AKQIOYKIGJCDRJ-GHMZBOCLSA-N 304.337 2.364 10 10 DECE CN(C)c1ccc([C@H](N)c2ncc(Br)cn2)cc1 2044716920 BSFFQVGGVCDSCH-LBPRGKRZSA-N 307.195 2.353 10 10 DECE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ncccc1Br 2056519879 UPFXMVWLGOJDOA-JTQLQIEISA-N 314.143 2.044 10 10 DECE COC[C@@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 2220462271 JFNZQKVJUGZMTC-KWQFWETISA-N 316.195 2.288 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@]3(O)C[C@@H]3C2)c(Br)c1 2254120863 LIAPEUIGKSODFL-DRCTWCGVSA-N 311.223 2.430 10 10 DECE Cc1ccc(O)c(CNCCCS(=O)(=O)C(F)(F)F)c1 2286426373 CDIMNOGUEZLOPR-UHFFFAOYSA-N 311.325 2.115 10 10 DECE Cc1ccc(CN(CC(N)=O)C(C)C)c(O)c1Br 2327567135 ICCWEAPOPIXTQS-UHFFFAOYSA-N 315.211 2.159 10 10 DECE CCn1cn[nH]c1=NCc1ccc(C)c(Br)c1O 2327791295 ZGJNVLUGFKHLQM-UHFFFAOYSA-N 311.183 2.109 10 10 DECE CCn1[nH]c(Br)nc1=NCc1cccc(C)c1O 2328435751 GMKQMNOIDKIJLM-UHFFFAOYSA-N 311.183 2.109 10 10 DECE O=C(O)C=C1SC(c2cccc(Br)c2)=NC1=O 1951318727 FLJUYESZXXYTHY-UHFFFAOYSA-N 312.144 2.438 10 10 DECE CC(C)(C)OC(=O)N[C@H](CCc1ccc(O)c(O)c1)C(=O)O 1951401537 GMNFBAGNUQIROR-SNVBAGLBSA-N 311.334 2.008 10 10 DECE CN1CCc2cc(CN[C@H]3C[C@@H]3NC(=O)OC(C)(C)C)ccc21 227551575 WNODFZBTNOZUOJ-GJZGRUSLSA-N 317.433 2.434 10 10 DECE COc1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)c(O)c1 191754088 YORIEFYZBKRREQ-OAHLLOKOSA-N 319.430 2.424 10 10 DECE CN(C)c1ccc2c(c1)OCCN2Cc1cn(C(C)(C)C)nn1 191498571 TVFOUPVQZRSINO-UHFFFAOYSA-N 315.421 2.498 10 10 DECE CN1CCc2cc(CN(CC(=O)O)CC(F)(F)F)ccc21 92445611 RGZVMJOVNIVOAU-UHFFFAOYSA-N 302.296 2.128 10 10 DECE CCNCc1ccc(N2CC[C@H](CO)C2)cc1Br 233541367 BWGZDMLXGZDTKR-NSHDSACASA-N 313.239 2.377 10 10 DECE CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1cnn(C)c1 255315019 SKUSAMRAXJNGJZ-HJWRWDBZSA-N 307.357 2.282 10 10 DECE Cc1c(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)cnn1C 255134923 LYSDCDBWTCBMMI-DAXSKMNVSA-N 314.364 2.364 10 10 DECE CC(C)c1nnc2c(NCCc3ccc(O)c(O)c3)nccn12 811811044 KKBKTCVASRWPPP-UHFFFAOYSA-N 313.361 2.314 10 10 DECE CCOC(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 822678459 MUWBBURYKSUKKQ-UHFFFAOYSA-N 314.385 2.316 10 10 DECE CCOc1cccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O 824655725 ZLOVCAJHNSPKOG-BZUAXINKSA-N 321.417 2.153 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(O)s1 821192126 SNYSFYBQKXWSAV-UHFFFAOYSA-N 306.752 2.009 10 10 DECE C[C@@H](N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 722501635 GEEBGKDUDFRWQO-GHMZBOCLSA-N 324.377 2.299 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 828784836 NIHNJVXTWBDBMY-KLPPZKSPSA-N 304.350 2.130 10 10 DECE C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H]1CCCO1 831931572 RNRCXQJNZBKAIQ-OZVIIMIRSA-N 307.390 2.350 10 10 DECE Cc1cc(O)c(CNCCc2nnc3n2CCC3)c(Cl)c1 840873408 ATIAXPMQUMDCOW-UHFFFAOYSA-N 306.797 2.224 10 10 DECE CCN(CC)c1ccc(CNC2(C(=O)N(C)C)CC2)cc1F 840958771 SCSNZOIZSRXZQD-UHFFFAOYSA-N 307.413 2.382 10 10 DECE Cn1c2c(ccc1=O)[C@@H](NCc1ccc3c(c1)CCO3)CCC2 846109736 VLDWUNRXIQZETI-INIZCTEOSA-N 310.397 2.487 10 10 DECE C[C@H](NC(=O)CN1CSCCSC1)c1ccccc1O 913763947 WEVBUROJNZXPPZ-NSHDSACASA-N 312.460 2.266 10 10 DECE CO[C@](C)(CO)CN[C@@H](C)c1cc(Br)ccc1O 848558079 JOZAHFJXEZQQGY-ZANVPECISA-N 318.211 2.203 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)Cc3cccnc3)C2)cc1 855234444 ZZWYZOAGZSXLEE-OAHLLOKOSA-N 311.385 2.028 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NCC3CCC3)C2)cc1 851956937 HPPIPLVSYXGHJI-AWEZNQCLSA-N 303.406 2.373 10 10 DECE CC[C@H](COCC1CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 855283906 IJAJDAQCIQQSOK-IQCBXXCUSA-N 305.374 2.432 10 10 DECE O=C(O)[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 864519351 MAUSWXWPMHLSHW-SJORKVTESA-N 318.417 2.399 10 10 DECE CN(C)[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C1 385055309 DOJKNRMKJLZBKL-SNVBAGLBSA-N 316.218 2.187 10 10 DECE Cn1nc(C(F)(F)F)cc1C(=O)N1Cc2cccc(O)c2C1 871205192 QVNAOVMEPJAXKJ-UHFFFAOYSA-N 311.263 2.301 10 10 DECE NC(=O)C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F 792165449 QOUOCHDURRVXHJ-VIFPVBQESA-N 300.761 2.415 10 10 DECE Nc1ccc(CCC(=O)N(CC(=O)O)Cc2ccccc2)cc1 692447683 BZPKSOIWMHOVDB-UHFFFAOYSA-N 312.369 2.315 10 10 DECE CNc1nccc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] 1151885788 HMVHCPRCSFXHFW-SECBINFHSA-N 316.317 2.228 10 10 DECE C[S@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1303907929 MPIVEOUSSNZCCW-JOCHJYFZSA-N 323.345 2.463 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1Cc2ccc([N+](=O)[O-])cc2C1 1160908098 NBHGXJWPQXJLNQ-UHFFFAOYSA-N 318.260 2.301 10 10 DECE Nc1ccc(N2CCC(F)(F)[C@H](NC(=O)C(F)(F)F)C2)cc1 1887515540 IMCFFGZBMFWDNQ-SNVBAGLBSA-N 323.265 2.161 10 10 DECE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cccc(O)c1O 1902387676 FZNCOQUNVDTZMD-NSHDSACASA-N 315.325 2.213 10 10 DECE CC(C)C(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 1261887756 RCWYGLYAWRZWHQ-UHFFFAOYSA-N 316.401 2.129 10 10 DECE CC(C)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348608674 YYRHOBTXQSXTJZ-ZDUSSCGKSA-N 316.401 2.129 10 10 DECE C[C@@H](CO)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 1914355979 RONVAGJBUVAAFJ-AWEZNQCLSA-N 314.385 2.057 10 10 DECE COc1ccc(C(=O)NCc2c(O)ccc3ccccc23)nn1 1456309020 HELZPCWUCYKQSN-UHFFFAOYSA-N 309.325 2.274 10 10 DECE CCCCN[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1480240363 VACAKFMMZGZZFV-OKILXGFUSA-N 317.393 2.500 10 10 DECE CO[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 1627983168 WQKHEJYXFCNBPQ-ZDUSSCGKSA-N 301.342 2.085 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2cccnn12 1628860556 MFKWHZSAHKEYJT-UHFFFAOYSA-N 309.373 2.034 10 10 DECE C[C@]1(C(=O)NCc2c(O)cccc2O)OCCc2ccccc21 1635850606 PWMNQDTUBJTKIM-SFHVURJKSA-N 313.353 2.202 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccn2)nc1 1633599395 ZPXKWXLTTVRLNJ-UHFFFAOYSA-N 321.336 2.485 10 10 DECE Cc1c(NC(=O)c2cc3cc(O)c(O)cc3s2)nnn1C 1637950965 WGERZKBWDSKPJG-UHFFFAOYSA-N 304.331 2.002 10 10 DECE CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1 1630363978 XELCQSWCKILMQL-UHFFFAOYSA-N 319.386 2.206 10 10 DECE CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1632762369 ZVTVBTWKOWXLKJ-ZDUSSCGKSA-N 317.393 2.452 10 10 DECE C[C@@H](OCCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1633598779 AGXMUIYNZJDDIB-CYBMUJFWSA-N 315.369 2.362 10 10 DECE COC(=O)c1cccc(CC(=O)NCc2c(O)cccc2F)c1 1635360458 MJRSUEAUPLJMMI-UHFFFAOYSA-N 317.316 2.177 10 10 DECE CC(C)C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1637260820 QCDYJHMJRZPHSD-ZIAGYGMSSA-N 307.390 2.350 10 10 DECE CN(C)c1cc(C(=O)NCc2cccc(O)c2O)cc(Cl)n1 1644710838 LCACKCSLRWCEEL-UHFFFAOYSA-N 321.764 2.142 10 10 DECE O=C(CSc1cccc[n+]1[O-])NCc1cc(Cl)ccc1O 1640920244 MQCXRWMNJQLIGY-UHFFFAOYSA-N 324.789 2.088 10 10 DECE COc1cc(Cl)cc(CNC[C@@H]2COC(C)(C)O2)c1O 230208745 VCFOZOMXIYIALM-LLVKDONJSA-N 301.770 2.295 10 10 DECE COC(=O)c1cncnc1NCc1ccc2cccnc2c1O 1651959547 VKKDAPUMGGIWED-UHFFFAOYSA-N 310.313 2.129 10 10 DECE CCOC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 169813111 CQBDAKOEFMMEDG-AWEZNQCLSA-N 302.378 2.322 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)NCC1(CCO)CCC1 152515198 OAIHKUZNOWFSJM-UHFFFAOYSA-N 319.449 2.413 10 10 DECE C[C@@H]1CN(/N=N/c2ccc3c(c2)OCC(=O)N3C)C[C@@H](C)O1 1860488011 ZEUBLGFALXCWSL-WTSVKTTESA-N 304.350 2.150 10 10 DECE Cc1ccc(O)c(CNCCOCCNC(=O)OC(C)(C)C)c1 1939421500 RINYJQVSOVTVRI-UHFFFAOYSA-N 324.421 2.332 10 10 DECE COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c(N)c1 1977932628 BARUHIZMERIQCF-HUUCEWRRSA-N 319.405 2.475 10 10 DECE COc1cccc(CNC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1O 1978007543 CEYQWDARNBNMEQ-QWHCGFSZSA-N 322.405 2.404 10 10 DECE CN(c1ccc(N)cc1)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1O 1979131629 IXEOSRNLCAVGMZ-YUELXQCFSA-N 321.421 2.122 10 10 DECE COc1cc(N)c(N2CCCC[C@H]2C2(C)OCCO2)cc1OC 2145805639 NXMMXSVBYHCZKL-INIZCTEOSA-N 322.405 2.408 10 10 DECE C[C@@H](NCc1cccc(Cl)c1O)[C@@H]1CCCS(=O)(=O)C1 2146099432 DHQPFTMWNQPORO-ZYHUDNBSSA-N 317.838 2.349 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CC(N=[N+]=[N-])C1 1985100325 FNKNGNOMNJQMNR-WDEREUQCSA-N 323.397 2.401 10 10 DECE Cc1cccc(CNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)c1O 1994449651 IKNQXIRBESNVBZ-ZDUSSCGKSA-N 320.389 2.326 10 10 DECE CN[C@](CCSc1nccs1)(C(N)=O)c1ccccc1 168224272 RUQHGJZHJUUWIB-AWEZNQCLSA-N 307.444 2.226 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCS[C@H]4CC[C@@H]43)c(Cl)cc21 2152207571 RIKUIORGKPSYNG-DRZSPHRISA-N 309.822 2.376 10 10 DECE NC(=O)[C@@]1(NC2CC2)CCC[C@H](CSc2nccs2)C1 403965111 SRCCPOGQFXRDKS-IINYFYTJSA-N 311.476 2.402 10 10 DECE C[C@@H]1CN(C)C[C@H]1NCc1cc(Br)cc(F)c1O 722253166 LFNHUTWIYREONO-PRHODGIISA-N 317.202 2.334 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(F)c1 2170655407 CRPHWGGCGQUALC-VWYCJHECSA-N 303.399 2.137 10 10 DECE CCOC[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177385330 LMBQFBCJXWOEOX-LLVKDONJSA-N 302.777 2.180 10 10 DECE OCc1ccc(N2CCC3(CC(O)C3)C2)cc1Br 2053750789 GSBRVKSMBGMWRB-UHFFFAOYSA-N 312.207 2.293 10 10 DECE CNCc1ccc(N2C[C@H]3C[C@@H](C2)N(C)C3)cc1Br 2104392447 GMDGYYYIXOTDDQ-FZMZJTMJSA-N 324.266 2.309 10 10 DECE C[C@H](N[C@@H]1CCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1O 2206000478 NYQWRAKZSLFXIG-MRCXROJRSA-N 301.383 2.148 10 10 DECE Cc1ccc(CN(C)CC[S@@](C)=O)c(O)c1Br 2307460001 FHVRXPXWYJUVSJ-QGZVFWFLSA-N 320.252 2.273 10 10 DECE OCc1ccc(N2CCC3CC2(CO)C3)cc1Br 2314898706 YZKJDSOAGMGKFM-UHFFFAOYSA-N 312.207 2.293 10 10 DECE COC(C)(C)[C@](CSc1nccs1)(NC1CC1)C(=O)O 2366314912 WDVSYLVRYUDYDU-CYBMUJFWSA-N 316.448 2.236 10 10 DECE CCOC(=O)c1ccnc(NCc2cnc(SC)s2)n1 2366913878 LDDKKMAYAXUTLE-UHFFFAOYSA-N 310.404 2.444 10 10 DECE CC[C@H](C)C[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 88293273 FVRJISCKDAHJJL-QWHCGFSZSA-N 314.451 2.392 10 10 DECE CC1(C)OC[C@H](CNCc2cc(Br)ccc2O)O1 232821477 IMUTYVPSWMYLKJ-NSHDSACASA-N 316.195 2.396 10 10 DECE C[C@H](C(=O)NCc1cc(Br)ccc1O)n1cccn1 804734268 HAGQCBZDGMRUJG-SECBINFHSA-N 324.178 2.229 10 10 DECE COc1cc(NC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1 586736734 NCEPESCQTPEVDO-UHFFFAOYSA-N 305.286 2.073 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1c1c(O)cccc1O 1952607193 IPFWEQQXALDWQF-HZMBPMFUSA-N 308.378 2.497 10 10 DECE CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 912292957 QVUOSSKYLNVBBY-SWFLQVRRSA-N 318.417 2.107 10 10 DECE CC(C)(C)OC(=O)N[C@]1(c2c(O)cccc2F)C[C@@H]1C(=O)O 1952772691 OKGMNLJOMKLABW-ANRSDYALSA-N 311.309 2.356 10 10 DECE CC[C@H](C(=O)O)N(C)Cc1cccc(Br)c1O 844939016 YGNPQWHKYUORKV-SNVBAGLBSA-N 302.168 2.450 10 10 DECE CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 852698388 JJXFKCNFIVKKLO-MRXNPFEDSA-N 303.450 2.489 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)C2)cc1 855227230 XCYMHUHXQFZXCF-AYMQEEERSA-N 318.417 2.204 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)OCC(F)(F)F 931532496 HDASFAUZVQLSIB-UHFFFAOYSA-N 304.312 2.449 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2nccn2C1 862026038 FJCBISIMGWQQOB-AWEZNQCLSA-N 322.368 2.016 10 10 DECE COC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1F 1137535932 KSHXPSAVZRQPEO-LBPRGKRZSA-N 309.318 2.237 10 10 DECE CCOc1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1 790618921 LDINLIMRNIEBGK-XJKSGUPXSA-N 311.422 2.039 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)[C@H](C)OC)cc1C 1320362678 QAJZLNBPRJYDJT-KBPBESRZSA-N 308.422 2.023 10 10 DECE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCCC2(CC1)CC2 1348668065 XKNKTWJKUALMBJ-UHFFFAOYSA-N 314.385 2.027 10 10 DECE CCc1nnc(N(C)OC)n1CCCSc1nccs1 1513811252 UVOLGTSLCOBELI-UHFFFAOYSA-N 313.452 2.477 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCOc2cc(F)ccc21 1543558144 WMDSPQYUBVDUEK-UHFFFAOYSA-N 303.289 2.205 10 10 DECE O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(O)cc1O 1626837896 JMLQKSPMIXFVER-UHFFFAOYSA-N 316.313 2.255 10 10 DECE COCC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 1637296340 FFQHCGFDYJLFTK-UHFFFAOYSA-N 307.390 2.353 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)CC1 1934374829 ANPXVFLIVLCINL-LBPRGKRZSA-N 313.361 2.447 10 10 DECE CO[C@H]1CN(c2ccc(CO)c(Br)c2)C[C@@H]1F 1942646979 CHHSPEDCKIPMDB-RYUDHWBXSA-N 304.159 2.115 10 10 DECE [N-]=[N+]=NCCCN1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2 1962288294 UPLSTNWRJRUGRQ-GUBZILKMSA-N 305.304 2.218 10 10 DECE CC[C@H](NCc1c(Br)ccc(OC)c1O)[C@@H](C)O 1964041365 BGZHZDINVCBNAA-KCJUWKMLSA-N 318.211 2.412 10 10 DECE COc1ccc(S(=O)(=O)N(C)Cc2ccc(N)cc2)s1 2153326892 BQQHHZHIBZKRCD-UHFFFAOYSA-N 312.416 2.160 10 10 DECE Oc1ccc(CCNc2cnc(Br)cn2)cc1O 2031083695 RNYQCPPMTXNUNY-UHFFFAOYSA-N 310.151 2.305 10 10 DECE COc1ncc(S(=O)(=O)Nc2cc(C)c(O)cc2C)s1 313098049 NFNSNDPVHFWXKZ-UHFFFAOYSA-N 314.388 2.275 10 10 DECE OCc1ccc(N2CC(OCC(F)F)C2)cc1Br 687948243 ZQHNKEHJTSLUEG-UHFFFAOYSA-N 322.149 2.412 10 10 DECE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)CC(F)(F)F 396974153 CQCVRZXPRDUQGY-VIFPVBQESA-N 310.341 2.277 10 10 DECE CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(O)c(O)c2)C1 2065006865 LLBBWPPSEAEEHN-LLVKDONJSA-N 306.362 2.075 10 10 DECE CS(=O)(=O)c1cnn(Cc2ccc(Cl)cc2O)c1Cl 2070244798 NJGTVPRAFSDDMT-UHFFFAOYSA-N 321.185 2.347 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@H](C)N)cc1F 2170563383 ZKXVXBBHHTZUBT-MNOVXSKESA-N 302.415 2.105 10 10 DECE OCc1ccc(N2C[C@@H](O)C3(CCC3)C2)cc1Br 2046457465 GBGYJVYNPZVEGM-CYBMUJFWSA-N 312.207 2.293 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCC1(Br)CCC1 2049234591 FJVCTARAIYCPPL-UHFFFAOYSA-N 314.179 2.074 10 10 DECE CN(C1CC1)C1CN(c2ccc(CN)c(Br)c2)C1 2052836320 SGBXBKSBWPCMLF-UHFFFAOYSA-N 310.239 2.191 10 10 DECE OCc1ccc(N2CC[C@H](O)[C@H]2C2CC2)c(Br)c1 2067007146 HSRWKAXZLCDLSC-UONOGXRCSA-N 312.207 2.291 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCn2cnnc2C1 2236546381 CPAZJHISNMFMEC-SNVBAGLBSA-N 313.188 2.395 10 10 DECE C[C@@H](Oc1cccc(C=C2SC(=S)NC2=O)c1)C(=O)O 2294871973 JUDFYCFIZZOUMG-SSDOTTSWSA-N 309.368 2.027 10 10 DECE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)CN1CCCCC1 2307986759 YSUZXBRFVWYQIG-CQSZACIVSA-N 318.417 2.349 10 10 DECE CN[C@H](C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327598668 GKMSRBUAVLNYIN-SECBINFHSA-N 315.211 2.029 10 10 DECE Nc1ccc(CCNC(=O)c2cc3ccccc3[nH]c2=O)cc1 179042949 JQCHRNHEZNFHGY-UHFFFAOYSA-N 307.353 2.083 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@](C)(c2ccc(O)cc2O)C1 1952061472 JCVDPCHNMVUORN-INIZCTEOSA-N 308.378 2.153 10 10 DECE C[C@H]1CCC[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 70490589 WOCAZJJMJGNKSM-GXTWGEPZSA-N 312.435 2.146 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@@H]2OCCC[C@@H]21 187048312 INEDIEXGYWDBFA-KURKYZTESA-N 302.418 2.180 10 10 DECE CN1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1=O 191662715 KCXQDBCRQRRUQD-UHFFFAOYSA-N 303.189 2.363 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CCCS1(=O)=O 133970223 VMZHIXFZTWGZKP-AGIUHOORSA-N 309.431 2.416 10 10 DECE C[C@@H](CNCc1ccc(O)cc1O)N(C)C(=O)OC(C)(C)C 381300146 CYPXGZYRFPEQQX-NSHDSACASA-N 310.394 2.443 10 10 DECE CCN1CCN(c2ccc(CN)c(Br)c2)C[C@@H]1C 228152696 NKIBHTZVSICHMO-NSHDSACASA-N 312.255 2.438 10 10 DECE COC(=O)[C@@H]1CCN[C@@H](c2ccc(Br)cc2O)C1 1952455932 ISAVNNFTKRHADZ-LDYMZIIASA-N 314.179 2.368 10 10 DECE COc1cccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O 92096771 KQTODKKALIIWHI-QLFBSQMISA-N 307.390 2.169 10 10 DECE CC(C)(CNCc1ccc2c(c1)CCO2)C(=O)N1CCCC1 527809112 JEBBCZZEJXTZJU-UHFFFAOYSA-N 302.418 2.360 10 10 DECE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC1CCOCC1 254936888 RKZPQJQVAYEHSW-UTCJRWHESA-N 317.385 2.259 10 10 DECE CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC2CC2)cc1 267270181 YJTCGYVYYALZGK-UHFFFAOYSA-N 308.447 2.457 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nnn1CC 294654677 HUHGHQPMYACTKR-UHFFFAOYSA-N 315.421 2.335 10 10 DECE Cc1cc(F)c(O)c([C@H](C2CCOCC2)N2CCNCC2)c1 575274862 SHKNQQFXGFRMFV-INIZCTEOSA-N 308.397 2.213 10 10 DECE C[C@@H]1CC[C@H](O)CN1Cc1ccc(Br)cc1O 826131391 SDESJWIDPADYCZ-SKDRFNHKSA-N 300.196 2.500 10 10 DECE CC1(C)C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 837709377 UDVQPPRHVTVIKV-LBPRGKRZSA-N 324.371 2.464 10 10 DECE Oc1ccc(Br)cc1CN(C1CC1)[C@@H]1CCNC1 843056344 YLPSWGFBDRUKPJ-CYBMUJFWSA-N 311.223 2.481 10 10 DECE CN(C)c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1F 843414834 OKMXQWCWXVGCKU-CQSZACIVSA-N 315.396 2.368 10 10 DECE CO[C@](C)(CO)CN[C@H](C)c1ccc(Br)cc1O 848559304 RYAKVEBQGPIFGZ-RNCFNFMXSA-N 318.211 2.203 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1C 924760158 OJUSFDJOQXNREB-GDZNZVCISA-N 322.424 2.300 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]([C@H]2CCCO2)C1 924461849 SFGDIJNTYCWZMB-KUVDPZLZSA-N 303.358 2.139 10 10 DECE COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccc(OC)c2O)C1 775347771 FZKIDKQIWMWFHS-TZMCWYRMSA-N 322.405 2.357 10 10 DECE CN1C[C@@H]2CN(c3ccc(CN)cc3Br)C[C@@]2(C)C1 702279318 VZOLUODYTCSELT-IUODEOHRSA-N 324.266 2.296 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)ccc1OCCO 790926295 KPKKADNJRZKZHI-UHFFFAOYSA-N 303.314 2.030 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc2c1OCC2 1303989668 DIIOKFSSIMPVJX-ALCCZGGFSA-N 311.337 2.362 10 10 DECE COc1cc(CN2CCC[C@@](O)(CO)C2)c(O)c(C(C)(C)C)c1 1261676978 AXGGLTFGCSBVAR-SFHVURJKSA-N 323.433 2.018 10 10 DECE C[C@H](NC(=O)N[C@@H]1CC[C@H]2CN(C)C[C@H]21)c1ccccc1O 1346660512 OPGJECSRYNGTLL-DDHJSBNISA-N 303.406 2.093 10 10 DECE CCN(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351808812 DVAWLHSEFVNUKI-UHFFFAOYSA-N 324.380 2.283 10 10 DECE COc1ccc(/C=C2/SC(=S)N(CCN(C)C)C2=O)cc1 214006569 XGHNDQHUGBKEJV-JLHYYAGUSA-N 322.455 2.458 10 10 DECE O=C1Nc2cc(N(Cc3ccccc3)C3COC3)ccc2[C@H]1O 1915734799 JYIUJRKRKSSSDR-QGZVFWFLSA-N 310.353 2.078 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc(-c2ccccn2)nc1 1471642248 PDEKSQXXQPORHH-UHFFFAOYSA-N 321.336 2.485 10 10 DECE Nc1cc(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1 1622753320 QQXBCLMZVSEREB-UHFFFAOYSA-N 306.749 2.306 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2[nH]cnc12 1628793619 QDAKGUULLFBARU-UHFFFAOYSA-N 309.373 2.296 10 10 DECE Cn1nc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1Cl 1630307355 UYPBTEKEQDGSTP-UHFFFAOYSA-N 316.144 2.068 10 10 DECE CC(C)CCO[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1585928374 GEQQDVVSLIDNTL-CQSZACIVSA-N 307.390 2.304 10 10 DECE Nc1ccc(CCNC(=O)c2cnn(Cc3ccccc3)c2)cc1 152521638 DVFQYBHWPKJZDQ-UHFFFAOYSA-N 320.396 2.486 10 10 DECE C[C@@H](NCCn1ccnc1)c1ccc(N2CCC(O)CC2)cc1 155638378 ZFCIVFIQVYKJDJ-OAHLLOKOSA-N 314.433 2.195 10 10 DECE CC(C)(C)OC(=O)NCCO[C@H]1CCN(CCCN=[N+]=[N-])C1 1962287776 NBCQOPJOSQVGJQ-LBPRGKRZSA-N 313.402 2.302 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])C2(CCC2)C1 1965101386 CEAZXMXENLCPCN-LLVKDONJSA-N 323.397 2.450 10 10 DECE N[C@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@H]3C4)c(Br)cc21 252614087 XUAJKKHZVOTAGV-UVPNAGLESA-N 322.206 2.390 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)[C@@H]2C1 1985093760 FDFIUUNIOOCYHZ-WISYIIOYSA-N 321.381 2.011 10 10 DECE N[C@H]1CC(C(=O)N(Cc2ccccc2)c2ccccc2)=C[C@@H]1O 1987699426 REXLGTZNXRGTFI-ROUUACIJSA-N 308.381 2.238 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)cc1Cl 2153849028 OJBINRHOXSEXKL-RNCFNFMXSA-N 316.854 2.372 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1nnc(Br)s1 2011527939 IXHIDHLNVHMQDE-RXMQYKEDSA-N 317.172 2.216 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@]12CCNC2 2028126257 RWOIXYCHDFGCDQ-CQSZACIVSA-N 311.223 2.483 10 10 DECE CC1(C)[C@@H](O)CCN1c1ccc(CN)c(Br)c1F 310785441 COBFFXQDXVTWLA-JTQLQIEISA-N 317.202 2.397 10 10 DECE C[C@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Cl 312771874 ZOBZALNXVRKWIS-JQWIXIFHSA-N 316.854 2.373 10 10 DECE O=C(Nc1ccc(O)c(O)c1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 2064603093 CJOFJEMGNRXOPB-WYUUTHIRSA-N 317.263 2.392 10 10 DECE Cc1ccc([C@H](C)n2ncc(C(=O)NC3CC3)c2O)c(O)c1 2070494349 JHVZBLJJMGOHIP-JTQLQIEISA-N 301.346 2.104 10 10 DECE COc1ccc([C@@H](C2CC2)n2nc(C)c(C=O)c2N)c(O)c1 2079955522 BPMKILKLZLQDKF-OAHLLOKOSA-N 301.346 2.300 10 10 DECE CO[C@H]1C[C@H](CF)N(c2ccc(CN)cc2Br)C1 2069980514 JWOZALAJOGNTBU-MNOVXSKESA-N 317.202 2.471 10 10 DECE C[C@H](N)c1ccc(N(C)CCn2cncn2)c(Br)c1 2113773333 BIHDFXPRPHOSFB-JTQLQIEISA-N 324.226 2.197 10 10 DECE Nc1ccc(OCCC(=O)NC[C@@]2(Cl)CC2(F)F)cc1 2205574992 SUFPPYJAHQXDKM-LBPRGKRZSA-N 304.724 2.171 10 10 DECE COc1ccc(N2CC[C@@H](O)[C@@H]2C)c(OC)c1Br 2219377799 AZUUGFMJKUPGAB-WCBMZHEXSA-N 316.195 2.426 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CNC[C@@H]1F 2320553998 XKIFLIZEXXSCGT-WDEREUQCSA-N 321.165 2.036 10 10 DECE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCCO 4736881 WQUWKAZIUUCGJH-RVDMUPIBSA-N 305.353 2.184 10 10 DECE CC(C)OC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 6737152 VPYATBFSSZQFHV-UHFFFAOYSA-N 305.403 2.432 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OC[C@H]1CCOC1 50819716 OVPYTYAFTNUXOT-LBPRGKRZSA-N 300.314 2.444 10 10 DECE Cc1cc(C(=O)CN2CC[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 114723488 BGTZPJANQIRHNR-MRXNPFEDSA-N 316.376 2.483 10 10 DECE COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(OC)c1C2=O 14760823 MMJVMCYKOLNSBU-UHFFFAOYSA-N 314.293 2.199 10 10 DECE biogenic C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@@H](C)S1 2365734465 PZTLOOKZUJVRMF-GNXNZQSNSA-N 314.476 2.361 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(C#N)n(C)c1 191193168 SWACHNAQDUKGTM-UHFFFAOYSA-N 324.428 2.365 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2COC)cc1 293055750 MQNUTWZZOGVWRE-INIZCTEOSA-N 305.422 2.463 10 10 DECE CC(C)[C@](C)(CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 812054179 FRKNSBGNBYDPPR-SFHVURJKSA-N 317.433 2.269 10 10 DECE C[C@H]1CN(c2ccc(CNC(=O)CCF)cc2F)C[C@H](C)O1 900269512 PQPREIVTJXWZPI-RYUDHWBXSA-N 312.360 2.415 10 10 DECE C[C@H]1CCCN(CCNC(=O)NCc2c(O)cccc2F)C1 914075678 FJDYCVUVZQTYEM-LBPRGKRZSA-N 309.385 2.062 10 10 DECE CC(C)(CNCc1cc(Cl)c(F)cc1O)[C@]1(O)CCOC1 843428882 PYIBHONREHIKLM-HNNXBMFYSA-N 317.788 2.452 10 10 DECE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCc2ccccc21 846321874 HFOUICCMJRHJIW-CYBMUJFWSA-N 323.396 2.396 10 10 DECE COc1cc(CN2CCC3=C(CCC(=O)N3)C2)c(O)cc1C 853519090 BQLJTKXAIOVGHO-UHFFFAOYSA-N 302.374 2.079 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 868911233 NFAUQDCVUHOTDM-UIQMYNOKSA-N 322.792 2.268 10 10 DECE CN1C(=O)CCc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc21 871203841 SWLCEGLINCHCJB-UHFFFAOYSA-N 322.364 2.457 10 10 DECE CCO[C@H]1COCC[C@@H]1Cc1nc(Cc2ccc(N)cc2)no1 872170081 CBLRMECEJBFNTC-HIFRSBDPSA-N 317.389 2.227 10 10 DECE COC(=O)/C=C\c1ccc(N2CCCOC[C@H]2C)c([N+](=O)[O-])c1 772912481 TXALUCYVXRSKCL-SMYYYNMVSA-N 320.345 2.396 10 10 DECE COc1ccc(O)c(CNC(=O)c2cc(O)ccc2OC)c1 780935866 NPLRKOFIGWRLOK-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CO[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F 787465492 VUYFUNPXOYDPAZ-FHMRSRPSSA-N 319.279 2.195 10 10 DECE Cc1cc(C)n(CC(=O)Nc2c(Cl)ccc3nonc23)n1 1128607897 XSNVRBSZGDNSPC-UHFFFAOYSA-N 305.725 2.328 10 10 DECE COc1ccc(CCNCc2ccc(O)cc2O)cc1OC 76271277 JTIYORKDKUFSIF-UHFFFAOYSA-N 303.358 2.447 10 10 DECE Cn1cc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)cn1 1130638224 GMTYQZYQOOSOPH-IHWYPQMZSA-N 305.284 2.137 10 10 DECE C[C@H](O)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(F)c1 713923887 NKVBTLAZJMCHFO-JTQLQIEISA-N 303.399 2.138 10 10 DECE Cc1nnc(CNCc2cc(Br)cc(F)c2O)o1 715746474 WHDVOTZOPLXAJB-UHFFFAOYSA-N 316.130 2.275 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(C)(C)CC1 1326696904 YKFWMCWRWXCZCC-UHFFFAOYSA-N 318.417 2.436 10 10 DECE Cc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1C 1444804596 BQVGMUSPTFVYCR-UHFFFAOYSA-N 311.341 2.474 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC(Cc2ccsc2)C1 1454009520 WZRYCBHIOZZGMA-UHFFFAOYSA-N 303.383 2.403 10 10 DECE CNC(=O)[C@@H](C)N(C)c1ccc([C@H](C)N)cc1Br 1916817236 ZUZOOONQMDOXRD-DTWKUNHWSA-N 314.227 2.040 10 10 DECE Cc1cc2ncc(C(=O)NCc3c(O)cccc3F)c(C)n2n1 1456093826 OKERQIIGLIAFSV-UHFFFAOYSA-N 314.320 2.121 10 10 DECE CN[C@H](c1ccccc1O)[C@@](C)(O)CCNC(=O)OC(C)(C)C 1920597934 RCVHIFOVQWUASE-PBHICJAKSA-N 324.421 2.319 10 10 DECE Cc1cncc(N(Cc2ncc[nH]2)C(=O)/C=C\c2cn(C)cn2)c1 1544415195 ISLDUDSDERJIHM-ARJAWSKDSA-N 322.372 2.093 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)c2cocn2)cc1C 1482817325 URFQWOVPEZHGRG-ZDUSSCGKSA-N 317.389 2.290 10 10 DECE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c(O)cccc1F 1646028345 GFXGVDDIOYFIAK-QFYYESIMSA-N 317.316 2.376 10 10 DECE Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(F)F)n1 1640906423 CTGCRBGXIVZMNN-HWKANZROSA-N 309.272 2.421 10 10 DECE COc1cccc(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1652299014 YLZRITFSVBRSLK-UHFFFAOYSA-N 320.276 2.378 10 10 DECE COC[C@@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1929905848 HJNZPJWCUVZRCO-DGCLKSJQSA-N 310.394 2.322 10 10 DECE CCC/C=C/[C@@H](O)C(=O)NCc1ccc2c(c1)CCCN2C 1597854770 KUJMFDKZAPOMGG-ZGRWHYIRSA-N 302.418 2.402 10 10 DECE COc1c(O)c(O)c2c(=O)c3cccc(OC)c3oc2c1OC 14648827 YAOIPDMFKSPNGF-UHFFFAOYSA-N 318.281 2.383 10 10 DECE Oc1ccc([C@@H]2C[C@H](c3ccc(O)c(O)c3)[C@@H](O)CO2)cc1 14696045 KTBMETYOQLNVNV-COXVUDFISA-N 302.326 2.410 10 10 DECE biogenic CN[C@H](c1ccccc1O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 1936972497 GGIRCZRVRYDZAV-UMVBOHGHSA-N 322.405 2.192 10 10 DECE Nc1ccc(N(C(=O)CNC(=O)c2ccccc2)C2CC2)cc1 1857926805 BKMHLLHNRCWHJU-UHFFFAOYSA-N 309.369 2.194 10 10 DECE C[C@@H]1CN(CCCCN=[N+]=[N-])CC[C@@H]1NC(=O)C(F)(F)F 1962302966 DPSLMDMYSWLKFU-ZJUUUORDSA-N 307.320 2.466 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)CC[S@]1=O 1970337313 BLQMIFWKKUDPIJ-HUTHGQBESA-N 318.236 2.108 10 10 DECE CCC(=O)NCCCNCc1cccc(Br)c1O 2040873845 HHXNRRQXNVHCFJ-UHFFFAOYSA-N 315.211 2.161 10 10 DECE C[C@H](CNCc1cc(Br)cc(F)c1O)N1CCC1 2041307077 JIUUNMZRLYONPS-SECBINFHSA-N 317.202 2.478 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc([C@H](C)O)cc1F 2170164984 USQGDIPVYSFRAE-NSHDSACASA-N 303.399 2.140 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@@H]2NCC[C@@H]2C1 691488835 TUWHOZAOEKAQJB-MFKMUULPSA-N 311.223 2.339 10 10 DECE CCS(=O)(=O)[C@H]1CCN([C@H](C)c2cc(F)ccc2O)C1 2179904458 HBDLNYVYUUXEHS-PWSUYJOCSA-N 301.383 2.101 10 10 DECE C[C@H](NCc1ccc(Br)cc1O)[C@@H]1C[C@H]1C(=O)O 2054517953 MBYKWPUYMJOEKX-BKDNQFJXSA-N 314.179 2.354 10 10 DECE CNCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1Br 2309930876 LYSILTRDPCZVCP-CUOATXAZSA-N 311.223 2.128 10 10 DECE OC[C@](CSc1nccs1)(NC1CC1)[C@@H]1CC1(F)F 2352090300 LNGFVJGWYBIKOH-GXSJLCMTSA-N 306.403 2.374 10 10 DECE CCO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CN 405826553 YFDWGXHMESKVHT-ZWNOBZJWSA-N 319.232 2.495 10 10 DECE Nc1ccc(CS(=O)(=O)Nc2cccc3[nH]ncc23)cc1 40315408 LOVKZQZRNLBJGX-UHFFFAOYSA-N 302.359 2.087 10 10 DECE Cc1cc(C(=O)NCc2ncn(C)n2)c(C)n1-c1ccccc1 91888624 ZSXBVSPQAZBVDV-UHFFFAOYSA-N 309.373 2.153 10 10 DECE Nc1ccc(-n2nccc2NS(=O)(=O)C2CCCC2)cc1 97834780 AXZQGERUJNZQCV-UHFFFAOYSA-N 306.391 2.139 10 10 DECE COc1ccc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)cc1F 290461795 WMQZHBUEMBDDJM-MRXNPFEDSA-N 310.413 2.363 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C(C)C)[C@@H]2CCOC2)c1O 291327667 UFTCWGSIJCEOEF-GFCCVEGCSA-N 310.350 2.308 10 10 DECE CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 838030508 TUKBPXNJICFEMX-DZGCQCFKSA-N 323.412 2.194 10 10 DECE CCOC(=O)c1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 586737580 PEOPQIVGFRIJER-UHFFFAOYSA-N 312.369 2.304 10 10 DECE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 835052493 DOFOWQJFWRHJIF-GXMNPTEKSA-N 322.474 2.321 10 10 DECE Cc1cc(C)c(CNC(=O)NCc2c(O)cccc2F)c(O)n1 913949810 ZRYCMKTWXTWFAL-UHFFFAOYSA-N 319.336 2.248 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cc(O)nc(O)c1 1952608589 QVPQTTSAUPXFPN-NSHDSACASA-N 308.334 2.134 10 10 DECE COC[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)OC 849680250 PRCVKYXWJOOTEX-CQSZACIVSA-N 318.373 2.307 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1NCCCC1(C)C 844186612 LHJXCXITNIPXNK-MRXNPFEDSA-N 303.450 2.455 10 10 DECE COc1cccc(O)c1CN[C@@H]1CCCc2c1ccc(=O)n2C 846108113 NWGPCRSPIDEKJX-CQSZACIVSA-N 314.385 2.267 10 10 DECE C[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1cc(Cl)ccc1O 927146373 NQTQUTJJFSOJEI-KOLCDFICSA-N 306.797 2.382 10 10 DECE COc1ccc(N2CCN(C(=O)/C=C/c3ccccn3)CC2)cc1 47517457 WRTKGGPKBMUUEF-BJMVGYQFSA-N 323.396 2.452 10 10 DECE CN(C)c1ccc(CNCCC2CCS(=O)(=O)CC2)cc1 768649731 IGRDKURYCKAPHP-UHFFFAOYSA-N 310.463 2.057 10 10 DECE C[C@H](NC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1O 868299221 XSNAPXIGSFPSMZ-UONOGXRCSA-N 322.405 2.196 10 10 DECE Cc1cc(Cl)cc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O 776221908 XEPKJNAAFBNFDI-FZQKWOKYSA-N 308.809 2.453 10 10 DECE CC1(C)CC(=O)NCCN1Cc1cc(Cl)c(F)cc1O 895400916 ZZAMAXWHYVFKAP-UHFFFAOYSA-N 300.761 2.285 10 10 DECE CCN(CCCO)Cc1c(C(=O)OC)n(C)c2ccc(F)cc12 894055936 WXRIZJZMIXJERL-UHFFFAOYSA-N 322.380 2.308 10 10 DECE CCOC(=O)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 895615930 RFBUTDCZGYSMDT-UHFFFAOYSA-N 323.370 2.386 10 10 DECE COC[C@@H](NCc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 895859653 UZZGEEQKFYJYCA-DZGCQCFKSA-N 309.406 2.240 10 10 DECE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(F)cc1O 723884825 ZXGFLRAJKBFGOS-SNVBAGLBSA-N 303.399 2.253 10 10 DECE CS(=O)(=O)CC1CCN(Cc2cc3c(cc2O)CCC3)CC1 793724355 CNGMOUOBIUVTFZ-UHFFFAOYSA-N 323.458 2.138 10 10 DECE CCCCN1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1142627544 QOAHAGFOYOMVAN-OAHLLOKOSA-N 320.433 2.411 10 10 DECE COc1ccc(Br)c(CNC2(C)COC2)c1O 1964575552 GWMGGDOSVCBPFP-UHFFFAOYSA-N 302.168 2.042 10 10 DECE C[C@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)c(Cl)c1 694121460 UVNFZELOIKLKBJ-CMPLNLGQSA-N 316.854 2.373 10 10 DECE CCN(Cc1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 1657203368 JNCZCRMVDSJFCT-GFCCVEGCSA-N 303.811 2.055 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1331105597 GDUGDKDIUFHBOW-WOPDTQHZSA-N 311.328 2.438 10 10 DECE Nc1c(F)cc(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1 1445937317 KFYUVBZBSYFMDA-UHFFFAOYSA-N 324.739 2.445 10 10 DECE CCN(Cc1ccc(Cl)cc1O)[C@H](C)CS(C)(=O)=O 1621182009 QMYCFWVZMIFWMW-SNVBAGLBSA-N 305.827 2.301 10 10 DECE O=C(NCc1nc(-c2ccccc2)no1)c1cccc(O)c1O 1567426655 LRPSQYRDCSXAOC-UHFFFAOYSA-N 311.297 2.078 10 10 DECE CN[C@H](COCCNC(=O)OC(C)(C)C)c1ccccc1O 1928473955 HJQYTNNSZPPRAR-CYBMUJFWSA-N 310.394 2.194 10 10 DECE Cc1nn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)o1 1652955085 MMTAZDLKJCKLDX-UHFFFAOYSA-N 311.341 2.435 10 10 DECE COc1ccc(O)c([C@H](C)Nc2nc(N)nc(Cl)c2N)c1 1655107571 XSJPZPREAKKLBM-LURJTMIESA-N 309.757 2.182 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCO[C@@H]3C)c(Cl)cc21 159711056 ZQQPAXAZMLLDBM-RGZBUGHASA-N 309.797 2.166 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@@H](C[C@@H](N)c2ccccc2O)C1 1936986437 HWFNVQHZQUDZPW-GXTWGEPZSA-N 322.405 2.418 10 10 DECE C[C@H](c1ccccc1O)N(C)CCS(=O)(=O)C(F)(F)F 2143448206 CISNALYMPQURFN-SECBINFHSA-N 311.325 2.320 10 10 DECE Nc1ccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 1977897406 QTCQVGZRSGLWTP-GFCCVEGCSA-N 315.339 2.159 10 10 DECE CC(C)(C)OC(=O)N1CCN(Cc2cc(N)ccc2O)[C@H]2C[C@H]21 1977928108 XYIIBWNOQDXFNL-UONOGXRCSA-N 319.405 2.168 10 10 DECE CC(C)(C)OC(=O)N1CCN(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1 1985100313 FIINNYIVPDDXAM-LLVKDONJSA-N 324.385 2.044 10 10 DECE C[C@@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(Cl)c1 2151283927 YQURTHKQCIVDBV-PWSUYJOCSA-N 316.854 2.373 10 10 DECE CN(CC(F)(F)Br)C(=O)c1ccc(O)c(O)c1 2006277654 FCCIWUMUFNOPEG-UHFFFAOYSA-N 310.094 2.158 10 10 DECE Oc1ccc(Br)cc1CNCC[C@H]1C[C@@H](O)C1 2017007884 DHGSHHYLXIAGQP-WVSHTKLVSA-N 300.196 2.405 10 10 DECE Nc1cc(O)ccc1NS(=O)(=O)c1ccsc1Cl 2032675621 SWBBYFUQKBSEQR-UHFFFAOYSA-N 304.780 2.490 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2ncnn2C)c(Br)c1 707664167 BVLALGXITHVBJQ-SECBINFHSA-N 324.226 2.234 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)CCC[C@@H]3C)c2n1 2064495555 CPNBAOSYVBSDJL-JQWIXIFHSA-N 302.378 2.394 10 10 DECE CNC(=O)c1cc(C2CCC2)nn1Cc1cc(OC)ccc1O 2070059320 UDHXSUOOMPZOKH-UHFFFAOYSA-N 315.373 2.273 10 10 DECE CCS(=O)(=O)[C@H]1CCN(c2ccc([C@H](C)O)c(Cl)c2)C1 2179901139 YJZQFDAZYAUJLE-JQWIXIFHSA-N 317.838 2.407 10 10 DECE Cc1nnc(CN(C)c2ccc(CO)cc2Br)o1 2051781414 GKWRRZHCRIDYEZ-UHFFFAOYSA-N 312.167 2.269 10 10 DECE Nc1ccc(CCOCCn2cc(Br)cn2)cc1 2056190512 ZLNDZRNHRQKJEQ-UHFFFAOYSA-N 310.195 2.487 10 10 DECE Cc1nn(C)c(Br)c1CNCc1ccccc1O 2065913748 GTRUZNZRJRMLTF-UHFFFAOYSA-N 310.195 2.486 10 10 DECE CCn1nnc(Br)c1N(C)Cc1ccccc1O 2072451971 BOIQJVLWDBWAPF-UHFFFAOYSA-N 311.183 2.403 10 10 DECE CCc1ccc(C=C2SC(N3CCN(C)CC3)=NC2=O)cc1 2293653453 KHTUSKGHRUIAKM-UHFFFAOYSA-N 315.442 2.467 10 10 DECE Cc1ccc(CN2CC[C@@H]3C[C@@]3(O)C2)c(O)c1Br 2327620551 FCLINCCDTCBLOF-BXUZGUMPSA-N 312.207 2.420 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@H]3COCC[C@@H]32)c1 178585989 RODRGSYPHDEASJ-JSGCOSHPSA-N 310.375 2.007 10 10 DECE C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCOCC2)cc1 178309754 YMKKELABZRYPTQ-LIRZEXBASA-N 302.418 2.494 10 10 DECE N[C@H](CO)c1cc(C(F)(F)F)cc(Br)c1O 72199771 RESBMGQFWCPQDA-SSDOTTSWSA-N 300.074 2.166 10 10 DECE C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1O 136461766 TZRGXPSJMSLEAR-CYBMUJFWSA-N 315.369 2.310 10 10 DECE COC(=O)[C@H]1CCN[C@H](c2cc(Br)ccc2O)C1 1952457973 HVVVOQNTHOBZCI-KWQFWETISA-N 314.179 2.368 10 10 DECE CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)cc2O)C1 92734434 BHYBIZRPJGVWTK-CQSZACIVSA-N 306.406 2.139 10 10 DECE COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C)c1O 245856426 NNNDWWKTEIEYBN-STQMWFEESA-N 313.781 2.116 10 10 DECE O=S(=O)(C[C@@H]1C[C@@H]1C(F)(F)F)Nc1ccc(O)c(F)c1 2164633626 KZDBACMNQKBJMQ-XPUUQOCRSA-N 313.272 2.471 10 10 DECE COC[C@@H](O)CNCc1ccc(OCc2ccccc2)cc1O 802659966 SKTXYNNFQKUWGY-INIZCTEOSA-N 317.385 2.068 10 10 DECE COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](N)C2)c1 903984334 UIBMGAYLGQEFBS-VXGBXAGGSA-N 304.312 2.112 10 10 DECE CC(C)C[C@@H](CN(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 588404522 BEVPNPRVXFCAQN-QPBFKRLHSA-N 306.406 2.204 10 10 DECE C[C@@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccc(N(C)C)cc1 838558137 DOXNZOQINKMFBA-XPKDYRNWSA-N 305.422 2.274 10 10 DECE COc1ccc(N(C)CCN(C)CCn2cc(C)cn2)cc1 844400241 YBFQPTMAJFIKEA-UHFFFAOYSA-N 302.422 2.268 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(O)cc1O 910957342 RYMBNCQVNSTPBH-CHWSQXEVSA-N 321.373 2.082 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1895876869 YYXSMBKNFKEHFH-SRVKXCTJSA-N 323.397 2.306 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)[C@H]2C[C@@H]21 1895875000 DWMPYRVWIMJDIN-FIQHERPVSA-N 321.381 2.057 10 10 DECE COC(=O)[C@](C)(CCF)NCc1cc(F)cc(C(C)=O)c1O 852578441 MUAKYISOWGXBMD-HNNXBMFYSA-N 315.316 2.115 10 10 DECE C[C@@H](NC[C@@H]1CCC(=O)N1)c1cc(Br)ccc1O 850547850 VTUYIZVFZJRENE-SCZZXKLOSA-N 313.195 2.084 10 10 DECE Oc1cccc2c1C[C@H](NCc1ccc(N3CCOCC3)cc1)C2 758557449 AZFZDISIQLQBIU-QGZVFWFLSA-N 324.424 2.486 10 10 DECE C[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)c2ncnn21 858186408 BCHZIADTJIKOLN-TVQRCGJNSA-N 307.348 2.418 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1 853736743 MQCQIMICYVLVOU-GFCCVEGCSA-N 314.332 2.491 10 10 DECE CCN(CC)c1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)cc1 862474613 WHEXKEFLOSXTSU-SFHVURJKSA-N 320.433 2.297 10 10 DECE CCC1(CC)CN(C(=O)c2cc(O)cs2)CC[S@@]1=O 769655318 ZBOOHBPOQGADFX-IBGZPJMESA-N 301.433 2.217 10 10 DECE COC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769165190 QUZUVYIKHZYYDG-UHFFFAOYSA-N 303.406 2.075 10 10 DECE CCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 775373454 JTTOMIIFOVRGEN-UHFFFAOYSA-N 300.362 2.162 10 10 DECE COc1ccc(-n2c(C)cc(C(=O)Nc3cnn[nH]3)c2C)cc1 789928427 ZCFFKNIJNSWXIF-UHFFFAOYSA-N 311.345 2.473 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)nc1 1142530424 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CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1[C@@H]1CCCO1 1641986113 BDGQUMCVOLIHIO-HOCLYGCPSA-N 305.374 2.056 10 10 DECE CC(C)(C)OC(=O)N[C@]1([C@@H](N)c2ccccc2O)CCOC1 1928474475 NASQLLBGVWONMQ-XJKSGUPXSA-N 308.378 2.076 10 10 DECE CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1597435809 QQFMAQZTELFWHB-NXEZZACHSA-N 320.349 2.167 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)/C=C(\C)c2cnccn2)c1 1595806597 PWGWEYJGJMNTQB-OBIHZWKSSA-N 313.357 2.472 10 10 DECE Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H](C)SC1=S 11635504 IZEYGHQEQAHTBV-JTQLQIEISA-N 308.428 2.491 10 10 DECE CCn1ncc(Nc2ccc(N)cc2)c(Br)c1=O 159313235 XKRBUFYJVIXWOP-UHFFFAOYSA-N 309.167 2.352 10 10 DECE Nc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1939085329 TZVHXYAJORDSST-RBUKOAKNSA-N 309.413 2.358 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H](N)c1ccccc1O 1936974734 LLQDFOMTHKPTDM-GXTWGEPZSA-N 322.405 2.418 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1O 2141100365 UVGYGAHIYDBRAY-DGCLKSJQSA-N 303.811 2.101 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 2143672513 PCXYGSLACZJNNH-GHMZBOCLSA-N 317.838 2.264 10 10 DECE CC[C@H](NC[C@H](CO)OC)c1cc(Br)ccc1O 1964493967 OPPRXKYBYJYQBN-PWSUYJOCSA-N 318.211 2.203 10 10 DECE C[C@@H](NC1CC(CS(C)(=O)=O)C1)c1cc(F)ccc1O 1974458460 JGAUAQGZASQBLZ-GRZMOONWSA-N 301.383 2.005 10 10 DECE COC1(CF)CN(c2ccc(CO)c(Br)c2)C1 2003080046 DZKBPOIZKNKTED-UHFFFAOYSA-N 304.159 2.116 10 10 DECE COCCNCc1cnc(SCC(C)(C)C(=O)OC)s1 2155325242 UWACILVXQXDFJC-UHFFFAOYSA-N 318.464 2.170 10 10 DECE C[C@@H](CC(=O)N(C)C)NCc1cccc(Br)c1O 311204594 IXOJXVFAFNZPDL-VIFPVBQESA-N 315.211 2.111 10 10 DECE CN(C[C@@H]1CCSC1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 718253998 IVPDPRWHBSLLRB-ISVAXAHUSA-N 311.838 2.481 10 10 DECE C[C@@H]1[C@H](O)CCCN1c1cc(Br)c(CN)cc1F 395060093 PABBMEJAZCDMRZ-AMIZOPFISA-N 317.202 2.397 10 10 DECE CN[C@]1(C(N)=O)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183536940 CKPUOHHNDLNMAE-QMTHXVAHSA-N 311.476 2.402 10 10 DECE COCCN1CC[C@H](Nc2c(N)cccc2Br)C1 2041973183 ZDTVJJMDDSVOPA-JTQLQIEISA-N 314.227 2.164 10 10 DECE Cc1ccc(Br)c([C@@H](NN)c2ccccc2O)n1 2049922374 GVNROUOTEAQASJ-LBPRGKRZSA-N 308.179 2.411 10 10 DECE C[C@@H]1[C@H](O)CN1c1ccc(CNC2CC2)c(Br)c1 2062259035 IKMLMVXHOKVPFS-YMTOWFKASA-N 311.223 2.271 10 10 DECE Cn1cc(Br)c(COC(=O)Cc2ccc(N)cc2)n1 2087329280 DVPAGYGBLAOFIZ-UHFFFAOYSA-N 324.178 2.051 10 10 DECE COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 2210896043 AWBXYAHWDWADGU-OCCSQVGLSA-N 322.405 2.160 10 10 DECE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)c1C 2297358469 AQMAOYRSEDUWED-UHFFFAOYSA-N 323.352 2.308 10 10 DECE Cc1ccc(CN2CC[C@H]2C(=O)O)c(O)c1Br 2307478405 XNNWWHXHTTYYKO-VIFPVBQESA-N 300.152 2.122 10 10 DECE CC[C@H](N)CC(=O)NCc1ccc(C)c(Br)c1O 2327797517 XUQGSADNSVCKAI-JTQLQIEISA-N 315.211 2.207 10 10 DECE CCN1C(=O)/C(=C/Nc2ccc(C)c(Cl)c2)C(=O)NC1=S 104918271 GWHLTMNXEBTQQM-JXMROGBWSA-N 323.805 2.207 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@H]1O 170896231 DYAHWDVHADPCNQ-DLBZAZTESA-N 317.433 2.390 10 10 DECE OC[C@H]1CCC[C@H]1NCc1cccc(Br)c1O 230679180 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170039705 RWRPGOTZOVZFQC-GFCCVEGCSA-N 300.358 2.030 10 10 DECE Nc1ccc(CS(=O)(=O)NCCc2ccc(F)cc2)cc1 21812051 LMDVLFYIDVKJNH-UHFFFAOYSA-N 308.378 2.070 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2c[nH]c(=O)cc2C)cc1 177637777 CPTXAXDMTCYMON-UHFFFAOYSA-N 313.401 2.460 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3CNC[C@@H]3C2(C)C)c1O 229104319 RJKAJXANKUQFMP-AAEUAGOBSA-N 310.825 2.484 10 10 DECE CCN1CCN(C2=NC(=O)/C(=C\c3ccc(F)cc3)S2)CC1 96466585 IVCGYTBNXJAAAX-SDNWHVSQSA-N 319.405 2.434 10 10 DECE Nc1ccc(NC(=S)Nc2cccc(S(=O)(=O)O)c2)cc1 243244336 KOLCVRXGTIUPRG-UHFFFAOYSA-N 323.399 2.324 10 10 DECE COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(O)c1 276816121 YNLZBYOPRPWANV-KRWDZBQOSA-N 313.353 2.331 10 10 DECE COC(=O)[C@H](CF)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 288368134 QRQWBHRFCZAPKN-HNNXBMFYSA-N 318.348 2.335 10 10 DECE CC[C@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 291558291 BYGYWEIHWVSVRW-AWEZNQCLSA-N 321.396 2.356 10 10 DECE CCn1ccnc(NCc2cc(Br)ccc2O)c1=O 804826565 AHFJVFJUMPPFET-UHFFFAOYSA-N 324.178 2.343 10 10 DECE 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312.841 2.323 10 10 DECE COc1ccc(CNc2cnn(-c3ncccc3C#N)c2)c(O)c1 185843354 CMBQGHZLWJFZRV-UHFFFAOYSA-N 321.340 2.465 10 10 DECE O=C1Nc2cc(N3CC[C@H](SC(F)F)C3)ccc2[C@H]1O 2365688109 CTYIUGLQRZKFRJ-GZMMTYOYSA-N 300.330 2.207 10 10 DECE O=C(O)[C@@H]1CCN[C@H](c2cc(Br)ccc2O)C1 1952458889 MLBFKLHTALLHLS-XCBNKYQSSA-N 300.152 2.280 10 10 DECE CCN(CC)c1ccc(CN2C(=O)N[C@H](CF)C2=O)cc1F 287629688 IPAZZNQMDFGSBK-GFCCVEGCSA-N 311.332 2.062 10 10 DECE CN1CCCc2cc([C@@H](NN)[C@@H]3CSCCS3)ccc21 2163103417 UDQHJENRQSMLJJ-LSDHHAIUSA-N 309.504 2.422 10 10 DECE Cn1ccnc1C(=O)NCc1cc(Cl)cc(Cl)c1O 808478945 GBNCWTMMVKEUDG-UHFFFAOYSA-N 300.145 2.363 10 10 DECE C[C@@H]1CNC[C@H]1CCNCc1cc(Br)ccc1O 903974870 UQQFPNIDQWXYCP-GHMZBOCLSA-N 313.239 2.490 10 10 DECE CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2CC(N)=O)cc1 835028473 RKFCMELKTYDYEA-FUTAKVPZSA-N 301.434 2.496 10 10 DECE CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@@H](O)C(F)F 834875458 PIGGZDWSIUBNDR-VIRWGQHYSA-N 304.293 2.356 10 10 DECE CN(C)c1ccc(CNC(=O)NCCC2(CO)CCC2)cc1 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10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCN1CCCCCC1 1135928918 KEPBFJSQEKRHPJ-UHFFFAOYSA-N 306.406 2.023 10 10 DECE O=S1(=O)CCC[C@@H]1CCNCc1c(O)cccc1Cl 714334069 CZEZKUWAOQSTMS-SNVBAGLBSA-N 303.811 2.103 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)C1CC(C(F)F)C1 1912676504 KHJNXGPBQPTEQV-UHFFFAOYSA-N 304.362 2.074 10 10 DECE Cc1nn(CCO)c(NCc2cc(F)c(N(C)C)cc2F)c1C 1261788026 JSXVVJJKHBJAPV-UHFFFAOYSA-N 324.375 2.449 10 10 DECE [N-]=[N+]=N[C@H]1CCN(C(=O)c2sncc2Br)C1 1912171254 IHERLGNAIJNGNZ-YFKPBYRVSA-N 302.157 2.430 10 10 DECE CN[C@H](c1ccc2c(c1)CCN2C)c1n[nH]cc1Br 2134210979 XXDOOZBETIHPFP-CYBMUJFWSA-N 321.222 2.473 10 10 DECE O=C(NCc1noc2ccccc12)c1c(F)ccc(O)c1O 1457990378 AITKBTKZXVEZKF-UHFFFAOYSA-N 302.261 2.308 10 10 DECE C[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1O 1557966506 FGOUGTFSKGBWCW-LLVKDONJSA-N 310.353 2.307 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O 1626838057 MVXYQWJGCKCNSZ-LBPRGKRZSA-N 324.377 2.017 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCCCO2)cc1C 1716434362 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10 DECE C[C@H](c1cc(F)ccc1O)N(C)C1CC(S(C)(=O)=O)C1 716081924 HVVGTWMOLPLSHH-OIKLOGQESA-N 301.383 2.100 10 10 DECE NCC[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 723686768 ZIVHZWDYEDXNSF-VIFPVBQESA-N 317.202 2.465 10 10 DECE CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)n1cnnc1 2064261693 FHOVEPQAWXUIJB-CYBMUJFWSA-N 308.769 2.151 10 10 DECE CN(C)c1ccc([C@H](O)c2cnn(C)c2Br)cc1 2044713291 HLBWYHDXAKRGAW-LBPRGKRZSA-N 310.195 2.330 10 10 DECE C[C@@H](N)c1ccc(N2CCN(C)[C@@H]3C[C@@H]32)cc1Br 2049381323 UUHMOPGACICHMN-FZQKWOKYSA-N 310.239 2.362 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)n1nc(Cl)nc1Cl 2265061496 RCDZISDATVSQHL-LURJTMIESA-N 300.149 2.367 10 10 DECE C[C@H](N)Cc1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2342080952 CQZIKNNLVKWPQI-IQJOONFLSA-N 320.505 2.091 10 10 DECE Cc1cccc(CCNS(=O)(=O)Cc2ccc(N)cc2)c1 51668979 NBYDBXPHZZCTSU-UHFFFAOYSA-N 304.415 2.239 10 10 DECE CCOc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)c1O 1951402946 OZYCMFNHDWGPPU-NSHDSACASA-N 311.334 2.441 10 10 DECE CC(C)n1c(SCCCOc2ccc(N)cc2)n[nH]c1=O 61595019 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CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@]12C[C@@H]2NC(=O)OC(C)(C)C 1900608324 YXWQLUCAMLLPMO-ZIBATOQPSA-N 323.397 2.449 10 10 DECE CC[C@H](NC[C@@H](CO)OC)c1cc(Br)ccc1O 1964493966 OPPRXKYBYJYQBN-JQWIXIFHSA-N 318.211 2.203 10 10 DECE O=C1Nc2cc(N3CC(OCc4ccccc4)C3)ccc2[C@H]1O 1977136796 SXWULMHGXBNGAD-QGZVFWFLSA-N 310.353 2.078 10 10 DECE COc1ccc(N2CCN(c3nnc(S)s3)CC2)cc1 44241630 UDFQERAIQKOZSA-UHFFFAOYSA-N 308.432 2.162 10 10 DECE CNCc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Cl 2170649721 GBCLFGARHRLRIK-MNOVXSKESA-N 318.870 2.317 10 10 DECE C[C@@H](N)c1ccc(N(C)CC[S@](C)=O)cc1Br 399270411 UAPGKXJQECEFMC-XLFHBGCDSA-N 319.268 2.284 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3c3ccncc3)c2n1 2064091621 CGUJTJMRZIUTJX-AWEZNQCLSA-N 323.356 2.116 10 10 DECE CN(Cc1cc(Cl)ns1)c1ccc2c(c1)NC(=O)[C@@H]2O 2167211549 LINRTZJBMOIKCL-GFCCVEGCSA-N 309.778 2.418 10 10 DECE Cc1cc(O)c([C@@H](C)n2cc(C(=O)NC3CC3)c(O)n2)cc1C 2070641435 KGGQXGIWDNHSBN-LLVKDONJSA-N 315.373 2.413 10 10 DECE NCc1cc(F)c(N2CCC=C[C@@H]2CO)cc1Br 2061974530 IOSUBIKMSFFANJ-SNVBAGLBSA-N 315.186 2.174 10 10 DECE C[C@@H]1[C@@H](O)CN1c1ccc(CNC2CC2)c(Br)c1 2062259033 IKMLMVXHOKVPFS-OTYXRUKQSA-N 311.223 2.271 10 10 DECE Cc1nc(Br)cc(=NCCc2ccc(O)c(O)c2)[nH]1 2091758111 DGLPRLAJOOVYDK-UHFFFAOYSA-N 324.178 2.035 10 10 DECE COC(=O)CCCN1C(=O)C(=Cc2ccncc2)SC1=S 2314740794 NHUNTIUAVURFPZ-UHFFFAOYSA-N 322.411 2.236 10 10 DECE Cc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 133741606 FGQNYZONYLUNHD-UHFFFAOYSA-N 314.344 2.471 10 10 DECE Cc1cc(O)c(O)cc1CCNC(=O)Cc1ccc(F)cc1 170185750 OGMZJTKSAFAZIQ-UHFFFAOYSA-N 303.333 2.447 10 10 DECE CN(C)[C@@H]1CCCN(c2ccc(CN)cc2Br)C1 212880071 GOTPHCSAGORVNF-GFCCVEGCSA-N 312.255 2.438 10 10 DECE COc1cc(CNCc2ccccc2)ccc1N1CCNCC1 211630983 LGBKTKLHROVWAP-UHFFFAOYSA-N 311.429 2.395 10 10 DECE CN(C)c1ccc(CNC(=O)c2cnc(N)c(Cl)c2)cc1F 171284103 GBZOCOSUNGOVMW-UHFFFAOYSA-N 322.771 2.452 10 10 DECE Nc1ccc(OCCNS(=O)(=O)CC2CCCCC2)cc1 49043210 PXZKBXFKVAOAOZ-UHFFFAOYSA-N 312.435 2.147 10 10 DECE CCNCc1ccc(N2CC[C@H](CO)C2)c(Br)c1 233541301 RFNMHIAVUVIOOQ-LBPRGKRZSA-N 313.239 2.377 10 10 DECE CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823523814 KKXDCXQDDBQGHI-OAHLLOKOSA-N 317.433 2.342 10 10 DECE CNC(=O)[C@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O 824596917 KPBSYKVZZUHJDP-OAHLLOKOSA-N 320.433 2.409 10 10 DECE Oc1cc2c(cc1CN1CCCC[C@@]3(CCNC3)C1)OCO2 903959876 QOJAVKNZDLACSP-KRWDZBQOSA-N 304.390 2.087 10 10 DECE COc1cccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1O 823033423 FUTVNBDJZCPCFH-LLVKDONJSA-N 314.332 2.491 10 10 DECE Fc1cc(CN[C@H]2CCCOC2)cc(F)c1N1CCOCC1 839146633 PEHJYZYDQTYJGR-ZDUSSCGKSA-N 312.360 2.070 10 10 DECE C[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 832431253 MMKJMNDZQWAQNG-GXTWGEPZSA-N 312.417 2.458 10 10 DECE C[C@H]1CN(C(=N)NCc2cc(Cl)cc(Cl)c2O)CCO1 849028664 UGQAUUPZQCLJTD-QMMMGPOBSA-N 318.204 2.444 10 10 DECE CCc1nc([C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1 849744669 FQAAQDOXEAYRCM-IWGCBNPKSA-N 303.318 2.096 10 10 DECE C[C@@H](NC(=O)N1CCC2(COC2)C1)c1ccc(N(C)C)cc1 854004446 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2.023 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)CC2CCC2)cc1 1298341633 QADPGPJOSYKPRY-ZDUSSCGKSA-N 304.350 2.130 10 10 DECE O=C(NCc1c(O)cccc1F)c1nc2cnccc2s1 1456029357 MRUSZYZPVMBPRR-UHFFFAOYSA-N 303.318 2.466 10 10 DECE CN(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1628981513 FEXPGKYZVIUOOZ-UONOGXRCSA-N 317.393 2.452 10 10 DECE Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 1630301897 MAHLKKMYRFECPF-LBPRGKRZSA-N 301.342 2.490 10 10 DECE Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)c(O)c1O 1630131442 OBCJUEFXDMXGNL-CYBMUJFWSA-N 323.295 2.148 10 10 DECE COC(=O)c1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 1642306412 AJPJNHZKKRSTKB-UHFFFAOYSA-N 310.357 2.252 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@@H]1Cc2cc(Cl)ccc2O1 1570461484 QRYIZRMTDZYYHA-HNNXBMFYSA-N 319.744 2.371 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[C@H](O)C2)cc1 1586659862 ZSLIOTWMHSOAMY-GWCFXTLKSA-N 304.350 2.130 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)C1CC1 1742753732 BZEOCCSANRUKPI-KRWDZBQOSA-N 316.405 2.090 10 10 DECE COc1cccc(OC)c1CNC(=O)NCc1ccccc1O 1683706422 SNMVBLNFGSPPIA-UHFFFAOYSA-N 316.357 2.409 10 10 DECE CN(C)c1ccc([C@@H](O)C(=O)C(F)(F)Br)cc1 1943157592 QTDQTSYJNUXPAH-SECBINFHSA-N 308.122 2.343 10 10 DECE O=C(N[C@]12C[C@H]1CN(Cc1ccccc1)C2)c1cccc(O)c1O 1950062011 UEQYJKIFMSBTGJ-LIRRHRJNSA-N 324.380 2.102 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1cnsn1 2002059156 KREYORXUXGGCDP-UHFFFAOYSA-N 318.171 2.435 10 10 DECE C[C@H]1C[S@@](=O)CCN1Cc1ccc(Br)cc1O 1970348350 WZJRTXOHNRCLIS-XYZCENFISA-N 318.236 2.108 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)CC(N)=O)cc1Br 2033931213 ATWRHPHKGBDXAE-BDAKNGLRSA-N 315.211 2.203 10 10 DECE COCCNCc1cnc(Sc2nnc(C)s2)s1 2037794606 PTTFLNQKJCJFCT-UHFFFAOYSA-N 302.450 2.190 10 10 DECE CN(Cc1c(Cl)ncn1C)c1ccc(CN)c(F)c1F 2168139610 KGQNIASIJKWBOD-UHFFFAOYSA-N 300.740 2.447 10 10 DECE COC[C@@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 1907321365 PXWVRNVUVUMEDE-KWQFWETISA-N 304.159 2.418 10 10 DECE CN(C)c1ccc([C@H](NN)c2ccc(Br)cn2)cc1 2100911052 GYGYPCATCMFRRM-AWEZNQCLSA-N 321.222 2.463 10 10 DECE CN[C@@H](C)c1ccc(N2CC(C[S@](C)=O)C2)cc1Cl 2110343229 IQDQBZAMOIKEHU-OVWNDWIMSA-N 300.855 2.435 10 10 DECE C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ccc(CN)cc1Br 2218430817 CHGGLRXVFWEMEB-GDLCADMTSA-N 311.223 2.257 10 10 DECE Cn1nccc(NCc2cc(Cl)cc(Cl)c2O)c1=O 2227220527 VARXEYCGVGTGLP-UHFFFAOYSA-N 300.145 2.405 10 10 DECE CSc1ncc(CNC(=O)N2CC[C@@]2(C)CC(=O)O)s1 2284536156 HSTONWIKSMKGJY-LBPRGKRZSA-N 315.420 2.014 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc(O)[nH]c2c1 2307982068 MDXAYRXPPFIGQN-UHFFFAOYSA-N 311.297 2.332 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H]2OCCC[C@@H]2C1 2308002025 NZFDVRNKKRSCFM-CZUORRHYSA-N 303.358 2.139 10 10 DECE COc1cccc(C(=O)NCCc2cc(O)c(O)cc2C)c1 170187328 URKMTKHJDXLGFM-UHFFFAOYSA-N 301.342 2.387 10 10 DECE CSc1ncc(CNC(=O)[C@@]23C[C@H]4CC[C@H](N4)[C@@H]2C3)s1 2359403888 MXXPWOGOJPMUQC-RTOGKPCTSA-N 309.460 2.012 10 10 DECE CCC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC 184045714 MHXANAZMQANCQH-SFHVURJKSA-N 320.433 2.345 10 10 DECE CCO[C@H]1C[C@@](CO)(NCc2ccc(OC)cc2O)C1(C)C 186591377 UKZIHJJGODBRPH-RDJZCZTQSA-N 309.406 2.057 10 10 DECE O=C(O)/C=C/c1ccc(N2CCC[S@](=O)CC2)c(Cl)c1 322252387 NJYCSHMFIXOWEA-GECPCNCSSA-N 313.806 2.397 10 10 DECE CC(=O)C(=O)COC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 808534985 XXCHQZFJODTONR-VIFPVBQESA-N 310.733 2.250 10 10 DECE C[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccnn1C 817444967 CNCKFMGKSNGKST-QWHCGFSZSA-N 300.406 2.467 10 10 DECE CN1C[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)[C@H]2C1 814173895 RWJAWBWRROTHFN-ZANVPECISA-N 311.769 2.090 10 10 DECE COC(=O)N(C)CCN(C)Cc1cc(Cl)c(C)cc1O 827347637 ROPIDHHGQWPUEP-UHFFFAOYSA-N 300.786 2.484 10 10 DECE Oc1cc(F)c(Cl)cc1CN1CC[C@@H](Cn2ccnn2)C1 826853505 VSDKBPHRUJTRAC-SNVBAGLBSA-N 310.760 2.298 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(F)cc2)c1 491684775 HSNZCEUBTCDJDB-BAQGIRSFSA-N 313.332 2.257 10 10 DECE CN(C)c1ccc(/C=C\CNCC(=O)NCC(F)(F)F)cc1 835034525 BTLXQBVNRSCMKV-ARJAWSKDSA-N 315.339 2.034 10 10 DECE COC(=O)/C=C/c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 845752594 INIJJRXAJZXYMC-RSSNJPKISA-N 324.283 2.482 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C12CCN(CC1)C2 910558270 NBVUBGDLSHZFEY-OAHLLOKOSA-N 315.461 2.204 10 10 DECE CCC[C@@H]1CCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846251678 HVRXTEIDHJBCGX-LLVKDONJSA-N 318.377 2.145 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CNCC[C@@H]1C 841976785 NYBDKPDKRCDGSA-YOEHRIQHSA-N 318.465 2.282 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CSC)C2)cc1 852122672 PRJKXZPQRLYIPI-OLZOCXBDSA-N 323.462 2.325 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cc(C)nn3C)C2)cc1 850347420 RWWXJQDJGSDCAN-CQSZACIVSA-N 300.406 2.106 10 10 DECE CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)[C@@H]1CCOC1 851881342 KHNZROMVDYTSFI-DYVFJYSZSA-N 306.406 2.003 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1c(C)n[nH]c1C 935946393 GMJPWGPGMIWDRP-UHFFFAOYSA-N 308.378 2.077 10 10 DECE CC(C)N1C(=O)CC[C@H]1c1nc(Cc2ccc(N)cc2)no1 872170370 HCLZQRGFDWTUPF-ZDUSSCGKSA-N 300.362 2.315 10 10 DECE CN(CCC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C 871204957 MTXRKNLWAPWHGB-UHFFFAOYSA-N 320.389 2.491 10 10 DECE O=C([C@H]1CCCN(Cc2cc(F)ccc2O)C1)N1CCCC1 779016751 GGCDOGDNTZTOKO-ZDUSSCGKSA-N 306.381 2.366 10 10 DECE Cc1nc(N[C@H](C)c2ccc(N(C)C)cc2)nc(N(C)C)n1 772300829 OTGLRLLKYWXPOV-LLVKDONJSA-N 300.410 2.485 10 10 DECE CCOC(=O)[C@@H]1CCCN(c2ccc3c(c2)CCN3C(C)=O)C1 71702379 JHBOETCWBCUHFQ-OAHLLOKOSA-N 316.401 2.375 10 10 DECE COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1154276389 SQNGWBAGCMZWCX-HNNXBMFYSA-N 318.333 2.017 10 10 DECE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC1CC1 1267831758 TXIFYJOAKJUHLK-ZDUSSCGKSA-N 317.393 2.357 10 10 DECE COc1ccc(CNC2(CNC(=O)CCCF)CC2)cc1C 1269468429 JRASHLYTLACEAJ-UHFFFAOYSA-N 308.397 2.492 10 10 DECE COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CC2 1289717520 KROAAKDQRDBBQK-QPJJXVBHSA-N 308.337 2.471 10 10 DECE CCNc1cccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1519861961 IGXWRLZSBKSSHC-LLVKDONJSA-N 315.373 2.286 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H]1CCOC2(CCCC2)C1 1521851230 HXXDWZHPWZIYHS-LBPRGKRZSA-N 305.374 2.453 10 10 DECE 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10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1c(O)cc(O)cc1O 1952458389 VVTIHMDRCADKLT-LLVKDONJSA-N 324.377 2.075 10 10 DECE CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 92096891 CQJBUHDTEFKQQZ-QGZVFWFLSA-N 301.434 2.387 10 10 DECE CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(O)c(O)c1 382717422 LJUOGZDXJBVPGB-STQMWFEESA-N 322.405 2.268 10 10 DECE COc1ccc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1 722501344 DSQMPGYHFPFDHV-LBPRGKRZSA-N 324.377 2.041 10 10 DECE CO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CCCC1 831931546 QZBVXIGJPUEWCC-MEDUHNTESA-N 307.390 2.350 10 10 DECE C[C@H]1CN([C@H](C)CNCc2ccc3c(c2)CCO3)C[C@@H](C)O1 848562032 FTKBWSSSWXVVNJ-KFWWJZLASA-N 304.434 2.209 10 10 DECE COc1c(C)ncnc1NCc1ccc(N2CCOCC2)cc1 848656747 PRCXOMNWOPFJOI-UHFFFAOYSA-N 314.389 2.242 10 10 DECE Nc1ccc(NC(=O)NCc2nc3c(s2)COCC3)cc1 926142037 ICFXIIHZEMKKPI-UHFFFAOYSA-N 304.375 2.120 10 10 DECE C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccnn1C 869177192 OOUMNHSGMGAMKS-NSHDSACASA-N 319.384 2.186 10 10 DECE 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300.196 2.150 10 10 DECE O=C(CC1COC1)Nc1c(-c2ccccn2)nc2ccccn12 1298829922 LCUZOVMMRYFHIJ-UHFFFAOYSA-N 308.341 2.371 10 10 DECE Cc1ccc(C(=O)N(C)[C@@H](CO)c2ccccc2)c(O)c1O 1468342254 KWEGFWHQOXNANB-AWEZNQCLSA-N 301.342 2.212 10 10 DECE C/C=C/C[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OCC 1633749357 MNFSJSIMRZEVSP-FVOPLDGLSA-N 307.346 2.034 10 10 DECE O=C(NCc1ccncn1)c1cc2cc(O)c(O)cc2s1 1635980689 KBCKLUTVFFLKFU-UHFFFAOYSA-N 301.327 2.033 10 10 DECE C[S@@](=N)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 1570259982 LGFDUXRNPWLYCT-OAQYLSRUSA-N 306.343 2.386 10 10 DECE Cc1cccn2cc(CC(=O)N3Cc4cccc(O)c4C3)nc12 1643168592 GSLYOIQAYOJWOT-UHFFFAOYSA-N 307.353 2.433 10 10 DECE CN[C@H](c1ccccc1O)[C@H](COC)NC(=O)OC(C)(C)C 1928468679 ZFNKVTXDDDSMOT-GXTWGEPZSA-N 310.394 2.192 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 1586659866 ZSLIOTWMHSOAMY-MFKMUULPSA-N 304.350 2.130 10 10 DECE C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(O)c1O 1651173105 QQCPKYFLTCESCK-SNVBAGLBSA-N 305.305 2.321 10 10 DECE CC[C@H](C)N(CCO)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 1773188798 OTRTYGWZPYIKNR-VFFGBVLKSA-N 322.361 2.378 10 10 DECE CCCOc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(O)c1 159643107 ZKSKEYUTFNKIDQ-JSGCOSHPSA-N 306.406 2.267 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](N)c2ccccc2O)CO1 1894720963 MNSCCYDRQDTVPJ-KYOSRNDESA-N 322.405 2.416 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)C3CSC3)c(Cl)cc21 2145063253 FUUFUGBVAOUDNJ-CYBMUJFWSA-N 311.838 2.494 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 1985093487 AHZHEKGOFYXPNY-SDDRHHMPSA-N 323.397 2.258 10 10 DECE CN[C@H](C)c1ccc(N2CCN(C)CC2)cc1Br 300514596 JBRPNOZQXMNTRG-LLVKDONJSA-N 312.255 2.481 10 10 DECE CCOc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2053466558 FDOAJULQLDZKDQ-UHFFFAOYSA-N 323.395 2.371 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CN2CCC1CC2 706829309 WLSHAMQIDRMTOE-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE CCN(CCOCCO)c1ccc([C@@H](C)NC)c(Cl)c1 380294033 SIXBCEJCWYRQAH-GFCCVEGCSA-N 300.830 2.456 10 10 DECE CN1C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CC1=O 723547339 GSIURGIRMOMIRT-QMMMGPOBSA-N 303.189 2.267 10 10 DECE CC(C)(F)[C@](C)(F)CNS(=O)(=O)Cc1ccc(N)cc1 2173023307 RNFAONTUENABSA-CYBMUJFWSA-N 306.378 2.165 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2n1 2062373864 PWPHJTHGIOHICI-JHJVBQTASA-N 314.389 2.442 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC(COc2ccccc2)C1 2064069397 WJZVYPDDZASPIR-UHFFFAOYSA-N 313.353 2.178 10 10 DECE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(Cl)c1 2170279408 XOCHGYIWCHOWOA-DCAQKATOSA-N 316.854 2.372 10 10 DECE CN1CC[C@@H]2CCN(c3ccc(CN)cc3Br)C[C@H]21 2102329841 JAVMBCGDJBMUQU-IUODEOHRSA-N 324.266 2.438 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@@H](O)c1cnc[nH]1 2088649770 QAMULLKFGIIKGU-LLVKDONJSA-N 302.161 2.245 10 10 DECE CP(C)(=O)C1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2286169148 MOSGBAZVPUPGKV-GFCCVEGCSA-N 314.709 2.137 10 10 DECE COc1cccc(CNC(=O)C=Cc2scnc2C)c1O 2310141889 WXUZKRIBTBVKDO-UHFFFAOYSA-N 304.371 2.495 10 10 DECE COCCC(=O)NCc1ccc(C)c(Br)c1O 2307454330 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10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C1(C)C 1896840266 COYLZZIMHMBOPU-GHMZBOCLSA-N 323.397 2.447 10 10 DECE OC1(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1 846008448 NWFPTYMYCBKVMF-UHFFFAOYSA-N 316.445 2.260 10 10 DECE COc1cc(O)c(CN2CCC(C3(O)CC3)CC2)cc1OC 846007284 FLVQSCSBZFKQKF-UHFFFAOYSA-N 307.390 2.146 10 10 DECE COc1cccc(CNC(=O)NC[C@@]2(C)CCCCO2)c1O 927199068 MXHCUQILQQWCOD-MRXNPFEDSA-N 308.378 2.159 10 10 DECE C[C@H](NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1)c1ccc(N(C)C)cc1 854003701 KGRUFBXXLJSMEL-MCIONIFRSA-N 319.449 2.472 10 10 DECE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 858596608 GXZQDDDLGVGENY-AWEZNQCLSA-N 305.422 2.373 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2C[C@@H]2C1 856209289 KLHZGOCNICHRTR-ZSHCYNCHSA-N 314.429 2.310 10 10 DECE COc1cc(C)cc(CN2CCOC[C@@H]2C(F)(F)F)c1O 754739787 BCYMESBOGXVYAR-GFCCVEGCSA-N 305.296 2.472 10 10 DECE C[C@@H](CN(C)CCCN(C)C)NCc1c(O)cccc1Cl 850353685 KBQBUHUABBKRKE-ZDUSSCGKSA-N 313.873 2.407 10 10 DECE CCOC(=O)[C@H](Cc1ccccn1)NCc1ccccc1O 763481088 QXLHHDXZOSREED-HNNXBMFYSA-N 300.358 2.051 10 10 DECE Cc1cc(Cl)cc(CNC[C@@H]2CCCS2(=O)=O)c1O 776252528 DLSZIFFIUFCICU-LBPRGKRZSA-N 303.811 2.021 10 10 DECE COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1 770484907 ULCFNLNIFQUGPF-CYBMUJFWSA-N 315.325 2.050 10 10 DECE CN1CCCc2cc(CNC(=O)[C@H]3[C@H]4OCCC[C@@H]43)ccc21 779883612 GCUVNPJKZUTOJR-OIISXLGYSA-N 300.402 2.110 10 10 DECE CC(C)[C@H](NCc1ccc(Br)cc1O)C(=O)O 691415915 VBCHUMQQLMVKAG-NSHDSACASA-N 302.168 2.354 10 10 DECE O=C(NCc1c(O)cccc1O)C1=Cc2cc(F)ccc2OC1 1156881182 TTZFDZGEUYTWOT-UHFFFAOYSA-N 315.300 2.329 10 10 DECE Cn1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)nn1 1165275970 OKGJUSLFJYZFEC-UHFFFAOYSA-N 313.386 2.191 10 10 DECE COc1ccc(CNC(=O)c2nccc3cccnc23)c(O)c1 1633926364 CGPHLDIOSCDBIJ-UHFFFAOYSA-N 309.325 2.274 10 10 DECE COC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 1585254939 QZYMNUAOZPEPSL-QWGSZXSUSA-N 322.364 2.473 10 10 DECE CS[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 235101860 OYTLVPKMEIFWJB-UONOGXRCSA-N 314.476 2.362 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1C[C@H]2C[C@H]1CN2 1944213534 KZPXHMSRICFVAO-ZJUUUORDSA-N 317.614 2.354 10 10 DECE CN(C)C(=O)NCCCNCc1cc(Cl)cc(Cl)c1O 1964071224 QOIFIEANLPCZJZ-UHFFFAOYSA-N 320.220 2.450 10 10 DECE Cn1[nH]c(=NCc2ccc(F)c(F)c2O)cc1Br 2038254083 YADGIQCCYQVOFQ-UHFFFAOYSA-N 318.121 2.200 10 10 DECE CCc1cccc2c1N(C(=O)c1c[nH]nc1[C@@H]1CCNC1)CC2 2064306535 RIFRILVZCLNFCL-CQSZACIVSA-N 310.401 2.252 10 10 DECE NC[C@]12CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]1CCO2 2175183013 OWGQPFFSRQHPQJ-HZMBPMFUSA-N 317.216 2.249 10 10 DECE CCS(=O)(=O)C[C@H](C)N(C)[C@@H](C)c1cc(F)ccc1O 2170510933 DWKJHQYCMJEQAM-QWRGUYRKSA-N 303.399 2.347 10 10 DECE CC(C)S(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O 2170587584 CWQZFRKVYDQUFZ-QWRGUYRKSA-N 303.399 2.394 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H]2CN3CC(F)F)c(Cl)c1 2188340431 YPVJHIZQMNBHBR-QWRGUYRKSA-N 301.768 2.327 10 10 DECE OCc1ccc(N2C[C@@H]3[C@@H](CO)C[C@H]3C2)c(Br)c1 2053989934 SQKDDYKHSGSVCW-TUAOUCFPSA-N 312.207 2.006 10 10 DECE Nc1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1O 2191703420 CYHHXJJLEDBEDD-UHFFFAOYSA-N 312.778 2.106 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1CCN2CC[C@H]1C2 2072626345 ZSNDSUJYOFGUAY-GWCFXTLKSA-N 311.223 2.339 10 10 DECE COc1ccc(Br)c(CN[C@@H]2CC[C@@H]2OC)c1O 2220462400 KYJRJITYHPQZNJ-MNOVXSKESA-N 316.195 2.430 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)s1 2284505271 TWRPVIPGCDSDEY-SMDDNHRTSA-N 311.476 2.404 10 10 DECE CCN=c1[nH]cc(Cl)c(=NCc2cnc(SC)s2)[nH]1 2269316793 IKJUXJQNYVLJQM-UHFFFAOYSA-N 315.855 2.196 10 10 DECE CNC[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2286334134 KVGDTKTXRQJJJW-CQSZACIVSA-N 319.232 2.245 10 10 DECE CC(C)(C)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O 2296732995 JTBSTMPPMLOUSX-UHFFFAOYSA-N 311.341 2.428 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)cc1Br 2311889273 SXTNUGSRFKNUEG-COPCRZHJSA-N 311.223 2.286 10 10 DECE OCc1ccc(N2CC[C@H]3[C@H](CO)[C@H]3C2)c(Br)c1 2311902651 VNPHDFJZGJHCNB-WOPDTQHZSA-N 312.207 2.006 10 10 DECE C[C@@]1(O)C[C@H]2C[C@H]1N(c1ccc(CN)cc1Br)C2 2317403029 KMQSWYWCDAUXAR-LERXQTSPSA-N 311.223 2.257 10 10 DECE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@H]2SC)s1 2328232329 WVPWPENRYZLJGU-KCJUWKMLSA-N 304.462 2.303 10 10 DECE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CCCC[C@@H]3C2)cc1 177561018 BLGRJYLCAYYQAE-IAGOWNOFSA-N 315.461 2.491 10 10 DECE C[C@H](CN)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951861173 PWYGPIKBUDQXJN-ZYHUDNBSSA-N 310.394 2.128 10 10 DECE COc1ccc(Br)c(CN[C@H](CO)C(C)C)c1O 1964559964 LTCXUBRHFQPSIO-LLVKDONJSA-N 318.211 2.270 10 10 DECE Cc1cc(O)c(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1C 249094020 HRFMUEYKLMBIJE-OAHLLOKOSA-N 306.450 2.286 10 10 DECE COc1ccc(N2CCN(c3nccn4nc(C)cc34)CC2)cc1 274730390 HEUYUCHEWCTTQT-UHFFFAOYSA-N 323.400 2.373 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cn(C(C)C)nn2)c1 815834840 BXLWDYOSXHFGPT-JTQLQIEISA-N 304.350 2.064 10 10 DECE COCC[C@H](COC)NC1CCN(c2ccc(OC)cc2)CC1 810256980 JUUUJUKHWXCFIF-MRXNPFEDSA-N 322.449 2.305 10 10 DECE COc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 816822345 HZEVWOZHVMNXDR-UHFFFAOYSA-N 313.401 2.357 10 10 DECE CC[C@@H](O)CC(=O)NCc1ccc(N2CCSCC2)cc1 822586039 HCJWAPCXFYMPNX-OAHLLOKOSA-N 308.447 2.017 10 10 DECE CC(=O)[C-]1NC(c2c#csc2Br)=S=C1C 725517850 SDUXAPZNULWSKZ-UHFFFAOYSA-N 301.210 2.239 10 10 DECE COc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(OC)c1 586736836 VHWJUJJZVWEKID-UHFFFAOYSA-N 305.286 2.073 10 10 DECE CNC(=O)[C@@H]1CCCCN1C/C=C/c1ccc(N(C)C)cc1 835025944 OPWDDOWJAMKPAJ-LXXRFIIISA-N 301.434 2.366 10 10 DECE COC(=O)C[C@@]1(NC/C=C/c2ccc(N(C)C)cc2)CCOC1 835046611 LGQBHARIWGGXRZ-WRFKIARRSA-N 318.417 2.078 10 10 DECE CN(CC(=O)NC(C)(C)C)Cc1c(O)ccc2ccncc12 835059490 AIDZBQFVKWPLEO-UHFFFAOYSA-N 301.390 2.287 10 10 DECE CCc1cccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O 848889512 KGQIHGOIVQJVEY-HZPDHXFCSA-N 302.418 2.445 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](C3CC3)N2)c1 846676707 IQDVQZWFJIQPNZ-NZVBXONLSA-N 304.390 2.109 10 10 DECE O=C(CCC1CCCC1)NCC(=O)NCc1c(O)cccc1F 928712065 NXDVTYVLPMPHKP-UHFFFAOYSA-N 322.380 2.234 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@](O)(c2ccc(O)c(O)c2)C1 687739176 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320.276 2.378 10 10 DECE Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc(O)c1O)CO2 1306710498 OHKLKUJNYKRZFA-LLVKDONJSA-N 303.289 2.409 10 10 DECE C[C@@H](O)c1ccc(N(C)C(C)(C)C(N)=O)c(Br)c1 1915542471 JNRONDDIKWGNSG-MRVPVSSYSA-N 315.211 2.203 10 10 DECE CN(c1ccc(C=CC(=O)O)cc1Br)C1COC1 1915708795 QHSFRDXNDCFVSI-UHFFFAOYSA-N 312.163 2.382 10 10 DECE Cc1cccc(C)c1NC(=O)CCN1C(=O)CSC1=S 1865769068 UTPVRBLFUWQDTF-UHFFFAOYSA-N 308.428 2.492 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H]2CCN2CC)cc1F 1628769917 OROHXPJHZNYRJR-MRXNPFEDSA-N 307.413 2.382 10 10 DECE O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(O)cc1O 1638352710 UWYCCAPJOMVTOA-UHFFFAOYSA-N 311.341 2.223 10 10 DECE Cn1ccnc1CCNC(=O)c1cc2cc(O)c(O)cc2s1 1595387596 JTWCKXNWSDCIGG-UHFFFAOYSA-N 317.370 2.019 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCN1C 1687680435 XNMDMHJDXOVSPH-QGZVFWFLSA-N 316.449 2.132 10 10 DECE CC(=O)c1cc(F)cc(CN(CCN)CC(F)(F)F)c1O 883445607 GLAHYYTURIFZBW-UHFFFAOYSA-N 308.275 2.057 10 10 DECE COCC(C)(COC)NCc1cccc(Br)c1O 1967708109 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10 DECE C[C@H](O)[C@@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 2011204706 NYNKJKFIARTINP-DQBIJJQNSA-N 304.159 2.153 10 10 DECE C[C@H]1CN(Cc2cc(Br)ccc2O)[C@H]1C(=O)O 2022986690 HNWBHHCIDFNQNI-WRWORJQWSA-N 300.152 2.060 10 10 DECE CC(C)OC(=O)CNCc1cccc(Br)c1O 308760136 WAYRGPGNMDTDSK-UHFFFAOYSA-N 302.168 2.196 10 10 DECE CCN(CCN(C)C)c1ccc(CN)c(Br)c1F 688216849 ZEMDCLNMFPHJAO-UHFFFAOYSA-N 318.234 2.435 10 10 DECE Cc1cc(Br)cc(CN(C)CC[S@](C)=O)c1O 399881175 TUZSGCIWWJXESS-KRWDZBQOSA-N 320.252 2.273 10 10 DECE NCc1cc(F)c(N2CC[C@@H]3C[C@@]3(O)C2)cc1Br 2051363240 RLDVAEKKHUOJFO-NOZJJQNGSA-N 315.186 2.008 10 10 DECE C[C@@H](O)c1ccc(N2CC(O)(C(F)F)C2)c(Br)c1 2052066850 XMZNDTUFDKCFSC-SSDOTTSWSA-N 322.149 2.319 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)cc1Br 2078267631 NKVSINHDYMMCDD-ONVGCPIPSA-N 311.223 2.286 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@H](O)CCO1 2097940198 ARCZJMRRVUJLHB-GHMZBOCLSA-N 306.189 2.329 10 10 DECE COc1ccc(Br)c(CNCc2ccno2)c1O 2220462916 STGHGMSLPODDGR-UHFFFAOYSA-N 313.151 2.441 10 10 DECE CSc1ncc(CNC[C@@H](O)CN2CCCCCC2)s1 2284505890 ZVVPKZPZKZSINH-GFCCVEGCSA-N 315.508 2.192 10 10 DECE CCc1nc(NN)c(C)c(NCc2cnc(SC)s2)n1 2284719477 HAGQQYCRWYNDKG-UHFFFAOYSA-N 310.452 2.424 10 10 DECE CSc1ncc(CNC[C@H](N)Cc2ccc(O)cc2)s1 2284727405 MNGCAHYSEIHRPS-LLVKDONJSA-N 309.460 2.230 10 10 DECE CN[C@H](C)c1ccc(N(CCOC)C[C@@H](C)O)c(Cl)c1 2288013111 CCYZPZIBEGJHLL-VXGBXAGGSA-N 300.830 2.454 10 10 DECE CCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(C)C1=O 2297329640 ACMXPNRLFQDFCB-UHFFFAOYSA-N 324.336 2.330 10 10 DECE Cc1cncc(/C=C\C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 492249163 OVJKTLSSNVTWDC-WLMCBFPDSA-N 321.380 2.409 10 10 DECE CC(C)(C)N1CCC(NC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307986662 PKICROKXEFAJJC-UHFFFAOYSA-N 318.417 2.490 10 10 DECE O=C(O)[C@@]1(Sc2nccs2)COC2(CCOCC2)C1 2351873755 BMGJIIUQQYSUEZ-LBPRGKRZSA-N 301.389 2.028 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)c1ccccc1 186415748 DUFSQFOCARCCKP-LRDDRELGSA-N 315.369 2.269 10 10 DECE OC1CCC(CNCc2ccc(N3CCOCC3)cc2)CC1 318451355 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CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@H]2[C@H]2CNC[C@H]32)c1O 866696959 DVCPAQQZCWXCDZ-JKEMJCCQSA-N 318.392 2.164 10 10 DECE COc1cccc(CN[C@@](C)(CO)c2cccc(O)c2)c1O 862433243 UHSYFRHATAZNMS-KRWDZBQOSA-N 303.358 2.104 10 10 DECE CC(=O)N1C[C@@H]2CN(C/C=C/c3ccc(N(C)C)cc3)C[C@@H]2C1 895577201 UQTADITYCYGHBE-OYIOLJDGSA-N 313.445 2.176 10 10 DECE Cn1cnc(CCNCc2c(O)cccc2Br)c1 706831674 KMIQIXLYIOPNGL-UHFFFAOYSA-N 310.195 2.221 10 10 DECE Cc1cn(C)nc1CNCc1cccc(Br)c1O 723508200 NYBMEABYDKBHHM-UHFFFAOYSA-N 310.195 2.486 10 10 DECE C[C@@H](O)CN(CCNc1ccc(N)cc1)C(=O)OC(C)(C)C 1959376646 BPKUOAFOOLFZDU-GFCCVEGCSA-N 309.410 2.299 10 10 DECE Cc1cccc(N)c1N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 1959362833 HSRSCVNRVNGASH-OLZOCXBDSA-N 307.394 2.281 10 10 DECE COc1ccc(-n2c(C)cc(C(=O)Nn3ccnn3)c2C)cc1 1158873313 VWTPWVRNIZWTHP-UHFFFAOYSA-N 311.345 2.078 10 10 DECE C[C@@H](NC(=O)c1cc(O)cs1)C(=O)OCc1ccccc1 1300147020 VVIWSIJTLJJFKR-SNVBAGLBSA-N 305.355 2.315 10 10 DECE NC[C@H]1CN(c2ncncc2Br)Cc2ccccc21 2119632854 YAXHUNAHTUQMGF-NSHDSACASA-N 319.206 2.302 10 10 DECE CCN(C(=O)CCN1C(=O)CSC1=S)c1ccccc1 1865765777 JWSTVLLMWQIZKF-UHFFFAOYSA-N 308.428 2.290 10 10 DECE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1294756141 ULHCOGIVZRJSNI-RRQGHBQHSA-N 318.417 2.015 10 10 DECE CC1(C)CC[C@H](CO)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1456048414 ANIQKNSXGORWMU-CYBMUJFWSA-N 318.377 2.472 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1ccnc2ccnn12 1459787185 BPSWCDLNWCMUJY-UHFFFAOYSA-N 314.692 2.171 10 10 DECE Cc1cc(C(=O)NCc2ccc(O)cc2O)ccc1[N+](=O)[O-] 1451741812 VYXUOONEEVMXLA-UHFFFAOYSA-N 302.286 2.244 10 10 DECE Nc1ccc(CC(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cc1 1616186821 YIOCTTONGAIOQA-IRXDYDNUSA-N 324.380 2.138 10 10 DECE CCc1cc(C(=O)NCc2ccc3cccnc3c2O)nn1C 1557123600 RVEGBVFGPJKVFO-UHFFFAOYSA-N 310.357 2.166 10 10 DECE CCc1c(C(=O)NCc2ccc(OC)cc2O)cnn1CC 1635042862 VEFUJQMSNVCMIQ-UHFFFAOYSA-N 303.362 2.110 10 10 DECE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)CCCF 1725203235 SQENZKLATQXHGP-LLVKDONJSA-N 323.372 2.259 10 10 DECE CCn1nc(C2CC2)cc1C(=O)NCc1c(O)cccc1O 1647291323 XHUBVVFUAMAATF-UHFFFAOYSA-N 301.346 2.122 10 10 DECE C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1570273587 JORKYXXXPWYZDK-PWSUYJOCSA-N 304.350 2.082 10 10 DECE O=C(Cc1ccc(O)c(Cl)c1)NCc1c(O)cccc1O 1652628317 ACNGSBSCBIFZLZ-UHFFFAOYSA-N 307.733 2.316 10 10 DECE Nc1ccc(OCCN2C[C@@H](c3ccc(N)cc3)OC2=O)cc1 585900445 VRENJZPGENKJAQ-INIZCTEOSA-N 313.357 2.423 10 10 DECE CN[C@@H](C)c1ccc(N2CCCS(=O)(=O)CC2)cc1Cl 234449435 PBYWPWWDVHMPOH-NSHDSACASA-N 316.854 2.245 10 10 DECE COc1ccc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)c1 895835166 ADJBJEBHIKIRHA-ZDUSSCGKSA-N 305.296 2.148 10 10 DECE O=C(N[C@]12C[C@@H]1CN(Cc1ccccc1)C2)c1cccc(O)c1O 1950062010 UEQYJKIFMSBTGJ-KUHUBIRLSA-N 324.380 2.102 10 10 DECE CC(C)(C)OC(=O)N1CCN(Cc2cc(N)ccc2O)[C@H]2C[C@@H]21 1977928105 XYIIBWNOQDXFNL-KBPBESRZSA-N 319.405 2.168 10 10 DECE CCn1ncc(C(=O)NCCN=[N+]=[N-])c1NC(=O)OC(C)(C)C 1988143839 VLEPLINVAZKYKQ-UHFFFAOYSA-N 323.357 2.290 10 10 DECE CC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)N(C)C 2156448923 BLNLPNBODRCQDD-LLVKDONJSA-N 300.786 2.011 10 10 DECE CN(c1ccc(CO)c(Br)c1)[C@H]1CN2CC[C@H]1C2 2040876661 KORQYDGFLPRXIB-HZMBPMFUSA-N 311.223 2.082 10 10 DECE CCOc1cccc(C=C2SC(N3CCOCC3)=NC2=O)c1 2042452500 IQBGXSNIXOQKMD-UHFFFAOYSA-N 318.398 2.388 10 10 DECE CNCc1ccc(N2CCC(S(C)(=O)=O)CC2)c(Cl)c1 312671574 JCQPOOKBKPGGKS-UHFFFAOYSA-N 316.854 2.073 10 10 DECE COCC(COC)N(C)Cc1cc(Cl)cc(OC)c1O 702060422 DQFQPELRCQZZMQ-UHFFFAOYSA-N 303.786 2.147 10 10 DECE NCc1ccc(N2CC[C@@H]3COC[C@H]3C2)cc1Br 690284190 WLYVJABOEJOSIN-VXGBXAGGSA-N 311.223 2.381 10 10 DECE CC(F)(F)C1(C(=O)Nc2ccc(O)c(O)c2)CCOCC1 2065162331 AZUXMJOUYPEMFA-UHFFFAOYSA-N 301.289 2.488 10 10 DECE CCN1CCN(c2ccc(CO)cc2Br)[C@@H](C)C1 2043151960 WRGAHYFMPCZYCK-NSHDSACASA-N 313.239 2.472 10 10 DECE C[C@@H](O)[C@H]1CCCN1c1cc(Br)c(CN)cc1F 2073321525 ADMNVYFZVQAOKW-PRHODGIISA-N 317.202 2.397 10 10 DECE COc1ccc(Br)c(CN(C)C2CC(N)C2)c1O 2220453365 FCPLHEPYSHTBSQ-UHFFFAOYSA-N 315.211 2.085 10 10 DECE COc1ccc(Br)c(CN[C@@H]2CCC[C@H]2O)c1O 2220462011 FLQHQVGQEUBZSW-GHMZBOCLSA-N 316.195 2.166 10 10 DECE CCCS(=O)(=O)C[C@@H](C)NCc1cnc(SC)s1 2257093913 PIRAOASCBOHDTD-SECBINFHSA-N 308.494 2.168 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)c(Br)c1 2258334911 WAMPGUXUBXKWGP-GJTWSCIVSA-N 312.207 2.319 10 10 DECE CC(C)CN1CCC[C@@H]1CNC(=O)C=Cc1ccc(O)c(O)c1 2307989563 CHZGJSUFXRVFMY-OAHLLOKOSA-N 318.417 2.348 10 10 DECE OC[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)[C@@H]2C[C@H]12 2309228136 CCTLWXNHVXWWBE-WKSBVSIWSA-N 312.207 2.261 10 10 DECE Cc1ccc([C@](C)(O)CNCc2cc3c(cc2O)OCO3)o1 174491094 SEZLKZYJYLCLEX-MRXNPFEDSA-N 305.330 2.020 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCN1CCO 190246811 UXMFXHQIZOQPIJ-QGZVFWFLSA-N 317.477 2.175 10 10 DECE CSc1ncc(CN[C@@]2(C(=O)O)CCOCC[C@H]2C)s1 2371274162 KCGYSLFCAOZTEE-RNCFNFMXSA-N 316.448 2.225 10 10 DECE C[C@H](NC[C@H](O)[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 527958351 VHGQCDJJTACUKT-UYHISHBKSA-N 305.418 2.462 10 10 DECE Cc1ccc(C(=O)NCCCNC(=O)OC(C)(C)C)c(O)c1O 267568694 IFNAOZGRCRJODB-UHFFFAOYSA-N 324.377 2.051 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H]2C(F)F)c1 806015934 ZWVVLMLCHUTJPL-SWPVVBRQSA-N 300.305 2.415 10 10 DECE COc1ccc(N2CCN(C(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 819005156 XNIFWQFNAWAHEE-IJDCCNJMSA-N 316.401 2.079 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1 905105250 VEEPGLCEUGHMIB-WMLDXEAASA-N 318.417 2.159 10 10 DECE Cn1cc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 733970574 ZRGFSFAJNALKHM-YIEVGGLXSA-N 312.373 2.041 10 10 DECE Cc1nocc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 839145931 VJFNJMMLBLROFI-UHFFFAOYSA-N 323.343 2.388 10 10 DECE Cc1cc(Br)c(O)c(CN2CN(C)C(=O)[C@H]2C)c1 843435881 VLXZVVNBSIONBC-SECBINFHSA-N 313.195 2.083 10 10 DECE CC(C)(C)OC(=O)N1CCNC[C@H]1c1c(O)cccc1[N+](=O)[O-] 1952758946 ILDNXCVYVTVZFC-NSHDSACASA-N 323.349 2.182 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]1c1cccc(O)c1O 1952822822 DLATVMJMJIJHFJ-JQWIXIFHSA-N 323.345 2.481 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H](OC)C3)C2)cc1 855222962 DTJSDAZKUMRHJD-JKIFEVAISA-N 318.417 2.205 10 10 DECE CN(C)c1cc(F)c(CNCC2(C)OCCCO2)cc1F 858160702 NFQYLRUBRPEMOD-UHFFFAOYSA-N 300.349 2.274 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)on3)C2)cc1 853817475 GRZCCZSBNHGGLU-LBPRGKRZSA-N 316.361 2.392 10 10 DECE COc1ccc(N2CC[C@@H](Nc3cc(C)nc4ncnn34)C2)cc1 853759104 PEKCYIQAJZSHCX-CYBMUJFWSA-N 324.388 2.132 10 10 DECE COc1ccc(CNC(=O)NCCC2CC(OC)C2)c(O)c1 852415642 RENJZEAIQIQOLA-UHFFFAOYSA-N 308.378 2.015 10 10 DECE C[C@@H](NCc1ccc(N)nc1)c1ccc(N2CCOCC2)cc1 930209854 JLOVQJBLYQSNRB-CQSZACIVSA-N 312.417 2.351 10 10 DECE CCO[C@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C1CC1 867836057 CIRZJEVYTSABRH-XHDPSFHLSA-N 313.419 2.188 10 10 DECE CN(C)c1cc(F)c(CNC2(c3nn[nH]n3)CCCC2)cc1F 862293729 NXKWADJMQQYBGW-UHFFFAOYSA-N 322.363 2.103 10 10 DECE Cc1cc(CN2CCO[C@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 863325032 QPCJHXFYLXPDFI-CQSZACIVSA-N 320.433 2.074 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCOC[C@@H]1C 763619934 PYOJRRJAPDXDLN-XJKSGUPXSA-N 305.422 2.285 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)Cc1n[nH]c(C)c1C 895059884 ZRJDYGPUJDEVBY-UHFFFAOYSA-N 317.389 2.297 10 10 DECE Oc1c(Br)cccc1CN1CCCn2nncc2C1 895757553 XKDBEJLQGQCSEK-UHFFFAOYSA-N 323.194 2.152 10 10 DECE Oc1ccc(CNC[C@H]2CCN2Cc2ccccc2)c(O)c1O 716298003 JRPWXKGDJAVAQY-OAHLLOKOSA-N 314.385 2.168 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Nc1ccc(N)cc1 1959353298 SZHLTJLIVMLBPE-FZMZJTMJSA-N 307.394 2.220 10 10 DECE O=C1C[C@H](NCc2cc(Cl)cc(F)c2O)CN1CC1CC1 1331581619 STLKEZUQGGJRKW-LBPRGKRZSA-N 312.772 2.285 10 10 DECE COc1cc(Cl)cc(CN[C@H]2CC(=O)N(CC3CC3)C2)c1O 1331579012 FXLATGXYMYSKSD-ZDUSSCGKSA-N 324.808 2.155 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C[C@H]2CC[C@H](F)C2)C1 1912146421 RRJOSKDQKOLDQU-SRVKXCTJSA-N 304.391 2.477 10 10 DECE Cc1nn(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C 1290989251 VAVIQOHHRKVWML-UHFFFAOYSA-N 300.322 2.452 10 10 DECE C[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCNC1=O 2136072834 KIUUKFHRPXNJHY-ZDUSSCGKSA-N 303.189 2.315 10 10 DECE C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1O 1454809311 ZZADSSPGSNWKSS-BMIGLBTASA-N 316.313 2.211 10 10 DECE C[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCNC1=O 2136072833 KIUUKFHRPXNJHY-CYBMUJFWSA-N 303.189 2.315 10 10 DECE Cn1cc(C(=O)NCc2c(O)cccc2O)c(-c2ccoc2)n1 1472063977 QYLZNQGXIOTWBY-UHFFFAOYSA-N 313.313 2.021 10 10 DECE CN(C)c1ccc(-c2nc(CO)c(Br)n2C)cc1 217267031 SCHZTIQSSCLKLJ-UHFFFAOYSA-N 310.195 2.408 10 10 DECE CCN(CC)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1632748253 IEXFSPJQZSUUOB-LLVKDONJSA-N 305.382 2.309 10 10 DECE Cc1cccnc1C(F)(F)C(=O)NCc1c(O)cccc1O 1635848082 ZJKLQTLIYQGQNO-UHFFFAOYSA-N 308.284 2.209 10 10 DECE CN(C)[C@H](CC(=O)NCc1c(O)cccc1O)c1ccccc1 1645363143 NMXOXMGWKFKOAO-OAHLLOKOSA-N 314.385 2.407 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ccc2nn[nH]c2c1 1643283078 FOZBRKXEDFFJKL-UHFFFAOYSA-N 319.324 2.142 10 10 DECE CC(=O)NCCNC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 1874025795 FGMROPBFZUBWKG-UHFFFAOYSA-N 313.401 2.268 10 10 DECE CN(Cc1cc(N)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1977888065 LUTDFGAFSHBEGF-AWEZNQCLSA-N 321.421 2.416 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)NCCN=[N+]=[N-] 1985100913 KXCXDWLYLBHFBQ-TUAOUCFPSA-N 323.397 2.449 10 10 DECE CCCNCc1cc(F)c(N2CCS(=O)CC2)c(F)c1 62712867 SBTPBQMMAXTMGO-UHFFFAOYSA-N 302.390 2.033 10 10 DECE CN(Cc1cccc(Br)c1O)[C@H]1CN2CC[C@H]1C2 2040874560 OLIAREDXJXSHCA-GWCFXTLKSA-N 311.223 2.291 10 10 DECE C[C@H](C[C@H]1CCCS1(=O)=O)NCc1c(O)cccc1Cl 2156774924 GEMNICDUAFDSSG-GHMZBOCLSA-N 317.838 2.491 10 10 DECE CNCc1ccc(N2CCSC[C@@H]2CCO)cc1Cl 689654191 GVXQNLGJYITUCY-ZDUSSCGKSA-N 300.855 2.364 10 10 DECE O=C(O)[C@@]12C[C@H]1CN(Cc1ccc(Br)cc1O)C2 693216474 YPFCUHPWJOVFPN-TVQRCGJNSA-N 312.163 2.061 10 10 DECE CS[C@@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@H]1N(C)C 2177382320 ZAQBDCDLXAREJW-ZIAGYGMSSA-N 317.861 2.420 10 10 DECE OCc1ccc(N2C[C@@H]3C[C@H]2CN3CC(F)F)c(Cl)c1 2188326637 BRTMCSNOTILWQR-QWRGUYRKSA-N 302.752 2.360 10 10 DECE Oc1cccc(CNCCc2cc(Br)no2)c1O 2221471694 PXIMVTXISRAIMD-UHFFFAOYSA-N 313.151 2.181 10 10 DECE COC(=O)C1=C(C)NC(=O)C1=Cc1cccc(Br)c1 2297308006 PSQWEVGHXMIKOI-UHFFFAOYSA-N 322.158 2.409 10 10 DECE C[C@@H]1C(=O)N(c2ccc(F)c(Br)c2)N=C1C(=O)O 2317773204 KFNAFKLPVRGLEA-YFKPBYRVSA-N 315.098 2.012 10 10 DECE CNCc1cc(F)c(N(CCOC)[C@@H](C)COC)c(F)c1 62713474 ZXRAMTUYPPPTBO-NSHDSACASA-N 302.365 2.172 10 10 DECE Nc1ccc(NC(=O)C[S@@](=O)c2ccc(F)c(F)c2)cc1 40968972 NZOWOMQLYUNKSV-NRFANRHFSA-N 310.325 2.293 10 10 DECE Oc1cc2c(cc1CN1CC[C@@]3(O)CCCC[C@H]3C1)OCO2 247035948 MKLIBPXYEOSIDD-GUYCJALGSA-N 305.374 2.248 10 10 DECE CC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H](O)C(F)F 295104863 UDOXFYWWPOLYGN-KCJUWKMLSA-N 324.711 2.448 10 10 DECE C[C@@H](NCc1cc(Cl)cc(F)c1O)C1(S(C)(=O)=O)CC1 809703150 GCBJYORBIUMMBE-MRVPVSSYSA-N 321.801 2.240 10 10 DECE Cn1cc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cn1 295062772 ADPBPAHAEMXWPH-UHFFFAOYSA-N 324.787 2.240 10 10 DECE COc1cccc(CNC(=O)NC[C@]2(C)CC2(F)F)c1O 822423926 NMNHFILVAYIFCM-ZDUSSCGKSA-N 300.305 2.245 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCF)C2)cc1 824680906 AGTIUYRENVJKDW-ZDUSSCGKSA-N 309.385 2.132 10 10 DECE Cc1cc(N(C)C)ccc1CNCCCCN1CCOCC1 840930944 QFGSJNFLBOQXIJ-UHFFFAOYSA-N 305.466 2.263 10 10 DECE Nc1ccc(Cc2noc(Cc3cn4c(n3)CCCC4)n2)cc1 844906252 MUSOLTAVKUYZBH-UHFFFAOYSA-N 309.373 2.366 10 10 DECE CCN1CC[C@H]2OCCN(Cc3cc(C)cc(C)c3O)[C@H]2C1 840084771 YPGGDJOABBKXSY-DLBZAZTESA-N 304.434 2.304 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCN1C1CCCC1 923450174 FSPAJQLOKXQFMO-ZDUSSCGKSA-N 321.396 2.347 10 10 DECE C/C=C\C[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)OCC 763366235 QLOIEHKTYRUTSI-SCXUMTSISA-N 323.389 2.397 10 10 DECE Oc1cccc2c1[C@H](NCc1nc(C3CCOCC3)n[nH]1)CC2 866439339 FUFWYNWYCKOXAB-CYBMUJFWSA-N 314.389 2.181 10 10 DECE C[C@H](CC(=O)NCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 768914042 MZOLUUJGBSHRNK-SNVBAGLBSA-N 324.377 2.017 10 10 DECE COc1cccc(CNC[C@@H](O)Cc2ccc(F)cc2)c1O 886239002 NPPFSMXVLHBENQ-HNNXBMFYSA-N 305.349 2.233 10 10 DECE CO[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C 784668603 RRGCFDNTWREPOW-APWZRJJASA-N 317.477 2.295 10 10 DECE 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10 10 DECE C[C@@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1O 827923017 HRTLAAQTASTULP-RSAASHCRSA-N 320.414 2.023 10 10 DECE CC(C)OC[C@@H](CO)N(C)C/C=C\c1ccc(N(C)C)cc1 835054832 ZKAVQDVUWHYADZ-HPFMTEOYSA-N 306.450 2.484 10 10 DECE CN(C)c1ccc(/C=C\CNCC2CCS(=O)(=O)CC2)cc1 835040394 CAKIYTJMJLAQTL-ARJAWSKDSA-N 322.474 2.180 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2CCCCS2(=O)=O)cc1 835048806 ZLTAXYIWZMDQSZ-RTRPANQVSA-N 322.474 2.323 10 10 DECE COC(=O)[C@@H]1CCN[C@@H]1c1cc(Br)cc(F)c1O 1952852420 JGYGRQNCSBCZDH-XCBNKYQSSA-N 318.142 2.117 10 10 DECE C[C@@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1O 926635599 PNUCRBPRJJRASU-RQJABVFESA-N 302.374 2.344 10 10 DECE Fc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nn1 857225593 VHEPSTXSJJWRCG-UHFFFAOYSA-N 306.316 2.204 10 10 DECE Cc1cc(Cl)cc([C@@H](C)N[C@@H](CO)c2ccnn2C)c1O 858435586 MJYFECMKIPLGAK-MFKMUULPSA-N 309.797 2.472 10 10 DECE COc1cc2c(cc1C(=O)NCc1ccccc1O)OCO2 759957359 CHAFGFMAWDVSNB-UHFFFAOYSA-N 301.298 2.060 10 10 DECE COc1cccc(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)c1O 850353366 BDJYKQPGCGCAJM-AEGPPILISA-N 309.406 2.057 10 10 DECE COCc1n[nH]c(CN[C@H](C)c2cc(Cl)cc(C)c2O)n1 850513761 JCNUDUQGPLIMHG-SECBINFHSA-N 310.785 2.469 10 10 DECE CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)[C@H]1CCOC1 869147233 OUFKNXRXCZOSJK-IINYFYTJSA-N 313.781 2.103 10 10 DECE CCO[C@@H](CNCc1ccc(N2CCCC2)cc1)CN(C)C 1119614495 BRIBZFAFMXMCPO-SFHVURJKSA-N 305.466 2.343 10 10 DECE OC[C@H]1CC(F)(F)CN1Cc1cccc(Br)c1O 783703222 VKTYLBQIICVDSJ-SECBINFHSA-N 322.149 2.357 10 10 DECE CNc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1F 1137464841 SIEUHMYUFUVUSJ-UHFFFAOYSA-N 304.321 2.251 10 10 DECE OCc1ccc(N2CC(OCC(F)F)C2)c(Br)c1 687944127 HHINZSMOSJJASS-UHFFFAOYSA-N 322.149 2.412 10 10 DECE COc1cc(C)cc(CN2CCN(C(=O)CC(C)C)CC2)c1O 1253613252 ZVJVVCHWTXPGED-UHFFFAOYSA-N 320.433 2.400 10 10 DECE C[C@H](N)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914650215 AMVODFHOZDYYME-LBPRGKRZSA-N 300.358 2.087 10 10 DECE CN(C)[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 1921760213 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2.055 10 10 DECE Cn1cc(Br)nc1CNCc1ccc2c(c1)CCO2 1965870304 KYHIJDBSCWCRHC-UHFFFAOYSA-N 322.206 2.407 10 10 DECE C[C@@H]1C[C@@H](CNCc2c(O)cccc2Cl)CCS1(=O)=O 1966091224 SUVOKBHJHIRFLC-MNOVXSKESA-N 317.838 2.349 10 10 DECE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccnn1Cc1ccccc1 1994373565 FBGZVTDUJIIBNE-OAHLLOKOSA-N 314.349 2.131 10 10 DECE CCN[C@@H](C)c1ccc(N(CCO)CCOC)c(Cl)c1 164367521 ZBTSKYBMKUCUCG-LBPRGKRZSA-N 300.830 2.456 10 10 DECE Nc1ccc(CCNC(=O)c2ccc(Br)cn2)cc1 61860187 PGFQLVGEUFIDAY-UHFFFAOYSA-N 320.190 2.399 10 10 DECE CCn1nnc(Br)c1C(=O)Cc1ccc(N)cc1 2038782982 YQOLPSABJHMAMJ-UHFFFAOYSA-N 309.167 2.068 10 10 DECE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1cccc(Cl)c1O 2156773772 AGOCGCYHTNJCQL-JQWIXIFHSA-N 317.838 2.491 10 10 DECE CC(F)(F)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2160136634 LFOJHAGFGSHQBR-LLVKDONJSA-N 304.362 2.076 10 10 DECE CN(CC[S@](C)=O)Cc1cc(Br)cc(F)c1O 715796277 PDIDYYLHWLKKTB-KRWDZBQOSA-N 324.215 2.104 10 10 DECE COCCO[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177390396 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188768678 WTBRXZKIVZKUDZ-UHFFFAOYSA-N 316.405 2.245 10 10 DECE CN(C)c1ccc(CNC(=O)c2cccc(-n3ccnc3)n2)cc1 181062312 ITFWJMNHBWTQHD-UHFFFAOYSA-N 321.384 2.263 10 10 DECE C[C@H](NCCCCCO)c1ccc(N2CCC(O)CC2)cc1 192933606 WVNPCCOWJFKSHP-HNNXBMFYSA-N 306.450 2.461 10 10 DECE CCS(=O)(=O)CCCn1ccc2c(C[C@@H](C)N)cccc21 86981376 BJOOHQRZYQCTTE-CYBMUJFWSA-N 308.447 2.356 10 10 DECE CO[C@@H]1CN(c2ccc(CO)cc2Cl)[C@H](CF)[C@H]1OC 2366528281 OJYWUNFXMGAUDQ-MGPQQGTHSA-N 303.761 2.020 10 10 DECE [N-]=[N+]=NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F 379913971 NRZGNAPYKPJRCR-UHFFFAOYSA-N 324.087 2.285 10 10 DECE CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 255680078 ADJXIBOSDOGVAW-SCXUMTSISA-N 320.345 2.396 10 10 DECE COC(=O)/C=C\c1ccc(N2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 255725920 PDDFIEOWQNLTOB-SMYYYNMVSA-N 320.345 2.396 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)CC(C)(C)C 291636505 IHSWBWAMZSXPSA-AAEUAGOBSA-N 309.406 2.332 10 10 DECE COCCN(CCN(C)C)Cc1cc(Cl)c(F)cc1O 293513988 AJAWJVBMZDTQBF-UHFFFAOYSA-N 304.793 2.195 10 10 DECE CN1CCCc2cc(CN[C@H]3CCC(=O)NC3(C)C)ccc21 813856995 PSRMFGGAXJRLAP-INIZCTEOSA-N 301.434 2.216 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc3c(c2)CCO3)CO1 722501132 MSGQHPJEUASMGA-CQSZACIVSA-N 320.389 2.262 10 10 DECE CN(C)c1ccc(/C=C/CN2CCC[C@@H](S(C)(=O)=O)C2)cc1 835048056 YZCRRQSHAJDIQZ-UKINESCASA-N 322.474 2.275 10 10 DECE C[C@H](N[C@@H]1C[C@H](N)C12CCC2)c1ccc(N2CCOCC2)cc1 925483489 ZQLCREHCBZORBD-JCGIZDLHSA-N 315.461 2.444 10 10 DECE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](CC(F)(F)F)O1 856362242 HLYNRSAPMINIGB-IUCAKERBSA-N 319.279 2.280 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@H](C(=O)O)C2CCC2)cc1 854232797 ULFYZRBPZOZGPX-HNNXBMFYSA-N 319.405 2.053 10 10 DECE CCCCN(CC(=O)Nc1cccnn1)Cc1ccccc1O 930350978 LKZFFFLWGGKSFH-UHFFFAOYSA-N 314.389 2.423 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccnn3C)C2)cc1 850489129 QZJZENWEZWTXTD-UONOGXRCSA-N 300.406 2.358 10 10 DECE CCc1cccc(CN[C@H](C[C@@H]2CCCOC2)C(=O)OC)c1O 862515962 GWJHUPHSVPJRIE-XJKSGUPXSA-N 321.417 2.403 10 10 DECE FCC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 862530532 OEFHQOHJEMYWAO-QGZVFWFLSA-N 308.397 2.084 10 10 DECE CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1C[C@@H](C(N)=O)C1 863322523 WQGVMKNKRFUELE-GSJFWJNXSA-N 306.406 2.091 10 10 DECE C[C@@H](O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1119525694 HPPYRIBYCQREGA-BDAKNGLRSA-N 307.371 2.155 10 10 DECE Cc1cc(Br)c(O)c(CN2CCS(=O)CC2)c1 781915360 YRDXALAJUVIMMR-UHFFFAOYSA-N 318.236 2.027 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC=CCC3)c(Br)cc21 167759023 LCRITJCGRDEJIJ-LBPRGKRZSA-N 308.179 2.167 10 10 DECE Nc1ccc(CCNC(=O)c2cccc(Br)n2)cc1 701083909 YWEHGUSQZWMXLY-UHFFFAOYSA-N 320.190 2.399 10 10 DECE Cc1cc(Br)c(O)c(CN[C@@H](C)C(=O)N(C)C)c1 791007048 IKQKVPKXPMMWFN-VIFPVBQESA-N 315.211 2.029 10 10 DECE OCC[C@H]1CSCCN1Cc1c(O)ccc(Cl)c1F 792169955 ODPYILIXPADPGZ-VIFPVBQESA-N 305.802 2.485 10 10 DECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cn(C)nn1 1175805998 RFEBCZBCFZZSSZ-UHFFFAOYSA-N 323.356 2.287 10 10 DECE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1904867716 ITQWHAWRHKLRNN-CABCVRRESA-N 323.437 2.292 10 10 DECE COc1cccc(/C=C2\C(=O)NN(c3cccc(C)c3)C2=O)c1 469158 QKDXFGUNFUIKDT-LFIBNONCSA-N 308.337 2.465 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nnc(C)o2)c1 1639086331 NNBOUEDOFOYZPU-IUCAKERBSA-N 320.349 2.214 10 10 DECE O=C(Cn1cc(Cl)cn1)NCc1ccc2cccnc2c1O 1630531705 BHIIRQZHASVEKF-UHFFFAOYSA-N 316.748 2.107 10 10 DECE COCCN(C[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928472445 PHAQDDXWNMBPNI-ZDUSSCGKSA-N 310.394 2.276 10 10 DECE CCOc1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)c1 1596635993 LJLGQGNWUKTWAS-UHFFFAOYSA-N 315.369 2.398 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@@H](C[C@H](N)c2ccccc2O)C1 1936986438 HWFNVQHZQUDZPW-JSGCOSHPSA-N 322.405 2.418 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1COC[C@H]1C(=O)O 249962855 DPUCXEVUPKBWSC-KOLCDFICSA-N 320.172 2.230 10 10 DECE C[C@H](C[C@@H]1CCCS1(=O)=O)NCc1cc(Cl)ccc1O 2156774152 BJHPAZJFOGOKHJ-MFKMUULPSA-N 317.838 2.491 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@]12CCNC2 2028114570 IEYBUNWOOGTOOL-CQSZACIVSA-N 311.223 2.483 10 10 DECE CCNCc1ccc(N2CC(C)(CO)C2)cc1Br 2039551138 CLACLCGDFBCUOB-UHFFFAOYSA-N 313.239 2.377 10 10 DECE O=C(O)[C@@H](NCc1ccc(Br)cc1O)C1CCC1 691436290 DXALYMNHNRCEOJ-LBPRGKRZSA-N 314.179 2.498 10 10 DECE CN(C)C(=O)c1ccnn1Cc1cccc(Br)c1O 2069902124 TUTADAAGMIPISH-UHFFFAOYSA-N 324.178 2.101 10 10 DECE COc1ccc([C@@H](C)n2nc(C3(C)CC3)c(N)c2N)c(O)c1 2080052722 CTPPMIQJEBJQLW-SECBINFHSA-N 302.378 2.423 10 10 DECE CN[C@H](C)c1cc(F)c(N2CCSC[C@@H]2CO)c(F)c1 2194691880 VYWRSCWFZHBMRL-KOLCDFICSA-N 302.390 2.159 10 10 DECE CCN1CCN(c2ccc(CN)c(Br)c2)[C@@H](C)C1 2043260249 ZQBNJTUEWZRICV-NSHDSACASA-N 312.255 2.438 10 10 DECE CSc1ncc(CNC(=O)COc2ccccc2N)s1 2284497242 FMRPRSYYLFTTQK-UHFFFAOYSA-N 309.416 2.142 10 10 DECE CC[C@H]1[C@H](O)CCN1c1cc(Br)c(CN)cc1F 2260415001 MMLXFMQNEHNMBM-WCQYABFASA-N 317.202 2.397 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCC3(CCC3)NC2)s1 2284504763 OVTPBXLTKXPJCQ-SNVBAGLBSA-N 311.476 2.404 10 10 DECE CCN1CC[C@@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C)C1 2308001611 YHGXERIKQNXSQZ-DZGCQCFKSA-N 318.417 2.300 10 10 DECE CCOc1ccc(C=C2SC(=S)N(CCO)C2=O)cc1 2323676309 IWSGFMLQNSUDQK-UHFFFAOYSA-N 309.412 2.279 10 10 DECE CCc1n[nH]c(=NCc2ccc(C)c(Br)c2O)o1 2327789843 PGIBJUMIXWISHW-UHFFFAOYSA-N 312.167 2.443 10 10 DECE COc1ccc(O)c(CN(CCO)Cc2ccccc2OC)c1 179752314 ABVBBXHGDIBOAO-UHFFFAOYSA-N 317.385 2.404 10 10 DECE CC(=O)Oc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 59452994 GSPYKEHFOCHJGD-UHFFFAOYSA-N 315.281 2.268 10 10 DECE O=C(CNCc1ccccc1O)N1CCc2sccc2C1 105484073 ALLIXQKKBNQSIA-UHFFFAOYSA-N 302.399 2.128 10 10 DECE COCCOC[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 173396716 VGHXGAOBISRPMM-AWEZNQCLSA-N 305.418 2.366 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@H](c2c(O)cc(O)cc2O)CC1 1952076600 IFGZVXPQYQFKTE-NSHDSACASA-N 324.377 2.075 10 10 DECE Oc1cccc(Cl)c1CN1CCN(c2cccnn2)CC1 127974494 CRZOUDOTIUSQEV-UHFFFAOYSA-N 304.781 2.158 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1ccc(O)c(O)c1 1952210944 AOFFAZXHZAYJSN-GFCCVEGCSA-N 308.378 2.369 10 10 DECE COc1nc(OCc2ccc(N)cc2)ncc1Br 235017718 SFXDTPNEBBCBDJ-UHFFFAOYSA-N 310.151 2.409 10 10 DECE CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O 528212002 JGBHOQUJPCZAQS-JJMVLAAESA-N 308.378 2.329 10 10 DECE Oc1ccc(F)cc1CN1CCC(CO[C@@H]2CCNC2)CC1 530249627 WTDPKYRONFAKCJ-MRXNPFEDSA-N 308.397 2.122 10 10 DECE COc1ccc(C(=O)OCC(=O)C(C)=O)cc1-c1ccccn1 808528866 RZBKUHIUBPALDQ-UHFFFAOYSA-N 313.309 2.072 10 10 DECE CCOC1CC(O)(CNCc2cc(Cl)c(F)cc2O)C1 294699291 NZIVZTOABLBOIR-UHFFFAOYSA-N 303.761 2.204 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCF 812926123 CEHUHDBXBRFPIZ-UHFFFAOYSA-N 323.412 2.414 10 10 DECE COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)ccc2O)C1 840978825 WLJKSKAIWRCKOS-NSHDSACASA-N 315.822 2.384 10 10 DECE CCOc1ccc(CN2CCNC[C@@H]2c2cccnc2)c(O)c1 843113868 CKEIJOOZAFOAOX-QGZVFWFLSA-N 313.401 2.332 10 10 DECE Cc1cc(Cl)cc(CNCC2(C(=O)O)CCOCC2)c1O 843038465 HVLGNPPYDQYRAG-UHFFFAOYSA-N 313.781 2.325 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1Cc1ccc(N)cc1 1952914105 OBUADHXVDBCRLY-HUUCEWRRSA-N 305.422 2.409 10 10 DECE C[C@H](NC(=O)N[C@@H]1CNCC[C@H]1C)c1ccc(N(C)C)cc1 841880623 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10 10 DECE CCS(=O)(=O)C1(CNCc2ccc(Cl)cc2O)CC1 1462440520 DFRBDNGWIJGGPG-UHFFFAOYSA-N 303.811 2.103 10 10 DECE O=C(O)C1=C[C@H](c2ccc(N3CCCCC3)cc2)NC(=S)N1 76260813 CDMPBHKZQDSKFI-CYBMUJFWSA-N 317.414 2.164 10 10 DECE CCCCS(=O)(=O)NCc1cc(Br)ccc1O 796190962 HPMLRJLSYAXHCC-UHFFFAOYSA-N 322.224 2.374 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CCN2CCC[C@@H]12 700995309 UGKAWJVEMPBVNM-OLZOCXBDSA-N 311.223 2.481 10 10 DECE C[C@H](N[C@H](C)c1ccc(F)cc1O)C1(S(C)(=O)=O)CC1 797072521 YAIFBXHAPSVUEZ-ZJUUUORDSA-N 301.383 2.148 10 10 DECE C[C@H](O)c1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917136256 OBLLSWSPEMCEDS-TVQRCGJNSA-N 318.186 2.413 10 10 DECE CCc1nc(C)ncc1C(=O)NCc1ccc(N(C)C)c(F)c1 1358003389 BGDTUWZTDJHEKP-UHFFFAOYSA-N 316.380 2.483 10 10 DECE COc1ccccc1[C@H](O)C(=O)N(C)Cc1ccccc1O 1294678773 NMSRUFAGQQLKDZ-INIZCTEOSA-N 301.342 2.093 10 10 DECE CON1CCN(c2ccc([C@H](C)O)c(Br)c2)CC1 1915550965 IURSFKVRZJDQPZ-JTQLQIEISA-N 315.211 2.186 10 10 DECE CNC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1539467838 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OC[C@H](NCc1ccc(Br)cc1O)C(F)(F)F 1942831365 LFNPFDCHHCKMAC-VIFPVBQESA-N 314.101 2.168 10 10 DECE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@@H](CF)[C@H]1O 1899864380 KSMMCGOXUKDSFQ-RCCFBDPRSA-N 317.360 2.146 10 10 DECE O=[N+]([O-])c1cc(N2CC(OCc3ccccc3)C2)ccc1CO 1987996470 XBUKCMJXNUYBJV-UHFFFAOYSA-N 314.341 2.493 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNCc1ccc(O)cc1O 1992539235 AMKXRLHETPEAAZ-CYBMUJFWSA-N 320.389 2.363 10 10 DECE Cc1nn(C)cc1CNCc1c(O)cccc1Br 706808441 PDBSJXWNAFNSTE-UHFFFAOYSA-N 310.195 2.486 10 10 DECE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)c(Cl)c1 2167830340 CZUGWAXTGDPTRJ-UHFFFAOYSA-N 316.854 2.202 10 10 DECE CNCc1ccc(N2CC[C@@H]2CN(C)C)cc1Br 2042681719 DZYQAHZICQJEQQ-CYBMUJFWSA-N 312.255 2.309 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)c(Br)c1 2061579370 UTBRGLRHVLSZEH-IXLVHKGHSA-N 311.223 2.143 10 10 DECE COc1ccc(N2CC[C@H]2[C@@H](C)O)c(OC)c1Br 2219392540 VWUXCMANTFWCAS-BDAKNGLRSA-N 316.195 2.426 10 10 DECE C[C@@H](CO)CC1CN(c2ccc(CO)c(Br)c2)C1 2222850170 IYNREHMTIJDKDP-SNVBAGLBSA-N 314.223 2.396 10 10 DECE CCCN=c1cc(C)[nH]c(=NCc2cnc(SC)s2)[nH]1 2284719942 ICWJKQXTZIEAGC-UHFFFAOYSA-N 309.464 2.241 10 10 DECE COc1cc(Cl)cc(CN(C)CC(F)(F)C(=O)O)c1O 2295338441 WVAPPYJHXVLEQR-UHFFFAOYSA-N 309.696 2.206 10 10 DECE CN(Cc1ncc(Cl)n1C)C(=O)C=Cc1ccc(O)c(O)c1 2308009486 VQTBYXFZKIIJTN-UHFFFAOYSA-N 321.764 2.157 10 10 DECE CC[C@H](C)NC(=O)Nc1cc(N2CCOCC2)ccc1OC 62274210 LIJJFEOIJFVESM-LBPRGKRZSA-N 307.394 2.452 10 10 DECE C[C@@H](NCCCn1cccn1)c1ccc(N2CCOCC2)cc1 126968478 VCICIZCCTKMJHP-MRXNPFEDSA-N 314.433 2.461 10 10 DECE C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccc(N(C)C)cc1 182347829 IIFLXHUOMXVFLM-VIFPVBQESA-N 310.341 2.123 10 10 DECE O=C1CSC(=S)N1c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 196105366 JYTXSMWAMQOTAB-UHFFFAOYSA-N 322.327 2.010 10 10 DECE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1cccc(O)c1O 322994907 SIIFJLRGJPRXFU-SNVBAGLBSA-N 312.325 2.081 10 10 DECE Cc1n[nH]c(=O)nc1N1CC=C(c2c[nH]c3ccccc23)CC1 96639002 IUTNVGSDELYXMZ-UHFFFAOYSA-N 307.357 2.248 10 10 DECE CNCc1ccc(N(CCO)CC(F)F)cc1Br 234411012 WLSOJBXRBXRQNV-UHFFFAOYSA-N 323.181 2.232 10 10 DECE C[C@@H](N)c1ccc(N(C)CCN(C)C)cc1Br 235168093 GDAFKOOQTMQNHZ-SNVBAGLBSA-N 300.244 2.467 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)N1CCCC[C@H]1C 252454819 KEVJKYTUZOQPOY-CYBMUJFWSA-N 311.451 2.210 10 10 DECE COc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1OC 492476176 SJMFDQMOAHPAMU-QPJJXVBHSA-N 314.341 2.481 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N(C1CC1)[C@H]1CCNC1 841828278 RPXANLMSKGYFKV-KRWDZBQOSA-N 316.449 2.097 10 10 DECE COc1cc(CN2CN(C)C(=O)[C@H]2C)c(O)c(C(C)(C)C)c1 842641944 REKZPFPXILACAN-LLVKDONJSA-N 306.406 2.318 10 10 DECE CCCN(CCC)c1ccc([C@H]2NC(=O)[C@H](COC)N2C)cc1 840828697 KUWCVMOBXVEZSY-IRXDYDNUSA-N 319.449 2.388 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3CCCO3)C2)cc1 855231762 LWRBWYRVLZQOOK-YOEHRIQHSA-N 318.417 2.349 10 10 DECE CCN1CCC(N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 850488431 MRSZFKSYQDUITP-MRXNPFEDSA-N 303.450 2.348 10 10 DECE O=C(CCNC(=O)C1CCCCC1)NCc1c(O)cccc1F 928711650 KOHGBPSYEQZRNE-UHFFFAOYSA-N 322.380 2.234 10 10 DECE C[C@@H](NCc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 922014112 FXVYZNCFJNEJTJ-CYBMUJFWSA-N 300.406 2.330 10 10 DECE CN(C)C1(C)CCC(NC(=O)NCc2ccccc2O)CC1 869008890 XNRVHILHNOZVIU-UHFFFAOYSA-N 305.422 2.454 10 10 DECE CN(C)c1ccc(CN(C)c2c3c(nc4ncnn24)CCC3)cc1 865413909 CTOFYBPYKHVFOW-UHFFFAOYSA-N 322.416 2.315 10 10 DECE CO[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(O)cc1 765973415 HLQSTJRABYYIQK-KRWDZBQOSA-N 314.385 2.462 10 10 DECE Cc1cc(Cl)cc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O 776221909 XEPKJNAAFBNFDI-FZZIBODNSA-N 308.809 2.453 10 10 DECE CN1CCN(c2ccc(CNC[C@@H]3CCC(C)(C)O3)cc2)CC1 778208514 MTLLHBUUDHZSGK-SFHVURJKSA-N 317.477 2.486 10 10 DECE C[C@@H](CCO)N(C)c1ccc(CN)c(Br)c1F 1917027536 HCSKQNSUGHFYSL-QMMMGPOBSA-N 305.191 2.254 10 10 DECE COc1cc(C)c(C(=O)NCc2ccc(O)cc2O)cc1OC 1162278525 JZYGWCYHUOCVTC-UHFFFAOYSA-N 317.341 2.353 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCC1CS(=O)(=O)C1 1320750275 IWIVITORSLURQA-AAEUAGOBSA-N 309.431 2.273 10 10 DECE Nc1cc(F)c(Cl)cc1C(=O)NCc1cccc(O)c1O 1455317533 UYYQZUFZCNRSHL-UHFFFAOYSA-N 310.712 2.403 10 10 DECE C[C@@H]1C[C@@](O)([C@@H](N)c2ccccc2O)CN1Cc1ccccc1 1920449308 BGPZQLXEHFKJFS-CCKFTAQKSA-N 312.413 2.418 10 10 DECE COC(=O)/C=C(CC(=O)OC)/N=N/c1ccc([N+](=O)[O-])cc1 1615945452 QYDCEXWPNPMKRZ-YFLNMOBYSA-N 307.262 2.299 10 10 DECE O=C(NCc1c(O)cccc1O)c1cnc([C@@H]2CCCO2)s1 1472063032 COOSWNWCNZLVAK-LBPRGKRZSA-N 320.370 2.336 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCOc2c(F)cccc21 1545639591 VJIUGELAXWADJZ-GFCCVEGCSA-N 317.316 2.419 10 10 DECE CC[C@@H](CNC(=O)c1ncc[nH]1)NCc1ccc(OC)c(C)c1 1715060109 ZKHPBXCXTUFNRI-AWEZNQCLSA-N 316.405 2.025 10 10 DECE Cc1csc([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)n1 1633644790 YXXWEJVXINAQFU-SECBINFHSA-N 306.387 2.325 10 10 DECE Cc1ccc2ncc(C(=O)N[C@@H](C)c3ccccc3O)c(=O)n2c1 1632250146 LMIDVNYWCOZRGY-LBPRGKRZSA-N 323.352 2.200 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1noc2cc(F)ccc12 1588154331 MMZFAQUMVALJCH-UHFFFAOYSA-N 316.288 2.237 10 10 DECE C[C@@H](OCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1651223166 YDKJHNAEAVIFRP-GFCCVEGCSA-N 301.342 2.319 10 10 DECE COc1ccccc1CONC(=O)NCc1c(O)cccc1F 1682028814 WWOPUXKFPMKMQG-UHFFFAOYSA-N 320.320 2.471 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 1772907039 DCOONGSUCZXFMD-WRLNGNIRSA-N 320.345 2.132 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H]3CCO[C@@H]3C)c(Cl)cc21 159711293 ZQQPAXAZMLLDBM-XOZVTBISSA-N 309.797 2.166 10 10 DECE CC[C@]1(O)CCN(c2ccc(CO)c(Br)c2)C1 1945550976 HEWARKWNRBLSIB-ZDUSSCGKSA-N 300.196 2.293 10 10 DECE Cc1cccc(CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c1O 1994456737 PNLGHYPDNWHZER-LBPRGKRZSA-N 322.405 2.478 10 10 DECE C[S@](=O)CCCCNCc1ccc(Br)cc1O 2001791490 RHFKUTRIEPWBPQ-KRWDZBQOSA-N 320.252 2.403 10 10 DECE C[C@]1(N)CCN(Cc2cc(Br)cc(F)c2O)C1 715791989 MUWJGNIRKNIVHA-LBPRGKRZSA-N 303.175 2.217 10 10 DECE Cc1cc(O)n2ncc(C(=O)N(CC3CCC3)C(C)C)c2n1 2062669129 COLHEVRCQWUIJH-UHFFFAOYSA-N 302.378 2.394 10 10 DECE CN[C@@H](C)c1cc(F)c(N2CC(C[S@](C)=O)C2)c(F)c1 2194691255 QRROYYQHNRFYHD-LXGOIASLSA-N 302.390 2.060 10 10 DECE C[C@H](O)c1ccc(N2CCN(C)[C@H]3C[C@@H]32)c(Br)c1 2049407752 JEATXVWXFWCERS-HERUPUMHSA-N 311.223 2.395 10 10 DECE C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ccc(CN)cc1Br 2218430816 CHGGLRXVFWEMEB-BPNCWPANSA-N 311.223 2.257 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cnc(Br)cn1 2221595949 LWGHYJFYBIFRDC-ZETCQYMHSA-N 311.143 2.154 10 10 DECE C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc(CN)cc1Br)C2 2258348828 NFHVMVVIFPSDCN-YABSGUDNSA-N 311.223 2.115 10 10 DECE COCCc1nsc(CNCc2cnc(SC)s2)n1 2269189197 XJRCKFLSKXGCGQ-UHFFFAOYSA-N 316.477 2.195 10 10 DECE CSc1ncc(CNC(=O)NC2(C(=O)O)CCCC2)s1 2284500034 OOEQJKLFNRMIIJ-UHFFFAOYSA-N 315.420 2.062 10 10 DECE Cc1ccc(CNC(=O)c2ccn(C)n2)c(O)c1Br 2352629699 XVTUNSNEJXXMIZ-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Cc1ccc(CNC(=O)Cc2cc[nH]n2)c(O)c1Br 2352639230 VVRHXPWMCSKFHH-UHFFFAOYSA-N 324.178 2.045 10 10 DECE CCN(CC)Cc1ccc(C(=O)NCc2cccc(O)c2O)o1 1348046666 IJMRPUUZWNKGLE-UHFFFAOYSA-N 318.373 2.463 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C#N 183486844 MMNBBWMIAPCQNO-VIFPVBQESA-N 302.355 2.392 10 10 DECE COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 185830266 XIIAVCYTTHJIJN-CFNZNRNTSA-N 320.345 2.396 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1ccc([N+](=O)[O-])cc1O 1952446817 CMSUSQVIDFLIKS-BXKDBHETSA-N 323.349 2.310 10 10 DECE CCN(CC)C(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 41380203 MSDFQBNMKWOCCY-UHFFFAOYSA-N 319.405 2.042 10 10 DECE COC(=O)C[C@@H](N)c1c(Br)ccc(Cl)c1O 95716293 LMVXHFIDSMEFTM-SSDOTTSWSA-N 308.559 2.371 10 10 DECE CC(C)CCNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 243082172 IRJOSBMIFSIINQ-UHFFFAOYSA-N 319.405 2.293 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)CCOCC1CC1 433967766 NGNZLYRMLQJEPJ-UHFFFAOYSA-N 304.390 2.295 10 10 DECE C[C@H]1[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 297363856 LSLYXKTUESQCAC-KGLIPLIRSA-N 303.406 2.073 10 10 DECE Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c(O)c1O 804373801 ZXHNWBDFIXHJJN-SCZZXKLOSA-N 319.279 2.198 10 10 DECE 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CCC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223565 BXWGIKRFFCXBMQ-CZUORRHYSA-N 306.406 2.205 10 10 DECE CCOc1ccc(O)c(CN2C[C@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)c1 863653517 MJEGNSYOMVYOGY-OSMBCOQSSA-N 302.418 2.221 10 10 DECE COC[C@H](C)OC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 866429173 DLXXJFISQAYWEH-AWEZNQCLSA-N 322.405 2.127 10 10 DECE CCCN(CCC)c1ccc(CNC[C@@]2(O)CCN(C)C2)cc1 762555285 DHIJMKGTNWVUBZ-IBGZPJMESA-N 319.493 2.469 10 10 DECE Cc1ccc2nc(CNC(=O)c3c(F)ccc(O)c3O)[nH]c2c1 764655535 DSFKIDFSNFINQU-UHFFFAOYSA-N 315.304 2.352 10 10 DECE CC(=O)OCC(C)(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773744143 NGYJWRPFKSTDLF-NSHDSACASA-N 323.389 2.124 10 10 DECE COC(=O)c1c(CN(C)[C@@H](C)CCO)c2cc(F)ccc2n1C 895149601 MCEGXCBUEFFTMH-NSHDSACASA-N 322.380 2.307 10 10 DECE Cc1cc(CNC(=O)c2cn(C)c(O)n2)c(C)n1-c1ccccc1 1132267369 HEAXULPJOLFRHN-UHFFFAOYSA-N 324.384 2.463 10 10 DECE COC(=O)[C@@H]1[C@@H](CNCc2cc(Cl)ccc2O)C1(F)F 895140298 PNYZAVBJEAJARG-KOLCDFICSA-N 305.708 2.190 10 10 DECE CN(CCNCc1ccc(O)c(O)c1O)Cc1ccccc1 386940910 VSSWRSYNSXSIIW-UHFFFAOYSA-N 302.374 2.025 10 10 DECE CN(C[C@]12COC[C@@H]1C2)c1ccc(CN)cc1Br 689290705 HSGUAZLWZOOFLY-SMDDNHRTSA-N 311.223 2.381 10 10 DECE C[S@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1156278391 VTUWXQICYYXKHN-OAQYLSRUSA-N 305.355 2.324 10 10 DECE O=C(NCc1c(O)cccc1F)c1cnn(-c2ccncc2)c1 1303876241 YBERMPNZKXNYNO-UHFFFAOYSA-N 312.304 2.042 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 1326946475 RBPPLPJJIBWUDW-JKSUJKDBSA-N 324.380 2.023 10 10 DECE C[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914196978 NWVXAHCEMKBIEX-LBPRGKRZSA-N 301.342 2.121 10 10 DECE C[C@@H](N)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914650214 AMVODFHOZDYYME-GFCCVEGCSA-N 300.358 2.087 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)c2ccccc2O)C1 1921827457 LFPHFRLSCLEIIG-RHSMWYFYSA-N 322.405 2.154 10 10 DECE C[C@@](NC(=O)c1cc(O)cs1)(C(N)=O)c1cccc(Cl)c1 1544940535 OKTICYIBQLWUFD-AWEZNQCLSA-N 324.789 2.238 10 10 DECE Cc1nc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 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O=C1CCC[C@H](CNCc2cc(Cl)cc(Cl)c2O)N1 2089315655 RJLUKKPESOBSSK-SNVBAGLBSA-N 303.189 2.457 10 10 DECE Nc1ccc(OCCCN2CCC(C3OCCO3)CC2)cc1 2089597717 UZEZCOJGBCAGPS-UHFFFAOYSA-N 306.406 2.123 10 10 DECE CC[C@@H](N)CN(C)Cc1c(Br)ccc(OC)c1O 2220455827 GLLOWAPEDQKPQW-SECBINFHSA-N 317.227 2.332 10 10 DECE COC1(CSc2ncc(C[C@@H](C)N)s2)CCOCC1 2265546367 LYJRJHGUEGBLJL-SNVBAGLBSA-N 302.465 2.321 10 10 DECE COc1ccc2c(c1)N(C(=O)/C=C/c1cnccn1)C[C@@H](C)O2 491911544 DNEPIVMRIJGJRN-MJRJWQSSSA-N 311.341 2.313 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 2308005794 IDUQXHDPKPSPFW-CSMYWGQOSA-N 315.369 2.185 10 10 DECE Cc1ccc(CN2CCC23CN(C)C3)c(O)c1Br 2327603399 PWEWBIMHHSBXKA-UHFFFAOYSA-N 311.223 2.353 10 10 DECE COc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2N)cc1 106348555 GVRLBGUIJVWUIG-RVDMUPIBSA-N 308.341 2.310 10 10 DECE COCCNCc1cc(F)c(N(C)[C@H](C)COC)c(F)c1 62737328 UJUFLYQFVZOPCT-LLVKDONJSA-N 302.365 2.172 10 10 DECE COC(=O)CCN(Cc1cc([N+](=O)[O-])ccc1O)CC(C)C 173256877 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309.504 2.422 10 10 DECE COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 822082606 NSUDUVNLTCYRNW-BYCMXARLSA-N 304.390 2.129 10 10 DECE Cc1nc(SCCC(=O)N[C@H](C)c2ccccc2O)n[nH]1 827936768 CIQOKJBQGWJTAH-SECBINFHSA-N 306.391 2.178 10 10 DECE C[C@@H](N[C@@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1O 925793065 QLUJRJQJWASHKI-OCCSQVGLSA-N 308.397 2.341 10 10 DECE NCc1ccc2c(c1)CCCN2Cc1nc2c(s1)CNCC2 853245778 CPUJJMYKQIZODZ-UHFFFAOYSA-N 314.458 2.200 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C(OC)OC 923676958 WMZWKOIAUQHQJU-CYBMUJFWSA-N 323.437 2.292 10 10 DECE COCCN1CCC[C@H]1CN[C@@H](C)c1cc(F)cc(F)c1O 756531832 BEHOGKPZBCKIQD-AAEUAGOBSA-N 314.376 2.432 10 10 DECE CO[C@H]1C[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 859010024 QPVBOIUASXGKED-FZNQNYSPSA-N 317.433 2.293 10 10 DECE C[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)c1ccccc1O 868267444 IICYXJMRMMJHEM-MQJDWESPSA-N 312.435 2.300 10 10 DECE Oc1ccc2ccncc2c1CN1CC[C@](O)(C(F)(F)F)C1 762170525 NLSOSRVZESNTKO-CQSZACIVSA-N 312.291 2.440 10 10 DECE CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O 761967329 LZWTUHVFYXTPLT-IUODEOHRSA-N 306.406 2.452 10 10 DECE CN(C)c1ccc(CN2C(=O)CN(C3CCC3)C2=O)cc1F 761183035 QBVIBBUEGVBHRR-UHFFFAOYSA-N 305.353 2.208 10 10 DECE Cc1cc(Cl)cc(CN2CCN(CCO)C(C)(C)C2)c1O 783715721 SVNLLHKZZPNZCE-UHFFFAOYSA-N 312.841 2.243 10 10 DECE Cn1nc(Cl)c(C(=O)NCc2ccccc2O)c1Cl 1137471531 PKGVAIQPRURXHY-UHFFFAOYSA-N 300.145 2.363 10 10 DECE OC[C@@H]1C=CCN1c1ccc(CNC2CC2)cc1Br 2119812616 OCWKGVPIRXGVES-ZDUSSCGKSA-N 323.234 2.438 10 10 DECE C[C@H](C1CC1)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1335556262 HARKSXCIABUKIG-LLVKDONJSA-N 314.385 2.024 10 10 DECE C=CS(=O)(=O)CCC(=O)NCc1ccc(N(CC)CC)cc1 1338203851 KLGUHVPPUFZZKE-UHFFFAOYSA-N 324.446 2.097 10 10 DECE Cn1cc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)cn1 1437287606 LNHJARDKPFGSQW-NSCUHMNNSA-N 305.284 2.137 10 10 DECE COc1cccc(CNC(=O)c2ncc3c(F)cccn23)c1O 1465991715 DXUYFIXMXRRLJX-UHFFFAOYSA-N 315.304 2.118 10 10 DECE C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 1631593726 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C[C@H](N)c1cnc(S[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319433554 USZSEDWNHPDEOX-CIUDSAMLSA-N 306.478 2.221 10 10 DECE Cc1ncc(N)c(=NCc2ccc(C)c(Br)c2O)[nH]1 2352945961 DMABCJCPRNLLMM-UHFFFAOYSA-N 323.194 2.178 10 10 DECE CCCNC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 129874051 TUZFNGSCJDFFML-HNNXBMFYSA-N 319.449 2.090 10 10 DECE Cc1cc(O)c(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1C 92105068 PCEDIHJGHHWYBU-GDBMZVCRSA-N 302.418 2.500 10 10 DECE C[C@H]1C[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1C 279429853 MGFSTYCUXCQGTK-KBPBESRZSA-N 317.433 2.208 10 10 DECE CN(C)c1ccc(CNCCN2C(=O)c3ccccc3C2=O)cc1 272963819 JXSDRFMDMKBBKN-UHFFFAOYSA-N 323.396 2.138 10 10 DECE C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccnn1C 817516707 BKEKZGSYUCJSLE-AWEZNQCLSA-N 312.417 2.440 10 10 DECE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)c(F)c1 811519341 VCPHXEPEQQXWOK-ZMSDIMECSA-N 320.408 2.008 10 10 DECE O[C@]1(C2CC2)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 827152076 QBSCEOWGDVUDOK-LJQANCHMSA-N 316.445 2.260 10 10 DECE CN(C)c1ccc(/C=C\CN2CCN([C@@H]3CCOC3)CC2)cc1 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305.422 2.406 10 10 DECE C[C@@H](Cc1ccco1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 852791768 MAYZGXQGUYPDBF-GUYCJALGSA-N 315.417 2.340 10 10 DECE C[C@H](NC(=O)N[C@@H](CO)C1CCC1)c1ccc(N(C)C)cc1 852261239 OBIGZLMJTOKRAK-LRDDRELGSA-N 305.422 2.274 10 10 DECE COc1cc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC 866216655 AETLRFSCUSFICM-CQSZACIVSA-N 323.393 2.388 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCOC[C@H]1C 763619932 PYOJRRJAPDXDLN-CJNGLKHVSA-N 305.422 2.285 10 10 DECE C[C@H]1OCC[C@@H]1N(CCO)Cc1cc(F)c(N(C)C)cc1F 862387639 PFIPGGJYAZDYCX-ABAIWWIYSA-N 314.376 2.003 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 865335396 HTCFZOFPAVTOTI-NIFZNCRKSA-N 312.369 2.201 10 10 DECE NC(=O)CC1(NCc2c(O)cccc2Br)CCC1 862328992 URUIQCYLIJCLSZ-UHFFFAOYSA-N 313.195 2.042 10 10 DECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C12CC(C1)C2 860606314 VERYXNKXKLNZEH-UHFFFAOYSA-N 323.776 2.347 10 10 DECE COc1ncc(/C=C\C(=O)N2CCCCc3cccnc32)cn1 872292256 QGYYBFKXDFKSBJ-FPLPWBNLSA-N 310.357 2.263 10 10 DECE CC(=O)N1c2ccccc2C[C@H]1C(=O)N1Cc2cccc(O)c2C1 871201272 SKNGXPAUVNVVEZ-KRWDZBQOSA-N 322.364 2.212 10 10 DECE CC(C)OCCONC(=O)c1cc2cc(O)c(O)cc2s1 897817939 ZVMSUDHRCDYVCH-UHFFFAOYSA-N 311.359 2.399 10 10 DECE Cc1cc(C[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1137540092 ABIUBGZHHICPHH-SECBINFHSA-N 314.349 2.242 10 10 DECE Nc1nn(CCSc2nccs2)cc1Br 706616934 DADJRRRARUSAFE-UHFFFAOYSA-N 305.226 2.477 10 10 DECE CC(C)(C)[C@H](O)C[C@H](CO)NCc1cc(Cl)ccc1O 790618513 ILZRHRLCMIFOEJ-TZMCWYRMSA-N 301.814 2.293 10 10 DECE CC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)c(F)c1 1176564661 CRRNRHLBYGSTEL-UHFFFAOYSA-N 303.289 2.370 10 10 DECE Cn1c(Br)nnc1CN[C@H]1CCc2cccc(O)c21 2121514360 OTIGDFSVNVANNQ-VIFPVBQESA-N 323.194 2.060 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 1330536828 PDWULMHNNKLJPL-MOPGFXCFSA-N 315.461 2.192 10 10 DECE C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(O)c2O)C1(C)C 1347233325 ILZKYYFOLVPHOG-JQWIXIFHSA-N 305.374 2.355 10 10 DECE O=C(O)C=Cc1ccc(N2CCC[S@@](=O)CC2)c(Cl)c1 1911991585 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314.389 2.004 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1 1975305831 DYTQKOVTALEKLZ-NEPJUHHUSA-N 308.378 2.101 10 10 DECE CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985094379 NXOLWFWICJGEAS-LLVKDONJSA-N 323.397 2.402 10 10 DECE CC(=O)C(=O)[C@@](C)(O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1987518406 YTUBVWAGBIOGCH-KRWDZBQOSA-N 321.373 2.077 10 10 DECE Nc1ccc(CCC(=O)NCC2CCC3(CC2)OCCO3)cc1 2146903595 NKEYQLHAIRQTFS-UHFFFAOYSA-N 318.417 2.251 10 10 DECE CN(C)[C@@]1(C)CCN(c2ccc(CN)cc2Br)C1 2032599478 QQBHLXKFRSGFJC-AWEZNQCLSA-N 312.255 2.438 10 10 DECE CCNCc1cnc(Sc2nnc(N(C)C)s2)s1 2037781724 VKILLUWDKOVVBN-UHFFFAOYSA-N 301.466 2.321 10 10 DECE CCn1nnc(Br)c1CNCc1ccccc1O 2038851006 PDFCPFMPSBGOLI-UHFFFAOYSA-N 311.183 2.056 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CO[C@H]2COC[C@H]12 2158002000 LRTATDSORMSUKF-XWIASGKRSA-N 318.200 2.450 10 10 DECE NCc1cc(F)c(N2CC[C@@](O)(C(F)(F)F)C2)cc1Cl 2177379018 WMQLQXZFXQFNRH-NSHDSACASA-N 312.694 2.441 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@H]2CNC[C@@H]2C1 706871509 BPEUNFRXRBKCHV-GHMZBOCLSA-N 311.223 2.196 10 10 DECE COC(=O)c1cnn(Cc2cc(C(F)(F)F)ccc2O)c1O 2070454850 HVWPADGTOKZJSA-UHFFFAOYSA-N 316.235 2.148 10 10 DECE CNCc1ccc(N(C)CCS(=O)(=O)C(C)C)c(Cl)c1 2170443174 JTKRWSDOWFSVLY-UHFFFAOYSA-N 318.870 2.319 10 10 DECE CNCc1ccc(N(C)Cc2ncon2)cc1Br 2042315093 CMPASOCLIVPSGN-UHFFFAOYSA-N 311.183 2.188 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H]2C(F)(F)F)cc1 2232610893 OSVWZIITNBCMHE-WDEREUQCSA-N 308.325 2.029 10 10 DECE CN(C(=O)c1nccnc1Br)c1ccc(N)cc1 2256056142 AAVZKYVKRXFRRG-UHFFFAOYSA-N 307.151 2.098 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC[C@](F)(CN)CC2)s1 2284681789 GHYDGYHHDORJBK-SWZMTVOYSA-N 317.455 2.338 10 10 DECE O=C(O)[C@@H]1CCOCCN1Cc1cc(Cl)cc(Cl)c1O 2285376262 OVRHHXKWRDWMKW-NSHDSACASA-N 320.172 2.375 10 10 DECE CC(=O)Oc1ccc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1 2297347455 RPAQGILLLRCTRZ-UHFFFAOYSA-N 311.297 2.062 10 10 DECE C[C@@H](CN(C)C)N(C)c1ccc(CN)c(Br)c1 2306886389 KKTAZRVKIFFQAX-JTQLQIEISA-N 300.244 2.294 10 10 DECE Cc1ccc(CNCCn2cccn2)c(O)c1Br 2327620752 GNDLUBDIPBCXPY-UHFFFAOYSA-N 310.195 2.449 10 10 DECE C[C@H](N)CNCc1ccc(N2CCN(c3ccccc3)CC2)cc1 107797741 BJLGBPFTNSUQSW-KRWDZBQOSA-N 324.472 2.450 10 10 DECE Oc1cccc(Br)c1CNCc1nn[nH]c1C1CC1 2336998882 VUSYYSDYRPKWLF-UHFFFAOYSA-N 323.194 2.440 10 10 DECE CCC(C)(C)NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 7354827 AMFLHWVLXWKKBB-UHFFFAOYSA-N 319.449 2.122 10 10 DECE CC(C)CN/C=C1/C(=O)N=C(S)N(C2CCCCC2)C1=O 103125219 JZCLMPFXNMRBKA-XFXZXTDPSA-N 309.435 2.103 10 10 DECE COCCNCc1cc(F)c(N(C)[C@@H](C)COC)c(F)c1 62737327 UJUFLYQFVZOPCT-NSHDSACASA-N 302.365 2.172 10 10 DECE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)[C@H]1CO 310631019 JOMLYWFHVGTXKA-OQPBUACISA-N 317.202 2.254 10 10 DECE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C\NCc1ccccc1 111142849 QMWJYIGRKXBBPN-WJDWOHSUSA-N 321.384 2.490 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CCNC1 1951698493 BSISAKNHKQULOM-CHWSQXEVSA-N 322.405 2.143 10 10 DECE CCCN[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1266445081 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Cc1cc(O)c(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c(Cl)c1 827131972 HOJQZVUJZNLUKE-SMDDNHRTSA-N 308.809 2.455 10 10 DECE COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 588499114 XIIAVCYTTHJIJN-WOLRVDTOSA-N 320.345 2.396 10 10 DECE Cc1cc(C(=O)N2CCC3(CCN3)CC2)c(C)n1-c1ccccn1 842512676 VMQGQHTUAPTSLR-UHFFFAOYSA-N 324.428 2.457 10 10 DECE Cc1cc(Cl)cc(CN2CCNC[C@@H]2c2nccn2C)c1O 843122719 TWDHTZGGYHGVRG-CQSZACIVSA-N 320.824 2.234 10 10 DECE COc1cccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)c1O 753001330 KPHMFLXKKUWDJO-UHFFFAOYSA-N 319.365 2.069 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cncc(O)c1 927802887 KZSBDTSDTNAJSB-UHFFFAOYSA-N 314.389 2.195 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NCc3ccoc3)C2)cc1 852009801 STASVFSXPVIBPU-AWEZNQCLSA-N 315.373 2.366 10 10 DECE COc1ccc(N2CC[C@H](NCc3ccc(CO)o3)C2)cc1 850346249 DDEUWFNLQNJWMZ-ZDUSSCGKSA-N 302.374 2.149 10 10 DECE Cc1cc(Br)cc([C@@H](C)N[C@H]2CNOC2)c1O 925870540 XNVSVJPGDLZGEW-SCZZXKLOSA-N 301.184 2.017 10 10 DECE N[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 1118286492 GCJSXPRSKHNUKM-IRXDYDNUSA-N 301.434 2.421 10 10 DECE Nc1ccc(CS(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 707359436 QPEWKWROACZDML-KGLIPLIRSA-N 312.460 2.069 10 10 DECE NCc1ccc(N2C[C@@H]3COC[C@H]3C2)c(F)c1Br 718241280 FIKYWAHUTRTTLD-NXEZZACHSA-N 315.186 2.130 10 10 DECE CC1(C)OC[C@@H]2C[C@]21NC(=O)c1ccc(N=NC(N)=O)cc1 1147384585 JSYSNENDGNTYCO-BONVTDFDSA-N 302.334 2.146 10 10 DECE C[C@@H](O)c1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Cl 694171835 GSHLKSPXFMUFIX-SNVBAGLBSA-N 317.838 2.407 10 10 DECE Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c(O)cccc1O 1178911290 LITSZMNIDPFVNF-UHFFFAOYSA-N 302.286 2.244 10 10 DECE CC1(C)OC[C@@H](NCc2cc(Cl)cc(Cl)c2O)[C@H]1O 1911026739 OXUOBQNVTGJGHP-ZYHUDNBSSA-N 306.189 2.327 10 10 DECE CON1CCN(c2ccc([C@H](C)N)c(Br)c2)CC1 1915796198 BMDZHTPKQCEFHP-JTQLQIEISA-N 314.227 2.152 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H]1Cc2cc(Cl)ccc2O1 1471644811 ZJNKMNKZDQNDMM-AWEZNQCLSA-N 319.744 2.371 10 10 DECE O=C(NCc1cccnn1)c1cc2cc(O)c(O)cc2s1 1634110183 ZJCUVCDAHNOTKB-UHFFFAOYSA-N 301.327 2.033 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cccc(Cn2ccnn2)c1 1588156332 VHICHZSNZOLCFB-UHFFFAOYSA-N 322.368 2.304 10 10 DECE CCCNC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1699601302 CWRGGCMGTWEETH-CQSZACIVSA-N 317.393 2.357 10 10 DECE Nc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 1865956667 DIJUAPLOXSGIPO-UHFFFAOYSA-N 315.285 2.056 10 10 DECE C[C@H](O)c1ccc(N2CC[C@]2(C)CO)c(Br)c1 1947986080 PPVVREQSWSSNKK-TVQRCGJNSA-N 300.196 2.464 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)NCCCN=[N+]=[N-] 1885563488 VIPPFSFUECPIPV-VIFPVBQESA-N 303.338 2.056 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(N)cc2)[C@@H]2COC[C@H]21 1992466086 XTVZRKLLAXNFGX-KFWWJZLASA-N 320.389 2.282 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](C)O)c(Br)c1 2011150134 XNXJNFDTKQFAFN-HOTUBEGUSA-N 300.196 2.462 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](F)C2)c(Br)c1 2027971630 HDBFDECWBQFWGB-RLCGTCKNSA-N 317.202 2.378 10 10 DECE OC[C@H]1CCN1c1ccc(CNC2CC2)c(Br)c1 2031689410 RLOLFBLKPFRHOU-CYBMUJFWSA-N 311.223 2.272 10 10 DECE N[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1C(F)F 2040873162 AGTCELTYSQRHMW-SCZZXKLOSA-N 321.165 2.179 10 10 DECE CNCc1ccc(N2C[C@@H](CO)[C@@H](C)C2)c(Br)c1 708160114 BYHOURPETHHINA-JQWIXIFHSA-N 313.239 2.233 10 10 DECE C[C@@H]1[C@@H](O)CCCN1c1ccc(CN)c(Br)c1F 384712271 DTKCDGZJNNPZHW-KCJUWKMLSA-N 317.202 2.397 10 10 DECE Cc1ccc(O)c([C@H](C)n2ncc(C(=O)NC3CC3)c2O)c1 2070494397 KLUAFTBGIXXUJQ-JTQLQIEISA-N 301.346 2.104 10 10 DECE COc1cc(Cl)cc(CNCC2(F)CC(CO)C2)c1O 2168696830 DOTCTEXMVMIEDE-UHFFFAOYSA-N 303.761 2.254 10 10 DECE CCn1cc(Br)c(C(=O)Nc2ccc(N)cc2)n1 2060852220 WCJNSQQNOSBAPZ-UHFFFAOYSA-N 309.167 2.500 10 10 DECE COCC(COC)CN(C)c1cc(Cl)c(CN)cc1F 2199382122 RRHIVQRLAGQVBT-UHFFFAOYSA-N 304.793 2.283 10 10 DECE NCCc1n[nH]cc1CN1CCc2cc(Br)ccc21 2227040247 DISWZXOULJWEBC-UHFFFAOYSA-N 321.222 2.236 10 10 DECE CO[C@@H](C)c1nc(=NCc2cnc(SC)s2)s[nH]1 2256942542 LORFMLDPLJSHKE-LURJTMIESA-N 302.450 2.458 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)c(Br)c1 2258334910 WAMPGUXUBXKWGP-GCDPNZCJSA-N 312.207 2.319 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC2(CNC2)O1 2288476990 HQIMGDXTTXPWRH-VIFPVBQESA-N 317.216 2.262 10 10 DECE CCCn1nc(Br)nc1[C@H](N)c1ccccc1O 2328421197 YBEPSPPYRSNYAO-SNVBAGLBSA-N 311.183 2.204 10 10 DECE CN(CC[S@@](C)=O)Cc1cc(OC(F)(F)F)ccc1O 2361157118 SDBJQXNVQHILIJ-HXUWFJFHSA-N 311.325 2.101 10 10 DECE C[C@@H](NC[C@@H]1CN(C)CCO1)c1cc2c(cc1O)CCCC2 185974086 DASHRNVXVXUQSK-CZUORRHYSA-N 304.434 2.252 10 10 DECE Cc1cc(O)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1C 126346747 CSEQUKKQHCGTCP-QGZVFWFLSA-N 310.397 2.421 10 10 DECE C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 132741859 UEZKCYADCYQLPE-XJKSGUPXSA-N 320.458 2.424 10 10 DECE C[C@@H]1COCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 191753562 OCUNSTAMUDOFPU-CZUORRHYSA-N 308.397 2.177 10 10 DECE COc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 92704380 PWEDNTIQMVSJRM-CYBMUJFWSA-N 322.405 2.500 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC([C@H]3CCOC3)C2)cc1F 373835299 GHGDUTYGUUWNBR-ZDUSSCGKSA-N 321.396 2.070 10 10 DECE CCN1CC[C@H]2OCCN(Cc3ccc(N(C)C)cc3)[C@H]2C1 292739150 AGXFPHBJQJQTMN-ZWKOTPCHSA-N 303.450 2.048 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373199 SCIFJXVXVMPEHJ-UHFFFAOYSA-N 320.084 2.217 10 10 DECE Cc1ccc(F)c(O)c1[C@H](C1CCOCC1)N1CCNCC1 575274429 KPIIBACWNPKZOH-INIZCTEOSA-N 308.397 2.213 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1CO[C@@H](C2CC2)C1 825130842 GUMLKDXCIJSXBW-FUHWJXTLSA-N 302.418 2.180 10 10 DECE C[C@H](O)C[C@@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 844211297 YHXRXOZBVHGGHW-YQCLLZEUSA-N 320.345 2.432 10 10 DECE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCN 841932160 LETSRUBLIKZBNR-UHFFFAOYSA-N 304.438 2.167 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1895874643 BAKLGZYJPIRQRK-ZMLRMANQSA-N 321.381 2.153 10 10 DECE COC(=O)[C@H](CC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 844009781 SWNHJGIFDAEBOS-VFFGBVLKSA-N 321.373 2.205 10 10 DECE COCc1cc(O)ccc1NS(=O)(=O)c1cnc(C)s1 840914606 DDRCYULRLXKHFB-UHFFFAOYSA-N 314.388 2.104 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H]3C)C2)cc1 852330059 AYAUBWGRJAYHDX-XEZPLFJOSA-N 303.406 2.372 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)on3)C2)cc1 855229477 NWXYHIBESCSALN-GFCCVEGCSA-N 301.346 2.000 10 10 DECE CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 856212955 YEIFJAMSOCROAK-INIZCTEOSA-N 302.418 2.310 10 10 DECE COC(=O)c1cc(OC[C@@H]2CC3(CC3)C(=O)O2)ccc1N(C)C 865395070 HWXXPTRYAZCBJI-LBPRGKRZSA-N 319.357 2.014 10 10 DECE CCOC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1957877991 ZSEJSOSRALGQOD-OCCSQVGLSA-N 310.394 2.322 10 10 DECE C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C 791215097 OKAXMCULPGBURK-YOEHRIQHSA-N 315.461 2.416 10 10 DECE COc1ccc(CNC(=O)Nc2ccc3nccn3c2)c(O)c1 797628704 SQHZRIRLVUFFPI-UHFFFAOYSA-N 312.329 2.370 10 10 DECE COC(=O)[C@H](NCc1cccc(C)c1O)c1cccc(O)c1 792178851 DMWAJVYVZFEDMT-OAHLLOKOSA-N 301.342 2.410 10 10 DECE C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CCO 1146447580 ZFYLUCWXXILWCQ-FZMZJTMJSA-N 318.377 2.472 10 10 DECE C[C@@H](O)c1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694160233 NAGKDVMPLUZKAP-SNVBAGLBSA-N 305.827 2.264 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@H](O)C1CCCCCCC1 1176755155 NBVVTMFCGWFRKM-MRXNPFEDSA-N 307.390 2.435 10 10 DECE CC1(C)OC[C@@H](NCc2cc(Cl)cc(Cl)c2O)[C@@H]1O 1911026738 OXUOBQNVTGJGHP-PWSUYJOCSA-N 306.189 2.327 10 10 DECE CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1295173485 DUXYFSQDMFIQBO-SNVBAGLBSA-N 320.349 2.311 10 10 DECE Cc1cc(C)n2ccc(C(=O)NCc3ccc(O)c(O)c3)c2n1 1465953644 HVXXOSHUCXBRKD-UHFFFAOYSA-N 311.341 2.292 10 10 DECE CCNCc1ccc(N2CCC[C@@H](C(=O)O)C2)c(OCC)c1 212706314 CBQSKNCRZTYTBW-CQSZACIVSA-N 306.406 2.496 10 10 DECE O=C(NCCc1c(F)cc(O)cc1F)NCc1ccccc1O 1471433444 KYFLITNNIROCHW-UHFFFAOYSA-N 322.311 2.418 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCCCO 1628858025 XBKOFTZYCNSCMD-UHFFFAOYSA-N 320.433 2.034 10 10 DECE CO[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1557051848 WIJUMOLOIZHJBQ-KDOFPFPSSA-N 313.353 2.069 10 10 DECE COc1ccc(OC)c(C(=O)NCc2ccc(O)cc2O)c1 1557084559 FHJXBPXEHAEZJZ-UHFFFAOYSA-N 303.314 2.045 10 10 DECE O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1c(O)cccc1O 1635847213 KIVPLUHEJWTYRM-HNNXBMFYSA-N 321.760 2.491 10 10 DECE CC[C@H](CO)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1858590332 KFBJSEYVUUOVBC-CEXMDJMXSA-N 309.412 2.364 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1 1985094009 INVOJCDPMCTLKH-XYPYZODXSA-N 323.397 2.496 10 10 DECE CN(Cc1ccc(Br)cc1O)[C@H]1CN2CC[C@H]1C2 2040873342 BTNHSLGKCYEKJE-GWCFXTLKSA-N 311.223 2.291 10 10 DECE N[C@H]1CC=C(C(=O)N2CCc3cc(Br)ccc32)C1 637907008 FNOYOSRPSLWDEJ-LBPRGKRZSA-N 307.191 2.386 10 10 DECE CCN([C@@H](C)c1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 387312782 BCJCKAVKSGQMNQ-CMPLNLGQSA-N 301.383 2.101 10 10 DECE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCc4ccccc43)c2n1 2064422399 GCLPDEXREHWJGH-ZDUSSCGKSA-N 322.368 2.203 10 10 DECE Cc1cc(O)n2ncc(C(=O)NCCC3=CCCCC3)c2n1 2064988503 YCTLXYHLYUMDAS-UHFFFAOYSA-N 300.362 2.364 10 10 DECE CCOC(=O)c1cnn([C@@H](C)c2c(O)cccc2OC)c1O 2070467323 WMCCOVZJHIZPTF-VIFPVBQESA-N 306.318 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O=C(NCc1c(O)cccc1O)c1ccc2oc(S)nc2c1 1156885477 GKTSJSUGGHVRSQ-UHFFFAOYSA-N 316.338 2.458 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 2123312872 XEQAQHUZEQRJSX-LLVKDONJSA-N 303.811 2.055 10 10 DECE C[C@H]1COCC[C@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 1326375212 GJQXFHUEKNTWBG-WMLDXEAASA-N 321.440 2.092 10 10 DECE CN(C)C(=O)CCCC(=O)NCc1c(O)ccc2ccccc12 1179033606 ZZGVSBVVALSIIL-UHFFFAOYSA-N 314.385 2.420 10 10 DECE CN1C[C@@H](N(C)Cc2cc(Cl)cc(Cl)c2O)CC1=O 2131934863 KTPDTWKJSVQLSS-JTQLQIEISA-N 303.189 2.362 10 10 DECE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C(F)F)cc1C 1282085993 YEJGSDURSNTECB-MNOVXSKESA-N 300.349 2.252 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1626160611 NXKODNCUSXZROO-KGLIPLIRSA-N 318.417 2.423 10 10 DECE Cc1cc(C)n([C@@H](C)CC(=O)NCc2cc(O)ccc2O)n1 1637123107 WEOHBKMYUZSBAD-LBPRGKRZSA-N 303.362 2.179 10 10 DECE CCCN(CCC)C(=O)CCC(=O)NCc1cc(O)ccc1O 1633594922 BNISGPLCSFCGFL-UHFFFAOYSA-N 322.405 2.143 10 10 DECE C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1566669640 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2.366 10 10 DECE OCCN1CCCC[C@H]1CNCc1cc(Cl)c(F)cc1O 824583496 NJAODZAGHYHSPI-LBPRGKRZSA-N 316.804 2.121 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)CC2CCN(OC)CC2)c1 830541432 XXDIQALTXRIIOP-GFCCVEGCSA-N 322.405 2.242 10 10 DECE CC(C)CCn1cc(C(=O)NCc2c(O)cccc2F)nn1 928704538 BCZZGYUJGFMFNA-UHFFFAOYSA-N 306.341 2.099 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C=CCC3)C2)cc1 852450612 QEHLOIZPTFPEPL-UONOGXRCSA-N 301.390 2.292 10 10 DECE Cc1cccc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1O 857059072 ZNMVUPFUVPNXAK-INIZCTEOSA-N 317.410 2.460 10 10 DECE Nc1ccnc2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2 931516030 GNJXDAGENQIBFF-UHFFFAOYSA-N 324.428 2.059 10 10 DECE C[C@H]1[C@H](N(C)C)CCN1Cc1ccc(N2CCOCC2)cc1 931039305 QGUZHUYTFBVRCJ-MAUKXSAKSA-N 303.450 2.048 10 10 DECE C[C@H](NC(=O)N[C@@H]1CCc2c[nH]nc2C1)c1ccccc1O 868399091 CSBFMVQYEXOHCA-CMPLNLGQSA-N 300.362 2.033 10 10 DECE CC(=O)N1C[C@H]2[C@@H](NCc3ccc(F)c(F)c3O)CCC[C@H]2C1 877535663 CXMMIHQHQZCAOX-GUTXKFCHSA-N 324.371 2.407 10 10 DECE 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2.208 10 10 DECE Cc1cc2c(cc1C)O[C@H](C(=O)NCc1c(O)cccc1O)C2 1558534125 NUAOMPNLKZUTQP-KRWDZBQOSA-N 313.353 2.335 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc2ccccc2c(=O)o1 1558175599 XEHZQBCIAWKNGX-UHFFFAOYSA-N 311.293 2.134 10 10 DECE O=C(NCc1c(O)cccc1F)c1cccc2nc(O)oc12 1558454238 CDLICZXLORLEOQ-UHFFFAOYSA-N 302.261 2.308 10 10 DECE Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(O)c1O 1558676694 MFFCHSJWNWMNDH-UHFFFAOYSA-N 317.301 2.457 10 10 DECE Cc1noc([C@@H](NC(=O)NCc2c(O)cccc2F)C(C)C)n1 1565494719 QZUDGXUMHFAMKK-ZDUSSCGKSA-N 322.340 2.419 10 10 DECE O=C(CCCCCO)N(Cc1ccccc1O)C[C@@H]1CCCO1 1632399352 RFVGWMLDXPDEFG-INIZCTEOSA-N 321.417 2.453 10 10 DECE Cc1cnn([C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)c1 152943170 WXGRTLWAALFNCB-AWEZNQCLSA-N 315.373 2.463 10 10 DECE Cc1cnc(NC(=O)CNCc2ccc(N(C)C)cc2)s1 1857852218 MRVUSVKSEZCJHO-UHFFFAOYSA-N 304.419 2.246 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2C(=O)NCCCN=[N+]=[N-] 1964879296 CROZHWZSKJJNDO-UTUOFQBUSA-N 323.397 2.449 10 10 DECE Oc1cc(Br)ccc1CNC1CN(CC(F)F)C1 1970963871 HKMVLOGIKLVBMB-UHFFFAOYSA-N 321.165 2.194 10 10 DECE CCOc1ccc(N(Cc2ccccc2)CC2(O)CNC2)cc1 1977744548 NRXDGYVKXFIFSK-UHFFFAOYSA-N 312.413 2.426 10 10 DECE CON(CC(=O)NCc1cccc(C)c1O)C(=O)OC(C)(C)C 1994450233 RDKAGGGTFNCUQU-UHFFFAOYSA-N 324.377 2.115 10 10 DECE CC[C@H](O)CN(C)c1ccc(CNC)c(Br)c1 1999396976 XZUHMTRWDBZQFB-LBPRGKRZSA-N 301.228 2.376 10 10 DECE CCN[C@@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2152238415 COKHJZNEIHWJSE-JTQLQIEISA-N 316.854 2.244 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](O)C[C@H]3C2)cc1Br 2033981239 DCSXEUHIJSBKBU-DIUUZDHRSA-N 311.223 2.286 10 10 DECE Oc1c(Br)cccc1CNCCc1ccnnc1 2034419474 WHHKHBFWXHIZAR-UHFFFAOYSA-N 308.179 2.277 10 10 DECE C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Cl)c1 2170279410 XOCHGYIWCHOWOA-GMTAPVOTSA-N 316.854 2.372 10 10 DECE CCN([C@@H](C)CS(C)(=O)=O)[C@@H](C)c1cc(F)ccc1O 2170424573 JWMOWRQRWGIXPZ-QWRGUYRKSA-N 303.399 2.347 10 10 DECE Oc1ccc(CN[C@@H]2CS[C@@H](C(F)(F)F)C2)c(O)c1O 2189220318 HBQPZQGWPPTPQL-IONNQARKSA-N 309.309 2.329 10 10 DECE CN(Cc1cncnc1)c1ccc(CN)cc1Br 2058457125 OICRVTSFUVNEAN-UHFFFAOYSA-N 307.195 2.334 10 10 DECE Oc1n[nH]cc1CCNCc1cc(Cl)cc(Cl)c1O 2231839703 RLLPVMITYLUYDV-UHFFFAOYSA-N 302.161 2.460 10 10 DECE CN(Cc1cccc(Br)c1O)c1cccn(C)c1=O 2224991589 XKTODVXSGVQZIJ-UHFFFAOYSA-N 323.190 2.490 10 10 DECE CN1CC2(CCN(c3ccc(CN)c(Br)c3)CC2)C1 2265232106 CDNPJYDGSUHAMS-UHFFFAOYSA-N 324.266 2.440 10 10 DECE Cc1ccc(CN(C)CCC(=O)O)c(O)c1Br 2307480448 UICRPAHNQZFEDZ-UHFFFAOYSA-N 302.168 2.370 10 10 DECE CCN1N=C(C(F)(F)F)C(=Cc2ccc(O)c(O)c2)C1=O 2332094401 BFYZISAKMWYPSG-UHFFFAOYSA-N 300.236 2.262 10 10 DECE CCN1CCC(CCNC(=O)c2ccc(C)c(O)c2O)CC1 179518627 JVXWJYBNPDCVQD-UHFFFAOYSA-N 306.406 2.258 10 10 DECE Cc1noc(C)c1CNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170033921 XKJZKENNAGWXRB-VIFPVBQESA-N 304.346 2.198 10 10 DECE CS(=O)(=O)Nc1ccccc1NCc1ccc(O)c(O)c1 37135131 UTJVKCTYLJNLFX-UHFFFAOYSA-N 308.359 2.081 10 10 DECE Cn1nc(C(F)F)c([C@@H](NCCN=[N+]=[N-])C(=O)O)c1Cl 2365331943 NIJAFWXATBODDL-ZCFIWIBFSA-N 308.676 2.037 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)cc1F 127591074 PUPFVTANQUUNQV-QGZVFWFLSA-N 322.380 2.052 10 10 DECE COc1cc(Br)cc(CN(C)[C@@H]2CCOC2)c1O 132039990 NORBAMARSLGUNJ-LLVKDONJSA-N 316.195 2.384 10 10 DECE CCCN[C@H](c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 43301338 DKKOIWOAOXJIBP-GOEBONIOSA-N 310.463 2.228 10 10 DECE CC(=O)C(=O)COC(=O)CCCOc1ccc2c(c1)CCC2 808527741 LMONNKGNCQIBRI-UHFFFAOYSA-N 304.342 2.036 10 10 DECE CC(C)[C@@](C)(CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 812018795 XFBPEZJDXJVGTF-MRXNPFEDSA-N 311.401 2.098 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCC(N2CC[C@H](O)C2)CC1 827700834 XWLSVLDAXJQSQI-IBGZPJMESA-N 317.477 2.092 10 10 DECE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 839607353 LMVACQUJJCPEHE-QWHCGFSZSA-N 322.380 2.097 10 10 DECE COC(=O)c1cc(OC[C@H]2C[C@]23CCOC3)ccc1N(C)C 902616855 IJHBMAJVICTMRN-PXAZEXFGSA-N 305.374 2.345 10 10 DECE C[C@@H](N)[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O 842008962 YJWCQCIHQLBASU-CHWSQXEVSA-N 317.389 2.433 10 10 DECE COc1cccc(CNC[C@@]2(CO)CCc3ccccc32)c1O 846010440 HGQKHOCXEKOQPK-LJQANCHMSA-N 313.397 2.367 10 10 DECE CC(C)(CNCc1ccc2c(c1)CCCO2)[C@@]1(O)CCOC1 922212910 VOUKAMDHMYEPDA-GOSISDBHSA-N 305.418 2.279 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cc(F)c[nH]3)C2)cc1 855226246 OORDDOTWZXUGSF-LBPRGKRZSA-N 303.337 2.171 10 10 DECE C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)c2ncnn21 852472465 DFYLVANZPDOJOQ-LDYMZIIASA-N 321.768 2.142 10 10 DECE Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)c(F)c2)n1 858327328 OTFJEMQSWQDYEY-HIFRSBDPSA-N 320.368 2.203 10 10 DECE COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1 850494659 VLHKNMYJLFDGCS-NHYWBVRUSA-N 324.377 2.393 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCOC2)c1 784542762 UZOGSJOKLJIFCA-NEPJUHHUSA-N 308.378 2.188 10 10 DECE COc1ccc2c(c1)CCCN2C[C@H](O)COC[C@H]1CCCO1 797723295 ZFNIBOZKCFKVEU-DOTOQJQBSA-N 321.417 2.004 10 10 DECE CN(c1ccc(CO)cc1Br)[C@@H]1CCC[C@@H]1O 708581641 XWZXVSRQGOTQTH-OLZOCXBDSA-N 300.196 2.291 10 10 DECE CCN(C[C@@H](C)O)c1ccc(CN)c(Br)c1F 691437473 YHZJGAAVCDCXBR-MRVPVSSYSA-N 305.191 2.254 10 10 DECE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N1CCCCC1 1306422772 QMTNWQNQVZJDIA-GFCCVEGCSA-N 317.393 2.453 10 10 DECE COCCC(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1 1324103148 OKFHKWUYGFSERJ-MRXNPFEDSA-N 320.433 2.121 10 10 DECE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC1CC1 1267831757 TXIFYJOAKJUHLK-CYBMUJFWSA-N 317.393 2.357 10 10 DECE Cn1nc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c(Cl)c1Cl 1912197870 ZUFUCJAGMQBDEA-LURJTMIESA-N 303.153 2.499 10 10 DECE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2nonc2c1 1441945550 LKFDYCJFBIXBBA-UHFFFAOYSA-N 324.340 2.312 10 10 DECE Cc1nn(C(C)C)c(C)c1CC(=O)NCc1c(O)cccc1O 1456315148 IQRYLQJDPYFWJX-UHFFFAOYSA-N 317.389 2.351 10 10 DECE CNc1c(C(=O)NCc2c(O)cccc2F)cccc1[N+](=O)[O-] 1471976200 STEIOJMZUKODIU-UHFFFAOYSA-N 319.292 2.411 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](OC)C2CC2)cc1C 1716394494 XMURCRFYADUILN-DYVFJYSZSA-N 320.433 2.023 10 10 DECE CN(CCNC/C=C/Cl)C(=O)c1ccc(N=NC(N)=O)cc1 1493810127 NRILSRUWWICUJH-BVHCNOTJSA-N 323.784 2.263 10 10 DECE CC(C)c1ncc(CNC(=O)/C=C/c2ccc(O)c(O)c2)[nH]1 1639428230 YINZWVUKDHMJII-GQCTYLIASA-N 301.346 2.274 10 10 DECE COc1cccc(CNC(=O)c2cc(F)c(F)cc2N)c1O 1630366622 SFNNVOGKRPRRRJ-UHFFFAOYSA-N 308.284 2.191 10 10 DECE C=CC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1643108218 WESLDBZDCMMATF-UHFFFAOYSA-N 312.325 2.152 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(O)ncn1 1587552359 QDNSMUXBIJPJFZ-UHFFFAOYSA-N 312.373 2.055 10 10 DECE CC[C@H]1C(=O)NCCN1c1ccc(/C=C/C(=O)O)cc1Cl 164384644 KJZUYEMEDGKJGI-FUEXJSSKSA-N 308.765 2.153 10 10 DECE CNS(=O)(=O)c1cccc(NCc2cccc(C)c2O)c1 164964245 BHZIYCJCUAJLQO-UHFFFAOYSA-N 306.387 2.221 10 10 DECE CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1cnn(C)c1 154114844 SKUSAMRAXJNGJZ-CMDGGOBGSA-N 307.357 2.282 10 10 DECE CCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1858615461 YPTHSJHSKDAPPP-UHFFFAOYSA-N 320.370 2.309 10 10 DECE NCCO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 1972827229 PZQLASSGQJJPOH-LLVKDONJSA-N 305.205 2.249 10 10 DECE COc1cc(N)c(N2CCC[C@@H](C3(C)OCCO3)C2)cc1OC 2145835242 KGZJHCATJKLSTG-GFCCVEGCSA-N 322.405 2.265 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1Br 2027974134 VVUAKEUMKNARHP-JCOFBHIZSA-N 317.202 2.378 10 10 DECE OCc1ccc(N2C[C@H]3C[C@H]2CC[C@H]3O)c(Br)c1 2028281086 TYZFCMACYLGRGN-JTNHKYCSSA-N 312.207 2.291 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C[C@]3(CO)C2)c(Br)c1 2029644783 KPDLNXIFOXSCCU-DRCTWCGVSA-N 311.223 2.287 10 10 DECE NCc1ccc(N2C[C@H](C3CC3)[C@@H](O)C2)cc1Br 2030228450 YAAYMGIRCIOSJC-OCCSQVGLSA-N 311.223 2.115 10 10 DECE C[C@@H]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CS1 709733126 ONKTWGYXYJJYQK-RISCZKNCSA-N 314.476 2.315 10 10 DECE C[C@H]1C[C@H](CO)CN(c2ccc(CN)c(Br)c2)C1 399090342 RDRGZEJVKFTNIB-QWRGUYRKSA-N 313.239 2.363 10 10 DECE Cc1cc(O)c([C@@H](C)n2ncc(C(=O)NC3CC3)c2O)cc1C 2070493161 IXJOABDVIXZMPH-LLVKDONJSA-N 315.373 2.413 10 10 DECE COc1ccc(Br)c(CN2CCO[C@@H](C)C2)c1O 1231551340 XWECRJZOERNYFD-VIFPVBQESA-N 316.195 2.384 10 10 DECE COC[C@]12C[C@@H]1CN(c1ccc(CN)cc1Br)C2 2046793736 MSJXYPURGYISOP-BXUZGUMPSA-N 311.223 2.381 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CCN2CC[C@H]1C2 2072653727 WJXJATYKAZTBCL-GWCFXTLKSA-N 311.223 2.339 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)C1CCC(O)CC1 2101550945 XVNYPPRDCCPOTD-UHFFFAOYSA-N 305.783 2.091 10 10 DECE CC(C)S(=O)(=O)C[C@H](C)NCc1cccc(Cl)c1O 2114187455 XUIZMKDHTQSAEC-JTQLQIEISA-N 305.827 2.347 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC(O)CC2)c1 171409098 BBZICLNRBPBATI-VOMCLLRMSA-N 308.378 2.065 10 10 DECE CNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nn1 172711421 UIKGSCXIJWFMOE-UHFFFAOYSA-N 311.389 2.049 10 10 DECE Cc1noc([C@H](C)N2CCN(Cc3cccc(C)c3O)CC2)n1 180100778 PPNQMVXCRDZTMQ-ZDUSSCGKSA-N 316.405 2.271 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(O)c(O)c2)CC1 1952071974 DJVBVXACWBJKKJ-CYBMUJFWSA-N 322.405 2.239 10 10 DECE COC(=O)/C=C/c1ccc(N2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 78331197 JWFWVZDVKQAECY-BAEOLTKYSA-N 320.345 2.395 10 10 DECE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2CN1CCNCC1 75280965 BMXFHWDVUJZPHS-GOSISDBHSA-N 318.465 2.205 10 10 DECE COc1ccc(O)c(CNC(=O)NCCc2ncc(C)s2)c1 74261719 XKEDJAMMHCUSDW-UHFFFAOYSA-N 321.402 2.208 10 10 DECE CN(C(=O)C[S@@](=O)c1ccc(F)cc1)c1ccc(N)cc1 40962298 VDPLQTCZOKLDRG-NRFANRHFSA-N 306.362 2.179 10 10 DECE CCOc1cccc(CN2C[C@H](C)N(CCOC)[C@@H](C)C2)c1O 93478936 ISUOVYRTMFXLSE-GJZGRUSLSA-N 322.449 2.332 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cnn(C)c2C)c1 255122701 QBKRIPILDDDJNI-OFSNVTPPSA-N 315.373 2.333 10 10 DECE COc1cccc(CNS(=O)(=O)/C=C\c2ccccc2)c1O 255375973 VHFFPKBSXSXJTC-KHPPLWFESA-N 319.382 2.491 10 10 DECE CC(=O)C(=O)COC(=O)c1c(Br)sc(C)c1C 808547740 DBBPTBUQPRPQJF-UHFFFAOYSA-N 319.176 2.442 10 10 DECE OCCO[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 295289861 JDVLDEBYPACWMV-LLVKDONJSA-N 303.761 2.158 10 10 DECE Cc1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(O)c1O 813849055 CTWDWIUNOGNLRZ-NHYWBVRUSA-N 301.342 2.258 10 10 DECE O=C(O)[C@H]1CC[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 712803680 CEICDSMXRCUMIY-IONNQARKSA-N 319.766 2.041 10 10 DECE COC(=O)C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835027174 CTZSYCOGTACCGB-BDUNBXCCSA-N 318.417 2.030 10 10 DECE CN(C)c1ccc(/C=C\CNCC(C)(C)S(C)(=O)=O)cc1 835041652 CSGHREADYDANRX-SREVYHEPSA-N 310.463 2.179 10 10 DECE CN1CCC(N(C/C=C\c2ccc(N(C)C)cc2)CCO)CC1 835024447 APJPCMKCUPJOEH-PLNGDYQASA-N 317.477 2.154 10 10 DECE CN(C)c1ccc(/C=C\CNCCCN2CCCC2=O)cc1 835034296 SPNGHOLEALHKRP-UTCJRWHESA-N 301.434 2.368 10 10 DECE CCOc1ccc(N(C)C[C@H](O)COC[C@H]2CCCO2)cc1 740423166 CWABJTHWTPPIQK-DOTOQJQBSA-N 309.406 2.078 10 10 DECE C[C@@]1(c2ccccc2)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 841063117 HGAPMFPRPILBJP-LJQANCHMSA-N 323.396 2.398 10 10 DECE CN(C)c1ccc(CNC(=O)C2(C(=O)OC(C)(C)C)CC2)cc1 845100875 FBANTHYDZIGULD-UHFFFAOYSA-N 318.417 2.491 10 10 DECE O=C(NCc1ccc(O)cc1O)c1c(Cl)n[nH]c1C1CC1 910955985 IOSHNSFMLWIECV-UHFFFAOYSA-N 307.737 2.282 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(F)cc(F)c2O)C1 756760336 NSZSVPYCQOXZGV-GXSJLCMTSA-N 313.348 2.125 10 10 DECE CNCCCC(=O)N1CCC(N[C@@H](C)c2ccccc2O)CC1 854231906 OYWHQJSXMYBFNC-AWEZNQCLSA-N 319.449 2.033 10 10 DECE COc1cccc([C@@H](C)NCC(C)(C)CS(C)(=O)=O)c1O 926955327 LFEORQHICUQXJW-LLVKDONJSA-N 315.435 2.122 10 10 DECE COc1ccc(N2CCN(CCn3cc(C)cn3)CC2)cc1F 753856527 CJFCMLLOEUTVCA-UHFFFAOYSA-N 318.396 2.161 10 10 DECE OC1([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)CC1 930691454 BCJDIZQMOVEDEX-SFHVURJKSA-N 316.445 2.403 10 10 DECE CCOC(=O)c1cc(CN[C@@H]2CCc3cccc(O)c32)on1 866515979 PFYVCXLLTCMCDM-GFCCVEGCSA-N 302.330 2.334 10 10 DECE CN(C)c1cccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 867691056 QHDGXVYXYVLUMH-UHFFFAOYSA-N 318.398 2.163 10 10 DECE CCc1cccc(CNCCN2C[C@@H]3CCCCN3C2=O)c1O 895342400 GKPVFMSTLAJQIZ-INIZCTEOSA-N 317.433 2.334 10 10 DECE CN(C)c1ccc(CNCc2cn(C)nn2)c(C(F)(F)F)c1 793069382 ZNAJMXCQQCXIDP-UHFFFAOYSA-N 313.327 2.190 10 10 DECE C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2 795698207 XKJCBOLNMJLGGK-AMIZOPFISA-N 319.279 2.273 10 10 DECE C[C@H](O)c1ccc(N2CC3CC2(CO)C3)c(Br)c1 694503648 MBAODSNGXAMWPJ-IPWFMCSPSA-N 312.207 2.464 10 10 DECE O=C1Nc2ccccc2O[C@H]1CC(=O)N1Cc2cccc(O)c2C1 1152564474 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COc1ccc(CNC[C@@H](C)N(C)C(=O)COC(C)C)cc1C 1698814385 IJSCWYDDJQNALZ-OAHLLOKOSA-N 322.449 2.365 10 10 DECE CCOc1ccc(NC(=O)CN2C(=O)[C@@H](C)SC2=S)cc1 11635412 GLKLSCVJDIUPJV-SECBINFHSA-N 324.427 2.273 10 10 DECE CNCc1ccc(N(CC(N)=O)C(C)C)c(C(F)(F)F)c1 163698491 MZQXNJROBXKESD-UHFFFAOYSA-N 303.328 2.125 10 10 DECE COC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)C1CC1 151718158 LKYQVOIHPWEWLJ-CQSZACIVSA-N 313.357 2.405 10 10 DECE CC(C)COC(=O)COC1CCN(c2ccc(N)cc2)CC1 585880657 XPQYCVRYIWEBGJ-UHFFFAOYSA-N 306.406 2.453 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]1CNCCc1ccc(O)c(O)c1 1937964541 YVRJNSXYFMQVJO-ZDUSSCGKSA-N 322.405 2.239 10 10 DECE CN(CCNC(=O)CCc1ccc(N)cc1)C(=O)OC(C)(C)C 1977673143 VVMVXSJQMSVRCI-UHFFFAOYSA-N 321.421 2.185 10 10 DECE CC(C)(C)OC(=O)NCCOCCCNCc1ccc(N)cc1 1980095629 KNEMDIXRXDESJL-UHFFFAOYSA-N 323.437 2.290 10 10 DECE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nnc(Br)s2)C1 2011527262 YMMLVSQWNVPIRB-RXMQYKEDSA-N 317.172 2.073 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@H]2CNC[C@H]21 701071723 ATUNPQSUIMPFRV-GXFFZTMASA-N 311.223 2.339 10 10 DECE NCc1cc(F)c(N2CCC[C@H](O)CC2)cc1Br 378760745 AXUMPCCVZDWJIS-JTQLQIEISA-N 317.202 2.398 10 10 DECE CNC(=O)c1cc(C2CCC2)nn1Cc1cccc(OC)c1O 2070051547 JCKJRSHBJJZVGP-UHFFFAOYSA-N 315.373 2.273 10 10 DECE CCN(c1ccc([C@@H](C)N)cc1F)[C@H](C)CS(C)(=O)=O 2170402245 FNHFGSRWSLALGG-GHMZBOCLSA-N 302.415 2.105 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2cnnn2C)c(Br)c1 2100243165 AAKUWOYPHJCLNM-VIFPVBQESA-N 324.226 2.234 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cnc(C(C)(F)F)s1 2296056009 NIYRUZHUWYLBCV-ZETCQYMHSA-N 305.310 2.369 10 10 DECE CN1CCc2cc([C@H](O)CNC(=O)C=Cc3ccco3)ccc21 2297572276 QIFQMVDONUKJCJ-QGZVFWFLSA-N 312.369 2.135 10 10 DECE COC[C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 103434348 NKJPGMDTGJMRMI-CYBMUJFWSA-N 306.406 2.063 10 10 DECE Cc1nccn1C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1O 178746681 KYPZYTRYMDBZMB-OAHLLOKOSA-N 316.361 2.470 10 10 DECE CCS(=O)(=O)c1ccc(NCc2cc(N)ccc2O)cc1 37671375 IHCUDDUQHNAQCW-UHFFFAOYSA-N 306.387 2.380 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccccc1OC(F)F 90256742 JJJLDEOHIHCHSD-JTQLQIEISA-N 300.265 2.402 10 10 DECE O=c1[nH]c(CNCc2cccc(Br)c2O)cs1 231697920 QKDLHIGLXYUVBI-UHFFFAOYSA-N 315.192 2.194 10 10 DECE CCN(CC)C(=O)[C@H]1CCCN1Cc1cccc(OC)c1O 92510477 OBMHHLXMBVTFLZ-CQSZACIVSA-N 306.406 2.234 10 10 DECE COc1cc(O)c(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1OC 245538876 KNZUNKWGBAPEOM-UKRRQHHQSA-N 320.433 2.326 10 10 DECE Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(O)c1O 248424022 ZPKVOEQXXKDRTE-KCPJHIHWSA-N 303.358 2.094 10 10 DECE COC(=O)/C=C\c1ccc(N2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 255725919 PDDFIEOWQNLTOB-HWPRWLFBSA-N 320.345 2.396 10 10 DECE CCN(CC(C)(C)O)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 255588421 NUKCFGNTKSIYIX-CLFYSBASSA-N 322.361 2.378 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 368334967 XJUHNTRDMQVHMM-NWJSVONSSA-N 304.390 2.061 10 10 DECE O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(O)c1O 382709054 GGRYJLOHQOHQFD-LSDHHAIUSA-N 314.341 2.343 10 10 DECE Cc1cc(C(=O)N2CC[C@H](O)C2(C)C)c(C)n1-c1ccccn1 812700021 QAJWDLMMRXWJLL-HNNXBMFYSA-N 313.401 2.475 10 10 DECE COC(=O)C[C@@]1(NC/C=C\c2ccc(N(C)C)cc2)CCOC1 835046614 LGQBHARIWGGXRZ-XDXAGZTOSA-N 318.417 2.078 10 10 DECE NC[C@H](NCc1cc(Br)ccc1O)C(F)(F)F 848716378 XNRQCPAKJMTFIU-VIFPVBQESA-N 313.117 2.134 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3nncc3C2)cc1 847165750 UMUSYTHEHHXCLI-UHFFFAOYSA-N 321.384 2.342 10 10 DECE COC(=O)[C@H](CC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 844009783 SWNHJGIFDAEBOS-WMADIVHISA-N 321.373 2.205 10 10 DECE COc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)c1O 844910005 FXIVSAOUCPCGAH-ZMSDIMECSA-N 320.433 2.262 10 10 DECE C[C@H](NCCCN1CCOC1=O)c1cc(F)cc(F)c1O 756539970 YNOFEPHXWBGAIT-VIFPVBQESA-N 300.305 2.163 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(F)(F)F)CC1 773742405 VNSHRUAAYRBYCZ-QMMMGPOBSA-N 303.280 2.488 10 10 DECE COC12CCC(C(=O)N[C@@H](C)c3ccccc3O)(CC1)C(=O)C2 1123869084 OOOCHLOJMCPRCY-KAMYHZANSA-N 317.385 2.488 10 10 DECE CC(=O)CCCc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 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C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]([C@@H](N)c2ccccc2O)CO1 1979171680 MNSCCYDRQDTVPJ-WHOFXGATSA-N 322.405 2.416 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)N3CC[C@H](N=[N+]=[N-])C3)[C@@H]2C1 1985093758 FDFIUUNIOOCYHZ-HBNTYKKESA-N 321.381 2.011 10 10 DECE CS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)cn1 164950421 LOPDQXWTTHRKIZ-UHFFFAOYSA-N 312.778 2.456 10 10 DECE CC(C)[C@](C)(NCc1cc(Br)ccc1O)C(N)=O 310843988 KAZQXELOGSBIOK-ZDUSSCGKSA-N 315.211 2.144 10 10 DECE O=C1CCC(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1 708240535 HUHLYNIAGHIYAP-UHFFFAOYSA-N 303.767 2.299 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1cnn(C)c1Br 379155313 HQNLYXCAGQZKQF-UHFFFAOYSA-N 323.194 2.037 10 10 DECE C[C@H](O)CN(c1ccc(CO)cc1Br)C1CC1 691473672 WLVWLLUGGMBJQO-VIFPVBQESA-N 300.196 2.291 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H]1CCCC[C@H]1F 2175564635 BFWQTLRFXZONDD-ZIAGYGMSSA-N 300.399 2.311 10 10 DECE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)[C@@H]1CC1(F)F 2168854057 DIIJQFQOOXRVME-GFCCVEGCSA-N 304.362 2.217 10 10 DECE O=C1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CN1 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CNCc1ccc(N(C)[C@@H]2CCN(C)C2)cc1Br 311121445 ORNXQOXGNQRAPH-CYBMUJFWSA-N 312.255 2.309 10 10 DECE CC(C)CC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 181144179 JFXDLAKLUBTZQM-QQOXCAACSA-N 307.390 2.414 10 10 DECE C[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(F)c(F)c1O 187725521 JYJLWRHBTLUYRW-QMTHXVAHSA-N 324.375 2.357 10 10 DECE Nc1ccc(OC[C@H](O)CN2CCc3sccc3C2)cc1 36669905 FAMMTDHZEDIBKZ-CQSZACIVSA-N 304.415 2.128 10 10 DECE CCN(CC)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 44858045 KGLNUOZJWCCEAP-UHFFFAOYSA-N 319.449 2.076 10 10 DECE NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccncc3)cc2)C1 71817038 MGWSVXDIABYIIU-QGZVFWFLSA-N 324.428 2.073 10 10 DECE CC(C)(C)OC(=O)N[C@H](CNCc1cccc(O)c1O)C1CC1 226763192 BAJBJANLVUKFAY-CYBMUJFWSA-N 322.405 2.491 10 10 DECE C[C@H](Cn1cnnc1)NCc1cc(Cl)cc(Cl)c1O 2130143526 JFPMMTXLRVVXEU-MRVPVSSYSA-N 301.177 2.469 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1ccc([N+](=O)[O-])cc1O 1952305378 XYRXYRRCVCGHOH-WCQYABFASA-N 323.349 2.310 10 10 DECE Nc1cc2c(cc1N(CC(F)(F)F)C1CC1)NC(=O)CO2 42741033 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10 DECE CN(C)c1cc(F)c(CN[C@@H]2CCc3nc[nH]c3C2)cc1F 858165858 PESILCDQRISUQU-LLVKDONJSA-N 306.360 2.401 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(F)n3)C2)cc1 855234429 ZUJXLZZFYZYBRR-GFCCVEGCSA-N 315.348 2.238 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3OC)CC2)cc1 1337103546 HKFYPDAHTXZHEP-IAGOWNOFSA-N 318.417 2.159 10 10 DECE CO[C@H](CC(C)C)CS(=O)(=O)N1Cc2cccc(O)c2C1 867690605 KPKITDNNSHXZPY-CYBMUJFWSA-N 313.419 2.099 10 10 DECE C[C@H](NS(=O)(=O)c1ccccc1N)c1ccc(N(C)C)cc1 773086641 FHJLAQVCFPPGCK-LBPRGKRZSA-N 319.430 2.374 10 10 DECE Oc1ccc(-c2noc(CCNCc3ccccc3)n2)cc1O 692505535 FXMZOQCJBABHKZ-UHFFFAOYSA-N 311.341 2.480 10 10 DECE Cn1cc(Br)c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])n1 692886005 QGBFLVTWKUUGRS-SSDOTTSWSA-N 313.159 2.098 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H](C)n3cccc3)CC2)cc1 1150070584 QZHGDFLUGTVWQV-HNNXBMFYSA-N 313.401 2.407 10 10 DECE CC(=O)c1cc(Cl)cc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1O 1171660321 XOUHSEANRXIDGN-KXUCPTDWSA-N 324.808 2.346 10 10 DECE Cn1ncc(Br)c1CN1CCc2cc(CN)ccc21 2133386504 IXCAEUYGBFBKRA-UHFFFAOYSA-N 321.222 2.204 10 10 DECE Cc1c(C(=O)N[C@@H](C(N)=O)C(C)C)n(C)c2c(C)cccc12 1616065724 AVCRBOPFMZLWSH-CYBMUJFWSA-N 301.390 2.035 10 10 DECE CCC(C)(C)[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C 1625851706 DZLKBTWQOFOWCX-MRXNPFEDSA-N 304.434 2.482 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cncc2nc[nH]c12 1557386941 OJWBMUMBWQENMX-UHFFFAOYSA-N 302.721 2.247 10 10 DECE COc1ccccc1[C@@H](O)C(=O)N[C@@H](C)c1ccccc1O 1643744749 BIUNUPAFKFBPJF-MEDUHNTESA-N 301.342 2.312 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(=O)[nH]ccc2c1 1645134041 XZOMQXIYHKWFNW-UHFFFAOYSA-N 310.309 2.121 10 10 DECE O=C(NCCNCc1ccccc1O)OCc1ccccc1 1929069378 LHRJMWINOQXEQU-UHFFFAOYSA-N 300.358 2.408 10 10 DECE C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C 1587223273 JGVVTRIOOKAMIO-GWCFXTLKSA-N 303.366 2.062 10 10 DECE CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1596006455 GICLQRCLYROXCT-CMPLNLGQSA-N 306.366 2.376 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](CCO)C(C)C 155183875 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DECE COCC(CNCc1cc(Cl)cc(OC)c1O)COC 2199381874 ONHYKCNYTDRXJT-UHFFFAOYSA-N 303.786 2.053 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H](C[C@@H]3O)C2)c(Br)c1 2045146618 JAKYVUCLQZXCQR-SUNKGSAMSA-N 311.223 2.115 10 10 DECE CC1=CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 2077219746 DQDXSVIGNVGTDT-LBPRGKRZSA-N 308.179 2.167 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CCn2nccc2C1 2108913200 AVMXHMDPMPJANT-LLVKDONJSA-N 322.206 2.456 10 10 DECE CN(CCc1ncccn1)c1ccc(CN)cc1Br 2090751553 HCRWQLHZQMGKMA-UHFFFAOYSA-N 321.222 2.377 10 10 DECE CSc1ncc(CNC[C@@H](O)COc2ccccc2)s1 2208457238 OWSMBFKTNBCXMZ-LLVKDONJSA-N 310.444 2.395 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(C(=O)/C(Cl)=C(/Cl)C(=O)O)CC1 2225795861 RDRIVXCDDCKLDE-VALLEEFXSA-N 307.137 2.452 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)s1 2284710467 HQUYBGVLSXXZMU-MRVPVSSYSA-N 308.432 2.009 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)c(Br)c1 2309946623 NJZJVJZKKAQDPN-QYAIJTBZSA-N 312.207 2.462 10 10 DECE Oc1ccc(OC(F)(F)F)cc1CNCc1cnns1 2361027145 HMENSHLIYQQIIR-UHFFFAOYSA-N 305.281 2.432 10 10 DECE Nc1ccc(N2C(=O)[C@@H]3CCC[C@H]3C2=O)cc1Br 128385068 NIZHJDMLXWVBNM-RKDXNWHRSA-N 309.163 2.321 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1c1cc(O)c(O)c(O)c1 1952158163 UBMABIZNGRJAKN-MNOVXSKESA-N 324.377 2.203 10 10 DECE CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 190143166 WZLIOUKTDHQVEZ-UONOGXRCSA-N 303.362 2.354 10 10 DECE CCCN(c1ccc(N)cc1)S(=O)(=O)N1CCC[C@@H](C)C1 220961552 GMNVFJAIICSNMP-CYBMUJFWSA-N 311.451 2.462 10 10 DECE COCc1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 49505289 LXHGPVDQYIMDRD-UHFFFAOYSA-N 306.387 2.357 10 10 DECE Cc1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O 192067472 ZHCVKMDONQWBEE-JTQLQIEISA-N 317.838 2.221 10 10 DECE CC(C)(C)OC(=O)NCCNC(=S)Nc1ccc(N)cc1 243474873 NLEVPEBIWJLONQ-UHFFFAOYSA-N 310.423 2.080 10 10 DECE COc1cccc(CNC(=O)NCCc2cnccc2C)c1O 820905018 ULBSYQIFHQPLFS-UHFFFAOYSA-N 315.373 2.146 10 10 DECE COc1ccc(O)c([C@H](C)NC(=S)NC[C@@H]2CCCO2)c1 728793379 RDWUOIZEXHNSHP-JQWIXIFHSA-N 310.419 2.105 10 10 DECE Cc1nccn1CCCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 588407241 CWKSFOFLGFJDKU-ALCCZGGFSA-N 315.373 2.165 10 10 DECE CNC(=O)[C@@]1(C)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835053135 STEXDGUQPKGGKF-QWNKOJSDSA-N 301.434 2.224 10 10 DECE CN(Cc1cccs1)c1ccc(CNC[C@@](C)(O)CO)cc1 830374603 FQMINMBAJDDBLF-QGZVFWFLSA-N 320.458 2.217 10 10 DECE CCC(C)(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912292037 HHAMHRZBROIQTL-ZDUSSCGKSA-N 318.417 2.395 10 10 DECE CN[C@@H](C)c1ccc(N(C)CC(C)(CO)CO)cc1Cl 689675474 FSPUHFIYUUGZDZ-NSHDSACASA-N 300.830 2.048 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1895876663 XEVFJILYTBIPQM-TUAOUCFPSA-N 323.397 2.449 10 10 DECE O=C(O)C1(CNCc2cccc(Br)c2O)CCC1 854244747 RHRJCAGPROTSHW-UHFFFAOYSA-N 314.179 2.499 10 10 DECE Cc1ccc([C@@H](C)N[C@@H]2CCc3nnn(C)c3C2)c(O)c1C 927143766 HBEWNVUTXBTIJP-CHWSQXEVSA-N 300.406 2.346 10 10 DECE Cc1cc(O)c(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)c1 850369455 KOAWVURQXOYDKW-GHMZBOCLSA-N 317.838 2.409 10 10 DECE 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ISQVNBSXEOMJNK-JEOXALJRSA-N 300.855 2.407 10 10 DECE CN1CCCc2cc(CNC(=O)Cc3ccnc(F)c3)ccc21 1292207353 VHNUULHRWLWCEL-UHFFFAOYSA-N 313.376 2.462 10 10 DECE CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Br)cn1 1527203014 CVGFUNGZMNDDAM-XQRVVYSFSA-N 321.178 2.254 10 10 DECE CC(=O)C(=O)[C@@H](O)c1cccc2c1N(C(=O)OC(C)(C)C)CC2 1919202387 XLFUOCIWFLBVEC-HNNXBMFYSA-N 319.357 2.176 10 10 DECE CNC(=O)c1cccc(N(C)C(=O)/C=C\c2cccnc2C)c1 1538118799 RZNYMCSYAHBMNH-KTKRTIGZSA-N 309.369 2.426 10 10 DECE COc1ccc2c(c1)c1c(n2CC(=O)N2CCOC2)CCCC1 1617577554 MWASXIZZOVYAHG-UHFFFAOYSA-N 314.385 2.345 10 10 DECE Cc1ncc(C(=O)NCc2cccc(Br)c2O)n1C 1623363792 KUOPTNOQQNSUJQ-UHFFFAOYSA-N 324.178 2.127 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(OCC(F)F)n1 1556790264 HAVYVXUIAYSGMR-UHFFFAOYSA-N 324.283 2.318 10 10 DECE O=C(c1cnc(-c2ncccn2)s1)N1Cc2cccc(O)c2C1 1632709024 KJSCNZGSBCCKOB-UHFFFAOYSA-N 324.365 2.462 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)ccnc1F 1633819505 QQJUSWOPWZPKET-MRVPVSSYSA-N 308.284 2.132 10 10 DECE Cc1c(Cl)ccc2c1NC(=O)/C2=C1/SC(=S)NC1=O 12372440 JDKYCBGMRJNHBE-VQHVLOKHSA-N 310.787 2.460 10 10 DECE CCCNC(=O)CN(C)c1ccc(/C=C/C(=O)O)cc1Cl 164360622 RCLJGMRHNMRVLD-FNORWQNLSA-N 310.781 2.400 10 10 DECE COCCN(CCO)c1ccc(CNC(C)C)c(Cl)c1 234619384 GTYOVDGIXYQUJG-UHFFFAOYSA-N 300.830 2.283 10 10 DECE Cn1cc(C2CN(c3ccc(CN)c(Br)c3)C2)cn1 1883012818 RSCOJAUFPJJSDO-UHFFFAOYSA-N 321.222 2.245 10 10 DECE C[C@H](N[C@H](C)[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O 2146117619 KOXIFSSUIHRQAZ-OUAUKWLOSA-N 301.383 2.005 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]21 1985095053 YEXRZSXWUXTENT-BKUVIOGVSA-N 323.397 2.304 10 10 DECE CC(C)(C)OC(=O)NC1CC(C(=O)NCC2(CN=[N+]=[N-])CC2)C1 1985094008 INVOJCDPMCTLKH-UHFFFAOYSA-N 323.397 2.496 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 1992409955 KQAAKPRRYIVVRG-ZETOZRRWSA-N 321.381 2.155 10 10 DECE CC[C@@H]1CCN1c1cc2c(cc1Br)[C@H](N)C(=O)N2 2028299418 XEVKRVGOJAJACR-KRTXAFLBSA-N 310.195 2.390 10 10 DECE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](F)C2)cc1Br 2031927048 DHCZFOULKLPLFA-WQHBLYJGSA-N 317.202 2.249 10 10 DECE CN1CCCN(c2ccc(CN)c(Br)c2)CCC1 2035151740 RZNSLDTZOMGPBH-UHFFFAOYSA-N 312.255 2.440 10 10 DECE CCCNCc1cc(F)c(N2CC([S@](C)=O)C2)c(F)c1 2171952501 XDRNJKVVGASUIO-FQEVSTJZSA-N 302.390 2.032 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CCc2nccn2C1 825197232 HUJVKAAIMIIYBJ-GFCCVEGCSA-N 322.206 2.456 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)c2n1 2063359278 IEOIRGSCBJMZBL-CQSZACIVSA-N 312.373 2.148 10 10 DECE CCNC(=O)c1ccnn1Cc1ccc(Br)cc1O 2069939222 XRVCIPXEKYNASI-UHFFFAOYSA-N 324.178 2.149 10 10 DECE CO[C@]1(CN(C)c2c(F)cc(CO)cc2F)CCSC1 2186187773 ZRMIZNNOZPVIHQ-AWEZNQCLSA-N 303.374 2.415 10 10 DECE NCc1ccc(N2[C@H](CO)[C@H]3CC[C@@H]2C3)cc1Br 2058370562 OJSONMAVIUIXJY-DRCTWCGVSA-N 311.223 2.257 10 10 DECE CN1CCc2cc([C@]3(N)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2110739635 DBUAXURJSMRKRN-ZMSDIMECSA-N 300.402 2.006 10 10 DECE COc1n[nH]cc1CNCc1ccc(Br)cc1O 2256592022 YMRRIERTWGUUIW-UHFFFAOYSA-N 312.167 2.176 10 10 DECE C=CS(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O 2307453203 VGVJZDKUTFAXJK-UHFFFAOYSA-N 320.208 2.368 10 10 DECE Cc1ccc(Cn2cc([C@@H](C)N)nn2)c(O)c1Br 2327537740 WKYBIPPDKPBOIN-MRVPVSSYSA-N 311.183 2.123 10 10 DECE N[C@@H](CC(=O)O)c1cc(Cl)c(F)c(Br)c1O 309383437 ZUMFUQISYXQVFL-YFKPBYRVSA-N 312.522 2.422 10 10 DECE CCNS(=O)(=O)c1ccccc1NCc1ccccc1O 37048787 CHANNXXXNHQLNP-UHFFFAOYSA-N 306.387 2.303 10 10 DECE CC[C@H](N)c1cc(I)cc(OC)c1O 238313097 BQRMGTRENFOCOZ-QMMMGPOBSA-N 307.131 2.415 10 10 DECE CCOc1ccc(O)c(CN(CC)[C@@H](C)CS(C)(=O)=O)c1 93391249 CRSGUJOIUBTAJB-LBPRGKRZSA-N 315.435 2.046 10 10 DECE CC(C)N1C[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@H](C)C1 246526545 UPXWHXPYARSIPL-UKRRQHHQSA-N 305.422 2.262 10 10 DECE N[C@H](CO)c1c(O)cc(C(F)(F)F)cc1Br 258974013 WGIGMEVNWRSEHM-ZCFIWIBFSA-N 300.074 2.166 10 10 DECE CC(C)(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1O 272688048 TWYONUZFENWNPC-CVYKPKQLSA-N 319.401 2.367 10 10 DECE COc1cc(NS(=O)(=O)c2sc(C)nc2C)ccc1O 280611260 QIIPTKOXAZEDAW-UHFFFAOYSA-N 314.388 2.275 10 10 DECE CN(C)c1ccc([C@H](O)c2ccsc2S(C)(=O)=O)cc1 2163079068 MBAMEVMWCBLXFU-ZDUSSCGKSA-N 311.428 2.299 10 10 DECE CC[C@@H]1C[C@@H](NC(=O)NCc2cccc(OC)c2O)CCO1 817789879 SYCFSAYSULNXOF-QWHCGFSZSA-N 308.378 2.158 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCOC[C@@H]2OC)c1 825737169 UPLZRXSXUWFNLG-OZVIIMIRSA-N 323.389 2.020 10 10 DECE Cc1cc(O)c(CN2CCC3(CC2)CNC(=O)N3C)c(Cl)c1 822530015 NMEAZFKPVWSRBP-UHFFFAOYSA-N 323.824 2.344 10 10 DECE COC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1cnccn1 491480823 YTBXTCDLPMRDGB-BQYQJAHWSA-N 323.352 2.256 10 10 DECE COc1cccc(CNC(=O)c2cnn3c2C[C@@H](C)CC3)c1O 843830934 BYIHVYWMXRQPQU-NSHDSACASA-N 315.373 2.110 10 10 DECE C[C@H]1CCC[C@@H](C)N1CCNC(=O)NCCc1ccc(N)cc1 841795728 WJDBIIMLYULVDC-GASCZTMLSA-N 318.465 2.373 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)[C@H]2CCC[C@H]21 840951648 DEYHTXJTTHTRAL-SJORKVTESA-N 322.474 2.213 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1F 844933425 FWFOQQXNMVLFAW-PHIMTYICSA-N 313.323 2.298 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COc1ccc(N)cc1 1952909443 IVEDYDXOLMBPPD-CABCVRRESA-N 321.421 2.245 10 10 DECE COc1cccc([C@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)c1O 846169913 GWEVMYKAWVTEPY-WDEREUQCSA-N 313.419 2.017 10 10 DECE CC[C@@H]1CCCCCN1C(=O)C(=O)NCCc1ccc(N)cc1 842242655 URPMJIQSESENKC-MRXNPFEDSA-N 317.433 2.109 10 10 DECE C[C@@H](N[C@@H]1CNC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl 925785297 WAQCRDWIRZTXJP-PBFPGSCMSA-N 323.868 2.435 10 10 DECE CCc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1F 752394029 ALCHHZGHYWRWQC-UHFFFAOYSA-N 316.332 2.349 10 10 DECE C[C@@H](CN(C)CCCN(C)C)NCc1ccc(N(C)C)c(F)c1 850353848 NUYHFBSEOWBBCT-HNNXBMFYSA-N 324.488 2.253 10 10 DECE COc1ccc(CNC(=O)NC[C@@H](C)c2ccccn2)c(O)c1 854260636 SPBCSNOMLSWJJK-GFCCVEGCSA-N 315.373 2.399 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3c(C)ccn3C)C2)cc1 855227862 QNRBAIDLLRGXJA-CQSZACIVSA-N 313.401 2.351 10 10 DECE CNC(=O)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 863162096 SNFRZSYJMCASNL-UHFFFAOYSA-N 313.401 2.155 10 10 DECE O=C(NCc1ccccc1O)NC[C@H]1CCC12CCOCC2 869029496 XNQGUVPQDCTINQ-CQSZACIVSA-N 304.390 2.398 10 10 DECE COc1cc(O)c(CN2CCC[C@@H]3COCC[C@@H]32)cc1OC 768462736 COOASPPSBSNGGX-OCCSQVGLSA-N 307.390 2.410 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)cc(OCCO)c1 773730720 PSCCJCULDCETTP-UHFFFAOYSA-N 303.314 2.030 10 10 DECE C[C@@H](NC(=O)c1c(Br)cnn1C)c1ccccc1O 1557966898 SHLQOWLFVRHGEH-MRVPVSSYSA-N 324.178 2.379 10 10 DECE COC[C@H](NCc1ccc(F)c(F)c1O)[C@@H]1CCCOC1 895859462 SDZAPUFIDKYPST-YPMHNXCESA-N 301.333 2.202 10 10 DECE COC(=O)[C@H](NCc1cc(OC)ccc1O)c1cccc(O)c1 792179992 KHXXTYZAOVBAJW-MRXNPFEDSA-N 317.341 2.110 10 10 DECE CCCNC(=O)CN(C)Cc1c(O)cccc1Br 707153586 YJYBGFOITDRLDX-UHFFFAOYSA-N 315.211 2.113 10 10 DECE Cc1nc(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)cs1 1912195157 NWLMQWSYWFODTM-VIFPVBQESA-N 301.397 2.163 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccc2nc[nH]c2c1F 1299574959 UKWBRSPDPMHNMA-UHFFFAOYSA-N 301.277 2.043 10 10 DECE CC(=O)C(=O)[C@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1919286843 RRBJHCQZLYYVEF-MRXNPFEDSA-N 307.346 2.399 10 10 DECE CCN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1C(=O)OC 1530863841 PTJHPVYJSLKXBK-MDZDMXLPSA-N 313.357 2.273 10 10 DECE Cc1cc(CO)cc(C)c1CNC(=O)Cc1ccc(O)c(O)c1 1471946873 CYFUUDDRZJSLBT-UHFFFAOYSA-N 315.369 2.066 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOc2ccc(F)cc21 1556208897 XSETVVMUOSJNKB-ZDUSSCGKSA-N 317.316 2.419 10 10 DECE Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(O)c1O 1637045227 AIICDDDCYQAYGP-UHFFFAOYSA-N 302.286 2.244 10 10 DECE O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(O)cs1 1566146115 LBNHPZGLEBCPCA-UHFFFAOYSA-N 308.403 2.023 10 10 DECE Cn1c(C(=O)NCc2cccc(Cl)c2O)cnc1Cl 1653567278 SFZIXRSJUGOYLY-UHFFFAOYSA-N 300.145 2.363 10 10 DECE OC[C@H]1C[C@H](CO)N(c2ccc(OCc3ccccc3)cc2)C1 1899867794 RLDCYJNOXXTCRR-FUHWJXTLSA-N 313.397 2.445 10 10 DECE C[C@H](O)c1ccc(N2CC(C)(CO)C2)cc1Br 1951062503 JXKGJMAFYZKAAZ-VIFPVBQESA-N 300.196 2.321 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cc(N)ccc1O 1977889986 JQPXPBHPVMJHDY-CQSZACIVSA-N 321.421 2.464 10 10 DECE CC(C)(C)OC(=O)NC1(C2(C(=O)N3CC(N=[N+]=[N-])C3)CC2)CC1 1985102166 CIUVGRCOVNDNKC-UHFFFAOYSA-N 321.381 2.345 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)[C@H](N)c2ccccc2O)C1 1993190524 YAROQLBOFNELSJ-KCPJHIHWSA-N 322.405 2.010 10 10 DECE CCNCc1ccc(N(C)C2CN(C)C2)cc1Br 2028798559 OIAGELPDFOGTIV-UHFFFAOYSA-N 312.255 2.309 10 10 DECE N[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1C(F)F 2040871138 BRVKJFSAZUMQBJ-UWVGGRQHSA-N 321.165 2.179 10 10 DECE CCN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1Cl 78904334 KSCVYXGPOBRSGC-NSHDSACASA-N 316.854 2.245 10 10 DECE Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1cnnn1C 2048293068 GBNGPDIHYGDDNZ-UHFFFAOYSA-N 313.386 2.148 10 10 DECE C[C@H](CS(=O)(=O)C(C)(C)C)NCc1c(O)cccc1F 2170600864 OOXKMMAXXZPSIT-SNVBAGLBSA-N 303.399 2.223 10 10 DECE CCN([C@H]1CCS(=O)(=O)C1)[C@H](C)c1cc(F)ccc1O 387312784 BCJCKAVKSGQMNQ-PWSUYJOCSA-N 301.383 2.101 10 10 DECE Nc1ccc(CC(=O)Nc2cc(Br)ncn2)cc1 2043850081 MMDRTMZHFVYHSJ-UHFFFAOYSA-N 307.151 2.003 10 10 DECE Cc1nn[nH]c1CNCc1cc(Br)cc(F)c1O 2066409254 SICOKPWDPSNSNQ-UHFFFAOYSA-N 315.146 2.010 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2CN3C)cc1Br 2067409477 YDJVLFFRFXETIY-USWWRNFRSA-N 311.223 2.395 10 10 DECE CN[C@H](C)c1ccc(N2CC3(CN(C)C3)C2)c(Br)c1 2095938766 GKCAWMKPVSRNEU-LLVKDONJSA-N 324.266 2.481 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNc2ccc(N)cc2)C1 2212240626 SOANJIDKWQGQLE-KRWDZBQOSA-N 321.421 2.443 10 10 DECE Nc1ccc(CCC(=O)Nc2cnncc2Br)cc1 2278724351 BJCSDVLVQHTEIU-UHFFFAOYSA-N 321.178 2.393 10 10 DECE CSc1ncc(CN=c2[nH]ccnc2Br)s1 2243831801 DSCXVDGSAZOVEY-UHFFFAOYSA-N 317.237 2.452 10 10 DECE NCCCC[C@@H](Nc1c(N)cccc1Br)C(=O)O 2260917681 FJOKAZJQAMJBCL-SNVBAGLBSA-N 316.199 2.025 10 10 DECE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S 2293055331 OEINKKZULXLWMF-NSHDSACASA-N 322.411 2.392 10 10 DECE COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 2297314404 PITKDZCHBCHKFH-UHFFFAOYSA-N 322.320 2.362 10 10 DECE CCCS(=O)(=O)NCc1ccc(C)c(Br)c1O 2307569583 JWKJHROYTQYNAL-UHFFFAOYSA-N 322.224 2.293 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H]3[C@@H]2CN)c(O)c1Br 2327621705 QFDDMXWHMKHCQJ-TUAOUCFPSA-N 311.223 2.242 10 10 DECE COCc1ccsc1C(=O)NCCc1ccc(O)c(O)c1 179866413 DYHFQGJPXMXBNL-UHFFFAOYSA-N 307.371 2.278 10 10 DECE NC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccncc2)S1 39869900 MKEUVONIJGACKG-LCYFTJDESA-N 324.365 2.263 10 10 DECE CNS(=O)(=O)c1cccc(N[C@H](C)c2ccccc2O)c1 36978882 MJIWSYHCDKATLJ-LLVKDONJSA-N 306.387 2.473 10 10 DECE COC(=O)C[C@H](N)c1c(Cl)ccc(Br)c1O 95706361 GGCJBQPWXIHKRS-ZETCQYMHSA-N 308.559 2.371 10 10 DECE CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 92096889 CQJBUHDTEFKQQZ-KRWDZBQOSA-N 301.434 2.387 10 10 DECE COCCC1(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 291258984 MLSIXBCRGIGHSG-UHFFFAOYSA-N 323.412 2.460 10 10 DECE CCOc1ccc(CN2CCO[C@]3(CCCOC3)C2)c(O)c1 809687128 UJWIINWUILMSON-QGZVFWFLSA-N 307.390 2.172 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cn4cccnc4n3)C2)cc1 826846675 XHZPQPVAMOZLHE-CQSZACIVSA-N 323.400 2.106 10 10 DECE O=C(NCc1ccc(N2CCCCC2)cc1)C12CCN(CC1)C2 900405739 ZYVLDPJPARBHAI-UHFFFAOYSA-N 313.445 2.389 10 10 DECE CN(Cc1cc[nH]n1)C(=O)NCc1ccc(N2CCCC2)cc1 732673653 CVXJRQYNXUFRHM-UHFFFAOYSA-N 313.405 2.352 10 10 DECE Nc1ccc(CCNC(=O)N2CCC[C@H](OC(F)F)C2)cc1 841960670 UZOCYACGBPIJSG-ZDUSSCGKSA-N 313.348 2.225 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H]3CCC3(OC)OC)C2)cc1 926681239 XBVAWZAMQVVKRA-CZUORRHYSA-N 306.406 2.015 10 10 DECE COc1ccc(N2CC[C@@H](N[C@H](C)c3ccn(C)n3)C2)cc1 850487602 OEPHGDDQCRBVTO-ZIAGYGMSSA-N 300.406 2.358 10 10 DECE CCN(CC)c1ccc(CNCC[C@H]2CC(=O)N(C)C2)cc1 922486493 VGNCKOSPOADMGA-INIZCTEOSA-N 303.450 2.491 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CC3(O)CCCC3)C2)cc1 855232029 PUJMGQLOCRMPDC-CQSZACIVSA-N 318.417 2.085 10 10 DECE CN(C)c1ccc(CNCCOCCCN)c(C(F)(F)F)c1 863649722 GZJZSSOVCVKRRS-UHFFFAOYSA-N 319.371 2.226 10 10 DECE CCN1CC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C 882484164 UVQRZFUOGBZSAS-HNNXBMFYSA-N 312.417 2.313 10 10 DECE CCN(Cc1cnn(C)c1)C(=O)c1ccc(N=NC(N)=O)cc1 1136608454 AUOLNOMFTWMDRD-UHFFFAOYSA-N 314.349 2.245 10 10 DECE CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1O 897248521 ZPTOUFUTIBVOQA-PELKAZGASA-N 307.371 2.155 10 10 DECE COC(=O)c1cc(C)c(C(=O)NCc2cc(C)ccc2O)o1 899132995 HEFLJBIUHWKITQ-UHFFFAOYSA-N 303.314 2.319 10 10 DECE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc(O)cs1)C[C@@H](C)O2 798118910 PQXPSIGNFAMBGW-HFAKWTLXSA-N 311.403 2.252 10 10 DECE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccnn1 712703737 UMCWARUMIATEJD-UHFFFAOYSA-N 320.157 2.290 10 10 DECE CCCCN1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1142627543 QOAHAGFOYOMVAN-HNNXBMFYSA-N 320.433 2.411 10 10 DECE CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CN)cc1Cl 694097877 BCCDKXGBHNLVIC-LBPRGKRZSA-N 316.854 2.202 10 10 DECE O=C(NCc1nnc2ccc(Cl)cn12)c1cc(O)cs1 1301188740 IJVVBDOKDXEQCB-UHFFFAOYSA-N 308.750 2.080 10 10 DECE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1c1ccc(N)cc1 1959518475 GICRGLNVDWNUDD-ONGXEEELSA-N 301.312 2.305 10 10 DECE CN1C[C@@H](CCNCc2ccc(N3CCCC3)cc2)CC1=O 1354176072 XGMULIKSVKEWEN-INIZCTEOSA-N 301.434 2.245 10 10 DECE Cn1cc(Br)c(C(=O)N2CCC(N=[N+]=[N-])CC2)n1 1912168037 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2.393 10 10 DECE C[C@@H]1CN(Cc2cccc(Br)c2O)CC[S@@]1=O 1970337911 IRYHHKFKTOWXGA-XLFHBGCDSA-N 318.236 2.108 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@H]21 2151233879 ZCEDXYMAIOYVOY-GIPNMCIBSA-N 315.822 2.226 10 10 DECE C[C@@H]1[C@@H](N(C)C)CCN1c1ccc(CN)cc1Br 311208722 KKHZHIUKTMCQMN-MFKMUULPSA-N 312.255 2.437 10 10 DECE CC1(C)CNCCN1Cc1cc(Br)cc(F)c1O 715764813 BJJBYQDKCJJKGQ-UHFFFAOYSA-N 317.202 2.478 10 10 DECE Oc1cccc(Br)c1CN(CC1CC1)C1CNC1 2042131639 QPBJUOYSXPCNHC-UHFFFAOYSA-N 311.223 2.339 10 10 DECE CCn1cc(Br)c(C(=O)N(C)CCCN=[N+]=[N-])n1 2060858368 PDFLHQXBEFUUAI-UHFFFAOYSA-N 315.175 2.438 10 10 DECE CN[C@@H](C)c1ccc(N2CC(C[S@@](C)=O)C2)c(Cl)c1 2110343097 GUEQTEORGKATKF-APBUJDDRSA-N 300.855 2.435 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)cc(F)c1 2234166111 KDMVNTDYCDRVIS-QWRGUYRKSA-N 302.306 2.475 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCC(C)(F)F 2283699143 VOAVCEAXNBPJQA-LXGOIASLSA-N 304.362 2.390 10 10 DECE CSc1ncc(CNC(=O)C[C@@H](CN)CC(C)C)s1 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304.362 2.124 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)Cc1ccc(Cl)cc1 35366595 HFLAIESYSONYND-UHFFFAOYSA-N 303.793 2.410 10 10 DECE CC(C)CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 77442543 USAHTCXJEUQISF-UHFFFAOYSA-N 306.406 2.285 10 10 DECE C[C@H]1CCCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490506 AURDOTICHWTCES-SWLSCSKDSA-N 312.435 2.146 10 10 DECE C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)CCN1C 93644239 ZNHWGWAXYWPIJE-VQIMIIECSA-N 317.477 2.438 10 10 DECE COc1ccc(N2CCN(C(=O)CCCCCCN)CC2)cc1 237280216 DZYVOROHKOILJO-UHFFFAOYSA-N 319.449 2.253 10 10 DECE COc1cc(O)c(CN(C)C[C@@H]2CCCC[C@H]2O)cc1OC 245895574 CZDVVWUNBIXOCK-GXTWGEPZSA-N 309.406 2.392 10 10 DECE CCN1C(=O)[C@@H](C)Oc2ccc(N3[C@@H](C)CNC[C@H]3C)cc21 41581334 IJGJXQBRIDTCTN-FRRDWIJNSA-N 303.406 2.007 10 10 DECE COC(=O)/C=C/c1ccc(N2CCO[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 268818326 OLQYVAXYIZLIIB-ONYUAGEFSA-N 320.345 2.395 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)NCCc3nnc[nH]3)c2C)c1 266079190 FKHFNOXMUHFAJZ-UHFFFAOYSA-N 323.400 2.493 10 10 DECE Cc1nn(C)c(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 280731300 DOWPZXPBVWGSPP-VIFPVBQESA-N 318.377 2.201 10 10 DECE CCN1CCc2cc([C@@]3(N)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2167078960 ITMYGTCGVIZATO-JZXOWHBKSA-N 314.429 2.396 10 10 DECE CCOCc1cc(CNC2CCC(C(N)=O)CC2)ccc1OC 727645412 JACUHVRVEIESFU-UHFFFAOYSA-N 320.433 2.365 10 10 DECE CC1(C)COC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 836320093 IUBYRXSTWXDAMT-INIZCTEOSA-N 315.417 2.287 10 10 DECE CN(Cc1ccccc1O)c1nnc([C@@]2(C)CCCO2)n1C 834917835 OLJPYWCORLEWCR-MRXNPFEDSA-N 302.378 2.183 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2c(C)nn(C)c2C)c1 734067628 POKUTKZIHZIUEN-UHFFFAOYSA-N 304.350 2.073 10 10 DECE COC(=O)C[C@]1(NC/C=C/c2ccc(N(C)C)cc2)CCOC1 835046608 LGQBHARIWGGXRZ-SHCNBLLESA-N 318.417 2.078 10 10 DECE Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 840949921 CKTHRHYNXTVMEZ-BHIYHBOVSA-N 318.461 2.423 10 10 DECE CC1(C)CO[C@@H](CC(=O)N(CC(=O)O)Cc2ccccc2O)C1 911487094 BBXXSRAIJPSLOF-ZDUSSCGKSA-N 321.373 2.011 10 10 DECE C[C@@H](O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 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CC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2O)cn1 1476775090 QEGDLEVLPQIVJR-UHFFFAOYSA-N 314.345 2.092 10 10 DECE CCNc1c(C(=O)NC)ccc2c1C(=O)c1ccccc1C2=O 1615946690 AFTMBRHZQGRZEI-UHFFFAOYSA-N 308.337 2.253 10 10 DECE O=C(CCN1CC[C@@H](F)C1)NCc1ccc(N2CCCC2)cc1 1540729063 GQAJVHMYAUCALB-MRXNPFEDSA-N 319.424 2.337 10 10 DECE CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2O)cc1F 1542430477 XBSQLCPCQTUDIP-XJKSGUPXSA-N 308.397 2.449 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCCOC2)cc1C 1713299856 NYMBCLBYAYWNIX-GOEBONIOSA-N 320.433 2.025 10 10 DECE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Cl)c1 228763176 INDVEJJKZOQCHG-QWRGUYRKSA-N 316.854 2.244 10 10 DECE COc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1O 1630366001 IAPMFVQTULFWQQ-UHFFFAOYSA-N 320.276 2.378 10 10 DECE C[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1637125682 BOXOIHPEPHBJHK-GOSISDBHSA-N 315.369 2.098 10 10 DECE C[C@@H](CC(=O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1588019896 AHQDBKQZZLIORD-LBPRGKRZSA-N 313.353 2.418 10 10 DECE NCc1ccc(N(CC(N)=O)Cc2ccccc2)cc1Cl 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CNCc1ccc(N(C)C[C@@H](C)CO)cc1Br 688428118 XJQYOZODUQJQID-SNVBAGLBSA-N 301.228 2.233 10 10 DECE CS(=O)(=O)C[C@@H]1CCCN(c2ccc(CN)cc2Cl)C1 380404594 CFXGTWLZIXXLLH-GFCCVEGCSA-N 316.854 2.060 10 10 DECE CN(C)CCC1CN(c2ccc(CO)c(Br)c2)C1 2056599333 XTWYGGDVQVPGMR-UHFFFAOYSA-N 313.239 2.329 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)cc1Br 2254033332 AUWMWHVFZUCMIC-ISTVAULSSA-N 312.207 2.464 10 10 DECE COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 2244601873 NXQTVJBDVXCSOH-UHFFFAOYSA-N 322.405 2.113 10 10 DECE CCN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2OC)C1=O 2294064365 JYZWLCZCPNVKHF-UHFFFAOYSA-N 315.373 2.208 10 10 DECE CCN(CC)C[C@H](c1ccc(N(C)C)cc1)N1CCNC[C@H]1C 249937608 GMIYKQRFMBNNQL-VQIMIIECSA-N 318.509 2.429 10 10 DECE CNC(=O)c1cncc(C=CC(=O)N2CCc3cccc(C)c32)c1 2297520956 OWCLLCWRZZHJBE-UHFFFAOYSA-N 321.380 2.352 10 10 DECE CCOC(=O)c1ccc(N=NN2CCN(C(C)=O)CC2)cc1 2330149802 WSASMFHRFUPYGD-UHFFFAOYSA-N 304.350 2.026 10 10 DECE COc1ccc(N=NN2CCC(C(=O)O)CC2)cc1[N+](=O)[O-] 2330193091 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CCOc1ccc(CNC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848561967 FCIGTIIDLNBPPY-SOUVJXGZSA-N 322.449 2.378 10 10 DECE COc1cccc([C@@H](C)NCC(C)(C)[C@]2(O)CCOC2)c1O 846172983 OQRDVVRECNZAKT-PXAZEXFGSA-N 309.406 2.229 10 10 DECE CCCN(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 856281714 IIRJGSYLFSELSD-VQHVLOKHSA-N 306.406 2.348 10 10 DECE C[C@H](N[C@H]1CN(C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 765332339 WJAUTHVMLBANQR-MPGHIAIKSA-N 303.450 2.124 10 10 DECE CN(C)c1cc(F)c(CN2CC(F)(F)C[C@@H]2CO)cc1F 862335594 KGKGAHBWDOYHRK-SNVBAGLBSA-N 306.303 2.233 10 10 DECE COC(=O)/C=C/c1ccc(N2CCCOC[C@H]2C)c([N+](=O)[O-])c1 772912477 TXALUCYVXRSKCL-HOSRBBHYSA-N 320.345 2.396 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccns2)c1O 895452705 SDQSMEFGPWEYTO-UHFFFAOYSA-N 309.347 2.398 10 10 DECE COC(=O)c1c(CN[C@@H](C)CCCO)c2cc(F)ccc2n1C 894352222 MBMYLBMOBRCYDG-NSHDSACASA-N 322.380 2.355 10 10 DECE CNCc1ccc(N(C)C[C@H](O)C2CC2)cc1Br 690256055 AMZXWWRWMWUAOF-AWEZNQCLSA-N 313.239 2.376 10 10 DECE 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CSc1ncc(CN[C@H]2CCOC23CCOCC3)s1 2208788358 KSQDZZZTKDQVKE-NSHDSACASA-N 300.449 2.293 10 10 DECE O=S(=O)(CCNCc1ccc(Cl)cc1O)C(F)(F)F 2224285677 RDCJLCGFURCXRF-UHFFFAOYSA-N 317.716 2.070 10 10 DECE COc1ncc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)cn1 492654361 SUMYCZUZDJRTRM-IHWYPQMZSA-N 317.295 2.366 10 10 DECE NCc1ccc(N2CCC3CC2(CO)C3)cc1Br 2314888653 AJYNBGCTGQRBJY-UHFFFAOYSA-N 311.223 2.259 10 10 DECE CCOC(=O)N1CCN(N=Nc2ccc(OC)cc2OC)CC1 2330200026 ONNIRVCITQLMJN-UHFFFAOYSA-N 322.365 2.477 10 10 DECE O=C(O)[C@@]1(Sc2nccs2)CO[C@]2(CCCOC2)C1 2351875841 VDOFZYMYODAAQX-NEPJUHHUSA-N 301.389 2.028 10 10 DECE COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1Cl 10213482 SYGSUIHFSZSNEA-UHFFFAOYSA-N 311.721 2.481 10 10 DECE COc1ccc(N2CCN(C(=O)CCCSC)CC2)cc1 172406142 ITBDSXXEYCZXGP-UHFFFAOYSA-N 308.447 2.487 10 10 DECE COc1cccc(CNC(=O)CCc2ccccc2O)c1O 68488522 WYWPWNJSHJPIPB-UHFFFAOYSA-N 301.342 2.355 10 10 DECE CCN(CC)c1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1 128098545 CHUPUKLGMJIKRE-SFHVURJKSA-N 305.466 2.295 10 10 DECE 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404812988 OGGGDAUGXXSPPH-UHFFFAOYSA-N 312.192 2.418 10 10 DECE CN(Cc1cccnn1)c1ccc(CN)c(Br)c1 700649830 HVWQMXDKSPCIFQ-UHFFFAOYSA-N 307.195 2.334 10 10 DECE CN1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]2C1 706242995 OCMMANOHIDLHEL-RYUDHWBXSA-N 311.223 2.148 10 10 DECE CN(CC(C)(C)S(C)(=O)=O)c1cc(Cl)c(CN)cc1F 2177382430 AFYHMGVXNFSBTK-UHFFFAOYSA-N 322.833 2.197 10 10 DECE CNC(=O)c1cc(CC(C)C)nn1Cc1c(O)cccc1F 2070094831 LTWKONSNSGKTAY-UHFFFAOYSA-N 305.353 2.334 10 10 DECE C[C@H](O)c1cc(F)c(N2CCS[C@H](CCO)C2)c(F)c1 2194512899 RZSKCXZOBFKTCR-GXSJLCMTSA-N 303.374 2.322 10 10 DECE COc1ccc(Br)c(CN[C@@H]2CC[C@H]2CO)c1O 2220463253 YKEDAIUPJDAFKZ-GZMMTYOYSA-N 316.195 2.024 10 10 DECE CS(=O)(=O)CCC1CC(NCc2c(O)cccc2Cl)C1 2233934700 OXWBRDYLJWNNLH-UHFFFAOYSA-N 317.838 2.349 10 10 DECE OCC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 305733425 OZBSIOLJWKYUOI-KRWDZBQOSA-N 304.434 2.260 10 10 DECE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1O 253356846 JAFDZRHYZWFVSG-ZEMMOTMKSA-N 321.804 2.449 10 10 DECE COc1nccnc1CN(C)c1ccc(OCCN(C)C)cc1 824161808 QLGWADTYJINISC-UHFFFAOYSA-N 316.405 2.062 10 10 DECE CC(C)[C@H](O)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 588408621 PWCKOTXUQUQCBP-IOBAAEILSA-N 307.390 2.270 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@]2(C)CCCCO2)c1 918746602 YZPMKXJXYQQEKF-INIZCTEOSA-N 308.378 2.159 10 10 DECE CO[C@@](C)(CO)CNCc1ccc(N(C)C)cc1C(F)(F)F 848561093 ULNHPHKWJIXDLW-CQSZACIVSA-N 320.355 2.258 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCN1C1CCCC1 863031437 GRAZCRFHXPBHHN-LYASGUKUSA-N 316.401 2.244 10 10 DECE C[C@@H](OCC1CC1)C(=O)NCc1ccc2cccnc2c1O 862028352 WHLHBDWRVLHFCJ-LLVKDONJSA-N 300.358 2.372 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC1(CCO)CCCCC1 768395311 XXGOPTXNSUFXAT-ALCCZGGFSA-N 305.374 2.313 10 10 DECE Nc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 62460510 NSUYSFSTKZBLHB-UHFFFAOYSA-N 324.428 2.025 10 10 DECE COc1cc(N2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1OC 782386303 QWFRDSGIOPUBSP-UHFFFAOYSA-N 308.334 2.229 10 10 DECE COC(=O)c1c(CN(C)[C@@H]2CCOC2)c2cc(F)ccc2n1C 894002938 YTHMAPKSYPZFJH-GFCCVEGCSA-N 320.364 2.325 10 10 DECE COc1ccccc1C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1139599702 CXBIMJHMVCLFAS-LBPRGKRZSA-N 315.369 2.396 10 10 DECE CCNCc1ccc(N2CC[S@](=O)[C@@H](C)C2)cc1Cl 2115328616 LBTUNOBPPMIDTO-WLRWDXFRSA-N 300.855 2.407 10 10 DECE CN1CCCc2cc(CNC(=O)[C@H]3Cc4cccnc4C3)ccc21 1346304389 FTCTXXIJACGVGA-KRWDZBQOSA-N 321.424 2.495 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C2OCCO2)c1 1556489146 ZKJNHFVZYVFSPP-UHFFFAOYSA-N 315.325 2.324 10 10 DECE COc1ccc(CNC[C@@H](C)N(C)C(=O)C[C@@H](C)OC)cc1C 1496019363 ZDLFSFGURQGDSC-HUUCEWRRSA-N 322.449 2.365 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1CC1CCC1 1632613071 REBRHNPLIPHOHT-UHFFFAOYSA-N 301.346 2.276 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N1CCCS(=O)(=O)CC1 2138554277 WGSQYSPFYAGIEF-JTQLQIEISA-N 303.811 2.227 10 10 DECE O=C(NCc1c(O)cccc1O)c1cnc(CC2CC2)s1 1597574488 NEFLPAAXIKOTQA-UHFFFAOYSA-N 304.371 2.437 10 10 DECE C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15034476 DITCXRFKITWEGN-LOBLAWFCSA-N 309.368 2.067 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3ccccc3N)CO[C@H]2C1 1895652745 PIAQGQJRPXIMGF-GLQYFDAESA-N 319.405 2.315 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H](F)CCNC(=O)OC(C)(C)C 1885561492 SCNCUBHONGYNOQ-SECBINFHSA-N 303.338 2.008 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)CNC(=O)OCc1ccccc1 1887717937 QKWXAKXVHVHCDE-UHFFFAOYSA-N 305.338 2.072 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CC[C@H](F)C1 1965751040 ABDHBYPDPQCVES-YPMHNXCESA-N 301.383 2.292 10 10 DECE Oc1c(Br)cccc1CN1CCOC[C@H]1CF 1971805291 OUEMBVIITUCRKA-SNVBAGLBSA-N 304.159 2.325 10 10 DECE CC1(C)C[C@H](NCc2ccc(Cl)cc2O)CCS1(=O)=O 2146316222 LHUJRKCSSPHOPK-GFCCVEGCSA-N 317.838 2.491 10 10 DECE CC(C)(C)OC(=O)NC1CC(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985093652 COAKYXDWHGCWGJ-VOMCLLRMSA-N 323.397 2.449 10 10 DECE CC1(C)C[C@H](NCc2ccc(Br)cc2O)[C@@H]1O 1998372413 MMROUGBESDYIDF-JQWIXIFHSA-N 300.196 2.404 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1COCC1(F)F 2014286958 BNTUCXFGBVHYIH-SNVBAGLBSA-N 308.122 2.278 10 10 DECE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1ccc(Cl)cc1O 2156774174 ZDPCEODIJSJKTC-GWCFXTLKSA-N 317.838 2.491 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](O)C(F)(F)C2)cc1Br 2034594952 GMISPVZTCJTANZ-HQJQHLMTSA-N 322.149 2.319 10 10 DECE COCCCN(CCOC)c1cc(Cl)c(CN)cc1F 2177379419 ZCBQUCMMCXDUMZ-UHFFFAOYSA-N 304.793 2.427 10 10 DECE C[C@@H]1OCCO[C@@H]1CN(C)c1cc(Cl)c(CN)cc1F 2177390498 LCNALPHBQCPNHQ-LKFCYVNXSA-N 302.777 2.178 10 10 DECE Oc1cc(Br)ccc1CN1CCN2CCC[C@H]2C1 691779676 NEQGQDAKKKZCDW-ZDUSSCGKSA-N 311.223 2.435 10 10 DECE NCc1ccc(N2CCCC[C@@H](O)C2)c(F)c1Br 2050106991 ADVBZOYHODZYPA-SNVBAGLBSA-N 317.202 2.398 10 10 DECE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])nc1Br 2218736818 BVEYKQFLASZQMK-RQJHMYQMSA-N 313.159 2.144 10 10 DECE CSc1ncc(CN=c2cc(Br)nc[nH]2)s1 2243831822 DYQIPJYHTQRXJP-UHFFFAOYSA-N 317.237 2.452 10 10 DECE CSc1ncc(CNC(=O)c2ccc(Cl)nn2)s1 2257111106 AHRFUDMOAONGHG-UHFFFAOYSA-N 300.796 2.238 10 10 DECE Cc1c(Cl)ccc2c1NC(=O)C2=C1SC(=S)NC1=O 2294780500 JDKYCBGMRJNHBE-UHFFFAOYSA-N 310.787 2.460 10 10 DECE CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)F 2287199659 BLRUMQWCJQPVNE-JOYOIKCWSA-N 306.378 2.368 10 10 DECE CSCCN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2298249890 YXBJZZDIYBIELY-UHFFFAOYSA-N 320.458 2.358 10 10 DECE Cc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cn1 492548158 NXFXMOXJYBCGKF-FDMDGMSGSA-N 321.380 2.409 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H]2OCCC[C@@H]2C1 2308002024 NZFDVRNKKRSCFM-CJNGLKHVSA-N 303.358 2.139 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]2OCC[C@H]12 2308002164 BMJRSESKYKNLRW-XJKCOSOUSA-N 303.358 2.185 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)cc1Br 2309934212 YSYQDGNGIDRLHH-AWRWRYAPSA-N 311.223 2.428 10 10 DECE Cc1ccc(CNCc2[nH]nnc2C)c(O)c1Br 2327621441 NGYYUHQOJQLTRY-UHFFFAOYSA-N 311.183 2.179 10 10 DECE Cc1ccc(CN(C)Cc2ncon2)c(O)c1Br 2327608009 ISVNKJDFVASXKY-UHFFFAOYSA-N 312.167 2.478 10 10 DECE Cc1ccc(CN2[C@H]3C[C@H]2CN(C)C3)c(O)c1Br 2327792301 IGGWZLVMZMVAPF-RYUDHWBXSA-N 311.223 2.351 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CCCN1 1951471949 OFFUWXSGGJAEQD-OLZOCXBDSA-N 322.405 2.286 10 10 DECE COc1ccccc1NC(=O)CN(C)Cc1ccccc1O 109768984 ZLBVDPVJSRKCSK-UHFFFAOYSA-N 300.358 2.471 10 10 DECE CN(C[C@@H]1CCCN1C)c1ccc(CN)cc1Br 213029412 NKMYGUSKMWIOAX-LBPRGKRZSA-N 312.255 2.438 10 10 DECE Cc1cc(O)cc(C)c1NS(=O)(=O)CCCCCCN 2364181464 BICMQWSNGBTCBN-UHFFFAOYSA-N 300.424 2.270 10 10 DECE Cn1cc(CCNCc2cc(Br)ccc2O)cn1 227438703 BXWFMHWYNSCNRD-UHFFFAOYSA-N 310.195 2.221 10 10 DECE CC[C@@H]1[C@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(OC)c1O 229104297 HYDXPLCWWWUULP-KWCYVHTRSA-N 310.825 2.484 10 10 DECE CCNCc1ccc(N(C)C[C@@H](C)O)c(Br)c1 233511102 SUQUEUSJOFUUDP-SNVBAGLBSA-N 301.228 2.376 10 10 DECE Cn1cc(-c2c[nH]cc2C(=O)N2C[C@H](CO)c3ccccc32)cn1 353783828 CRIGRLLRRGOSDI-CYBMUJFWSA-N 322.368 2.152 10 10 DECE O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCC[C@H]1O 266746291 DTKCUPACQDXNTH-DOTOQJQBSA-N 315.417 2.023 10 10 DECE CC(=O)N1C[C@H]2[C@@H](NCc3cccc(F)c3O)CCC[C@H]2C1 809788295 PSDLFUDHZFODCQ-LZWOXQAQSA-N 306.381 2.268 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(Br)c(C)c1F 808545788 NQAWVZOIFMCSQW-UHFFFAOYSA-N 317.110 2.212 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H]3CN(C)C[C@@H]3C)C2)cc1 818221481 NHCWGNQDHZPLOD-DAYGRLMNSA-N 303.450 2.061 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)c1cccc(Br)c1 812607784 YETGGTJGZWDVPT-MRVPVSSYSA-N 313.147 2.254 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C2CC2)c1N 905448806 QMPMMINRIYEFAH-UHFFFAOYSA-N 313.405 2.138 10 10 DECE COc1cc2c(c(OC)c1)N(Cc1ccnc(OC)n1)CCC2 839655772 QWDDUAASNKOXFB-UHFFFAOYSA-N 315.373 2.455 10 10 DECE Cn1cc(N2CCC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2)cn1 834602023 HMWDMOMTYMCKCB-GDBMZVCRSA-N 312.417 2.372 10 10 DECE Cc1cc(Cl)cc(CNCCS(=O)(=O)C2CC2)c1O 840966067 OXJDJRBUWDSXRH-UHFFFAOYSA-N 303.811 2.021 10 10 DECE COC(=O)c1cc(CNCc2cc(OC)ccc2O)c(C)o1 848897692 STFVJUULQAAFGW-UHFFFAOYSA-N 305.330 2.379 10 10 DECE COc1ccc(N2CC[C@H](NCc3cnc(N)s3)C2)cc1 849350560 QHRIUENSOXAORH-NSHDSACASA-N 304.419 2.102 10 10 DECE COc1ccc(N2CC[C@@H](NCc3c(C)n[nH]c3C)C2)cc1 850345908 NKRVSTDJUIDPML-CQSZACIVSA-N 300.406 2.404 10 10 DECE CCN(C)c1ccc([C@H](C)NC[C@@H](O)c2ccnn2C)cc1 927131133 HTPGUQBWORPQDH-SUMWQHHRSA-N 302.422 2.260 10 10 DECE Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)C)cc2)n1 858326888 HYWMJZOEBNBABF-CABCVRRESA-N 302.378 2.064 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2ccnn2C)c1 866612847 CEBWLVIRYAGKJC-WDEREUQCSA-N 303.362 2.324 10 10 DECE C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1 861590435 RJCQWLPGAYZNBK-GOEBONIOSA-N 314.433 2.003 10 10 DECE CCn1nccc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 769847085 JKKYDZOADGYMBV-UHFFFAOYSA-N 324.387 2.420 10 10 DECE COc1ccc(O[C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 778924399 VHIYURKYDYFVCQ-NSHDSACASA-N 317.341 2.190 10 10 DECE CN1CCCc2cc(CNC[C@@H](O)C[C@@](C)(O)C3CC3)ccc21 872199882 SENWCPWVQMAGNV-PKOBYXMFSA-N 318.461 2.071 10 10 DECE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1CCO 62460649 JROHSCKWMAGZHA-HZPDHXFCSA-N 305.422 2.223 10 10 DECE CCN(CC)c1ccc([C@@H]2C=C(C(=O)O)NC(=S)N2)cc1 76260612 QNXAQEAKKDBDEZ-LBPRGKRZSA-N 305.403 2.020 10 10 DECE CC(C)SC1=C(C(=O)O)NC(=S)N[C@@H]1c1ccccc1O 76259988 LMNYDASATRGCPS-SNVBAGLBSA-N 324.427 2.349 10 10 DECE CN(CCN1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 896157458 YFQVMNUKOPXQKU-UHFFFAOYSA-N 320.414 2.480 10 10 DECE COC(=O)c1cc2ccccc2c(CN2CCO[C@@H]3C[C@H]32)c1O 793613651 GXLMGZOUIFBNAW-HZPDHXFCSA-N 313.353 2.305 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3CN(C)C[C@@H]3C2)c(Br)c1 707002617 ULYGULLSUHGEON-CYZMBNFOSA-N 324.266 2.467 10 10 DECE CC(C)(C)[C@H](O)C[C@H](CO)NCc1c(O)ccc(Cl)c1F 790620220 YBWDPYQISNXJTA-NOZJJQNGSA-N 319.804 2.432 10 10 DECE O=C(CSc1nncs1)NCc1cc(Cl)ccc1O 1300400977 RBZFAGIUCGGWDK-UHFFFAOYSA-N 315.807 2.306 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1ccnc2[nH]cnc12 1305085399 XSKLCNMAVHFOHY-UHFFFAOYSA-N 302.721 2.247 10 10 DECE CC[C@H](F)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1266705628 OAIMIZYKIGCLJI-ZNMIVQPWSA-N 308.397 2.489 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 1447562598 KIEIDNKZRYSCIL-XNIJJKJLSA-N 305.374 2.103 10 10 DECE CC(C)(C)OC(=O)NC[C@@]1([C@H](N)c2ccccc2O)CCCO1 1923457629 LJGDENWPFQLEBR-RHSMWYFYSA-N 322.405 2.466 10 10 DECE C[C@@H](Cn1cccn1)NC(=O)c1cc2cc(O)c(O)cc2s1 1625369870 RSKQWYAUNHGBOF-VIFPVBQESA-N 317.370 2.328 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1nc2cnccc2s1 1630335605 RKSTYTZHWKYDDP-UHFFFAOYSA-N 315.354 2.075 10 10 DECE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)c2cnco2)cc1C 1674707434 CXMQPQSQXDAJOP-CHWSQXEVSA-N 317.389 2.288 10 10 DECE CC[C@H](F)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699660318 SFSKDVWKXYFNFW-AWEZNQCLSA-N 308.397 2.490 10 10 DECE N[C@H](c1ccccc1O)[C@@H](O)c1ncc(Br)s1 1943690734 NUIHYPQAZBPBSW-NXEZZACHSA-N 315.192 2.345 10 10 DECE CN(C(=O)OC(C)(C)C)C1([C@@H](O)[C@@H](N)c2ccccc2O)CC1 1978459698 OOFCUCWIJAGBGO-KBPBESRZSA-N 322.405 2.152 10 10 DECE O=[N+]([O-])c1cc(N(Cc2ccccc2)C2COC2)ccc1CO 1987996528 XVPPXLUIBGWIDC-UHFFFAOYSA-N 314.341 2.493 10 10 DECE NCc1ccc(N2CCS[C@@H]3COCC[C@@H]32)c(F)c1F 2170502475 GEXBIXJSFWYQDV-CMPLNLGQSA-N 300.374 2.134 10 10 DECE C[C@@H]1CCN(Cc2c(O)cccc2Br)[C@H]1C(=O)O 706627746 YUTXJPKRAZVTKV-PRHODGIISA-N 314.179 2.450 10 10 DECE O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCOc2ncccc21 2053628738 GRONPMWOJJSEPO-UHFFFAOYSA-N 311.297 2.429 10 10 DECE C[C@@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2O)CCS1(=O)=O 389366073 DBMLAXOODAEROJ-HQJQHLMTSA-N 324.229 2.364 10 10 DECE COc1ccc(Br)c(CN2CCOC[C@H]2C)c1O 1231546875 BKOCFTCOAGHJLR-SECBINFHSA-N 316.195 2.384 10 10 DECE CN(C)c1ccc([C@@H](N)c2nc(Br)cn2C)cc1 2042496096 ATMOOEQMDGKTNK-GFCCVEGCSA-N 309.211 2.297 10 10 DECE C[C@H](O)c1ccc(N2CC3(CC[C@@H]3O)C2)cc1Br 2059146013 GXSZRGQWDPYNLE-ZANVPECISA-N 312.207 2.464 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@H](O)C[C@H]3C2)c(Br)c1 2217896860 KVFCSEUYFLZIGI-COPLHBTASA-N 311.223 2.115 10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@]2(C)OC)c1O 2220449609 MMJCOHRQPSAQOF-YPMHNXCESA-N 316.195 2.430 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@@]2([C@@H]3CCCCO3)CCCO2)c1 1348899885 MFNHEBGVEDDJDQ-WMZOPIPTSA-N 319.401 2.435 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC1CCCC1 62836272 SRAREJUDWNSMRU-LLVKDONJSA-N 310.419 2.201 10 10 DECE CN(C)S(=O)(=O)c1ccc(NCc2ccccc2O)cc1 36955921 XEQSXZMACKMKQE-UHFFFAOYSA-N 306.387 2.255 10 10 DECE COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]2(C)Br)c1 528864703 QXWPJYVQLTYEMT-GXFFZTMASA-N 314.179 2.191 10 10 DECE CN[C@H](C)c1ccc(N2C[C@H](O)C[C@H]2CN(C)C)c(Cl)c1 252673184 HCKBKFHIVXIBGM-KWCYVHTRSA-N 311.857 2.122 10 10 DECE C=CC(=O)NCCC(=O)N(CCCC)Cc1ccccc1O 282503190 NSBBQLCYWUDKEI-UHFFFAOYSA-N 304.390 2.213 10 10 DECE CCS(=O)(=O)C1(CNCc2cc(Cl)c(F)cc2O)CC1 827581055 ZTCFXSNNJPKAKR-UHFFFAOYSA-N 321.801 2.242 10 10 DECE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 839650484 MHUKTRLEJFFGMX-SDDRHHMPSA-N 321.373 2.167 10 10 DECE O=C([C@@H]1[C@H]2COC[C@H]21)N(Cc1ccco1)Cc1ccccc1O 830137196 HMGLQBPPARDARB-QLPKVWCKSA-N 313.353 2.406 10 10 DECE CN(c1ccc(N)cc1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1O 1894712443 IXEOSRNLCAVGMZ-NWANDNLSSA-N 321.421 2.122 10 10 DECE COC(=O)c1cnc(SC[C@H](OC)[C@@H]2CCOC2)s1 1329533361 ZOSPSLXTAOAFTK-BDAKNGLRSA-N 303.405 2.073 10 10 DECE NCC1(CCNC(=O)NCCCSc2nccs2)CC1 846155743 VUJIJHPTEFGMMO-UHFFFAOYSA-N 314.480 2.054 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1c1cc(O)ccc1O 1952822840 DOWBJZPLSLIGTG-GWCFXTLKSA-N 323.345 2.481 10 10 DECE CC[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(F)cc1O 927147176 QXVIYDPFIOKGOF-WCQYABFASA-N 304.369 2.258 10 10 DECE CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)O1 855234205 VDRFMMGETGZCMV-YSVLISHTSA-N 318.417 2.348 10 10 DECE Cc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)on1 865597966 LGOXMCJSNOITRY-UHFFFAOYSA-N 323.343 2.388 10 10 DECE CN1CCn2nc(NCc3ccc(N(C)C)c(F)c3)cc2C1 865845050 NIFRKUXUBXKWPP-UHFFFAOYSA-N 303.385 2.146 10 10 DECE C[C@@H](NCc1nnnn1C(C)(C)C)c1ccc(N(C)C)cc1 775837633 NAYWMAXSKRKOGQ-GFCCVEGCSA-N 302.426 2.345 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1cn2c(n1)CCC2 1128704659 TXUZPJWGQYDHSB-UHFFFAOYSA-N 303.709 2.271 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@](C)(CO)COC)cc1Cl 689813880 NVOPOSDHXDKTSD-IAQYHMDHSA-N 300.830 2.454 10 10 DECE CC[C@@H](NCCC1CS(=O)(=O)C1)c1ccc(F)cc1O 796962225 SMVNSBYZULZPLB-CYBMUJFWSA-N 301.383 2.007 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(Cl)c2O)C1 776208844 LVQCLORHKMRENG-NWDGAFQWSA-N 317.838 2.491 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CCCSCC3)c(Cl)cc21 92750731 VTRJOYRLCOEBHI-ZDUSSCGKSA-N 311.838 2.496 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc2ccccc2c(O)n1 1303193027 FBUHOMVSZLRHQD-UHFFFAOYSA-N 310.309 2.282 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2ccc[nH]2)cc1C 1267346188 XOIRNEJWRUZJCU-UHFFFAOYSA-N 301.390 2.194 10 10 DECE CCN[C@@H](c1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1921025479 MECVDEZGEKZADR-AWEZNQCLSA-N 322.405 2.025 10 10 DECE COCC(=O)N[C@@H]1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1 1700888410 YCYHFUNKERMQRE-HZPDHXFCSA-N 320.433 2.025 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)C[C@@H](C)OC)cc1C 1715967166 OEQOFUOGDCBKDU-UONOGXRCSA-N 308.422 2.023 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 1628764304 ZOWYFXBSPVKTRJ-UHFFFAOYSA-N 311.301 2.200 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)C(F)F)cc1C 1482806493 YOXNJQMKAQUXJT-NSHDSACASA-N 300.349 2.253 10 10 DECE COc1ccc(CNC(=O)[C@H]2CCCN(C(C)C)C2)c(O)c1 1626080176 ZOBSXUXMMOQMPA-AWEZNQCLSA-N 306.406 2.137 10 10 DECE C[C@@H](NC(=O)c1cccc2c1NC(=O)CO2)c1ccccc1O 1635799342 ZPFSBTDVBDASMC-SNVBAGLBSA-N 312.325 2.214 10 10 DECE O=C(Cn1ncc2cccnc21)NCc1cccc(Cl)c1O 1653567065 IRKIIRUXXYNINP-UHFFFAOYSA-N 316.748 2.107 10 10 DECE c1ccc(-n2nccc2CNCc2ccc3c(c2)CCO3)nc1 1657031389 ZOHQLMBEZGGCRE-UHFFFAOYSA-N 306.369 2.492 10 10 DECE O=C1N=C(N2CCCC[C@H]2CCO)S/C1=C\c1ccco1 1399516 VYPRXQIBTVMKRP-KBICQTFXSA-N 306.387 2.487 10 10 DECE C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2O)CCS1(=O)=O 1967680074 KYTUNVAIZGSQFC-SKDRFNHKSA-N 303.811 2.101 10 10 DECE CN(Cc1ccccc1O)C(=O)/C=C\CNC(=O)OC(C)(C)C 1992574592 XXBCEINIHMSPMM-YFHOEESVSA-N 320.389 2.432 10 10 DECE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1cc(Cl)ccc1O 2156774145 BJHPAZJFOGOKHJ-GWCFXTLKSA-N 317.838 2.491 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C(CO)[C@@H]3C2)cc1Br 2030274592 GDSUSXCEUPJWLE-GGZOMVNGSA-N 311.223 2.143 10 10 DECE CN1CCCN(c2ccc(CN)cc2Br)CCC1 2035152130 YHNYTBBMIXUPBB-UHFFFAOYSA-N 312.255 2.440 10 10 DECE C[C@H]1C[C@@H](O)CCN1c1cc(Br)c(CN)cc1F 705587209 ZHYISUJVPZDDNZ-WPRPVWTQSA-N 317.202 2.397 10 10 DECE CNCc1ccc(N2CC[C@@](C)(CO)C2)cc1Br 381391382 SBDGEGLPIRPEPL-CQSZACIVSA-N 313.239 2.377 10 10 DECE C[C@H](N)c1ccc(N2CCN3CC[C@H]2C3)cc1Br 381678491 BGDRGTQSMYDDHO-JQWIXIFHSA-N 310.239 2.363 10 10 DECE CC[C@H](CO)N(C)c1ccc(CNC)cc1Br 383285287 JETQZHJAJFZXHH-LLVKDONJSA-N 301.228 2.376 10 10 DECE Cc1nn(C)c(Br)c1C(=O)N(C)CCCN=[N+]=[N-] 2065897579 MUYSOMALEXTKQY-UHFFFAOYSA-N 315.175 2.263 10 10 DECE NC[C@H]1CC(F)(F)CN1Cc1ccc(Br)cc1O 2264252184 IMRAZJBHDDBFGU-SNVBAGLBSA-N 321.165 2.323 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC3(CCS3)CC2)cc1 2286227557 LXFRYEMNBORVLN-UHFFFAOYSA-N 312.460 2.070 10 10 DECE CC(=O)Nc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2297312090 QEFAFYOZLJUIRT-UHFFFAOYSA-N 321.336 2.106 10 10 DECE Cc1ccc(CNC(=O)CC[C@H](C)N)c(O)c1Br 2327592308 SEUQEQOXRDRIIY-VIFPVBQESA-N 315.211 2.207 10 10 DECE Cc1ccc(CNC(=O)C[C@@H](C)CN)c(O)c1Br 2327586631 PGWYAEYUMQTZFY-MRVPVSSYSA-N 315.211 2.064 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2N=C(Cc3ccc(N)cc3)O[C@@H]2C1 107707515 HNASMOVWHDCFMB-UONOGXRCSA-N 317.389 2.228 10 10 DECE Oc1c([C@H]2CNCCN2)cc(Cl)c(F)c1Br 309388623 NEBNORRULJLFKP-SSDOTTSWSA-N 309.566 2.181 10 10 DECE CCN(C)c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 33247353 DPLAIBDFXQEGSG-TWGQIWQCSA-N 316.317 2.010 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@H](c2cnn(C)c2)N(C)C)c1 185485347 DZMOSTZEWZFJSH-MLGOLLRUSA-N 318.421 2.088 10 10 DECE Cn1nc(C(F)F)c([C@H](NCCN=[N+]=[N-])C(=O)O)c1Cl 2365331942 NIJAFWXATBODDL-LURJTMIESA-N 308.676 2.037 10 10 DECE NC(=O)[C@](CSc1nccs1)(CC1CCC1)NC1CC1 2366456541 VYKSDFFFJMXOJI-CQSZACIVSA-N 311.476 2.402 10 10 DECE CO[C@@H]1CN(Cc2cccc(Cl)c2O)[C@@H](CF)[C@H]1OC 2366493925 LPBXAXJJNRWFQC-OUCADQQQSA-N 303.761 2.229 10 10 DECE CO[C@@H](C)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 191422332 WEQQRYNAONIMCD-NSHDSACASA-N 323.348 2.227 10 10 DECE N[C@@H](c1c(Cl)ccc(Br)c1O)C(F)(F)CO 95715983 AFEVOIGCFHDNMA-QMMMGPOBSA-N 316.529 2.436 10 10 DECE CC[C@H](COC)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255236467 GYSKGQXRCLTECY-CXOKCQFOSA-N 318.417 2.078 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@H](C)c2c(C)cc(C)cc2O)C1 294630139 FTYNGDOIRJQPOT-ZIAGYGMSSA-N 305.422 2.463 10 10 DECE O=C(c1cccc(O)c1O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O 388709903 XXMOOBIBNAHUFT-YUTCNCBUSA-N 305.374 2.254 10 10 DECE Oc1cc(F)c(Cl)cc1CNC[C@@H](O)C1CCOCC1 293538321 FRINAHTYDKWMHU-CQSZACIVSA-N 303.761 2.062 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C(=O)O)CO1 2165806637 ZPWVRWGWODVENK-WRWORJQWSA-N 320.172 2.373 10 10 DECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2C[C@@H]2C1 823295455 JFFJXQRHRRWWCX-ZSHCYNCHSA-N 300.402 2.186 10 10 DECE Cc1nc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)s1 832267561 VPTAADHTOHTSDZ-AWEZNQCLSA-N 318.446 2.256 10 10 DECE c1cc(N2CCCC2)ccc1CN[C@H]1CCO[C@@]12CCOC2 903067899 XXZVFNQZXRYDPR-ZWKOTPCHSA-N 302.418 2.324 10 10 DECE C[C@H]1CN([C@H](C)CNCc2ccc(N(C)C)cc2)C[C@@H](C)O1 848563575 VICTWZWMRRQGFV-OAGGEKHMSA-N 305.466 2.340 10 10 DECE Cc1cc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c(Cl)c1 840938406 DIMVOGOFKYBCHM-GFCCVEGCSA-N 323.824 2.390 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@@]2(CCOC2)C1 840937807 YAJVYRQUTHQUJP-WMZOPIPTSA-N 304.434 2.489 10 10 DECE CCOc1ccc(O)c(CNC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 848563176 QNNLZTSOHBUFLS-KFWWJZLASA-N 322.449 2.378 10 10 DECE CCOC(=O)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 840555506 IBVZMTYHSVADSY-CYBMUJFWSA-N 306.406 2.061 10 10 DECE CCN1CC[C@H]2OCCN(Cc3ccc(N(C)C)cc3C)[C@H]2C1 840949176 PSJDCTDDBAZJSC-RBUKOAKNSA-N 317.477 2.356 10 10 DECE Cn1c2c(ccc1=O)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 846310648 OVYZUIPIDIZHSO-CQSZACIVSA-N 312.373 2.167 10 10 DECE CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccn(C)n1 756450898 VFKLCPROFAWADP-QGZVFWFLSA-N 314.433 2.498 10 10 DECE COc1cccc(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1O 850352710 FYWHMJKOPHKEKD-CQSZACIVSA-N 312.369 2.078 10 10 DECE CCN(CC)CCSCC(=O)NCc1c(O)cccc1F 928706110 QMFOQZQLYARXHR-UHFFFAOYSA-N 314.426 2.223 10 10 DECE CCOCc1cc(CNC[C@@H](OC)[C@H]2CCOC2)ccc1OC 850344819 XNXHOKTWXQMQMJ-MAUKXSAKSA-N 323.433 2.373 10 10 DECE CN[C@@H](c1ccccc1O)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 1899590606 OCFQDNXBGIZGHG-DFBGVHRSSA-N 324.421 2.317 10 10 DECE CCc1nn(C)cc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 850346521 GSDGNIZLVPAPSH-HNNXBMFYSA-N 314.433 2.360 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](OC)CC[C@@H]2C)c1O 895927078 LVJSQGABOUWFLF-CMPLNLGQSA-N 310.350 2.308 10 10 DECE O=C1N(CCNCc2cc(Cl)ccc2O)C[C@@H]2CCCCN12 895344725 WLMDRTSVUPRLKT-AWEZNQCLSA-N 323.824 2.425 10 10 DECE CCN(CC)c1ccc(CN[C@H](C)c2nnc(O)n2C)cc1F 895179328 GWLLJGRZQALIGP-LLVKDONJSA-N 321.400 2.357 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(Cl)c1 688549544 OISYWCQBSGOMCC-QWRGUYRKSA-N 318.870 2.490 10 10 DECE O=C(NC1(c2ncon2)CC1)c1cc2cc(O)c(O)cc2s1 1157194076 XAWALLWRPVRNSG-UHFFFAOYSA-N 317.326 2.115 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1[C@@H]1CCCO1 1305523243 DIYZRKIVUKBXOL-BBRMVZONSA-N 305.374 2.200 10 10 DECE CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)CCC1 1325034268 QQKDBYDVKVSHPD-UHFFFAOYSA-N 318.417 2.437 10 10 DECE CC1=CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1448767401 KETZULGOXWREJR-UHFFFAOYSA-N 315.377 2.231 10 10 DECE CN(C[C@](C)(O)[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1920256081 RBDHXZOEBXFTOP-CJNGLKHVSA-N 310.394 2.010 10 10 DECE CN(C)c1ccc(CNC(=O)c2cncc3nc[nH]c23)cc1F 1544308790 RPIABTRRAQHAKN-UHFFFAOYSA-N 313.336 2.093 10 10 DECE CCOCCC1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1630954984 XESLXLRRWVYRJU-UHFFFAOYSA-N 307.390 2.353 10 10 DECE CN(C)c1ncc(C(=O)NCc2cccc(O)c2O)cc1Cl 1637045902 MQJNNASAWIARBW-UHFFFAOYSA-N 321.764 2.142 10 10 DECE CN(C)Cc1ccsc1C(=O)NCc1c(O)cccc1O 1635847114 HTSZAWOJZBLXQE-UHFFFAOYSA-N 306.387 2.151 10 10 DECE COc1ccc(CNC2(CNC(=O)c3cc[nH]c3)CC2)cc1C 1733244477 QYWRZEMNUQXIER-UHFFFAOYSA-N 313.401 2.384 10 10 DECE Cn1cc(Cl)c(C(=O)NCc2cccc(Cl)c2O)n1 1647830472 YAMOBLCFKTUTID-UHFFFAOYSA-N 300.145 2.363 10 10 DECE O=C(c1cn(Cc2ccccc2)nn1)N1Cc2cccc(O)c2C1 1587928083 JFUSQUAIDXQLPP-UHFFFAOYSA-N 320.352 2.188 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1O 2141084320 IYXRILJBCPQKIR-WCQYABFASA-N 303.811 2.101 10 10 DECE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ccc(N)cc1 1977896232 KLUMSBMHWBUVCA-GXFFZTMASA-N 315.339 2.300 10 10 DECE Cc1cccc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)c1O 1994451498 LZQLFVBOCUILAJ-UHFFFAOYSA-N 320.389 2.184 10 10 DECE CS[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1O 2026387048 ZGBGEDQSHWKSEQ-CMPLNLGQSA-N 318.236 2.375 10 10 DECE COCCN(CCF)c1ccc(CO)cc1Br 700410684 ZZXFZQQGVXWGBB-UHFFFAOYSA-N 306.175 2.364 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc(CO)c1 2157749548 DOHUVZDLXFHOSE-UHFFFAOYSA-N 313.762 2.339 10 10 DECE C[C@]12CNC[C@H]1CN(Cc1cc(Br)ccc1O)C2 703566282 YBXRLVPYAMVVFM-SMDDNHRTSA-N 311.223 2.196 10 10 DECE CNCc1ccc(N2C[C@H]3COC[C@@H]3C2)c(Br)c1 718232973 ANWWSGCZYLQAIB-RYUDHWBXSA-N 311.223 2.251 10 10 DECE CC[C@H](C(=O)NCc1ccc(O)cc1O)C1(O)CCCCC1 2063146426 BQOWPNSBPVSXHR-CQSZACIVSA-N 307.390 2.435 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]32)c(Br)c1 2057961669 VCJZJEPHTUZBRF-BQAVTBIBSA-N 312.207 2.462 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Br)n1 2087725527 WJIXMHFCJAKYBE-UHFFFAOYSA-N 323.146 2.437 10 10 DECE Cc1ncnc(NC(=O)c2cccc(O)c2O)c1Br 2230076444 RNYHOHNYGUONMF-UHFFFAOYSA-N 324.134 2.211 10 10 DECE C[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2293039683 ZUHLOKNILGGVCY-ZETCQYMHSA-N 309.368 2.067 10 10 DECE CN(C(=O)C=Cc1cnn(-c2ccccc2)c1)c1cnn(C)c1 2297663064 SKUSAMRAXJNGJZ-UHFFFAOYSA-N 307.357 2.282 10 10 DECE Cc1ccc(CN2CC[C@H]2[C@H](C)O)c(O)c1Br 2307438642 GODHASRFCKYLKN-ONGXEEELSA-N 300.196 2.418 10 10 DECE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3N)c(OC)c1Br 2308905932 QYLYLNRVZBVJRG-QOSJWCAFSA-N 313.195 2.002 10 10 DECE C[C@]1(N)CN(Cc2c(O)cccc2Br)CC1(F)F 2315167077 SNRISZPCRUZBCU-NSHDSACASA-N 321.165 2.323 10 10 DECE CSc1ncc(CNC(=O)c2cc(N)c(Cl)cn2)s1 2336320859 WVUZBMLDNUVTPR-UHFFFAOYSA-N 314.823 2.426 10 10 DECE COCCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 178828398 HVJCLAFXZYPAPU-UHFFFAOYSA-N 318.417 2.161 10 10 DECE CC(=O)NC[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 67382668 WKTFOAYLQLOIQD-AWEZNQCLSA-N 302.418 2.229 10 10 DECE CO[C@H](C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C 188825986 JEQLMJOIHULKMW-QWHCGFSZSA-N 305.422 2.292 10 10 DECE C[C@@H](O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 188734426 XJNZGGLRUSZTFZ-CQSZACIVSA-N 300.402 2.044 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)Cc1ccccc1Cl 35366630 YYWKACSDAXTSHX-UHFFFAOYSA-N 303.793 2.410 10 10 DECE COc1cc(Cl)cc(CN2CC(F)(F)[C@](C)(N)C2)c1O 2361907499 FXFMTCWPQCGLTP-GFCCVEGCSA-N 306.740 2.223 10 10 DECE CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)c1O 120714608 OLGATDQDDXFZKE-GDBMZVCRSA-N 322.449 2.068 10 10 DECE Cc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1C 186435659 DUYVJYUAVIXMMG-VIFPVBQESA-N 315.373 2.174 10 10 DECE COC[C@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 73835428 XOILOQKSNAIDKU-GPAKFWEMSA-N 305.374 2.115 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C[C@@H]1C[C@@H]1N 1952398545 AYZZWGUNWLUKAA-UPJWGTAASA-N 322.405 2.271 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCN(C(C)=O)C[C@H]2C)c1O 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CCCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1cccnc1 750117289 AQNGBHRMNSUJLB-VOTSOKGWSA-N 324.384 2.293 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2coc(OC)n2)cc1 858604847 KTXLSAORCCYDOM-UHFFFAOYSA-N 303.362 2.459 10 10 DECE O=S(=O)(Nc1cccc(O)c1)c1cc(F)cc(F)c1O 753015811 GFLCYCPYACFDAV-UHFFFAOYSA-N 301.270 2.177 10 10 DECE Cc1cncc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)c1 868319972 QYLOGDHYELBCBW-MRXNPFEDSA-N 324.384 2.274 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2ccnn2C)c1 866612846 CEBWLVIRYAGKJC-QWRGUYRKSA-N 303.362 2.324 10 10 DECE C[C@H](NC(=O)NCCOc1cccnc1)c1ccccc1O 868255293 UHDPPLUJQDNVHK-LBPRGKRZSA-N 301.346 2.226 10 10 DECE CCOc1ccc(N2CCN(CCc3nnc(C)o3)CC2)cc1 1119765603 XJEWXUPIVAZZPX-UHFFFAOYSA-N 316.405 2.141 10 10 DECE CCC1(CC)CN(Cc2cccc(C)c2O)CCS1(=O)=O 779224482 DTOOXZRLOANCTH-UHFFFAOYSA-N 311.447 2.490 10 10 DECE COC[C@@H](C)CNCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894207974 BXHFPNKZXLIVRF-NSHDSACASA-N 322.380 2.476 10 10 DECE C[C@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccc(N(C)C)cc1 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COC(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1F 1586770734 DJXKIMOKDJRVLV-UHFFFAOYSA-N 305.261 2.276 10 10 DECE C[S@](=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 161242579 QMHDPVKXNZBOED-OPAMFIHVSA-N 316.426 2.047 10 10 DECE CCc1ccc(-n2nnnc2Cc2ccc(N)cc2)cc1[N+](=O)[O-] 1857926908 IFZQMTABENYVEB-UHFFFAOYSA-N 324.344 2.306 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 2143667929 MALKGYJTHMPUPU-MNOVXSKESA-N 316.854 2.231 10 10 DECE Cc1nc(=NCCc2ccc(O)c(O)c2)[nH]cc1Br 1963886657 YEORZOYMNGMGRA-UHFFFAOYSA-N 324.178 2.035 10 10 DECE COc1ccc(Br)c(CN[C@@H](C)[C@H](C)CO)c1O 1964567444 VUMZZAFAKQWPLE-BDAKNGLRSA-N 318.211 2.270 10 10 DECE Cc1cc(Br)sc1[C@H](NCCN=[N+]=[N-])C(N)=O 1950817436 MEOADEAHGYHJKY-ZETCQYMHSA-N 318.200 2.245 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@H]2C[C@H]1C[C@@H]2O 1967768143 VGOROTJCMQMVPI-LFSVMHDDSA-N 312.207 2.404 10 10 DECE Cc1cccc(O)c1CNN1CCN(C(=O)OC(C)(C)C)CC1 1976877409 OOPVTGQAIPGJBU-UHFFFAOYSA-N 321.421 2.258 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1985093534 AVDORBYCBPFERN-ZUZCIYMTSA-N 323.397 2.401 10 10 DECE CN(CCN=[N+]=[N-])C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 1985100781 IQZOYQRBGVNVNF-UHFFFAOYSA-N 323.397 2.402 10 10 DECE Oc1c(F)cc(Br)cc1CNO[C@@H]1CCOC1 2017842861 QPWJIXSZRIGCJR-SECBINFHSA-N 306.131 2.104 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@@H]2NCC[C@H]21 2027167095 LEZOHCLXRPVBIG-QWHCGFSZSA-N 311.223 2.481 10 10 DECE COc1cc(Cl)cc(CN2CCN(CCF)CC2)c1O 402904782 WNFVOVRCKXWQIU-UHFFFAOYSA-N 302.777 2.141 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@H]43)c(Br)cc21 706987635 YXFSWSBRFMEWES-CQOUMUIBSA-N 322.206 2.260 10 10 DECE CN(C[C@]1(C)CC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 689258039 AYIODNNNLYISRU-LBPRGKRZSA-N 304.362 2.076 10 10 DECE Cn1ccnc1CCNCc1ccc(Br)cc1O 691466073 WGIYGCYCWLFZEE-UHFFFAOYSA-N 310.195 2.221 10 10 DECE Oc1ccc(F)cc1Cn1nccc1I 2069915045 YFRUJWBTHUPHGU-UHFFFAOYSA-N 318.089 2.381 10 10 DECE NCc1cc(F)c(N2C[C@@H](O)C23CCC3)cc1Br 2081651668 BFVUTPWGLBPCNK-GFCCVEGCSA-N 315.186 2.151 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ncncc1Br 2218745090 OSJUBDPUYFDEIF-HTQZYQBOSA-N 311.143 2.200 10 10 DECE COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])s1 2225800582 PTALHBDHKPUZEF-YUMQZZPRSA-N 302.381 2.266 10 10 DECE CSc1ncc(CNC(=O)[C@@H](C(=O)O)C(C)(C)C)s1 2269138018 MTGSYQOXMVFTNP-QMMMGPOBSA-N 302.421 2.228 10 10 DECE C[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)c1nccs1 2308715633 BHWAFTVSINOWKS-JTQLQIEISA-N 304.371 2.487 10 10 DECE Oc1cc2c(cc1O)CN(c1ncc(Br)cn1)CC2 2341191374 AQPLLQGMDYXSCT-UHFFFAOYSA-N 322.162 2.213 10 10 DECE CCOC(=O)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1O 175504161 KQFGFJGZNPMFIN-ZDUSSCGKSA-N 308.334 2.218 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1c(O)cnc2ccccc12 122910361 PYHCBGXRVKQESB-UHFFFAOYSA-N 324.336 2.324 10 10 DECE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N)cc1 36283781 HVNMINXYPHPHJP-UHFFFAOYSA-N 307.331 2.286 10 10 DECE Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)c(O)c1O 181809367 PMVARTAPTCLXJF-OAHLLOKOSA-N 314.385 2.439 10 10 DECE NC(=O)CSc1ccccc1NCc1cccc(O)c1O 41117292 XDVSCWOZCGSBRR-UHFFFAOYSA-N 304.371 2.287 10 10 DECE COc1ccc(N2CCCCC2)cc1NC(=O)CCNC(C)=O 41317675 AVJXFYKSKASBLE-UHFFFAOYSA-N 319.405 2.150 10 10 DECE CCCNCc1ccc(OC)c(C[S@](=O)CCCOC)c1 81998189 OKPLQRZVHZWHKL-NRFANRHFSA-N 313.463 2.480 10 10 DECE CN(CCCC(=O)O)Cc1cc(Br)ccc1O 234289532 POVFWIOJSDWCEZ-UHFFFAOYSA-N 302.168 2.451 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 2164678043 PCFLSGDLFJOXOY-KXUCPTDWSA-N 308.354 2.382 10 10 DECE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H]1CN(C)CCO1 835042860 LCADAYOUIPZSOF-HLJKATFASA-N 303.450 2.075 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H](C[C@H]2CCCO2)C(=O)O)cc1 904029115 BQSOBQJJILYWRO-QZJSNOFBSA-N 318.417 2.378 10 10 DECE C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C 914180840 XWLNGXIKJAKKJF-YOEHRIQHSA-N 316.449 2.179 10 10 DECE CC1CCC(N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1 846231254 DYHVQOQXKCWPQH-UHFFFAOYSA-N 318.377 2.144 10 10 DECE COC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccco1 921178680 OVQWPRCZKJXBTJ-LBPRGKRZSA-N 308.309 2.311 10 10 DECE Cc1cc(CC(=O)O[C@H](C)C(N)=O)c(C)n1-c1ccccc1 853102309 AUOXLDMAGBRJER-CYBMUJFWSA-N 300.358 2.054 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CCCCO3)C2)cc1 854298285 ZPINREOBWKQEKG-ZDUSSCGKSA-N 305.378 2.011 10 10 DECE C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1 861556658 DQEDDLZUQPNYAA-HOCLYGCPSA-N 316.449 2.227 10 10 DECE O=S(=O)(CCc1ccccc1)N1Cc2cccc(O)c2C1 867690413 SSAWVSFTVWIXEH-UHFFFAOYSA-N 303.383 2.280 10 10 DECE C[C@H](c1ccc(F)cc1O)N(C)CC(C)(C)S(C)(=O)=O 713911553 KUSGHXKDPUKIHN-SNVBAGLBSA-N 303.399 2.347 10 10 DECE CCO[C@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1317053043 DMFBOFIPVOPAEP-ZBFHGGJFSA-N 320.433 2.119 10 10 DECE CC(=O)C(=O)COC(=O)C1(c2cc(F)cc(F)c2)CCCC1 1329371966 JCZMFWCAHFTHJO-UHFFFAOYSA-N 310.296 2.478 10 10 DECE Oc1cccc(Br)c1CN[C@H]1C[C@@H](n2cncn2)C1 2127678252 VLZJPQYYXFKXOD-AOOOYVTPSA-N 323.194 2.240 10 10 DECE Cc1nonc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440714746 NJOVHZLCRPOQNJ-UHFFFAOYSA-N 300.362 2.250 10 10 DECE 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C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)CCS1(=O)=O 294713654 OYRFNDROLOULPR-SECBINFHSA-N 321.801 2.194 10 10 DECE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](C(F)F)C3)cc2N1 811843070 MKPSUPQZXHVGDG-SSDOTTSWSA-N 313.260 2.017 10 10 DECE C[C@@H](NCC1CNC1)c1ccc(N2CCOCC2)cc1Cl 817964683 DRUIHCQGICQYNR-GFCCVEGCSA-N 309.841 2.047 10 10 DECE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)C1CCC1 832713567 OQPTVTTZSUPLET-LBPRGKRZSA-N 304.173 2.476 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2COCC2(C)C)c1 836638998 KZYVOMDJHRHCKG-YGRLFVJLSA-N 308.378 2.186 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@]12CCCN(CC1)C2 911263309 XZMZBZWHCAVTSG-SFHVURJKSA-N 311.385 2.043 10 10 DECE CC(C)(CNCc1c(O)ccc(Cl)c1F)[C@]1(O)CCOC1 842757775 BRDAJHFZJPNSNA-HNNXBMFYSA-N 317.788 2.452 10 10 DECE Oc1cc2c(cc1CN1CCC[C@@H]1CN1CCOCC1)CCC2 743373000 IJPGRGIPVCIKTJ-GOSISDBHSA-N 316.445 2.178 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NCc1ccc(O)c(O)c1 1896418977 RZNYCNMCFZSWJX-STQMWFEESA-N 322.405 2.491 10 10 DECE Oc1cc2c(cc1CN1CCc3cc(Cl)nnc3C1)OCO2 842616742 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2.130 10 10 DECE COc1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)CCO2 1298282363 ZYOILXJVLNSPLC-UHFFFAOYSA-N 315.325 2.141 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC1([C@H]2CCCO2)CCC1 1520953513 JCIHTWIXJOJFSS-KEDPEKRHSA-N 303.358 2.329 10 10 DECE Cn1c(Cl)cnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1468419042 AKCREFLBISVDGB-UHFFFAOYSA-N 320.740 2.166 10 10 DECE CC[C@@H](CO)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1468660343 UWMQRKLCJNVSBZ-LBPRGKRZSA-N 310.357 2.353 10 10 DECE Cn1ncc2c1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 1641122575 JEPMBJVSRKZNIJ-UHFFFAOYSA-N 315.354 2.202 10 10 DECE COc1cccc(OC)c1NC(=O)c1cc(O)c(O)c(O)c1 1865876606 VXZJQTVENGSQKT-UHFFFAOYSA-N 305.286 2.073 10 10 DECE CN(CC(C)(C)CO)c1ccc(CN)cc1Br 1945723225 UASZYMLEJAYGAJ-UHFFFAOYSA-N 301.228 2.363 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2ccc(N)cc2)C1 1992463342 LFNHJNAHMIXOIO-AWEZNQCLSA-N 321.421 2.199 10 10 DECE CCCNCc1ccc(N2CCS(=O)CC2)c(Cl)c1 163999352 HNVRSSKWUOBYOZ-UHFFFAOYSA-N 300.855 2.408 10 10 DECE CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 44353651 VTTPPIQESHAXCK-UHFFFAOYSA-N 310.341 2.373 10 10 DECE CS[C@@H]1COC[C@H]1NCc1c(O)cccc1Br 2026385546 NKEILHHMVXLAIV-ZYHUDNBSSA-N 318.236 2.375 10 10 DECE OCc1ccc(N2CC(n3cccn3)C2)cc1Br 707610084 XJIXWDGISBDCAP-UHFFFAOYSA-N 308.179 2.199 10 10 DECE COc1cccc(O)c1CN[C@@H]1CON(C(=O)OC(C)(C)C)C1 922861976 ZTKZPWPAHMYMPT-NSHDSACASA-N 324.377 2.041 10 10 DECE Cc1cccc(Cn2nc(C(=O)O)c(N)c2C(F)(F)F)c1O 2079141260 AWMRPWKHZFCHOC-UHFFFAOYSA-N 315.251 2.245 10 10 DECE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(N)c1CO 2079979272 NEJMYZZDSRAPGR-CQSZACIVSA-N 305.378 2.234 10 10 DECE Nc1ccc(CC(=O)N[C@H]2CS[C@H](C(F)(F)F)C2)cc1 2189232039 AKQIOYKIGJCDRJ-MNOVXSKESA-N 304.337 2.364 10 10 DECE Nc1ccc(CCN=c2[nH]c(F)ncc2Br)cc1 2044029507 MPLIYPAWYICMSV-UHFFFAOYSA-N 311.158 2.037 10 10 DECE COc1ccc(N(C)[C@H]2CCNC2)c(OC)c1Br 2044261307 WUGWVTXQFWXBHJ-VIFPVBQESA-N 315.211 2.264 10 10 DECE C[C@H]1CN(c2ccc(CN)cc2Br)CC[C@H]1CO 2046690833 RLCNOUWEPRAFEL-JQWIXIFHSA-N 313.239 2.363 10 10 DECE OCc1ccc(N2CCOC[C@@H]2C(F)F)c(Br)c1 2055448998 QWVYKPKLJWOGOT-LLVKDONJSA-N 322.149 2.412 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H](C3)[C@@H]2CO)cc1Br 2058374100 OJSONMAVIUIXJY-CHIMOYNISA-N 311.223 2.257 10 10 DECE CC(C)(C)OC(=O)N[C@]12CO[C@]([C@H](N)c3ccccc3O)(C1)C2 2243103986 JLUQSTSQWPGEEI-KBRIMQKVSA-N 320.389 2.218 10 10 DECE CC(C)C[C@H](NCc1cccc(Br)c1O)C(N)=O 2253487522 VMGKYKFLLPQECY-NSHDSACASA-N 315.211 2.144 10 10 DECE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S 2293031262 ZUVZZNBYZGLVRK-LLVKDONJSA-N 322.411 2.392 10 10 DECE O=C1N=C(O)/C(=C/c2ccc(N3CCC(Cl)=N3)cc2)C(=O)N1 59862404 VUCAJQDAGZYZNV-UHFFFAOYSA-N 318.720 2.039 10 10 DECE COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 195140371 DTLOWRHKEUDAOM-MRXNPFEDSA-N 312.369 2.232 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CSC(=O)N1 266199263 YMYSTTHDSDLYOJ-AWEZNQCLSA-N 321.446 2.315 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O 368962878 FICCDEFMJCYFMU-MRCXROJRSA-N 324.808 2.140 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(CCCOC2)C1 806822170 WAJCKEIAAVWKOF-UHFFFAOYSA-N 317.433 2.383 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CCCNC2)c1 817957629 NGJNYPOGHYLVAO-QWHCGFSZSA-N 306.406 2.219 10 10 DECE CC1(C)CN(C(=O)c2ccoc2CC(N)=O)c2cc(F)ccc21 652767079 BZDKQOFYELBHGV-UHFFFAOYSA-N 316.332 2.385 10 10 DECE Oc1c(Cl)cccc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 824655713 ZKZBQCXUUKINHU-GZBFAFLISA-N 311.809 2.407 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(O)cc1O 721894680 AZNDHQHEMQLHMK-RISCZKNCSA-N 322.405 2.443 10 10 DECE CSC[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 905458985 OWRRWLWXESFDFD-MRVPVSSYSA-N 320.201 2.363 10 10 DECE C[C@]1(CO)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 907375828 ZQVYBTRLPQMLIP-OAHLLOKOSA-N 307.371 2.300 10 10 DECE Cc1cnc(F)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 907273091 KUKYYHLMWYRYBI-SNVBAGLBSA-N 304.321 2.301 10 10 DECE CN(Cc1ccc(N(C)C)cc1)CN1C[C@@H]2CCC[C@H]2C1=O 839952525 HPPJROGZSLAWCY-DOTOQJQBSA-N 301.434 2.400 10 10 DECE CC[C@H](C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC 843938271 CWFWVPYOHYSVHJ-JMXKNUNPSA-N 321.373 2.205 10 10 DECE Oc1cc2c(cc1CN1CC[C@@H](CN3CCOCC3)C1)CCC2 742161387 INHNWUVBGOBQAD-HNNXBMFYSA-N 316.445 2.035 10 10 DECE COc1ccc(N(C)C[C@H]2CN(C3CC3)C(=O)O2)c(OC)c1 844310685 NJJRHYPZMAEARU-ZDUSSCGKSA-N 306.362 2.123 10 10 DECE CO[C@@](C)(CO)CN[C@@H](C)c1cc(Br)ccc1O 848558077 JOZAHFJXEZQQGY-TVQRCGJNSA-N 318.211 2.203 10 10 DECE CCN(C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(OC)c(OC)c1 929897027 HYOFXJANOHDMCO-RVSPLBMKSA-N 307.390 2.334 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)cc1 855228262 YKJROQAUQTXSMF-KFWWJZLASA-N 318.417 2.205 10 10 DECE COc1ccc(N2CC[C@H](N[C@H](C)c3ccn(C)n3)C2)cc1 850487600 OEPHGDDQCRBVTO-KGLIPLIRSA-N 300.406 2.358 10 10 DECE CCc1cnccc1CNC(=O)NCc1c(O)cccc1F 921845206 JWFKGNOMXDLLOX-UHFFFAOYSA-N 303.337 2.488 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H]1C(F)F 931418443 KSVKFMJAKODFAM-CQSZACIVSA-N 311.376 2.050 10 10 DECE c1nnc(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)nn1 1203018089 IGMIJDZCYZFETM-UHFFFAOYSA-N 319.368 2.158 10 10 DECE COc1cccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(O)c(O)c2)c1 1158064602 KYMMKMLJFACAFU-LSDHHAIUSA-N 313.353 2.321 10 10 DECE CC(C)(C)[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1153373485 GUIAZXLNNTVRIM-SWLSCSKDSA-N 307.390 2.350 10 10 DECE C[C@@H]1O[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C 1302414308 VZPZOYFUMJPCPQ-XHSYRHOGSA-N 304.350 2.391 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1nnc2ccccc2n1 1165497173 AGKVOCBBCCSSFO-UHFFFAOYSA-N 314.732 2.314 10 10 DECE CC1(C)CC[C@H](CCNC(=O)Cc2ccc(O)c(O)c2)OC1 1179404204 BHFCFRIHJPOACN-CYBMUJFWSA-N 307.390 2.352 10 10 DECE CN1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]21 1333811259 LCGCPMNDSDQILJ-KOLCDFICSA-N 318.398 2.089 10 10 DECE Cc1nnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)o1 1354604126 ONPUTTXTCKKEME-LBPRGKRZSA-N 302.378 2.065 10 10 DECE CCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C 1458268342 WDUGCBUDCCKCIW-NSHDSACASA-N 309.366 2.142 10 10 DECE CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 1468220364 FYJIIUIAENXKEL-HNNXBMFYSA-N 315.369 2.014 10 10 DECE O=[N+]([O-])c1c(NCc2cc(O)ccc2O)nc2sccn12 1612844309 IPBUDYYGUUTNPU-UHFFFAOYSA-N 306.303 2.327 10 10 DECE COC(=O)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1558918725 HZGSCZRFDATNAM-UHFFFAOYSA-N 319.288 2.205 10 10 DECE CCO[C@H](C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1566782866 MTEHPIHDMOSHOV-FVQBIDKESA-N 320.433 2.165 10 10 DECE CCc1c(C(=O)NCc2cccc(OC)c2O)cnn1CC 1630366037 JEPXLOONSRANLM-UHFFFAOYSA-N 303.362 2.110 10 10 DECE O=C(NCc1ccc(O)c2ncccc12)c1cccc(O)c1O 1640682265 NWTZCZQXMZQGNH-UHFFFAOYSA-N 310.309 2.282 10 10 DECE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cccc([N+](=O)[O-])c1 1651225300 DOAWDJYEGJLGNZ-SNVBAGLBSA-N 316.313 2.426 10 10 DECE CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cc1 13464060 ZRSUAYYZMQBOBD-UHFFFAOYSA-N 321.354 2.454 10 10 DECE CCOC(=O)c1ccc(/N=N/N2CCN(C(C)=O)CC2)cc1 1860481387 WSASMFHRFUPYGD-WUKNDPDISA-N 304.350 2.026 10 10 DECE CN(C(=O)Nc1ccc(N)cc1)C1CCC2(CC1)OCCO2 1876136998 LASUAQQVOQLHND-UHFFFAOYSA-N 305.378 2.418 10 10 DECE OCc1ccc(N2CCOC(F)(F)C2)cc1Br 1946891591 UUWBELYPRXTQMH-UHFFFAOYSA-N 308.122 2.371 10 10 DECE Cc1cccc(O)c1CNCc1ccsc1S(C)(=O)=O 1964604365 FYHDRCHVHMTICD-UHFFFAOYSA-N 311.428 2.455 10 10 DECE CC[C@@H](CNC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977677070 WYLBWXKQUADRKR-AWEZNQCLSA-N 321.421 2.231 10 10 DECE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1Cc1ccc(N)cc1 1977888003 KXAZIAFDUZUEMR-GXFFZTMASA-N 315.339 2.300 10 10 DECE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(Cc1cc(N)ccc1O)C2 1977924007 CCFBYVRDCYADNW-YVEFUNNKSA-N 319.405 2.073 10 10 DECE CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985094230 LWZNEQRLDHAGSJ-NEPJUHHUSA-N 321.381 2.463 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)C1(C)C 1989495537 COYLZZIMHMBOPU-QWRGUYRKSA-N 323.397 2.447 10 10 DECE CC[C@H](CCCN1CCC(CN=[N+]=[N-])CC1)S(=O)(=O)O 2155494096 DQMRZJCLUZJXOV-GFCCVEGCSA-N 304.416 2.455 10 10 DECE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(C)c2C)C1=O 2053496824 MNPBBVQPCGXNPZ-UHFFFAOYSA-N 322.386 2.241 10 10 DECE CCc1nc(C)c(NC(=O)c2cnn3c(O)cc(C)nc23)s1 2064658055 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CCN(CC)c1ccc(CNC(=O)[C@@]23C[C@@H](N)C[C@@H]2C3)cc1 870868300 FOQSXNPQJKEOPS-VKJFTORMSA-N 301.434 2.276 10 10 DECE Oc1ccc(F)cc1CNC[C@@H](O)C(F)(F)C(F)(F)F 895677836 PKOFTZPIXPDHIG-SECBINFHSA-N 303.202 2.179 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3CN(C)C[C@H]3C2)c(Br)c1 707002624 ULYGULLSUHGEON-DRZSPHRISA-N 324.266 2.467 10 10 DECE COC(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1153885899 ROFSBWVRQURZFH-UHFFFAOYSA-N 316.313 2.206 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@]12CCOC2 1349764394 APZHIHWXJKXOHM-UKINESCASA-N 303.358 2.283 10 10 DECE [N-]=[N+]=NCCNS(=O)(=O)Cc1ccccc1Br 1964001635 DOIHCRDMFMNYIF-UHFFFAOYSA-N 319.184 2.179 10 10 DECE CO[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H]1NC(=O)OC(C)(C)C 1975249947 MXJYHQSOIZMESR-RYUDHWBXSA-N 313.402 2.301 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)NCCCN=[N+]=[N-])C[C@H]2C1 1985102505 HYPHNMOPZFRTIP-XHDPSFHLSA-N 323.397 2.450 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCCN=[N+]=[N-] 1985106381 ZFSRUTITNQCISX-WISYIIOYSA-N 323.397 2.352 10 10 DECE C[C@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153849272 QHGOYHCLOLQFPG-ZANVPECISA-N 316.854 2.372 10 10 DECE CCN(C)[C@@H]1CCN(c2ccc(CN)cc2Br)C1 2036458153 VNUREQVMRLPGNE-GFCCVEGCSA-N 312.255 2.438 10 10 DECE C[C@@H](N=c1[nH]n(C)cc1Br)c1c(O)cccc1O 2038253556 RRMDXMUQMUZNIQ-SSDOTTSWSA-N 312.167 2.189 10 10 DECE CN(Cc1cnccn1)c1ccc(CO)cc1Br 699543095 VSDRAWCYHXGMFG-UHFFFAOYSA-N 308.179 2.368 10 10 DECE O=C(Nc1ccc(O)c(O)c1)c1ccnc(N2CCCCC2)n1 2064617749 OWNAQUMUGDEHLB-UHFFFAOYSA-N 314.345 2.130 10 10 DECE CNC(=O)c1cc(C(F)(F)F)n(Cc2cc(F)ccc2O)n1 2079241437 OLMNRUHNIOEPQI-UHFFFAOYSA-N 317.242 2.155 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2057004646 DKSVPKFOLSDIBA-UISBYWKRSA-N 317.202 2.235 10 10 DECE C[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Cl 2206704863 MJVYYIKDRFSDBD-SSDOTTSWSA-N 324.780 2.186 10 10 DECE N[C@@H]1C[C@H]2C[C@H]1CN(Cc1c(O)cccc1Br)C2 2219385678 SITJIYLKDSYNAV-GBIKHYSHSA-N 311.223 2.324 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)cc1Br 2258315797 FHKKTVJQMKMVQV-RZGXBDKHSA-N 311.223 2.286 10 10 DECE CC[C@H](CO)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2323805480 KFBJSEYVUUOVBC-SNVBAGLBSA-N 309.412 2.364 10 10 DECE Cc1nc(Br)c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)n1C 2315663360 OYTUHCRRCYHGPY-SSDOTTSWSA-N 313.159 2.016 10 10 DECE CSc1ncc(CN=c2[nH]c(=N)[nH]c(Cl)c2Cl)s1 2315847021 JSNVACREXBFHIL-UHFFFAOYSA-N 322.246 2.408 10 10 DECE C[C@H](NC(=O)C1=COCCC1)c1ccc(N2CCOCC2)cc1 107463631 JFOIKSCZTUFMEX-AWEZNQCLSA-N 316.401 2.395 10 10 DECE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)cc2)C1=O 103718082 XXWVYYCMGIGOAL-UVTDQMKNSA-N 322.320 2.367 10 10 DECE CCC[C@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305044406 DWUNTCTZLDLIQD-LBPRGKRZSA-N 301.346 2.141 10 10 DECE Cc1cc(=O)[nH]cc1C(=O)NCc1ccc(N2CCCC2)cc1 177602317 RQWMLVIDRCZCRF-UHFFFAOYSA-N 311.385 2.214 10 10 DECE CC1(C)CC(N)CC(C)(C)N1C(=O)Nc1cc(O)c(O)c(O)c1 217278792 LZBXBEPYNSAFPV-UHFFFAOYSA-N 323.393 2.316 10 10 DECE C[C@H](c1cnn(C)c1)N(C)C(=O)NCc1ccc(N(C)C)cc1 181432716 CFJIRVQELYTXJE-CYBMUJFWSA-N 315.421 2.389 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1c1cc(O)ccc1O 1952137023 YEMHIVBALSDDQT-MFKMUULPSA-N 308.378 2.497 10 10 DECE C[C@H]1COCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 194530118 LZNVEQMARNYWBE-GXTWGEPZSA-N 304.390 2.151 10 10 DECE O=C(Nc1ncn(C2CCCCC2)n1)c1cccc(O)c1O 193160575 DSNSLEWIJOOIHE-UHFFFAOYSA-N 302.334 2.447 10 10 DECE CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 90410746 OUVWMFXSNXSBTO-HIFRSBDPSA-N 304.438 2.207 10 10 DECE C[C@@H](Cn1ccnc1)NC(=O)/C=C\c1ccc2c(c1)CCCN2C 96400952 UJUUDEHZNCTEEP-LYASGUKUSA-N 324.428 2.484 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C(C)C)[C@H]2CCOC2)c1O 291327672 UFTCWGSIJCEOEF-LBPRGKRZSA-N 310.350 2.308 10 10 DECE Cc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1N(C)C 815099852 GGZMPQXXOGGDNE-YQQAZPJKSA-N 301.434 2.147 10 10 DECE COCCN1CCC[C@H]1CNCc1cc(Cl)c(F)cc1O 816546517 MNDOOMWOOUKNPS-LBPRGKRZSA-N 316.804 2.385 10 10 DECE O=C(O)[C@@H]1CC[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 712762086 CEICDSMXRCUMIY-APPZFPTMSA-N 319.766 2.041 10 10 DECE O=C([C@@H](O)C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 827557506 OCQSLALDXOUVTD-RDJZCZTQSA-N 319.401 2.061 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CC[C@@]32CN)c1O 903796070 RYRJEPUCPZDXBO-CXAGYDPISA-N 306.381 2.437 10 10 DECE CN(c1ccc(N)cc1)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O 1894712442 IXEOSRNLCAVGMZ-BPLDGKMQSA-N 321.421 2.122 10 10 DECE COc1ccc(O)c(CNC(=O)c2cnn3c2C[C@H](C)CC3)c1 843832196 UQPSUZDRXNUGNU-LLVKDONJSA-N 315.373 2.110 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@H](C2CC2)C1 921993013 UZVBPDBIGJTWRS-IAQYHMDHSA-N 308.353 2.288 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)SC)C2)cc1 852222772 KWXOVNWNPAYNKN-QWHCGFSZSA-N 323.462 2.325 10 10 DECE COCCN1CCC[C@H]1CN[C@H](C)c1cc(F)cc(F)c1O 756531836 BEHOGKPZBCKIQD-YPMHNXCESA-N 314.376 2.432 10 10 DECE C[C@@H](C(=O)NCCCSc1nccs1)c1cncnc1 863874391 RLYRDCJXAKBYJV-SNVBAGLBSA-N 308.432 2.335 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccnnc1 762432369 PVUPIDRBWYOOFJ-UHFFFAOYSA-N 316.324 2.439 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 862821678 XPEXWUXGFVKQLS-SHTZXODSSA-N 311.385 2.088 10 10 DECE c1cc(N2CCN(CC3CC3)CC2)ccc1CNC1CSC1 780877730 HDLHXWOLLUYQSX-UHFFFAOYSA-N 317.502 2.424 10 10 DECE CN1CCC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 896267814 OEBDUVZCNAKGKO-JTQLQIEISA-N 320.414 2.384 10 10 DECE C[C@H](O)c1ccc(N2CC([C@@H](C)O)C2)cc1Br 719897408 PAVKUPONUHHYQR-BDAKNGLRSA-N 300.196 2.319 10 10 DECE C[C@H](N)c1ccc(N2CC(n3cncn3)C2)cc1Br 707659830 GFDUNEFBFMGEJX-VIFPVBQESA-N 322.210 2.122 10 10 DECE Fc1ncccc1CNCc1ccc(N2CCOCC2)cc1 793284869 KSBADZYCLAXUIY-UHFFFAOYSA-N 301.365 2.347 10 10 DECE CCc1nccn1[C@@H](C)CC(=O)NCc1cccc(O)c1O 1352669395 IEHKDWJHLCSRFV-NSHDSACASA-N 303.362 2.124 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN(CCS(=O)(=O)C2CCCC2)C1 1912177652 KLFABRGDCDSABJ-GFCCVEGCSA-N 300.428 2.366 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@](F)(CO)C2)cc1Br 1917136255 OBLLSWSPEMCEDS-RNCFNFMXSA-N 318.186 2.413 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccnc(-n2cccc2)c1 1299579467 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O=C(NCc1ccc(O)cc1O)c1ccc(Br)nc1 1557084528 CWXFSXGLAKZJSZ-UHFFFAOYSA-N 323.146 2.185 10 10 DECE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 1567354137 SCGNIOJSJNQJDH-UHFFFAOYSA-N 317.393 2.311 10 10 DECE Nc1ccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1 160344740 TVCORRHSGPNFFL-UHFFFAOYSA-N 306.325 2.276 10 10 DECE C[C@H](N[C@@H]1CC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1O 2145410781 GHOSQWTUDVUMGA-MVWJERBFSA-N 301.383 2.148 10 10 DECE Oc1cc(Br)ccc1CN1CCOC[C@H]1CF 1971804593 JXYCKRVUHUKOFX-LLVKDONJSA-N 304.159 2.325 10 10 DECE C[C@H](C=CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C 1984935603 BZTCQLAYBGTCSP-GFCCVEGCSA-N 320.389 2.478 10 10 DECE CN(CCN=[N+]=[N-])C(=O)C1[C@@H]2CC(NC(=O)OC(C)(C)C)C[C@@H]12 1985095052 YEXRZSXWUXTENT-BFUDSRACSA-N 323.397 2.304 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C(N(C)C)[C@@H]3C2)c(Br)c1 384973515 YGGDARVDWQDXAQ-YUSALJHKSA-N 324.266 2.465 10 10 DECE C[C@H]1[C@@H](CO)CCN1c1cc(Br)c(CN)cc1F 385608716 DYLLYHVZSGDZNA-DTWKUNHWSA-N 317.202 2.254 10 10 DECE 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1466952210 SWKDHBGDGQITQJ-UHFFFAOYSA-N 301.342 2.388 10 10 DECE O=C(NCc1ccc(O)c(O)c1)C(F)(F)C1(O)CCCCC1 1622664434 ULCXZGFSAOHMFG-UHFFFAOYSA-N 315.316 2.045 10 10 DECE CCN1CC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 1638305976 SAYPRSBXQYERPE-NSHDSACASA-N 303.189 2.409 10 10 DECE COc1ccncc1CNC(=O)NCc1cccc(Cl)c1O 1635595556 LQDVDHVZHQYPNT-UHFFFAOYSA-N 321.764 2.449 10 10 DECE C[C@H](NCC(=O)NOCc1ccccc1)c1ccccc1O 1644183764 RNNZVMLNVCWJMV-ZDUSSCGKSA-N 300.358 2.291 10 10 DECE CC(=O)c1cc(C(=O)NCc2c(O)cccc2O)c(C)nc1C 1652626615 ZZVUHJVZTLSVHM-UHFFFAOYSA-N 314.341 2.242 10 10 DECE Nc1ccc(Oc2ncc(I)cn2)cc1 126224207 DUZAIFNTSRJVPB-UHFFFAOYSA-N 313.098 2.456 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1[C@@H](N)c1ccccc1O 1936985733 YTVPSGRKMXWIKJ-TUKIKUTGSA-N 322.405 2.322 10 10 DECE CC(=O)C(=O)[C@H](O)c1ccc(Br)c(Cl)c1F 1939342013 NPNKPKNPLLXCIL-SNVBAGLBSA-N 309.518 2.433 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)CCNC(=O)OCc1ccccc1 1887716722 BQLVJSMLUDWXHJ-UHFFFAOYSA-N 319.365 2.462 10 10 DECE CN[C@@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)COC1 1981661114 OTMOBHACEXWSOP-AWEZNQCLSA-N 322.405 2.289 10 10 DECE Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986130444 PAFQENWVGUSTGQ-KGLIPLIRSA-N 321.421 2.359 10 10 DECE CSCC[C@@H](NC(=O)c1ccc(CSC)cc1)C(=O)O 36965808 HVXZMFTVUXIILK-GFCCVEGCSA-N 313.444 2.486 10 10 DECE OCc1ccc(N2CCOC[C@H]2CF)cc1Br 2011446578 FBPCKCUCKHQSSP-LLVKDONJSA-N 304.159 2.116 10 10 DECE CN(Cc1c(Br)cnn1C)c1ccc(CO)cc1 2038822813 LUKANCCIBYAHIS-UHFFFAOYSA-N 310.195 2.311 10 10 DECE N[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1C(F)F 2040873164 AGTCELTYSQRHMW-WPRPVWTQSA-N 321.165 2.179 10 10 DECE OCc1ccc(N2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 2171552240 ANBVYPRBZSEVFA-CYBMUJFWSA-N 312.866 2.460 10 10 DECE C[C@H](O)CN(c1cc(Br)c(CN)cc1F)C1CC1 691432146 FWOVTCYAYWLCCK-QMMMGPOBSA-N 317.202 2.397 10 10 DECE CCCS[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382987704 XVKHLYUNXKJHQA-AWEZNQCLSA-N 314.476 2.316 10 10 DECE CN1[C@H]2CC[C@@H]1CN(Cc1c(O)cccc1Br)C2 723685382 AGVOFGXCBNBZPO-PHIMTYICSA-N 311.223 2.433 10 10 DECE C[C@H](C[S@@](C)=O)N(C)c1ccc(CN)c(Br)c1 399229940 GIJJTEGVWXHMAN-VVVCHXIZSA-N 319.268 2.111 10 10 DECE CCN([C@@H](C)c1cc(F)ccc1O)[C@H](C)CS(C)(=O)=O 2170424572 JWMOWRQRWGIXPZ-MNOVXSKESA-N 303.399 2.347 10 10 DECE C[C@H](O)c1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2056994544 OGBSGZLPULZYBN-XRNSZHNASA-N 318.186 2.269 10 10 DECE CO[C@@H]1COC[C@H]1N(C)Cc1cc(Br)ccc1O 2057170425 WSRHEGNLZZGHJK-DGCLKSJQSA-N 316.195 2.000 10 10 DECE NCc1ccc(N2CC[C@H]3COC[C@@H]32)c(F)c1Br 2077842383 XBRFLSABDAZSSM-ONGXEEELSA-N 315.186 2.272 10 10 DECE Cc1c(C(=O)N(C)c2ccc(N)cc2)nn(C)c1Br 2111939338 NEQOHSJRCJZFKT-UHFFFAOYSA-N 323.194 2.350 10 10 DECE COc1ccc(Br)c(CN[C@@H]2[C@@H]3CCO[C@H]32)c1O 2220464660 RSFRKRNWLZBWQR-HOCOFYGGSA-N 314.179 2.040 10 10 DECE CC(F)(F)CCS(=O)(=O)CCCOc1ccc(N)cc1 2283719894 IXBUABVUFGHSOO-UHFFFAOYSA-N 307.362 2.498 10 10 DECE Cc1c(C=CC(=O)N2CCN(C)c3ccc(F)cc32)cnn1C 2304178164 LYSDCDBWTCBMMI-UHFFFAOYSA-N 314.364 2.364 10 10 DECE COC(=O)c1ccccc1N(C)C(=O)C=Cc1cnn(C)c1C 2304247319 FLKMGNDZILHQHV-UHFFFAOYSA-N 313.357 2.191 10 10 DECE CCOC(=O)CCN1C(=O)C(=Cc2ccccn2)SC1=S 2314740256 DUPGTCCPFBBVHM-UHFFFAOYSA-N 322.411 2.236 10 10 DECE Cn1nc(Br)c(NCc2cc(F)cc(F)c2O)n1 2320065790 SOSHVXBFXMZRAT-UHFFFAOYSA-N 319.109 2.174 10 10 DECE CCn1[nH]c(Br)nc1=N[C@H](C)c1ccccc1O 2328401729 HWXAPBWWUKCBRD-MRVPVSSYSA-N 311.183 2.361 10 10 DECE C[C@H](Sc1nnc(N(C)C)s1)C(=O)Nc1ccc(N)cc1 111315271 PJKWWGHATWAWSC-QMMMGPOBSA-N 323.447 2.306 10 10 DECE C[C@@H]1CN(C2CCN(Cc3cc(F)ccc3O)CC2)CCO1 179945100 ZAXOLAIJLXULLL-CYBMUJFWSA-N 308.397 2.216 10 10 DECE C[C@H](NCCNC(=O)c1ccccc1O)c1ccc(F)cc1O 185301423 TWCUQETYAKNDQL-NSHDSACASA-N 318.348 2.318 10 10 DECE CNS(=O)(=O)c1cc(NCc2ccccc2O)ccc1C 37057974 XGSIWYDFZRKSAF-UHFFFAOYSA-N 306.387 2.221 10 10 DECE Oc1ccc(Br)cc1CNC[C@H](O)C(F)(F)F 227439455 IZGZVTOLXUMVGH-VIFPVBQESA-N 314.101 2.168 10 10 DECE COc1cc(Br)cc([C@H](N)CCCC(=O)O)c1O 1952139044 GEYMNEACOCBASN-SECBINFHSA-N 318.167 2.418 10 10 DECE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1cccc(C(F)(F)F)c1 90258138 DYFXCQVODIYDJR-LLVKDONJSA-N 301.272 2.306 10 10 DECE COc1ccc(N2CC[C@H](N)C2)c(OC)c1Br 234938840 SVSNWPBQPBBBMF-QMMMGPOBSA-N 301.184 2.004 10 10 DECE O=C(NCc1ccccc1O)[C@H]1CCCN1CC(F)(F)F 812489702 ASODWYOEFOAUNB-LLVKDONJSA-N 302.296 2.035 10 10 DECE Cc1ccc(C)n1-c1cc(I)n(C)n1 710674855 GHUYENGKCLPYEX-UHFFFAOYSA-N 301.131 2.432 10 10 DECE CC(C)[C@@](C)(CO)NC(=O)c1cc2cc(O)c(O)cc2s1 908286203 KTYXQGCHLCNDNZ-OAHLLOKOSA-N 309.387 2.449 10 10 DECE COC1([C@@H](NC/C=C\c2ccc(N(C)C)cc2)C(=O)O)CCC1 904048804 BYRFJDUZBWORAJ-LEXSJLIMSA-N 318.417 2.378 10 10 DECE O=C(COC(=O)c1cc(O)cs1)c1ccc2c(c1)OCO2 731911281 IXXGOPUDJPTCPT-UHFFFAOYSA-N 306.295 2.222 10 10 DECE Oc1ccc(I)cc1[C@@H]1NCC[C@@H]1F 1952824292 ANXSMKZYSQECRD-WPRPVWTQSA-N 307.106 2.369 10 10 DECE Cc1cc(O)c(CNCC(C)(C)S(C)(=O)=O)c(Cl)c1 840902111 MWHZPUJHGHOCQF-UHFFFAOYSA-N 305.827 2.267 10 10 DECE CN(C)C(=O)[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 840957966 NNIGUWCLIQZRHL-JFDDCEBESA-N 301.434 2.176 10 10 DECE COCc1ccnc(NC(=O)NCCc2ccc(O)c(O)c2)c1 844837768 MISMFWNDSAJEJW-UHFFFAOYSA-N 317.345 2.003 10 10 DECE CCN(CC)CC[C@@H](CO)NCc1ccc2c(c1)CCCO2 922220830 CMJUAUVCBZNJNT-KRWDZBQOSA-N 306.450 2.194 10 10 DECE Cc1cncc(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)n1 850390839 VAJLUIXPMHEOMX-UHFFFAOYSA-N 322.752 2.385 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 922724472 KBNHGPNVBSLKLX-SFLUDCRBSA-N 302.418 2.159 10 10 DECE COc1cncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C 867302723 TZRJCOZMFZKLTG-JTQLQIEISA-N 316.357 2.171 10 10 DECE COC(=O)/C(C)=C/COc1ccc(N(C)C)c(C(=O)OC)c1 865396664 YLAPQZPPGZOKPM-DHZHZOJOSA-N 307.346 2.037 10 10 DECE COC(=O)c1cc(OCc2cc(C)ncn2)ccc1N(C)C 865395037 GULHRPUFMNYBCC-UHFFFAOYSA-N 301.346 2.217 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H]2CCCN3C)c1O 880129750 AIEZMPPJDNQSQT-HOTGVXAUSA-N 306.381 2.402 10 10 DECE CN(Cc1ccccc1O)c1nc(NCCO)c2ccccc2n1 786792407 BEZDXIQGEVFWTG-UHFFFAOYSA-N 324.384 2.376 10 10 DECE Nc1ccc(OCCNc2ncncc2Br)cc1 90781681 XGWOKGFRSXBSLS-UHFFFAOYSA-N 309.167 2.312 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cnn(Cc2ccccc2)c1 394481797 LPFVQGXZLHZXAD-CQSZACIVSA-N 314.349 2.347 10 10 DECE CN(C)C1[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]12 691681884 ZEGTURGNTAAIEH-VXGBXAGGSA-N 311.223 2.147 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1c2ccccc2C[C@@H]1CO 1146794147 NELZESYPCJZPKY-IQCBXXCUSA-N 311.337 2.061 10 10 DECE COc1ccnc(OC)c1NC(=O)/C=C/c1ccc(O)c(O)c1 1154598333 CXSORGBAKBYYDN-GQCTYLIASA-N 316.313 2.162 10 10 DECE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 1326144176 IKUGYHLTZWWMDV-LSDHHAIUSA-N 316.401 2.046 10 10 DECE CC1(C)CN(c2ccc(CO)cc2Br)C[C@H]1CO 1914463817 RXUVJVMPOVKBDN-NSHDSACASA-N 314.223 2.396 10 10 DECE CNC(=O)[C@@H](C)N(C)c1ccc([C@H](C)N)c(Br)c1 1916815922 LOMMFMRQPAJMJS-DTWKUNHWSA-N 314.227 2.040 10 10 DECE CC(C)CN1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 1465955525 YSKWKUWUODFSBY-UHFFFAOYSA-N 306.406 2.082 10 10 DECE Cc1cn2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2n1 1465981566 PQFMYAXRZOAANO-UHFFFAOYSA-N 311.341 2.026 10 10 DECE CN(C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F 1465505044 HCZCZYRKBATHFU-UHFFFAOYSA-N 318.348 2.480 10 10 DECE Cc1nn2cccnc2c1C(=O)NCc1cccc(Cl)c1O 1606860308 JKBAUSUDLNQUCT-UHFFFAOYSA-N 316.748 2.327 10 10 DECE COc1cc(CN2CCCC[C@@H]2C)ccc1N1CCNCC1 212637744 RTCKPILWFVOHDA-HNNXBMFYSA-N 303.450 2.479 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2cccnc2)cc1C 1713292903 IDHBIWWATKHDAD-AWEZNQCLSA-N 313.401 2.307 10 10 DECE Cc1[nH]c(C=O)cc1C(=O)NCc1ccc2cccnc2c1O 1639621718 QEDWHLRDQFJOAU-UHFFFAOYSA-N 309.325 2.319 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cccc2nsnc12 1631438680 JQGJYGKHFONILN-UHFFFAOYSA-N 301.327 2.033 10 10 DECE CN(C)CCN(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O 230754562 AYHMAJFTLXSKLW-UHFFFAOYSA-N 321.204 2.147 10 10 DECE CCn1cc(Br)c(C(=O)NCCCCN=[N+]=[N-])n1 1963733425 ZCZWRXIJOHYKRX-UHFFFAOYSA-N 315.175 2.486 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)CCN(O)C(=O)OC(C)(C)C 1885560367 BTHSUSFWIRXDRG-UHFFFAOYSA-N 301.347 2.162 10 10 DECE C[C@@H]1C[C@@H](CO)CN1c1ccc(CO)cc1Br 1950537660 SZQVVQYBHIMHQY-MWLCHTKSSA-N 300.196 2.149 10 10 DECE Oc1cc(Br)ccc1CNCCN1C[C@H]2C[C@@H]2C1 1967783566 BTNRMZNWCIKJBO-VXGBXAGGSA-N 311.223 2.196 10 10 DECE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985094861 VFBHDTCZIYNIKS-JQWIXIFHSA-N 323.397 2.401 10 10 DECE C[C@@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(Cl)c1 2151283929 YQURTHKQCIVDBV-ZYHUDNBSSA-N 316.854 2.373 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)[C@H](C)c1ccc(F)cc1O 2160751809 WRPJKFZQTAMXHU-WDEREUQCSA-N 303.399 2.347 10 10 DECE O=C(O)[C@H]1[C@H]2C[C@H]1N(Cc1cc(Br)ccc1O)C2 400195861 YDJFOPNOKBIVAR-XRNSZHNASA-N 312.163 2.060 10 10 DECE COc1cc(Cl)cc(CN2CCC[S@@](=O)CC2)c1O 321880869 JLUJFKWFMCEZOC-LJQANCHMSA-N 303.811 2.009 10 10 DECE COc1ccc(N2CC[C@](C)(N)C2)c(OC)c1Br 2044324844 UUUFWCYFMCEWMB-ZDUSSCGKSA-N 315.211 2.394 10 10 DECE COc1ccc(N2CC3(CCN3)C2)c(OC)c1Br 2044313625 SHUCNANVBPUIGI-UHFFFAOYSA-N 313.195 2.018 10 10 DECE NCc1ccc(N2CC[C@H]3COC[C@H]32)c(F)c1Br 2077842380 XBRFLSABDAZSSM-GXSJLCMTSA-N 315.186 2.272 10 10 DECE 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300.402 2.445 10 10 DECE COc1ccc(O)c([C@H](C)NCc2n[nH]c3c2COCC3)c1 930216633 MKNXFTLFPROZGX-JTQLQIEISA-N 303.362 2.047 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCNC12CCC2 861583438 UXIDYZOFKSDOSH-INIZCTEOSA-N 316.449 2.145 10 10 DECE COC(=O)[C@H](C[C@H]1CCCOC1)NCc1ccc(OC)c(C)c1 862515675 ACBYVRXAXYRPRC-CVEARBPZSA-N 321.417 2.452 10 10 DECE C[C@@H](NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccc(N(C)C)cc1 875508342 ZSLZMMHVPRPDSZ-JWZBEHFJSA-N 317.433 2.368 10 10 DECE Cc1nnccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 776489153 ZUXKDYFKEZONSA-UHFFFAOYSA-N 303.341 2.312 10 10 DECE CON(C(=O)c1cc(O)cs1)[C@H](C)C(=O)OC(C)(C)C 871246017 JQMYMEBNOJAGBW-MRVPVSSYSA-N 301.364 2.188 10 10 DECE COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(O)c1 792181932 WJWKYZWDKXAFSB-KRWDZBQOSA-N 314.385 2.462 10 10 DECE Cc1nsc(C(=O)NCCCSc2nccs2)n1 794742279 WOLZPNZJNKFQAM-UHFFFAOYSA-N 300.434 2.215 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1CCNCC1 708078363 VYTQKFKCLRRSDG-UHFFFAOYSA-N 305.603 2.213 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2cn(C)nn2)c(Br)c1 689240702 VWYZQEOJZRVMKX-VIFPVBQESA-N 324.226 2.234 10 10 DECE COc1ccc(Br)c(CN[C@H](C)[C@H](C)CO)c1O 1964567447 VUMZZAFAKQWPLE-RKDXNWHRSA-N 318.211 2.270 10 10 DECE C[C@@]1(C(=O)NCc2c(O)ccc3ccccc23)CCNC(=O)C1 1179032460 HWRRMLWXNCLKHX-GOSISDBHSA-N 312.369 2.078 10 10 DECE Cn1nc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c(Cl)c1Cl 1912197871 ZUFUCJAGMQBDEA-ZCFIWIBFSA-N 303.153 2.499 10 10 DECE CNCc1ccc(N2CC3(CCOC3)C2)cc1Br 1915849370 GYUFBXUZCMURRV-UHFFFAOYSA-N 311.223 2.395 10 10 DECE CO[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1524853775 QMOUZSOPLKFZRG-DGCLKSJQSA-N 308.341 2.370 10 10 DECE O=C(CN1CCSC1=O)NCc1c(O)ccc2ccccc12 1456307513 BVGXUXLADHSPOB-UHFFFAOYSA-N 316.382 2.330 10 10 DECE O=C(Cc1cccc2nsnc12)N1Cc2cccc(O)c2C1 1455037301 OSYUBLVTUWPXSQ-UHFFFAOYSA-N 311.366 2.482 10 10 DECE CCn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C 1469248512 ISFVJOLAUQWAFW-UHFFFAOYSA-N 310.357 2.395 10 10 DECE CC(C)(C)[S@](=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1543545583 NCKKGWSKZHKZHY-JOCHJYFZSA-N 324.406 2.126 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccccc1O 1926540139 ZXZKXEVKPNRPGL-HYSWKAIVSA-N 322.405 2.010 10 10 DECE O=C(NCc1cc(O)ccc1O)c1coc(-c2cccnc2)n1 1633598878 FQPHIFFJVFPRCD-UHFFFAOYSA-N 311.297 2.078 10 10 DECE Cc1c(CNC(=O)c2c(F)ccc(O)c2O)cccc1[N+](=O)[O-] 1648710937 XMDNRNSIPCMTSM-UHFFFAOYSA-N 320.276 2.384 10 10 DECE CCOC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)on1 1647830265 PPTVAPOIFDPCIY-UHFFFAOYSA-N 324.720 2.140 10 10 DECE C[C@@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1O 1643738619 JTOVGCDVDWILFE-MRVPVSSYSA-N 319.748 2.031 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cc(C2CC2)[nH]n1 1570531681 LMQIRHNPFHNGCF-UHFFFAOYSA-N 308.341 2.471 10 10 DECE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)c2cn[nH]c2)cc1C 1674632386 AKDVJQQMNCXZPO-STQMWFEESA-N 316.405 2.023 10 10 DECE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC/C=C\Cl 1774050383 VMBXJHANYAKFJD-XIIQGOPKSA-N 323.784 2.309 10 10 DECE COc1ccc(O)c(CNC(=O)[C@@H](C)n2nc(C)cc2C)c1 155977257 YFAJSUUEDWPMCP-GFCCVEGCSA-N 303.362 2.092 10 10 DECE [N-]=[N+]=NCCN1CCC[C@H]2CC[C@]21CNC(=O)C(F)(F)F 1962302539 ZPBYYLWZZBADDM-ONGXEEELSA-N 305.304 2.220 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2ccc(N)cc2)C1 1977671446 VXMYQCPGSLKTIZ-OAHLLOKOSA-N 320.437 2.232 10 10 DECE NCc1ccc(N2CCC[C@@](F)(CO)C2)cc1Br 2039796415 IHZIIBMXMCZLDK-ZDUSSCGKSA-N 317.202 2.209 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3[C@@H](O)C[C@H]3C2)cc1Br 2033983973 PVPTUHJQIGBTRC-UGIUPUBSSA-N 312.207 2.319 10 10 DECE C[C@H]1C[C@H](O)CN(c2cc(Br)c(CN)cc2F)C1 401693088 HPECZFSTTHSLPT-WPRPVWTQSA-N 317.202 2.254 10 10 DECE C[C@H]1CCN(c2ccc(CN)cc2Br)C[C@H]1CO 700440148 XJBQETCZJUIZDD-JQWIXIFHSA-N 313.239 2.363 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)C1(Cc2ccccc2)CC1 2063116650 BFMOOMLPDJGUDV-UHFFFAOYSA-N 313.353 2.443 10 10 DECE COc1ccc(N2CCN[C@@H]3C[C@H]32)c(OC)c1Br 2044327520 FKKPSYOAHDDMTR-PSASIEDQSA-N 313.195 2.017 10 10 DECE COc1ccc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(C)c1 2210880342 DRXPMEWSIZGTEB-UHFFFAOYSA-N 322.405 2.079 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2203363810 SJCIDODINQAKET-ISTVAULSSA-N 315.822 2.226 10 10 DECE C[C@]1(CO)C=CCN1c1ccc(CN)c(Br)c1F 2221466231 AUADYWIOMILNIO-CYBMUJFWSA-N 315.186 2.174 10 10 DECE C[C@H](O)c1ccc(N2CC[C@]3(O)C[C@H]3C2)cc1Br 2254033329 AUWMWHVFZUCMIC-BHDSKKPTSA-N 312.207 2.464 10 10 DECE Cc1ccc(CN=[S@](N)(=O)C2CC2)c(O)c1Br 2307463293 HTWFLKJFJNUHCC-KRWDZBQOSA-N 319.224 2.467 10 10 DECE C[C@@H](CN(C)C)N(C)c1ccc(CN)c(Br)c1F 2326778471 RQIHWYKKHNIZBK-VIFPVBQESA-N 318.234 2.433 10 10 DECE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327796190 CWLXIQWBXSOSEZ-NXEZZACHSA-N 314.179 2.114 10 10 DECE Cc1cc(CNC(C)C)ccc1N(C)[C@H]1CCS(=O)(=O)C1 50560650 LRMRZOZQFDTCPX-HNNXBMFYSA-N 310.463 2.116 10 10 DECE C[C@@](N)(CC(=O)O)c1cc(Cl)cc(Br)c1O 309330801 WDCNHRICOCFYRS-SNVBAGLBSA-N 308.559 2.457 10 10 DECE COc1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1O 184684647 LAARYTZINCHCKX-UHFFFAOYSA-N 322.796 2.483 10 10 DECE COc1cc(O)c(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC 180423551 GPXWSZGSAPDIHG-GXTWGEPZSA-N 308.422 2.324 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)C3CCOCC3)c(Cl)cc21 92750578 XFIBORHWLODOAA-AWEZNQCLSA-N 309.797 2.168 10 10 DECE CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(C)c1O 372281649 JFYBHEKNGWTJCU-HUUCEWRRSA-N 307.390 2.243 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](O)COC(C)C 819377547 SSBPMDRJQOVXQB-YJBOKZPZSA-N 308.466 2.368 10 10 DECE O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c(F)ccc(O)c1O 827099762 FMVZEJPUYXARJH-PWSUYJOCSA-N 311.353 2.298 10 10 DECE COC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)c(C)o1 830140356 AKGQOTFDGASLLZ-UHFFFAOYSA-N 303.314 2.352 10 10 DECE C[C@@H]1CN(CCNC/C=C/c2ccc(N(C)C)cc2)CCO1 835039256 YXVORAXKIFWMBC-DWTRPJMMSA-N 303.450 2.076 10 10 DECE COCCNC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 844899830 GONGRPNVJMGLHF-UHFFFAOYSA-N 309.429 2.092 10 10 DECE CCc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O 848913915 BCRZCRNWPOZYDY-GJZGRUSLSA-N 309.431 2.106 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)CN1CCO 841891365 KQVRRJZDCXUUSE-QWRGUYRKSA-N 316.804 2.072 10 10 DECE CCc1noc(C)c1CNC(=O)NCc1c(O)cccc1F 922610775 DRIPYEXPAITJOT-UHFFFAOYSA-N 307.325 2.390 10 10 DECE O=C(NCc1c(O)cccc1F)c1cnc(NC2CC2)s1 928709828 MEUQAUXCWGBFKK-UHFFFAOYSA-N 307.350 2.492 10 10 DECE NC(=O)CC1CC(NCc2ccc(N3CCCCC3)cc2)C1 922512297 PWTLCQNQDUJHHQ-UHFFFAOYSA-N 301.434 2.421 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)cc1 855231923 YTYXCZWWJLMDMA-CQSZACIVSA-N 318.417 2.207 10 10 DECE C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2c(O)cccc2F)C1 928706163 OKRLJQZEXGDILN-ONGXEEELSA-N 303.337 2.237 10 10 DECE CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CNCCO1 852745938 DOXIKSOKQQNLDQ-GOSISDBHSA-N 303.450 2.097 10 10 DECE COc1cc(CN2CCOC[C@H]2C(F)(F)F)c(O)cc1C 768446156 KGAVWPCJDMBSCG-ZDUSSCGKSA-N 305.296 2.472 10 10 DECE Cc1ccc(O)c(CNC(=O)c2ccnn2C2CCOCC2)c1 862753028 ACUKRWUDYGMUOJ-UHFFFAOYSA-N 315.373 2.179 10 10 DECE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 864984636 YHZRSQSWMBOVOJ-QCSYZSNVSA-N 314.429 2.432 10 10 DECE O=C([C@H]1CCCN1c1nccs1)N1Cc2cccc(O)c2C1 871203345 YCKHKPBEBWAOIO-CYBMUJFWSA-N 315.398 2.360 10 10 DECE COc1nn(C)cc1NC(=O)NCc1ccc(N(C)C)cc1C 789328102 ZZONEKUOEBVZCA-UHFFFAOYSA-N 317.393 2.125 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2ncnn2C)c(Br)c1 707664168 BVLALGXITHVBJQ-VIFPVBQESA-N 324.226 2.234 10 10 DECE CN(Cc1cccc(Cl)c1O)CC(C)(C)S(C)(=O)=O 713908592 BWLYWUMIDRXTIM-UHFFFAOYSA-N 305.827 2.301 10 10 DECE C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CCO 1146447581 ZFYLUCWXXILWCQ-RISCZKNCSA-N 318.377 2.472 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1[C@H]1CCCO1 1305523246 DIYZRKIVUKBXOL-XJKSGUPXSA-N 305.374 2.200 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccncc1Br 1178912642 VRQHYPBMOHZCHT-UHFFFAOYSA-N 323.146 2.185 10 10 DECE Cn1nc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cc1Br 1912193246 MUBDYWHJSANQJS-SSDOTTSWSA-N 313.159 2.098 10 10 DECE C/C(=C/C(=O)N1CCC(=O)Nc2ccccc21)c1cnccn1 1360075812 UFLJLLVDEVHKJG-BENRWUELSA-N 308.341 2.255 10 10 DECE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)C1=CCOCC1 1607547909 KBOINDXQZCIICW-UHFFFAOYSA-N 305.374 2.129 10 10 DECE C[C@H](C[C@@H](O)c1cccs1)NC(=O)Cc1ccc(O)c(O)c1 1546041121 UBVJIAYFLYUOIJ-QMTHXVAHSA-N 321.398 2.330 10 10 DECE Cc1nc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n[nH]1 1630704041 LVTFTWHQAHEUEC-UHFFFAOYSA-N 324.340 2.373 10 10 DECE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn(C)c1=O 1631472937 XFNFUYINRKWYHC-UHFFFAOYSA-N 313.317 2.108 10 10 DECE O=C(CSCc1ccccn1)NCc1c(O)cccc1O 1645361087 WIWHHMJKRYZVQB-UHFFFAOYSA-N 304.371 2.042 10 10 DECE Cc1cc(CN2CC(=O)NC[C@H]2C(C)(C)C)ccc1N(C)C 1644650641 HSZKDKVHOWKQGB-INIZCTEOSA-N 303.450 2.408 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCNc1ccccc1 1585233252 VCURUCMJMGCJIB-UHFFFAOYSA-N 300.358 2.259 10 10 DECE CC[C@@H]1SC(=S)N(CC(=O)Nc2ccc(F)cc2)C1=O 11635574 JIZVXEQBDICSKL-JTQLQIEISA-N 312.391 2.403 10 10 DECE Nc1ccc(OCC(=O)N2CC=C(C(F)(F)F)CC2)cc1 167072991 NGTOHUJPZOOFMQ-UHFFFAOYSA-N 300.280 2.369 10 10 DECE C[C@H]1CO[C@@H](CO)CN1c1ccc(CNC2CC2)cc1Cl 167319352 DBFPIEJYWKDBGF-SMDDNHRTSA-N 310.825 2.178 10 10 DECE O=C1N[C@@]2(CNCc3cc(Cl)cc(Cl)c3O)CC[C@H]1C2 1966006191 NREOISXWMJWGHH-RTHLEPHNSA-N 315.200 2.457 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O 1967768145 VGOROTJCMQMVPI-YGNMPJRFSA-N 312.207 2.404 10 10 DECE CC1(C)[C@H](CNCc2ccc(Cl)cc2O)CCS1(=O)=O 1967858723 VYKDXXUTQVDZKE-NSHDSACASA-N 317.838 2.349 10 10 DECE N[C@@H](c1ccccc1O)[C@@H](O)c1ccncc1Br 2031156169 BCPKKUPGMIBOHC-STQMWFEESA-N 309.163 2.283 10 10 DECE OCc1ccc(N2CC[C@@H](O)C3(CC3)C2)cc1Br 2032261533 FHURFYKWOAFWBU-CYBMUJFWSA-N 312.207 2.293 10 10 DECE N[C@H]1CCN(Cc2c(O)cccc2Br)CC1(F)F 2034177331 RUXDSBOAVWCQMD-NSHDSACASA-N 321.165 2.323 10 10 DECE C[C@H]1C[C@H](O)CCN1c1cc(Br)c(CN)cc1F 705587208 ZHYISUJVPZDDNZ-WCBMZHEXSA-N 317.202 2.397 10 10 DECE CN(Cc1ccnn1C)c1ccc(CO)cc1Br 689523862 BKOZXUKTAZGPMF-UHFFFAOYSA-N 310.195 2.311 10 10 DECE CN(CCCF)c1cc2c(cc1Br)[C@H](O)C(=O)N2 716738452 TZPZGKYYRBIVMD-NSHDSACASA-N 317.158 2.230 10 10 DECE Cn1cc(Br)c(CNCc2cccc(F)c2O)n1 393334058 VXEXNUFLRDQXHB-UHFFFAOYSA-N 314.158 2.317 10 10 DECE NCc1ccc(N2CC(OC(F)F)C2)c(Br)c1 398882078 JEQMBQYPYLWYOW-UHFFFAOYSA-N 307.138 2.336 10 10 DECE CNCc1ccc(N(C)CC[S@](C)=O)cc1C(F)(F)F 399100491 SCRCNSUEVHTAOQ-FQEVSTJZSA-N 308.369 2.240 10 10 DECE C[C@@H]1[C@@H](Sc2nccs2)CCC[C@@]1(NC1CC1)C(N)=O 2175823981 MNJPSVKZVGKFHB-PUYPPJJSSA-N 311.476 2.400 10 10 DECE OCc1ccc(N2CCC23CC(CO)C3)cc1Br 2042664650 QRLAIBCEMNUYKM-UHFFFAOYSA-N 312.207 2.293 10 10 DECE CN1CC[C@H]2[C@H](CCN2c2ccc(CN)c(Br)c2)C1 2114499800 FVFKSXCJNPODJC-DOMZBBRYSA-N 324.266 2.438 10 10 DECE COc1sccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2225800598 PVXATUVESZTSGF-JGVFFNPUSA-N 302.381 2.266 10 10 DECE CSc1ncc(CNCc2nsc(N(C)C)n2)s1 2256940341 AELHZMXIQLBUQO-UHFFFAOYSA-N 301.466 2.072 10 10 DECE NC(=O)CN(CC=Cc1ccccc1)c1ccc2c(c1)OCCO2 2296144170 HWFAPWMIOIBQMS-UHFFFAOYSA-N 324.380 2.463 10 10 DECE CC(=O)NN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2297317628 JHWVHIUUGANPQU-UHFFFAOYSA-N 321.427 2.005 10 10 DECE CC(C)[C@@H](CO)N(C)c1ccc(CO)cc1Br 2302599776 ZIGXPMNXEIOUEB-CYBMUJFWSA-N 302.212 2.395 10 10 DECE CC(C)(C)S(=O)(=O)C[C@](C)(Sc1nccs1)C(=O)O 2351878520 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Cc1cc(COCC(=O)N(C)Cc2ccc(N(C)C)cc2)on1 801079394 XGDWNCZMDJXHFB-UHFFFAOYSA-N 317.389 2.224 10 10 DECE C[C@H](NC1CCC(N2CCNCC2)CC1)c1ccccc1O 817983968 SQFGHELNZGSACT-FHERZECASA-N 303.450 2.259 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1c(O)cccc1O 1952451175 QHDWNYFGQVQACU-NSHDSACASA-N 308.378 2.369 10 10 DECE CCn1cc(CN2CCOc3ccc(N(C)C)cc3C2)cn1 575541680 WYAJPBBSTCZITE-UHFFFAOYSA-N 300.406 2.364 10 10 DECE Oc1cc(Br)c(I)cc1O 575685397 HXYNLXLXPVAYSQ-UHFFFAOYSA-N 314.904 2.465 10 10 DECE NCCCNC(=O)N(Cc1ccco1)Cc1ccccc1O 841928811 BVVVORBYMHNHJT-UHFFFAOYSA-N 303.362 2.046 10 10 DECE COC1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1 841857275 SQGZLLLAWZPVPS-UHFFFAOYSA-N 305.422 2.316 10 10 DECE COc1cccc(O)c1[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 687754342 CGNZAWIQKLWNME-SECBINFHSA-N 311.334 2.441 10 10 DECE Cc1ccc([C@H](C)NC[C@@H]2CC3(CCNCC3)C(=O)O2)c(O)c1 925855587 KYNGIUOJPIWINR-KBPBESRZSA-N 318.417 2.037 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CCn3cccc3)C2)cc1 855230681 HSWAPDXYGHLVNF-HNNXBMFYSA-N 313.401 2.282 10 10 DECE Cc1cc(C(=O)N[C@H](CO)C2CCC2)c(C)n1-c1ccccn1 855261806 JVVNPLFYEQSUQJ-MRXNPFEDSA-N 313.401 2.380 10 10 DECE COc1cccc([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O 858603252 VGZLKCDSLLWAHG-FZMZJTMJSA-N 304.390 2.205 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCOC[C@@H]2C)c1 763620302 TZCULEHPCUYZRS-MJVIPROJSA-N 308.378 2.186 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCOCC2(CC2)C1 783598923 GPLXUBPBNWFYFD-UHFFFAOYSA-N 302.418 2.136 10 10 DECE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)C1O 898722904 VTJLEZRGXMBXNC-IUCAKERBSA-N 321.398 2.401 10 10 DECE CC(C)O[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1138067947 QDBQYLPRQJHPRZ-GJZGRUSLSA-N 307.390 2.349 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2ncn(C)n2)cc1Br 2121853706 OAGWUWCFUFGKHT-SECBINFHSA-N 324.226 2.234 10 10 DECE CC(C)(CNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 227541919 IZCLGSBOPJCJGO-UHFFFAOYSA-N 310.394 2.491 10 10 DECE Cc1cnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 1559709703 OBJCVHQFFIUADL-HNNXBMFYSA-N 312.417 2.472 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc2oc(S)nc2c1 1622643363 MUIKTUKPQZDVNL-UHFFFAOYSA-N 316.338 2.458 10 10 DECE CNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1O 1624627962 BKBIMRWTRVBAGA-UHFFFAOYSA-N 320.732 2.363 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCOc2ccccc21 1627663050 VUXZZQOHUBNCPR-ZDUSSCGKSA-N 313.353 2.323 10 10 DECE Cc1noc([C@H](NC(=O)NCc2c(O)cccc2F)C(C)C)n1 1565494718 QZUDGXUMHFAMKK-CYBMUJFWSA-N 322.340 2.419 10 10 DECE Cn1c(=O)cc(C(=O)N2Cc3cccc(O)c3C2)c2ccccc21 1632703771 PEPDEZQLUKOICK-UHFFFAOYSA-N 320.348 2.400 10 10 DECE Cc1cc(Cn2c(C)nnc2N(C)Cc2ccccc2O)on1 1493135328 ZTGUULZSLHMFIL-UHFFFAOYSA-N 313.361 2.273 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)/C=C(\C)c2cnccn2)c1 1595806594 PWGWEYJGJMNTQB-JATZPVMKSA-N 313.357 2.472 10 10 DECE Nc1ccc(CCC(=O)N[C@H](C(=O)O)c2cccs2)cc1 158192229 HVASZKYVBACVLP-AWEZNQCLSA-N 304.371 2.205 10 10 DECE CCn1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1 166601735 ZLFIJTKEPAARRW-UHFFFAOYSA-N 304.346 2.355 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@H]([C@@H](N)c2ccccc2O)C1 1936983431 QVOQPSVWOMQTBN-IUODEOHRSA-N 322.405 2.276 10 10 DECE C[C@@H]1C[S@](=O)CCN1Cc1cc(Br)ccc1O 1970309999 IUAOLAWRICANAA-VVVCHXIZSA-N 318.236 2.108 10 10 DECE C[C@@](CO)(NCc1cc(Br)ccc1O)C(F)F 1998358573 YHUJFEQQQSGERV-NSHDSACASA-N 310.138 2.260 10 10 DECE CN(Cc1nnc(Br)s1)c1ccc(CN)cc1 1998825532 FNVUBWOXCXIKPA-UHFFFAOYSA-N 313.224 2.396 10 10 DECE OCC[C@H]1C[C@H](NCc2cc(Br)ccc2O)C1 2021835263 BEWTUPDFASIRFP-OTCDBFHCSA-N 300.196 2.405 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@@]2(CO)C3)cc1Br 2029252212 QEXKSWZLQRETLY-HZMBPMFUSA-N 311.223 2.259 10 10 DECE CSc1ccc(C=C2SC(=O)N(CCN)C2=O)s1 2032356679 MQYLPCXTGUYJDH-UHFFFAOYSA-N 300.430 2.465 10 10 DECE C[C@@H]1C[C@@H](O)CCN1c1cc(Br)c(CN)cc1F 705587206 ZHYISUJVPZDDNZ-SCZZXKLOSA-N 317.202 2.397 10 10 DECE CNCc1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Cl 694191942 RIDOIUAVAKGCGV-UHFFFAOYSA-N 316.854 2.073 10 10 DECE CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2c(O)cc(C)nc12 2064526174 QPQLLAUAVCWZMR-AWEZNQCLSA-N 324.384 2.494 10 10 DECE CCOC(=O)c1cc(CC)nn1Cc1cccc(OC)c1O 2069883684 KKBWBZRFHXKCAW-UHFFFAOYSA-N 304.346 2.385 10 10 DECE CN1CCc2cc([C@H](N)c3nc(Br)cn3C)ccc21 2104510957 PEFQDYAJCDPGKK-ZDUSSCGKSA-N 321.222 2.223 10 10 DECE CS(=O)(=O)[C@H]1CC[C@H](NCc2c(O)cccc2Cl)C1 2089153221 XCXLBYVDIPOIOF-UWVGGRQHSA-N 303.811 2.101 10 10 DECE CSc1ncc(CNC[C@@H]2C[C@@H](N)CC(C)(C)O2)s1 2269316757 IHWRRYUFHDHEEX-ZJUUUORDSA-N 301.481 2.240 10 10 DECE CCN1C(=O)C(=Cc2ccccc2OC)C(C(=O)OC)=C1C 2313510684 FASWMFNZDMSBAX-UHFFFAOYSA-N 301.342 2.388 10 10 DECE Cc1ccc(CN(C)[C@@H]2CNC[C@H]2F)c(O)c1Br 2327620610 FOQQPNULVXKHGV-GHMZBOCLSA-N 317.202 2.205 10 10 DECE CN[C@H](C)c1cnc(S[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2342106211 QNTLJZPMCQQBBV-UTLUCORTSA-N 320.505 2.481 10 10 DECE COc1ccc(C2(CO)C(=O)c3ccccc3C2=O)cc1OC 59381659 WWBUELZJGLZDAB-UHFFFAOYSA-N 312.321 2.013 10 10 DECE O=C(NCC(F)F)c1cccc2c1C(=O)c1ccccc1C2=O 175379443 GQWBYFGKUCUQTK-UHFFFAOYSA-N 315.275 2.457 10 10 DECE Cc1cccc(CCNC(=O)Nc2cc(O)c(O)c(O)c2)c1 217278989 YKZIDYDCOSJWDH-UHFFFAOYSA-N 302.330 2.476 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 77515354 XQZAUFJHEVBNFD-HOCLYGCPSA-N 305.422 2.103 10 10 DECE C[C@@H]1CC(NS(=O)(=O)Cc2ccc(N)cc2)C[C@@H](C)S1 2365734464 PZTLOOKZUJVRMF-GHMZBOCLSA-N 314.476 2.361 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1cccc(O)c1O 381359455 JXEPIBYKMBDEGC-MNOVXSKESA-N 310.394 2.489 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 192714369 DVASRMKFCALSMS-UHFFFAOYSA-N 323.352 2.471 10 10 DECE Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(O)c1O 248405690 BCGWHLIQSGFNSL-DAXOMENPSA-N 317.385 2.484 10 10 DECE CCN(CC)c1ccc(CN2CC[C@]3(CNC(=O)C3)C2)cc1 279383142 JKPMEQQBVPZOTQ-SFHVURJKSA-N 301.434 2.245 10 10 DECE COCCC1(C)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 288710547 CKQUEKLKQGFNFX-UHFFFAOYSA-N 310.350 2.475 10 10 DECE C[S@](=O)CC1CN(c2ccc(C=CC(=O)O)c(Cl)c2)C1 2166647050 BBLNZNCFNDAAFM-FQEVSTJZSA-N 313.806 2.253 10 10 DECE CCOC(=O)c1cccnc1NCCc1ccc(O)c(O)c1 811810903 IFIKXBAKHGXWIO-UHFFFAOYSA-N 302.330 2.324 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\C1CC1 819696150 NMQJNAOLJMSVKN-KTKRTIGZSA-N 303.358 2.250 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCCc2cnccc2C)c1O 826927096 YKEVPJOALLGZEO-UHFFFAOYSA-N 317.345 2.345 10 10 DECE C[C@@H]1CC[C@@H](O)CN1Cc1ccc(Br)cc1O 826131386 SDESJWIDPADYCZ-BXKDBHETSA-N 300.196 2.500 10 10 DECE C[C@@H](NS(=O)(=O)c1cnn(C2CCC2)c1)c1ccccc1O 919120020 UDUURMOYQVNMGE-LLVKDONJSA-N 321.402 2.353 10 10 DECE C/C(=C/c1cccnc1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 848394088 MVXXFHNPHWXKNU-DEQJRXDXSA-N 324.428 2.367 10 10 DECE C[C@@H]1C[C@@H](NC[C@]2(CCO)CCOC2)c2c(O)ccc(F)c21 756654610 LBVQQAZBKWLJEJ-NDGTYSDOSA-N 309.381 2.458 10 10 DECE O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(c1ccc(OCc3ccccc3)cc1)C2 1899874034 IETFVLFEFJXMGO-QZHFEQFPSA-N 311.381 2.196 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N(C)CC(F)F)C2)cc1 852452763 FTKBXXJZSDUYIO-LLVKDONJSA-N 313.348 2.180 10 10 DECE C[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1O 850560110 BRZGBOPYKREXLG-TZMCWYRMSA-N 321.396 2.472 10 10 DECE CC[C@H](COCC1CC1)NC(=O)NCCc1ccc(N)cc1 851662714 HERRAGMABNKAKD-MRXNPFEDSA-N 305.422 2.316 10 10 DECE CCO[C@H]1COCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 871199716 SWSGHMBQXPCMAM-WBMJQRKESA-N 305.374 2.066 10 10 DECE COCCN(Cc1cc(C)c(C)cc1O)Cc1ccnn1C 787330551 BEACVSJOZJBAFZ-UHFFFAOYSA-N 303.406 2.391 10 10 DECE COC(=O)c1c(CNCC2(C)COC2)c2cc(F)ccc2n1C 894255652 HOVYRGGNXOSVHR-UHFFFAOYSA-N 320.364 2.230 10 10 DECE COc1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 1142727586 AGFLLJMNCUJIHU-UHFFFAOYSA-N 309.325 2.274 10 10 DECE O=C(c1cccc(O)c1O)N1CCS[C@@H](C(F)(F)F)C1 721448169 MTQFVWCHVNJYOL-SECBINFHSA-N 307.293 2.218 10 10 DECE C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)O1 1335507283 OTKCGBWHFAKKIB-CKEIUWERSA-N 321.440 2.233 10 10 DECE COc1ccc(CNC[C@@H](C)CNC(=O)CC(C)(C)O)cc1C 1267979241 KQJZHINUHZFRGU-CYBMUJFWSA-N 322.449 2.007 10 10 DECE CC1(C)CCCN(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1 1912189081 UEWBSQNDZWYYDM-LLVKDONJSA-N 301.416 2.128 10 10 DECE C[C@H]1[C@H](O)CCN1c1ccc(CN)c(Br)c1F 1914283593 UQTOYWBJGBZCBI-OIBJUYFYSA-N 303.175 2.006 10 10 DECE COC(=O)C[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440716400 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Cc1ccc(O)c(CNC(=O)c2ccn(C3CCOCC3)n2)c1 862753133 BUJUBCZPKYETSR-UHFFFAOYSA-N 315.373 2.179 10 10 DECE N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2c(O)ccc3c2CCCC3)C1 870893928 ASRLZLLDJGWWIH-VEVIJQCQSA-N 300.402 2.015 10 10 DECE CN(CC(=O)N1Cc2cccc(O)c2C1)c1ccc(Cl)cn1 871201542 WOWYHXCRFOCZTI-UHFFFAOYSA-N 317.776 2.419 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc(F)cc1 773743717 IIZSUTLNFCDTGD-SNVBAGLBSA-N 317.316 2.167 10 10 DECE COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 899108472 WVHMUAKGUCAPRF-XQQFMLRXSA-N 320.389 2.484 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 896058616 QYEXWWSCRVJRHT-QWHCGFSZSA-N 304.390 2.032 10 10 DECE O=C(O)[C@]12C[C@@H]1CN(Cc1cc(Br)ccc1O)C2 703516326 FJHVZARTRONXAL-RNCFNFMXSA-N 312.163 2.061 10 10 DECE COc1ccc(CNC(=O)NC[C@@H]2CCC(C)(C)O2)c(O)c1 793063185 POXRIIOCOHVJCF-ZDUSSCGKSA-N 308.378 2.158 10 10 DECE COc1ccc2c(c1)CCCN2C[C@@H](O)COC[C@@H]1CCCO1 797723301 ZFNIBOZKCFKVEU-WBVHZDCISA-N 321.417 2.004 10 10 DECE 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O=C(NCc1cc(Br)ccc1O)C1=COCCC1 804732802 BSKDRKCFDGPSDT-UHFFFAOYSA-N 312.163 2.465 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[C@H]2CN3)cc1 817876346 DYPIIPHRAIXSIT-WBVHZDCISA-N 316.449 2.179 10 10 DECE Cc1ccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c(O)c1O 837160422 SHVZWRBKQMHNNJ-OAHLLOKOSA-N 312.369 2.193 10 10 DECE C[C@@H](F)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 836247690 CLYAWJNGFPVDLF-CYBMUJFWSA-N 309.385 2.071 10 10 DECE COCCn1cc(CNC/C=C\c2ccc(N(C)C)cc2)cn1 835049080 FHKUJEFIXUPIBK-PLNGDYQASA-N 314.433 2.399 10 10 DECE O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/C1CC1 911359813 HLASYXBUWGPQAV-ZZXKWVIFSA-N 309.749 2.425 10 10 DECE Cc1ccccc1-n1c(C)cc(C(=O)NCc2cnn[nH]2)c1C 748005409 ISYZFSXVJBQYGB-UHFFFAOYSA-N 309.373 2.451 10 10 DECE COc1cc(Cl)cc(CN2CCNC[C@](C)(F)C2)c1O 843124586 CRHVFSQJMCNPLR-AWEZNQCLSA-N 302.777 2.188 10 10 DECE COc1cccc([C@@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)c1O 848570928 CQUJKDKATXTBLQ-PWSUYJOCSA-N 306.362 2.035 10 10 DECE CC[C@H](C(=O)O)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 844929565 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DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Br)nc1 1629796896 FBSPRWSOROYPCP-UHFFFAOYSA-N 323.146 2.437 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN1CCC(N)CC1 1340062703 HPOKODZNZCGPRV-UKRRQHHQSA-N 303.450 2.262 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)c2cn[nH]c2)cc1C 1568607607 KSWADKPMFYWWGO-ZDUSSCGKSA-N 316.405 2.025 10 10 DECE C[C@H]1[C@H](CO)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 1568203286 AXXPEEICBIDVKH-IUCAKERBSA-N 307.371 2.155 10 10 DECE Cc1cc2c(cc1C)O[C@H](C(=O)NCc1cc(O)ccc1O)C2 1633595321 RLLCZZBAIZIWHU-KRWDZBQOSA-N 313.353 2.335 10 10 DECE CC(=O)NCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 1858586882 JUMNZTLNCDGZAY-XYOKQWHBSA-N 324.402 2.163 10 10 DECE C[C@H]1C[C@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C 1964888880 HYDSAUJBXNUAGC-WCQYABFASA-N 320.389 2.406 10 10 DECE O=C(O)C[C@@H]1CCN1Cc1ccc(Br)cc1O 2001244313 ZKZKBWHRYKHDKP-JTQLQIEISA-N 300.152 2.204 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCOC[C@H]1F 2013770083 PEYUAFSSPPRXQL-MNOVXSKESA-N 304.159 2.371 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)[C@@H]1C(=O)O 2022987047 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Cn1ncc(Br)c1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218740533 ZPPMNMWJQYOKBG-JGVFFNPUSA-N 313.159 2.144 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1nccnc1Cl 2270932820 WOPZHRFMXRONOY-UHFFFAOYSA-N 320.157 2.290 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CC[C@H]3CCN[C@H]3C2)s1 2284634538 CYAXCKPWTSDNOE-UMNHJUIQSA-N 311.476 2.259 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2cc[nH]n2)C1 2307986648 OLCKKOCFGHLAMU-CYBMUJFWSA-N 313.357 2.240 10 10 DECE Cc1ccc(CN2CCC(O)CC2)c(O)c1Br 2307433927 GSLJAHZEEQZFOH-UHFFFAOYSA-N 300.196 2.420 10 10 DECE O=C(O)[C@]1(Sc2nccs2)CCCN[C@H]1C(F)(F)F 2351839878 WGFANEKDKVBHJM-MUWHJKNJSA-N 312.338 2.373 10 10 DECE C[C@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 177934147 YFTCGSHXDRYTBD-DZGCQCFKSA-N 308.397 2.492 10 10 DECE COC(=O)[C@@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 177862859 UDDNAQCOMPUHAM-ZDUSSCGKSA-N 304.390 2.102 10 10 DECE Nc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2F)cc1 37908906 RUBVMHPJHGBNNN-UHFFFAOYSA-N 316.304 2.165 10 10 DECE C[C@@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)cc1Cl 78929030 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10 10 DECE C[C@@H](F)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852356369 CKZDDOYUHDELPA-CYBMUJFWSA-N 323.412 2.195 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3oc(C)nc3C)C2)cc1 855232012 PRJXFCFENFXLDD-ZDUSSCGKSA-N 315.373 2.309 10 10 DECE CC[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1 850034007 FYKGQOJAXWCQQF-CABCVRRESA-N 308.397 2.319 10 10 DECE C[C@H](CC(=O)NCc1c(O)cccc1F)NC(=O)C1CCCC1 928710388 CRVCDBGNYZFUJT-LLVKDONJSA-N 322.380 2.233 10 10 DECE C/C=C/CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 858553175 ZIAOHUKETHRDFU-XGACYXMMSA-N 303.406 2.397 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CCC3(COC3)C2)cc1 853457493 VHJZDDAPIURLEO-UHFFFAOYSA-N 317.433 2.465 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)O1 864950762 ZQHBYLJCAGQAAA-OAHLLOKOSA-N 304.390 2.195 10 10 DECE CCOC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1957863401 ZSEJSOSRALGQOD-GXTWGEPZSA-N 310.394 2.322 10 10 DECE O=C(N1Cc2cccc(O)c2C1)[C@@]1(O)CCc2ccccc2C1 871204543 GEDJGXSJZMVDGH-LJQANCHMSA-N 309.365 2.154 10 10 DECE CCOC(CC(=O)N[C@@H](C)c1cc(OC)ccc1O)OCC 786410291 SKMSXLAOQWVTSV-NSHDSACASA-N 311.378 2.367 10 10 DECE OCCC1(NCc2c(O)ccc(Cl)c2F)CCOCC1 790976613 JJQMPMYECLWGLL-UHFFFAOYSA-N 303.761 2.206 10 10 DECE CCn1cc(C(=O)NCc2ccccc2O)nc1Br 710754436 VSRPLYBZRLYTTP-UHFFFAOYSA-N 324.178 2.301 10 10 DECE CC(C)[C@](C)(NCc1ccc(Br)cc1O)C(N)=O 691486430 GMWHHEKYAMAISS-ZDUSSCGKSA-N 315.211 2.144 10 10 DECE C[C@H]1CCN(Cc2ccc(Br)cc2O)[C@@H]1C(=O)O 691411995 BFIHCTCMFMOCOL-UFBFGSQYSA-N 314.179 2.450 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2cc(C)on2)cc1C 1267344816 UVAKCHYOHZEBQS-UHFFFAOYSA-N 317.389 2.162 10 10 DECE CC[C@@H](F)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1713956937 OAIMIZYKIGCLJI-RBSFLKMASA-N 308.397 2.489 10 10 DECE Nc1ccc(OCCC(=O)NC[C@H]2CSCCS2)cc1 229575220 GYRSNVKQRRRNTQ-ZDUSSCGKSA-N 312.460 2.003 10 10 DECE O=C(NCCCSc1nccs1)c1ccn2nccc2n1 1565620277 NOVIWHXSUCWHIX-UHFFFAOYSA-N 319.415 2.098 10 10 DECE Cn1c(O)nc2ccc(C(=O)NCc3c(O)cccc3F)cc21 1646034946 OWXHKMXFZDJXLW-UHFFFAOYSA-N 315.304 2.054 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc(N2CCCC2)nc1 1644752567 KSNILRAHYGJBAR-UHFFFAOYSA-N 313.357 2.023 10 10 DECE COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(N)cc1 1860080540 JCFGJEJFDXIIHV-LBPRGKRZSA-N 300.358 2.361 10 10 DECE CNCc1ccc(N2CCN(C3CC3)CC2)c(Br)c1 234428557 GDQHVYCOIVSSEF-UHFFFAOYSA-N 324.266 2.453 10 10 DECE Cn1ncc(Br)c1CNCc1c(O)cccc1F 896637958 SRJLWDBPHYOTHX-UHFFFAOYSA-N 314.158 2.317 10 10 DECE CSCC[C@H](C)N(C)S(=O)(=O)Cc1ccc(N)cc1 161041781 JLTIKGCBHWHACY-NSHDSACASA-N 302.465 2.172 10 10 DECE N[C@@H]1[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21 2000277910 DVEOQXPEPQUINT-DOFRTFSJSA-N 317.614 2.197 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@H]1[C@H]2OCC[C@@H]21 2007566621 OQVUFWBJXYDGNH-UISBYWKRSA-N 302.143 2.171 10 10 DECE CN(CC1(F)COCCOC1)c1ccc(CO)c(Cl)c1 2187190087 JWJMFLPRZQCQPQ-UHFFFAOYSA-N 303.761 2.024 10 10 DECE CN[C@H](C)c1ccc(N2CC(F)(CO)C2)cc1Br 2052740976 UKNHEEFURDXPKO-SECBINFHSA-N 317.202 2.250 10 10 DECE C[C@H](NCc1ccc(Br)cc1O)[C@H]1C[C@H]1C(=O)O 2054517955 MBYKWPUYMJOEKX-WHGOUJPWSA-N 314.179 2.354 10 10 DECE COc1ccc(N2CCN(Cc3ccccc3)CC2)c(CN)c1 2211284888 ITDXTRCUHBANNM-UHFFFAOYSA-N 311.429 2.476 10 10 DECE C[C@H]1CC[C@@H](C2OCCO2)N(c2c(F)cc(CN)cc2F)C1 2095714230 FECLQGIAPSCQKT-HZMBPMFUSA-N 312.360 2.401 10 10 DECE CSc1nc(NN)cc(NCc2cnc(SC)s2)n1 2269314635 SQZUHFULLDZZFO-UHFFFAOYSA-N 314.465 2.275 10 10 DECE CSc1ncc(CNC(=O)N[C@H](C(=O)O)C(C)(C)C)s1 2284502790 YYRPFSLCQMMNMK-MRVPVSSYSA-N 317.436 2.164 10 10 DECE COC[C@](C)(CO)N(C)c1cc(Cl)c(OC)cc1OC 2285873840 SOZYYQCGNKREKK-AWEZNQCLSA-N 303.786 2.191 10 10 DECE O=C(/C=C\c1cccnc1)N1Cc2cnnn2Cc2ccccc21 491971819 JHLXIKSWIAWKBM-FPLPWBNLSA-N 317.352 2.281 10 10 DECE C[C@H](CCNC(=O)C=Cc1ccc(O)c(O)c1)N1CCCCC1 2308445035 GPAJLHZVQPOKCH-CQSZACIVSA-N 318.417 2.492 10 10 DECE Cc1ccc(CN(C)[C@H]2CC[C@@H]2O)c(O)c1Br 2307564821 DUPQRTIEQRIAFH-QWRGUYRKSA-N 300.196 2.418 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(CO)CC1 305165095 OIIQVGCFXYNARR-UHFFFAOYSA-N 313.357 2.095 10 10 DECE CCN1CCC(CCNC(=O)NCc2ccccc2O)CC1 73939387 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C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1O 1471195429 IBKDUSCFOFMEIT-ZCFIWIBFSA-N 310.697 2.168 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCCCn2ccnc2)cc1 1628261502 GPMWFZNWTCEZJJ-UHFFFAOYSA-N 314.349 2.256 10 10 DECE COCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1733965275 HTHCGGLOWIVBEC-KBPBESRZSA-N 308.422 2.023 10 10 DECE COC(=O)c1nccnc1NCc1ccc(N2CC=CC2)cc1 1642306402 AIHSQJFMAFPQPO-UHFFFAOYSA-N 310.357 2.252 10 10 DECE NCc1ccc(N2CCC[C@@H]2CO)c(F)c1Br 231839251 XYCRNECIXCLPHR-SECBINFHSA-N 303.175 2.008 10 10 DECE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCCCO2)cc1C 1663886730 KLYAHFPIKUVZLM-KRWDZBQOSA-N 320.433 2.121 10 10 DECE O=C(COc1ccc2c(c1)CCC2)NCc1c(O)cccc1O 1597569629 QJSWGGUHDJXCRW-UHFFFAOYSA-N 313.353 2.282 10 10 DECE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCCN=[N+]=[N-])C1 1962300451 QSHPFJIFKPEDOF-CQSZACIVSA-N 313.402 2.038 10 10 DECE CN[C@H](C)c1ccc(N2CCCS(=O)(=O)CC2)cc1Cl 300521101 PBYWPWWDVHMPOH-LLVKDONJSA-N 316.854 2.245 10 10 DECE CN(Cc1ccns1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 404477573 PTCUQEIMQMFGMS-GFCCVEGCSA-N 308.794 2.385 10 10 DECE C[C@H]1CN(c2ccc(CO)c(Br)c2)C[C@H]1CO 708747496 FEZDKCFQCLVREM-ONGXEEELSA-N 300.196 2.006 10 10 DECE CCc1nc(CNCc2cccc(Br)c2O)n[nH]1 392401296 FNFLUXSSGYQOIW-UHFFFAOYSA-N 311.183 2.125 10 10 DECE Oc1ccc(Br)cc1CN(CC1CC1)C1CNC1 2042134860 SBOHPAJDTJTQCD-UHFFFAOYSA-N 311.223 2.339 10 10 DECE NCc1ccc(N2C[C@@H](O)C3(CCC3)C2)cc1Br 2046463167 XOWAEBBRHZKJQA-CYBMUJFWSA-N 311.223 2.259 10 10 DECE O=C(O)C1=CCN(Cc2cc(Br)ccc2O)CC1 2048885461 NTEAHJYURWXBRC-UHFFFAOYSA-N 312.163 2.371 10 10 DECE COC[C@]1(F)CCN(c2ccc(CN)cc2Br)C1 2059275988 XSOYMFDJEWVKIP-ZDUSSCGKSA-N 317.202 2.473 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]2CO)cc1Br 2078298194 LTWKBBOIFXNWAE-VILIVFPASA-N 312.207 2.319 10 10 DECE C[C@H](O)c1ccc(N2CCn3ncnc3C2)c(Br)c1 2114039173 XNVSOAPZXXBIAW-VIFPVBQESA-N 323.194 2.114 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2211748187 LVTREYTUWHGIRZ-IAQYHMDHSA-N 321.381 2.463 10 10 DECE COc1ccc(N2CCSCC(F)(F)C2)c(CCN)c1 2235972634 BWWOGRXLCJSDEY-UHFFFAOYSA-N 302.390 2.385 10 10 DECE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccccc1 2297338434 PFYNTAXMTCGBIH-UHFFFAOYSA-N 310.284 2.492 10 10 DECE Cc1ccc(CNC(=O)CCCCO)c(O)c1Br 2327793096 RVCZXETUURYCFR-UHFFFAOYSA-N 316.195 2.242 10 10 DECE CO[C@@H]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3O)[C@@H]2C1 179495279 DHVWZGMXYYMNDV-FMKPAKJESA-N 322.361 2.069 10 10 DECE CC(=O)Oc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1 20236065 RPAQGILLLRCTRZ-BPBFFJPSSA-N 311.297 2.062 10 10 DECE Cc1noc(C)c1CCNC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170038201 QKGKKHWXOXGGQR-SNVBAGLBSA-N 318.373 2.240 10 10 DECE Nc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1 63130485 VDUFBXKMEHFPDW-UHFFFAOYSA-N 307.331 2.047 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(O)c1 185388176 SHTKHHANHMNITI-NSHDSACASA-N 301.342 2.093 10 10 DECE Cc1cc(O)c([C@H](C)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2361698177 LLJKCZJCJGANQM-RBZYPMLTSA-N 315.822 2.144 10 10 DECE COc1cccc(O)c1[C@@H]1CNCCN1C(=O)OC(C)(C)C 1952057290 QGIHWKSBOLJCLR-NSHDSACASA-N 308.378 2.282 10 10 DECE Cc1ccc(N2CCCN(Cc3cc(F)ccc3O)CC2)nn1 180092525 XMULCYNHBCYKFK-UHFFFAOYSA-N 316.380 2.342 10 10 DECE Cc1cc(NS(=O)(=O)c2cc(CO)cs2)cc(C)c1O 2366573276 ZSBKZWUTBBGVRU-UHFFFAOYSA-N 313.400 2.364 10 10 DECE COc1ccc(N2CCOCC2)cc1NC(=O)c1ccncc1 41365133 PBOBXOFPKSRQQS-UHFFFAOYSA-N 313.357 2.179 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1ccc(O)cc1O 1952143051 CCMRPFUSRJYILQ-GXFFZTMASA-N 308.378 2.497 10 10 DECE Nc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1 322086933 IWIPZTXHWHDHHV-UHFFFAOYSA-N 306.369 2.313 10 10 DECE COc1ccc(Br)c(CN(C)[C@@H](C)C(=O)O)c1O 2220451863 IWTSVOXLPQUCBZ-ZETCQYMHSA-N 318.167 2.068 10 10 DECE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cn[nH]c1 270437863 QFOJFZYNOUNJQH-ZDUSSCGKSA-N 311.389 2.346 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(O)cc1O 724942700 HRKGDHCVVFMQND-GFCCVEGCSA-N 308.378 2.197 10 10 DECE COc1cc(O)c(CN2CCCC[C@@]3(CCNC3)C2)cc1OC 903959724 MZSJUTKXTSLEGO-SFHVURJKSA-N 320.433 2.375 10 10 DECE COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)nc1 839539103 JGSKGVGMDFPPSJ-NSHDSACASA-N 316.357 2.433 10 10 DECE CC(C)[C@@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 835025375 FBHZSCIAHAHWKF-FUTAKVPZSA-N 301.434 2.222 10 10 DECE CO[C@@](C)(CO)CN[C@H](C)c1cc(Br)ccc1O 848558072 JOZAHFJXEZQQGY-NOZJJQNGSA-N 318.211 2.203 10 10 DECE C[C@H](O)C[C@H]1CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844211296 YHXRXOZBVHGGHW-VAFIWLDWSA-N 320.345 2.432 10 10 DECE CCN(C)c1ccc(Cn2nc3c(OC)cccn3c2=O)cc1 842612862 PSEDFSFKQJDFDC-UHFFFAOYSA-N 312.373 2.009 10 10 DECE O=C(NCc1cc(Br)ccc1O)O[C@H]1CCOC1 915602488 ABNGBJQWOZBYOC-JTQLQIEISA-N 316.151 2.170 10 10 DECE CC(C)[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 755995794 NLZKDWBFZFMEER-INIZCTEOSA-N 303.450 2.347 10 10 DECE O=C(O)[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1cccs1 756340710 UVPGDMQDGQQXCT-GFCCVEGCSA-N 308.315 2.277 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]3C)C2)cc1 851960286 XETMEDVCUXOXCR-IHRRRGAJSA-N 303.406 2.229 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H](C)[C@H]3[C@H]4CN[C@H]3C4)C2)cc1 925705555 KXMDEGYYQGWFOO-IHYABNQOSA-N 315.461 2.108 10 10 DECE C[C@@H](NC[C@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 927136705 RVSVVVBEWSMSDG-XIKOKIGWSA-N 315.417 2.389 10 10 DECE COc1ccc(N2CC[C@H](NCc3cc(C)nn3C)C2)cc1 850347418 RWWXJQDJGSDCAN-AWEZNQCLSA-N 300.406 2.106 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 864471014 VQRKZSUXZHLHPD-JKIFEVAISA-N 318.417 2.157 10 10 DECE COC(=O)c1cc(OCCOCC(F)F)ccc1N(C)C 865395472 RBECJHRQSDHLMZ-UHFFFAOYSA-N 303.305 2.200 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cccc(O)c1[N+](=O)[O-] 798162148 MRVRTAGPVBRATJ-UHFFFAOYSA-N 302.286 2.278 10 10 DECE C[C@H](c1ccc(F)cc1O)N(C)C1CCS(=O)(=O)CC1 694193756 MKUARKDHYJMFQJ-SNVBAGLBSA-N 301.383 2.101 10 10 DECE C[C@H](O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1300256626 PEZHNFZNXXEBEP-BTDLBPIBSA-N 319.332 2.018 10 10 DECE CO[C@@]1(C)C[C@H]1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1230200527 KTIPIOFIERTEKF-QBIMZIAESA-N 319.449 2.469 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2123329088 IHZMGKZMQPIJQE-KOLCDFICSA-N 303.811 2.017 10 10 DECE C[C@@H](NC(=O)Cn1c(O)nc2ccccc21)c1ccccc1O 1171716880 CFKPUGXWAGNNCC-LLVKDONJSA-N 311.341 2.325 10 10 DECE NCc1ccc(N2CC[C@@H](O)C23CCC3)c(Br)c1 1914392533 FNFPWYGZOPBDCR-CYBMUJFWSA-N 311.223 2.402 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1445992274 RLHWFCYTBCWMGW-CLCXKQKWSA-N 309.365 2.342 10 10 DECE CC(C)(CNC(=O)OC(C)(C)C)NCc1ccc(O)cc1O 222018823 KDTKPQCZBRRATF-UHFFFAOYSA-N 310.394 2.491 10 10 DECE CCc1nc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1546021267 CNIVCYJBZVIOAI-UHFFFAOYSA-N 304.331 2.245 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1cnc2cccnn12 1558757692 OOFKBBLGRVNIES-UHFFFAOYSA-N 302.721 2.018 10 10 DECE Cc1ccc(O)c(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 1557553977 SOPQBLMZCMBNFP-UHFFFAOYSA-N 316.313 2.304 10 10 DECE O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(O)cs1 1556409983 TUTQYFZFUBHVIK-UHFFFAOYSA-N 300.339 2.225 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2ncoc2C)cc1C 1567002234 PBBYNDUXGIAIPQ-LBPRGKRZSA-N 317.389 2.208 10 10 DECE CC(C)(C)OC(=O)NOCCCNCc1ccc(O)cc1O 1928413251 CYGWWTYARVFNCQ-UHFFFAOYSA-N 312.366 2.034 10 10 DECE O=C(NCCN1CCc2ccccc21)c1c(F)ccc(O)c1O 1654274716 ZXAADDFFFAFOQT-UHFFFAOYSA-N 316.332 2.029 10 10 DECE NCc1ccc(N2CCC[C@@H](O)C2)c(F)c1Br 231839079 PWZZWODIOOUCHC-SECBINFHSA-N 303.175 2.008 10 10 DECE O=C(NCc1c(O)cccc1O)[C@H]1COc2cc(F)ccc2C1 1597574216 KMWXDPFSHPLPOS-LLVKDONJSA-N 317.316 2.104 10 10 DECE O=C(NCc1ccccc1O)NCc1cccc2c1OCCO2 1684607951 XUOUKBFFRHXQKB-UHFFFAOYSA-N 314.341 2.163 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNCc1ccc(O)c(O)c1 1895226092 JSHMWEKIKYQGHT-STQMWFEESA-N 322.405 2.348 10 10 DECE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1O 2152903547 AYOMZAKOGGZXJV-OCCSQVGLSA-N 317.838 2.491 10 10 DECE CN(CC1(Br)CC1)C(=O)c1cccc(O)c1O 2020246554 VKGSFCMCNXRFAI-UHFFFAOYSA-N 300.152 2.097 10 10 DECE C[C@@H](O)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159805641 LWASNVKZLARMHQ-MRVPVSSYSA-N 305.388 2.323 10 10 DECE C[C@@]1(CO)CCN(c2cc(Br)c(CN)cc2F)C1 381506528 UCDQODBWWASFOH-CYBMUJFWSA-N 317.202 2.256 10 10 DECE CC(C)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2174090603 HLFDSJHZHKLFFI-LLVKDONJSA-N 310.341 2.275 10 10 DECE CC(C)[C@@H](C(=O)Nc1ccc(O)c(O)c1)N1C[C@@H](C)O[C@H](C)C1 2062083903 ACDGABJWSIIRPD-HSMVNMDESA-N 322.405 2.170 10 10 DECE Cc1nnc2n1CCN(Cc1cccc(Br)c1O)C2 769365463 SYGCNGZNCSOXMZ-UHFFFAOYSA-N 323.194 2.070 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CCc2nccn2C1 858118495 DBRJPGYBHQTZLL-SNVBAGLBSA-N 322.206 2.456 10 10 DECE C[C@@]12CN(c3ccc(CO)c(Br)c3)C[C@@]1(CO)C2 2046802088 LKSKBANSAHXHKF-ZIAGYGMSSA-N 312.207 2.150 10 10 DECE CN(C[C@H]1C[C@](C)(F)C1)S(=O)(=O)Cc1ccc(N)cc1 2198458797 VPCVRERDKQKSKB-MQMHXKEQSA-N 300.399 2.169 10 10 DECE CNCc1ccc(N2CC=C(CO)CC2)c(Br)c1 2051359702 PSAYCBNNBQUFHV-UHFFFAOYSA-N 311.223 2.297 10 10 DECE C[C@@H](N=c1[nH]ccnc1Br)c1c(O)cccc1O 2057934945 FTKXDHPNIABGEF-SSDOTTSWSA-N 310.151 2.245 10 10 DECE COc1ccc(N2CC[C@@](C)(O)C2)c(OC)c1Br 2219390382 VGWZJLJWWOWPJH-CYBMUJFWSA-N 316.195 2.427 10 10 DECE O=S(=O)(CCNCc1c(O)cccc1Cl)C(F)(F)F 2224284994 HWTIGXVDQYXBKJ-UHFFFAOYSA-N 317.716 2.070 10 10 DECE O=S(=O)(CCNCc1cccc(Cl)c1O)C(F)(F)F 2224285531 PCXOOFQHPKJBNJ-UHFFFAOYSA-N 317.716 2.070 10 10 DECE COc1ccc(O)c(CNc2cscc2S(C)(=O)=O)c1 2288491895 YWBIADPUBLBTQQ-UHFFFAOYSA-N 313.400 2.478 10 10 DECE CC[C@@H](N)CC(=O)NCc1ccc(C)c(Br)c1O 2327585855 XUQGSADNSVCKAI-SNVBAGLBSA-N 315.211 2.207 10 10 DECE Cc1ccc(CN(C)[C@H]2CNC[C@@H]2F)c(O)c1Br 2327620612 FOQQPNULVXKHGV-QWRGUYRKSA-N 317.202 2.205 10 10 DECE COC[C@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C 57660793 VDQNIOXSBBUCEA-ZDUSSCGKSA-N 305.422 2.245 10 10 DECE CC(C)(C)[C@H](O)C[C@@H]1C[C@H](N)CN(c2ccc3c(c2)OCO3)C1 108216706 IGNFRHMVYJCHPZ-GDZNZVCISA-N 320.433 2.366 10 10 DECE Nc1ccc(CCNS(=O)(=O)/C=C/c2ccccc2)cc1 63129949 OUEQSXHZNMIQDS-ACCUITESSA-N 302.399 2.402 10 10 DECE COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1O 185774889 JRGLYSJCCCFRRD-GXFFZTMASA-N 320.368 2.455 10 10 DECE CNS(=O)(=O)c1cccc(N[C@@H](C)c2ccccc2O)c1 36978880 MJIWSYHCDKATLJ-NSHDSACASA-N 306.387 2.473 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1 77515362 XQZAUFJHEVBNFD-GDBMZVCRSA-N 305.422 2.103 10 10 DECE CC[C@@H](N[C@H](C)C(=O)NC)c1cc(Br)ccc1O 42560486 DIVQITLQUOYELG-LDYMZIIASA-N 315.211 2.330 10 10 DECE N[C@H](c1cc(Br)ccc1O)[C@@H](O)C(F)(F)F 95740786 FUQZYBZIPOVUAY-HTQZYQBOSA-N 300.074 2.078 10 10 DECE CC(=O)NCCNC(=O)N(c1ccccc1)c1ccc(N)cc1 242749611 DGKMIQLXKCHSHF-UHFFFAOYSA-N 312.373 2.253 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1c(O)cccc1O 1952451174 QHDWNYFGQVQACU-LLVKDONJSA-N 308.378 2.369 10 10 DECE C[C@@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1O 827923019 HRTLAAQTASTULP-XAGWURHQSA-N 320.414 2.023 10 10 DECE CCn1nnc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 828860351 BUHKDNOWKXXEMB-NSHDSACASA-N 301.394 2.163 10 10 DECE O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c(F)ccc(O)c1O 827099760 FMVZEJPUYXARJH-CMPLNLGQSA-N 311.353 2.298 10 10 DECE COc1ccc(O)c(CN[C@H]2Cc3ccccc3N(C)C2=O)c1 826902706 LREGEZAARWBNLT-HNNXBMFYSA-N 312.369 2.078 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@H]1CO[C@H](C2CC2)C1 825130841 GUMLKDXCIJSXBW-AEFFLSMTSA-N 302.418 2.180 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@H]1CS2 838479429 RDDMBPOVBOATJE-GJZGRUSLSA-N 305.447 2.460 10 10 DECE CCN1CCCN(C/C=C/c2ccc(N(C)C)cc2)CC1=O 835049166 CBTFRHBMSRIDSY-FNORWQNLSA-N 301.434 2.320 10 10 DECE O=S(=O)(CCc1cccc(F)c1)N1Cc2cccc(O)c2C1 918884656 XMXSOLVQIMKXNJ-UHFFFAOYSA-N 321.373 2.419 10 10 DECE CCOc1cccc(CNC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1O 848563924 ZDWWEVMITMEDBZ-SOUVJXGZSA-N 322.449 2.378 10 10 DECE COc1ccc(N2CCC(NCCC3(CN)CC3)CC2)cc1 844903737 LWBXHAJKUOUYQW-UHFFFAOYSA-N 303.450 2.383 10 10 DECE Oc1ccccc1CN(CCO[C@H]1CCOC1)C[C@H]1CCCO1 929973113 WFTGUOMFIFTYFG-SJORKVTESA-N 321.417 2.179 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCOCC3)C2)cc1 855226082 PZGCEFONHSSNLY-LSDHHAIUSA-N 318.417 2.207 10 10 DECE CN(C)CC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 921587822 NYTRIZBHCNLSAV-UHFFFAOYSA-N 323.412 2.451 10 10 DECE C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc(N(C)C)cc1 922056280 XOAZRVOJLXKINQ-WOSRLPQWSA-N 304.438 2.205 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccccn2)c1 853736461 BVOHXFYQWSYTFY-GFCCVEGCSA-N 315.373 2.399 10 10 DECE Oc1cccc2c1[C@@H](N[C@H]1CNCC3(CCOCC3)C1)CC2 925796122 KSPOMKKTLAEJSC-CABCVRRESA-N 302.418 2.128 10 10 DECE Cn1nccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 928371083 NXESAAJVNPPCIC-DYLGSBMWSA-N 313.357 2.208 10 10 DECE C/C=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769123265 YIDWCACULNONLW-IHWYPQMZSA-N 313.445 2.411 10 10 DECE CC(=O)c1cc(F)cc(CN[C@@H]2CCOC23CCOCC3)c1O 934406186 POHDUGOKYXLPCI-OAHLLOKOSA-N 323.364 2.162 10 10 DECE C[C@H](NC(=O)NC[C@@H]1CCCCN(C)C1)c1ccccc1O 868805843 PCFRLXAYHVCPBK-KBPBESRZSA-N 305.422 2.484 10 10 DECE C[C@@H]1C[C@@]2(CC[C@@H](CNCc3cc(F)cc(F)c3O)O2)CO1 886328684 ORZJMWNLLBVIDF-HICWGWBUSA-N 313.344 2.487 10 10 DECE C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)n1cccc1 783470640 SWHGKDPVTLIEAP-LLVKDONJSA-N 303.314 2.277 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1[C@H]2CC[C@H]1COC2 897961630 SSNFSTFASDJAJI-UWVGGRQHSA-N 305.355 2.316 10 10 DECE COc1cc(C)cc(CN2CC(C)(C)O[C@@]3(CCOC3)C2)c1O 794693637 GTWIMZRSQPMWPJ-SFHVURJKSA-N 321.417 2.479 10 10 DECE CC[C@@H](NCc1cc(Cl)cc(Br)c1O)C(N)=O 708125545 SXHPPPIODDJIEB-SECBINFHSA-N 321.602 2.162 10 10 DECE Oc1cc2c(cc1CN1CC[C@@H](c3ccccn3)C1)[C@H](O)CO2 799158396 KGVNKWFLMZVATO-SJKOYZFVSA-N 312.369 2.203 10 10 DECE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNc1ccc(N)cc1 1959376857 FONDUPSSXKMZDO-UHFFFAOYSA-N 303.366 2.373 10 10 DECE CC(=O)c1cc(F)c(O)c(NC(=O)c2cccc(O)c2O)c1 1156201574 URRRXCPHYYHYHB-UHFFFAOYSA-N 305.261 2.397 10 10 DECE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1ccc(N)cc1 1959569115 ULSNEINZXJMORK-JOYOIKCWSA-N 301.312 2.305 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2)[nH]n1 1303223520 SUPRXHMLMKFBCI-UHFFFAOYSA-N 309.325 2.418 10 10 DECE C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1O 1302538246 KVJKIBGBSUHOQS-LBPRGKRZSA-N 308.341 2.464 10 10 DECE Cn1ccnc1[C@H](NC(=O)c1cc(O)cs1)C(F)(F)F 1181748971 WYQFINRFTYVDRH-QMMMGPOBSA-N 305.281 2.221 10 10 DECE CC(C)C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1331999767 IPAVOXNPNPCUSI-CQSZACIVSA-N 316.401 2.272 10 10 DECE CNC(=O)[C@H](C)N(C)[C@@H](C)c1cc(Br)ccc1O 1916790347 NLLCAGUTIRGCEM-IUCAKERBSA-N 315.211 2.282 10 10 DECE C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1294614726 CXNSQBUEAUDMME-LRDDRELGSA-N 315.369 2.269 10 10 DECE C[C@H](CC(=O)O)N(C)Cc1cc(Br)ccc1O 1926917681 WJWJGEJHUIWNQK-MRVPVSSYSA-N 302.168 2.450 10 10 DECE CCN1CC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1570418234 JSYMLOYJCWIBOQ-RHSMWYFYSA-N 303.450 2.202 10 10 DECE CCOC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1643104247 RNPKKPFBWGSIQW-UHFFFAOYSA-N 315.325 2.205 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCS1(=O)=O 127923055 LWXILQVHDXCJSR-QMMMGPOBSA-N 324.229 2.318 10 10 DECE COC[C@@H](C)NCc1c(Br)ccc(OC)c1O 1964042694 NVNOBAVQKWOQGZ-MRVPVSSYSA-N 304.184 2.288 10 10 DECE CC(C)(C)OC(=O)Nc1cnn(CC(=O)NCCCN=[N+]=[N-])c1 1964879270 CJMAVYQSMYNXFC-UHFFFAOYSA-N 323.357 2.047 10 10 DECE OCc1ccc(N2CCO[C@@H](CF)C2)cc1Br 2004601185 UWZSGUVBLAQTCF-NSHDSACASA-N 304.159 2.116 10 10 DECE Oc1cccc(Br)c1CNC1CN(CC(F)F)C1 1970971849 JIXNBYYOMRKXSK-UHFFFAOYSA-N 321.165 2.194 10 10 DECE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCC1(CN=[N+]=[N-])CC1 1985103900 BYMLQAFRFRUIGR-BONVTDFDSA-N 323.397 2.496 10 10 DECE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1O 2152903865 FMVRMVUPPIQBGU-STQMWFEESA-N 317.838 2.491 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Cl)c1 688603895 XRCDTELIIHTRIP-ZJUUUORDSA-N 305.827 2.263 10 10 DECE Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2CN3C)c1O 1233110079 RPLSEGABSHCMBT-STQMWFEESA-N 311.223 2.351 10 10 DECE Cc1ccc([C@H](C)n2nc(C(F)F)c(C(N)=O)c2N)c(O)c1 2079052411 UVMORRXTEFCSGM-ZETCQYMHSA-N 310.304 2.125 10 10 DECE O=C(N[C@H]1CS[C@@H](C(F)(F)F)C1)c1cccc(O)c1O 2189225434 ONUBELUCUSFING-HZGVNTEJSA-N 307.293 2.264 10 10 DECE OCc1ccc(N2[C@H]3CC[C@@H](C3)[C@@H]2CO)cc1Br 2058371382 ZWTGJXFBTUEMQC-CHIMOYNISA-N 312.207 2.291 10 10 DECE CS[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@H]1N(C)C 2114276937 KRNSBQITNQTUHB-KGLIPLIRSA-N 300.855 2.314 10 10 DECE COc1ccc(Br)c(CN(C)CC(C)(C)N)c1O 2220461826 BVVBQOIRQKYERT-UHFFFAOYSA-N 317.227 2.332 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CNC2(CCC2)C1 2239354185 JEJWJQGJPKIEAD-JTQLQIEISA-N 316.810 2.072 10 10 DECE Oc1c(Br)cccc1CNCCN1CC[C@H]2C[C@@H]21 2261448054 ALRRQSVGBZGBNP-GWCFXTLKSA-N 311.223 2.339 10 10 DECE Cc1cc(CN2C(=O)c3ccccc3C2=O)c(O)c([N+](=O)[O-])c1 59233350 VIFDGFZOMOQEJH-UHFFFAOYSA-N 312.281 2.405 10 10 DECE CCN(CC)c1ccc(CNC(=O)C[C@H](C)C(=O)OC)cc1 177897385 WNCMUTLSGLSQKT-ZDUSSCGKSA-N 306.406 2.348 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](c3ccn[nH]3)C2)c1 170913436 VCVBOLZMVIROAK-NSHDSACASA-N 302.334 2.403 10 10 DECE CN1C[C@H](NCc2ccc(N3CCCCC3)cc2)CCC1=O 77900571 UXAYKVPKIJFIMI-MRXNPFEDSA-N 301.434 2.387 10 10 DECE O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)c2ccccc21 33413951 LNPZVQUYHQYIGJ-UONOGXRCSA-N 300.266 2.178 10 10 DECE CN(C(=O)CCN1C(=O)CSC1=S)C1CCCCC1 1865766240 YFUWXTPXSIJUNM-UHFFFAOYSA-N 300.449 2.028 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cccc2ccc(O)nc12 813489262 UJDUYUYUAAZIBK-UHFFFAOYSA-N 310.309 2.282 10 10 DECE C[C@H]1Oc2ccc(C=O)cc2N(OCc2ccc(N)cc2)C1=O 821296576 FYJIOXOJCRLDOM-LLVKDONJSA-N 312.325 2.327 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@@]12C[C@H]1COC2(C)C 827956931 RODYRDDLIJUJAB-KBXCAEBGSA-N 302.418 2.492 10 10 DECE CCC1(N)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 903947225 OEEWIZVOMYMGCB-UHFFFAOYSA-N 303.450 2.227 10 10 DECE C[C@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 835054842 RTGCRKJJRAAQAU-CSLAMCDYSA-N 317.477 2.153 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1895876870 YYXSMBKNFKEHFH-WOPDTQHZSA-N 323.397 2.306 10 10 DECE COC(=O)CC1(NCc2cc(Br)ccc2O)CC1 846027213 MLURNJVWHLVKHI-UHFFFAOYSA-N 314.179 2.340 10 10 DECE CCOc1ccc(N(CC)C[C@@H](O)COC[C@H]2CCCO2)cc1 747683202 SWQWEVXXXZKTFE-SJLPKXTDSA-N 323.433 2.468 10 10 DECE CO[C@H]1C[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 859009822 MFBIEQXMYJXIAJ-XBXGTLAGSA-N 318.417 2.495 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12CC(C1)C2 859734726 XLJHKJALFDEGAQ-UHFFFAOYSA-N 318.392 2.203 10 10 DECE COc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 858451783 BOPFLHWCLPURRW-UHFFFAOYSA-N 301.346 2.213 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)cc1 855231991 POLGJZBYFMZJIG-CYBMUJFWSA-N 315.348 2.238 10 10 DECE C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C 858283865 TXOWLZKZZVINNN-GGXPGOJBSA-N 317.477 2.340 10 10 DECE CCOC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867836006 AJAJATXGTPQPDI-RYUDHWBXSA-N 301.408 2.045 10 10 DECE COc1ccc(O)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c1 769540816 JPXQECZLQORHGF-UHFFFAOYSA-N 324.336 2.172 10 10 DECE CC(C)(C)c1cc(O)c(O)c(CN2C[C@H]3C(=O)OC[C@H]3C2)c1 863337615 FECPFQDAGYRRHA-DGCLKSJQSA-N 305.374 2.000 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)n1cccn1 935944977 GJSGAPIWMKHPPA-GFCCVEGCSA-N 308.378 2.342 10 10 DECE CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2[C@H](C)[C@@H](O)C3)c1O 879394497 IWTJCVUNLCCWRB-IGJIQSDSSA-N 307.365 2.468 10 10 DECE CCCN(CCC)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 775289499 VKMKTWMHSMYYIY-UHFFFAOYSA-N 317.367 2.079 10 10 DECE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 390784644 NGGIOFQLDGFFFN-HNNXBMFYSA-N 303.366 2.006 10 10 DECE O=S1(=O)C=C[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 88855746 MYDKXJPQMFFSTG-VIFPVBQESA-N 308.186 2.099 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C2=C[S@@](=O)CCC2)c1 1137473565 NWOYPHJRHAEERB-CWKPULSASA-N 309.387 2.004 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC2CCC(CO)CC2)cc1 1138163515 NIHNJVXTWBDBMY-UHFFFAOYSA-N 304.350 2.130 10 10 DECE O=C(N=c1cc[nH]cc1)NCc1cc(Br)ccc1O 796638324 DJXIJEAZHJYGMQ-UHFFFAOYSA-N 322.162 2.293 10 10 DECE Cc1nnc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)s1 1141713693 XBTVCPHQVZQHCN-UHFFFAOYSA-N 304.335 2.286 10 10 DECE CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)c(Cl)c1 688510633 YTXNXWIADXDQDD-SNVBAGLBSA-N 305.827 2.264 10 10 DECE CCN(CCS(C)(=O)=O)c1ccc([C@H](C)N)cc1Cl 688604714 SIBDGRQZMPSMSC-JTQLQIEISA-N 304.843 2.231 10 10 DECE COc1ccc(O)c(CNCc2cc(Br)no2)c1 718880543 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DECE C[C@H](NC(=O)CCONC(=O)OC(C)(C)C)c1ccccc1O 1989690802 WTKIRVPZMUMQRE-NSHDSACASA-N 324.377 2.416 10 10 DECE CC(C)(C)OC(=O)NCCC1CN(Cc2cc(N)ccc2O)C1 1992746558 MAXVNALUAVKXKO-UHFFFAOYSA-N 321.421 2.321 10 10 DECE Oc1c(F)cc(Br)cc1CNC1[C@@H]2COC[C@@H]12 2006186882 UXSWMAPPZQVAPA-RKDXNWHRSA-N 302.143 2.028 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)[C@@H](C)c1ccc(F)cc1O 2160751807 WRPJKFZQTAMXHU-QWRGUYRKSA-N 303.399 2.347 10 10 DECE OCC[C@@H](NCc1cccc(Br)c1O)C1CC1 304301164 FYONYKDYGKMDRC-GFCCVEGCSA-N 300.196 2.405 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)c2n1 2063279759 FSDAHIHPYWQEEJ-UKRRQHHQSA-N 312.373 2.004 10 10 DECE Cc1ccc(Br)c([C@H](NCCN=[N+]=[N-])C(N)=O)c1 2220787821 URPSAIKEGRNXAQ-JTQLQIEISA-N 312.171 2.184 10 10 DECE O=[N+]([O-])c1cc(NS(=O)(=O)CCCC2CC2)ccc1O 2236168519 QDSFYMLPMDQZTI-UHFFFAOYSA-N 300.336 2.232 10 10 DECE C[C@@H](CN1CCCCC1)NC(=O)C=Cc1ccc(O)c(O)c1 2307990564 ZRMIRCPRCUBHIE-ZDUSSCGKSA-N 304.390 2.102 10 10 DECE Cc1ccc(CN2C(=O)[C@H]3C[C@H](C3)C2=O)c(O)c1Br 2352953019 RITRBGVZWZSOCM-AOOOYVTPSA-N 324.174 2.358 10 10 DECE CCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62093208 NNGSUOBKYDSGRF-UHFFFAOYSA-N 315.417 2.044 10 10 DECE Cc1nccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)n1 184105903 SUKDMARIOKCQMF-UHFFFAOYSA-N 324.428 2.302 10 10 DECE CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 34138230 RCVDCOHRHGCKKR-XYOKQWHBSA-N 317.341 2.093 10 10 DECE O=C(N[C@H](C(=O)O)c1ccccc1O)OCc1ccccc1 39957062 DRZCYRRRDPDHBO-AWEZNQCLSA-N 301.298 2.444 10 10 DECE CCOC(=O)CCN1C(=O)/C(=C/c2ccccn2)SC1=S 40888590 DUPGTCCPFBBVHM-LUAWRHEFSA-N 322.411 2.236 10 10 DECE C[C@@H](CS(C)(=O)=O)N(C)Cc1c(O)ccc2ccccc12 93384458 XOPNXSKVJYIJCD-LBPRGKRZSA-N 307.415 2.410 10 10 DECE C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 248039181 SIFJMSTVDGWJOZ-FRFSOERESA-N 319.401 2.467 10 10 DECE Oc1cc2c(cc1CNC[C@H]1CCN1C1CCCC1)OCO2 527807054 LTCSQYHBUVDQPZ-CQSZACIVSA-N 304.390 2.227 10 10 DECE CCn1nc(C)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 608250335 FLGQAXFRSQSMRD-UHFFFAOYSA-N 314.389 2.317 10 10 DECE CCOc1ccc(O)c(CN2CCN(C(=O)C(C)C)CC2)c1 263999318 MZPSVIIGJFFBKS-UHFFFAOYSA-N 306.406 2.091 10 10 DECE COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 267243315 SHPLNIMBMYMRDR-BPJJOFIESA-N 320.345 2.254 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCN(C)[C@H](C)C2)c1O 278299580 VPCKMIFEARCENU-DGCLKSJQSA-N 323.393 2.224 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)c1ccc(Br)s1 808523218 CTNFGPUSLLIEGK-ZCFIWIBFSA-N 319.176 2.315 10 10 DECE O=C(NCc1cc(Br)ccc1O)c1cncc(O)c1 804738374 NVXKWDXBCYZLJD-UHFFFAOYSA-N 323.146 2.185 10 10 DECE C[C@@H]1CN(Cc2ccc3ccccc3c2O)CCN1CCO 816574840 UEUSJNUBJQNJTO-CQSZACIVSA-N 300.402 2.044 10 10 DECE C[C@@H]1CC[C@@H](O)CN1Cc1cccc(Br)c1O 817415016 QZZSJYRCLAJZGH-MWLCHTKSSA-N 300.196 2.500 10 10 DECE COC(=O)COc1ccc(N(C)CCC[C@@H]2CCOC2)cc1 828217581 FFRVDOODKGGNOA-CQSZACIVSA-N 307.390 2.491 10 10 DECE Cc1cc(Cn2nnn(C3CC3)c2=O)ccc1N1CCCCC1 829607500 ZJECWQVSHDPVNC-UHFFFAOYSA-N 313.405 2.122 10 10 DECE CN(C1(C(F)(F)F)CC1)S(=O)(=O)Cc1ccc(N)cc1 720342078 SKONHCCXWRPFDI-UHFFFAOYSA-N 308.325 2.125 10 10 DECE COC(=O)C(C)(C)CCN[C@H]1CCN(c2ccc(OC)cc2)C1 826846305 SFNVVVFRNBJFBY-AWEZNQCLSA-N 320.433 2.453 10 10 DECE COC(=O)c1cc(OC[C@@H]2C[C@@]23CCOC3)ccc1N(C)C 902616860 IJHBMAJVICTMRN-YVEFUNNKSA-N 305.374 2.345 10 10 DECE CCS(=O)(=O)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 835040417 PCCRKEFBCYOUCE-AFNCTOJWSA-N 310.463 2.179 10 10 DECE CC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1CC(F)F 841298612 RGSKRSLZZPNGLX-ZDUSSCGKSA-N 312.364 2.462 10 10 DECE CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C(C)(C)C 912029979 DCFZLRODCUBDAT-IQIBNGDESA-N 318.417 2.300 10 10 DECE C[C@H](NC[C@]12CCC[C@H]1NCC2)c1cc([N+](=O)[O-])ccc1O 925847429 VONQYYFWCYBBBS-IUIKQTSFSA-N 305.378 2.483 10 10 DECE C[C@H]1CCNC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 841709774 MIMXGMUAALCCAP-YOEHRIQHSA-N 316.449 2.084 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2nccn2C)c1 850571888 DKHJMZIKGMTFSB-QWRGUYRKSA-N 303.362 2.324 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2CCS[C@@H](C)C2)c1O 927245283 JRIIKTHJTDVNKB-CMPLNLGQSA-N 310.419 2.484 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCCc2cncc(C)n2)c1 850549314 FVYQPJCBKJKUNK-LBPRGKRZSA-N 315.373 2.171 10 10 DECE C[C@H](C(=O)c1ccccc1)S(=O)(=O)Cc1ccc(N)cc1 58240192 AMQHNZSSPCGFPU-GFCCVEGCSA-N 303.383 2.455 10 10 DECE O=C(NCc1ccc(O)c(O)c1)C1([C@H]2CCCCO2)CCC1 866769705 ONJWZLUEZNSYSB-OAHLLOKOSA-N 305.374 2.453 10 10 DECE c1cc(N2CCOCC2)ccc1CNCc1cn(C2CC2)cn1 865428620 WWRNTMKWGSVAMC-UHFFFAOYSA-N 312.417 2.344 10 10 DECE CN(C)c1ccc(CNC(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 778314057 FRTZJENKOXNVJH-UHFFFAOYSA-N 323.400 2.411 10 10 DECE C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1F 777999916 LOMSRPMQPBNMRS-BDAKNGLRSA-N 309.297 2.110 10 10 DECE CC(=O)c1cc(F)cc(CN(CCCN)CC(F)(F)F)c1O 883443381 NUHCKHMDTOENEY-UHFFFAOYSA-N 322.302 2.447 10 10 DECE CCN1CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1136181021 YIQZEXMOGHAKJT-QGZVFWFLSA-N 301.434 2.338 10 10 DECE CC(C)[C@@H](NCc1ccc(Br)cc1O)C(=O)O 691415908 VBCHUMQQLMVKAG-LLVKDONJSA-N 302.168 2.354 10 10 DECE O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)nc1F 692849611 RPCDDXKVANBTOM-UHFFFAOYSA-N 302.714 2.381 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F 692891973 HMJLWJVMFVSDJI-SECBINFHSA-N 302.306 2.428 10 10 DECE C[C@@H](O)c1ccc(N2CC3CC2(CO)C3)c(Br)c1 694503651 MBAODSNGXAMWPJ-NAUIOFCNSA-N 312.207 2.464 10 10 DECE CCS(=O)(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1 2123312836 WTSWCYLSDMRPMA-JTQLQIEISA-N 303.811 2.055 10 10 DECE OC[C@H]1C=CCN1c1ccc(CNC2CC2)cc1Br 2119812615 OCWKGVPIRXGVES-CYBMUJFWSA-N 323.234 2.438 10 10 DECE O=C(N=c1cc[nH]cc1O)c1cc2cc(O)c(O)cc2s1 1182626534 JSFIUQJOPYSZOP-UHFFFAOYSA-N 302.311 2.087 10 10 DECE CC1(C)CC[C@@H](O)[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 1332193221 WCDOSJPELFRJDX-FSMZVQOTSA-N 305.374 2.167 10 10 DECE Cn1cc(C(=O)NCc2cccc(O)c2O)c(C2CCCC2)n1 1350315173 LGGZTOLKGHVGIK-UHFFFAOYSA-N 315.373 2.419 10 10 DECE Nc1ccnc(C(=O)NCc2cccc(Br)c2O)c1 1448970370 YLHSPYONYQGRME-UHFFFAOYSA-N 322.162 2.062 10 10 DECE 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DECE CC(C)(C)OC(=O)NC1CC(CNCc2ccc(O)c(O)c2)C1 715082274 TZDKWAPDDDJZKW-UHFFFAOYSA-N 322.405 2.491 10 10 DECE CN[C@H](CNC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C 1959563127 XHBDVLJQLRLZGJ-CQSZACIVSA-N 305.422 2.464 10 10 DECE Cn1cnc2cc(CNC(=O)/C=C\c3ccc(O)c(O)c3)ccc21 1178001689 MBODNSGVFNVPNP-DAXSKMNVSA-N 323.352 2.314 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1 1353435879 MCURPPJEILCTDU-OCCSQVGLSA-N 316.361 2.490 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cnn(-c2ccccc2)c1N 1465844298 MHDMTVWGUVWBCN-UHFFFAOYSA-N 322.368 2.432 10 10 DECE COC(=O)Cc1c(C)n(C)c2cc(F)c(O)c(CN(C)C)c12 139173820 DQKCRZBCDBHYEG-UHFFFAOYSA-N 308.353 2.109 10 10 DECE C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1O 1557966612 JZWRLVGFSXRQAP-BDJLRTHQSA-N 311.337 2.351 10 10 DECE Cc1ccc(O)c(CNC(=O)Cc2cnn(-c3ccccc3)n2)c1 1557553973 SJLVBQSTVYPCCN-UHFFFAOYSA-N 322.368 2.140 10 10 DECE O=C(CCCCCO)NCc1cccc(Br)c1O 1635839395 BVZAVTFWISMRLZ-UHFFFAOYSA-N 316.195 2.324 10 10 DECE COc1cccc(CNC(=O)c2ncn3ccc(C)cc23)c1O 1630366224 MJBMROBJWIIPTC-UHFFFAOYSA-N 311.341 2.287 10 10 DECE CC[C@H](CNC(=O)[C@@H]1CCCO1)NCc1ccc(OC)c(C)c1 1698589576 FWWYPYNOUCFIOJ-WBVHZDCISA-N 320.433 2.167 10 10 DECE CNCc1ccc(N2CC[C@H]([C@@H](C)O)C2)cc1Br 234376890 HKJDQFLXEWILOQ-PWSUYJOCSA-N 313.239 2.376 10 10 DECE CO[C@H]1C[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1979675021 HWMNLPGDTHYNSR-LNSITVRQSA-N 322.405 2.416 10 10 DECE NN[C@@H](c1cc(Br)sn1)c1ccccc1O 1983284646 SLZJOWHQYQWZKJ-SNVBAGLBSA-N 300.181 2.164 10 10 DECE C[C@@H](NC(=O)CCONC(=O)OC(C)(C)C)c1ccccc1O 1989690801 WTKIRVPZMUMQRE-LLVKDONJSA-N 324.377 2.416 10 10 DECE CN(Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1O 305214772 HZMABPMFIJGTSK-GOSISDBHSA-N 314.429 2.317 10 10 DECE CC1CC(NS(=O)(=O)Cc2ccc(N)cc2)(C(F)F)C1 2179947158 QAZPJBBWBTXKQI-UHFFFAOYSA-N 304.362 2.122 10 10 DECE OCc1ccc(N2CCS[C@@H](CO)C2)c(C(F)(F)F)c1 720039499 SULHLEHZZPKSPY-SNVBAGLBSA-N 307.337 2.112 10 10 DECE O=C(C[C@H](NC1CC1)C(F)(F)F)N1Cc2cccc(O)c2C1 2062509448 AHODQBQKGDCAHX-ZDUSSCGKSA-N 314.307 2.307 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@H](C(F)F)C2CCC2)cc1 2197911539 NTALRYOLQVRBBG-LBPRGKRZSA-N 304.362 2.122 10 10 DECE COCCN1CC[C@@H](Nc2c(N)cccc2Br)C1 2041973184 ZDTVJJMDDSVOPA-SNVBAGLBSA-N 314.227 2.164 10 10 DECE CN1CC[C@H]2[C@@H](CCN2c2ccc(CN)c(Br)c2)C1 2114499803 FVFKSXCJNPODJC-WFASDCNBSA-N 324.266 2.438 10 10 DECE C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc(CN)c(Br)c1)C2 2258361050 QRKMSDLDGLWHTP-GNXNZQSNSA-N 311.223 2.115 10 10 DECE CC[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCNC1=O 2273268721 GQJHOGQHODTSJY-ZDUSSCGKSA-N 303.189 2.457 10 10 DECE Cc1ccc(CN2CC(C3(N)CC3)C2)c(O)c1Br 2327791345 ZZYFMVJNDANFRM-UHFFFAOYSA-N 311.223 2.386 10 10 DECE Cc1ccc(O)c(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1 121323674 XRFSYRUWARHJQF-CYBMUJFWSA-N 316.405 2.271 10 10 DECE COC(=O)c1coc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 184458833 SNVAHGAFGYGHBP-UHFFFAOYSA-N 320.320 2.201 10 10 DECE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cc(Br)ccc1F 90258117 LKDHRDBFIBBVCC-SECBINFHSA-N 316.134 2.015 10 10 DECE COC(=O)/C=C\c1ccc(N(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 264892379 GBSIMIFGVNQLQV-RNZFLTOJSA-N 306.318 2.006 10 10 DECE CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 287504636 QJAQQGYXKYKXSK-CALCHBBNSA-N 315.417 2.382 10 10 DECE CN(C)c1ccc([C@H](N)c2ccsc2S(C)(=O)=O)cc1 2163071391 OFDDUUBDLQVFGV-ZDUSSCGKSA-N 310.444 2.266 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC(C3CCOCC3)C2)cc1 800008325 ULJMPDDRAYVOEG-UHFFFAOYSA-N 317.433 2.321 10 10 DECE NC(=O)C1(NC2CC2)CCC(CSc2nccs2)CC1 2167760608 YCFQOHBMIYMBOM-UHFFFAOYSA-N 311.476 2.402 10 10 DECE COC(=O)c1conc1C(C)(C)NCc1ccc2c(c1)CCO2 822534297 CCTCSQLSNKULNI-UHFFFAOYSA-N 316.357 2.421 10 10 DECE CC(C)[C@H](O)[C@@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725399792 KFXMINBCIPYNEN-UWVGGRQHSA-N 319.155 2.080 10 10 DECE CN(C)c1ccc([C@@H](N)CN[C@H]2CCNC23CCCC3)cc1 925693218 QBLGOQLCEZJYIL-IRXDYDNUSA-N 302.466 2.017 10 10 DECE COC(=O)/C(C)=C/CNC(=O)N(C)Cc1ccc(N(C)C)cc1 925034660 DZLFMNXNTJMQNW-JLHYYAGUSA-N 319.405 2.013 10 10 DECE Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CCC3)C2)cc1 850853580 FNTPGADVBCWPSZ-CYBMUJFWSA-N 301.390 2.246 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)C3(O)CCCCC3)C2)cc1 855231081 JGLCAAOGMIAJNX-AWEZNQCLSA-N 318.417 2.085 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CSC3CC3)C2)cc1 855225865 NLRRUPLQMJMDBV-GFCCVEGCSA-N 306.431 2.286 10 10 DECE CCn1cncc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773090525 YHBVJJCSFQXDQT-LBPRGKRZSA-N 322.434 2.009 10 10 DECE COC(=O)CCCCC(=O)N[C@H](C)c1cc(OC)ccc1O 779811920 HRBTXAHRVQTDDI-LLVKDONJSA-N 309.362 2.311 10 10 DECE CN1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 895522848 YAJRTZJAQQZJKV-UHFFFAOYSA-N 306.387 2.137 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1[C@H]2CC[C@H]1[C@H](CO)C2 897803353 LEOPAXXMTHFYBW-DCAQKATOSA-N 319.382 2.298 10 10 DECE Cc1ccccc1OCCN(C)C(=O)Cc1ccc(O)c(O)c1 1136026832 KMRWQIVQOQSFJG-UHFFFAOYSA-N 315.369 2.486 10 10 DECE C[C@@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)cc1Cl 694122671 XYLXZWVHXQBRDF-ZYHUDNBSSA-N 316.854 2.373 10 10 DECE CSCc1cccnc1C(=O)NCc1cc(O)ccc1O 1153884672 FHINOOVJXBIUTE-UHFFFAOYSA-N 304.371 2.286 10 10 DECE O=C(NCc1c(O)cccc1F)NC1Cc2ccccc2C1 1225830132 HBRAWKZJNATDMN-UHFFFAOYSA-N 300.333 2.498 10 10 DECE C[C@@H]1CN(C2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1161494242 LOWXGZFVTKIMIK-LLVKDONJSA-N 315.377 2.158 10 10 DECE Fc1cc(CN[C@H]2C[C@H]3CC[C@H]2O3)cc(F)c1N1CCOCC1 1340119396 VBBYXHKQRXHKEY-UHOFOFEASA-N 324.371 2.211 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2cnc(Cl)cn2)cc1 1298986699 QIZRWYDQUDAEGF-UHFFFAOYSA-N 318.724 2.222 10 10 DECE C[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1O 1454797086 NKXFQLZORQDXHN-GFCCVEGCSA-N 308.341 2.464 10 10 DECE CC(C)(C)OC(=O)NCC[C@@](C)(O)[C@H](N)c1ccccc1O 1920073700 RFYWSALNGLQABQ-CZUORRHYSA-N 310.394 2.058 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C 1716417094 KAPDNORGVOZHBQ-KDOFPFPSSA-N 320.433 2.025 10 10 DECE C[C@H](NC(=O)C1=CS(=O)(=O)CCC1)c1ccc(N(C)C)cc1 1625543558 HJCUQYCRPXLBAJ-LBPRGKRZSA-N 322.430 2.022 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)CC 1764723648 XZZZLJBRNHXGEU-KRWDZBQOSA-N 318.421 2.344 10 10 DECE CC[C@@H]1SC(=S)N(CCC(=O)Nc2nccs2)C1=O 11635790 BJFMGXHEFIIOMV-ZETCQYMHSA-N 315.445 2.111 10 10 DECE CO[C@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964718956 AUCJSNMGFJKIOB-ONGXEEELSA-N 320.172 2.373 10 10 DECE CNCc1ccc(N2CC3(CC(O)C3)C2)c(Br)c1 2029653784 GMXJKLVTNGHWIJ-UHFFFAOYSA-N 311.223 2.130 10 10 DECE Oc1ccc(Br)cc1CNC[C@@H]1COCCCO1 2036451790 DYGXSOKGMYGDGF-GFCCVEGCSA-N 316.195 2.050 10 10 DECE Cc1nc(Cl)c(NC(=O)c2cc(O)nc(O)c2)c(Cl)n1 2178371930 TXFMSCQCGQPCAI-UHFFFAOYSA-N 315.116 2.150 10 10 DECE CCNCc1ccc(N2CCN3CC[C@H]2C3)c(Br)c1 394354165 RHZOOZXTXNMSNW-ZDUSSCGKSA-N 324.266 2.453 10 10 DECE Cn1nc(Br)cc1C(=O)c1cccc2c1NCC2 2045559933 GOQHIKBBUNRGKL-UHFFFAOYSA-N 306.163 2.382 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CN)cc1Cl 2114217739 YSPUYAXRXURTPU-UWVGGRQHSA-N 304.843 2.057 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2219166277 WHLMGGDSCBCZAV-YWVKMMECSA-N 317.202 2.378 10 10 DECE O=C(N=c1c(Cl)c[nH]cc1Cl)c1cc(O)c(O)c(O)c1 2238122175 IADZYUWOJKVQLD-UHFFFAOYSA-N 315.112 2.179 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCC(F)(F)F 2283702352 PAZGYRQMWOHIBM-SQFXPLBJSA-N 308.325 2.297 10 10 DECE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)c1 2297327193 RXJUXDQSCXUYDJ-UHFFFAOYSA-N 322.320 2.367 10 10 DECE CC1=NN(c2ccccc2)C(=O)C1=CNNc1nc(C)cc(C)n1 2297578492 AAXZOGFEXYWGHK-UHFFFAOYSA-N 322.372 2.317 10 10 DECE COC(=O)[C@H](C)CN(Cc1cc([N+](=O)[O-])ccc1O)C1CC1 178575916 RLFNZYXRXBRCNZ-SNVBAGLBSA-N 308.334 2.074 10 10 DECE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@@H]1O 380651641 YLMSQVRAAVTRFJ-SDBXPKJASA-N 317.202 2.254 10 10 DECE CN(CCOCc1ccccc1)CC(=O)c1ccc(O)c(O)c1 384290884 UPCMYARVFSUWSJ-UHFFFAOYSA-N 315.369 2.429 10 10 DECE Cc1nn(CC(=O)Nc2ccc(N)cc2)c(C)c1Br 50226140 AMNUZLGDOYTHGV-UHFFFAOYSA-N 323.194 2.483 10 10 DECE CCOCCN1CCN(Cc2cc(C)cc(OC)c2O)C[C@H]1C 246829799 QENUMRVXQSQWRQ-OAHLLOKOSA-N 322.449 2.252 10 10 DECE CCN(C)c1ccc([C@H](C)NC[C@H](C)N2CCN(C)CC2)cc1 246829442 AJMJWZOLEAEDQH-IRXDYDNUSA-N 318.509 2.429 10 10 DECE COc1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1C)CCO2 255036099 DRAPVGDAOFKRRL-DAXSKMNVSA-N 313.357 2.176 10 10 DECE CN(C)c1ccc(CN(C(=O)NCC2(C)COC2)C2CC2)cc1 264933473 WUXMKIFYHSXGKU-UHFFFAOYSA-N 317.433 2.463 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1 284353831 NLBXPBOSMPGYHF-HWWQOWPSSA-N 311.422 2.209 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC(C[S@](C)=O)C2)c1O 2166649809 FKVBZWZWMZCYFU-FQEVSTJZSA-N 315.822 2.059 10 10 DECE CN(C)c1ccc(CNC(=O)C[C@H](O)Cc2ccccc2)cc1 813375764 XWHPHCSJEHNIOZ-GOSISDBHSA-N 312.413 2.363 10 10 DECE O=C(NCc1ccc(O)cc1O)Nc1ccc(C2CC2)nn1 828060005 VFZUDMVXSBKALB-UHFFFAOYSA-N 300.318 2.087 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1=O 915390203 IWUPYRIATBCYBG-ZDUSSCGKSA-N 315.417 2.190 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)NCc3cnn[nH]3)c2C)c1 748055382 RYZBTVYYQNFIDJ-UHFFFAOYSA-N 309.373 2.451 10 10 DECE Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)cc1 841960195 XFJXIRFKTPHYTF-OAHLLOKOSA-N 310.401 2.405 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN(C2CC2)[C@H]2CCNC2)c1O 843055180 FZWNIZAUPRBXSL-LBPRGKRZSA-N 311.769 2.280 10 10 DECE Cc1ccc([C@@H](C)N[C@H]2CCc3nnn(C)c3C2)c(O)c1C 927143770 HBEWNVUTXBTIJP-OLZOCXBDSA-N 300.406 2.346 10 10 DECE Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 927830812 WYQKUBVYATVGAV-IFXJQAMLSA-N 321.380 2.007 10 10 DECE Cc1cccc(NCCNC(=O)NCc2c(O)cccc2F)n1 927488511 GOTMBNQBILBYCN-UHFFFAOYSA-N 318.352 2.146 10 10 DECE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CNCCO1 852751876 JHTRKKONRQNTBY-DOTOQJQBSA-N 304.434 2.318 10 10 DECE Cc1cc(CN2CCc3c(O)nn(C)c3C2)ccc1N(C)C 931193841 OUPRELDGCIDBBO-UHFFFAOYSA-N 300.406 2.058 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1nc(C)cc1C 935946222 BQSRNMXFUKDEDR-UHFFFAOYSA-N 322.405 2.398 10 10 DECE COc1cnc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1 864572873 BBLBKZQLGLIKPM-UHFFFAOYSA-N 303.337 2.225 10 10 DECE C[C@@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1 861568027 NILQMDOGKSJCDA-CZUORRHYSA-N 316.449 2.009 10 10 DECE COC(=O)c1cc(OCc2nnc(C3CC3)o2)ccc1N(C)C 865395842 DDRPRCNZLNMAHF-UHFFFAOYSA-N 317.345 2.379 10 10 DECE O=C(c1cc(O)cs1)N1CC[C@H](OCCN2CCCCC2)C1 771633713 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10 10 DECE CCCN(CCC)c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1 840976865 YSDUQFJOTYIQKI-IEBWSBKVSA-N 320.477 2.488 10 10 DECE CCCOc1nc2ccccc2cc1C(=O)OCC(=O)C(C)=O 924212072 SEKPUBDNUJEEFE-UHFFFAOYSA-N 315.325 2.339 10 10 DECE CC1(C)Cc2n[nH]cc2CN(C(=O)c2cccc(O)c2O)C1 852980165 MJIMZIOCVUJAHF-UHFFFAOYSA-N 301.346 2.046 10 10 DECE OCC1(N(Cc2ccc(N3CCOCC3)cc2)C2CC2)CCC1 930693111 YXBDCHBPOQIOFX-UHFFFAOYSA-N 316.445 2.403 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CCCn3nccc32)cc1 866183036 LLXOQUVRVSDQMK-HNNXBMFYSA-N 313.405 2.283 10 10 DECE Nc1ccc(NC(=O)C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 861514856 VJTZMXGOILWBRK-MRXNPFEDSA-N 324.384 2.260 10 10 DECE C[C@H](OCC1CC1)C(=O)NCc1ccc2cccnc2c1O 862028353 WHLHBDWRVLHFCJ-NSHDSACASA-N 300.358 2.372 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCCC12CC2 865314191 OJWRTCHWUVWPQN-CQSZACIVSA-N 300.358 2.489 10 10 DECE CN(C)c1nccc2c1CN(C(=O)c1cc(O)cs1)CC2 1123990695 XSWMRHCMUCKOPJ-UHFFFAOYSA-N 303.387 2.113 10 10 DECE C[C@H]1CO[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 895772603 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N[C@H](c1c(Br)ccc(Cl)c1O)C(F)(F)CO 95706531 AITPKSOUSYLDPR-MRVPVSSYSA-N 316.529 2.436 10 10 DECE CCN[C@@H]1C(=O)Nc2cc(N3CCO[C@H](C)C3)c(Cl)cc21 92749854 QDFIXBDAPLUXHI-OTYXRUKQSA-N 309.797 2.168 10 10 DECE C=CC(=O)NCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 269401073 BQGCRNYDEIJPFY-UHFFFAOYSA-N 317.433 2.182 10 10 DECE COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]3C)CC2)cc1F 805867177 ZEWPDGRGGUGXOU-SWLSCSKDSA-N 321.396 2.464 10 10 DECE CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCCC23OCCO3)cc1 716041052 NNPAGKDCBGIKDY-JCVNQNCUSA-N 316.401 2.178 10 10 DECE Cc1[nH]nc(Cl)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907271641 BRSIKMYNEWZSIN-ZETCQYMHSA-N 309.753 2.144 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1 907060964 RDEMSGBUJWJOKX-WNMQOVRZSA-N 305.374 2.393 10 10 DECE C[C@H](F)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 836247691 CLYAWJNGFPVDLF-ZDUSSCGKSA-N 309.385 2.071 10 10 DECE COC(=O)/C(C)=C\CN(Cc1ccccc1O)C[C@H]1CCCO1 748817842 PHBFFFURJJUMKS-IHWMJMDHSA-N 319.401 2.493 10 10 DECE 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CO[C@@H](CNCc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 850342089 HNFHCTXOMMKDJL-RNCFNFMXSA-N 303.761 2.326 10 10 DECE COc1ccc(CNC(=O)NCC[C@@H]2CC2(F)F)c(O)c1 856880908 FAWXNFSJBPBBMY-SNVBAGLBSA-N 300.305 2.245 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cc1 855223066 BPWXKYZJQADWQS-CABZTGNLSA-N 320.286 2.291 10 10 DECE COC(=O)[C@]12C[C@H]1CCCN2Cc1cc(F)cc(C(C)=O)c1O 933159558 YMJCQGDSYNPYHZ-PXAZEXFGSA-N 321.348 2.261 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCC(C)(C)O2)c1O 775091041 VSCOFJYBZCLGPC-LLVKDONJSA-N 310.350 2.356 10 10 DECE CO[C@@H](CCNCc1cc2c(cc1O)OCO2)C(F)(F)F 786823305 JRGAQRPBXBECQO-LBPRGKRZSA-N 307.268 2.178 10 10 DECE CCOC(=O)C1=CC[C@H](NCc2cc(C)cc(OC)c2O)C1 895394178 VZVKWVSFHQCEQV-AWEZNQCLSA-N 305.374 2.451 10 10 DECE C[C@@H](N)c1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694152753 WWRLZKQZBGTUHT-SNVBAGLBSA-N 304.843 2.231 10 10 DECE CCNCc1ccc(OC)c(CSCCS(C)(=O)=O)c1 81768682 VMRNHIXOAYABHC-UHFFFAOYSA-N 317.476 2.083 10 10 DECE O=S(=O)(CCc1ccccn1)Nc1ccc(O)c(Cl)c1 70333920 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Cc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n[nH]1 189019026 FAOHZIYTGQJLTI-UHFFFAOYSA-N 306.797 2.399 10 10 DECE CC(=O)N1CCc2cc(N3CCN(c4ccccn4)CC3)ccc21 71702452 WPXQSSKVOLIPAV-UHFFFAOYSA-N 322.412 2.317 10 10 DECE CC(C)CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 180876015 CHZGJSUFXRVFMY-PMGBHYCQSA-N 318.417 2.348 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)cc1 190476322 ZETCIRBVISNRFF-RHSMWYFYSA-N 318.417 2.159 10 10 DECE O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1 193464322 JHBMPBPZCADBLK-UHFFFAOYSA-N 300.317 2.163 10 10 DECE CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(C(N)=O)cc1 255673465 FUPNZFMWTJEPDG-FLIBITNWSA-N 310.353 2.163 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2ccnn2C)c1 817550165 SJTBRAGNXDZLGF-MNOVXSKESA-N 303.362 2.115 10 10 DECE COc1cccc(O)c1[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1952757128 MNJWTEFSCLUVCE-ABKXIKBNSA-N 323.345 2.225 10 10 DECE O=[S@](CCNCc1cccc(Cl)c1O)CC(F)(F)F 826868660 UVWYINFOOSLSPS-LJQANCHMSA-N 315.744 2.446 10 10 DECE Cc1cc(O)c(CN2CC[C@H](Cn3ccnn3)C2)cc1Cl 826853693 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10 10 DECE CCc1nnc(SC[C@H](O)COc2ccc(N)cc2)s1 699319661 SVTQOJNHVZSTKH-SNVBAGLBSA-N 311.432 2.215 10 10 DECE C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2ncnc21)c1ccccc1O 868763715 CPTYZVMJALXTEH-JBLDHEPKSA-N 301.350 2.050 10 10 DECE Cc1cnc(CCN(C)Cc2cc3c(cc2O)OC[C@H]3O)s1 768466240 WBWOOFVLWRJSOE-CQSZACIVSA-N 320.414 2.257 10 10 DECE CN(C)CCCCC(=O)NCc1ccc2cccnc2c1O 862028345 VXHAQDCDWCOIMG-UHFFFAOYSA-N 301.390 2.289 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)c1ccccc1 779529144 QSTZZLYQWFCXAK-LOWQCSRCSA-N 313.353 2.003 10 10 DECE C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1ccc(O)c(O)c1 1137443632 XAHXRELLDZLZJG-QLJPJBMISA-N 319.332 2.018 10 10 DECE OC[C@@H]1CCC[C@H]1NCc1c(O)cccc1Br 706843234 PBFDBISAOOXLAL-JOYOIKCWSA-N 300.196 2.405 10 10 DECE O=C(N[C@@H]1COCc2ccccc21)c1c(F)ccc(O)c1O 1183720319 HYYLDBYQHPWQMH-GFCCVEGCSA-N 303.289 2.238 10 10 DECE Oc1c(CN2C[C@@H](O)CC3(CCOCC3)C2)ccc(F)c1F 1338310744 TVDLBCZATRCJDF-LBPRGKRZSA-N 313.344 2.034 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](OC)C(C)C)cc1C 1274906702 KVRKXWAZRCYNLK-PBHICJAKSA-N 322.449 2.269 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C=O)s1 1611431461 NWTUJKZLABEQPX-SECBINFHSA-N 305.355 2.333 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](O)([C@@H](N)c2ccccc2O)C1 1921852422 OWGADNGWBHJKAP-WHCBVINPSA-N 322.405 2.200 10 10 DECE CCN1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1192159 CGNHAJMGLKGCOB-ZHACJKMWSA-N 304.396 2.254 10 10 DECE CN(Cc1cccc(N(C)C)c1)C(=O)Cc1ccc(O)c(O)c1 1622298837 SFHYTZPQHWGJKH-UHFFFAOYSA-N 314.385 2.365 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cccnc2-n2cccn2)c1 1629736964 NZQVINSAQRQLOU-UHFFFAOYSA-N 308.341 2.211 10 10 DECE CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885562336 DRJJTVAOUODUQK-VIFPVBQESA-N 317.415 2.059 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCSC[C@H]3C)c(Cl)cc21 252610170 ULWNCYJVHNEVCP-AMIZOPFISA-N 311.838 2.494 10 10 DECE Cc1ccc([C@H](C)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(O)c1 1985856775 IJIZORXPPDTMOX-STQMWFEESA-N 324.421 2.237 10 10 DECE NCC[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 723686766 ZIVHZWDYEDXNSF-SECBINFHSA-N 317.202 2.465 10 10 DECE CC(C)(C)OC(=O)c1ccnn1Cc1c(O)cc(O)cc1O 2069972741 GLQFFOSBHQBDCB-UHFFFAOYSA-N 306.318 2.004 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(F)c1 2170655401 CRPHWGGCGQUALC-DCAQKATOSA-N 303.399 2.137 10 10 DECE CN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC[C@@H]1COC 2183649194 BOZYNVDPUGXWLB-GIPNMCIBSA-N 316.448 2.093 10 10 DECE CN(C[C@H]1OCC[C@@H]1F)c1ccc(CN)c(Br)c1 2058680610 QMWFSNGVUNSYSV-QWHCGFSZSA-N 317.202 2.471 10 10 DECE CC12CC(C1)N(c1cc3c(cc1Br)[C@H](N)C(=O)N3)C2 2097127042 BOMFXFIKHIGWFC-XUTOFBKGSA-N 322.206 2.390 10 10 DECE CSc1ncc(CNC(=O)C(C)(C)[C@@H](N)C(C)C)s1 2269193631 NJTGRLMBYCQLOI-JTQLQIEISA-N 301.481 2.491 10 10 DECE Cn1cnc(Br)c1C(=O)NCC1(CN=[N+]=[N-])CC1 2315662817 HMIMAZHKEXOJOP-UHFFFAOYSA-N 313.159 2.003 10 10 DECE CSc1ncc(CN[C@@]2(C(=O)O)CCCSC2)s1 2322102026 VEMSBNLRVJBTIJ-NSHDSACASA-N 304.462 2.305 10 10 DECE O=S1(=O)CCC[C@H](NCc2c(O)ccc3ccccc23)C1 69141408 ZJLJINXKPJTTNV-ZDUSSCGKSA-N 305.399 2.212 10 10 DECE CCN(C)c1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 33403727 JIVSKNYRSUIEQG-TWGQIWQCSA-N 316.317 2.010 10 10 DECE CN(CC1(CO)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 186954018 ATJGGCRVEMLFIM-UHFFFAOYSA-N 317.433 2.201 10 10 DECE CS(=O)(=O)c1ccc(NCCOc2ccc(N)cc2)cc1 38079669 FBTNVBQVZOYNTH-UHFFFAOYSA-N 306.387 2.163 10 10 DECE CO[C@H](C)[C@H](C)NC(=O)NCCCSc1nccs1 190249335 MOZRYQFKTXMYSY-VHSXEESVSA-N 303.453 2.348 10 10 DECE CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccccc2O)C1 246526543 UPXWHXPYARSIPL-DZGCQCFKSA-N 305.422 2.262 10 10 DECE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nccs1 255299382 HXPKFNGHQFBAGH-SECBINFHSA-N 308.432 2.463 10 10 DECE CCOC(=O)C1(COC)CCN(Cc2cccc(C)c2O)CC1 373487621 CRZSJKRFRDOGNP-UHFFFAOYSA-N 321.417 2.492 10 10 DECE COc1cccc(O)c1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O 801734725 JUDGGQJMJVJKSS-SUMWQHHRSA-N 321.417 2.058 10 10 DECE CC(C)C[C@@H](CO)N(C)Cc1ccc(N2CCOCC2)cc1 809767612 PFHXRHGVRNNXJA-SFHVURJKSA-N 306.450 2.362 10 10 DECE CN(CC=C[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1952711971 VKSAAIIPVJPUGY-CYBMUJFWSA-N 322.405 2.391 10 10 DECE COc1cc(Cl)cc(CN(CCO)[C@@H]2CCO[C@H]2C)c1O 825130253 QQULGZMDNBVHAM-GXFFZTMASA-N 315.797 2.026 10 10 DECE COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@H](N)C1 903981386 CPQQQTPXRFFRHV-GHMZBOCLSA-N 304.312 2.112 10 10 DECE CO[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CCCC1 831931544 QZBVXIGJPUEWCC-BDJLRTHQSA-N 307.390 2.350 10 10 DECE Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccnnc1 669369677 DUNYURGQGGYWMR-SDQBBNPISA-N 316.411 2.373 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@H](C)C1(S(C)(=O)=O)CC1 840947501 WYOZPVGUJFADJI-CYBMUJFWSA-N 310.463 2.116 10 10 DECE CCc1nccn1[C@H](C)CC(=O)NCc1cc(OC)ccc1O 843832243 VBWXBQWFGQBCDS-GFCCVEGCSA-N 317.389 2.427 10 10 DECE CC(C)(C)c1cc(O)c(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 844739689 BDWKHKZTDAGRSH-BYVOGVQKSA-N 309.431 2.101 10 10 DECE CCCN(CCC)c1ccc(CN2CCOC3(CNC3)C2)cc1 853250423 ZNIWQBGSERNYHE-UHFFFAOYSA-N 317.477 2.487 10 10 DECE CC[C@@H](NC[C@@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 927132912 OPXCQGCSCTYWDC-NVXWUHKLSA-N 302.422 2.260 10 10 DECE C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)c2nccn21 922743487 JLHKKPSHBHHFDI-CABZTGNLSA-N 304.325 2.233 10 10 DECE CCc1nc([C@H](C)N2CCN(c3ccc(OC)cc3)CC2)n[nH]1 851714776 WCTWGFWMCAZSSW-ZDUSSCGKSA-N 315.421 2.259 10 10 DECE COC(=O)N1CCC[C@H]([C@H](C)NCc2cccc(OC)c2O)C1 775347761 FZKIDKQIWMWFHS-JSGCOSHPSA-N 322.405 2.357 10 10 DECE COc1cc(Br)cc(CN[C@@]23COC[C@@H]2C3)c1O 886201678 NIXFFNHVSCAXLH-ZANVPECISA-N 314.179 2.042 10 10 DECE CNC(=O)[C@@H](NCc1cccc(Br)c1O)C(C)C 785589417 OTVVKDNKFYHYSI-NSHDSACASA-N 315.211 2.015 10 10 DECE O=C(NCC[C@@H](O)C(F)F)c1cc2cc(O)c(O)cc2s1 899162268 YOXSMNICSBUOTB-SSDOTTSWSA-N 317.313 2.058 10 10 DECE COC(=O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1 792533452 AHPUCQAZWLDAOV-ALCCZGGFSA-N 319.357 2.103 10 10 DECE COC[C@H](CCNCc1c(O)cccc1Br)OC 706842496 RWASNQLDVUJJTK-JTQLQIEISA-N 318.211 2.296 10 10 DECE C[C@@H](N)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(F)c1 713992520 PTXDJEHZBUCJCP-SNVBAGLBSA-N 302.415 2.105 10 10 DECE COc1ccc(CC(=O)NCc2c(O)cccc2O)cc1F 1156880811 BWGUQEBJOVWHOB-UHFFFAOYSA-N 305.305 2.104 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc(-c2cnc[nH]2)cc1 1303225957 UTTCROZUIAHSGJ-UHFFFAOYSA-N 309.325 2.418 10 10 DECE O=C(Nc1ccn(CC(F)(F)F)n1)c1c(F)ccc(O)c1O 1161027826 UDVSAKVGFOKQSA-UHFFFAOYSA-N 319.214 2.248 10 10 DECE CNc1ncnc(N(C)Cc2ccc(N)cc2)c1Br 2117169013 NFOYCXJKBXKTBD-UHFFFAOYSA-N 322.210 2.499 10 10 DECE OCc1cc(CNCc2cc(Cl)cc(Cl)c2O)[nH]n1 2120114644 WRNCRAGAJOZLQF-UHFFFAOYSA-N 302.161 2.204 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1F 1330044628 FTOPRZQRNFBEFY-ZIAGYGMSSA-N 321.396 2.070 10 10 DECE CS(=O)(=O)CC1(CN2CCCC[C@@H](CN=[N+]=[N-])C2)CC1 1912159289 GEXOLBLTPSILPJ-LBPRGKRZSA-N 300.428 2.224 10 10 DECE COCCN(CCOC)c1ccc(CNC(C)C)cc1OC 212658214 DQIORZVGJOMFBN-UHFFFAOYSA-N 310.438 2.292 10 10 DECE CCOC(=O)[C@@]1(C)CN(Cc2ccc(N(C)C)c(C)c2)CCO1 1473731785 GLEVMRJFZWPCHR-GOSISDBHSA-N 320.433 2.215 10 10 DECE C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1O 1471195914 RAMHJOWZDHGAQW-GFCCVEGCSA-N 308.341 2.464 10 10 DECE COc1cc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])cc1OC 1611975381 HDPDEAFHYHUYIF-UHFFFAOYSA-N 321.377 2.287 10 10 DECE C/C(=C/C(=O)NCc1ccc2cccnc2c1O)c1cnccn1 1638573403 VUPRKPYQWNIJNF-XFXZXTDPSA-N 320.352 2.450 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc(CO)cc2)cc1F 1631438714 XOTOWKUTPCBUQO-UHFFFAOYSA-N 302.349 2.314 10 10 DECE C[C@@H](NC(=O)c1ccc2nc(CO)[nH]c2c1)c1ccccc1O 1648889787 LUOWGTQKVTVEEL-SNVBAGLBSA-N 311.341 2.252 10 10 DECE COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1F 1586770626 AAFXRSOXLXRKEO-UHFFFAOYSA-N 319.288 2.205 10 10 DECE COc1ccc(CNCCCN(C)C(=O)[C@H]2CCCO2)cc1C 1670008561 JHCAUVDKUOKOID-QGZVFWFLSA-N 320.433 2.121 10 10 DECE COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1[N+](=O)[O-] 316821680 CKCCVRZXFOILHL-UHFFFAOYSA-N 301.302 2.367 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@@H](O)C2)c(Br)c1 234375630 CVGOCHQYWKTDTI-HZMBPMFUSA-N 313.239 2.376 10 10 DECE CC(C)(C)OC(=O)[C@@H](N)c1c(O)cccc1Br 1951409731 JUOKUNSVLKAVQB-JTQLQIEISA-N 302.168 2.496 10 10 DECE COc1ccc(Br)c(CN[C@@H](C)C(C)(C)O)c1O 1969141257 ICZYROKRYNLTJZ-QMMMGPOBSA-N 318.211 2.412 10 10 DECE CN(c1ccc(N)cc1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O 1979131628 IXEOSRNLCAVGMZ-CFVMTHIKSA-N 321.421 2.122 10 10 DECE CN(Cc1cnsc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2150306416 CGDUFGPROFOCDV-GFCCVEGCSA-N 308.794 2.385 10 10 DECE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1C(F)(F)F 2158615014 BRNVALKEUNEFPU-QWRGUYRKSA-N 308.325 2.029 10 10 DECE C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1CO 709373822 LCTFQTHXDXKUDL-WPRPVWTQSA-N 317.202 2.112 10 10 DECE C[C@@H](N)c1ccc(N2CC(CN(C)C)C2)cc1Br 382325345 CODOOXBSWBPWLF-SNVBAGLBSA-N 312.255 2.467 10 10 DECE C[C@@H]1[C@@H](CO)CCN1c1ccc(CN)c(Br)c1F 395095126 BUNTXBUSCGOQDV-PSASIEDQSA-N 317.202 2.254 10 10 DECE N[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2188786159 DCRGOCZDUGFESQ-MWLCHTKSSA-N 319.188 2.075 10 10 DECE O=C(O)[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CCO1 2194361465 WRDCXJWOEKSHRA-GXSJLCMTSA-N 320.172 2.421 10 10 DECE CN1C[C@@H]2C[C@H](C1)CN2c1ccc(CN)cc1Br 2042534724 QVKIJFOVJAOMQL-NEPJUHHUSA-N 310.239 2.048 10 10 DECE CSc1ncc(CNc2ncc(C)nc2C(N)=S)s1 2269248508 DLUJEJDBFGRIQZ-UHFFFAOYSA-N 311.461 2.210 10 10 DECE CSc1ncc(CNC[C@H]2C[C@H](N)CC(C)(C)O2)s1 2269316756 IHWRRYUFHDHEEX-VHSXEESVSA-N 301.481 2.240 10 10 DECE CSc1ncc(CNC2C[C@@H]3CC[C@H](C2)S3(=O)=O)s1 2208789055 UDXKNZSREGNWLP-UQPYNNQESA-N 318.489 2.063 10 10 DECE CSc1ncc(CNc2cc(NN)nc(C3CC3)n2)s1 2284730657 ZVUQZCXEPUWBJN-UHFFFAOYSA-N 308.436 2.430 10 10 DECE C[C@](O)(CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccccc1 2307987257 NGODOMPZYILOIJ-SFHVURJKSA-N 313.353 2.135 10 10 DECE CC(C)(C)n1cc(C=C2SC(N3CCCCC3)=NC2=O)nn1 2311527242 HKPFMTIYDJFJBX-UHFFFAOYSA-N 319.434 2.489 10 10 DECE Cc1ccc(CN=c2ccnc(F)[nH]2)c(O)c1Br 2327797348 UYHFLJCJVVDDHQ-UHFFFAOYSA-N 312.142 2.426 10 10 DECE C[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)cc1 189340518 ZFMRASDOMVQXNK-DAYGRLMNSA-N 304.434 2.335 10 10 DECE OC[C@H]1CCC[C@H]1NCc1cc(Br)ccc1O 230680437 WZYZPIQYJCOGKG-BXKDBHETSA-N 300.196 2.405 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@](C)(Cc2ccc(O)c(O)c2)C1 1952077034 VDALOQSMFKYPNY-QGZVFWFLSA-N 322.405 2.239 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)n1cc(Br)cn1 38054027 MULITYCJSYDRGC-MRVPVSSYSA-N 309.167 2.428 10 10 DECE C[C@@H](CN1CCCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 185430544 BIICTUKBRBZBRG-KGXGESDWSA-N 318.417 2.492 10 10 DECE C[C@H](Nc1ccc(CS(N)(=O)=O)cc1)c1ccccc1O 37137139 TXXPBJDNBILQHE-NSHDSACASA-N 306.387 2.354 10 10 DECE C[C@@H]1CCC[C@@H](CS(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])O1 2364100425 IZKVPXZNUNJCMH-NOOOWODRSA-N 302.400 2.095 10 10 DECE COCCN(C(=O)CCc1ccc(N)cc1)[C@H]1CCSC1 40325230 RHYGPNKPNPINSX-HNNXBMFYSA-N 308.447 2.182 10 10 DECE Cc1cc(CO)oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 283059764 UAEJPPKYUJZQOD-UHFFFAOYSA-N 302.374 2.419 10 10 DECE CC1(C)[C@@H](O)CCN1Cc1cc(Br)ccc1O 812779438 QPRGUWZOLVLVOI-LBPRGKRZSA-N 300.196 2.500 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 827133664 WAYFTNBQPNVZGO-WTNGUMASSA-N 313.445 2.366 10 10 DECE COc1ccc(N2CCN(C[C@@H]3CC[C@H](N)C3)CC2)cc1F 903446364 VTGJUKYPCRFSGK-KGLIPLIRSA-N 307.413 2.084 10 10 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10 DECE O=S1(=O)[C@H]2CC[C@H]1CN(Cc1cc3c(cc1O)CCC3)CC2 530109221 YISQJDBWKXGUMN-HOTGVXAUSA-N 321.442 2.032 10 10 DECE CN(CC[S@](C)=O)c1ccc(/C=C/C(=O)O)c(Cl)c1 398798662 AHUVOOXVFXLNOU-OQBYNLHGSA-N 301.795 2.253 10 10 DECE Cc1nn(C)cc1CN1CCOc2ccc(N(C)C)cc2C1 575540844 FKZNXTNIYKCNIP-UHFFFAOYSA-N 300.406 2.189 10 10 DECE CN(C)c1ccc(CNC[C@@H](O)c2ccc(F)cn2)cc1F 818984743 FTAWMJGWEYESBH-MRXNPFEDSA-N 307.344 2.249 10 10 DECE Cn1cc(CNC(=O)Nc2ccc(N)cc2)c(Br)n1 720696722 GWWCQBWERHNACV-UHFFFAOYSA-N 324.182 2.087 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 901935338 ZXWXHQLCMULXNT-HUUCEWRRSA-N 304.390 2.260 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 902554971 XNDXHOQQBNEION-RIPDXSTKSA-N 300.402 2.418 10 10 DECE C[C@@H](CN1CCOCC1)NC/C=C/c1ccc(N(C)C)cc1 835035763 LXNIAVIGTCNIIC-APHBUQMISA-N 303.450 2.076 10 10 DECE O=C(/C=C/C1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 837707642 NZRBJEQLQXNNRN-ONEGZZNKSA-N 322.355 2.384 10 10 DECE COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C)c(O)c1O 844008584 LEWRMMFLWKSACZ-NSHDSACASA-N 309.362 2.114 10 10 DECE CN(C)c1ccc(CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)cc1 852492676 VICRJJWLDGEYKO-SFHVURJKSA-N 320.433 2.343 10 10 DECE COc1ccc(N2CC[C@H](Nc3ccc4nnc(C)n4n3)C2)cc1 853759476 VEJPXCKEAUSWSH-ZDUSSCGKSA-N 324.388 2.132 10 10 DECE CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccnn2C)cc1 858434661 MJJVRGPYGOJHOY-CJNGLKHVSA-N 302.422 2.260 10 10 DECE CN(CCOC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C 758560166 VIQVIAHCWGVCOB-UHFFFAOYSA-N 311.334 2.122 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@]12C[C@H]1COC21CCC1 923037207 OCGCLDWCSVTCOX-QFBILLFUSA-N 314.429 2.324 10 10 DECE COC(=O)c1oc(C(=O)NCc2cc(C)ccc2O)cc1C 862754167 SMCZEAWXIKOMDC-UHFFFAOYSA-N 303.314 2.319 10 10 DECE COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1ccc(N(C)C)cc1 862516487 SEVVQDFWULFXRM-RDJZCZTQSA-N 320.433 2.201 10 10 DECE CC[C@@H](NCCC1CS(=O)(=O)C1)c1ccc(N(C)C)cc1 786950760 QIMLHKRMEKTWLS-MRXNPFEDSA-N 310.463 2.228 10 10 DECE Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)n1-c1ccc(F)cc1 882337666 YTZOLPYVBPCULL-UGSOOPFHSA-N 314.360 2.440 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1cncc(F)c1 85205178 YSUAEKDOGVGQBM-UHFFFAOYSA-N 302.714 2.381 10 10 DECE C[C@@](O)(CNCc1cccc(Br)c1O)C(F)F 698644238 YUTFPXLLJNXSRD-LLVKDONJSA-N 310.138 2.260 10 10 DECE NCc1cc(F)c(N2CCC3(C2)CC2(C3)OCCO2)c(F)c1 1917292558 IWBWMZLRXMYTRV-UHFFFAOYSA-N 310.344 2.157 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 1466188943 HYVLAYGCYDDVPL-LLVKDONJSA-N 304.350 2.084 10 10 DECE COc1cccc(CNC(=O)Cc2ccc(O)c(F)c2)c1O 1636061068 DFTBKIOKDMEVRI-UHFFFAOYSA-N 305.305 2.104 10 10 DECE C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1O 1642827538 KOGFIJSTCIHGDY-GFCCVEGCSA-N 308.341 2.464 10 10 DECE O=C1/C(=C/c2ccccn2)SC(=S)N1C[C@H]1CCCO1 12544085 UNCJSBXAVQDULX-HQQGHWSLSA-N 306.412 2.462 10 10 DECE Cc1cc(C(N)=O)c(NC(=O)[C@H](C)Oc2ccc(N)cc2)s1 1860083326 LQABOBBKSFNBKN-VIFPVBQESA-N 319.386 2.144 10 10 DECE Cc1cccc(CN[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O 1937553856 CKZKDLDCUDTIOY-KGLIPLIRSA-N 322.405 2.082 10 10 DECE CC[C@H](N)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951694320 GKYZMRZIBQFWRS-RYUDHWBXSA-N 310.394 2.271 10 10 DECE Nc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 20327237 AISLOOIKRQEKEP-UHFFFAOYSA-N 323.352 2.284 10 10 DECE C[C@H]1CCN(Cc2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1977898231 VXLXCCQSINKCBR-GWCFXTLKSA-N 315.339 2.158 10 10 DECE CN(CCOCc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088747 HUWPZIUYSNQGCO-UHFFFAOYSA-N 317.341 2.092 10 10 DECE CC[C@H](CCCN1CCC[C@H](CN=[N+]=[N-])C1)S(=O)(=O)O 2155493917 BZIOWRWLGUCRCE-VXGBXAGGSA-N 304.416 2.455 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 403621412 BGEGKIKKSQMDMU-SECBINFHSA-N 302.306 2.428 10 10 DECE C[C@@H]1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)[C@@H]1C 706743098 ISCZBJSYYCYLLU-NQYJQULFSA-N 310.195 2.246 10 10 DECE C[C@@H]1CC[C@H](O)CN1c1ccc(CN)c(Br)c1F 399339752 RTGMXRKHPYEZHA-SCZZXKLOSA-N 317.202 2.397 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c2n1 2063906720 QETXVWICJAXKFR-JTQLQIEISA-N 316.283 2.060 10 10 DECE CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(O)c(O)c2)C1 2065006866 LLBBWPPSEAEEHN-NSHDSACASA-N 306.362 2.075 10 10 DECE [N-]=[N+]=NCC1(CNS(=O)(=O)C[C@@H]2C[C@@H]2C(F)(F)F)CC1 2174354405 GXVFNQRAXVBSDH-YUMQZZPRSA-N 312.317 2.195 10 10 DECE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Cl 2170270776 CMDFFMQFUDOXBC-AXFHLTTASA-N 316.854 2.372 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2CCNC[C@H]21 2185530443 UKZXDXHMRCCUPE-CHWSQXEVSA-N 317.216 2.262 10 10 DECE C[C@@H]1CC[C@@H](C2OCCO2)N(CCOc2ccc(N)cc2)C1 2095717204 WPVHYTSEZMZPPL-CJNGLKHVSA-N 306.406 2.121 10 10 DECE CC[C@H](C)[C@@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284544158 MRGJDCIVQDFRCU-IONNQARKSA-N 317.436 2.164 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC(n3ccnc3)CC2)c1 171943011 GFTQXRPHQVZQJY-UHFFFAOYSA-N 302.334 2.334 10 10 DECE CN(C)[C@H]1CCCN(c2ccc(CN)cc2Br)C1 212880133 GOTPHCSAGORVNF-LBPRGKRZSA-N 312.255 2.438 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cncc(F)c1 186399296 BYLDFCYRAPOKBO-NSHDSACASA-N 318.348 2.312 10 10 DECE COc1cc(O)c(CNC[C@H](C)Cn2ccnc2)cc1OC 181164959 IUPHPEUEZNLNIO-LBPRGKRZSA-N 305.378 2.032 10 10 DECE C[C@@H](NCC(=O)NCc1ccccc1)c1c(O)cccc1O 381843809 VHVVDQWJGRKZNG-GFCCVEGCSA-N 300.358 2.065 10 10 DECE CCN(CC(N)=O)[C@@H](C)c1cc(Br)ccc1O 231829992 BXMCDKNMNOICIL-QMMMGPOBSA-N 301.184 2.023 10 10 DECE COc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c(O)c1 92091069 WARVGGXAQMLKNC-AWEZNQCLSA-N 320.433 2.086 10 10 DECE CO[C@@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 291377410 DVCDUGINWMQYAH-SIEMXDPISA-N 318.417 2.076 10 10 DECE COc1ccc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)O)cc1C 901931693 XLXIEUXTHPUVQT-GJZGRUSLSA-N 307.390 2.363 10 10 DECE CCOC(=O)COCCN1CCCc2cc(OC)cc(OC)c21 839655478 PNBNEAQIENKVQK-UHFFFAOYSA-N 323.389 2.036 10 10 DECE CN(C)c1ccc(/C=C/CNCCN2CCOCC2(C)C)cc1 835043308 SFROHVKSRHUJGY-AATRIKPKSA-N 317.477 2.466 10 10 DECE C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc(O)cs2)C1 839789420 WFPXCFUPCUJWKW-VIFPVBQESA-N 322.352 2.410 10 10 DECE COC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 841955738 LMBJKXPCOFSQAF-HNNXBMFYSA-N 305.422 2.269 10 10 DECE COC[C@H](C)OC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 866606438 YMSFOHAVOKZUFQ-UONOGXRCSA-N 322.405 2.345 10 10 DECE C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccnn1C 865837811 AWDPPTJFHJGKMN-HNNXBMFYSA-N 313.449 2.023 10 10 DECE CCOc1ccc(O)c(CN2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)c1 863653518 MJEGNSYOMVYOGY-WBQNTZJQSA-N 302.418 2.221 10 10 DECE CCOC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1957877992 ZSEJSOSRALGQOD-TZMCWYRMSA-N 310.394 2.322 10 10 DECE Cc1nccnc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 1133286340 IPPXELVDVNWQLG-BQYQJAHWSA-N 305.341 2.404 10 10 DECE CCOc1cccc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1O 895722623 YAWOLOLSNWRHMH-HNNXBMFYSA-N 321.417 2.154 10 10 DECE COCC[C@@H](COC)Nc1c(N)cccc1Br 697474170 BWWXLPHGNQLFTE-VIFPVBQESA-N 303.200 2.495 10 10 DECE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C(N)=O)c1ccc(O)c(O)c1 698966457 SUMBWQFQRDCVBZ-CYBMUJFWSA-N 322.361 2.024 10 10 DECE CN1CCC(C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1152028617 STLQLKZVKNKNCK-UHFFFAOYSA-N 317.393 2.311 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc[n+]([O-])c1 1345434567 YMPBVFXIUKUCDO-UHFFFAOYSA-N 312.373 2.242 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 1352658681 XINNSAHSPGKJGE-IBHVXFMWSA-N 311.381 2.108 10 10 DECE COc1cc(C)cc(CNC(=O)c2c(F)ccc(O)c2O)c1 1457717628 BCQCFBYUQFXCKW-UHFFFAOYSA-N 305.305 2.484 10 10 DECE Cc1cccc2nc(CCNC(=O)c3cc(O)cs3)cn12 1469717305 RMGHCAKFECFULA-UHFFFAOYSA-N 301.371 2.382 10 10 DECE Cn1nc2c(c1NC(=O)c1ccc(N=NC(N)=O)cc1)CCC2 1464490408 XKOCGZCIVXASMS-UHFFFAOYSA-N 312.333 2.324 10 10 DECE Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 1612628105 MUMJCXPKUMMFHP-UHFFFAOYSA-N 301.302 2.320 10 10 DECE Cc1cc(C(=O)N2CC[C@H](CO)[C@@H]2C)c(C)n1-c1ccccn1 1626270456 MIDOLKTYLZWCCQ-DZGCQCFKSA-N 313.401 2.332 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cncc2nc[nH]c12 1627073457 OIBBFSWTIIUIAK-UHFFFAOYSA-N 319.324 2.142 10 10 DECE COC(=O)c1cc(NCc2ccc3cccnc3c2O)ncn1 1640051187 LPRLDOGTJAYYEJ-UHFFFAOYSA-N 310.313 2.129 10 10 DECE COC[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(OC)c1 1640011246 HLOQLNYBCPSPLU-CQSZACIVSA-N 317.341 2.224 10 10 DECE CCC/C=C\[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C 1597854767 KUJMFDKZAPOMGG-AFCDSYGPSA-N 302.418 2.402 10 10 DECE Cc1cc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)no1 1595582857 SRBIQKJXGDWGRB-UHFFFAOYSA-N 301.306 2.418 10 10 DECE C[C@H](Nc1cnn(C)c(=O)c1Br)c1ccccc1O 1877579518 YALLQGOGWYHNAG-QMMMGPOBSA-N 324.178 2.422 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)o1 1965752537 WEMDRXVGCZEQOZ-UHFFFAOYSA-N 301.751 2.459 10 10 DECE CC1CC(CO)(NCc2c(O)cccc2Br)C1 1972492795 BNYBVZMTBWSCON-UHFFFAOYSA-N 300.196 2.405 10 10 DECE COc1ccc(CNC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009026 NOXXNMBYRBFHLT-OCCSQVGLSA-N 322.405 2.404 10 10 DECE CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(O)c(O)c1 1982309212 AJQBUCZNRSUKHK-UHFFFAOYSA-N 324.377 2.133 10 10 DECE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C1CC1 1985094398 OGGATIGQBZOGRG-CMPLNLGQSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)c2ccccc2O)C1(C)C 1988080208 BAQYTIMRPPBDGY-CXAGYDPISA-N 322.405 2.152 10 10 DECE C[C@@H](c1ccccc1O)N(C)CCC[C@@H](C)S(=O)(=O)O 2155499072 WYQUJBHIAWMNLQ-NEPJUHHUSA-N 301.408 2.442 10 10 DECE CNCc1ccc(N2C[C@H](OC)[C@H](F)C2)c(Br)c1 2029805909 AXGOXEVOHRAVAI-YPMHNXCESA-N 317.202 2.342 10 10 DECE CCN([C@H](C)CS(C)(=O)=O)[C@H](C)c1ccc(F)cc1O 2170425900 VQVAVBBIJRGJEH-GHMZBOCLSA-N 303.399 2.347 10 10 DECE O=C(O)[C@]12C[C@@H]1CN(Cc1c(O)cccc1Br)C2 706622923 ZWKNVTMSJBUETL-OQPBUACISA-N 312.163 2.061 10 10 DECE C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1N 715766911 ZEWABQCVGFHCCG-UFBFGSQYSA-N 317.202 2.463 10 10 DECE Oc1c(F)cc(Br)cc1CN1CCN2CC[C@H]1C2 715701123 DBFKTFKJJHUSBK-NSHDSACASA-N 315.186 2.184 10 10 DECE CCN([C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(F)cc1O 387383842 NXVWAUZDWADUAU-PWSUYJOCSA-N 301.383 2.101 10 10 DECE CNC(=O)c1cc(CC(C)C)nn1Cc1ccc(OC)cc1O 2070087524 WQTNVDGCYZJMHU-UHFFFAOYSA-N 317.389 2.204 10 10 DECE CN1CCc2cc([C@H](N)c3cc(Br)nn3C)ccc21 2098439376 QVDYZRRYDRMDDV-AWEZNQCLSA-N 321.222 2.223 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@H](O)C[C@H]3C2)cc1Br 2217902155 SXDQNWYAXVDKHN-VHRBIJSZSA-N 311.223 2.115 10 10 DECE O=C(O)[C@@H]1C[C@@]12C[C@@H]2NCc1cc(Br)ccc1O 2256194155 ONEZWWITSSTABG-XHVZSJERSA-N 312.163 2.108 10 10 DECE COC[C@H]1C[C@@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 2289521226 DRNCPTFEXCBROB-CABZTGNLSA-N 319.232 2.495 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cccc(C)c2)c1 491684996 IVKWPCBIAQTRJR-FPLPWBNLSA-N 309.369 2.426 10 10 DECE Cc1ccc(CN(C)c2ccc(=N)[nH]n2)c(O)c1Br 2352620095 MSWIGDHNRBIWTN-UHFFFAOYSA-N 323.194 2.302 10 10 DECE Cc1ncc(CN2CCN(Cc3ccccc3O)CC2)s1 179571470 JQWKBKNHRDXIRI-UHFFFAOYSA-N 303.431 2.475 10 10 DECE C[C@H]1CCC[C@@H](C)N1S(=O)(=O)CCOc1ccc(N)cc1 70490513 ZKHWRNXEDZOUGC-BETUJISGSA-N 312.435 2.240 10 10 DECE OCC[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 189957481 HHYOSXJTCBMDQM-SJLPKXTDSA-N 304.434 2.164 10 10 DECE Oc1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 180279631 PBJFHAPDVFNQPQ-HOCLYGCPSA-N 321.348 2.449 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C[C@H]1C[C@H]1N 1952398547 AYZZWGUNWLUKAA-YNEHKIRRSA-N 322.405 2.271 10 10 DECE COC[C@@H](O)CN(C)C(=O)c1sccc1-n1c(C)ccc1C 87452770 PFZCDOAPFJKOIX-ZDUSSCGKSA-N 322.430 2.235 10 10 DECE O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cccc(O)c1O 279810651 LAXWRTRNDKQQAL-LLVKDONJSA-N 323.414 2.272 10 10 DECE CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C[C@@H]1O 2130816023 CTYNEWDBGIRDLV-ZMLRMANQSA-N 306.189 2.327 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1cn2cccnc2n1 727168705 VZDMIXDOLOHNIJ-UHFFFAOYSA-N 310.357 2.487 10 10 DECE CN(C)c1ccc(/C=C\CN2CCS(=O)(=O)C(C)(C)C2)cc1 835029487 UIJXBGKHGWRXDP-WAYWQWQTSA-N 322.474 2.275 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@@H](C)N)cc1 842009008 YWYBNXZWAXSYBT-ZIAGYGMSSA-N 306.454 2.410 10 10 DECE COC[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C 925443674 ADVQDNKQMVDDKW-CQSZACIVSA-N 320.389 2.075 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@@H]3C)C2)cc1 854297832 RXEIECXCLODJKT-RDBSUJKOSA-N 303.406 2.324 10 10 DECE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@H]2COC[C@@H]12 1899863543 HXZUAYMWNPHOGT-CEXWTWQISA-N 311.381 2.462 10 10 DECE COc1ccc(N2CCN(c3cc(C)nc(OC)n3)CC2)cc1 760453131 BLNAKUMGQFPLJS-UHFFFAOYSA-N 314.389 2.129 10 10 DECE CC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccc1O 868120982 BYGUGVGQUNLPQM-RYUDHWBXSA-N 307.394 2.057 10 10 DECE CN(C)c1ccc(CNc2ncc3c(n2)CCOC3)cc1F 865295141 ZNKXLKANENTRIE-UHFFFAOYSA-N 302.353 2.367 10 10 DECE CC1(C)[C@@H](O)CCN1Cc1c(O)cccc1Br 862373339 UWSYIZOWWDTHFF-LBPRGKRZSA-N 300.196 2.500 10 10 DECE CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)N1CCO[C@H](CC)C1 871205514 USADANOAZUGIQH-ZBFHGGJFSA-N 318.417 2.124 10 10 DECE CCc1nnc(O)c(C(=O)N2Cc3cccc(O)c3C2)c1CC 871203521 MTZBHMZRIAXJGO-UHFFFAOYSA-N 313.357 2.169 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@@H]2CNC[C@@H]2C1 691489917 YXFGHPUXOFSCCH-ZYHUDNBSSA-N 311.223 2.196 10 10 DECE OCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]2C3)cc1Br 710167668 GQFWRABVILPOLO-OASPWFOLSA-N 312.207 2.291 10 10 DECE O=S(=O)(O)c1ccc(N=Nc2ccc(O)c(O)c2O)cc1 1933288790 QFFXDEONIZXXTB-UHFFFAOYSA-N 310.287 2.466 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCc2ccc(O)cc2C1 1306362290 OZYYKKGLUYBTLP-UHFFFAOYSA-N 303.289 2.141 10 10 DECE C=C/C=C/CC(=O)N(CC(=O)OCC)Cc1ccccc1O 1162539597 HRJKOSSTMWHJKC-AATRIKPKSA-N 303.358 2.416 10 10 DECE OCC[C@H](COCc1ccccc1)NCc1ccc(O)cc1O 1902793764 XUNIDRPWAYRERR-MRXNPFEDSA-N 317.385 2.155 10 10 DECE CC[C@@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1507055296 FNJIYDQACMBBIU-GOEBONIOSA-N 322.449 2.365 10 10 DECE C[C@@H](CO)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1914207821 SYBWJSCXXBMFFQ-ZDUSSCGKSA-N 315.369 2.050 10 10 DECE C[C@@H](CCN)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1915384439 NXKPMDSKTUKKFS-ZDUSSCGKSA-N 314.385 2.478 10 10 DECE Cn1c(C(=O)NCc2cc(Cl)ccc2O)cnc1Cl 1452938231 VBUVXRRICQAQHV-UHFFFAOYSA-N 300.145 2.363 10 10 DECE COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C/c1cccnc1 1532452904 UMDVRSSUZYKLOL-RMKNXTFCSA-N 323.352 2.256 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)[C@H](N)c2ccccc2O)C1 1919782804 YAROQLBOFNELSJ-NILFDRSVSA-N 322.405 2.010 10 10 DECE C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C)c1ccccc1O 1471195879 PIZNVRNKGLAESA-SNVBAGLBSA-N 311.341 2.476 10 10 DECE Cn1cc(Cl)c(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1471985258 STHUEANFUNCIQZ-UHFFFAOYSA-N 306.713 2.488 10 10 DECE O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c(O)cccc1F 1471975199 SYRBKIFNXNVKDD-UHFFFAOYSA-N 304.277 2.298 10 10 DECE O=C(CCOCc1ccccc1)NCc1ccc(O)cc1O 1626837655 BUPLYXFBNUSHKB-UHFFFAOYSA-N 301.342 2.321 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ncc2cc(Cl)ccn12 1633599175 QWFHZORGTPBXIP-UHFFFAOYSA-N 317.732 2.329 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(OC(F)F)cn1 1635846891 CVCMIEURZNUEDU-UHFFFAOYSA-N 310.256 2.024 10 10 DECE COC(=O)CC(C)(C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1566727043 RPDDFVMZBAYADU-UHFFFAOYSA-N 320.349 2.263 10 10 DECE CC(C)(C)OC(=O)NC1(CNCc2ccc(O)cc2O)CC1 1927778966 OKJVFBRITSHYEH-UHFFFAOYSA-N 308.378 2.245 10 10 DECE Cn1ncc2cc(C(=O)NCc3cc(Cl)ccc3O)cnc21 1640920267 NDXNHJMDPYZGOW-UHFFFAOYSA-N 316.748 2.257 10 10 DECE C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1O 1587444904 QXPJOZMJNIYNBY-SNVBAGLBSA-N 312.325 2.214 10 10 DECE Cc1cc(S(=O)(=O)Nc2cccc(N(C)C)c2)ccc1N 161059568 CLPQYSRTUAAAKH-UHFFFAOYSA-N 305.403 2.444 10 10 DECE CCOc1ccc(O)c(CN[C@@H](CO)Cc2ccccc2)c1 152704996 GFXOAFPJIJPWSC-MRXNPFEDSA-N 301.386 2.484 10 10 DECE CCCC(=O)N[C@H]1CCCN(CCCOc2ccc(N)cc2)C1 586051973 IRBBMQXDZBXNDP-INIZCTEOSA-N 319.449 2.418 10 10 DECE CC[C@H](NCC(=O)OC)c1cc(Br)ccc1O 19885500 ISMUNVLBGQEXMX-JTQLQIEISA-N 302.168 2.368 10 10 DECE CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1F 1966419524 OKNHKVSFKNGAOD-CHWSQXEVSA-N 301.745 2.417 10 10 DECE COc1nscc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155555989 PJSALISKYUTHBY-QMMMGPOBSA-N 317.396 2.005 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC(CSC)C3)c(Cl)cc21 2161137883 MUIGRLQRMMOZBF-CYBMUJFWSA-N 311.838 2.352 10 10 DECE CN(c1ccc(CN)cc1Cl)[C@H]1CCCS(=O)(=O)CC1 710620622 KOZFBPPZXHEGPL-LBPRGKRZSA-N 316.854 2.202 10 10 DECE Oc1c(F)cc(Br)cc1CNCCc1ncc[nH]1 715803160 FTXHWUDMRTURAG-UHFFFAOYSA-N 314.158 2.349 10 10 DECE Nc1ccc(O)c(CNC(=O)c2ccncc2Br)c1 395916861 VHSPLMNVZVKKSK-UHFFFAOYSA-N 322.162 2.062 10 10 DECE CNCc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Cl 2170649727 GBCLFGARHRLRIK-WDEREUQCSA-N 318.870 2.317 10 10 DECE CNCc1ccc(N2CC3(CC[C@H]3O)C2)cc1Br 2059149472 VWIHUDBHESDOGB-CYBMUJFWSA-N 311.223 2.130 10 10 DECE CN(CCCN=[N+]=[N-])S(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2108415304 IJGALMBMHJKURH-YUMQZZPRSA-N 300.306 2.147 10 10 DECE Oc1cc(Br)ccc1CN[C@H]1CCn2nccc2C1 2108924722 PQGWVIRORPXAIV-LBPRGKRZSA-N 322.206 2.456 10 10 DECE CCCN=c1[nH]cc(C)c(=NCc2cnc(SC)s2)[nH]1 2284725357 RACVBJRESYKAFD-UHFFFAOYSA-N 309.464 2.241 10 10 DECE COCC(C)(C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505443 HXPLITOLNMQDCS-UHFFFAOYSA-N 318.417 2.078 10 10 DECE CCN(CC)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1 121083233 BVVDTQWNLAHWTJ-LJQANCHMSA-N 317.477 2.439 10 10 DECE CCc1n[nH]c([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n1 129083037 SOISQZYGTJISGU-ZDUSSCGKSA-N 322.796 2.300 10 10 DECE CN1CCN[C@H](c2ccc(OCc3ccccc3)cc2O)C1=O 1952009432 NCSVCNWSTBBHBT-QGZVFWFLSA-N 312.369 2.074 10 10 DECE CCn1cc([C@H]2CN(Cc3cc(C)ccc3O)CCO2)cn1 191700661 WWBPNZAQUYOBRE-QGZVFWFLSA-N 301.390 2.491 10 10 DECE CC(C)(C)NC(=O)CNCc1cc(Br)ccc1O 227436163 UCWBFLPODHWCEF-UHFFFAOYSA-N 315.211 2.159 10 10 DECE [N-]=[N+]=NCCNS(=O)(=O)c1ccccc1Br 42012808 GBQOLCPRYJUZBO-UHFFFAOYSA-N 305.157 2.038 10 10 DECE COC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 271080373 INJXTAFKYDSRIA-SECBINFHSA-N 314.179 2.150 10 10 DECE O=C(NCc1ccccc1O)Nc1cn(Cc2ccccc2)nn1 801730434 IHDWNMWDNOLBLY-UHFFFAOYSA-N 323.356 2.354 10 10 DECE CO[C@H](C)CCS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 2165538660 FDFMLWMRRMJQTJ-NEPJUHHUSA-N 304.416 2.154 10 10 DECE CN(Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCS(=O)(=O)C1 816514263 RJAVGQMYWGYVLU-VIFPVBQESA-N 321.801 2.051 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(N)cc1O 1953032446 ZMOGAHSFVBPVFG-TZMCWYRMSA-N 307.394 2.244 10 10 DECE CCC[C@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1O 846013202 IVTCXNQYYXXPJX-CMPLNLGQSA-N 312.366 2.196 10 10 DECE Nc1ccc(CCNC(=O)NCCCc2nccs2)cc1 841903836 AOBWYVXWISUOHD-UHFFFAOYSA-N 304.419 2.200 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCNC2)cc1 841719116 DWUVCTVNWWEJDA-MRXNPFEDSA-N 318.465 2.332 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC[C@@H]1C 841985278 AUYBTRXZTRORNC-YOEHRIQHSA-N 318.465 2.282 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)C(C)C 840479226 MLAIWEYOXQZUGB-RHSMWYFYSA-N 321.465 2.308 10 10 DECE N[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 925477557 FIGJBTJIYXFKBD-SJORKVTESA-N 319.424 2.022 10 10 DECE COC(=O)c1cncc(CN2CCCc3cc(CN)ccc32)c1 923285855 GOPPVNPCSQOEFA-UHFFFAOYSA-N 311.385 2.280 10 10 DECE CC(C)(C)OC(=O)NC1(C(=O)NCc2c(O)cccc2F)CC1 928706135 RMWCIDVANWXKQO-UHFFFAOYSA-N 324.352 2.205 10 10 DECE Cc1ccc(Br)c(NC(=O)c2cc(O)nc(O)c2)n1 697178446 AARSBQCNIZYXIN-UHFFFAOYSA-N 324.134 2.211 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)Cc3ccco3)C2)cc1 855233791 MVGFMZQYIRYOTF-ZDUSSCGKSA-N 300.358 2.226 10 10 DECE CCOC(CCNC(=O)NCc1c(O)cccc1F)OCC 922143708 QNTVDOQOBNPZOH-UHFFFAOYSA-N 314.357 2.120 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1 855227070 WCEBBDIQDVRKBI-SWHYSGLUSA-N 310.344 2.291 10 10 DECE Cc1noc([C@@H]2OCC[C@@H]2NCc2cc(C)c(C)cc2O)n1 858327447 QZKJBUINRMECHD-DZGCQCFKSA-N 303.362 2.320 10 10 DECE CC[S@](=O)CCNC1CCN(c2ccc(OC)cc2)CC1 765947755 VCKHNGFHFZIJPL-NRFANRHFSA-N 310.463 2.022 10 10 DECE Cc1ccc(CNCCS(=O)(=O)c2ccccc2)c(O)c1 876963192 GEJOFMPQIRLETI-UHFFFAOYSA-N 305.399 2.264 10 10 DECE COc1cccc(O)c1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 770380414 HNFSXCUMCRPFFS-HACGYAERSA-N 307.390 2.169 10 10 DECE Cc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)no1 775653465 HAQWFMNYDRKHAX-UHFFFAOYSA-N 314.433 2.367 10 10 DECE Cn1cnc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)c1 1129795658 ZPTFBALRYWMRDU-GORDUTHDSA-N 305.284 2.137 10 10 DECE CC(C)N(CCCCS(=O)(=O)O)Cc1ccc(N)cc1 709623826 DEWRWTLDRAZSAW-UHFFFAOYSA-N 300.424 2.147 10 10 DECE CCN1CC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1141723079 NIMSZKOGNRWRKP-AWEZNQCLSA-N 321.384 2.429 10 10 DECE CCCN(c1ccc(N)cc1)S(=O)(=O)CCOC(C)C 93665087 HQBHOHWXUUPCBQ-UHFFFAOYSA-N 300.424 2.240 10 10 DECE COC(=O)c1sccc1C(=O)NCc1c(O)cccc1F 1156178015 SCNQHCMMMFXBCG-UHFFFAOYSA-N 309.318 2.309 10 10 DECE COC(=O)c1csc(NC(=O)c2c(F)ccc(O)c2O)c1 1306725862 YULWYKVNVJXAGC-UHFFFAOYSA-N 311.290 2.337 10 10 DECE C[C@@H]([C@@H](C)N(C)Cc1ccc(Cl)cc1O)S(C)(=O)=O 1658517914 PLJJUJQPSGKXCI-ZJUUUORDSA-N 305.827 2.299 10 10 DECE C[C@H]1C(=O)CC[C@H](C(=O)NCc2cccc(O)c2O)C1(C)C 1347233324 ILZKYYFOLVPHOG-CMPLNLGQSA-N 305.374 2.355 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCSC[C@@H]3C)c(Cl)cc21 221203619 ULWNCYJVHNEVCP-ISVAXAHUSA-N 311.838 2.494 10 10 DECE CN(C)[C@@H](C(=O)NCc1c(O)cccc1O)c1ccccc1 1456238351 YZQGEVMYTFIBBH-MRXNPFEDSA-N 300.358 2.017 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cccc(Cn2ccnc2)c1 1451772096 UACAESGUVDHHJE-UHFFFAOYSA-N 323.352 2.273 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ncccc1Br 1451763931 CGUOGTIKGMGVGZ-UHFFFAOYSA-N 323.146 2.185 10 10 DECE C[C@H](NCC1CC1)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1485232096 OPYIEELKDFTLAP-QWRGUYRKSA-N 317.393 2.355 10 10 DECE Cn1nc(-c2ccccc2)cc1C(=O)NCc1ccc(O)c(O)c1 1622643577 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DECE Cc1noc(CCNCc2c(O)cccc2Br)n1 706830347 RXFMGEJMKGSZDQ-UHFFFAOYSA-N 312.167 2.178 10 10 DECE COCC(COC)N(C)Cc1c(O)cccc1Br 707134151 GCLIKASRQQMVDJ-UHFFFAOYSA-N 318.211 2.248 10 10 DECE O=S1(=O)CCC[C@]12CCN(Cc1c(O)cccc1Cl)C2 708631973 MUHGKQCVJVDSNO-CQSZACIVSA-N 315.822 2.199 10 10 DECE C[C@@H]1CNCCN(Cc2cc(Br)cc(F)c2O)C1 715788788 LUFWWFDJJYPJTL-SECBINFHSA-N 317.202 2.335 10 10 DECE CC(C)[C@]12CN3C[C@](C)(CN(C1)C3c1ccccc1O)C2=O 2059113467 YBKPGSQISZHPRL-ZNXRZULTSA-N 300.402 2.253 10 10 DECE OCc1ccc(N2C[C@@H]3CC[C@H](C2)C3O)cc1Br 2048823427 FESXRALJMUISOM-XFLKPENQSA-N 312.207 2.149 10 10 DECE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(CO)cc1Br 2054307253 OBMQZKJARJDVEM-CNDDSTCGSA-N 312.207 2.270 10 10 DECE Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(O)cc2)c1 2191774026 LESNJOHTGLFOPF-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CNCc1ccc(N2[C@H]3C[C@@H]2CN(C)C3)c(Br)c1 2067428422 NRFZUTUSTLJHHQ-TXEJJXNPSA-N 310.239 2.061 10 10 DECE CNCc1ccc(N2[C@H]3C[C@@H]2CN(C)C3)cc1Br 2067431696 OOJDHQMUIDWPCP-BETUJISGSA-N 310.239 2.061 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC4CC3C4)c(Br)cc21 2095416584 ALKLEIWGLHWZBS-ROKYYSGWSA-N 322.206 2.260 10 10 DECE CO[C@@H](CNCc1cnc(SC)s1)[C@H]1CCCOC1 2208649301 AAUJPFCYLFOOJV-JQWIXIFHSA-N 302.465 2.396 10 10 DECE COc1ccc(N2CC[C@@H](CO)C2)c(OC)c1Br 2219384919 SGMPZDYKWCVUDL-SECBINFHSA-N 316.195 2.285 10 10 DECE CC(C)C[C@@H](NCc1cccc(Br)c1O)C(N)=O 2253507380 VMGKYKFLLPQECY-LLVKDONJSA-N 315.211 2.144 10 10 DECE CSc1ncc(CNCc2cccc(OCCN)c2)s1 2284732342 ZIMBSJYOTMXGEQ-UHFFFAOYSA-N 309.460 2.492 10 10 DECE COc1ccc(OC)c(C=C2C(=O)N(C)N=C2C(F)(F)F)c1 2332114701 HJZKJPPAKIZQGG-UHFFFAOYSA-N 314.263 2.478 10 10 DECE Cc1ccc(CNC(=O)c2cc[nH]n2)c(O)c1Br 2327591062 FCMQKZBZAIBRQC-UHFFFAOYSA-N 310.151 2.116 10 10 DECE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1N(C)C 228154694 SOGGBVXVVXXTNM-YGRLFVJLSA-N 312.255 2.294 10 10 DECE CC(C)OCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 183652519 NRDFUFUUJTVLNF-VMPITWQZSA-N 318.417 2.078 10 10 DECE CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCN1C[C@@H](C)O 120709735 GFZCVQLVCINGQR-NVXWUHKLSA-N 306.450 2.286 10 10 DECE CC(C)(C)OC(=O)NC[C@H](NCc1ccc(O)cc1O)C1CC1 226228982 IPYOALKHVCFXTL-AWEZNQCLSA-N 322.405 2.491 10 10 DECE COCC(C)(C)C(=O)NCc1cc(Br)ccc1O 804741435 YJTVIKJUSYXITB-UHFFFAOYSA-N 316.195 2.444 10 10 DECE Cc1cc(CN2CCO[C@@]3(CCCOC3)C2)ccc1N(C)C 815116144 BOEXKEOLEMJCHC-SFHVURJKSA-N 304.434 2.442 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@@H]2C(=O)O)c1O 818331476 WFDYGHJLXWAERJ-LKFCYVNXSA-N 309.337 2.419 10 10 DECE CCOC(=O)C(C)(C)Oc1ccc(N2CCC[C@@H](O)C2)cc1 584655988 LCGVPFFMMFSUQC-CQSZACIVSA-N 307.390 2.368 10 10 DECE CC(=O)NC(C)(C)c1noc(/C=C\c2ccc(O)c(O)c2)n1 588458106 UQGTYNNVEVXSEM-ALCCZGGFSA-N 303.318 2.022 10 10 DECE C[C@H](NCC(C)(C)[C@@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1O 842920560 RZESCKPBNZLIBU-MEDUHNTESA-N 324.377 2.129 10 10 DECE COC(OC)[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 923667537 UPFYMLDAIAZBTK-LLVKDONJSA-N 322.405 2.078 10 10 DECE COc1ccc(O)c(CN2CC(=O)N(C)c3ccccc3C2)c1 857882969 XLEORHDGJOVTGY-UHFFFAOYSA-N 312.369 2.379 10 10 DECE Cc1ccc(COCC(=O)NCCc2ccc(O)c(O)c2)cc1 857159713 VMYGCVVRRYNXNV-UHFFFAOYSA-N 315.369 2.282 10 10 DECE c1cc2c(cc1CN[C@H]1CCO[C@]3(CCOC3)C1)CCCO2 921963164 ZVQWIOJCTCTLJA-FUHWJXTLSA-N 303.402 2.439 10 10 DECE CCOc1cccc(CN2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)c1O 863653402 JNQUQFGMBLZESF-LCGIIJARSA-N 302.418 2.221 10 10 DECE CC(=O)c1cc(F)cc(CN2[C@@H](C)[C@H](C(N)=O)CC[C@H]2C)c1O 930919105 SQJHAFXNIXACHV-ISTVAULSSA-N 322.380 2.208 10 10 DECE Cc1cc(CCNC(=O)NC[C@@H](C)O)c(C)n1-c1ccccc1 765447540 OQYJUXQOTDCEDM-CQSZACIVSA-N 315.417 2.317 10 10 DECE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@@H](C3)C2)cc1 761078618 CJVLDCRNAWXGJY-HOTGVXAUSA-N 301.434 2.101 10 10 DECE COC(=O)N1CCC[C@H]([C@H](C)NCc2cc(F)ccc2O)C1 775997878 DKVFAJOGXABCBT-RYUDHWBXSA-N 310.369 2.488 10 10 DECE CCOc1cccc(CN2CCNC(=O)CC23CCC3)c1O 895928157 IWVUUOZTSTZMMA-UHFFFAOYSA-N 304.390 2.036 10 10 DECE Oc1cc(Br)ccc1CNC[C@H]1CCN1C1CC1 701016849 YOFUNEPKNCEEKJ-CYBMUJFWSA-N 311.223 2.481 10 10 DECE COc1ccc(CNC(=O)CCc2ccccc2O)c(O)c1 794376467 HVBYYUUSJQDNMQ-UHFFFAOYSA-N 301.342 2.355 10 10 DECE C[C@H](O)CN(CCNc1ccc(N)cc1)C(=O)OC(C)(C)C 1959376647 BPKUOAFOOLFZDU-LBPRGKRZSA-N 309.410 2.299 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cccc(C2OCCO2)c1 1176747875 DLKULYUDRUYZFV-UHFFFAOYSA-N 315.325 2.073 10 10 DECE CO[C@@H](CNCc1c(C)cccc1O)CNC(=O)OC(C)(C)C 1901546615 NWIKPCUYZIJYAA-ZDUSSCGKSA-N 324.421 2.330 10 10 DECE CN(C)c1ccc(CNC(=O)c2c[nH]nc2Br)cc1 2134187245 VKGCTQMVKCYNBO-UHFFFAOYSA-N 323.194 2.168 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)[C@@H](C)C2)c1 1294936027 CCXLJRHMUZPYHV-AVGNSLFASA-N 306.406 2.308 10 10 DECE C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)c2nccn21 1627597476 NEQOEXBTRMHVJT-JOYOIKCWSA-N 312.333 2.481 10 10 DECE O=C(NCc1cccc(Cl)c1O)[C@@H](O)Cc1ccccc1 1558756798 BYQWQHYJUJWEDX-AWEZNQCLSA-N 305.761 2.265 10 10 DECE C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCc2ccccc21 1558174862 ADUGWCIEWHBQQF-GFCCVEGCSA-N 312.369 2.165 10 10 DECE NC(=O)c1nccnc1NCc1cc(Cl)cc(Cl)c1O 1639991441 RZRPDHFJULODHA-UHFFFAOYSA-N 313.144 2.200 10 10 DECE COC(=O)c1cnc(Sc2nccn(C(F)F)c2=O)s1 1639960675 WQXSIXGBYBSKAV-UHFFFAOYSA-N 319.314 2.033 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2ccncc2)cc1C 1493462076 YHFOLSUBBNFWEH-UHFFFAOYSA-N 313.401 2.260 10 10 DECE COC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O 1767968896 SYBYWYUEOBNYRS-UHFFFAOYSA-N 304.394 2.354 10 10 DECE COC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 1772832308 URMRWCWWTZYFBW-RYWCDNDXSA-N 320.345 2.254 10 10 DECE Cc1cccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c1C 1857878435 BROHJFIBWFDLKW-UHFFFAOYSA-N 308.345 2.114 10 10 DECE COc1cc(N)c(N2CCC[C@H](C3(C)OCCO3)C2)cc1OC 2145835243 KGZJHCATJKLSTG-LBPRGKRZSA-N 322.405 2.265 10 10 DECE C[C@H]1CCC(F)(F)CN1S(=O)(=O)Cc1ccc(N)cc1 2145998282 DHARYGSLRHNEAH-JTQLQIEISA-N 304.362 2.218 10 10 DECE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(O)[C@@H](N)c1ccccc1O 1991740510 IEJKJNPCUREORU-GUYCJALGSA-N 324.421 2.446 10 10 DECE C[C@@H](O)c1ccc(N(C)C2(CO)CC2)c(Br)c1 2012613250 OHNMTHZIGRSXLV-SECBINFHSA-N 300.196 2.464 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F 692897279 ZIBIVMFEOAGRDM-SECBINFHSA-N 302.306 2.428 10 10 DECE O=C(NC1CC1)c1cn(-c2ccc(O)c(O)c2)nc1C(F)F 2069758815 MMWFQIHKZUWFBM-UHFFFAOYSA-N 309.272 2.113 10 10 DECE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Cl 2170322349 CNBYGAWJALVUNW-OUAUKWLOSA-N 317.838 2.405 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H]3[C@@H]2C[C@H]3O)c(Br)c1 2057979946 WMEFYLHLTYAJAP-DURYJLSESA-N 311.223 2.428 10 10 DECE N=c1cc(C(=O)Nc2ccc(N)cc2)c(Br)c[nH]1 2071722666 JSXQJATYTSWSKT-UHFFFAOYSA-N 307.151 2.091 10 10 DECE CNCc1ccc(N(C)CC(COC)COC)c(Cl)c1 2199383199 JMEWNSMDIGXVLX-UHFFFAOYSA-N 300.830 2.405 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]3C2)c(Br)c1 2217896861 KVFCSEUYFLZIGI-MJVIPROJSA-N 311.223 2.115 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCCC[C@H]2CNC3)s1 2284642066 WOVRBNNIWBCECZ-IINYFYTJSA-N 311.476 2.261 10 10 DECE CCN=c1[nH]cc(C(=O)NCc2cnc(SC)s2)s1 2269315863 ONNGOGOGLAXOPD-UHFFFAOYSA-N 314.461 2.105 10 10 DECE CN1CCC(N2C(=O)C(=Cc3cccnc3)SC2=S)CC1 2297394618 MYPODVGVSTZQFJ-UHFFFAOYSA-N 319.455 2.377 10 10 DECE Cc1cc(C=CC(=O)NC2(C(N)=O)CC2)c(C)n1-c1ccccc1 2301491013 ZMTOKEYEIDBLHT-UHFFFAOYSA-N 323.396 2.241 10 10 DECE COCCCN1C(=O)C(=Cc2ccc(F)nc2)SC1=S 2310148853 VYQBDQOUQHWUOT-UHFFFAOYSA-N 312.391 2.458 10 10 DECE Cc1ccc(CN[C@H]2C[C@H]2[C@@H](C)O)c(O)c1Br 2307472082 CIQFVPUXBRVFDP-MIMYLULJSA-N 300.196 2.322 10 10 DECE COC(=O)/C=C/c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 52361069 AUKHBJKMAUZDEH-HWKANZROSA-N 308.359 2.334 10 10 DECE CCN(c1ccc(N)cc1)S(=O)(=O)CCc1ccccn1 63114369 YLGFDMFOFZBTSA-UHFFFAOYSA-N 305.403 2.063 10 10 DECE COc1ccc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)cc1 188601335 XANORWPEAIWFDB-CYBMUJFWSA-N 318.339 2.131 10 10 DECE COC(=O)[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O 124765229 YHZYJVJTQVRRIC-SNVBAGLBSA-N 314.725 2.091 10 10 DECE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cccnc1 35364759 VZDXJEQQFXHJMF-UHFFFAOYSA-N 305.403 2.265 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H]2Cn2ccnc2)c1 188419203 RGAPFJQGGJZWNH-AWEZNQCLSA-N 302.334 2.162 10 10 DECE C[C@@H]1CCC[C@H](CS(=O)(=O)N2CCC(N=[N+]=[N-])CC2)O1 2364245645 YXRBXVVBZGTXCB-ZYHUDNBSSA-N 302.400 2.049 10 10 DECE C[C@H]1CC[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)[C@@H]1C 86069699 AGTPPMVUWXKUHK-ZOWXZIJZSA-N 312.435 2.002 10 10 DECE CC(=O)N1CCN(c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)CC1 193097008 NVZPKEVOFXOYBA-ZWKOTPCHSA-N 318.417 2.037 10 10 DECE CCOC(=O)C[C@H]1SC(=S)N(Cc2ccccc2)C1=O 255187264 CJSZRKWXHYLCGX-LLVKDONJSA-N 309.412 2.369 10 10 DECE Cc1cc(Cl)cc(CNCC2(S(C)(=O)=O)CCC2)c1O 279811417 ONZHPEYJJSHXFQ-UHFFFAOYSA-N 317.838 2.411 10 10 DECE CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cccc(Cl)c1O 284954517 HRBQYMMRNIGMRX-WCQYABFASA-N 301.814 2.293 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C 297466105 UITNSKYCQSTPKA-STQMWFEESA-N 321.396 2.212 10 10 DECE NC(=O)[C@H]1CCN(C(=O)/C=C/c2cccnc2)c2ccccc21 89466792 YFAJAKWXWMMZAO-KIUWMYQTSA-N 307.353 2.101 10 10 DECE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(O)c1O 294634928 YYIKOMVZEZBJJQ-DRZSPHRISA-N 319.357 2.044 10 10 DECE COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc(C)c(O)c1O 294783598 ZIWHIOXTNJNLSZ-LBPRGKRZSA-N 309.362 2.066 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1cccc(O)c1O 724945517 YSSJTOODNBZONG-GFCCVEGCSA-N 308.378 2.197 10 10 DECE CN(C)c1ccc(CN[C@H]2CNCC3(CCOCC3)C2)cc1F 903973418 CQBCVOJMJRRBQJ-OAHLLOKOSA-N 321.440 2.140 10 10 DECE COC[C@H](C)CNCc1cc(F)c(N2CCOCC2)c(F)c1 839143578 ALYFXLGTHLMJLP-GFCCVEGCSA-N 314.376 2.174 10 10 DECE CN1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1c1ccc(N)cc1O 1953040890 MAEOWPDCUFOJAD-YPMHNXCESA-N 307.394 2.244 10 10 DECE COc1ccc(N(Cc2nnc3n2CCOC3)CC2CC2)cc1 831587702 HMUSGCDYXPOYAD-UHFFFAOYSA-N 314.389 2.234 10 10 DECE CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCOCC1 746421135 IZZCEPPXHDREJF-UHFFFAOYSA-N 315.417 2.383 10 10 DECE CCN(CC)c1ccc(CN2CCO[C@H]([C@H](C)O)C2)cc1F 840976571 DQCORGICZKLBTJ-GUYCJALGSA-N 310.413 2.254 10 10 DECE CCOc1ccc(O)c(CNCc2nc([C@H]3CCCO3)n[nH]2)c1 848562104 HHEUNDOLDCPHJV-CQSZACIVSA-N 318.377 2.050 10 10 DECE CO[C@H]1COCC[C@H]1CC(=O)NCc1cc(Cl)ccc1O 846477537 RYGMZNCLKWPYHE-HZMBPMFUSA-N 313.781 2.103 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(CO)CCC1 844988340 GFYSOKVCWSRLTH-UHFFFAOYSA-N 319.449 2.413 10 10 DECE CCN(CC)c1ccc(CNCC[C@@H]2CC(=O)N(C)C2)cc1 922486494 VGNCKOSPOADMGA-MRXNPFEDSA-N 303.450 2.491 10 10 DECE Cc1cc(N)c(O)c([C@@](C)(CC(=O)O)NC(=O)OC(C)(C)C)c1 687735747 AWXPULACYDOHRH-MRXNPFEDSA-N 324.377 2.497 10 10 DECE CO[C@]1(CO)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 862409947 HFKJKHSUPVNAHC-MRXNPFEDSA-N 314.376 2.004 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC12CCOCC2 862026909 CPYJMDXGUDRBTF-AWEZNQCLSA-N 312.369 2.373 10 10 DECE C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@]12CCCC[C@@H]1C2 868291410 JVOCRADBAVYURK-XWCIJXRUSA-N 301.390 2.292 10 10 DECE O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1c(F)ccc(O)c1O 881435040 AANDIGGXXRYADB-QWRGUYRKSA-N 309.337 2.029 10 10 DECE COc1ccc(N2CC[C@H](CNC[C@@H]3CCCO3)C2)cc1OC 76378949 HNDMECALGHJTRT-ZBFHGGJFSA-N 320.433 2.299 10 10 DECE CN(C)CCC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 895352975 UQPILSRNGGLMFJ-AWEZNQCLSA-N 314.376 2.213 10 10 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Oc1cc(Br)ccc1CN1CC[C@@]2(CCNC2)C1 701081015 VCJDMZILSKXJBL-CQSZACIVSA-N 311.223 2.340 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H]1CO 709378179 XHIUIPFNBWZAHS-WCBMZHEXSA-N 317.202 2.112 10 10 DECE Nc1cccc(Br)c1NC1CCS(=O)(=O)CC1 697483373 CJZWKFQANCMXTF-UHFFFAOYSA-N 319.224 2.020 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)CCC[C@H]3C)c2n1 2064495557 CPNBAOSYVBSDJL-ZYHUDNBSSA-N 302.378 2.394 10 10 DECE CN[C@H](C)c1cc(F)c(N2CC[S@@](=O)C[C@H]2C)c(F)c1 2194689377 LDMSMWDFHOBZHC-ODXZIHIVSA-N 302.390 2.202 10 10 DECE CNCc1ccc(N2CC3(CC[C@@H]3O)C2)cc1Br 2059149473 VWIHUDBHESDOGB-ZDUSSCGKSA-N 311.223 2.130 10 10 DECE CO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C[C@@H]1OC 2199550372 GHEZRWDUTCLION-KBPBESRZSA-N 302.777 2.178 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)n1ccnc1Br 2220482220 NSFOXSMELXWODJ-MRVPVSSYSA-N 309.167 2.428 10 10 DECE CC(C)CN1CC[C@@H](CNC(=O)C=Cc2ccc(O)c(O)c2)C1 2308002176 BWFBRBAQVFSKHF-HNNXBMFYSA-N 318.417 2.205 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1Br 2309934213 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10 DECE CN(Cc1cc(F)ccc1O)C1CCN(c2cnccn2)CC1 369491176 DNVTZVKHLMWZHJ-UHFFFAOYSA-N 316.380 2.422 10 10 DECE O=C1OCCN1CCCNCc1ccc2ccccc2c1O 816546845 YLNHPYBEBZLPFJ-UHFFFAOYSA-N 300.358 2.477 10 10 DECE CCN(CC)c1ccc(CNC[C@@H]2CCCCN2CCO)cc1 824582975 GGWZZEDBDBOLIU-IBGZPJMESA-N 319.493 2.469 10 10 DECE Cc1cc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1Cl 826029885 LTTQYIIHWZNYTB-ZBFHGGJFSA-N 310.825 2.259 10 10 DECE C/C=C\C[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 588491995 BEZMSGVGZKQYGT-RXYHWBRQSA-N 315.417 2.189 10 10 DECE CCC(=O)N1CC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C1 835043146 NKYTZXTXUSLAKY-OGZRUICASA-N 301.434 2.366 10 10 DECE CN(C)c1ccc(/C=C\CN2CCC[C@@H](CC(N)=O)C2)cc1 835029119 QOADPIGVPHNJOR-IMMZDGJCSA-N 301.434 2.353 10 10 DECE C[C@@H]1C[C@@H]1N1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O 835041462 XNDJUZPCYUCCSO-LYTOYTJTSA-N 313.445 2.365 10 10 DECE Cc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)o1 841051266 XIPCNIYFOYIGIH-LLVKDONJSA-N 315.373 2.246 10 10 DECE Cc1cc(O)c(CNCC(=O)NCC(F)(F)F)c(Cl)c1 840879071 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10 10 DECE COC(=O)[C@]1(C)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 1458267394 YUVBNPSKTRXADN-OAHLLOKOSA-N 324.333 2.001 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)C1CCCCC1 1545740171 QWMFERNJGVFYQL-CQSZACIVSA-N 307.390 2.088 10 10 DECE CCOC(=O)c1ccccc1/N=N/[C@@H](C(C)=O)C(=O)OCC 1616045524 CIYZJRJVCCMMKO-CMTMBAJVSA-N 306.318 2.468 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccnc(-c2ccccc2)n1 1472064209 XELPFGFKDMQRMS-UHFFFAOYSA-N 321.336 2.485 10 10 DECE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)Cc2cncnc21 1558089155 XVSVRKUASUXJLR-SNVBAGLBSA-N 324.344 2.399 10 10 DECE C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1O 1557967116 WDUGFUJLNBWCLC-LLVKDONJSA-N 319.382 2.287 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ccc2nonc2c1 1557122365 HPPSUROZNCUMPW-UHFFFAOYSA-N 320.308 2.407 10 10 DECE C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 1633593534 DEIZGIUPQNWJOT-LLVKDONJSA-N 318.377 2.472 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ccn(C(F)F)n1 1638573079 IJKRGCAPOFWXDH-UHFFFAOYSA-N 318.283 2.462 10 10 DECE COc1ccc(CN[C@H](C)CCNC(=O)c2cocn2)cc1C 1731723285 FNFGTQDXYBRFII-CYBMUJFWSA-N 317.389 2.290 10 10 DECE COc1ccc(CNC[C@H](NC(=O)C2CC2)C2CC2)cc1C 1699568942 BLIBBDLVZJFSMW-INIZCTEOSA-N 302.418 2.398 10 10 DECE CC[C@@H](COC)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 151141613 MZROUNZBKUCURF-LBPRGKRZSA-N 301.346 2.405 10 10 DECE C[C@@H](Oc1ccc(N)cc1)C(=O)NCCCCN1CCCC1 1860081682 CDJYQCNJXQHKTQ-CQSZACIVSA-N 305.422 2.028 10 10 DECE CC(C)(C)OC(=O)NCC1(CNCc2cccc(O)c2O)CC1 1939232684 DUSVJWYEWSJUTK-UHFFFAOYSA-N 322.405 2.492 10 10 DECE Nc1ccc(N2C(=O)[C@@]34CCC[C@]3(C4)C2=O)cc1Br 2142232962 WYXILQJUQRSBJL-KBPBESRZSA-N 321.174 2.465 10 10 DECE C[C@H](NOC1CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O 1984439870 LNVBRCGBALZKTA-JTQLQIEISA-N 324.377 2.299 10 10 DECE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ccc(N)cc2)C1 1992427647 JTJBIHFPNGTHND-UHFFFAOYSA-N 322.361 2.158 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)cc1Br 2029636801 XIBAUTJPJKCZTM-PKFCDNJMSA-N 312.207 2.321 10 10 DECE CCNCc1ccc(N2CC(CCO)C2)cc1Br 2034864844 QORXXSBJBFCRHY-UHFFFAOYSA-N 313.239 2.377 10 10 DECE CN1CC[C@](C)(NCc2cc(Br)cc(F)c2O)C1 716610254 VIOGILRVZDIYJH-ZDUSSCGKSA-N 317.202 2.478 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC4CCC3CC4)c2n1 2062373653 LXSKMYMSRBTEHH-GCZXYKMCSA-N 300.362 2.052 10 10 DECE CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062720317 IRKSKBMTPASVLE-VXGBXAGGSA-N 302.378 2.394 10 10 DECE Oc1cccc(F)c1Cn1nccc1I 2069923439 YNLLFARBTGLMCJ-UHFFFAOYSA-N 318.089 2.381 10 10 DECE NCc1ccc(N2CC[C@]23C[C@@H](CO)C3)cc1Br 2061795073 QMIWZHCDZCZOTN-YPFXGUDJSA-N 311.223 2.259 10 10 DECE [N-]=[N+]=NCCCCNS(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2108415786 MTXKIDMWLZTDNK-YUMQZZPRSA-N 300.306 2.195 10 10 DECE CS(=O)(=O)c1sccc1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234165567 DOPHOJXSCZPQOS-BDAKNGLRSA-N 314.392 2.113 10 10 DECE CC[C@H](C)[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504451 MRGJDCIVQDFRCU-CBAPKCEASA-N 317.436 2.164 10 10 DECE O=C(C=Cc1cccc([N+](=O)[O-])c1)NCc1ccc(O)c(O)c1 2301404160 POQJUFBZSIKCDS-UHFFFAOYSA-N 314.297 2.336 10 10 DECE CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C=Cc1ccc(O)c(O)c1 2308001763 NFZXUGJUTWHJGI-LSDHHAIUSA-N 316.401 2.196 10 10 DECE Cc1ccc(CN2C[C@H](O)C(F)(F)C2)c(O)c1Br 2327797269 TUPIDANRUNGVMI-VIFPVBQESA-N 322.149 2.275 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1c1nccs1 120243851 VTXRLMPYGPOONK-CYBMUJFWSA-N 317.414 2.476 10 10 DECE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1CCO 210387486 JSMPEQLXTUTFNY-KPKJPENVSA-N 304.396 2.361 10 10 DECE CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 189414310 GZXGTTTWUSXWMS-GJZGRUSLSA-N 319.449 2.041 10 10 DECE COC(=O)CCCN1C(=O)/C(=C/c2ccncc2)SC1=S 40888561 NHUNTIUAVURFPZ-LUAWRHEFSA-N 322.411 2.236 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)cc1 190476381 ZETCIRBVISNRFF-YOEHRIQHSA-N 318.417 2.159 10 10 DECE CC[C@@H](C)NC(=O)CCNCc1cc(Cl)cc(OC)c1O 228671453 CQGAZTDXBFEDHE-SNVBAGLBSA-N 314.813 2.449 10 10 DECE Cc1ncsc1CN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131396666 BLTCKTQHYDROJB-CQSZACIVSA-N 302.403 2.064 10 10 DECE Cc1cc(O)c([C@@H](N)CCCO)cc1I 238473913 HWHUBQYGNFRFSL-JTQLQIEISA-N 321.158 2.078 10 10 DECE CCCN(N=Nc1nonc1OCC)c1nonc1OCC 252630035 UTBFYMFRVJTROY-UHFFFAOYSA-N 311.302 2.165 10 10 DECE NCc1ccc(N2C[C@@H](CO)[C@@H](C(F)(F)F)C2)c(Cl)c1 2163292830 VQMHCLRTOXNKJK-UWVGGRQHSA-N 308.731 2.406 10 10 DECE C[C@H]1OCC[C@@H]1N(CCO)Cc1cc(Cl)c(F)cc1O 825130270 RKBSSCKHVCGQSF-RNCFNFMXSA-N 303.761 2.156 10 10 DECE CCn1nc(C)c(CNC(=O)NCc2c(O)cccc2F)c1C 916447961 USQGPZWKOHKYGI-UHFFFAOYSA-N 320.368 2.364 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](C2CC2)N1 846672880 MGMJEZFKGRXBJS-QZTJIDSGSA-N 313.445 2.434 10 10 DECE Nc1ccc(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1 850751112 UQQBLCBBUFJFJK-LLVKDONJSA-N 303.284 2.454 10 10 DECE FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1CNCCO1 852745652 ZCBLDLZTIFBYJF-CYBMUJFWSA-N 316.323 2.326 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)N(C)C1 758492128 HTVWLKUQPCOQCB-UHFFFAOYSA-N 303.387 2.027 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2nc[nH]c2C1 862026452 OOAPCDMBKXCKBN-GFCCVEGCSA-N 322.368 2.085 10 10 DECE CN1C(=O)C(=Cc2ccsc2C(F)(F)F)C(=O)N(C)C1=O 863176741 BRVAFYMPOVYEMY-UHFFFAOYSA-N 318.276 2.201 10 10 DECE CC(C)SC1=C(C(=O)O)NC(=O)N[C@@H]1c1ccccc1O 76254978 OQCDMMRWOLWHGC-SNVBAGLBSA-N 308.359 2.184 10 10 DECE CC[C@@H](CNCc1cc(Cl)cc(OC)c1O)C(=O)OC 895127968 OBFNKJWXJJTBRM-VIFPVBQESA-N 301.770 2.343 10 10 DECE CC[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)C 70490775 WVKCGSCTKMCQCB-AWEZNQCLSA-N 300.424 2.002 10 10 DECE CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCO[C@H]21 1147503937 CEYUUWZRGUIJRI-YNEHKIRRSA-N 316.361 2.392 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2ccns2)cc1C 1266941862 FZDCFADITUDADA-GFCCVEGCSA-N 319.430 2.368 10 10 DECE CCc1noc2ncc(C(=O)NCc3cc(O)ccc3O)cc12 1637122636 KYUBJQVWXUPWLW-UHFFFAOYSA-N 313.313 2.126 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)c1ccnc2[nH]nnc12 1645440453 DTRZHFMYQIRNIA-UHFFFAOYSA-N 319.324 2.142 10 10 DECE CCOc1ccc(OCC(=O)NCc2cc(O)ccc2O)cc1 1644752877 YWTMHADCHXFFEC-UHFFFAOYSA-N 317.341 2.192 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ccc2cnccc2n1 1595752941 VCKHXZPXFVMNCI-UHFFFAOYSA-N 309.325 2.014 10 10 DECE O=C(/C=C\C1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 1772833795 KXRHMBVMSMGKQZ-YVMONPNESA-N 314.429 2.478 10 10 DECE Oc1cccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1939380161 MZSXIXIZBBCPSG-QFBILLFUSA-N 310.397 2.462 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2O 1967759982 PRFDQCRQUQUDGQ-LIMOIJHXSA-N 312.207 2.404 10 10 DECE O=S1(=O)CCC[C@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21 2145074963 YLDFILXRQLOOFT-GXFFZTMASA-N 315.822 2.055 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2[C@H](C(=O)N3CC(N=[N+]=[N-])C3)[C@@H]2C1 1985093693 CYTMARLVSROSDE-NTOYLBEASA-N 321.381 2.057 10 10 DECE COCCNCc1cnc(Sc2nc(C)cc(C)n2)s1 2155335279 YFJGCGDPNXKNAQ-UHFFFAOYSA-N 310.448 2.437 10 10 DECE C[C@H](c1ccc(F)cc1O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 2170447006 SCHHYRKDZFOTEB-GMTAPVOTSA-N 301.383 2.100 10 10 DECE CC[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1O 399942553 OJALXWNCDQSJEG-ISVAXAHUSA-N 317.202 2.254 10 10 DECE Cn1ncc(Br)c1C(=O)c1cccc2c1NCC2 2045556274 VMHUJWIQDCICAF-UHFFFAOYSA-N 306.163 2.382 10 10 DECE CNCc1ccc(N2CC[C@H]3[C@@H]2C[C@H]3O)c(Br)c1 2057979995 WQOQWPNHXSYCBW-LEWSCRJBSA-N 311.223 2.128 10 10 DECE NCc1ccc(N2CC[C@@H](C3(O)CC3)C2)c(Br)c1 2066930565 WQXYNEWIZUONLK-LLVKDONJSA-N 311.223 2.259 10 10 DECE CCO[C@H]1CNCC[C@@H]1Nc1c(N)cccc1Br 2071573534 AATDUYRSMZEXDZ-RYUDHWBXSA-N 314.227 2.210 10 10 DECE Oc1ccc(CCN=c2cc(Cl)nc(Cl)[nH]2)cc1O 2091758010 CKFIFZONNPKMKG-UHFFFAOYSA-N 300.145 2.271 10 10 DECE COC[C@@H]1C[C@@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 2289514643 DRNCPTFEXCBROB-SKDRFNHKSA-N 319.232 2.495 10 10 DECE O=C(O)C[C@H]1C[C@H]1CNCc1cc(Br)ccc1O 2314316690 LSHSHXFLTSJHGV-BDAKNGLRSA-N 314.179 2.355 10 10 DECE CN(C)[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CN)cc1Br 2340990232 UCIQDWZNVUVUIP-SLEUVZQESA-N 324.266 2.437 10 10 DECE C[C@@H]1CCC[C@H](S(=O)(=O)CC(=O)Nc2ccc(N)cc2)C1 54691880 KHRPIIAHPUIEGW-RISCZKNCSA-N 310.419 2.201 10 10 DECE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccccc1O 100276184 ICAYRXVRIXGGGN-UKTHLTGXSA-N 301.342 2.473 10 10 DECE C[C@@H](CC(=O)N(C)C)NCc1cc(Br)ccc1O 311243836 YYUPUHPIZRTTTN-VIFPVBQESA-N 315.211 2.111 10 10 DECE CC[C@H](N[C@@H](C)C(N)=O)c1cc(Br)ccc1O 35793377 WZPQCFAYAVUZQK-XVKPBYJWSA-N 301.184 2.069 10 10 DECE CO[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 187824569 YIDVGAYCEOGDFG-GDBMZVCRSA-N 305.422 2.462 10 10 DECE O=C1Nc2cc(N3CC[C@@H](SC(F)F)C3)ccc2[C@H]1O 2365688112 CTYIUGLQRZKFRJ-LDYMZIIASA-N 300.330 2.207 10 10 DECE Cc1ccsc1/C=C1/SC(N2CCN(C)CC2)=NC1=O 33315326 QZEIBGDHMFZWKC-FMIVXFBMSA-N 307.444 2.274 10 10 DECE Cc1cc(Cl)ncc1S(=O)(=O)NCc1ccccc1O 1192372834 APQDLZUKPJJVLB-UHFFFAOYSA-N 312.778 2.228 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC(=O)CC1 815797380 NGVMMMUUCVCGFS-ZDUSSCGKSA-N 304.390 2.047 10 10 DECE CN(C)c1ccc(/C=C\CN2CCC[C@@H](OCCO)C2)cc1 835027722 GCAXEQWWCDXJFA-LKIHTYOGSA-N 304.434 2.239 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@]23C[C@H]2COC3(C)C)c1 830539849 AKGBHCDQESVUFT-PSVSLLHZSA-N 305.374 2.393 10 10 DECE COc1cc(CNCC[C@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 850338010 CQNOLYXOHOSCJM-SFHVURJKSA-N 323.433 2.329 10 10 DECE C[C@@H](NC(=O)N[C@H](CO)C1CCC1)c1ccc(N(C)C)cc1 852261240 OBIGZLMJTOKRAK-MLGOLLRUSA-N 305.422 2.274 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H](O)C1CCC1 854512860 DUZQKHCULOPXLL-INIZCTEOSA-N 322.368 2.496 10 10 DECE CCN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 859878617 XFLDSDHXIUWSOM-SJORKVTESA-N 322.474 2.294 10 10 DECE CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C(C)C 867836332 OTUIBRPMAOJGSF-FZMZJTMJSA-N 301.408 2.044 10 10 DECE O=C(NC[C@@H](CO)CC1CC1)c1cc2cc(O)c(O)cc2s1 898790009 UMGDVTMMVHYNJM-JTQLQIEISA-N 321.398 2.451 10 10 DECE Cn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cn1 79221988 DDKUQXUTXRTBCC-UHFFFAOYSA-N 320.399 2.344 10 10 DECE CC(C)[C@H](CCO)NC(=O)c1cc2cc(O)c(O)cc2s1 897009718 REHCRBBMSVNKRN-JTQLQIEISA-N 309.387 2.449 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@]12COC[C@H]1C2 715734687 ABNHJWRIYDNTLS-PRHODGIISA-N 302.143 2.172 10 10 DECE CCN(c1ccc(CO)c(Br)c1)[C@H]1CCN(C)C1 693448174 YHJUKQDFMQJXCN-ZDUSSCGKSA-N 313.239 2.472 10 10 DECE CCCCn1ncc(C(=O)NCc2cc(O)ccc2O)c1C 1153884742 HCGUYOPFRBXGQX-UHFFFAOYSA-N 303.362 2.333 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H](CO)c1ccc(Cl)cc1 1153886126 XGZBAAUFWCQYTA-AWEZNQCLSA-N 321.760 2.144 10 10 DECE COc1ccc(C(=O)NCc2cccc(O)c2O)c(OC)c1 1303193150 HQKLHJUEWOYYPS-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CN(C)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1290252372 DJCLGSXPLORETB-UHFFFAOYSA-N 300.358 2.023 10 10 DECE COc1cc(Cl)ccc1-c1noc(-c2nnsc2N)n1 1923203399 GNFMTSLJVLWJNU-UHFFFAOYSA-N 309.738 2.499 10 10 DECE COc1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CCCO2)cc1C 1495613189 RJSXPVHKINEMES-CXAGYDPISA-N 320.433 2.025 10 10 DECE C[C@@H](NCCONC(=O)OC(C)(C)C)c1ccc(O)cc1O 1928413510 IAFMNVKQPLTPQA-SNVBAGLBSA-N 312.366 2.205 10 10 DECE [N-]=[N+]=NCCN1CC[C@@](CNC(=O)C(F)(F)F)(C2CC2)C1 1962305682 UPKJTCVYRPOJOE-NSHDSACASA-N 305.304 2.077 10 10 DECE CN1CCC[C@H]1CNC(=O)NCCCSc1nccs1 152800465 XPQVQDMOGXEPPM-NSHDSACASA-N 314.480 2.019 10 10 DECE CC(C)N(C[C@@H](C)O)C(=O)NCCCSc1nccs1 154638592 LPMXSQLMKKGWDR-LLVKDONJSA-N 317.480 2.426 10 10 DECE OC[C@H](CNCc1cc(Br)ccc1O)C1CC1 1942320163 IFGVKGBSMSRRNR-NSHDSACASA-N 300.196 2.263 10 10 DECE CC1([C@@H](CO)NCc2ccc(Br)cc2O)CC1 1945340974 FDNIONLDRYXUOK-GFCCVEGCSA-N 300.196 2.405 10 10 DECE Cn1nc(CNC(=O)c2ccc(O)c(O)c2)c(Cl)c1Cl 2150740877 CNXXYOPPZDUZQV-UHFFFAOYSA-N 316.144 2.068 10 10 DECE Oc1c(Br)cccc1CNC1(C(F)F)COC1 2019094823 MABGMFPMBPUCKH-UHFFFAOYSA-N 308.122 2.278 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H](O)[C@H](F)C2)c(Br)c1 2027968293 DHDXFKFODYSMIW-KDDOJWQBSA-N 318.186 2.412 10 10 DECE Cn1[nH]c(=NCc2cc(F)cc(F)c2O)cc1Br 2038256244 XKFZZIWGWSIYEU-UHFFFAOYSA-N 318.121 2.200 10 10 DECE C[C@H]1CN(c2ccc(CO)c(C(F)(F)F)c2)CC[S@@]1=O 2171960404 QUWLSYYLSBPFIK-LXGOIASLSA-N 307.337 2.155 10 10 DECE OCc1ccc(N2C3CCC2(CO)CC3)cc1Br 723050155 LJHPVQVXIVTOIQ-UHFFFAOYSA-N 312.207 2.435 10 10 DECE COC[C@]12C[C@H]1CN(c1ccc(CN)cc1Br)C2 2046793739 MSJXYPURGYISOP-SMDDNHRTSA-N 311.223 2.381 10 10 DECE CN(c1ccc(CO)c(Br)c1)[C@@H]1COCC1(F)F 2076374167 LVUQOLVIYMVTFW-LLVKDONJSA-N 322.149 2.412 10 10 DECE CN1CCc2cc([C@H](O)c3cn(C)nc3Br)ccc21 2106793270 LLCZLTDRZXWIKW-ZDUSSCGKSA-N 322.206 2.257 10 10 DECE C[C@@H](O)c1ccc(N2CCC23CN(C)C3)c(Br)c1 2222678988 FQIXTFLXXTWDCW-SNVBAGLBSA-N 311.223 2.397 10 10 DECE C[C@H](CO)CC1CN(c2ccc(CO)c(Br)c2)C1 2222850168 IYNREHMTIJDKDP-JTQLQIEISA-N 314.223 2.396 10 10 DECE COc1ccc(Br)c(CNCc2ccnnc2)c1O 2227747548 BUYDJPZEJZGSHR-UHFFFAOYSA-N 324.178 2.243 10 10 DECE C[C@H](NC(=O)c1nccnc1Br)c1ccccc1O 2267849206 KJWDLEPULJGGTJ-QMMMGPOBSA-N 322.162 2.436 10 10 DECE COC(=O)c1cc(=N)[nH]cc1NCc1cnc(SC)s1 2284652307 OYEKBKCSCOCXFQ-UHFFFAOYSA-N 310.404 2.071 10 10 DECE COc1cc(Cl)cc(CN2CC(F)(F)C[C@@H]2CN)c1O 2296418501 KTRCVORQORIVGI-SNVBAGLBSA-N 306.740 2.223 10 10 DECE Cc1cc(NS(=O)(=O)c2nccnc2Cl)c(C)cc1O 2286396971 XCBDUKYPWDQMTA-UHFFFAOYSA-N 313.766 2.253 10 10 DECE COc1ccc(O)c(CNC(=O)C=Cc2cncc(F)c2)c1 2301551246 BXEXNHSXAUJVJL-UHFFFAOYSA-N 302.305 2.265 10 10 DECE Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(F)c1 1174740362 DSIRJACIAXGLQD-UHFFFAOYSA-N 300.286 2.053 10 10 DECE O=C(C=Cc1cncc(O)c1)N1CCOc2cc(F)ccc21 2306248107 UTLIMJNUQCBSJI-UHFFFAOYSA-N 300.289 2.365 10 10 DECE CC(C)N1CCC[C@H](CNC(=O)C=Cc2ccc(O)c(O)c2)C1 2307996607 YCKXQWBGSFBOAF-OAHLLOKOSA-N 318.417 2.348 10 10 DECE CN(C)c1ccc([C@H](N)c2c(Br)ncn2C)cc1 2315666794 DUOJOTLETZHTRE-NSHDSACASA-N 309.211 2.297 10 10 DECE Cc1ccc(CN(C)C[C@@H]2C[C@@H]2CN)c(O)c1Br 2327596143 XTWWFLGNOMTDGK-NEPJUHHUSA-N 313.239 2.490 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1c1ccc(O)c(O)c1 1952158609 ZXNQSTQYIWSSGK-VXGBXAGGSA-N 308.378 2.497 10 10 DECE Cc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1C 186435674 DUYVJYUAVIXMMG-SECBINFHSA-N 315.373 2.174 10 10 DECE C[C@@H]1CCCN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2 221240906 PXDCRJDCXDJVCK-JMCQJSRRSA-N 310.195 2.390 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1c1ccc(O)cc1O 1952796569 WEUNCVBYCFPBGU-WCQYABFASA-N 323.345 2.481 10 10 DECE CCOC(=O)CC(=O)NCc1ccc(N(CC)CC)c(F)c1 264491604 BHPLWWUPVTWSAT-UHFFFAOYSA-N 310.369 2.241 10 10 DECE Cc1cc(Cl)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O 362049170 ZKYWMEMHCZOGIE-HOTGVXAUSA-N 324.852 2.385 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCC(=O)NC1 281721157 UNJBAIZUWHOUHB-SFHVURJKSA-N 317.433 2.017 10 10 DECE COCC1(O)CCN(Cc2cc(Cl)c(F)cc2O)CC1 295440532 UMSHUZGTBDBEFA-UHFFFAOYSA-N 303.761 2.158 10 10 DECE C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccnn1C 817431549 WXZFWGMFQUSHNX-LLVKDONJSA-N 304.369 2.045 10 10 DECE COCc1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)no1 826845066 DRKRLHQEZRMPKA-ZDUSSCGKSA-N 317.389 2.198 10 10 DECE Cc1cc(NS(=O)(=O)c2cnc(O)s2)c(C)c(C)c1O 829915747 NIUPPMIHUOOYHM-UHFFFAOYSA-N 314.388 2.280 10 10 DECE CCN(CC)c1ccc(CN[C@@H](CO)c2ccnn2C)cc1F 839180866 TZAASNSJCOTJJR-HNNXBMFYSA-N 320.412 2.229 10 10 DECE CN(C)c1ccc(/C=C/CN2CCN3C(=O)OCC[C@@H]3C2)cc1 835027676 CRSYVINFDFAJEW-REMYHPOOSA-N 315.417 2.292 10 10 DECE CO[C@@H](C)CN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C 839496077 WYZQILFETKYOBW-HNNXBMFYSA-N 321.465 2.114 10 10 DECE Nc1ccc(CCNC(=O)NC2CC(N3CCCCC3)C2)cc1 841889361 CPLWTHURKPYOAX-UHFFFAOYSA-N 316.449 2.127 10 10 DECE COc1ccc(N2CC[C@H](NC(=S)NC3(C)CC3)C2)cc1 849270861 RCYJKNHLADJVGM-LBPRGKRZSA-N 305.447 2.291 10 10 DECE COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1ccccc1O 862475112 ZDPYDWXJBAKRGI-MRXNPFEDSA-N 315.369 2.275 10 10 DECE C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 765283244 ZVLAONIAFSUDOZ-ZBFHGGJFSA-N 321.440 2.407 10 10 DECE Cc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c(O)c1O 871120552 QWYDAMSPNFBLJA-KGLIPLIRSA-N 305.374 2.484 10 10 DECE COCC1(CCNC(=O)NCc2cc(OC)ccc2O)CC1 1118186601 HLNIZJLZQGYTNN-UHFFFAOYSA-N 308.378 2.017 10 10 DECE C[C@@H](Cc1ccc(O)cc1)N1Cc2c(O)cc(O)cc2[C@H](O)C1 888085110 UKGGVIFYDPDSAG-BBATYDOGSA-N 315.369 2.284 10 10 DECE O=C(NCCc1cc(F)c(F)c(F)c1)c1cccc(O)c1O 790923589 WNVLARKCIHDHEN-UHFFFAOYSA-N 311.259 2.488 10 10 DECE CN(C)c1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1 788266034 LYZQGKKPLSXBHT-UHFFFAOYSA-N 323.194 2.168 10 10 DECE C[C@H]1CCN(c2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1959560142 DSSBFDXTVULHHT-CABZTGNLSA-N 301.312 2.162 10 10 DECE 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Nc1ccc(CNC(=O)c2ncc(Br)cc2F)cc1 2111269746 FWGSWNNBQGLQLC-UHFFFAOYSA-N 324.153 2.495 10 10 DECE O=C(O)[C@H]1CSCCN(Cc2ccc(Cl)cc2O)C1 2097295418 OBXLCTNZJRTNHJ-SNVBAGLBSA-N 301.795 2.295 10 10 DECE CN(C)C[C@H]1C=CCN1c1ccc(CN)c(Br)c1 2222806655 IVNOLGRSCCKPCD-CYBMUJFWSA-N 310.239 2.214 10 10 DECE COc1ccc2c(c1)CCN2C(=O)/C=C/c1cnc(OC)nc1 492648784 LQCDKLQUARZGDI-ZZXKWVIFSA-N 311.341 2.096 10 10 DECE Cc1ccc(CN2CC[C@H](O)[C@@H]2C)c(O)c1Br 2307438110 AEWRGVJIANTURW-ONGXEEELSA-N 300.196 2.418 10 10 DECE CC[C@H](N)CC(=O)NCc1ccc(C)c(Br)c1O 2327802204 XUQGSADNSVCKAI-JTQLQIEISA-N 315.211 2.207 10 10 DECE CCCCC(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62192118 ITWDDTCMHZLPQO-UHFFFAOYSA-N 319.405 2.102 10 10 DECE CC(=O)c1cc(F)cc(CN2CCN(C(=O)C(C)C)CC2)c1O 79385739 LBRSVSPNFDEIRG-UHFFFAOYSA-N 322.380 2.034 10 10 DECE Cc1cc(Cl)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O 180085029 JSWTVXAEOCQWMH-CHWSQXEVSA-N 312.841 2.241 10 10 DECE COc1cccc(O)c1[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C 1952457416 FXLPMVNVQZEJIB-MNOVXSKESA-N 308.378 2.410 10 10 DECE COC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 93337667 XPBOCDQJBNDBEG-QGZVFWFLSA-N 304.434 2.382 10 10 DECE CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 248802479 AJIVHYKBGLEJGW-KGLIPLIRSA-N 303.362 2.354 10 10 DECE CNC(=O)c1ccc(/C=C\C(=O)NCCc2ccc(N)cc2)cc1 254987114 YDUNDPLCIUULDC-WDZFZDKYSA-N 323.396 2.001 10 10 DECE CC(=O)C(=O)COC(=O)/C=C(\C)c1ccccc1OC(F)F 808525337 ARTYZJXLVLRZAP-VQHVLOKHSA-N 312.268 2.393 10 10 DECE CN(C)c1ccc([C@H](N)CN[C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 817942999 SMOKHZLRYOFGDF-MANSERQUSA-N 316.493 2.215 10 10 DECE CC[C@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823523813 KKXDCXQDDBQGHI-HNNXBMFYSA-N 317.433 2.342 10 10 DECE CSCCCC(=O)NCc1ccc(N2CCOCC2)cc1 736072529 MPTSRTKMGLZDHV-UHFFFAOYSA-N 308.447 2.283 10 10 DECE O=C(/C=C/c1cnccn1)N1CCCc2ccc([N+](=O)[O-])cc21 491893533 PIYMKQUUINCHCK-GQCTYLIASA-N 310.313 2.377 10 10 DECE O=C1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 843884837 DAVCDMJBTVLTSK-QMMMGPOBSA-N 312.163 2.140 10 10 DECE Cc1cc(CN[C@H]2CCOC23CCOCC3)ccc1N(C)C 925434775 MHICNTRNOBOCNR-KRWDZBQOSA-N 304.434 2.489 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)/C=C/[C@@H]2CCCO2)cc1 844855825 AWWSAJICYSFSEW-DVQDXYAYSA-N 318.417 2.325 10 10 DECE CC1(C)O[C@H]2C[C@H](NC(=O)N3Cc4cccc(O)c4C3)C[C@H]2O1 927370923 QEEUZGADVCRSAO-UWEBFBLFSA-N 318.373 2.100 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1F 1341695942 IAXJLPKOGILKIJ-SQWLQELKSA-N 319.424 2.429 10 10 DECE CCn1nnc(C)c1COc1ccc(N(C)C)c(C(=O)OC)c1 865395251 NOPANDSTYIZLIS-UHFFFAOYSA-N 318.377 2.038 10 10 DECE CCc1ncc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 867833933 ICIZFTXSVOHDPT-VIFPVBQESA-N 312.416 2.451 10 10 DECE CCO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCC1 869883159 SZJLBGHRIMENCL-INIZCTEOSA-N 322.357 2.419 10 10 DECE COc1cc2c(c(OC)c1)N(C[C@@H]1CCC3(COC3)O1)CCC2 930722219 NGSCUQZQTXBKEC-AWEZNQCLSA-N 319.401 2.404 10 10 DECE COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 776246809 UMNQFFHAVDMDSC-GXTWGEPZSA-N 319.405 2.018 10 10 DECE CN(C)c1ccc(CNCCN2C[C@H]3CCCCN3C2=O)cc1 895343487 SCFSUEMYUDKKGE-QGZVFWFLSA-N 316.449 2.132 10 10 DECE CN(C)c1ccc(CN2C[C@H]3C[C@]3(O)C2)c(C(F)(F)F)c1 895652705 JIPXLYVPABIMKK-RISCZKNCSA-N 300.324 2.338 10 10 DECE CCOC(=O)[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 896867586 FUBRKMKOZFYPMC-QMMMGPOBSA-N 323.370 2.242 10 10 DECE COc1ccc(CNC(=O)Nc2cc(C3CC3)nn2C)c(O)c1 1326695406 UQJBMBGPIXWOMY-UHFFFAOYSA-N 316.361 2.333 10 10 DECE CN1CCN(c2ccc(CN[C@@H]3CCOC3(C)C)cc2F)CC1 1330534307 XUKQUHYOQQYSCI-QGZVFWFLSA-N 321.440 2.235 10 10 DECE COc1ccc(CNC(=O)c2ccc(C3CC3)nc2O)c(O)c1 1448379294 HABVDGVLVRAJJG-UHFFFAOYSA-N 314.341 2.309 10 10 DECE O=C(O)Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 211641899 NHDJBZVTBKDJEX-UHFFFAOYSA-N 317.341 2.112 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(O)[C@H](N)c1ccccc1O 1920074272 FJIFUZGOEZKNBO-CKEIUWERSA-N 322.405 2.200 10 10 DECE NCc1ccc(N2CC3(CCC4(CC3)OCCO4)C2)c(F)c1 1923475157 HACLLMPRWMQXAM-UHFFFAOYSA-N 306.381 2.408 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2conc2C)cc1C 1480528307 FELIWZVAGKNGGW-LBPRGKRZSA-N 317.389 2.208 10 10 DECE Cn1cc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 1559062462 YKGQRBQFHJGJBD-UHFFFAOYSA-N 324.344 2.498 10 10 DECE CC(C)C[C@]1(CO)CCCN1C(=O)Cc1ccc(O)c(O)c1 1635772687 KNSSFASJDSHDRX-KRWDZBQOSA-N 307.390 2.040 10 10 DECE CC[C@@]1(C(=O)NCc2c(O)ccc3ccccc23)CCNC1=O 1652708507 FHWISQWYYGAPEI-GOSISDBHSA-N 312.369 2.078 10 10 DECE C[C@@H](NC(=O)/C(Cl)=C(/Cl)C(=O)O)c1ccccc1O 2139064817 JTWAVDXOVQVYEC-AKIGOBDWSA-N 304.129 2.343 10 10 DECE CN(C)C(=O)C1(NCc2cc(Cl)cc(Cl)c2O)CC1 840958788 SOLNBGKNZPEEMC-UHFFFAOYSA-N 303.189 2.409 10 10 DECE NC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1Cl 1148219195 WPPLTGCUUQNDQZ-UHFFFAOYSA-N 306.705 2.102 10 10 DECE CC(=O)N(C)CCN(C)Cc1ccc(Br)cc1O 1970171050 HVJKRZDBTHWPTM-UHFFFAOYSA-N 315.211 2.065 10 10 DECE CC(C)(C)OC(=O)NCc1nc(C(=O)NCCCN=[N+]=[N-])co1 1985103531 WTZHLMVUNXNNBJ-UHFFFAOYSA-N 324.341 2.130 10 10 DECE N[C@@H]1CC(C(=O)N(Cc2ccccc2)c2ccccc2)=C[C@H]1O 1987699422 REXLGTZNXRGTFI-QZTJIDSGSA-N 308.381 2.238 10 10 DECE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1c(O)cccc1Cl 2152903644 BSLJCYRBEWCOKY-OCCSQVGLSA-N 317.838 2.491 10 10 DECE Oc1cccc(Br)c1CNC[C@H]1CCC[C@@H]1O 706846214 DAVZGCWFJAKZNM-SKDRFNHKSA-N 300.196 2.405 10 10 DECE O=C(NCc1ccc(Br)o1)c1ccc(O)c(O)c1 378938743 GGOOAENESFPPMA-UHFFFAOYSA-N 312.119 2.383 10 10 DECE O=C1Nc2cc(N3C[C@H](F)C[C@@H](F)C3)c(Cl)cc2[C@H]1O 2182598946 LIMIEAGNYXLBSJ-NQYJQULFSA-N 302.708 2.212 10 10 DECE CN(C[C@@H]1OCC[C@@H]1F)c1ccc(CN)c(Br)c1 2058680611 QMWFSNGVUNSYSV-STQMWFEESA-N 317.202 2.471 10 10 DECE CC[C@@H]1CN(c2ccc(CO)cc2Br)C[C@H]1CO 2084893642 MUZNGRIKXMGCGW-NEPJUHHUSA-N 314.223 2.396 10 10 DECE CNCc1ccc(N2CC[S@](=O)C(C)(C)C2)c(Cl)c1 2114530786 NUJUGHWIXDRNTC-IBGZPJMESA-N 300.855 2.407 10 10 DECE OCc1ccc(N2CC[C@@H]3[C@H](O)C[C@H]3C2)cc1Br 2217845923 WSSFKCVJMOYSQZ-VHRBIJSZSA-N 312.207 2.149 10 10 DECE COC[C@H](CF)NCc1c(Br)ccc(OC)c1O 2220450342 DIVIBMOCRJTAAZ-QMMMGPOBSA-N 322.174 2.237 10 10 DECE Nc1ccc(CCN=c2cc(N)c(Br)c[nH]2)cc1 2223232457 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312.255 2.467 10 10 DECE C[C@@H]1[C@H](CO)CCN1c1cc(Br)c(CN)cc1F 385608715 DYLLYHVZSGDZNA-BDAKNGLRSA-N 317.202 2.254 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)C[C@H]1C[C@H]1C(C)(F)F 2164653456 ZNYMOMIJOYZVNB-BXKDBHETSA-N 304.362 2.326 10 10 DECE C[C@H](c1cc(F)ccc1O)N1CCS(=O)(=O)C(C)(C)C1 2170453199 RUCMUHLPTHZXBH-SNVBAGLBSA-N 301.383 2.101 10 10 DECE CCN(c1ccc([C@@H](C)O)cc1F)[C@@H](C)CS(C)(=O)=O 2170418631 FIFGUTOYOPSLJG-WDEREUQCSA-N 303.399 2.138 10 10 DECE O=[N+]([O-])c1cc(CO)ccc1N1CCSCC(F)(F)C1 2193334731 ZSUMQUGGHVKQQG-UHFFFAOYSA-N 304.318 2.276 10 10 DECE Cc1ncn(C)c1CNCc1cc(Br)ccc1O 2068325433 RMIFNMHTULMKRL-UHFFFAOYSA-N 310.195 2.486 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1n[nH]cc1Br 2070681577 PXNXRQDCDKRQHT-UHFFFAOYSA-N 309.167 2.027 10 10 DECE CN(c1ccc(CN)cc1Br)[C@H]1COCC1(F)F 2076374254 MGPJLXVDZCBBTE-NSHDSACASA-N 321.165 2.378 10 10 DECE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)CCC12CC2 2210275504 MCCKNCAJHPATFN-LLVKDONJSA-N 321.381 2.440 10 10 DECE 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303.366 2.063 10 10 DECE COC(=O)c1ccc(CC(=O)NCc2cc(C)ccc2O)cc1 1641733300 PZHSOMWMRPDOSS-UHFFFAOYSA-N 313.353 2.346 10 10 DECE Cc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)[nH]c1C 1587804973 DMUBHEDRCLYSAM-UHFFFAOYSA-N 300.322 2.119 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCN1C 1687680434 XNMDMHJDXOVSPH-KRWDZBQOSA-N 316.449 2.132 10 10 DECE CC(C)NC(=O)CCCCCN1C(=O)[C@H](C)SC1=S 11636609 DHILWSNDRGMJCB-JTQLQIEISA-N 302.465 2.320 10 10 DECE Nc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1865956832 HPSGQCZJZPQZQG-UHFFFAOYSA-N 316.273 2.266 10 10 DECE CNCc1ccc(N2CCn3ccnc3C2)cc1Br 234435504 IXTJJNVSFLZIPI-UHFFFAOYSA-N 321.222 2.385 10 10 DECE C[C@@]1(CNCc2cccc(Br)c2O)COCCO1 1967800707 ZCSLFUDEYMDRGC-CYBMUJFWSA-N 316.195 2.050 10 10 DECE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1cccc(O)c1O 1982315350 WTCIUKBNFNVMLJ-UHFFFAOYSA-N 320.345 2.262 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@](CO)(Nc2ccc(N)cc2)C1 1988735397 FKIVNXIEFYDJQP-QGZVFWFLSA-N 321.421 2.443 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H]2COC[C@@H]21 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DECE C[C@H](CN(C)Cc1cc(N)ccc1O)NC(=O)OC(C)(C)C 1959521211 SZLBVPLVKRWFTD-LLVKDONJSA-N 309.410 2.319 10 10 DECE O=C(NCc1cc(Cl)ccc1O)NCc1cccnc1O 1233994526 QXIBSCZWUCKWFH-UHFFFAOYSA-N 307.737 2.146 10 10 DECE COc1sccc1S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 1912198373 FYYNBSLQABBZKM-QMMMGPOBSA-N 302.381 2.220 10 10 DECE Cn1nc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cc1Br 1912189776 YKTHYFMMVXAQLT-SSDOTTSWSA-N 313.159 2.098 10 10 DECE O=C(CCCn1cncn1)NCc1c(O)ccc2ccccc12 1456311358 SUJVEOHJJWSOBT-UHFFFAOYSA-N 310.357 2.234 10 10 DECE NC[C@H]1C[C@H](F)CN1Cc1ccc(Br)cc1O 1923578692 IXARHIYWWCQAPL-WDEREUQCSA-N 303.175 2.026 10 10 DECE CC(C)[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCOCC2 1630016840 BCSDHKUWXGNTPI-QGZVFWFLSA-N 319.401 2.304 10 10 DECE C=CC(=O)Nc1cccc(C(=O)NCc2cccc(O)c2O)c1 1637046761 XNZGOVWTMNPNAP-UHFFFAOYSA-N 312.325 2.152 10 10 DECE Cn1cnc(/C=C\C(=O)N2CCCc3c2ccc2c3ncn2C)c1 1637637462 MCYOHGBKOUCLMZ-YVMONPNESA-N 321.384 2.299 10 10 DECE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1566008134 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[N-]=[N+]=NCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404208919 VNWQFBGIXFEXEV-HZPDHXFCSA-N 301.394 2.272 10 10 DECE CN(C[C@H]1C[C@@H](O)C1)c1ccc(CN)c(Br)c1F 703663602 TWNCBBGUFQUQPK-WAAGHKOSSA-N 317.202 2.254 10 10 DECE NCc1ccc(N2CC(n3cccn3)C2)c(Br)c1 708273593 LNHMPXMQRRRJTC-UHFFFAOYSA-N 307.195 2.166 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N(C)[C@H](C)CS(C)(=O)=O 688543417 NHGWUAWKYXSYEI-ZJUUUORDSA-N 305.827 2.472 10 10 DECE CC(C)Cn1cccc(C(=O)Nc2ccc(O)c(O)c2)c1=O 2062166722 RPGFNMKMFGCSNO-UHFFFAOYSA-N 302.330 2.168 10 10 DECE COc1ccc(O)c(Cn2ncc(OC)c2Br)c1 2070287460 CVQNGBSJOWRCOD-UHFFFAOYSA-N 313.151 2.417 10 10 DECE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)C)c(N)c1C(N)=O 2079127594 RAGNDMCXEIPISB-OAHLLOKOSA-N 316.405 2.386 10 10 DECE Nc1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 2191765818 OCKSTZOMPJZWJP-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CC[C@@H](C)[C@@H](CN)NCc1cc(Br)c(O)cc1O 2264141369 LRMMYLLFBVFPIM-LDYMZIIASA-N 317.227 2.323 10 10 DECE CC[C@H](C)[C@H](NCc1cccc(Br)c1O)C(N)=O 2264157404 WLTONCLLKYYSHN-KWQFWETISA-N 315.211 2.144 10 10 DECE CSc1ncc(CNC(=O)N(C2CC2)[C@H](C)C(=O)O)s1 2284544418 PELZYGDOCITSFN-SSDOTTSWSA-N 315.420 2.012 10 10 DECE Oc1c(F)cc(Br)cc1CNC[C@H]1[C@@H]2CCO[C@@H]21 2309868645 HWLXUTZKBNAESI-KWBADKCTSA-N 316.170 2.418 10 10 DECE Cn1nccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 174938662 GTFURSSOSFGNKV-UHFFFAOYSA-N 314.389 2.004 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)CC(C)C 305066471 NBAKSJDHAGLPOC-ZDUSSCGKSA-N 315.373 2.387 10 10 DECE CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C 190413006 WKONKBDPZVEHGZ-BBRMVZONSA-N 305.422 2.319 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)cc(C)c1Br 808537665 QPZGBFIMRMXKPX-UHFFFAOYSA-N 313.147 2.381 10 10 DECE CC1(C)NC(=O)CC[C@H]1NCc1ccc(N2CCCC2)cc1 801733647 UFZCQZHDOCMXBH-MRXNPFEDSA-N 301.434 2.434 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(C2CC2)nc1 295747981 NLBGVHOLRYHAKO-SNVBAGLBSA-N 313.357 2.126 10 10 DECE CCN(CC)c1ccc(CN2CC(=O)N(C)[C@H](C)C2)cc1F 800537827 GVPTZZZBNGARAM-CYBMUJFWSA-N 307.413 2.334 10 10 DECE N[C@@H](c1cccc(Br)c1O)[C@H](O)C(F)(F)F 396761941 ONHIKDUCXWTMGS-XPUUQOCRSA-N 300.074 2.078 10 10 DECE CC[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 817415656 WGZSKANWOBWTTM-NWDGAFQWSA-N 310.350 2.356 10 10 DECE COC(=O)[C@H]1CSCCN(Cc2ccc(N(C)C)cc2)C1 839672498 VCWBLCZFXHNULE-CQSZACIVSA-N 308.447 2.091 10 10 DECE Cc1cc(C)c(O)c(CN2CCOC[C@H]2c2ccnn2C)c1 844755332 HKXVVGSNASNIDY-INIZCTEOSA-N 301.390 2.316 10 10 DECE Cc1cc(O)c(CN2CCN(c3cnccn3)CC2)c(Cl)c1 840910691 PTAFKBDIAMDEJL-UHFFFAOYSA-N 318.808 2.466 10 10 DECE CC[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCCO1 848603042 KANWSEYZTVGLPF-HZPDHXFCSA-N 305.422 2.458 10 10 DECE O=C(NCc1c(O)cccc1F)c1coc(C2CCOCC2)n1 928708523 NMQBLURAEFAAGC-UHFFFAOYSA-N 320.320 2.343 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)C2CCC2)c1O 850349456 FOOFKBPXDIBUMQ-NSHDSACASA-N 300.742 2.204 10 10 DECE Cc1cc(CC(=O)N[C@@H](CO)CCF)c(C)n1-c1ccccc1 855030434 LYXNSASWVFZATA-MRXNPFEDSA-N 318.392 2.473 10 10 DECE O=[S@](CCNCc1ccc2c(c1)CCO2)CC(F)(F)F 850348270 IMGADHFUGKGFHG-HXUWFJFHSA-N 307.337 2.022 10 10 DECE C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 868898411 JSZNKFULVCYKDN-UHIISALHSA-N 309.385 2.257 10 10 DECE CN(C)Cc1cc(NC(=O)NCc2c(O)cccc2F)ccn1 932175298 XAYWWGWWULKFRH-UHFFFAOYSA-N 318.352 2.310 10 10 DECE CCN(C)c1ccc(CN2CCN3C(=O)OCC[C@@H]3C2)cc1 773825429 XEWFATHBCUIQPJ-MRXNPFEDSA-N 303.406 2.169 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](CF)C1 897968596 RPNVEYANQHBJMH-VIFPVBQESA-N 311.334 2.123 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N(CCO)C1CCC1 897507193 RSWPJZYPLDMCCZ-UHFFFAOYSA-N 307.371 2.300 10 10 DECE O=C(NCc1ccccc1O)c1ccnc(-c2ccccn2)n1 1137471453 LKOMGGACWBRRCN-UHFFFAOYSA-N 306.325 2.174 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(OCCO)CCOC1 1327265808 FJGRXNNASQWODF-GLJUWKHASA-N 321.417 2.007 10 10 DECE CN1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1=O 2131975825 JVDADJUTNCPARK-JTQLQIEISA-N 303.189 2.409 10 10 DECE CCOC(OCC)[C@H](C)NC(=O)NCc1c(O)cccc1F 1471630212 QVJXVKKXICZSHK-JTQLQIEISA-N 314.357 2.118 10 10 DECE Nc1c(F)cc(Cl)cc1C(=O)NCc1ccc(O)cc1O 1557084607 GZEUJXMAFYOEBP-UHFFFAOYSA-N 310.712 2.403 10 10 DECE Cc1nn(C)cc1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1636094088 AQXPLJYZLYQEDO-CQSZACIVSA-N 315.373 2.046 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 1630084501 JYDDUUJZWAXHIQ-JEBQAFNWSA-N 313.328 2.234 10 10 DECE CCn1cc(CC(=O)NCc2ccc3cccnc3c2O)cn1 1639621647 NOWGLOOALZOGKR-UHFFFAOYSA-N 310.357 2.016 10 10 DECE O=C(NCc1c(O)cccc1O)c1cccnc1OCC(F)F 1647270231 OMLMVJDZIDTZAT-UHFFFAOYSA-N 324.283 2.067 10 10 DECE CC(C)Oc1cccnc1C(=O)NCc1cc(O)ccc1O 1651225513 MTRFAGZJOUKUEH-UHFFFAOYSA-N 302.330 2.210 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1cccnc1C 1584257437 RMECBHDZGAXSCU-KHPPLWFESA-N 309.369 2.426 10 10 DECE COc1ccc(CNCCN(C)C(=O)C[C@H]2CCCO2)cc1C 1663829492 GYUPTVGNWWRTCI-MRXNPFEDSA-N 320.433 2.121 10 10 DECE C[C@H](N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1937554364 JBSGTJXEZBZNCS-FPMFFAJLSA-N 322.405 2.335 10 10 DECE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562136 AZPBVLRZOYNUBF-SECBINFHSA-N 317.415 2.011 10 10 DECE O=C(N[C@@H](C(=O)O)c1cc(O)ccc1O)OCc1ccccc1 1951385650 OJYVJDMTCBKEBT-CQSZACIVSA-N 317.297 2.150 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNCc1ccc(O)c(O)c1 1982119161 JSHMWEKIKYQGHT-QWHCGFSZSA-N 322.405 2.348 10 10 DECE CNCc1ccc(N2CC[C@@H](O)[C@H](F)C2)cc1Br 2027972369 KLAVNXRTXRPYIB-CHWSQXEVSA-N 317.202 2.078 10 10 DECE CCNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Cl 706911196 HBKJMBRYYYCPRG-NSHDSACASA-N 316.854 2.073 10 10 DECE CN1CCc2cc(CN[C@H]3CCCC4(C3)OCCO4)ccc21 715634034 ZYYXDRDFNZTRKE-INIZCTEOSA-N 302.418 2.454 10 10 DECE CC1(C)CN(c2cc(Br)c(CN)cc2F)C[C@@H]1O 387738307 XSFGIJZINHPHIL-LBPRGKRZSA-N 317.202 2.254 10 10 DECE NCc1cc(F)c(N2C[C@H]3CCO[C@H]3C2)cc1Br 2051994236 ZKAXKPYXHVSMGD-OQPBUACISA-N 315.186 2.272 10 10 DECE OCc1ccc(N2C[C@@H]3CC[C@@]3(CO)C2)c(Br)c1 2078149992 CNRSPWJFMNNAOJ-FZMZJTMJSA-N 312.207 2.150 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2211748182 LVTREYTUWHGIRZ-ABAIWWIYSA-N 321.381 2.463 10 10 DECE Cn1nc(CNCc2ccc(O)c(O)c2)c(Cl)c1Cl 2094366670 UUWRLSWAEJMISR-UHFFFAOYSA-N 302.161 2.428 10 10 DECE CCNCc1cnc(SC[C@H](OC)[C@H]2CCOC2)s1 2274605004 UBFRZCNYCLQLLK-JQWIXIFHSA-N 302.465 2.396 10 10 DECE CSc1ncc(CNC(=O)[C@]2(N)C[C@@H]3CCCC[C@@H]32)s1 2288288833 YVTSJOJGGAPTEZ-CHIMOYNISA-N 311.476 2.389 10 10 DECE CCN1C(=O)C(=CNc2ccc(C)c(Cl)c2)C(=O)NC1=S 2297365555 GWHLTMNXEBTQQM-UHFFFAOYSA-N 323.805 2.207 10 10 DECE Cc1ccc(CN2CC([C@@H](C)O)C2)c(O)c1Br 2307476891 GNODVVRCQRFUNC-SECBINFHSA-N 300.196 2.276 10 10 DECE NC(=O)C1CCN(N=Nc2ccc(N3CCCC3)cc2)CC1 2330331077 XOCRJUPOSVUEER-UHFFFAOYSA-N 301.394 2.483 10 10 DECE COc1cccc([C@@H]2[C@@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952302548 KERQAQBEAHDTMD-WCQYABFASA-N 308.378 2.410 10 10 DECE Nc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 38055680 OWXDYUWWMSTQPL-UHFFFAOYSA-N 300.343 2.291 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1c(O)cc(O)cc1O 1952458390 VVTIHMDRCADKLT-NSHDSACASA-N 324.377 2.075 10 10 DECE COc1ncc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl 802779470 YBPYNTJYRFXNRB-UHFFFAOYSA-N 322.748 2.127 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(F)cc2)n1C 808511566 COPAVSBKSQWIPK-UHFFFAOYSA-N 303.289 2.146 10 10 DECE COc1cccc(CNC(=O)NC[C@@H]2CCOC2(C)C)c1O 823750198 KTMJNJWUGXHPND-LBPRGKRZSA-N 308.378 2.015 10 10 DECE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)N1CCCC1 835053324 VPKLWFXJEHVXQL-LFAOLKIESA-N 301.434 2.366 10 10 DECE C[C@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(F)c2F)C1 830184870 QYQYVILSTMPAQF-QMMMGPOBSA-N 306.334 2.059 10 10 DECE COc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)c1 844913061 YFPHRALUAHFWJF-KYJSFNMBSA-N 320.433 2.262 10 10 DECE CN1CCCN(C(=O)C=C2CCNCC2)c2ccc(F)cc21 852870738 QVSFJMBHAUDGQS-UHFFFAOYSA-N 303.381 2.308 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN[C@H]2c3ccccc3CC[C@H]2O)c1 922988237 ONSFGNLBPHARGW-SJORKVTESA-N 314.341 2.438 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CCC3(OC)OC)C2)cc1 926681237 XBVAWZAMQVVKRA-BBRMVZONSA-N 306.406 2.015 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3c(C)noc3C)C2)cc1 855228433 CKEMUIBLWLJHNH-CYBMUJFWSA-N 315.373 2.309 10 10 DECE Cn1ncc(C(F)(F)F)c1CNC(=O)c1cc(O)cs1 862420724 SVXUVAYTVOXGBX-UHFFFAOYSA-N 305.281 2.136 10 10 DECE C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1O 868763712 CPTYZVMJALXTEH-CKYFFXLPSA-N 301.350 2.050 10 10 DECE Cc1ncc(NCc2cc(F)c(N(C)C)cc2F)cc1C(N)=O 865295924 NKIZNQCDDDIJGG-UHFFFAOYSA-N 320.343 2.445 10 10 DECE CCOc1ccc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)c1 768191426 HHUTUKNHMIVKHH-QGZVFWFLSA-N 320.433 2.088 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)C12CC(C1)C2 862225881 KBRIGPYCQLJVNB-UHFFFAOYSA-N 300.402 2.064 10 10 DECE CC(C)COc1ccccc1NC[C@H](O)CC1(O)CCOCC1 872213031 VHVPBWFZYPHCEQ-OAHLLOKOSA-N 323.433 2.426 10 10 DECE COC(=O)/C=C/c1ccc(N2CCC[C@H]2CCO)c([N+](=O)[O-])c1 777822312 JJTFBOAXISDATH-IYNGYCSASA-N 320.345 2.132 10 10 DECE O=C1NC(C(=O)O)=C(c2ccccc2)[C@H](c2ccccc2O)N1 76254984 HHAVJWNZPCJXRC-AWEZNQCLSA-N 310.309 2.242 10 10 DECE C[C@@H](CC(=O)N(C)C)NCc1ccc(Br)cc1O 691485508 BCYNTGLOESKCQU-VIFPVBQESA-N 315.211 2.111 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)C[C@@H]1CCCN1 715765286 FHDGLSJWBVJVBY-NSHDSACASA-N 317.202 2.478 10 10 DECE O=C(NCc1c(O)cccc1O)c1cn(-c2ccccc2)cn1 1178917805 SODZEHHTXLFAQF-UHFFFAOYSA-N 309.325 2.214 10 10 DECE COC(=O)[C@@H]1CN(C(=O)/C=C(/C)c2cnccn2)c2ccccc21 1525278792 YQXPLEOXNUOEOM-FWLQQBITSA-N 323.352 2.183 10 10 DECE COc1cccc(CN[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1O 227562885 NBEUUXCWWBQXKN-NWDGAFQWSA-N 308.378 2.156 10 10 DECE Cn1cc(-c2cccc(C(=O)NCc3cc(O)ccc3O)c2)cn1 1558174921 COLFYELNJUVQEP-UHFFFAOYSA-N 323.352 2.428 10 10 DECE O=C(CSc1ccc(O)cc1)NCc1ccc(O)cc1O 1570462260 LRUGJFGGTCKLJO-UHFFFAOYSA-N 305.355 2.212 10 10 DECE COC(=O)c1cc(C)cc(C(=O)NCc2cc(O)ccc2O)c1 1644753805 KHLTYWKGWGZFMB-UHFFFAOYSA-N 315.325 2.123 10 10 DECE C[C@@](O)(CC(=O)NCc1c(O)cccc1F)c1ccccc1 1652298683 MZDHANRSNSLKPG-QGZVFWFLSA-N 303.333 2.445 10 10 DECE COc1cccc2c1CN(C(=O)c1c(F)ccc(O)c1O)CC2 1654574386 GZKFSAKCCMRWDW-UHFFFAOYSA-N 317.316 2.444 10 10 DECE Nc1ccc(Cc2n[nH]c(=O)n2-c2cccc(Cl)c2)cc1 161033376 VERKZHPBEDVPIZ-UHFFFAOYSA-N 300.749 2.387 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(Cl)c1 160411449 KJHZVTZDIZBGEL-SUHUHFCYSA-N 307.825 2.465 10 10 DECE CCOc1ccccc1NC1=NC(=O)/C(=C\C(=O)OC)S1 6177528 GZOHCKTZHPLYRP-DHZHZOJOSA-N 306.343 2.184 10 10 DECE O=C(O)CN=NNc1ccc(I)cc1 1860491224 LRXKFWSJEILHBC-UHFFFAOYSA-N 305.075 2.155 10 10 DECE COc1cccc(Cc2nnc(=Nc3ccccc3O)[nH]c2O)c1 1859426505 DGAHEHBBKFXKKG-UHFFFAOYSA-N 324.340 2.048 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H](N)c1ccccc1O 1936974735 LLQDFOMTHKPTDM-JSGCOSHPSA-N 322.405 2.418 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 2144164424 HXNHUYPUZRNKQD-GARJFASQSA-N 315.822 2.083 10 10 DECE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCC[C@H]1OCc1ccccc1 1977528694 YHZTYQVYYUYEJB-ZBFHGGJFSA-N 317.393 2.270 10 10 DECE COc1ccc(N(C)C[C@H](C)N)c(OC)c1Br 1999169904 ZIFCZHWDQBKNRL-QMMMGPOBSA-N 303.200 2.250 10 10 DECE NCc1cc(F)c(N2C[C@@H]3COC[C@H]3C2)cc1Br 718242465 HXUQIWUKLDQSQM-NXEZZACHSA-N 315.186 2.130 10 10 DECE CCCC(=O)NCCNCc1cccc(Br)c1O 393042991 FVFDMTVTDGMYNM-UHFFFAOYSA-N 315.211 2.161 10 10 DECE C[C@H](C[S@@](C)=O)N(C)c1ccc(CN)c(C(F)(F)F)c1 398922066 VDBMYIPHBLEFHB-GSDQLPOLSA-N 308.369 2.367 10 10 DECE CCOC(=O)c1cn(Cc2cc([N+](=O)[O-])ccc2O)nc1C 2070248920 IGYBYRATRHICID-UHFFFAOYSA-N 305.290 2.030 10 10 DECE COc1cc(Cl)cc(CN[C@H](CO)c2cscn2)c1O 2175641442 QCEPGKXAUOCLTH-SNVBAGLBSA-N 314.794 2.334 10 10 DECE CN(c1ccc(CN)cc1Br)[C@H]1CCOC[C@H]1F 2066652754 ODGYWMSQRQTKMZ-YPMHNXCESA-N 317.202 2.471 10 10 DECE CSc1ncc(CN=c2[nH]c(=N)[nH]cc2C(F)(F)F)s1 2284709642 FKDOXTVWLXNECH-UHFFFAOYSA-N 321.353 2.120 10 10 DECE CC(C)[C@@H](CO)N(C)c1ccc(CO)c(Br)c1 2302595724 LQUYURRBBXJROY-CYBMUJFWSA-N 302.212 2.395 10 10 DECE NCc1ccc(N2[C@H]3CC[C@H](C3)[C@@H]2CO)cc1Br 2310099462 OJSONMAVIUIXJY-PUYPPJJSSA-N 311.223 2.257 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]21 2354099950 ZCEDXYMAIOYVOY-CWSCBRNRSA-N 315.822 2.226 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)Cc3cscn3)ccc21 105502742 SAEVZIIRMSLGPB-CQSZACIVSA-N 302.403 2.382 10 10 DECE COCCNCc1cc(OC)nc(Sc2nccs2)c1 2364725756 IXQOUZOMSXIBHE-UHFFFAOYSA-N 311.432 2.434 10 10 DECE CCN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 36870144 MIWIBEZJMXWGSJ-WCQYABFASA-N 314.426 2.120 10 10 DECE Cc1c(/C=C\C(=O)N2CCOc3cc(F)ccc32)cnn1C 255738467 WEHZCTKVKFVADT-UTCJRWHESA-N 301.321 2.306 10 10 DECE CN(CC[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1952851068 GFIRBURHDHHFHQ-GFCCVEGCSA-N 310.394 2.225 10 10 DECE CC(=O)c1ccc2c(c1)N(OCc1ccc(N)cc1)C(=O)CO2 821297570 PHULVXACTCIYNT-UHFFFAOYSA-N 312.325 2.329 10 10 DECE COc1cc(O)c(CN2CC[C@@H](c3noc(C)n3)C2)cc1OC 905683941 XLLJGCNAHDUJGJ-LLVKDONJSA-N 319.361 2.090 10 10 DECE CCS(=O)(=O)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 835040420 PCCRKEFBCYOUCE-PSKZRQQASA-N 310.463 2.179 10 10 DECE COc1ccc(N(C)Cc2ccc(C(=O)O)cn2)c(OC)c1 846251525 KHTQXFIKUWEVCA-UHFFFAOYSA-N 302.330 2.433 10 10 DECE CC[C@@](C)(N)c1ccc(I)c(N)c1O 687758065 PCPLDNPGPPFCLX-SNVBAGLBSA-N 306.147 2.163 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C 925313808 PNVPMXDJSIVUEZ-WMLDXEAASA-N 318.465 2.377 10 10 DECE C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 765283185 ZVLAONIAFSUDOZ-GOEBONIOSA-N 321.440 2.407 10 10 DECE C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccncc1 867302326 NVMZSRLCDWKCOJ-NEPJUHHUSA-N 300.358 2.344 10 10 DECE CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 860696751 FCQVXGWAFHBBTH-MRVPVSSYSA-N 323.780 2.398 10 10 DECE CCOC(=O)C1=CC[C@H](NCc2cc(OC)c(OC)cc2O)C1 862488998 WQGTUAPTDQGPRL-ZDUSSCGKSA-N 321.373 2.151 10 10 DECE CN(C)c1ccc(CN2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1 760946404 CHBMAWLCFLPLCM-BMFZPTHFSA-N 313.401 2.315 10 10 DECE CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1 776434197 ADVKOIRIKDPGEY-UHFFFAOYSA-N 321.354 2.454 10 10 DECE CCc1cc(C(=O)Nc2c(Cl)ccc3nonc23)n(C)n1 1128604207 RMXOMESHLFMWQU-UHFFFAOYSA-N 305.725 2.424 10 10 DECE CC(=O)N[C@@](C)(C(=O)NCc1cccc(Cl)c1O)C(C)C 890763624 YZSXZPDESYBLIX-OAHLLOKOSA-N 312.797 2.213 10 10 DECE CO[C@@H](CCNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F 786823893 PPNIMZFVVQDUOW-NSHDSACASA-N 308.256 2.357 10 10 DECE C[C@H]1CCCCN1[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1136243536 GDHXZHGRCSXEPR-STQMWFEESA-N 306.406 2.019 10 10 DECE O=C(O)[C@@]12C[C@H]1CN(Cc1cc(Br)ccc1O)C2 703516329 FJHVZARTRONXAL-TVQRCGJNSA-N 312.163 2.061 10 10 DECE CCOc1ccc(O)c(CN2C[C@@H](O)CC3(CCOCC3)C2)c1 895722066 RCHARZVONHZHTN-HNNXBMFYSA-N 321.417 2.154 10 10 DECE N[C@@H]1[C@H]2C[C@H]1N(Cc1cc(Cl)cc(Br)c1O)C2 708133558 MADWKCLNNPHLNG-MQOMDTIOSA-N 317.614 2.340 10 10 DECE CN1CCc2cc([C@](C)(O)CNC(=O)OC(C)(C)C)ccc21 1959571661 UZWVHXVUFPCDCT-QGZVFWFLSA-N 306.406 2.411 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2[nH]cnc2c1 1157102862 QESJUBLCUJZVJC-UHFFFAOYSA-N 317.345 2.079 10 10 DECE CC(C)(C)OC(=O)NOCCCNCc1cccc(F)c1O 1621541776 FCQUUDMGYBCHHQ-UHFFFAOYSA-N 314.357 2.467 10 10 DECE CNCc1ccc(N2CC(C)(C[S@](C)=O)C2)c(Cl)c1 2129778092 YJBGZRKSTUYRFO-IBGZPJMESA-N 300.855 2.264 10 10 DECE CC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 227725398 BWNKYUWEOPGJQT-GFCCVEGCSA-N 310.394 2.491 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCN2CC)cc1F 1628769916 OROHXPJHZNYRJR-INIZCTEOSA-N 307.413 2.382 10 10 DECE CC(=O)Nc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1638034070 ABIOVSLZVAJZFJ-UHFFFAOYSA-N 304.277 2.448 10 10 DECE CCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)nc1 1635803457 GIGAVGYJIJPPMU-NSHDSACASA-N 314.341 2.455 10 10 DECE C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1O 1644182976 DGEOLIBLVAWPJT-LBPRGKRZSA-N 313.357 2.391 10 10 DECE Cc1cc(NC(=O)c2cc(O)cs2)cc(S(C)(=O)=O)c1 1650799234 FHGXRASTYDRKIR-UHFFFAOYSA-N 311.384 2.418 10 10 DECE CCOc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OC 1593873673 VZIGIRRSOVHGDC-UHFFFAOYSA-N 317.341 2.435 10 10 DECE NCCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1935727260 IVIJKYNLTWBTII-UHFFFAOYSA-N 314.385 2.018 10 10 DECE Cc1cc(=NC(=O)CCNCc2cc(Cl)ccc2O)cc[nH]1 1857854719 SVGKADLRRRMJOX-UHFFFAOYSA-N 319.792 2.289 10 10 DECE O=C1C[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2N1 2145060982 WHZHRARZMOGEFP-UFBFGSQYSA-N 315.200 2.409 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCc3ccc(N)cc3)C[C@@H]21 1978511628 INNVGSPPKGBJGA-ZSHCYNCHSA-N 317.433 2.266 10 10 DECE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(Cc1cc(N)ccc1O)C2 1981862367 NWNIFIKAEGKASN-KBPBESRZSA-N 319.405 2.168 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCCN=[N+]=[N-] 1985106378 ZFSRUTITNQCISX-DDHJBXDOSA-N 323.397 2.352 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H]4CC[C@@H]43)c(Cl)cc21 2152207573 RIKUIORGKPSYNG-UHTWSYAYSA-N 309.822 2.376 10 10 DECE NCc1cccc(S(=O)(=O)CCSc2nccs2)c1 166434805 ISOGMXRTECCNBQ-UHFFFAOYSA-N 314.457 2.168 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c(Br)c1 311661090 WXVVLYBSSKJWDI-LNNJMGJISA-N 323.234 2.113 10 10 DECE CP(C)(=O)[C@@H]1CCC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160827286 DVPQMVRQMJQLLA-PWSUYJOCSA-N 301.331 2.066 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CCN2CCC[C@H]12 706829217 QGCCTYZWVUNZCP-QWHCGFSZSA-N 311.223 2.481 10 10 DECE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC[C@H]1O 1911417472 UZKJKRLUHJXNMT-WRWORJQWSA-N 304.159 2.154 10 10 DECE CCn1cc(Br)c(=NCc2ccc(O)c(O)c2)[nH]1 2060841146 VMEYWODQPAAMLN-UHFFFAOYSA-N 312.167 2.111 10 10 DECE OCc1ccc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c(Br)c1 2065396163 COYSXKHVSYAFQO-ZSBIGDGJSA-N 312.207 2.149 10 10 DECE CCc1nc(Br)cc(=NCCc2ccc(N)cc2)[nH]1 2106052416 ILTXGQWTCCENLV-UHFFFAOYSA-N 321.222 2.460 10 10 DECE CSc1ncc(CNC[C@@H]2NCCSC2(C)C)s1 2257130602 HGKGVBIRFYHNBQ-JTQLQIEISA-N 303.522 2.438 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCCc1cn2ccccc2n1 2307982198 SLSQEGTYXUASNU-UHFFFAOYSA-N 323.352 2.118 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCCOc1cccc(F)c1 2307986404 VFPIAONPHFZOMU-UHFFFAOYSA-N 317.316 2.445 10 10 DECE COc1ccccc1C=C1SC(=S)N(C[C@H](C)O)C1=O 2323701595 ZESLGXJMZZETLF-VIFPVBQESA-N 309.412 2.277 10 10 DECE CC(=O)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N)cc1 170251217 YLXXKMZATIUSBR-JTQLQIEISA-N 321.377 2.062 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3ccc(O)c(O)c3)[C@H]2C1 300219336 YKBVYQFNWPWPMT-JYAVWHMHSA-N 320.389 2.053 10 10 DECE CC(C)(C)OC(=O)N1CCCN[C@H](c2cc(O)c(O)c(O)c2)C1 1952066220 MPBFIBLPHVIJCR-NSHDSACASA-N 324.377 2.075 10 10 DECE CCOC(=O)C[C@](C)(N)c1c(O)cccc1Br 1952004777 DMXLQKLWIWRFNT-LBPRGKRZSA-N 302.168 2.282 10 10 DECE CCOc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1O 128597675 HMNSGAUUJZGUIB-AWEZNQCLSA-N 316.405 2.295 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCn1cccn1 30169641 YXUYJJPZWFLUBI-UHFFFAOYSA-N 323.356 2.267 10 10 DECE CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)C(C)(C)C)nc12 74318047 JWSGLNJTVQYQQE-SNVBAGLBSA-N 320.393 2.136 10 10 DECE COC[C@@H](C)CNCc1ccc(N2CCC(CO)CC2)cc1 187709969 SECCNNRJTGBMMF-HNNXBMFYSA-N 306.450 2.267 10 10 DECE O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)c(F)c1 70329975 XHGJAMAPIRUMGZ-UHFFFAOYSA-N 312.278 2.240 10 10 DECE COCCN(C(=O)CCc1ccc(N)cc1)[C@@H]1CCSC1 40325228 RHYGPNKPNPINSX-OAHLLOKOSA-N 308.447 2.182 10 10 DECE COc1ccc([C@@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c(O)c1 1952761925 KKRIFPKYCVTYMI-BZNIZROVSA-N 323.345 2.225 10 10 DECE CCC[C@@H]1CN(Cc2ccc(OC)cc2O)CCN1CCOC 91858923 SQLDZJRSMXXGAV-MRXNPFEDSA-N 322.449 2.334 10 10 DECE CC[C@@H](C)NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 246158544 CZQITVOWBMZTJJ-GDBMZVCRSA-N 320.433 2.288 10 10 DECE C[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C 813861049 NTQMQHMYLHDQRS-CKEIUWERSA-N 322.474 2.056 10 10 DECE CC(C)(C)[C@H](c1cc([N+](=O)[O-])cc(F)c1O)N1CCNCC1 575285296 OKUAOVJMIODISF-AWEZNQCLSA-N 311.357 2.432 10 10 DECE OCCN1CCCC[C@H]1CNCc1c(O)ccc(Cl)c1F 824582640 BSCOPRRWUWTEAQ-NSHDSACASA-N 316.804 2.121 10 10 DECE CC(C)CC[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)N1CCNCC1 575275375 RUYFLEBUNSWEHI-ZDUSSCGKSA-N 323.393 2.389 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 827133663 WAYFTNBQPNVZGO-SCQSPADBSA-N 313.445 2.366 10 10 DECE Cc1cc(Cl)cc(CNC[C@@H]2CCCCN2CCO)c1O 824583424 LIMDAIQKZWSBHI-HNNXBMFYSA-N 312.841 2.290 10 10 DECE CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CS4)cc2)CC1 839190778 BHKROCCJIWTQNJ-IRXDYDNUSA-N 303.475 2.128 10 10 DECE Cc1cc(C(=O)N[C@@H]2Cc3cncn3C2)c(C)n1-c1ccccn1 857888429 UDDBERAPSPCQKZ-CQSZACIVSA-N 321.384 2.040 10 10 DECE CCOc1ccc(O)c(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)c1 863653515 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CC[S@](=O)c1ccccc1C(=O)NCc1cc(O)ccc1O 1637122703 NEABTIYBLKPTEU-QFIPXVFZSA-N 319.382 2.155 10 10 DECE CCOc1cccc(CNCC(=O)Nc2ccc(F)cn2)c1O 1857856798 RCAMNKCQHLKIAB-UHFFFAOYSA-N 319.336 2.053 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1Nc1c(N)cccc1C(=O)O 1986711620 FHCVOMZBAHJIKY-VXGBXAGGSA-N 321.377 2.435 10 10 DECE O=C1Nc2cc(N3CC(CC(F)F)C3)c(Cl)cc2[C@@H]1O 2152303042 OXWHESHLVAGEEL-LBPRGKRZSA-N 302.708 2.417 10 10 DECE NCc1ccc(N2C[C@@H](CO)C3(CC3)C2)c(Br)c1 2027534409 CSGGNSSUOCGNGG-NSHDSACASA-N 311.223 2.117 10 10 DECE NC(=O)C1(NCc2c(O)cccc2Br)CCCC1 2036953961 MOLGOXWVBNNDTF-UHFFFAOYSA-N 313.195 2.042 10 10 DECE Oc1cccc(Br)c1CNC[C@H]1CCN1C1CC1 706883581 PJSPVTUJWJUACC-LLVKDONJSA-N 311.223 2.481 10 10 DECE CO[C@@H]1COCC[C@H]1NCc1cc(Br)ccc1O 386860255 UOBQZOUFZKBYJW-DGCLKSJQSA-N 316.195 2.048 10 10 DECE CC(C)N(CCS(C)(=O)=O)c1cc(Cl)c(CN)cc1F 2177381626 PEYLGDLGANBHJC-UHFFFAOYSA-N 322.833 2.197 10 10 DECE NC(=O)[C@@H]1CCCC[C@@H]1Nc1c(N)cccc1Br 2053776433 DJZGTVMUGZIYEI-KCJUWKMLSA-N 312.211 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COc1ccc(OC)c(CC(=O)NCc2c(O)cccc2F)c1 1471975421 ZLKOBQZVBGTTCP-UHFFFAOYSA-N 319.332 2.407 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCSCC(F)(F)F 1566420178 LTGXIODUIGWZQF-UHFFFAOYSA-N 309.309 2.052 10 10 DECE CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1596006456 GICLQRCLYROXCT-JQWIXIFHSA-N 306.366 2.376 10 10 DECE Cc1ccc(Cl)c2c1NC(=O)/C2=C1/SC(=S)NC1=O 19758461 CFRPOJDSNPNIGN-VQHVLOKHSA-N 310.787 2.460 10 10 DECE c1cc2c(cc1N1CC[C@@H](CNC[C@H]3CCCO3)C1)OCO2 250035647 UGGMUPNLSPCGJL-DZGCQCFKSA-N 304.390 2.010 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985104668 LDCGVVHNFVGVKX-DDHJBXDOSA-N 321.381 2.057 10 10 DECE CCn1ncc(NCc2ccc(N)cc2)c(Br)c1=O 160043354 JGBTXJKYMBOMKL-UHFFFAOYSA-N 323.194 2.220 10 10 DECE CCNCc1cc(F)c(N2CC[S@@](=O)[C@@H](C)C2)c(F)c1 2171972171 MELZKOSDSITAAU-WVDJIFEKSA-N 302.390 2.032 10 10 DECE C[C@@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Cl)c1 716103215 UDHOIELAULEPRB-OIKLOGQESA-N 316.854 2.372 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CCc2nccn2C1 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2.194 10 10 DECE C[C@@H](CO)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 897238706 GQZPUUYKIVQSMJ-SECBINFHSA-N 309.387 2.451 10 10 DECE Oc1cc(Br)ccc1CN1CCn2ccnc2C1 691780480 OYYJNDULOYXPLK-UHFFFAOYSA-N 308.179 2.367 10 10 DECE CN(Cc1cccc(Cl)c1O)C[C@@H]1CCCCS1(=O)=O 694405833 FSYXZBLUNNHZTR-LBPRGKRZSA-N 317.838 2.445 10 10 DECE CC1(C)CN(c2ccc(CO)cc2Br)C[C@@H]1CO 1914463816 RXUVJVMPOVKBDN-LLVKDONJSA-N 314.223 2.396 10 10 DECE CCn1ncc(Br)c1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912151349 GHODKLLAIXVBFE-SSDOTTSWSA-N 313.159 2.190 10 10 DECE C/C=C\[C@H](O)C(=O)N(Cc1ccco1)Cc1ccccc1O 1445637732 GEZBTGAYONNVIC-SKKUGFDVSA-N 301.342 2.451 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(F)ccc1[N+](=O)[O-] 1456237203 UKDMJONBTOHPOB-UHFFFAOYSA-N 306.249 2.075 10 10 DECE CC(C)(C)OC(=O)NC[C@](O)(C1CC1)[C@@H](N)c1ccccc1O 1920302752 IKXBQEWUPQMRFC-YOEHRIQHSA-N 322.405 2.058 10 10 DECE COc1cccc(CN[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1O 227562882 NBEUUXCWWBQXKN-VXGBXAGGSA-N 308.378 2.156 10 10 DECE COc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H](C)OC)C2)cc1C 1479353604 NJSAEBWFJMEMKA-FVQBIDKESA-N 320.433 2.023 10 10 DECE CC1CCN(CCCCNC(=O)Cc2ccc(O)c(O)c2)CC1 1624754392 YUFAHBWFEFRMBX-UHFFFAOYSA-N 320.433 2.269 10 10 DECE CC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1F 1643813144 XPHJPCAEXRUVTR-UHFFFAOYSA-N 318.304 2.125 10 10 DECE Cc1ccc(F)cc1C(=O)C(=O)NCc1cccc(O)c1O 1644710593 FLUDDLXVGOXCDR-UHFFFAOYSA-N 303.289 2.044 10 10 DECE C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CC1(Cl)Cl 1640921223 AOYYZPIFLMWVDL-GFCCVEGCSA-N 304.173 2.340 10 10 DECE COCCN(CCOC)c1ccc(CN)cc1C(F)(F)F 163686807 WGSNPFDDUJMRQI-UHFFFAOYSA-N 306.328 2.263 10 10 DECE CN(C)CCOc1cccnc1NC(=O)Oc1ccc(N)cc1 1858693196 ZZVGLHDWOYYUOZ-UHFFFAOYSA-N 316.361 2.215 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Cl)c1 2145052101 YOXNUWYENSIAMC-DRCTWCGVSA-N 315.822 2.017 10 10 DECE C[C@@H]1CCN(c2ccc(CN)cc2Br)C[C@H]1CO 700440149 XJBQETCZJUIZDD-PWSUYJOCSA-N 313.239 2.363 10 10 DECE Cn1[nH]c(=N[C@@H]2CCc3cccc(O)c32)cc1Br 2038254423 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CCCN(Cc1ccc(N)cc1)S(=O)(=O)N1CCCCC1 35364756 QCNXENHFXUJREW-UHFFFAOYSA-N 311.451 2.212 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1c(C)noc1C 35361254 LDZVIXYGVUTNIN-UHFFFAOYSA-N 309.391 2.084 10 10 DECE C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CCN1C 181118422 DBPFASWTNHEQDG-RCOIXESOSA-N 304.390 2.052 10 10 DECE C[C@@H](NCC[S@](C)=O)c1cc(Br)ccc1O 134921599 YGAMVWPICFQGPO-VPTHRUTESA-N 306.225 2.184 10 10 DECE CCN(C)CCNC(=O)NCc1ccc(N(CC)CC)cc1 194838095 IXOSVZXOXOIKSZ-UHFFFAOYSA-N 306.454 2.284 10 10 DECE COc1ccc(-c2nnc(N3C(=O)CSC3=S)o2)cc1 196105354 VDPRUMGPKAJQFY-UHFFFAOYSA-N 307.356 2.110 10 10 DECE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(NCCCN=[N+]=[N-])C(=O)O 381063181 LUQVMQOAZMYEGP-BBRMVZONSA-N 317.393 2.394 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1O 192050113 UOJNWZYBFCHFQD-LLVKDONJSA-N 317.838 2.363 10 10 DECE Cc1cccc(N2CCN(C(=O)c3ccc(O)c(O)c3)CC2)c1 244173673 VEZJUJZPCACILQ-UHFFFAOYSA-N 312.369 2.369 10 10 DECE CN(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1 277051792 LVWDYITVVVEIJS-UHFFFAOYSA-N 320.414 2.279 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCCN2CCCC[C@H]2C)c1O 278634166 HDQJRMXKCJBXOQ-GFCCVEGCSA-N 323.393 2.273 10 10 DECE NC(=O)c1cc(Br)cc(CN2CCCCC2)c1O 642880305 OLIGYBGQZXVFHK-UHFFFAOYSA-N 313.195 2.240 10 10 DECE CCCOc1cc(N2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] 396523788 IMOVURZQLYDZEW-UHFFFAOYSA-N 308.334 2.337 10 10 DECE C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C(N)=O)C1 835047075 XLKWZVNVMLOEML-AYUWKEHRSA-N 301.434 2.352 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1COc1ccc(N)cc1 1952909445 IVEDYDXOLMBPPD-HUUCEWRRSA-N 321.421 2.245 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC3(C2)CC3(F)F)cc1F 847304055 YXFYFFCTXDICQM-UHFFFAOYSA-N 313.323 2.442 10 10 DECE CN(C)c1cc(F)c(CNC2CCC(C(N)=O)CC2)cc1F 858136983 BUBWBVPMIYDMEQ-UHFFFAOYSA-N 311.376 2.165 10 10 DECE O=C(NCCCSc1nccs1)C1(NC2CC2)CCC1 852840018 IBMHOBYHUOFXHK-UHFFFAOYSA-N 311.476 2.416 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 858912949 PSCACCZIRCKSGX-ZBFHGGJFSA-N 303.406 2.119 10 10 DECE C[C@H]1CN(C)C[C@H]1NCc1ccc(N2CCSCC2)cc1 756096630 BHLQAIYTEATAIN-WMLDXEAASA-N 305.491 2.280 10 10 DECE COc1ccc(N2CCN(C(=O)NC[C@@H]3C[C@H]3C)CC2)cc1F 753841544 VCHXVXXKQAFFHM-OLZOCXBDSA-N 321.396 2.322 10 10 DECE Cc1nnc(NNC(=S)Nc2ccc(OC(C)C)cc2)n1C 863205938 MOWIXLAVQZEIKR-UHFFFAOYSA-N 320.422 2.224 10 10 DECE CCc1ncc(S(=O)(=O)N2Cc3cccc(O)c3C2)s1 867691508 YPJMOKRLLHAJQT-UHFFFAOYSA-N 310.400 2.116 10 10 DECE OC1CCN(c2ccc(CNCC[C@H]3CCCO3)cc2)CC1 876923682 HORZWQADDSWWNH-GOSISDBHSA-N 304.434 2.306 10 10 DECE COc1ccc(N2CCN(C(=O)/C=C\C3CC3)CC2)c(OC)c1 870165370 WNYUNUVZIDVMIP-YVMONPNESA-N 316.401 2.319 10 10 DECE COCc1ccsc1C(=O)OCC(=O)c1ccc(O)c(O)c1 784588954 PJTXJVNUQCAMKG-UHFFFAOYSA-N 322.338 2.345 10 10 DECE CCOc1ccccc1N(C)C(=O)c1ccnc2c1CC(=O)N2 1137574998 XHOXYXCTEICZFL-UHFFFAOYSA-N 311.341 2.252 10 10 DECE COc1cncc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1301523439 DJWHYBBKWDQCBG-UHFFFAOYSA-N 313.317 2.183 10 10 DECE Cc1ccc([C@@H](C)NCc2nc(O)c3c(n2)CCOC3)c(O)c1 1329307403 PUDHVPVCLHOGQF-LLVKDONJSA-N 315.373 2.120 10 10 DECE CN1C(=O)C[C@@H](C(=O)N2Cc3cccc(O)c3C2)c2ccccc21 1332201850 LDLIKVLVSGEDPD-CQSZACIVSA-N 322.364 2.385 10 10 DECE CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Br)nc1 1435333762 KQDHFLWOJLXEEM-UTCJRWHESA-N 321.178 2.254 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc([N+](=O)[O-])ccc1F 1558535372 ITBUXAYULRCAOU-UHFFFAOYSA-N 306.249 2.075 10 10 DECE CC(C)(C)OC(=O)NC1(CNCc2cccc(O)c2O)CC1 1927779559 SXYISWYAEAGIJN-UHFFFAOYSA-N 308.378 2.245 10 10 DECE CNc1cc(C(=O)NCc2ccc(O)cc2O)cc(Cl)n1 1639444592 QZPBHEJODGYQHA-UHFFFAOYSA-N 307.737 2.118 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(=O)c2ccccc2o1 1638351860 GCWIYUJQFVMOPU-UHFFFAOYSA-N 311.293 2.134 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1COCc2ccccc21 1643073389 WLMLHEOYXCGNOI-LYASGUKUSA-N 311.337 2.499 10 10 DECE Cc1cc(C(=O)N(C)c2nn[nH]n2)c(C)n1-c1ccc(F)cc1 1642427583 QEQRAVRWIVQVLI-UHFFFAOYSA-N 314.324 2.023 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cccc2cc(O)ncc12 1595752557 SGHYWNJVBWRWAT-UHFFFAOYSA-N 324.336 2.324 10 10 DECE CC(=O)N[C@H](c1ccc(N(C)C)cc1)n1nnc2ccccc21 5631875 SWMZZOFNEDKZEZ-KRWDZBQOSA-N 309.373 2.180 10 10 DECE COc1cc(C(=O)Nc2ccc(N)cc2)c([N+](=O)[O-])cc1OC 237278413 PTDPUNZUNINOTH-UHFFFAOYSA-N 317.301 2.447 10 10 DECE COc1ccc(N2CC[C@@H](CNC[C@H]3CCCO3)C2)cc1OC 250439188 HNDMECALGHJTRT-GOEBONIOSA-N 320.433 2.299 10 10 DECE COc1ccc(OC)c(NC(=O)COc2ccc(N)cc2)c1 31895920 QHZGIWSBDRZMPU-UHFFFAOYSA-N 302.330 2.304 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1O 897675785 CAGVVBWZNXSKGU-HQJQHLMTSA-N 304.159 2.106 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCN=[N+]=[N-])C[C@@H]2C1 1965101382 CDXPIVCQOXSGDR-ABAIWWIYSA-N 323.397 2.450 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)c(Br)c1 2033981570 FCNPTYDWFNBLQE-AEHQLWAISA-N 312.207 2.319 10 10 DECE CNCc1ccc(N2C[C@@H](CO)C[C@@H]2C)cc1Br 2038885545 NSHYBSNTYDAIRA-QWRGUYRKSA-N 313.239 2.376 10 10 DECE CO[C@@H]1COCC[C@H]1NCc1cccc(Br)c1O 311095885 SDMNPKBXPLOILZ-VXGBXAGGSA-N 316.195 2.048 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CNC)cc2Cl)C1 2179900403 VTLPMCBUBCJOQA-GFCCVEGCSA-N 316.854 2.073 10 10 DECE CCOC(=O)c1c(C(F)(F)F)nn2c(O)cc(CC)nc12 2080851020 KKIVMHJKAYOOJD-UHFFFAOYSA-N 303.240 2.193 10 10 DECE CN[C@H](C)c1cc(F)c(N2CCS[C@@H](CO)C2)c(F)c1 2194696963 JESYMJUYXFBXHX-MWLCHTKSSA-N 302.390 2.159 10 10 DECE Cn1ncc2c1CN(c1ccc(CN)cc1Br)C2 2049481610 UEVJOORPEJPZQW-UHFFFAOYSA-N 307.195 2.162 10 10 DECE C[C@@H](N)c1cc(F)c(N2CCS[C@@H](CCO)C2)c(F)c1 2194707047 CJGPCIZSGRGUFE-KOLCDFICSA-N 302.390 2.289 10 10 DECE Cc1cccc(CNS(=O)(=O)c2ccnc(Cl)c2)c1O 2204605741 OOGMWKQTOBYDCY-UHFFFAOYSA-N 312.778 2.228 10 10 DECE C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1O 2206000476 NYQWRAKZSLFXIG-BHYNMZESSA-N 301.383 2.148 10 10 DECE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cc(Cl)ccc1O 2279352241 KYQCMVQDPDRIBV-ZWNOBZJWSA-N 317.838 2.443 10 10 DECE CC[C@H](N)Cc1cnc(SC[C@@]2(OC)CCOC2)s1 2270010802 ZZAUETAKHFJJQM-GXFFZTMASA-N 302.465 2.321 10 10 DECE NC(=O)c1ccc(N=NN2CCN(c3ccccn3)CC2)cc1 2330153128 FCDAAOXRFZESPW-UHFFFAOYSA-N 310.361 2.001 10 10 DECE Cc1ccc(CN2C[C@H](O)C3(CC3)C2)c(O)c1Br 2327796059 AVXVPENUZHKBAT-NSHDSACASA-N 312.207 2.420 10 10 DECE CCN(CC)[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 57647422 GIWFOKSXOJJVSF-ZDUSSCGKSA-N 324.444 2.421 10 10 DECE COC[C@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 103434347 NKJPGMDTGJMRMI-ZDUSSCGKSA-N 306.406 2.063 10 10 DECE Cc1cc(O)c(O)cc1CCNC(=O)NCc1ccccc1 170287349 PBHXKETUWKGHFT-UHFFFAOYSA-N 300.358 2.448 10 10 DECE Cc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1-c1ccccc1 48717879 AIFHJBHBLJXTPP-UHFFFAOYSA-N 318.398 2.270 10 10 DECE COc1cccc([C@@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1O 1952762822 NGFBUBZHZALOSD-HWPZZCPQSA-N 323.345 2.225 10 10 DECE CC[C@@H](N[C@@H]1CNC(=O)C1)c1cc(Br)ccc1O 228941458 UPWJTFPOXMTNRD-GXSJLCMTSA-N 313.195 2.084 10 10 DECE COc1ccc(CN(C)CC(C)(C)CN2CCOCC2)c(O)c1 93769742 DDKMRCBNXISTIR-UHFFFAOYSA-N 322.449 2.191 10 10 DECE CNCCc1ccccc1C(=O)N1C[C@@H](CN)Cc2ccccc21 632868002 CYRNTEQKDRHZJC-OAHLLOKOSA-N 323.440 2.226 10 10 DECE COc1cc(N(C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OC 389485792 QXYTYMYNAQCOOI-UHFFFAOYSA-N 310.350 2.353 10 10 DECE CN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCN2CCO[C@H]1C2 295109139 LJJDPCOVRGXBSS-ZFWWWQNUSA-N 314.788 2.090 10 10 DECE COC[C@@H](CC1CCOCC1)NCc1cccc(OC)c1O 825916680 SSYPRCXXLFRQPW-OAHLLOKOSA-N 309.406 2.322 10 10 DECE COC[C@@](C)(O)CCNCc1ccc(Br)cc1O 826030196 RYVFPPFQVZIWOA-ZDUSSCGKSA-N 318.211 2.032 10 10 DECE O=C(NCc1ccccc1O)NC[C@@H]1COc2ccccc2O1 748324434 DFPCUCCPLLNOSA-CYBMUJFWSA-N 314.341 2.031 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H](CN)C(F)(F)F 848594883 HCHRBUCQJSXMIV-LBPRGKRZSA-N 319.327 2.203 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N)[C@@H]2C)cc1 841718590 VLISUBPHQOLZAC-BBRMVZONSA-N 304.438 2.164 10 10 DECE C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nccn1C 852687771 BRLGPNCCBMPYRU-NSHDSACASA-N 319.384 2.186 10 10 DECE O=C(NCCCCF)NCc1ccc(N2CCC(O)CC2)cc1 852351920 XJCZRXNFLZAJHH-UHFFFAOYSA-N 323.412 2.197 10 10 DECE Cn1nccc1[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 928371087 NXESAAJVNPPCIC-VSKVDJIOSA-N 313.357 2.208 10 10 DECE CCN(CC)c1ccc(CNCc2nc(COC)n[nH]2)cc1F 850361052 SBHPNDAHBDDTBM-UHFFFAOYSA-N 321.400 2.226 10 10 DECE CCN(C[C@@H]1CCC2(CNC2)O1)c1ccc(OC)c(OC)c1 852744540 DIDFHOXEUKOAAT-AWEZNQCLSA-N 306.406 2.051 10 10 DECE O=C(NCc1c(O)cccc1F)Nc1cnc2c(c1)COCC2 930753185 LAOXSOKZHZNWQU-UHFFFAOYSA-N 317.320 2.321 10 10 DECE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)Cc1ccc(N)cc1 868052663 ROGATGOALKWILJ-RHSMWYFYSA-N 322.412 2.452 10 10 DECE O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1O 1176958198 KRHVXBLXTVRYKQ-LBPRGKRZSA-N 321.760 2.085 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cc(-c2ccncc2)nn1C 1445643462 DTENWVGOTSLCMI-UHFFFAOYSA-N 322.368 2.460 10 10 DECE COc1ccc([C@H]2CNCCN2C(=O)OC(C)(C)C)c(O)c1 1535931740 VHQKWFRPNVEGLN-CYBMUJFWSA-N 308.378 2.282 10 10 DECE O=Cc1cncc(C(=O)NCCCSc2nccs2)c1 1542957877 KMZDTBKFLUMOSI-UHFFFAOYSA-N 307.400 2.263 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccn(-c2ccccc2)n1 1633736382 JXERHPVBIUYSPV-UHFFFAOYSA-N 309.325 2.465 10 10 DECE O=C1CCc2cccc(C(=O)NCc3cc(O)ccc3O)c2C1 1637125962 JHILGJSYUYCADW-UHFFFAOYSA-N 311.337 2.086 10 10 DECE C[C@](O)(C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 1638351907 HVQKBPFYNWIQEH-MRXNPFEDSA-N 321.760 2.275 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2ccns2)cc1C 1731935363 YGHYZSWSAIUKSP-UHFFFAOYSA-N 319.430 2.322 10 10 DECE CNC(=O)c1cccc(N(C)C(=O)/C=C/c2cncc(C)c2)c1 1584789141 DPMOIQVZLJQXDO-BQYQJAHWSA-N 309.369 2.426 10 10 DECE CNc1ncnc2cc(C(=O)NCc3ccccc3O)ccc12 1595793337 UMRMXWKSLLIYLM-UHFFFAOYSA-N 308.341 2.307 10 10 DECE CCCNC(=O)CN(C)c1ccc(CN)cc1C(F)(F)F 163695224 VXRYVUABQDRXHV-UHFFFAOYSA-N 303.328 2.127 10 10 DECE CCN1CCN(c2ccc(CNCCOC)cc2Cl)CC1 163930829 QSZCJCVIVDUEHW-UHFFFAOYSA-N 311.857 2.218 10 10 DECE C[C@H](O)c1ccc(N2CC(CCO)C2)cc1Br 1946931150 KUYHOOPICLBSLD-VIFPVBQESA-N 300.196 2.321 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145047063 DPWJWPJLGHUWKM-BHDSKKPTSA-N 315.822 2.017 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985093647 COAKYXDWHGCWGJ-IJLUTSLNSA-N 323.397 2.449 10 10 DECE NCc1ccc(N2CCO[C@H]3C[C@H]32)c(F)c1Br 2004431640 HIJZMPZIJRMRPD-ZJUUUORDSA-N 301.159 2.024 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CC[C@@H]1N 1998370657 ACADIEHXJDKUPA-WDEREUQCSA-N 303.175 2.215 10 10 DECE C[C@H]1OCCO[C@@H]1CNCc1cccc(Br)c1O 2027192682 LYXRLTVNQFJERJ-BXKDBHETSA-N 316.195 2.048 10 10 DECE C[C@H]1C[C@@H](O)CN(c2ccc(CN)c(Br)c2F)C1 401706415 QVFADDHTIXQVBS-WCBMZHEXSA-N 317.202 2.254 10 10 DECE [N-]=[N+]=NCCNC(=O)COc1ccc(Br)cc1F 706343331 JVMDGXXZEKRTSS-UHFFFAOYSA-N 317.118 2.394 10 10 DECE CCNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Cl)c1 708465209 RVKFPKAFCKAKEG-LLVKDONJSA-N 318.870 2.319 10 10 DECE CCNCc1cc(F)c(N(C)[C@@H](C)C[S@](C)=O)c(F)c1 398873357 CZNIBNULNWUWSU-FVINQWEUSA-N 304.406 2.278 10 10 DECE CN(C)Cc1ccnn1Cc1cc(Br)ccc1O 2069885450 RPGCPSQZZQKALS-UHFFFAOYSA-N 310.195 2.461 10 10 DECE Cc1cc(C(=O)NC2CC2)n(Cc2ccc(Cl)cc2O)n1 2070085778 RJGIWPGXFNJIBB-UHFFFAOYSA-N 305.765 2.491 10 10 DECE CCN1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Br 1140101914 DIBGMEOJCLGIRJ-QWRGUYRKSA-N 311.223 2.433 10 10 DECE NCc1ccc(N2C[C@H]3COC[C@@H](C3)C2)c(Br)c1 2068762317 XFAUMXKQKJCJMB-RYUDHWBXSA-N 311.223 2.381 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@@H](NCc2cccc(Cl)c2O)C1 2089153183 WWCZOUPVWVTMPL-GHMZBOCLSA-N 303.811 2.101 10 10 DECE CNCc1ccc(N2CCN(C)[C@@H]3CC[C@@H]32)cc1Br 2112067535 VHJMLXLUVMHTCX-CABCVRRESA-N 324.266 2.451 10 10 DECE CSc1ncc(CNC[C@@H]2C[C@H](N)CC(C)(C)O2)s1 2269316752 IHWRRYUFHDHEEX-UWVGGRQHSA-N 301.481 2.240 10 10 DECE CSc1ncc(CNC(=O)c2cnc(N)c(Cl)c2)s1 2269317732 ZTBWHYNGKWFIMF-UHFFFAOYSA-N 314.823 2.426 10 10 DECE COc1ccc(C2=NN(CCO)C(=O)C2=Cc2ccccc2)cc1 2297502136 ORIWFHPQCBUICE-UHFFFAOYSA-N 322.364 2.317 10 10 DECE Cc1ccc(CN2CC3CC2(CO)C3)c(O)c1Br 2327622331 XDHHHJPMPDNTKD-UHFFFAOYSA-N 312.207 2.420 10 10 DECE CCN(CC(=O)OC)Cc1ccc(C)c(Br)c1O 2327792780 NMNFEONJDMUHJV-UHFFFAOYSA-N 316.195 2.458 10 10 DECE Cc1cc(O)c(O)cc1CCNC(=O)c1ccc2c(c1)OCO2 170213364 QMYDHEXAMSNGHO-UHFFFAOYSA-N 315.325 2.107 10 10 DECE CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 172604538 BVMCVIADWYOVKR-INIZCTEOSA-N 305.422 2.103 10 10 DECE O=C(c1cccc(O)c1O)N1CCO[C@@H](c2cccs2)C1 185850653 PZMMDWXMYFOCKR-GFCCVEGCSA-N 305.355 2.373 10 10 DECE O=C(O)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 236428476 QKIMHGCKUVBGKF-SECBINFHSA-N 314.179 2.451 10 10 DECE C[C@H](c1ccc2ccccc2c1O)N1CCS(=O)(=O)CC1 132283242 CKXIXKDOZSJJOD-GFCCVEGCSA-N 305.399 2.337 10 10 DECE COCC[S@](=O)Cc1cc(CNC(C)(C)C)ccc1OC 84035972 RRPROGFHEZGDNB-OAQYLSRUSA-N 313.463 2.478 10 10 DECE C[C@H]1N(Cc2ccccc2)CC[C@]1(NCCCN=[N+]=[N-])C(=O)O 381063186 LUQVMQOAZMYEGP-CZUORRHYSA-N 317.393 2.394 10 10 DECE COc1cccc(O)c1[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C(=O)O 1952757131 MNJWTEFSCLUVCE-XXFAHNHDSA-N 323.345 2.225 10 10 DECE C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 248039182 SIFJMSTVDGWJOZ-UNEWFSDZSA-N 319.401 2.467 10 10 DECE O=C(NCc1ccccc1O)NC[C@@H]1CCN1C1CCCC1 528290031 WKANQAHYUFFUIH-HNNXBMFYSA-N 303.406 2.208 10 10 DECE CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H](O)C(F)F 296321494 GUFVRGNMYQCRFE-QWRKXWFKSA-N 317.332 2.234 10 10 DECE CC(=O)C(=O)COC(=O)c1cccc(-c2csc(C)n2)c1 808523037 BPWWMZHMXSYQLX-UHFFFAOYSA-N 303.339 2.433 10 10 DECE C[C@@H](NC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(N(C)C)cc1 812199863 IJUNBSOJPMDLJK-IRWJRLHMSA-N 317.433 2.368 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CC34CC4)CC2)cc1F 817544850 QMUCMPRJAAFJEU-CYBMUJFWSA-N 304.365 2.283 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCO[C@@](C)(C3CC3)C2)c1O 826877178 BWALUXKIJMFNLY-MRXNPFEDSA-N 322.361 2.310 10 10 DECE Cc1cc(CC(=O)N(C)Cc2nc[nH]n2)c(C)n1-c1ccccc1 828360751 FZCPIBZPRZJTML-UHFFFAOYSA-N 323.400 2.413 10 10 DECE CN(C)c1ccc(/C=C\CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 835054994 PBTBCTFMTXXJJQ-DHJFXDNESA-N 315.461 2.171 10 10 DECE C[C@@H]1C[C@H](S(=O)(=O)NCc2cc(Cl)ccc2O)CCO1 845996292 NYUZXPZUIFUXSX-BXKDBHETSA-N 319.810 2.033 10 10 DECE COCCN1CC[C@@H](N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 840892821 DQOVXZYYDQISSA-FUHWJXTLSA-N 319.493 2.302 10 10 DECE COC(=O)/C(C)=C/CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 922056369 ZESODMZICDMFPM-RSKUSDAESA-N 319.405 2.232 10 10 DECE 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CC[C@@H](CO)CNCc1cc(Br)cc(F)c1O 1948677270 HXISWZFEFWKLIP-MRVPVSSYSA-N 306.175 2.402 10 10 DECE O=C(N[C@]12C[C@@H]1CN(Cc1ccccc1)C2)c1ccc(O)c(O)c1 1950061195 OXMFXLHOJIRAKJ-BEFAXECRSA-N 324.380 2.102 10 10 DECE OC[C@H]1C[C@@](F)(CNCc2c(O)cccc2Br)C1 1974390208 GHOTVYIXOGIXSV-GMZHKTEUSA-N 318.186 2.355 10 10 DECE CCN(CCNC(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1 1977923032 OOLOWSIRGIKKFX-UHFFFAOYSA-N 321.421 2.185 10 10 DECE Oc1cccc(Br)c1CNC[C@@H]1OCC[C@H]1F 2009187290 CLQXMSXYJZKXRG-PWSUYJOCSA-N 304.159 2.371 10 10 DECE O=C(O)[C@@H]1[C@H]2C[C@@H]2CN1Cc1cc(Br)ccc1O 2035678254 QPBWARSVWYNDHR-VHRDEZTHSA-N 312.163 2.060 10 10 DECE OCc1ccc(N2CC[C@@H](N3CCC3)C2)cc1Br 702307100 FMESQTOZVRPIDL-CYBMUJFWSA-N 311.223 2.226 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@H]2CNC[C@H]2C1 706871512 BPEUNFRXRBKCHV-MNOVXSKESA-N 311.223 2.196 10 10 DECE C[C@@H](CCNCc1ccc(Br)cc1O)[S@](C)=O 691440285 POEPBEQDZULWSS-XYZCENFISA-N 320.252 2.401 10 10 DECE CNCc1ccc(N(C)CC[S@](C)=O)c(C(F)(F)F)c1 399061077 FIEWXXQDQGMIKG-FQEVSTJZSA-N 308.369 2.240 10 10 DECE C[C@@H](O)c1ccc(N2[C@H]3C[C@@H]2CN(C)C3)c(Br)c1 2067426471 DZFLHJDGWAXIFD-JLLWLGSASA-N 311.223 2.395 10 10 DECE CSc1ncc(CNCc2ncc(C(=O)O)s2)s1 2257110231 ZSHVTXLMWJVBOV-UHFFFAOYSA-N 301.418 2.310 10 10 DECE CSc1ncc(CNC(=O)[C@]23C[C@H]4CC[C@@H](N4)[C@@H]2C3)s1 2284499750 MXXPWOGOJPMUQC-KMUQISDUSA-N 309.460 2.012 10 10 DECE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccncc2)SC1=S 2314739832 AEDWZXLODRVQFE-SECBINFHSA-N 322.411 2.234 10 10 DECE CCN1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 57646506 QRCRTXNZNDARNA-AWEZNQCLSA-N 322.428 2.175 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[C@H]1O 305744891 MWJQDSFKYXKTTK-SJLPKXTDSA-N 304.434 2.116 10 10 DECE C[C@H](NCC1(CO)CCC1)c1ccc(N2CCC(O)CC2)cc1 184530225 OGEWIFMCHXIJFB-HNNXBMFYSA-N 318.461 2.461 10 10 DECE Cc1cc(F)cc(S(=O)(=O)NCCc2ccc(N)cc2)c1 193337075 WGFSTTIPWFODFY-UHFFFAOYSA-N 308.378 2.237 10 10 DECE COCCOCCNC(=O)c1cc(C)n(-c2ccccc2)c1C 42780861 VZILGMMSQMEMOF-UHFFFAOYSA-N 316.401 2.487 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H](N3CCOCC3)C2)cc1Cl 227328985 OXCMUBPXNQCWOL-GXTWGEPZSA-N 309.841 2.271 10 10 DECE C[C@@H]1COCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 194530077 LZNVEQMARNYWBE-OCCSQVGLSA-N 304.390 2.151 10 10 DECE Cc1cc(O)c([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1[N+](=O)[O-] 83236953 ICJKAXATWZGZGP-QWRGUYRKSA-N 312.347 2.176 10 10 DECE CN(c1ccccc1O)S(=O)(=O)c1cccc2nsnc12 192733135 ACNCRFAUSCIDQV-UHFFFAOYSA-N 321.383 2.222 10 10 DECE CCOc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 377400772 GYQZLTHDNFMGFX-QAPCUYQASA-N 315.369 2.375 10 10 DECE COC[C@@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1 293111488 PPXCBSZATLOQAN-INIZCTEOSA-N 303.406 2.217 10 10 DECE C[C@@H](NC(=O)N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1 822790238 GGFVIYPNFGYOPV-CZUORRHYSA-N 315.417 2.436 10 10 DECE Oc1c(Cl)cccc1CN1CCC(N2CC[C@@H](O)C2)CC1 827698895 CKYJELCPDGLRPM-CQSZACIVSA-N 310.825 2.077 10 10 DECE CCC(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586737208 PXIDJIDBTLEGAZ-UHFFFAOYSA-N 316.313 2.404 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@H](N3CCCC3=O)C2)cc1 835050640 RAJFJXXLYZWDMT-AJNOYIKESA-N 313.445 2.463 10 10 DECE COC[C@@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 835048636 WVWGSJJXOGAHLZ-HPFMTEOYSA-N 320.433 2.324 10 10 DECE CS(=O)(=O)N1CC[C@H](CSc2ncc(Cl)s2)C1 849999980 FMHRTNSKKLULQF-ZETCQYMHSA-N 312.869 2.170 10 10 DECE COCCN1CCC[C@H]1CNCc1ccc(N(C)C)cc1C 840931215 DBOGCWBLHMOZQU-SFHVURJKSA-N 305.466 2.261 10 10 DECE C[C@@H]1O[C@H](C)[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1C 858282004 CFHURQWNPWAPLK-BASYENTBSA-N 304.434 2.425 10 10 DECE COc1cccc(O)c1CN1CC(=O)N(C)c2ccccc2C1 857881543 WHJDTXRAZBYHBN-UHFFFAOYSA-N 312.369 2.379 10 10 DECE CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)C1 866597881 ZTHHYJNQHKMSGD-QWHCGFSZSA-N 305.374 2.330 10 10 DECE COC[C@]1(C)CN(Cc2c(O)ccc(Cl)c2F)CCO1 862552004 RFQNZIMEWOQDGY-AWEZNQCLSA-N 303.761 2.422 10 10 DECE C[C@H](C(=O)NCc1cc(Br)ccc1O)n1ccnc1 1117460475 WTWRRIMMYBBJAN-SECBINFHSA-N 324.178 2.229 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Br)cc(C)c1C 1118479231 JSFLGLKOMZONAV-UHFFFAOYSA-N 313.147 2.381 10 10 DECE C[C@H](CC(=O)N1Cc2cccc(O)c2C1)NC(=O)c1ccccc1 871197379 AKJNVGAPIYYCFY-CYBMUJFWSA-N 324.380 2.443 10 10 DECE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc(O)cs2)C1 776269616 LPGBBJSTMULLMS-ZJUUUORDSA-N 312.391 2.050 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)ccc(O)c1F 1138152340 FMGNUWRRWBMGTF-MRVPVSSYSA-N 323.295 2.443 10 10 DECE O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(F)cc(F)c2O)CN1 894095816 SNWYWWLEGZNEKK-HZMBPMFUSA-N 310.344 2.161 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(-c2cccnc2)on1 1178912655 VZSQMSXSFPFXEI-UHFFFAOYSA-N 311.297 2.078 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CC(Oc2ccccc2)C1 1457619906 YKKZSQZQQWZYPG-UHFFFAOYSA-N 303.289 2.140 10 10 DECE Oc1cccc(O)c1CN=c1cc[nH]c(-c2nccs2)n1 1458645815 STPLNCLGDCZLAH-UHFFFAOYSA-N 300.343 2.045 10 10 DECE CN(C)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2O)cc1F 1292278795 XBSQLCPCQTUDIP-CJNGLKHVSA-N 308.397 2.449 10 10 DECE Cc1cc(C(=O)NCc2cccc(O)c2O)ccc1[N+](=O)[O-] 1455317291 KAFJADONGPISKW-UHFFFAOYSA-N 302.286 2.244 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CCOC3=O)C2)c1O 1473900010 VWYBZVJTSUJETA-INIZCTEOSA-N 323.776 2.387 10 10 DECE CN[C@H](c1ccccc1O)[C@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 1920786538 WQMZNPARPUTAIL-BPLDGKMQSA-N 322.405 2.023 10 10 DECE c1ccc(-n2cc(CNCc3ccc4c(c3)CCO4)nn2)cc1 1620760559 IIVFZAYONQWQAS-UHFFFAOYSA-N 306.369 2.492 10 10 DECE c1cc(N2CCCC2)ccc1CNCCOC[C@H]1CCOC1 1560312506 KCVVDQUSNIRRBN-KRWDZBQOSA-N 304.434 2.430 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@@H]1C1CCC1 1630405122 ZOAFODZZSSESBI-CYBMUJFWSA-N 307.415 2.384 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1nccn1-c1ccccc1 1635192335 GDELAPIYXGAWGW-UHFFFAOYSA-N 323.352 2.142 10 10 DECE O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1cccc(O)c1O 1643809813 SXJSACIAJOSTLX-AWEZNQCLSA-N 313.309 2.016 10 10 DECE CC[C@H](Oc1ccccc1/C=C1\SC(N)=NC1=O)C(C)=O 16905121 TVDCTHKQHINVQD-LFTLCWSBSA-N 304.371 2.362 10 10 DECE CNC(=O)Cc1noc(-c2cc(C)n(-c3ccccc3)c2C)n1 162820348 LFHACCZHHPHAJI-UHFFFAOYSA-N 310.357 2.433 10 10 DECE C[C@@H](CNCc1cccc(Br)c1O)[S@@](C)=O 159806678 XOVYYAYQVBEHAM-PWJLMRLQSA-N 306.225 2.011 10 10 DECE CCCNCc1ccc(N2CCS(=O)(=O)CC2)cc1Cl 233110559 GUYXMTQPOPWPSX-UHFFFAOYSA-N 316.854 2.074 10 10 DECE O=c1c2c(O)c(O)ccc2cc2n1CCc1cc(O)c(O)cc1-2 110305251 UEVQJRPYESCKFG-UHFFFAOYSA-N 311.293 2.047 10 10 DECE biogenic Nc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)n2)cc1 1857878529 GBVKWJLQYOGSOK-UHFFFAOYSA-N 314.736 2.150 10 10 DECE C[C@H]1C[C@H](C)CN(C(=O)CNCc2ccc(N(C)C)cc2)C1 1857865355 ISEQJFNYUNJOHI-GJZGRUSLSA-N 303.450 2.347 10 10 DECE C[C@@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Cl 2148778910 SOILOVWFDOKLLG-GHMZBOCLSA-N 316.854 2.231 10 10 DECE O=S1(=O)CCC[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]21 2146315598 DRHSARNDHJVKOW-FZMZJTMJSA-N 315.822 2.055 10 10 DECE CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1F 2146469901 OKNHKVSFKNGAOD-QWHCGFSZSA-N 301.745 2.417 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 1985096930 YIYMEIJSZMRJLI-PWSUYJOCSA-N 323.397 2.449 10 10 DECE CON(CC(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C 1989689993 LYAMIYULLOFFEZ-NSHDSACASA-N 324.377 2.368 10 10 DECE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC1(F)F 2158371297 HABXGHQQOHDLSK-KSBSHMNSSA-N 302.708 2.417 10 10 DECE C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 282233542 FPUVMRRAENUHCJ-CPCISQLKSA-N 303.189 2.456 10 10 DECE CCN1C(=O)C(=Cc2cnn(-c3ccccc3)n2)SC1=S 2040463992 VPXVTVKHNHPIIX-UHFFFAOYSA-N 316.411 2.488 10 10 DECE C[C@@H](c1ccc(F)cc1O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 401070107 RHKUUGKITJDJKZ-AXFHLTTASA-N 301.383 2.100 10 10 DECE CC(C)(C)N(CCS(C)(=O)=O)c1ccc(CN)cc1Cl 2170171163 DNUXMQSCVAWXCP-UHFFFAOYSA-N 318.870 2.448 10 10 DECE Cc1nn(C)c(C(=O)Cc2ccc(N)cc2)c1Br 2072270595 RBPCNCLLRPEOGZ-UHFFFAOYSA-N 308.179 2.499 10 10 DECE CN1CCc2cc([C@H](O)c3ncc(Br)cn3)ccc21 2106790698 KVDOPCJKALJNDK-ZDUSSCGKSA-N 320.190 2.313 10 10 DECE CS(=O)(=O)[C@H]1CC[C@H](NCc2cccc(Cl)c2O)C1 2089153185 WWCZOUPVWVTMPL-QWRGUYRKSA-N 303.811 2.101 10 10 DECE CCN(c1ccc(CO)cc1Cl)[C@@H](C)CS(C)(=O)=O 2114022155 ZFGRQCIJGAJJDC-JTQLQIEISA-N 305.827 2.092 10 10 DECE CC[C@H](N)Cc1cnc(SCC2(S(C)(=O)=O)CC2)s1 2229553614 OAJBSIIFEJMBTP-VIFPVBQESA-N 320.505 2.092 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(Br)c1 2254114912 LIAPEUIGKSODFL-OLUVUFQESA-N 311.223 2.430 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NC1CCN(CC2CC2)CC1 2307996737 PLHXDGTXXWVTSQ-UHFFFAOYSA-N 316.401 2.102 10 10 DECE CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(Cl)c1 400886864 GCBDHACPFSBRBP-PHIMTYICSA-N 316.854 2.071 10 10 DECE N[C@@H](CO)c1cc(Cl)c(Cl)c(Br)c1O 72199774 QIPXZSUYMAPRSQ-YFKPBYRVSA-N 300.967 2.454 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1ccc(O)c(O)c1 1952158608 ZXNQSTQYIWSSGK-RYUDHWBXSA-N 308.378 2.497 10 10 DECE C[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1cc(F)ccc1O 185486030 HURIJDASMDEVGA-ABAIWWIYSA-N 306.385 2.218 10 10 DECE COc1cccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O 190151924 KHZCVBFCGBPDFC-STQMWFEESA-N 319.361 2.054 10 10 DECE COc1ccc(N2CCOCC2)cc1NC(=O)c1cccnc1 41365130 BBTHLWGQURLGDD-UHFFFAOYSA-N 313.357 2.179 10 10 DECE CCCC(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 92708508 NPWMDEZYBDISFL-CQSZACIVSA-N 306.406 2.282 10 10 DECE CN(C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 91670135 DUBJIHNVBOPHFU-UHFFFAOYSA-N 303.450 2.049 10 10 DECE Cc1ccc(O)c(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 245696166 CGZMRRDRIZLKHS-GDBMZVCRSA-N 311.447 2.488 10 10 DECE CN(C)[C@H]1CCN(c2cc(Br)c(CN)cc2F)C1 385055308 DOJKNRMKJLZBKL-JTQLQIEISA-N 316.218 2.187 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCN(C)C3)C2)c1O 292142891 MQEDLVUSKHTFDL-QGZVFWFLSA-N 306.381 2.262 10 10 DECE COc1cccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)c1O 823033424 FUTVNBDJZCPCFH-NSHDSACASA-N 314.332 2.491 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@@]3(C)COC[C@@]3(C)C2)c1O 827017228 BVLFWDQFNAIZCT-IYBDPMFKSA-N 322.361 2.167 10 10 DECE CN(C)c1ccc(CNC(=O)[C@]23C[C@@H]2COC3(C)C)cc1F 824669324 ISPXTOZITLOUFE-PXAZEXFGSA-N 306.381 2.323 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@](O)(C(F)F)C1 826052450 DOIVDSRQVQDKJI-GFCCVEGCSA-N 322.149 2.357 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@]2(CCOC2)C1 837062600 AQOFWOLYFSACHM-RCFWFJCLSA-N 303.358 2.140 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cc3c([nH]2)CCOC3)c1 837484946 JMGJXVQUYBLUQH-JTQLQIEISA-N 316.357 2.293 10 10 DECE CC(C)(C)OC(=O)Nc1ccc([C@@H]2NCC[C@H]2C(=O)O)c(O)c1 1952989679 WQDLKRZUEMJYIB-YPMHNXCESA-N 322.361 2.474 10 10 DECE C[C@H](N)[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O 842008964 YJWCQCIHQLBASU-QWHCGFSZSA-N 317.389 2.433 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccn(C2CCOCC2)n1 928707671 AHZPVBYMAPBSAR-UHFFFAOYSA-N 319.336 2.009 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)C3=C(C)OCCC3)C2)cc1 855232974 DASWENOWRMLWNY-AWEZNQCLSA-N 316.401 2.475 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc(F)cc1 773743716 IIZSUTLNFCDTGD-JTQLQIEISA-N 317.316 2.167 10 10 DECE CN(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 788491816 FLSWIXQSRNWUMI-UHFFFAOYSA-N 310.350 2.398 10 10 DECE CC1CCN(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1 85205118 CHRVWRVLFWBARI-UHFFFAOYSA-N 304.799 2.434 10 10 DECE COc1ccc(O)c(CN2CCN(c3cnccc3C)CC2)c1 798962250 OEOCMUFCIDZAHI-UHFFFAOYSA-N 313.401 2.426 10 10 DECE OCC1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 1339979899 LDPOEQGUYDEZDL-GUDVDZBRSA-N 316.445 2.305 10 10 DECE CCOc1ncccc1CNC(=O)NCc1c(O)cccc1F 1332310754 HMLFAVCZKFIOKB-UHFFFAOYSA-N 319.336 2.324 10 10 DECE C[C@@H](NCc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1 1345411090 JJWZBJRPKNPVEO-CQSZACIVSA-N 322.474 2.342 10 10 DECE C[C@H](O)c1ccc(N(C)C2CC(O)C2)c(Br)c1 1914575060 OTOCXYPIUAIIIS-PUSIOWJLSA-N 300.196 2.462 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(F)CCOC1 1356268395 YRCAXCKEZBRKTP-QGZVFWFLSA-N 306.381 2.374 10 10 DECE [N-]=[N+]=NC1CN(CC(=O)Nc2cccc(Br)c2)C1 1912153985 KJMCRYDAYIGHNC-UHFFFAOYSA-N 310.155 2.382 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC4(CC4)C3)c(Br)cc21 1914934035 GZKMSKYIVKPGNA-LBPRGKRZSA-N 322.206 2.262 10 10 DECE CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 1354604124 OKYDWFVINQNMGD-LSDHHAIUSA-N 320.433 2.201 10 10 DECE NC(=O)NCCCCC(=O)NCc1c(O)ccc2ccccc12 1456307930 DOOQOFYFDVMBOB-UHFFFAOYSA-N 315.373 2.000 10 10 DECE CC(C)(O)c1cnc(NC(=O)c2c(F)ccc(O)c2O)s1 1611423298 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CSC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 924716011 HRUWMNOIVSKYQD-ZWNOBZJWSA-N 307.419 2.097 10 10 DECE COc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1O 753018693 OAEJIMKZCBECNP-UHFFFAOYSA-N 315.297 2.480 10 10 DECE COc1cc(N(C)CCCCCNC(C)=O)cc(OC)c1OC 929708288 SKBMBIWOMFVTMG-UHFFFAOYSA-N 324.421 2.455 10 10 DECE CC(C)(C)OC(=O)C1(C(=O)NCc2c(O)cccc2F)CC1 928705338 HEXAVOXAWNWDSK-UHFFFAOYSA-N 309.337 2.269 10 10 DECE Cc1cc(CC(=O)NN2CCOCC2)c(C)n1-c1ccccc1 856810141 URICSWALMLMNGQ-UHFFFAOYSA-N 313.401 2.000 10 10 DECE COc1ccc(CNC(=O)NCC[C@@H]2CCSC2)c(O)c1 868823496 AQOJHUIBMVQFHS-LLVKDONJSA-N 310.419 2.343 10 10 DECE COCc1cncc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 765022383 ZGUKUQNGIDCCKH-UHFFFAOYSA-N 317.364 2.363 10 10 DECE COC[C@H]1CCCN1NC(=O)c1cc2cc(O)c(O)cc2s1 899128705 SMTBCGRPODYEND-SNVBAGLBSA-N 322.386 2.068 10 10 DECE CCC1(N2CCC2)CCN(C(=O)c2cccc(O)c2O)CC1 899559161 MGIXASAKBXODKY-UHFFFAOYSA-N 304.390 2.188 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1ccn2nccc2n1 1146231633 FXIYMMOGCGXRCK-UHFFFAOYSA-N 302.721 2.018 10 10 DECE COCCOc1ccccc1C(=O)NCc1cc(O)ccc1O 1303223650 YUTVICPOCCBAPN-UHFFFAOYSA-N 317.341 2.053 10 10 DECE CCNCc1ccc(N2CC[S@](=O)C[C@H]2C)cc1Cl 2115316271 ISQVNBSXEOMJNK-WYRIXSBYSA-N 300.855 2.407 10 10 DECE Cc1ccc(C(=O)N2CC(F)(F)OC(F)(F)C2)c(O)c1O 1178276904 LVQXYLPNIKPJNX-UHFFFAOYSA-N 309.215 2.064 10 10 DECE CN(C(=O)/C=C\c1cnn(C)c1)c1cccnc1N1CCCC1 1457366099 KHYBEIJIRVVDRH-FPLPWBNLSA-N 311.389 2.092 10 10 DECE CCOC(=O)CNCc1cc(Cl)cc(Br)c1O 708088083 GWQWLLBNMHLLDQ-UHFFFAOYSA-N 322.586 2.461 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc(C(F)(F)F)ccn1 1558161163 HQBPUMMVMNHIID-UHFFFAOYSA-N 312.247 2.442 10 10 DECE O=C(NCCOc1ccccc1F)c1c(F)ccc(O)c1O 1648435419 QUKUHJZFPNOMMW-UHFFFAOYSA-N 309.268 2.185 10 10 DECE COC(=O)c1cc(OCC[C@@H]2COC(C)(C)O2)ccc1N(C)C 1641368733 STQNFZRNYGGGGF-CYBMUJFWSA-N 323.389 2.460 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCCN=[N+]=[N-])CCO1 1962287795 NEZICJJUNTVBAO-NEPJUHHUSA-N 313.402 2.301 10 10 DECE c1cc2c(cc1N1CC[C@H](CNC[C@H]3CCCO3)C1)OCO2 250035651 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DECE COc1cc(Cl)cc(CN[C@H](C)CC(=O)N(C)C)c1O 312929115 NTOBACZRNKIFKC-SECBINFHSA-N 300.786 2.011 10 10 DECE O=C1Nc2cc(N3C[C@@H]4[C@@H](C3)C4(F)F)c(Cl)cc2[C@H]1O 715540130 OGCVPMBCEMEEGE-OPVBNTEQSA-N 300.692 2.027 10 10 DECE CC[C@H]1CN(c2ccc(CNC)c(Br)c2)C[C@@H]1O 399980154 XDKITPIGIZISKG-HZMBPMFUSA-N 313.239 2.376 10 10 DECE C[S@](=O)CC1CN(c2ccc(CO)c(C(F)(F)F)c2)C1 2166655827 ZSGZGEMOJQLOBF-FQEVSTJZSA-N 307.337 2.012 10 10 DECE CCCS(=O)(=O)CCN(C)c1cc(Cl)c(CN)cc1F 2177381919 SNTDQJXPCLYULX-UHFFFAOYSA-N 322.833 2.199 10 10 DECE COc1ccc(N2CC[C@@H](CO)C2)c(OC)c1Br 2219390255 SGMPZDYKWCVUDL-SECBINFHSA-N 316.195 2.285 10 10 DECE CC[C@@H](CCNC(=O)NCc1cnc(SC)s1)C(=O)O 2284544824 SYDSOJULCUVMPO-QMMMGPOBSA-N 317.436 2.165 10 10 DECE CCN(C(=O)NCc1cnc(SC)s1)[C@@H](C)CC(=O)O 2284544681 RPQOKYDQURICPA-QMMMGPOBSA-N 317.436 2.260 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CS[C@@H](C)C2)s1 2322264712 BJRYBWYGCLTVQK-CPCISQLKSA-N 304.462 2.303 10 10 DECE O=C(NCCCSc1nccs1)NCC1(CCO)CC1 187555285 OYHAZKWOIGFLQG-UHFFFAOYSA-N 315.464 2.087 10 10 DECE C[C@@H](CC[S@@](=O)CC(=O)Nc1ccc(N)cc1)C(F)F 2363938362 UQKPXWUMEMFBSK-GWNMQOMSSA-N 304.362 2.247 10 10 DECE COc1cc(Cl)cc(CN[C@H](C)C(=O)NCC(C)C)c1O 229054134 BOVDLPBVUOPOOJ-SNVBAGLBSA-N 314.813 2.305 10 10 DECE COc1cc(N2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC 275969994 HHGLSXSRDYGXOG-BONVTDFDSA-N 310.350 2.473 10 10 DECE CN(C)c1ccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 824654768 QIQZHZVQTMXLPL-KBAYOESNSA-N 304.434 2.114 10 10 DECE CNC(=O)[C@]1(C)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835053131 STEXDGUQPKGGKF-DUMMIQTOSA-N 301.434 2.224 10 10 DECE COc1cccc(CNC(=O)C(=O)c2ccc(F)cc2)c1O 730110739 VALHAVUXBRUOJF-UHFFFAOYSA-N 303.289 2.039 10 10 DECE C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 835050270 YRLLQSRXPIKTRL-XVWMLYKFSA-N 322.474 2.132 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1895875714 MVROROSIRKCTPQ-GRYCIOLGSA-N 323.397 2.449 10 10 DECE CO[C@H]1COCC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O 846477548 RYGMZNCLKWPYHE-YGRLFVJLSA-N 313.781 2.103 10 10 DECE CCn1ccnc1CNC(=O)NCc1cc(Cl)ccc1O 845233080 PLALNHUPBUORMY-UHFFFAOYSA-N 308.769 2.261 10 10 DECE Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc(N)cc1 841295876 HXMUBOZOMFZYTB-UHFFFAOYSA-N 301.394 2.373 10 10 DECE O=C(NCc1ccc(N2CCOCC2)cc1)C1(C(F)F)CC1 843774090 HGQQYSWXSSFZNZ-UHFFFAOYSA-N 310.344 2.185 10 10 DECE COc1ccc(O)c([C@H](C)NC[C@H]2CNCCC2(F)F)c1 925784463 RUSCCOCIJPCFRI-WDEREUQCSA-N 300.349 2.296 10 10 DECE C[C@H]1COC[C@H](C)C1NCc1ccc(N2CCOCC2)cc1 924755848 XNPWVKGLQUIQCL-GJZGRUSLSA-N 304.434 2.284 10 10 DECE C[C@@H](Cc1ccco1)C(=O)OCC(=O)c1ccc(O)c(O)c1 850058572 CEIAGGYETDSLRO-JTQLQIEISA-N 304.298 2.296 10 10 DECE Cc1cc(Cl)cc([C@H](C)NC[C@@H](O)c2ccnn2C)c1O 927132731 WPYCSBHRKOWIPN-IINYFYTJSA-N 309.797 2.472 10 10 DECE Cc1cc(CC(=O)NC[C@@H]2CCN2C)c(C)n1-c1ccccc1 928550963 JVHCRHIYCLUXKS-SFHVURJKSA-N 311.429 2.457 10 10 DECE COc1cccc(O)c1CNCc1c(C(F)(F)F)cnn1C 858211844 RSMGBAFEHPOCLS-UHFFFAOYSA-N 315.295 2.443 10 10 DECE CN(C)[C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 857930137 FLKLAMGVZUHKBR-VGMNTSGFSA-N 324.428 2.343 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccnn1C 869180609 YGJGISCDYMAOGZ-ZDUSSCGKSA-N 315.421 2.355 10 10 DECE COC[C@@]1(C)CN(Cc2c(O)ccc(Cl)c2F)CCO1 862552005 RFQNZIMEWOQDGY-CQSZACIVSA-N 303.761 2.422 10 10 DECE CN(C)c1cc(F)c(CN2CC(F)(F)C[C@H]2CO)cc1F 862335593 KGKGAHBWDOYHRK-JTQLQIEISA-N 306.303 2.233 10 10 DECE CCC1(N2CCOCC2)CCN(Cc2ccccc2O)CC1 862534808 HRMIZMXVFIIEOO-UHFFFAOYSA-N 304.434 2.469 10 10 DECE CC1(C)[C@]2(C(=O)N3Cc4cccc(O)c4C3)CC[C@@]1(C)C(=O)O2 871207001 HUESKWBCKNHJEX-ZWKOTPCHSA-N 315.369 2.356 10 10 DECE CN(C)c1ccc(CNCCN2C[C@@H]3CCCCN3C2=O)cc1 895343485 SCFSUEMYUDKKGE-KRWDZBQOSA-N 316.449 2.132 10 10 DECE CN(CC1=NS(=O)(=O)c2ccccc21)Cc1ccccc1O 1167734267 LIESUBVSUBVONT-UHFFFAOYSA-N 316.382 2.016 10 10 DECE CCN(C)[C@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 1350299744 HZAQZLGBRVFCQA-INIZCTEOSA-N 314.385 2.407 10 10 DECE COCCC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1465853138 YQGMARAIHSUEIN-UHFFFAOYSA-N 304.350 2.396 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1cncc(F)c1 1537891110 BWFYSKZQRAZIMJ-BQYQJAHWSA-N 313.332 2.257 10 10 DECE C[C@H](NC(=O)c1ccn2nccc2n1)c1ccc(N(C)C)cc1 1467259150 DZDBKAHYDWGOME-LBPRGKRZSA-N 309.373 2.286 10 10 DECE CC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)c(C)nc1C 1471661534 ROXAYEOUDGAAPV-UHFFFAOYSA-N 314.341 2.242 10 10 DECE Cn1nc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(F)(F)F 1639394730 QAYCHWGFWGJTSS-UHFFFAOYSA-N 315.251 2.031 10 10 DECE O=C(COc1ccc(F)c(F)c1)NCc1c(O)cccc1O 1635847058 GTDVIXIGMBNHBZ-UHFFFAOYSA-N 309.268 2.071 10 10 DECE COc1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CCOC2)cc1C 1568611995 LRFXAPDIOGRPPE-ZBFHGGJFSA-N 320.433 2.025 10 10 DECE Cc1cc2nccc(NC(=O)/C=C\c3ccc(O)c(O)c3)n2n1 1585715725 AYUNCUCPAJBHEA-HYXAFXHYSA-N 310.313 2.101 10 10 DECE Cc1ccc(NCc2cccc(C)c2O)cc1S(N)(=O)=O 164935642 XQZCMYLGOIRBOX-UHFFFAOYSA-N 306.387 2.269 10 10 DECE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cncs1 2149093788 UHZQMQRODMJAOV-UHFFFAOYSA-N 311.432 2.326 10 10 DECE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1O 2152903546 AYOMZAKOGGZXJV-JSGCOSHPSA-N 317.838 2.491 10 10 DECE CC(C)(C)NCc1cnc(Sc2nc(N)cc(O)n2)s1 2155333377 XNOJLAIKEHUQMJ-UHFFFAOYSA-N 311.436 2.260 10 10 DECE C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155553191 RXNCTYPJHOXKGK-NWDGAFQWSA-N 301.416 2.270 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(Br)c1 2029636702 WNOXKDUJFCJHFN-OLUVUFQESA-N 312.207 2.321 10 10 DECE C[C@H](O)c1ccc(N2C[C@H](O)C3(CC3)C2)c(Br)c1 2032397607 MVJSABBHMFOHQL-ZANVPECISA-N 312.207 2.464 10 10 DECE C[C@@H](CNCc1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C 309880555 ZKNLSRQXOGDHTK-NSHDSACASA-N 310.394 2.443 10 10 DECE CN1CC[C@@H](CNCc2cc(Br)cc(F)c2O)C1 715816570 BRWVRTJPICPWIO-VIFPVBQESA-N 317.202 2.335 10 10 DECE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)NCc1ccccc1O 2164644778 SDHXLGOBTKCIBK-QWRGUYRKSA-N 305.346 2.103 10 10 DECE C[C@H](NC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 827960839 XSJFMDIEPOUYGI-UHTWSYAYSA-N 320.389 2.483 10 10 DECE 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COc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c(O)c1 246437962 NFFQYOOOXLWRMN-JLJPHGGASA-N 307.390 2.169 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@@H](O)[C@@H]1CCCO1 527760156 WOFOPPOWDUBEQC-NEPJUHHUSA-N 306.189 2.329 10 10 DECE CC(C)(C)OC(=O)NC1CC([C@H](N)Cc2ccc(O)c(O)c2)C1 1953005336 GRPJETDNAXQGTK-WXRRBKDZSA-N 322.405 2.271 10 10 DECE COC[C@@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 255639891 OMNIOFMEGOLYJM-LXSSAFMLSA-N 308.334 2.252 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)n1cccn1 611657542 MSHFVYUGOOUCEE-UHFFFAOYSA-N 314.389 2.110 10 10 DECE CCOC(=O)[C@H](N)c1c(O)cc(Cl)cc1Br 260853664 HZXUCIQTCBDFTF-SECBINFHSA-N 308.559 2.371 10 10 DECE Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@H]32)c(C)n1-c1ccccc1 834844345 NTQHHJHCIYQHNA-DZFIZOCASA-N 310.397 2.398 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2CCn3ccnc32)cc1F 836516868 PWLRZZNJIUBHIC-CYBMUJFWSA-N 317.368 2.032 10 10 DECE N[C@@H]1CCN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1CO 1899853529 UZEKVUJXJSOLEB-VQIMIIECSA-N 312.413 2.412 10 10 DECE 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324.226 2.197 10 10 DECE CN(C[C@@]1(F)CCOC1)c1ccc(CN)cc1Br 2222367635 XEHNLMKZOIUGLO-ZDUSSCGKSA-N 317.202 2.473 10 10 DECE CN[C@H]1CCC2(C[C@@H]1Oc1ccc(N(C)C)cc1)OCCO2 2229371245 XPVPNOMOTNRWCB-HOTGVXAUSA-N 306.406 2.015 10 10 DECE COc1ccc(N(CCO)CCNC(=O)OC(C)(C)C)c(C)c1 2243223353 JCFIONNHIMFIPM-UHFFFAOYSA-N 324.421 2.327 10 10 DECE CSc1ncc(CNC(=O)C[C@H]2C[C@@H](N)C23CCC3)s1 2284680064 HQXYPJAVXQVUHI-MWLCHTKSSA-N 311.476 2.389 10 10 DECE CCN1C(=O)C(=Cc2ccc(OC)cc2)C(C(=O)OC)=C1C 2294082224 UFCFCNCPGZGYMD-UHFFFAOYSA-N 301.342 2.388 10 10 DECE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)[nH]1 2294973168 JFXBJLMVWRNWBR-UHFFFAOYSA-N 309.325 2.298 10 10 DECE C[C@@H]1CSCCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 379570282 UXDOMUQMDBSCRB-ISVAXAHUSA-N 311.838 2.481 10 10 DECE CS[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2ccc(N)cc2)C1 2361005658 RMCKBTIFHGFGOM-XBXGTLAGSA-N 314.476 2.172 10 10 DECE Nc1ccc(OCCS(=O)(=O)c2cc(F)ccc2F)cc1 35676394 ARRMYZBBDKKMPZ-UHFFFAOYSA-N 313.325 2.400 10 10 DECE 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C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(O)c(O)c1 2063139392 DYUVLCPQFAYUSE-JTQLQIEISA-N 306.362 2.121 10 10 DECE CCN(CC)C(=O)CN(C)c1cc(Cl)c(CN)cc1F 2177377711 OHCIQNGDJYZYHY-UHFFFAOYSA-N 301.793 2.242 10 10 DECE CN[C@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2179927353 VXYSSHLEWXPBRG-PWSUYJOCSA-N 316.854 2.244 10 10 DECE NC/C(=C\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1 2086861385 JZFRHDHAWQKFLN-XYOKQWHBSA-N 319.382 2.287 10 10 DECE Cc1nc([C@@H](NN)c2ccc(N(C)C)cc2)c(Br)[nH]1 2087584443 HKYGVJFRPZHHSY-NSHDSACASA-N 324.226 2.099 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](F)C2)c(Br)c1 2219159505 XDQCFCPSMSZKPZ-GDPRMGEGSA-N 318.186 2.412 10 10 DECE CCN(Cc1c(Br)ccc(OC)c1O)C[C@H](C)N 2220457830 YRXHGXBWVKVQLY-VIFPVBQESA-N 317.227 2.332 10 10 DECE CC[C@@H](C)[C@H](NCc1cccc(Br)c1O)C(N)=O 2264157401 WLTONCLLKYYSHN-KCJUWKMLSA-N 315.211 2.144 10 10 DECE CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)C(=O)N(C)C1=O 2297578646 WAEKNAPGSIGQFW-UHFFFAOYSA-N 322.748 2.260 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=Cc1cncc(F)c1 2308464760 KCLORLPGNVNQQI-LLVKDONJSA-N 316.332 2.393 10 10 DECE Cc1ccc(CNC[C@H](C)[S@](C)=O)c(O)c1Br 2307569733 KKNKWEMGTPGZBU-XYZCENFISA-N 320.252 2.320 10 10 DECE C[C@@]1(N)CN(Cc2c(O)cccc2Br)CC1(F)F 2315167076 SNRISZPCRUZBCU-LLVKDONJSA-N 321.165 2.323 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CCN3CCC[C@@H]3C2)c1O 179546893 XXPXFEKNVNWYRB-GFCCVEGCSA-N 311.769 2.234 10 10 DECE CCc1nnc(CN(C)c2cc(OC)c(OC)c(OC)c2)o1 125786658 BOJVVRIVECQJKS-UHFFFAOYSA-N 307.350 2.294 10 10 DECE CCO[C@H]1C[C@](O)(CNCc2cc(OC)ccc2O)C1(C)C 188054232 GYPCWZYDAGZEBG-RDJZCZTQSA-N 309.406 2.057 10 10 DECE CN1CCN(CCC(C)(C)NCc2ccc(N(C)C)cc2)CC1 185894524 PHCQQERTEKYQSP-UHFFFAOYSA-N 318.509 2.258 10 10 DECE CCN1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 245435028 QFBKBIGJXCRYRD-WFASDCNBSA-N 307.394 2.463 10 10 DECE C[C@@H]1COCC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1O 278010603 VUIWQYZIYFZXDE-LDYMZIIASA-N 300.742 2.468 10 10 DECE Cc1cc(Cl)cc(CN[C@H]2CCCN(CCCO)C2)c1O 295196822 YCXNWBGQHGMKBH-HNNXBMFYSA-N 312.841 2.290 10 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848391931 GYTHHSZJTIPCJW-JTQLQIEISA-N 309.337 2.459 10 10 DECE C[C@@H]1C[C@@H](NC[C@H](O)c2ccnn2C)c2c(O)ccc(F)c21 927137263 VELPFTBTXTYOKN-UDZFHETQSA-N 305.353 2.136 10 10 DECE COc1ccc(N2CC[C@H](N[C@H](C)[C@@H]3CCCCN3)C2)cc1 854217683 OPLGFWJTGFLPQW-VKJFTORMSA-N 303.450 2.394 10 10 DECE O[C@H](CNCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 858226772 PPCKKMSSSBIKCH-MSOLQXFVSA-N 304.434 2.306 10 10 DECE COc1cc(CN2CCOC[C@@H]2C(F)(F)F)c(O)cc1C 768446152 KGAVWPCJDMBSCG-CYBMUJFWSA-N 305.296 2.472 10 10 DECE Cc1nc(O)ccc1S(=O)(=O)Nc1ccc(O)cc1Cl 693887754 JNWZDGIBDNMGBG-UHFFFAOYSA-N 314.750 2.255 10 10 DECE C[C@H](NC(=O)N[C@H](C)c1nnc2n1CCC2)c1ccccc1O 868227072 RBYUFDQHUMLDLO-WDEREUQCSA-N 315.377 2.051 10 10 DECE CCOC1CC2(C1)C[C@H]2C(=O)OCC(=O)c1ccc(O)c(O)c1 869933224 VMKAKCBGZUZLGY-JKGQDXBKSA-N 320.341 2.029 10 10 DECE CC(=O)NCc1ccc(C(=O)NCc2cc(C)ccc2O)s1 862758767 KLZCTFKZPUHVJS-UHFFFAOYSA-N 318.398 2.328 10 10 DECE CC(=O)NC1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 868192396 BXJDTRMHENLJNO-XGNXJENSSA-N 319.405 2.200 10 10 DECE CCOC(=O)C1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 868510097 KJBNDWGXQSIWCP-NSHDSACASA-N 306.362 2.096 10 10 DECE Oc1cc2c(cc1CNCCOCc1ccccc1)OCO2 390079434 AQUNWLNJLQYVCN-UHFFFAOYSA-N 301.342 2.427 10 10 DECE O=C(NCC1(CCO)CC1)c1cc2cc(O)c(O)cc2s1 897459040 HUSKTWWGZMHWBU-UHFFFAOYSA-N 307.371 2.205 10 10 DECE C[C@@H]1C[C@H](O)CCN1c1ccc(CO)cc1Br 705165402 JJCRXOBNPMWABF-MWLCHTKSSA-N 300.196 2.291 10 10 DECE O=C(O)[C@H](NCc1c(O)cccc1Br)C1CC1 706621298 AZZFYQZTPKEYPO-LLVKDONJSA-N 300.152 2.108 10 10 DECE C[C@@H](N)[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 715764798 BGZPUHLPOUBQOD-BDAKNGLRSA-N 317.202 2.463 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@H]2COC[C@@H]2C1 718153149 IUCFMBFITUDIIQ-UWVGGRQHSA-N 316.170 2.372 10 10 DECE Cc1nn(C)c2ncc(C(=O)N[C@@H](C)c3ccccc3O)cc12 1151892251 MHSHQWLRLLOUOQ-JTQLQIEISA-N 310.357 2.473 10 10 DECE COc1ccc(F)cc1CCNC(=O)c1c(F)ccc(O)c1O 1161798489 YDSPMSMGUOIGBL-UHFFFAOYSA-N 323.295 2.357 10 10 DECE CC(C)[C@H](C)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1329344619 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O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c(O)cccc2C1 1557850188 YFORMJLSAXPACB-FNORWQNLSA-N 311.337 2.402 10 10 DECE CCN(C(=O)c1cccc(O)c1O)[C@@H](CO)c1ccccc1 1558099742 WIZKKIVPLOVXNJ-AWEZNQCLSA-N 301.342 2.294 10 10 DECE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](CO)c1ccccc1 1637387252 CBBPWHIKWPONLZ-WWRUEGTHSA-N 313.353 2.303 10 10 DECE CN1Cc2ccccc2[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 1638553669 DRDHTWCYPCZMKC-ZDUSSCGKSA-N 316.332 2.153 10 10 DECE COc1cccc(CNC(=O)c2ncccc2SC)c1O 1636061026 BWMBUQZSBJQIEQ-UHFFFAOYSA-N 304.371 2.448 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC(OC)CC2)c([N+](=O)[O-])c1 1772821545 KKWRDSIJCUZXLK-XQRVVYSFSA-N 320.345 2.396 10 10 DECE COc1ccc(CNC[C@H](C)N(C)C(=O)COC(C)C)cc1C 1698814383 IJSCWYDDJQNALZ-HNNXBMFYSA-N 322.449 2.365 10 10 DECE COCCNCc1ccc(N2CCC(CO)CC2)c(Cl)c1 163936527 BFAXSIABKWHTBQ-UHFFFAOYSA-N 312.841 2.285 10 10 DECE COc1ccc(Br)c(CNC[C@H](C)OC)c1O 1964043682 WSGODKYOOIPNPF-QMMMGPOBSA-N 304.184 2.288 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1CN1CCNCC1 1951861390 RENKZEGAKNJWGZ-UHFFFAOYSA-N 307.394 2.144 10 10 DECE C[C@@H]1CN(Cc2ccc(Br)cc2O)CC[S@]1=O 1970337314 BLQMIFWKKUDPIJ-VVVCHXIZSA-N 318.236 2.108 10 10 DECE C[C@@H](CN(C)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977887446 DCNSBBYDBHWBRA-ZDUSSCGKSA-N 323.437 2.493 10 10 DECE CN(C(=O)Nc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1977893440 LNSHBECXCMGGAO-UHFFFAOYSA-N 320.393 2.352 10 10 DECE C[C@H](CNC(=O)c1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C 1982319278 UFDWBAGAHQXMSS-SNVBAGLBSA-N 324.377 2.083 10 10 DECE CC1(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)COC1 2033809597 SPHBUHXEBVCVMF-UHFFFAOYSA-N 321.332 2.437 10 10 DECE C[C@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Cl 2148778913 SOILOVWFDOKLLG-WDEREUQCSA-N 316.854 2.231 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1 1985094710 SOVNIMGPKLJHND-XHDPSFHLSA-N 323.397 2.450 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@]21C(=O)N1CC(N=[N+]=[N-])C1 1985100572 HSHQMOILNLXQSO-ISOBSLSZSA-N 321.381 2.201 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](O)[C@H](N)c1ccccc1O 1991937590 SYNYMAXGFKWJGK-NWANDNLSSA-N 322.405 2.152 10 10 DECE NCc1ccc(N2CCO[C@H](CF)C2)c(Br)c1 2004600028 IVDPVGHIOIUWBW-SNVBAGLBSA-N 303.175 2.083 10 10 DECE CN(C[C@H]1CC1(F)F)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2153621958 VFZTXJPMKJQRJD-KBUNVGBDSA-N 302.708 2.417 10 10 DECE C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)C[C@H]1C(F)(F)F 2158615012 BRNVALKEUNEFPU-GHMZBOCLSA-N 308.325 2.029 10 10 DECE COc1cc(Cl)cc(CN2CC[S@](=O)C(C)(C)C2)c1O 2170958491 ZMJHPLCZOXTJDQ-FQEVSTJZSA-N 317.838 2.397 10 10 DECE CNCc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Cl 380724523 JVMAMTFJLHXCDK-ZDUSSCGKSA-N 316.854 2.073 10 10 DECE O=C(C[C@H]1CCC2(CCOCC2)CO1)Nc1ccc(O)c(O)c1 2064368037 NVKFUDIDIDGGDA-CYBMUJFWSA-N 321.373 2.402 10 10 DECE COC(=O)c1cnn(Cc2ccc(Br)cc2O)c1 2069964936 KWNJUTZFZYURKT-UHFFFAOYSA-N 311.135 2.186 10 10 DECE CCc1nn([C@@H](CC)c2ccc(OC)cc2O)c(N)c1CO 2079979271 NEJMYZZDSRAPGR-AWEZNQCLSA-N 305.378 2.234 10 10 DECE CNCc1ccc(N2C[C@H]3C[C@@H](O)[C@H]2C3)c(Br)c1 2057028759 KUZOCKKPRNTAFP-LERXQTSPSA-N 311.223 2.128 10 10 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RACZZDHXSOOLPE-UHFFFAOYSA-N 311.794 2.464 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@H]2CCCC2(F)F)c1 806810344 KADGXXFARSNLCV-LBPRGKRZSA-N 300.305 2.388 10 10 DECE Cc1cc(CN2CCN(c3cccnn3)CC2)ccc1N(C)C 293059055 KYBFLYPNMUFLLN-UHFFFAOYSA-N 311.433 2.173 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1ccc(N(C)C)cc1)C2 818234186 IKUXVSOUOMSASG-XIRDDKMYSA-N 317.433 2.462 10 10 DECE COc1ccc(N(C)CCN(C)C[C@H](N)CC(F)F)cc1 903931358 BSLOUDJRIVCOGP-GFCCVEGCSA-N 301.381 2.046 10 10 DECE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc2cccnc2c1O 911261724 LFYCSMQMNSJUGQ-YNZJMPHRSA-N 300.358 2.228 10 10 DECE COc1ccc(N(C)CCN(C)c2ncnc(C)c2OC)cc1 848735284 WOMDLFHAUBHPKN-UHFFFAOYSA-N 316.405 2.375 10 10 DECE CCN1C[C@H](CN2CCCc3cc(OC)cc(OC)c32)OC1=O 846996855 QOPCDONYZLQSSY-CQSZACIVSA-N 320.389 2.297 10 10 DECE COC(=O)COc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)cc1 753591604 MKZSPTYIBOJHCN-KBPBESRZSA-N 307.390 2.490 10 10 DECE CO[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)[C@H]1CCOC1 850484923 ULDMSLVZKDBLKC-PKFCDNJMSA-N 301.333 2.373 10 10 DECE CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(F)ccc1O 763479619 LKWRBFMLTPGVBM-HNNXBMFYSA-N 318.348 2.190 10 10 DECE O=C(c1cc(O)cs1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 769354483 NAAYZPWGPYDISI-ZYHUDNBSSA-N 323.370 2.011 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)C2CC(OCc3ccccc3)C2)C1 1958975539 SLHFCQRILICHKM-UHFFFAOYSA-N 322.390 2.059 10 10 DECE COC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 886324148 NNYLBSNIXOQKIK-CYBMUJFWSA-N 323.370 2.240 10 10 DECE C[C@@H](CN1CCOCC1)N(C)Cc1cc2c(cc1O)CCC2 788378305 QODAWFROCYIBSN-AWEZNQCLSA-N 304.434 2.033 10 10 DECE O=C(NC[C@@H]1CCC[C@H]1O)c1cc2cc(O)c(O)cc2s1 896830790 JBINLQAFCOCERG-WCBMZHEXSA-N 307.371 2.203 10 10 DECE O=C(N1CCC(CNCc2ccccc2O)CC1)C(F)(F)F 397728267 AXNFZYKTWTVVQN-UHFFFAOYSA-N 316.323 2.283 10 10 DECE O=C(O)[C@@H]1CCN(Cc2c(O)cccc2Br)C1 706674416 VYAIHWXRTDULLB-MRVPVSSYSA-N 300.152 2.061 10 10 DECE C[C@@H](O)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)cc1Cl 716101209 LALFPHHCAMASQS-OIKLOGQESA-N 317.838 2.405 10 10 DECE Oc1c(Br)cccc1CNCC1OCCCO1 716358843 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2.337 10 10 DECE C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2c(O)cccc2O)C1(C)C 1639292862 TXTPCPZFSYWMMN-PWSUYJOCSA-N 305.374 2.355 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1sccc1Cl 158991513 BCRFDFCLQCXZLN-UHFFFAOYSA-N 323.805 2.111 10 10 DECE C[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1 1865875607 BGBORHOMJZULDH-JTQLQIEISA-N 302.330 2.122 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NCc1ccccc1O 1939192609 YPBQJWBYLCTHPZ-ZIAGYGMSSA-N 322.405 2.022 10 10 DECE O=C(NCc1nccn1Cc1ccccc1)c1cccc(O)c1O 1942381511 MBUTUXCULLSCDI-UHFFFAOYSA-N 323.352 2.273 10 10 DECE C[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)CCS1(=O)=O 1967680071 KYTUNVAIZGSQFC-BXKDBHETSA-N 303.811 2.101 10 10 DECE NCc1cc(F)c(N2C[C@H]3CO[C@@H](C3)C2)cc1Br 2034847635 VWHPFDZHSYVMIX-WPRPVWTQSA-N 315.186 2.272 10 10 DECE Nc1ccc(OCC(=O)N2CCC=C(Br)C2)cc1 404349309 KCTDZJJNGCQBMH-UHFFFAOYSA-N 311.179 2.159 10 10 DECE CCS(=O)(=O)C1(CNCc2cccc(Cl)c2O)CC1 703466760 MTWCLEBTZSHQRI-UHFFFAOYSA-N 303.811 2.103 10 10 DECE OCc1ccc(N2CCN([C@H]3CCSC3)CC2)c(Cl)c1 2171552241 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[N-]=[N+]=N[C@@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)CC1 1934374828 ANPXVFLIVLCINL-GFCCVEGCSA-N 313.361 2.447 10 10 DECE COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c1O 14644673 UGPOBASOHYMNAK-UHFFFAOYSA-N 316.265 2.291 10 10 DECE biogenic,in-vitro COc1cc(CN2CC[C@@H](c3cnn(C)c3)C2)c(O)cc1C 160209029 XFLGFUFNCMFMGW-CYBMUJFWSA-N 301.390 2.432 10 10 DECE C[C@@H](O)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 1858587177 WEDORUOEOUPBAU-JMUHATKESA-N 324.383 2.177 10 10 DECE CCN1CCN(/N=N/c2cc(OC)c(OC)c(OC)c2)CC1 1860487477 AHNAYGJUTDHEOX-WUKNDPDISA-N 308.382 2.349 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CC[C@@H](F)C1 1965751038 ABDHBYPDPQCVES-DGCLKSJQSA-N 301.383 2.292 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985100446 GZBMQXKHLPLGOG-PWSUYJOCSA-N 323.397 2.401 10 10 DECE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccccc1O 1991547533 VDIRFIRGZBFCCZ-CPUCHLNUSA-N 322.405 2.152 10 10 DECE CCN[C@H](C)c1ccc(N(CCO)CCOC)c(Cl)c1 164367643 ZBTSKYBMKUCUCG-GFCCVEGCSA-N 300.830 2.456 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2030274593 GDSUSXCEUPJWLE-HWNAMQAFSA-N 311.223 2.143 10 10 DECE C[C@H](c1cc(F)ccc1O)N1CCC[C@@H](S(C)(=O)=O)C1 380354591 ZGKICHJSIFWGAI-ZYHUDNBSSA-N 301.383 2.101 10 10 DECE C[C@]1(CO)CCN(c2cc(Br)c(CN)cc2F)C1 381506530 UCDQODBWWASFOH-ZDUSSCGKSA-N 317.202 2.256 10 10 DECE NCc1cc(F)c(N2CC[C@@H](CO)C(F)(F)C2)cc1Cl 2177382039 VCGIJENDKHFYQA-VIFPVBQESA-N 308.731 2.392 10 10 DECE Oc1cc(Br)ccc1CNC1CN(C2CCC2)C1 2050134990 CRSDSFSEZRNWOW-UHFFFAOYSA-N 311.223 2.481 10 10 DECE Nc1ccc(NC(=O)CN2CCC(=CBr)C2)cc1 2052271016 WKHXKEAWKLRREO-UHFFFAOYSA-N 310.195 2.192 10 10 DECE CNCc1ccc(N2CCC=C[C@H]2CO)c(Br)c1 2061983494 RWHRREXPKWSKSN-LBPRGKRZSA-N 311.223 2.296 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cnnc(Br)c1 2260919455 UFBJMGSSANFDCM-HTQZYQBOSA-N 311.143 2.200 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H]2SC)s1 2328232331 WVPWPENRYZLJGU-LDYMZIIASA-N 304.462 2.303 10 10 DECE COc1cc(Br)cc([C@H](N)C(C)(C)C(=O)O)c1O 1952339008 SJXZBJFHELEUHC-JTQLQIEISA-N 318.167 2.274 10 10 DECE CO[C@@H](C)[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 188297849 DVCDUGINWMQYAH-AOEIMKSNSA-N 318.417 2.076 10 10 DECE CC[C@@H]1[C@@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(OC)c1O 229104282 HYDXPLCWWWUULP-MRVWCRGKSA-N 310.825 2.484 10 10 DECE Cc1cc(O)c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C 245714061 GOFHHWGEBVTIFN-WBVHZDCISA-N 304.434 2.162 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1C(F)(F)F 252859961 JNYGIRBBRLPHBK-VHRBIJSZSA-N 300.324 2.371 10 10 DECE Cc1cc(C)c(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 530107352 FKGYALSGRCKOCB-CABCVRRESA-N 309.431 2.161 10 10 DECE COc1cc(N2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC 389037356 PSYCSGHUSFMDON-MNOVXSKESA-N 310.350 2.352 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCCc2n[nH]cc2C1 828013986 QFMFXNLHRZZACO-UHFFFAOYSA-N 312.417 2.195 10 10 DECE O=C(NCc1ccccc1O)C1(C(F)(F)F)CCOCC1 830526273 HNTIQBJIEHRWSI-UHFFFAOYSA-N 303.280 2.368 10 10 DECE Cc1cc2c(cc1C)N(C(=O)c1c(C)c[nH]c1CC(N)=O)CC2 908130754 DNEAAGBSHIBWIY-UHFFFAOYSA-N 311.385 2.171 10 10 DECE CN(C)c1ccc(/C=C\CN2CCOC[C@@]23CCOC3)cc1 835052086 NTJVSLNZGXACMP-JXCVUKRWSA-N 302.418 2.257 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)NCc1cncc(O)c1 919081651 LPMSIZRYBKGAJR-UHFFFAOYSA-N 314.389 2.161 10 10 DECE Cc1cc(N(C)C)ccc1CN1CC[C@H](CN2CCOC2=O)C1 840949394 VFZUMIFUKKDOCI-HNNXBMFYSA-N 317.433 2.335 10 10 DECE COc1cc(O)c(CN2CCO[C@H](C3CCC3)C2)cc1OC 840177526 XWZMNHUEHXDSHX-KRWDZBQOSA-N 307.390 2.410 10 10 DECE COc1ccc(NC(=O)NCc2cc(OC)ccc2O)nc1 752825583 HDFLDUYVTVODJR-UHFFFAOYSA-N 303.318 2.126 10 10 DECE CN(C)c1ccc(CN2CCc3c(cccc3C(N)=O)C2)cc1 852754965 RGGQZZDWNJFDNM-UHFFFAOYSA-N 309.413 2.410 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)C2)cc1 852447879 GBXWNAIZTLGTIS-LXTVHRRPSA-N 315.417 2.372 10 10 DECE COC(=O)c1cc(OCC(=O)c2cccn2C)ccc1N(C)C 865396178 LYLDAOFYMKNGSX-UHFFFAOYSA-N 316.357 2.139 10 10 DECE CC[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(C)cc1O 866571203 AQAPHKLVIRRGHM-CYBMUJFWSA-N 314.451 2.056 10 10 DECE C[C@H]1C[C@H]1NC(=N)NCc1ccc(N2CCSCC2)cc1 864454581 ONMRJXKUYAFSOJ-SWLSCSKDSA-N 304.463 2.262 10 10 DECE O=C(O)c1ccc2c(c1)CCCN2C(=O)/C=C/[C@@H]1CCCNC1 864611774 LQIMHEUSCQELFQ-LJLILKBBSA-N 314.385 2.220 10 10 DECE CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(O)c1 770380758 QQJVTLPMADZVJK-GDBMZVCRSA-N 318.417 2.282 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc1 888283542 STAHSTAKPASGTF-LSDHHAIUSA-N 317.433 2.051 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccncc12 1138152390 GKPYQKSLYAOJLG-NSHDSACASA-N 323.352 2.402 10 10 DECE COc1cc(C)cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O 894093329 DFHWKQRKFWUVAG-DZGCQCFKSA-N 318.417 2.200 10 10 DECE C[C@]12CCN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1C2(F)F 793524281 HBHCPDARFFJBGN-YUELXQCFSA-N 311.328 2.295 10 10 DECE COc1cccc(O)c1CN1CC(C)(C)O[C@]2(CCOC2)C1 793366788 TXDDPKJNSOHVAF-QGZVFWFLSA-N 307.390 2.171 10 10 DECE COc1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1O 797819932 XHKHVLUGRKEVGD-UHFFFAOYSA-N 315.297 2.480 10 10 DECE COc1cccc([C@H](O)C(=O)NCc2cc(C)ccc2O)c1 1167293493 GLZAOPKIXWZBGS-INIZCTEOSA-N 301.342 2.059 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3cccc3)C2)cc1 1334738995 CFPCOTBIJWBOMD-GJZGRUSLSA-N 313.401 2.453 10 10 DECE O=C(O)C=Cc1ccc(N2C[C@@H]3COC[C@@H]32)cc1Br 2129733418 YLQSLSLOGAJVFS-MFKMUULPSA-N 324.174 2.382 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnn(C)c(=O)c2)cc1 1289185870 FWZZWSLACFDKEH-UHFFFAOYSA-N 322.368 2.440 10 10 DECE O=C1Nc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc2[C@H]1O 1915433513 OOJPYFVBLNOACB-CRAIPNDOSA-N 324.380 2.468 10 10 DECE CC(=O)N/C(=C/c1cccs1)C(=O)NCc1ccccc1O 1622772988 QWCXEHSSHGJCTI-NTEUORMPSA-N 316.382 2.247 10 10 DECE COc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1OC 1626135574 DEUYTHCOHRKLMJ-UHFFFAOYSA-N 317.341 2.321 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2O)c2c(C)noc2n1 1597568951 LBPXQNRPIMRKCB-UHFFFAOYSA-N 313.313 2.181 10 10 DECE C[C@H](CNCCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1698864424 URXVWMOMCXQRKF-LLVKDONJSA-N 323.372 2.259 10 10 DECE CCCOC(=O)c1ccc(NN=NCCN2CCOCC2)cc1 1860489595 VDGBBCZACMVMPB-UHFFFAOYSA-N 320.393 2.365 10 10 DECE Cc1cc(CN2CCC[C@H](C(=O)N(C)C)C2)ccc1N(C)C 1139672466 XZWAKIPBTCMFOP-INIZCTEOSA-N 303.450 2.361 10 10 DECE COc1cccc([C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1O 1951735315 AFTCNIJEZGEKJU-OAHLLOKOSA-N 311.334 2.225 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)cc1Br 2030273105 PJFDGUBALUKUCT-ZHAHWJHGSA-N 312.207 2.177 10 10 DECE NCc1ccc(N2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 2171543281 HZXRKQFWYWKTPK-CYBMUJFWSA-N 311.882 2.426 10 10 DECE COCCN(c1cc(Cl)c(CN)cc1F)[C@H]1CCOC1 2177389081 SFNFJAWDPYPGFK-NSHDSACASA-N 302.777 2.180 10 10 DECE C[C@H]1C[S@](=O)CCN1c1ccc(C=CC(=O)O)c(Cl)c1 2171962949 IBJGYXXWAMPLSS-WVDJIFEKSA-N 313.806 2.395 10 10 DECE O=C(NCc1cncc(Br)c1)c1cccc(O)c1O 703085209 ZZCWKLVBCUCECC-UHFFFAOYSA-N 323.146 2.185 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CCN2CCC[C@@H]12 706829219 QGCCTYZWVUNZCP-STQMWFEESA-N 311.223 2.481 10 10 DECE CNCc1ccc(N(C)CCCCO)cc1Br 385167134 UCOJJEOWWITDEA-UHFFFAOYSA-N 301.228 2.377 10 10 DECE COc1cccc(O)c1[C@@H](C)n1nc(C)cc1C(=O)N(C)C 2070044316 RNQWTZLOWSYIPV-LLVKDONJSA-N 303.362 2.217 10 10 DECE Cc1cnn(C2CN(c3ccc(CN)cc3Br)C2)c1 2113928332 GHDKLEKIIRRHNT-UHFFFAOYSA-N 321.222 2.474 10 10 DECE CCN[C@@H]1CCC2(C[C@@H]1N(C)c1ccc(OC)cc1)OCCO2 2279042376 WRFRETPTPWYDPZ-SJORKVTESA-N 320.433 2.405 10 10 DECE CSc1ncc(CNC[C@H]2CN(C(C)C)CCO2)s1 2269092903 LRVUFVRHISKUOW-NSHDSACASA-N 301.481 2.064 10 10 DECE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S 2293205511 BWPIWQOPSCJTLZ-SECBINFHSA-N 308.384 2.146 10 10 DECE CSc1ncc(CNC(=O)N(CCC(=O)O)C2CC2)s1 2284539879 WJDFNDNABNUUCF-UHFFFAOYSA-N 315.420 2.014 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311888195 FLOABHJALGYGCP-CBRVECNMSA-N 311.223 2.286 10 10 DECE CN[C@@H](C)CC(=O)NCc1ccc(C)c(Br)c1O 2327590787 BUMIHEYPUJODFB-VIFPVBQESA-N 315.211 2.077 10 10 DECE Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1O 53915067 IYVSBZKXWHNDLU-UHFFFAOYSA-N 301.302 2.276 10 10 DECE Nc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 237969453 NJGNRJUVKDGRKN-UHFFFAOYSA-N 313.357 2.353 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccc(Br)cc1 90260553 WYOAJPMZFRSFRW-SNVBAGLBSA-N 312.171 2.266 10 10 DECE COc1cccc(CN(C)Cc2nc([C@@H](C)OC)no2)c1O 271215609 NDQYCIQOJAYSDV-SNVBAGLBSA-N 307.350 2.123 10 10 DECE Cc1cc(O)c(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1C 824655411 WGUHEBZZOKLSJQ-OIISXLGYSA-N 305.418 2.371 10 10 DECE CC[C@@H](O)[C@@H](C)C(=O)NCc1cc(Br)ccc1O 908169963 FVUSQHNITSDCPY-LDYMZIIASA-N 316.195 2.178 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 902554969 XNDXHOQQBNEION-QSVRLDAFSA-N 300.402 2.418 10 10 DECE CC[C@H]1CCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1 737785506 AAGWXEKFCZJGIC-NSHDSACASA-N 318.377 2.145 10 10 DECE Cc1cc(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)c(Cl)c1 840920487 KLEXQHJGCOIJSU-LLVKDONJSA-N 310.781 2.381 10 10 DECE CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 843831807 RSGRJJABWXMSFZ-NSHDSACASA-N 303.362 2.124 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1n[nH]cc1F 910557624 IJVQAHHJYBDKJQ-LLVKDONJSA-N 304.369 2.284 10 10 DECE CC[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1 850034010 FYKGQOJAXWCQQF-LSDHHAIUSA-N 308.397 2.319 10 10 DECE CN(C)c1ccc([C@@H](C(N)=O)N(C)C(=O)OC(C)(C)C)cc1 698919101 MBAWWCHQTRKMBW-ZDUSSCGKSA-N 307.394 2.146 10 10 DECE CC(C)(C)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1=O 928712170 ZURUSNPDBLUYRK-NSHDSACASA-N 322.380 2.185 10 10 DECE O=C(O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1 854244421 FANZDBLKOMDFEV-UHFFFAOYSA-N 322.380 2.007 10 10 DECE C/C=C/C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 861545800 BRAPXVXQKOJQSU-IBUXWKBASA-N 301.390 2.412 10 10 DECE CN(C)c1cc(F)c(CN2CCC3=C(CCC(=O)N3)C2)cc1F 862408496 IFUJZTFIUYDVNK-UHFFFAOYSA-N 321.371 2.401 10 10 DECE Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1C1CCC1 781607252 SMIKQFWYBYUWNM-UHFFFAOYSA-N 319.386 2.469 10 10 DECE CC(C)c1csc(NC(=O)C(=O)NCc2ccccc2O)n1 789432811 KDWQHRNKJHENSH-UHFFFAOYSA-N 319.386 2.227 10 10 DECE Cc1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)c(O)c1O 781412501 MOLOMWLEKGDBGC-SECBINFHSA-N 301.289 2.250 10 10 DECE Cc1noc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1136459121 IRKZZEWZPJKKLL-LURJTMIESA-N 319.342 2.495 10 10 DECE CN(c1ccc(CN)c(Br)c1F)[C@H]1CCC[C@@H]1O 709432472 UFXHTQYWPUOJBU-ONGXEEELSA-N 317.202 2.397 10 10 DECE COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1 797644027 RLZWEONEYYFVNV-JTQLQIEISA-N 317.345 2.254 10 10 DECE COc1ccc(CNC(=O)NCc2cccc(Cl)c2O)nc1 1227459326 LTLNUQNSSFBLAW-UHFFFAOYSA-N 321.764 2.449 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 1164119677 DTLLJFNOKHZALW-LZQBWUHFSA-N 320.345 2.131 10 10 DECE O=C(c1ccc2c(O)ncnc2c1)N1Cc2cccc(O)c2C1 1175037800 LOEHYQGYBUILQD-UHFFFAOYSA-N 307.309 2.197 10 10 DECE CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[C@@H]2C[C@H]2C1 1345724050 ZOPKWLUWCKGMEL-KBPBESRZSA-N 316.401 2.046 10 10 DECE CC(C)[C@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1 1347914384 JSPCSKPOMLOXQD-ZWNOBZJWSA-N 311.353 2.418 10 10 DECE CN1Cc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc2C1=O 1299280394 CMNZFKXQUXNRBK-VURMDHGXSA-N 324.336 2.335 10 10 DECE 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10 DECE COc1ccc(N2CC[C@H](NCc3ncc(Cl)n3C)C2)cc1 850347629 VCHYGOLYMXDOJW-LBPRGKRZSA-N 320.824 2.451 10 10 DECE Nc1ccc(CS(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1 58238526 IMUDQBRBSILIKP-UHFFFAOYSA-N 305.355 2.082 10 10 DECE Cc1cc(=O)n(CCCOc2ccc(N)cc2)cc1[N+](=O)[O-] 57839377 ZFEFEGIMYGGBKY-UHFFFAOYSA-N 303.318 2.116 10 10 DECE Cc1ccc(O)c(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 785544140 KLZMXVSFABLPMH-NDEYGXKGSA-N 311.425 2.299 10 10 DECE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@]1(C)CO 898985487 WRYPINOFVWUTJE-XXFAHNHDSA-N 321.398 2.403 10 10 DECE COc1cc(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1O 797819967 ZETCEJZLKUQBFP-QWRGUYRKSA-N 314.407 2.035 10 10 DECE COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1264286995 GMAWKOZNAKLKOE-JKSUJKDBSA-N 316.401 2.054 10 10 DECE Cn1c(=O)ccc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 1448524756 VPWKAAZXZQTNFO-UHFFFAOYSA-N 324.336 2.131 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CN)c1ccc(N2CCOCC2)cc1 1536013823 DGOMPPIGJLTCIA-HNNXBMFYSA-N 321.421 2.048 10 10 DECE CC[C@@H](CNCc1ccc(O)cc1O)NC(=O)OC(C)(C)C 227714344 IBTHDKUKUMSQAH-LBPRGKRZSA-N 310.394 2.491 10 10 DECE O=C(Cc1ccnc(F)c1)NCc1ccc2cccnc2c1O 1627073759 SJQXNVXETCYJJT-UHFFFAOYSA-N 311.316 2.333 10 10 DECE COc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1F 1633595176 LAPPWXJPSXPYOS-UHFFFAOYSA-N 305.305 2.104 10 10 DECE Cc1ccc(O)c(CNC(=O)c2ccc3c(N)ncnc3c2)c1 1633283317 ZFZNTSVMEQDDOO-UHFFFAOYSA-N 308.341 2.156 10 10 DECE Cc1ccc(O)c(CNC(=O)Cc2cn3cc(F)ccc3n2)c1 1640800554 ROPKSDDCMNGSEE-UHFFFAOYSA-N 313.332 2.346 10 10 DECE CCCOc1ccnc(CC(=O)N[C@@H](C)c2ccccc2O)n1 1642831047 OKKGOYUCTXCBAI-LBPRGKRZSA-N 315.373 2.391 10 10 DECE O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1cccc(O)c1O 1651796482 RHSZAOALIUWKRI-BXUZGUMPSA-N 303.289 2.299 10 10 DECE COc1ccc(OC)c(C(=O)NCc2cccc(O)c2O)c1 1651173019 NRSXUSTXCAHCRN-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CCN(CC)c1ccc(CNC(=O)Cc2[nH]cnc2C)cc1 1596577909 DDOOXFQBQYMEKA-UHFFFAOYSA-N 300.406 2.423 10 10 DECE CC(=O)NN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 5829579 PMRIEMUVJGBERB-CVNCVQKXSA-N 304.396 2.495 10 10 DECE CCOC(=O)c1sc(NC(=O)Cc2ccc(N)cc2)nc1C 1865956906 NNHKXOVWKXITFJ-UHFFFAOYSA-N 319.386 2.392 10 10 DECE OC[C@H]1COCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 1878778404 NKUHEKWQFCROIL-JOYOIKCWSA-N 306.189 2.186 10 10 DECE C[C@H](NCc1cccc(Cl)c1O)[C@H]1CCCS(=O)(=O)C1 2146099430 DHQPFTMWNQPORO-JQWIXIFHSA-N 317.838 2.349 10 10 DECE COc1cccc(O)c1CNOC1CN(C(=O)OC(C)(C)C)C1 1984440302 ORJNGDMFTLJMOB-UHFFFAOYSA-N 324.377 2.041 10 10 DECE Cn1ncc(C(=O)NCCCN=[N+]=[N-])c1NC(=O)OC(C)(C)C 1985093829 FZANOKNUMATEOO-UHFFFAOYSA-N 323.357 2.197 10 10 DECE CCN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2152285752 SPZPIRXJWVCSEA-SNVBAGLBSA-N 316.854 2.244 10 10 DECE CN(CC1(Br)CC1)C(=O)c1ccc(O)c(O)c1 2020245900 PMOONTRLRVHZBC-UHFFFAOYSA-N 300.152 2.097 10 10 DECE OCc1ccc(N2C[C@H](C3CC3)[C@@H](O)C2)c(Br)c1 2030221428 OEVCCEFPXXKYHI-RISCZKNCSA-N 312.207 2.149 10 10 DECE NCc1ccc(N2C[C@H](C3CC3)[C@@H](O)C2)c(Br)c1 2030227152 PKHGWHDXXIFBAF-RISCZKNCSA-N 311.223 2.115 10 10 DECE CC(=O)NCCN(C)[C@@H](C)c1cc(Br)ccc1O 308167690 AFVBTWSEYBREFF-VIFPVBQESA-N 315.211 2.284 10 10 DECE Nc1cc2c(cc1N(CCO)Cc1ccccc1)OCCO2 309557099 MVVUMXXMAYVSMX-UHFFFAOYSA-N 300.358 2.039 10 10 DECE CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccccc2O)CC1 830526409 LJXBLJJBHKZEJC-UHFFFAOYSA-N 320.389 2.456 10 10 DECE C[C@H](c1cc(F)ccc1O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 2170447796 ZCMPUGWBBQRPIG-GMTAPVOTSA-N 301.383 2.100 10 10 DECE CNCc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1N 2079229558 ISZNYGNSROIWLW-UHFFFAOYSA-N 318.274 2.097 10 10 DECE CN1CCc2cc([C@H](N)c3c(Br)cnn3C)ccc21 2098361923 WHILRPBVBRACBC-ZDUSSCGKSA-N 321.222 2.223 10 10 DECE C[C@H]1CN(C)[C@H](C)CN1c1ccc(CO)cc1Br 2222178922 GTENUOJXVLJVDA-MNOVXSKESA-N 313.239 2.470 10 10 DECE C[C@@H]1CN(c2ccc(CO)cc2Br)[C@H](C)CN1C 2222178921 GTENUOJXVLJVDA-GHMZBOCLSA-N 313.239 2.470 10 10 DECE CN[C@H](C)c1cnc(SCCOCCOCCOC)s1 2240421192 ISJQLYNUNFXLNQ-LLVKDONJSA-N 320.480 2.195 10 10 DECE CSc1ncc(CNC(=O)c2cc(Cl)ncc2N)s1 2269095196 WGFLULXLBRQPHA-UHFFFAOYSA-N 314.823 2.426 10 10 DECE Cc1ccc(CN(C)C[C@@H]2C[C@@H]2CN)c(O)c1Br 2327587368 XTWWFLGNOMTDGK-NEPJUHHUSA-N 313.239 2.490 10 10 DECE Cc1nc(CNCc2ccc(C)c(Br)c2O)n[nH]1 2327612138 JFURWRQCCJPUSA-UHFFFAOYSA-N 311.183 2.179 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1cccc(O)c1O 1952219939 OIVZAXPTAYGTTL-GFCCVEGCSA-N 308.378 2.369 10 10 DECE CN(C)c1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 301837138 MJINBMDUVBCAPZ-UHFFFAOYSA-N 312.333 2.316 10 10 DECE Cc1cc(Br)cnc1NC(=O)c1cc(O)nc(O)c1 129653037 SYAHIRJNENYCQE-UHFFFAOYSA-N 324.134 2.211 10 10 DECE CCCCN(C1CC1)S(=O)(=O)CCOc1ccc(N)cc1 70490700 UNRPWINPHVRRJP-UHFFFAOYSA-N 312.435 2.242 10 10 DECE Nc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 71700086 HBGBMXFDRSTJIC-UHFFFAOYSA-N 311.385 2.287 10 10 DECE Cc1cc(NS(=O)(=O)c2csc(CO)c2)cc(C)c1O 2366560965 PAYJIQAVUAFRBC-UHFFFAOYSA-N 313.400 2.364 10 10 DECE COc1ccc(N2CCN(Cc3cccnc3OC)CC2)cc1 193293889 DSXQWLSWZBCKFK-UHFFFAOYSA-N 313.401 2.421 10 10 DECE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(Cc2ccccc2)[C@H]1C 381097515 YPPFGXVRGDZXSK-XJKSGUPXSA-N 317.393 2.093 10 10 DECE CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 245814150 ZWBSQQFAYTYZPK-IRXDYDNUSA-N 319.493 2.420 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1nnc(Br)s1 2213582517 IQIAIUDLLKIPFR-WHFBIAKZSA-N 317.172 2.262 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2CCCC2(F)F)c1O 807595769 DRTNCDKGDHRCKD-LLVKDONJSA-N 300.305 2.388 10 10 DECE CCOc1ccc(CNC[C@@H](O)Cc2ccccc2)c(O)c1 808422350 JDZCRKZBPOGBBH-INIZCTEOSA-N 301.386 2.484 10 10 DECE COc1ccc(N2CCC(NC(=O)N3CCCO3)CC2)cc1 812023869 DNBONUBLTOSDMN-UHFFFAOYSA-N 305.378 2.011 10 10 DECE CC(C)N(Cc1cc(Cl)cc(Cl)c1O)C[C@H](O)CO 817417423 GNFDEZGCBQORAD-NSHDSACASA-N 308.205 2.263 10 10 DECE CN(C)c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1F 826845930 NITSOPGEGUJWNJ-AWEZNQCLSA-N 303.385 2.005 10 10 DECE CCC(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 823497703 KTLWYAIFVSIUCK-UHFFFAOYSA-N 310.781 2.260 10 10 DECE CCN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 832463396 ZMXYBQZMXLKQON-DLBZAZTESA-N 322.474 2.294 10 10 DECE C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@](C)(CCF)C1=O 849354744 VISLEIKDMGGIEZ-MEDUHNTESA-N 307.369 2.484 10 10 DECE C[C@@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)c2ncnn21 850352291 RETKMSZOFQHARV-GMSGAONNSA-N 323.740 2.341 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3oc(C)nc3C)C2)cc1 855232010 PRJXFCFENFXLDD-CYBMUJFWSA-N 315.373 2.309 10 10 DECE COc1cncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C 867302724 TZRJCOZMFZKLTG-SNVBAGLBSA-N 316.357 2.171 10 10 DECE Cc1cc(O)ccc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1123684386 HNMPASQDAVHHCZ-GFCCVEGCSA-N 315.369 2.402 10 10 DECE CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@H](O)CC1 784669804 KLZPEVFOQVTOND-WKILWMFISA-N 322.424 2.398 10 10 DECE COc1cc(C)cc(CNc2cnc(C)c(C(N)=O)c2)c1O 895443878 LZVAUENAJMTDTE-UHFFFAOYSA-N 301.346 2.124 10 10 DECE CC(C)/C=C/C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 785058421 HTQNLBDOKCTJGZ-IZZDOVSWSA-N 318.417 2.466 10 10 DECE C/C=C/C[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 897419504 BNNPFJQQHWMNBT-PBKGFPTLSA-N 307.371 2.369 10 10 DECE CN(C[C@@H]1CCOC1)C(=O)c1cc2cc(O)c(O)cc2s1 896848803 SVVGEZKUSFAQAQ-VIFPVBQESA-N 307.371 2.421 10 10 DECE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)c2ccccc2N1 1152566036 SPMZWUXGNOQIDQ-ZDUSSCGKSA-N 308.337 2.360 10 10 DECE Oc1cccc(F)c1CN=c1[nH]nc(Br)s1 2210584480 FMWVIMWLTURSAR-UHFFFAOYSA-N 304.144 2.179 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc2nccnc2cc1F 1304053536 NFFPLGCHQCNHTP-UHFFFAOYSA-N 313.288 2.110 10 10 DECE CCn1cnc(C(=O)NCc2cccc(Br)c2O)c1 1467764111 OXGDBMGAHJSCBL-UHFFFAOYSA-N 324.178 2.301 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc2nc(S)oc2c1 1643882383 UQUOBMOUWXMKKB-UHFFFAOYSA-N 316.338 2.458 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N(C)CCCS(C)(=O)=O 2138557009 MBGZQMKHTALSRR-SNVBAGLBSA-N 305.827 2.473 10 10 DECE C[C@@H](NC(=O)NCc1cccnc1N)c1ccc(N(C)C)cc1 1671851939 NDWTXCITHJGBRQ-GFCCVEGCSA-N 313.405 2.290 10 10 DECE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 16904658 RSAJCEPMHVDSTL-QBQSQJOESA-N 323.395 2.457 10 10 DECE COc1ccc(/C=C2/SC(=S)N(C[C@H](C)O)C2=O)cc1 1858586994 OJEASURKDUZSKU-SZUMLMDFSA-N 309.412 2.277 10 10 DECE COc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)s1 1963984734 RIVBDYBPLYPVTE-UHFFFAOYSA-N 313.400 2.283 10 10 DECE CC[C@@H](O)[C@@H](C)NCc1c(Br)ccc(OC)c1O 1965894516 WNNNVEIUPRGFHY-LDYMZIIASA-N 318.211 2.412 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)[C@@H](CO)C1 1981515252 QYOOGUJETLACJU-IUODEOHRSA-N 321.421 2.299 10 10 DECE O=C1Nc2cc(N3C[C@@H]4[C@H](C3)C4(F)F)c(Cl)cc2[C@H]1O 715540135 OGCVPMBCEMEEGE-PTZCXBDSSA-N 300.692 2.027 10 10 DECE O=C(O)[C@@H](NCc1cc(Br)ccc1O)C1CCC1 399223635 WFJSBHNEMCAHOE-LBPRGKRZSA-N 314.179 2.498 10 10 DECE C[C@@H]1CC[C@H](Sc2nccs2)C[C@]1(NC1CC1)C(N)=O 2175745348 HNLNDMXYEGJOQE-OLUVUFQESA-N 311.476 2.400 10 10 DECE Nc1c(C(=O)O)nn(Cc2cc(F)ccc2O)c1C(F)(F)F 2079138826 ZIQQXHUSXBOMTE-UHFFFAOYSA-N 319.214 2.075 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)c(F)c1Br 2052048185 WPPKCBPVCXFOPJ-WCABBAIRSA-N 315.186 2.006 10 10 DECE O=C1Nc2cc(N3CC(C4CC4)C3)c(Br)cc2[C@H]1O 2097247464 NDJSVMDQDZFALY-CYBMUJFWSA-N 323.190 2.281 10 10 DECE O=S1(=O)C[C@H]2CCC[C@]2(NCc2ccc(Cl)cc2O)C1 2201884834 TVJNYGGKPJRXPA-RISCZKNCSA-N 315.822 2.103 10 10 DECE OCCCC1CN(c2ccc(CO)cc2Br)C1 2216693582 SAKVLVUVSZNLGS-UHFFFAOYSA-N 300.196 2.150 10 10 DECE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccncc2)SC1=S 2293055334 VRGPCICABMEWHR-LLVKDONJSA-N 322.411 2.392 10 10 DECE Cn1nccc1C=C1SC(=S)N(c2cccnc2)C1=O 2296958669 QZMQMSRFZHJQQI-UHFFFAOYSA-N 302.384 2.221 10 10 DECE CN(C)[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001662 DFBRTRNKGAPJLG-ZIAGYGMSSA-N 304.390 2.100 10 10 DECE CO[C@@H]1CC(=O)N(Cc2ccc(C)c(Br)c2O)C1 2327606882 OOXYNHHQODXYGG-SNVBAGLBSA-N 314.179 2.210 10 10 DECE COCCn1nc(Br)nc1Oc1ccc(N)cc1 2328425395 DKEBFAHRXONJNK-UHFFFAOYSA-N 313.155 2.062 10 10 DECE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/N[C@@H](C)C(=O)O 108686746 FHIBZFFQXHUEPQ-SZUMLMDFSA-N 307.737 2.009 10 10 DECE COc1cc([C@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc(O)c1O 1952152437 NOSMJRSCICIYIW-ZDUSSCGKSA-N 323.345 2.357 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1Br 300295071 MJIWWFMFVOKCNZ-VHRBIJSZSA-N 311.223 2.115 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 180671633 LJKRUVICIYRHGI-HDZMBNNRSA-N 303.358 2.281 10 10 DECE CN(Cc1cc(Cl)c(F)cc1O)CC1(O)CCOCC1 294654382 LAIXPGJYLCRAIQ-UHFFFAOYSA-N 303.761 2.158 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)c(OC(F)F)c(C)c1 808515938 SCSCEPTZFUPBMN-UHFFFAOYSA-N 300.257 2.220 10 10 DECE COC[C@H](CC1CCOCC1)NCc1cccc(OC)c1O 825916679 SSYPRCXXLFRQPW-HNNXBMFYSA-N 309.406 2.322 10 10 DECE COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)O2)c1O 822410972 HNERIQCMTCYOLQ-YPMHNXCESA-N 308.378 2.158 10 10 DECE CCOc1cccc(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)c1O 903982909 ZJNZDNZTTBAZME-GHMZBOCLSA-N 304.312 2.112 10 10 DECE COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3CCCCN23)c1 901129169 AGYIAGRPTPSAFQ-HIFRSBDPSA-N 304.390 2.034 10 10 DECE CN(C)c1ccc(CNC(=O)COc2ccc(O)cc2)cc1F 733893078 WAOSKCDPEAUSIM-UHFFFAOYSA-N 318.348 2.293 10 10 DECE Cc1ccn([C@H](C)CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 831924209 FBTJRBUYESZPCQ-CHWSQXEVSA-N 317.389 2.301 10 10 DECE COc1ccc(CNC(=O)CC2CCC(C(=O)O)CC2)c(O)c1 911720141 WTONTZJAWYRSHT-UHFFFAOYSA-N 321.373 2.298 10 10 DECE COc1cc(O)c(CN[C@H]2CCNC23CCCC3)cc1OC 843129129 RTAKZQVIPRJCRH-INIZCTEOSA-N 306.406 2.174 10 10 DECE CCN(CC)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 847358384 WJSOVGSPDYZHLN-OAHLLOKOSA-N 303.450 2.491 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnn[nH]1 748415762 BKNHLCDXMJWJRC-UHFFFAOYSA-N 301.375 2.204 10 10 DECE C[C@@H]1CN(C(=O)NCCCSc2nccs2)CCC1=O 921446977 VKTVOSRHRKFVLB-SNVBAGLBSA-N 313.448 2.246 10 10 DECE COc1cc(Br)cc([C@@H](C)NCC2COC2)c1O 858551833 AMFUCDABUAZFMT-MRVPVSSYSA-N 316.195 2.460 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1cc(C)cn1 935946398 GOKCAHWDNHNRGC-UHFFFAOYSA-N 308.378 2.089 10 10 DECE O=S(=O)(C1Cc2ccccc2C1)N1Cc2cccc(O)c2C1 867690592 JWTIUURRADJYAX-UHFFFAOYSA-N 315.394 2.205 10 10 DECE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1cnn(C)c1 862024681 DIDWNHSKEBGTEX-LBPRGKRZSA-N 324.384 2.484 10 10 DECE C[C@H](NC(=O)N[C@H]1C[C@H](C)n2ncnc21)c1ccccc1O 868763717 CPTYZVMJALXTEH-NHCYSSNCSA-N 301.350 2.050 10 10 DECE Fc1cc(CN2CC[C@]23CCOC3)ccc1N1CCOCC1 1117995494 WRXPEYXJVPFTBX-QGZVFWFLSA-N 306.381 2.027 10 10 DECE COC(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 778921527 CTUSLMDYDXOERJ-UHFFFAOYSA-N 316.313 2.206 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2[nH]nnc12 773884388 NBWVLCSEJWLLDV-UHFFFAOYSA-N 324.388 2.081 10 10 DECE Cc1ccc(C(=O)NCCN(C)C2CCCCC2)c(O)c1O 780914393 ITUSLMCZFQGBRW-UHFFFAOYSA-N 306.406 2.401 10 10 DECE C[C@H](NC(=O)N(C)CC1(CO)CC1)c1ccc(N(C)C)cc1 782992881 ZBSWAKLSBJHJIZ-ZDUSSCGKSA-N 305.422 2.228 10 10 DECE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CCC[C@H]1O 709425989 UFXHTQYWPUOJBU-MWLCHTKSSA-N 317.202 2.397 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCCN(C[C@@H]2CCCCS2(=O)=O)C1 1912196491 VUGSCKGVKMQUQP-STQMWFEESA-N 300.428 2.366 10 10 DECE COc1cccc(CNC(=O)c2ccn3c(C)cnc3c2)c1O 1294925615 QZZXCVOZCSOSOZ-UHFFFAOYSA-N 311.341 2.287 10 10 DECE Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(Cl)n1 1451948968 FYMXKMZBFAGTGR-UHFFFAOYSA-N 316.748 2.257 10 10 DECE Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2c(O)cccc2O)cc1 1456234948 KESCMPHIYKRQCY-SJCJKPOMSA-N 315.369 2.187 10 10 DECE CC(C)(C)OC(=O)NCC1CC(O)([C@@H](N)c2ccccc2O)C1 1920085006 DJIGOIVEKDGUEC-WKXXDYOBSA-N 322.405 2.058 10 10 DECE C[C@@H](NC(=O)CCN1C(=O)CSC1=S)c1ccccc1 1865764825 CESZIBULNNRBMH-SNVBAGLBSA-N 308.428 2.114 10 10 DECE Cc1nnc(N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 1707901304 HOPDFFUKUWGPFB-UHFFFAOYSA-N 303.385 2.440 10 10 DECE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2cc[nH]n2)cc1C 1717401056 MVEFLPWIWQVEIS-OLZOCXBDSA-N 316.405 2.023 10 10 DECE C[C@H]1CS(=O)(=O)CCN1[C@H](C)c1cc(Cl)ccc1O 228891278 ZLWLGYMAKCPCTC-VHSXEESVSA-N 303.811 2.226 10 10 DECE CCOC(=O)c1nc(=NCc2cccc(Cl)c2O)cc[nH]1 1559300507 SSAQAAXSGOCYKG-UHFFFAOYSA-N 307.737 2.046 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCCOC2)cc1C 1732989075 DEJKZVGQGXBRQT-HOCLYGCPSA-N 320.433 2.025 10 10 DECE O=C(CNC(=O)c1ccccc1)NCc1cc(Cl)ccc1O 1644588133 XSIZPGJNRVCTHU-UHFFFAOYSA-N 318.760 2.092 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2cncs2)cc1C 1732949236 KDSLVJUWOUSLCD-GFCCVEGCSA-N 319.430 2.368 10 10 DECE CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C 1593881420 KXGUROXZKMTPCW-CQSZACIVSA-N 323.389 2.328 10 10 DECE O=C1C[C@@H](c2ccccc2F)N=C(NC(=O)c2ccccc2)N1 15679113 KNMVDASZAQBFAV-AWEZNQCLSA-N 311.316 2.173 10 10 DECE CN(CC[C@@](C)(O)[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1980068895 FHGLGIABSIVMGK-WMLDXEAASA-N 324.421 2.400 10 10 DECE CC[C@@H](NN1CCNCC1)c1cc(Br)ccc1O 2028919913 NUCCOSACXZFZMI-GFCCVEGCSA-N 314.227 2.016 10 10 DECE COC(=O)c1ccnn1Cc1cc(Br)ccc1O 2069957001 FDFLPYXNGFZYML-UHFFFAOYSA-N 311.135 2.186 10 10 DECE C[C@H](CS(=O)(=O)C(C)(C)C)NCc1cc(F)ccc1O 2170596971 LGQYGCMFGNPGHF-SNVBAGLBSA-N 303.399 2.223 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(SC(F)F)C1 2196715025 QOOYFNLGYWXLPZ-QMMMGPOBSA-N 301.362 2.236 10 10 DECE C[C@@H](N)c1cc(F)c(N2CC[S@](=O)C(C)(C)C2)c(F)c1 2194699104 DMNWBCKRUBEJTL-YBYGRFCBSA-N 302.390 2.332 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(Br)c1 2056994537 OGBSGZLPULZYBN-HLUHBDAQSA-N 318.186 2.269 10 10 DECE C[C@H](N=c1[nH]ccnc1Br)c1ccc(O)cc1O 2057934999 GMARUJLXAPUQJW-ZETCQYMHSA-N 310.151 2.245 10 10 DECE CN1C[C@H]2CC[C@H]1CN2c1ccc(CO)cc1Br 2066621089 BRUYSEVPPSMNLX-NWDGAFQWSA-N 311.223 2.224 10 10 DECE Nc1ccc(CCC(=O)Nc2ncc(Br)cn2)cc1 2102382344 VMSNWHZWPRXHRH-UHFFFAOYSA-N 321.178 2.393 10 10 DECE C[C@H](N)c1ccc(N2CCn3ncnc3C2)c(Br)c1 2114038489 NLOONCRIHCRMNN-VIFPVBQESA-N 322.210 2.081 10 10 DECE OCc1ccc(N2[C@H]3CC[C@H](O)[C@H]2CC3)cc1Br 2222294440 WAALTRLPTLWCOQ-HONMWMINSA-N 312.207 2.434 10 10 DECE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2293438605 BWMXWQYIHRPZIZ-JTQLQIEISA-N 310.400 2.325 10 10 DECE CCCCCN1C(=O)C(=CN2CCOCC2)SC1=S 2296594548 XGGBEOQMGPYQFM-UHFFFAOYSA-N 300.449 2.211 10 10 DECE COc1ccc(CN2CCN(Cc3cc(C)on3)CC2)c(O)c1 120613788 JUCHGEQBXOBPLO-UHFFFAOYSA-N 317.389 2.015 10 10 DECE CCOc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1O 188468567 QUIMFPIQTOTTLD-CYBMUJFWSA-N 319.361 2.056 10 10 DECE Cc1sc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1N 2363091451 AIBWHSBWMKDHDG-MRVPVSSYSA-N 312.416 2.384 10 10 DECE Cc1noc([C@@H]2COCCN2Cc2cccc(Cl)c2O)n1 188477038 KHQUECIWRYLSPJ-LBPRGKRZSA-N 309.753 2.311 10 10 DECE COc1ccc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)cc1 14645196 JENUDBBUZMVAMW-UHFFFAOYSA-N 316.265 2.291 10 10 DECE biogenic Oc1ccc(I)cc1[C@@H]1C[C@H](F)CN1 1952876063 BGSKBRKYWXXSOX-RCOVLWMOSA-N 307.106 2.369 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)CC[C@H](C)O)c(Cl)cc21 253033336 UPAXLJFXXKJGKB-LKFCYVNXSA-N 311.813 2.150 10 10 DECE Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1ccccn1 271346578 NTDHIIQQFWMXAP-ZDUSSCGKSA-N 301.390 2.378 10 10 DECE CC(=O)C(=O)COC(=O)c1ncoc1-c1ccccc1Cl 808521804 FIJOTGXUGQXWNM-UHFFFAOYSA-N 307.689 2.310 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Cc2cn(C)nc2Cl)c1 815835419 SPXSNGRRVSYPPN-VIFPVBQESA-N 323.780 2.208 10 10 DECE Nc1ccc(Cc2nn(CCC(=O)O)c(=O)c3ccccc23)cc1 821186610 HKTQQHTZPTTWTK-UHFFFAOYSA-N 323.352 2.044 10 10 DECE CN(C(=O)c1cc(O)cs1)[C@@H]1CCN(c2ccccc2)C1=O 738538226 IKAMCUUPAONFGP-CYBMUJFWSA-N 316.382 2.331 10 10 DECE CN(C)c1ccc(/C=C\CNCCOC[C@@H]2CCOC2)cc1 835035496 DGMQDXACVUQQNP-CWIOURORSA-N 304.434 2.409 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)CCC3)c1 843831543 QZIIMBZNEFMRDF-JTQLQIEISA-N 301.346 2.035 10 10 DECE CCOc1ccc(N(CC)C[C@@H](O)COC[C@@H]2CCCO2)cc1 747683198 SWQWEVXXXZKTFE-AEFFLSMTSA-N 323.433 2.468 10 10 DECE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@@H]2COC[C@@H]12 1899863545 HXZUAYMWNPHOGT-GUDVDZBRSA-N 311.381 2.462 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(N)c3)C2)cc1 851640504 WPHXKMSWHYLSCE-OAHLLOKOSA-N 311.385 2.286 10 10 DECE O=C(COC(=O)[C@]12CCCC[C@@H]1OCC2)c1ccc(O)c(O)c1 924219165 HDVBWHBDHYBFFO-RDJZCZTQSA-N 320.341 2.173 10 10 DECE C[C@H](NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1)c1ccc(N(C)C)cc1 854003700 KGRUFBXXLJSMEL-IHRRRGAJSA-N 319.449 2.472 10 10 DECE CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCN1 854218186 TTYZWKSDIAHCJK-WBAXXEDZSA-N 303.450 2.394 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ccnc(F)c3)C2)cc1 855229780 MBVRFVIOIVBOPC-ZDUSSCGKSA-N 315.348 2.238 10 10 DECE FC1(F)C[C@H]1OCCNCc1ccc(N2CCOCC2)cc1 850365879 SCMCDMUKAQKAEG-OAHLLOKOSA-N 312.360 2.037 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NOC3CCC3)C2)cc1 852367239 UKPBLGXONIJDJU-LBPRGKRZSA-N 305.378 2.057 10 10 DECE CO[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 850484766 QEJLUOYEYWJUDY-ZIBATOQPSA-N 310.350 2.003 10 10 DECE CN(Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@H]2O 768440080 CVKKTBIURSPSIT-CQSZACIVSA-N 320.776 2.498 10 10 DECE CS(=O)(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 761370952 GGXJQCIKQTVPCP-UHFFFAOYSA-N 321.333 2.211 10 10 DECE CCOc1ccc(CN[C@@](C)(CO)c2cccc(O)c2)c(O)c1 862432489 FUAOHBPWHBCLNH-SFHVURJKSA-N 317.385 2.494 10 10 DECE CC(C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1Cl 860243552 PYZZLYYXKFHYMW-UHFFFAOYSA-N 309.753 2.459 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCOC[C@H]2C)c1 763620306 TZCULEHPCUYZRS-UHIISALHSA-N 308.378 2.186 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)CCC12CC(CN1)C2 870888957 UUJVFFFBKGMNLP-UHFFFAOYSA-N 301.434 2.209 10 10 DECE C[C@H](O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1119525696 HPPYRIBYCQREGA-IUCAKERBSA-N 307.371 2.155 10 10 DECE CCCN1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773761672 BTUJRAWLSUVGFK-OCCSQVGLSA-N 306.406 2.019 10 10 DECE COC(=O)c1c(CN2CCC[C@@H](O)C2)c2cc(F)ccc2n1C 893872870 WLTMTFKCNSQTSD-GFCCVEGCSA-N 320.364 2.061 10 10 DECE CCCN1c2cc3c(cc2NCC12CCNCC2)OCCO3 76935457 ZUWFKBOBOIEYHI-UHFFFAOYSA-N 303.406 2.222 10 10 DECE Cc1nnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 1137550975 WAFBGADOLVGKOE-ZETCQYMHSA-N 302.294 2.031 10 10 DECE COC(=O)c1ccc(NCc2ccc(OC)cc2O)nc1OC 795289124 HBXHVMZDYNDOQS-UHFFFAOYSA-N 318.329 2.203 10 10 DECE C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331982232 ZKIDLLOEZQYKBO-CHWSQXEVSA-N 316.401 2.272 10 10 DECE COCCN(CCF)C(=O)NCc1ccc(N(C)C)c(F)c1 1333722257 OTFLETDJCDKZLS-UHFFFAOYSA-N 315.364 2.019 10 10 DECE C[C@@H](NC[C@@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 1262263033 DVURTYPNTNRTFT-PBHICJAKSA-N 306.450 2.459 10 10 DECE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)c2ccon2)cc1C 1505567857 XADFOZPICHJRQN-CHWSQXEVSA-N 317.389 2.288 10 10 DECE O=C(CCN1C(=O)CSC1=S)Oc1ccccc1Cl 1865774632 TXHLZNLDRFUIBP-UHFFFAOYSA-N 315.803 2.496 10 10 DECE CCOCCCNCc1ccc(N2CCOCC2)c(OC)c1 212686195 BYDPQBYTNJZIDM-UHFFFAOYSA-N 308.422 2.048 10 10 DECE O=C(NCCc1ccnn1-c1ccccc1)c1cccc(O)c1O 1558407455 DMHDJJAIAKGRAY-UHFFFAOYSA-N 323.352 2.256 10 10 DECE Cc1c(C(=O)NCc2cc(O)ccc2O)oc2c1C(=O)CCC2 1633595046 GABNWXDMQYDBHK-UHFFFAOYSA-N 315.325 2.448 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)Cc2ccc[nH]2)cc1C 1731640058 MAXGTMWIYQSDTF-CQSZACIVSA-N 315.417 2.169 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 1640863802 NAJUMRHOCHUDPN-WCQYABFASA-N 304.350 2.130 10 10 DECE CCCc1noc(CCCC(=O)NCc2c(O)cccc2O)n1 1645360792 JCYXVXBDVJJTFK-UHFFFAOYSA-N 319.361 2.072 10 10 DECE COC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 4342381 RUPWYDCAIDVXPC-NTMALXAHSA-N 311.384 2.434 10 10 DECE COCCNCc1ccc(N2CC[C@@H]([C@H](C)O)C2)c(Cl)c1 167878344 PXGNPHGALSILDF-GXTWGEPZSA-N 312.841 2.283 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)[C@@H](N)c1ccccc1O 1936986809 MGMDITLWVOLHJF-JKIFEVAISA-N 322.405 2.322 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N(C)C[C@@H]1CCS(=O)(=O)C1 2148786630 HHDQDVJKDNLFGY-QWRGUYRKSA-N 317.838 2.473 10 10 DECE CO[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1F 2029806788 IWEQDDSIZDZDRZ-PWSUYJOCSA-N 321.165 2.220 10 10 DECE CO[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H]1F 2029806160 CYPKUDCBSXMEJV-WCBMZHEXSA-N 321.165 2.220 10 10 DECE COC(=O)[C@H](NCc1c(O)cccc1Br)C(C)C 706630814 LJJLPTLDCKCERN-GFCCVEGCSA-N 316.195 2.442 10 10 DECE CN1C[C@@H]2CC[C@H](C1)N2c1ccc(CN)cc1Br 687238212 TZHQQKWFYMUHJH-TXEJJXNPSA-N 310.239 2.191 10 10 DECE CCNCc1ccc(N2CCSC[C@H]2CO)cc1Cl 388132930 ZALBMABOMXDDLC-CYBMUJFWSA-N 300.855 2.364 10 10 DECE CN1CC2(CCN(c3ccc(CN)cc3Br)C2)C1 398613442 GYBZTURVOCOMLM-UHFFFAOYSA-N 310.239 2.050 10 10 DECE CN[C@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2179927354 VXYSSHLEWXPBRG-ZYHUDNBSSA-N 316.854 2.244 10 10 DECE N[C@@H]1CN(Cc2ccc(Br)cc2O)CC(F)(F)C1 2064314861 YWNCAUULIFHVLU-JTQLQIEISA-N 321.165 2.323 10 10 DECE CNCc1ccc(N2CCn3nccc3C2)c(Br)c1 2088490749 TZTUQBGGLOJVBJ-UHFFFAOYSA-N 321.222 2.385 10 10 DECE COc1ccc(N2CCC[C@@H]2CO)c(OC)c1Br 2219393775 LWKBQPHDVFCDKT-SECBINFHSA-N 316.195 2.427 10 10 DECE CSc1ncc(CNC(=O)[C@@H](CN)c2ccccc2)s1 2284501486 TWMHOGROXXVZGT-LBPRGKRZSA-N 307.444 2.224 10 10 DECE C[C@H](CN(C)C)N(C)c1ccc(CN)c(Br)c1 2306886390 KKTAZRVKIFFQAX-SNVBAGLBSA-N 300.244 2.294 10 10 DECE C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])O1 2364101524 RJCCWOKTKVLDFP-UTUOFQBUSA-N 302.400 2.049 10 10 DECE CC1(C)CC[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 130630180 GDQAFTHHCYUMQI-ZDUSSCGKSA-N 312.435 2.146 10 10 DECE COC(=O)CNC(=O)c1cc(C)n(-c2ccccc2F)c1C 42860082 BDHWIBFPPPFDNQ-UHFFFAOYSA-N 304.321 2.136 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Br)cn1C(C)C 808522302 QMWNJWKNXKAAMW-UHFFFAOYSA-N 316.151 2.146 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](CO)C2)cc1F 299022158 STOZIANVJKQVEM-KGLIPLIRSA-N 323.412 2.242 10 10 DECE COC(CN(C)Cc1cc(Cl)cc(C(C)=O)c1O)OC 2165114398 DSSQPBVWJQFTCL-UHFFFAOYSA-N 301.770 2.299 10 10 DECE COc1cccc(O)c1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O 801734722 JUDGGQJMJVJKSS-CXAGYDPISA-N 321.417 2.058 10 10 DECE CO[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 821843872 QORHIWVRTLYUPP-ZDUSSCGKSA-N 304.350 2.490 10 10 DECE CN1CCCc2cc(CNS(=O)(=O)c3cscn3)ccc21 827071229 ALHAZBQYWSVXDD-UHFFFAOYSA-N 323.443 2.004 10 10 DECE CN(Cc1ccccc1O)C(=O)c1ccnn1CC(F)(F)F 825481534 LLEZATKZRYPXJS-UHFFFAOYSA-N 313.279 2.423 10 10 DECE O=C(NCCCNC(=O)c1cc(O)cs1)c1ccccc1 732281178 RIZGGJBGKKXKEN-UHFFFAOYSA-N 304.371 2.004 10 10 DECE CC(C)COC[C@@H](O)CNC/C=C\c1ccc(N(C)C)cc1 835034845 FQSYGPWQMOEWAI-XFHJGTJQSA-N 306.450 2.389 10 10 DECE C[C@H](NC(=O)N[C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 836407471 ZYIDZTGKNGWIFP-SWLSCSKDSA-N 313.405 2.454 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 848226683 URTVIWWLCWPDFQ-ZBFHGGJFSA-N 317.477 2.450 10 10 DECE Oc1cc2c(cc1CN[C@H](C1CCOCC1)C1CC1)OCO2 846043390 YYJRQAADTWACSY-KRWDZBQOSA-N 305.374 2.416 10 10 DECE 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CC[C@H](C(=O)O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 844938039 UEYPCCAGUCIYMV-SECBINFHSA-N 302.714 2.249 10 10 DECE CCOCc1cc(CN[C@@H]2CNCCC2(F)F)ccc1OC 841075627 TUUKKLKLORZGPG-OAHLLOKOSA-N 314.376 2.319 10 10 DECE CN(C)CC1(CNC(=O)NCc2c(O)cccc2F)CCCC1 921965600 OHVDRICVWRCRBE-UHFFFAOYSA-N 323.412 2.453 10 10 DECE N[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 925477536 FIGJBTJIYXFKBD-DLBZAZTESA-N 319.424 2.022 10 10 DECE CN1C[C@@H](CCNCc2c(O)ccc(Cl)c2F)CC1=O 922487703 PFKSOTRDGKDSAN-VIFPVBQESA-N 300.761 2.143 10 10 DECE COc1cccc(CNC(=O)NC[C@H](C)c2ccccn2)c1O 854261474 CQHOZZBVWCDEET-LBPRGKRZSA-N 315.373 2.399 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)no3)C2)cc1 855228405 BTNCGSHPEZXHEI-GFCCVEGCSA-N 301.346 2.000 10 10 DECE C/C=C/C[C@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 761181368 VELJAADYZXPLCP-NHZBNJEXSA-N 313.401 2.456 10 10 DECE CCN(CC)c1ccc([C@H]2NC(=O)NC(C(=O)O)=C2Cl)cc1 76256334 WCMCQYWXDJHDNG-GFCCVEGCSA-N 323.780 2.422 10 10 DECE COc1ccc(CNCC2CSC2)cc1Cn1cccn1 895423642 ADHWBAHNAZEBKP-UHFFFAOYSA-N 303.431 2.393 10 10 DECE CC(C)(C)OC(=O)NCC1CN(CCc2ccc(N)cc2)C1 1959548081 HIIHURQHHWJXPS-UHFFFAOYSA-N 305.422 2.268 10 10 DECE N[C@H]1[C@H]2C[C@H]1N(Cc1cc(Cl)cc(Br)c1O)C2 708133554 MADWKCLNNPHLNG-FZYJTZEISA-N 317.614 2.340 10 10 DECE Nc1c(C(=O)NCc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] 1146233214 QUVCBCYTEOWUCD-UHFFFAOYSA-N 321.720 2.466 10 10 DECE COc1cc(F)c(C(=O)NCCc2ccc(O)c(O)c2)c(F)c1 1150488702 UXARBBKEOSEXFP-UHFFFAOYSA-N 323.295 2.357 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1nccnc1Cl 1162613219 ZLCFIBCQMMZZMU-UHFFFAOYSA-N 314.732 2.314 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@H]1C 1322250347 ICWXSKRBMPWTAJ-UKRRQHHQSA-N 318.417 2.293 10 10 DECE C[C@H](CN)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914348299 MBMZMOSFFWKSNE-GFCCVEGCSA-N 300.358 2.087 10 10 DECE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ncsc2Br)C1 1912204330 AIPNBLGGFHJAFO-YFKPBYRVSA-N 302.157 2.430 10 10 DECE C[C@H](O)CN(CC(=O)Nc1ccc(N)cc1)Cc1ccccc1 1914617891 SSZGYQSHMIZJJG-AWEZNQCLSA-N 313.401 2.090 10 10 DECE Nc1cc2c(cc1N(Cc1ccccc1)C1COC1)OCCO2 1915727490 HQRRPWVQQNJTQW-UHFFFAOYSA-N 312.369 2.445 10 10 DECE CNc1ccc(C(=O)NCCCSc2nccs2)nc1 1292997206 KGEXLVBCYNGUDV-UHFFFAOYSA-N 308.432 2.492 10 10 DECE COc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1F 1465882788 YKXHLRMKKWFXSA-UHFFFAOYSA-N 305.305 2.451 10 10 DECE COc1ccccc1[C@H](O)C(=O)NCc1cc(C)ccc1O 1470256981 CYAAAUNFSUZQEU-INIZCTEOSA-N 301.342 2.059 10 10 DECE COc1cccc2c1[C@H](C(=O)NCc1c(O)cccc1O)CC2 1647289432 DDIYBURUCKVUFJ-GFCCVEGCSA-N 313.353 2.453 10 10 DECE CC(C)Oc1c[nH]ccc1=NC(=O)/C=C/c1ccc(O)c(O)c1 1648510885 YLBDBLOGSBHGJK-GQCTYLIASA-N 314.341 2.354 10 10 DECE CCOc1cc(C(=O)NCc2ccc3cccnc3c2O)on1 1643284801 LMIGURGCSGAZCI-UHFFFAOYSA-N 313.313 2.257 10 10 DECE CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(C(N)=O)c1 1651656464 FVLKFQBCKDWHFI-UHFFFAOYSA-N 301.302 2.036 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(CCCCN=[N+]=[N-])C1 1962288644 ZIFNANQKNLKCFW-RYUDHWBXSA-N 313.402 2.037 10 10 DECE COCCN1[C@H](C)CN(Cc2cc3c(cc2O)CCC3)C[C@H]1C 155286685 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Cc1cc(O)n2ncc(C(=O)N[C@@H](C)Cc3ccsc3)c2n1 2064815571 AFBLHONNSNGKAP-VIFPVBQESA-N 316.386 2.166 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]3[C@H](O)C[C@H]32)cc1Br 2057957177 DKPWSTOZDBPDEX-MSRLKIHKSA-N 312.207 2.462 10 10 DECE CN(c1ccc(CN)c(Br)c1)[C@H](CCO)C(F)F 2058226533 QJIOQSBWNYSZGT-LLVKDONJSA-N 323.181 2.360 10 10 DECE CN(C[C@@H]1OCC[C@@H]1F)c1ccc(CN)cc1Br 2058681542 XBFFCOQOOUFKJC-AAEUAGOBSA-N 317.202 2.471 10 10 DECE CNCc1ccc(N2CC3(CC[C@H]3O)C2)c(Br)c1 2059146335 MISROJBENQCPGV-CYBMUJFWSA-N 311.223 2.130 10 10 DECE CCn1cc(Br)c(COc2cc(F)cnc2N)n1 2060840987 SXSGDSMDXQVLLM-UHFFFAOYSA-N 315.146 2.361 10 10 DECE CCn1cc(Br)c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)n1 2060859312 ZSZZYTMOGITWPO-ZETCQYMHSA-N 313.159 2.190 10 10 DECE CN(c1ccc(CN)c(Br)c1)[C@H]1CCOC[C@@H]1F 2066652961 PHGAWPADPQJXCH-STQMWFEESA-N 317.202 2.471 10 10 DECE Cc1cccc(CNC(=O)c2c[nH]nc2Br)c1O 2084060234 FFNHBQCFRGHWLD-UHFFFAOYSA-N 310.151 2.116 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(Cl)c1 2114217179 VSCFLALRGARNHK-UWVGGRQHSA-N 304.843 2.057 10 10 DECE Nc1ccc(CCNC(=O)c2c(Cl)ncnc2Cl)cc1 2203203743 NJZMEDQXWFFERN-UHFFFAOYSA-N 311.172 2.338 10 10 DECE C[C@H](CO)CC1CN(c2ccc(CN)c(Br)c2)C1 2222867440 DMKXLNZCURYQEJ-JTQLQIEISA-N 313.239 2.363 10 10 DECE O=C1CC(=Cc2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 2296595229 BQZADESGPXQNEQ-UHFFFAOYSA-N 309.321 2.440 10 10 DECE CCOC(=O)C1CCN(N=Nc2ccc(C(N)=O)cc2)CC1 2330153106 BBHOJTSSKGMAEV-UHFFFAOYSA-N 304.350 2.059 10 10 DECE Cc1ccc(CN(C)c2cnncc2N)c(O)c1Br 2352621007 XIIYRWWUOXTJQD-UHFFFAOYSA-N 323.194 2.472 10 10 DECE CN1CCCc2cc(CNC(=O)/C=C/c3cncc(O)c3)ccc21 179462646 ZWTAKIFTDZDPRU-FNORWQNLSA-N 323.396 2.499 10 10 DECE Oc1ccc(Cl)cc1CN1CCO[C@@H](Cn2cccn2)C1 122222335 GYBDREFKDLLSLE-CQSZACIVSA-N 307.781 2.143 10 10 DECE Cc1cc(O)ccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 186433512 CAFUEYPGKXNFHU-NSHDSACASA-N 301.342 2.473 10 10 DECE Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cc1C 36742788 VWAKCEPDZMOGPR-UHFFFAOYSA-N 306.387 2.070 10 10 DECE COCCN1CCC(CN[C@@H](C)c2cc(OC)ccc2O)CC1 185315821 KHFBBRQGIRJTBY-AWEZNQCLSA-N 322.449 2.410 10 10 DECE CN1CCN(c2ccc(CN)cc2Br)CC1(C)C 212916944 XHKGRZCPNJMPQE-UHFFFAOYSA-N 312.255 2.438 10 10 DECE COC(=O)[C@H](NCc1cccc(Br)c1O)C(C)C 42411914 VGTNGNGTXKSJBY-LLVKDONJSA-N 316.195 2.442 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@](C)(N)CC(=O)O 1952884326 RGNZZNQFETZKCM-OAHLLOKOSA-N 310.350 2.388 10 10 DECE CCO/C(O)=C1/SC(c2ccc(OC)c(OC)c2)=NC1=O 139186085 CJTZXLXWTNXBMD-SDNWHVSQSA-N 309.343 2.487 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](C)N2CCOCC2)c1 248529720 WZSJOYQJPVCBEL-IHRRRGAJSA-N 308.422 2.161 10 10 DECE Cc1c(/C=C\C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C 255659476 XBCVGBRBYCCUBU-VURMDHGXSA-N 316.380 2.263 10 10 DECE Cc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c(O)c1O 363857550 QMKSBSBHYSUSGU-GFCCVEGCSA-N 305.374 2.437 10 10 DECE Cc1cc(C(=O)NCc2cc(Br)ccc2O)cnn1 804736103 NSDPMQQTQCGZNU-UHFFFAOYSA-N 322.162 2.183 10 10 DECE O=C1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F 809710923 CYRKDPFOVFJZAD-UHFFFAOYSA-N 322.714 2.252 10 10 DECE 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CCN1C[C@H]2C[C@H]1CN2c1ccc(CN)cc1Br 2067394290 MAWBTRTWMAEVQB-NWDGAFQWSA-N 310.239 2.191 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1csc(CO)c1 2101573768 OLTBNCGPCWYZKG-UHFFFAOYSA-N 319.791 2.400 10 10 DECE C[C@H](CCS(C)(=O)=O)N(C)c1ccc(CN)c(Cl)c1 2104452588 TZPBXAFFOLFFSQ-SNVBAGLBSA-N 304.843 2.058 10 10 DECE C[C@H]1CC[C@H](C2OCCO2)N(c2ccc(CN)c(F)c2F)C1 2095714097 DQJVRXODPXYHOV-GXFFZTMASA-N 312.360 2.401 10 10 DECE CCCNCc1cnc(SC[C@@H]2CN(C)CCO2)s1 2099110401 DBMBOPQIATZXOS-NSHDSACASA-N 301.481 2.065 10 10 DECE C[C@@H](NCCS(=O)(=O)C(F)F)c1ccc(N(C)C)cc1 2232498164 FZNVTMYQUCCFBJ-SNVBAGLBSA-N 306.378 2.041 10 10 DECE CC[C@@H](C)[C@@H](NCc1c(O)cccc1Br)C(N)=O 2264217478 KITAQVDNQVYQBM-PRHODGIISA-N 315.211 2.144 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)cc1Br 2325324638 BKJVNEMJJRLNKJ-HERUPUMHSA-N 312.207 2.291 10 10 DECE O=[N+]([O-])c1ccc(N2CCN(N=Nc3cccnc3)CC2)nc1 2330249245 LPPIMZAEMFEPHZ-UHFFFAOYSA-N 313.321 2.206 10 10 DECE Cc1ccc(CNC(=O)c2cnc[nH]2)c(O)c1Br 2327586543 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CC(=O)C(=O)COC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 808536787 OLALEXOFOPGZKE-SECBINFHSA-N 310.733 2.250 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccncc1C 819760463 DOAMOWLKXCREBH-UHFFFAOYSA-N 305.374 2.440 10 10 DECE NC(=O)CC[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 727169943 QEJJFPYNDJNOCY-CYBMUJFWSA-N 302.418 2.358 10 10 DECE CCN(CC)c1ccc(CN[C@@H]2CCO[C@@H]2C(=O)OC)cc1F 826967367 OOMQUJCKHIGXOK-ZBFHGGJFSA-N 324.396 2.092 10 10 DECE O=C(O)[C@@H]1OCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 901961112 NOHJWFBBJQOEFL-NVXWUHKLSA-N 318.417 2.256 10 10 DECE CN(C)c1ccc(/C=C\CN(CC(N)=O)C2CCCC2)cc1 835025520 KEQZZXCGGMSOPK-WAYWQWQTSA-N 301.434 2.496 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]2C(F)(F)F)cc1 912078041 AVRCXDOZHFDNFQ-SNVBAGLBSA-N 316.239 2.210 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\C1CC1 745555931 JMOLCHXCCCOSKY-FLIBITNWSA-N 316.401 2.220 10 10 DECE COCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 847303091 PNEAKMOVQGKKRA-UHFFFAOYSA-N 317.433 2.295 10 10 DECE Cc1cc(O)c(CNC[C@@H](C)CN2CCOCC2)c(Cl)c1 840901048 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2.033 10 10 DECE CN(CCN(C)C1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 897418223 FSWUWIMHEZSEPM-UHFFFAOYSA-N 320.414 2.479 10 10 DECE COC(=O)[C@@H](CC1CCOCC1)NCc1cccc(C)c1O 895591624 QMYBJGPXCJIXNO-OAHLLOKOSA-N 307.390 2.149 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1Nc1ccccc1N 1959350484 CYMXRRAROPCSBY-FZMZJTMJSA-N 307.394 2.220 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(Cl)c2O)C1 776208845 LVQCLORHKMRENG-RYUDHWBXSA-N 317.838 2.491 10 10 DECE CN(CCC(=O)NCc1cc(O)ccc1O)C1CCCCC1 1303225520 KGOKGOUEBKRXJI-UHFFFAOYSA-N 306.406 2.369 10 10 DECE COc1cccc([C@H](O)C(=O)NCc2cccc(Cl)c2O)c1 1305085431 YXVFYCXEKJDWKJ-HNNXBMFYSA-N 321.760 2.404 10 10 DECE O=C1C[C@H](C(=O)NCc2c(O)cccc2F)c2ccccc2N1 1178413023 KUWXXVVYQXXMFF-NSHDSACASA-N 314.316 2.274 10 10 DECE CC[C@H](F)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1322093363 GJUCLMQRFUBARN-JQWIXIFHSA-N 323.372 2.305 10 10 DECE CO[C@H](CNCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 1333308788 ZGWODQVDTYTAMB-FUHWJXTLSA-N 304.434 2.428 10 10 DECE COC12CCC(C(=O)NCc3cc(C)ccc3O)(CC1)C(=O)C2 1350111577 MXAFYQPEFQRJFQ-UHFFFAOYSA-N 317.385 2.235 10 10 DECE COc1cccc(OC)c1C(=O)NCc1ccc(O)cc1O 1451765675 GYLJZEKKGMOSTL-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2c[nH]nc2c1 1467839891 GOVIHCGLCAHEAF-UHFFFAOYSA-N 317.345 2.079 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)C12CCCN1CCC2 1530833108 DMMFACUUAVYUDT-UHFFFAOYSA-N 301.434 2.306 10 10 DECE CCO[C@H]1[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)[C@H]1C 1566008135 PJXFDEDLTTUYLM-XFBWCDHKSA-N 304.390 2.149 10 10 DECE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCOC1 1566749621 HMKURJKDVJGNKW-PWSUYJOCSA-N 304.350 2.394 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2O)cc([N+](=O)[O-])c1 1652623007 MAKWDNXFKLTGLU-UHFFFAOYSA-N 302.286 2.244 10 10 DECE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](N)c1ccccc1O 1936987192 PWPMNJQQMYHLMN-UMVBOHGHSA-N 322.405 2.274 10 10 DECE Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1C(=O)N(C)C 160515352 LXBIUBPQZBUYBQ-UHFFFAOYSA-N 311.385 2.460 10 10 DECE CN[C@@H](C)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 168590941 HCJYNMALSWUCEI-WCQYABFASA-N 307.825 2.431 10 10 DECE CC(C)(C(=O)O)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1858594263 RUOXXWAOSIPABC-JXMROGBWSA-N 323.395 2.457 10 10 DECE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccc(C(N)=O)cc2)C1 1860481150 QEDPIHIFAWQKOX-PFFGMESJSA-N 304.350 2.059 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1O 897675786 CAGVVBWZNXSKGU-RDDDGLTNSA-N 304.159 2.106 10 10 DECE [N-]=[N+]=NCCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1982247827 MKAPTAICKJSEIB-NAKRPEOUSA-N 317.315 2.028 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1[C@H](N)c1ccccc1O 1982963614 IWHMIYTWVYAOJS-UMVBOHGHSA-N 322.405 2.322 10 10 DECE CN(Cc1cc(N)ccc1O)CC1(NC(=O)OC(C)(C)C)CC1 1984017089 VLASRVUGCCXSAQ-UHFFFAOYSA-N 321.421 2.464 10 10 DECE NCc1ccc(N2C[C@H](O)[C@H](C3CC3)C2)cc1Br 2030228448 YAAYMGIRCIOSJC-JSGCOSHPSA-N 311.223 2.115 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC=CC3)c(Br)cc21 311166312 NXSHYLJOBCYDFW-GFCCVEGCSA-N 308.179 2.038 10 10 DECE CS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2O)c1Cl 2070246080 SFXSOHYFKZZRNR-UHFFFAOYSA-N 321.185 2.347 10 10 DECE CCc1nn([C@@H](C)c2cc(C)c(C)cc2O)c(N)c1C(N)=O 2079943677 FVXYCXAJENAZHH-JTQLQIEISA-N 302.378 2.058 10 10 DECE CCS(=O)(=O)C[C@H](C)N(C)c1ccc([C@H](C)O)cc1F 2170553319 DNUXHPPHDXWQKV-QWRGUYRKSA-N 303.399 2.138 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H]3[C@@H]2C[C@H]3O)cc1Br 2057977982 KGFQGSMCKRGUFW-XBEUXYKBSA-N 311.223 2.428 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@@]3(CO)C2)cc1Br 2078150631 HBRIHJKQAQXZGU-RISCZKNCSA-N 312.207 2.150 10 10 DECE NCc1ccc(N2CC[C@]3(O)C[C@H]3C2)c(F)c1Br 2254026035 VUNAMDUIQUBBBU-ZANVPECISA-N 315.186 2.008 10 10 DECE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccncc2)SC1=S 2293205529 ZTTOWVGXKQFKJJ-SECBINFHSA-N 308.384 2.146 10 10 DECE CC[C@@H](CO)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2323805469 JNFASWKAVHQAHS-JTQLQIEISA-N 309.412 2.364 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(Br)c1 2325325490 JBWXLSWMPIIALH-HERUPUMHSA-N 312.207 2.291 10 10 DECE Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N3)c(O)c1Br 2327788362 CNUJSMQNXITRTN-TXEJJXNPSA-N 311.223 2.399 10 10 DECE Cc1ccc(CN[C@H]2[C@@H]3CNC[C@H]2C3)c(O)c1Br 2327788672 FXWBKUUOPQOOSE-PTEHBNRSSA-N 311.223 2.161 10 10 DECE [N-]=[N+]=NCCCNS(=O)(=O)c1ccccc1Br 42013224 FVAGMSMUSFGBOQ-UHFFFAOYSA-N 319.184 2.428 10 10 DECE CC[C@@H](C)[C@@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305089173 WABHHKUCBLOVCK-RISCZKNCSA-N 315.373 2.387 10 10 DECE CN(C)Cc1ccc(CNC(=O)c2cccc(O)c2O)cc1 186792918 DTHWYODWRVBNCO-UHFFFAOYSA-N 300.358 2.089 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O 127839399 GHLPEVACLNKHRO-OAHLLOKOSA-N 322.474 2.296 10 10 DECE CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1CC 180087806 JKVCHJKITZOMFB-INIZCTEOSA-N 322.449 2.334 10 10 DECE O=C(c1cccc(O)c1O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 193169768 DFEDRIBWYOXRMI-AAEUAGOBSA-N 319.382 2.007 10 10 DECE c1cc(N2CCCC2)ccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 378899834 BPHSVCWXEJMVAI-RTBURBONSA-N 315.461 2.240 10 10 DECE Cc1cncc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 89465627 OVJKTLSSNVTWDC-MOEXGYKKSA-N 321.380 2.409 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H](CO)C2)cc1F 299022148 STOZIANVJKQVEM-KBPBESRZSA-N 323.412 2.242 10 10 DECE C[C@@H](N)CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 829003556 PEKLRWBBUUEJCZ-HIFRSBDPSA-N 306.406 2.027 10 10 DECE CO[C@]1(C)C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1(C)C 588405857 XNBWDDUHMKHFJG-HFNVYPAOSA-N 305.374 2.431 10 10 DECE C[C@@H]1C[C@H](CO)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1 844218156 NMWNJTAOSNJVFS-CLZWFORCSA-N 320.345 2.147 10 10 DECE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1ccccc1O 743657263 PENQDKVNSOXKHP-NSHDSACASA-N 316.405 2.173 10 10 DECE CC(C)Cn1ccnc1CNC(=O)NCCc1ccc(N)cc1 841835339 XKGLUBXUKFNIGN-UHFFFAOYSA-N 315.421 2.163 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@](O)(c2cccc(O)c2O)C1 687745480 SDBGARNBNZTVHI-MRXNPFEDSA-N 309.362 2.316 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)OCC3CC3)C2)cc1 855231012 RUBCHWCYYUAQBP-HIFRSBDPSA-N 318.417 2.205 10 10 DECE CCON(C)C(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O 850338567 JBZJOJHOQZVWOO-UHFFFAOYSA-N 324.421 2.198 10 10 DECE CN(C/C=C\C(=O)NCc1c(O)cccc1F)CC(F)(F)F 928705359 HNFNNSQWXHTMIH-UTCJRWHESA-N 320.286 2.198 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@H](O)C23CCC3)c1O 850388061 GMPGTHSLBZVFNY-RYUDHWBXSA-N 312.753 2.347 10 10 DECE COCCN(CCF)c1ccc(CO)c(Br)c1 697303904 BUFXYYWVOPYGLC-UHFFFAOYSA-N 306.175 2.364 10 10 DECE N=[N+]=CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 888084929 REERGODLVVAECG-MRXNPFEDSA-O 324.360 2.403 10 10 DECE C[C@@]12COC[C@@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 898785201 XNPMSPMVYHBERT-MGPLVRAMSA-N 319.382 2.421 10 10 DECE COc1ccc(N2CC[C@H](CNC(=N)N[C@H](C)C3CC3)C2)cc1 899272711 NJGHLRZBTARBJN-ZIAGYGMSSA-N 316.449 2.434 10 10 DECE CNCc1ccc(N2C[C@H]3CN(C)C[C@@H]3C2)c(Br)c1 706993767 NXFIRGLLGUMYGU-CHWSQXEVSA-N 324.266 2.166 10 10 DECE CCCOc1ccnc(CC(=O)N[C@H](C)c2ccccc2O)n1 1302532675 OKKGOYUCTXCBAI-GFCCVEGCSA-N 315.373 2.391 10 10 DECE CCc1[nH]nc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] 1171722937 GYJZOPRXFNPTKQ-MRVPVSSYSA-N 304.306 2.077 10 10 DECE O=C(NCc1c(O)cccc1F)c1cnn(-c2ccccc2)n1 1178413068 MWLFRCNLIMDOEJ-UHFFFAOYSA-N 312.304 2.042 10 10 DECE [N-]=[N+]=NCC1CCN(S(=O)(=O)CCC(F)(F)F)CC1 2128949302 SDZGWDIVYWHLHI-UHFFFAOYSA-N 300.306 2.291 10 10 DECE O=C1Nc2cc(N(CCCO)Cc3ccccc3)ccc2[C@H]1O 1914641584 GNKASOFZZIQROA-QGZVFWFLSA-N 312.369 2.061 10 10 DECE COc1cc(N2CCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OC 1458049630 PDCRBYNOMSOWLF-UHFFFAOYSA-N 323.393 2.390 10 10 DECE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 1465958059 DUEQGKNFODEFLW-ZIAGYGMSSA-N 317.385 2.086 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cnn2cccnc12 1628667653 ZGLKQDYCKQUALE-UHFFFAOYSA-N 302.721 2.018 10 10 DECE Cc1nc(O)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 1631437929 HVCHXPUQVLLLLM-UHFFFAOYSA-N 303.337 2.231 10 10 DECE CN(C)[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1 1637125971 JMZCYFPJMNLACM-INIZCTEOSA-N 314.385 2.407 10 10 DECE CN1C(=O)Cc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc21 1654543059 NHLDUQJKSUCKTH-UHFFFAOYSA-N 316.288 2.008 10 10 DECE COCCN1[C@H](C)CN(Cc2cc(C)cc(OC)c2O)C[C@H]1C 164600256 GCNXARHHJXSRCJ-HUUCEWRRSA-N 322.449 2.250 10 10 DECE CCCOC(=O)c1cccc(/N=N/N2CCN(C(C)=O)CC2)c1 1860486455 FMUFIBWYEFTNPV-ISLYRVAYSA-N 318.377 2.416 10 10 DECE CCN(Cc1ccccc1)C(=O)CCN1C(=O)CSC1=S 1865765669 HDUDHWMVGPIVGE-UHFFFAOYSA-N 322.455 2.286 10 10 DECE CC1(C)CN(c2ccc(CO)cc2Br)[C@H]1CO 1944094277 JGSIATIPKZYNFM-LBPRGKRZSA-N 300.196 2.149 10 10 DECE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C(=O)O)CO1 1964733943 ZPWVRWGWODVENK-HQJQHLMTSA-N 320.172 2.373 10 10 DECE C[C@@H](NCc1c(O)cccc1Cl)C1CCS(=O)(=O)CC1 2146107821 IWCYJLXOZNQRBY-SNVBAGLBSA-N 317.838 2.349 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1985094235 LYYBOYSQDGPKES-FIXISWKDSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1985103597 XUAXOAMJLRITJW-MEBBXXQBSA-N 321.381 2.155 10 10 DECE C[C@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 380438711 LOYIVTVHBSJBTL-CMPLNLGQSA-N 316.854 2.373 10 10 DECE CCN(c1ccc(CNC)cc1Cl)[C@H]1CCS(=O)(=O)C1 387278530 UZFSSCCZCQHXSQ-LBPRGKRZSA-N 316.854 2.073 10 10 DECE CN(CCC(=O)N(C)C)Cc1cc(Br)ccc1O 1203645921 WNIFAKNNKUQGEC-UHFFFAOYSA-N 315.211 2.065 10 10 DECE O=C(N[C@H]1CS[C@H](C(F)(F)F)C1)c1cccc(O)c1O 2189225439 ONUBELUCUSFING-MUWHJKNJSA-N 307.293 2.264 10 10 DECE C[C@H](N)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)cc1Br 2067428623 RBXJGQCNDGZCEN-DLOVCJGASA-N 310.239 2.362 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@@H]2CCN[C@H]2C1 2068580159 ZENVPKNKIDYYBF-UFBFGSQYSA-N 315.186 2.088 10 10 DECE Cn1nc(Br)c(CN[C@H]2CCc3cccc(O)c32)n1 2226971011 YAKBPQGOYUPHDH-VIFPVBQESA-N 323.194 2.060 10 10 DECE COc1n[nH]cc1CNCc1cc(Br)ccc1O 2256600646 PNJAVTZMVXJAAS-UHFFFAOYSA-N 312.167 2.176 10 10 DECE CCN1C(=O)C(=Cc2cccc(OCC(=O)O)c2)SC1=S 2293024262 GOQDEJWEFJREDF-UHFFFAOYSA-N 323.395 2.371 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CC(C)(C)[C@H]2C(=O)O)s1 2284494070 IYKRGIQDZUNZMR-RKDXNWHRSA-N 314.432 2.228 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311862326 JDXSJFYUNHQPAY-CBRVECNMSA-N 312.207 2.319 10 10 DECE Cc1ccc(CN(C)C(=O)C[C@@H](C)O)c(O)c1Br 2327598310 DECLUVANLUSUBC-SECBINFHSA-N 316.195 2.192 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H]2[C@@H]3CO)c(O)c1Br 2327802352 YJVRYTNYBDOXIT-TUAOUCFPSA-N 312.207 2.276 10 10 DECE CCc1onc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 186408466 IBCDZXOSULXFNF-VIFPVBQESA-N 304.346 2.318 10 10 DECE C[C@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc(F)ccc1O 186069722 WTHDOSTVNPRZLA-WPRPVWTQSA-N 320.286 2.345 10 10 DECE CN(Nc1nc2cc(N)ccc2s1)S(=O)(=O)C1CCC1 2365323154 WYBQZLPTTWDYPI-UHFFFAOYSA-N 312.420 2.020 10 10 DECE Nc1ccc(N2CCN(C(=O)CCC(F)(F)F)CC2)cc1 88832441 RNNIDDKFFFUDLP-UHFFFAOYSA-N 301.312 2.260 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H]1c1cc(O)c(O)c(O)c1 1952608532 QELFOWCSPXDVPU-MFKMUULPSA-N 324.377 2.203 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1F 247653420 PKQPDYGLNYGUJE-UXIGCNINSA-N 307.369 2.011 10 10 DECE Cc1cc(Cl)cc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O 274182278 YGYMDPNUJXJQJC-CYBMUJFWSA-N 317.838 2.363 10 10 DECE Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)ccc1N(C)C 292839165 PIXWZHMOJODJRR-UHFFFAOYSA-N 310.463 2.070 10 10 DECE C[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1O 711678910 FOPBPZYHTUTYBT-CPCISQLKSA-N 324.229 2.222 10 10 DECE Oc1c(Br)cccc1CN1CC[C@@](O)(C(F)F)C1 824726612 PQJQXSQYFOOWMV-LBPRGKRZSA-N 322.149 2.357 10 10 DECE Cc1cc(CC(=O)NCCOC(=N)O)c(C)n1-c1ccccc1 831651622 HFRRHRRPOGNTPY-UHFFFAOYSA-N 315.373 2.262 10 10 DECE COc1cc(CNC(=O)c2cc(O)cs2)cc(OC)c1O 732278535 BIHYQFGOMRZKAP-UHFFFAOYSA-N 309.343 2.107 10 10 DECE C[C@@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1895874813 CICJJBOEMQMTRU-ZETOZRRWSA-N 323.397 2.449 10 10 DECE Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccccn1 918394412 GYBLEAZGJBXYRN-OAHLLOKOSA-N 312.417 2.313 10 10 DECE COc1ccc(O)c(CNC(=O)C2(C(=O)O)CC3(CCC3)C2)c1 911386435 CPLDKMJIKNYBJZ-UHFFFAOYSA-N 319.357 2.052 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)no3)C2)cc1 855228406 BTNCGSHPEZXHEI-LBPRGKRZSA-N 301.346 2.000 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)/C=C\[C@@H]3CCCO3)C2)cc1 855225775 QEJQGCKZMKKBLN-LXQCCHTASA-N 316.401 2.125 10 10 DECE C[C@@H](NCc1cn(C)nn1)c1ccc(Br)cc1O 757653727 BMKSFHQYLPXVHK-MRVPVSSYSA-N 311.183 2.134 10 10 DECE COc1cc(CN2CCN(C(=O)C(C)C)CC2)c(O)cc1C 768438005 NLWOGCUMRDHMHO-UHFFFAOYSA-N 306.406 2.009 10 10 DECE COc1cccc(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c1O 769507545 KPLLSCLRMJVXRU-UHFFFAOYSA-N 324.336 2.172 10 10 DECE COCC(C)(C)CCN1C(=O)CN(Cc2ccccc2O)C1=O 871905579 ZLWSAHZHYBBQJB-UHFFFAOYSA-N 320.389 2.219 10 10 DECE Cc1ccc(C(=O)OCc2nnc(C3CCC3)n2C)c(O)c1O 783141013 FUZVYOZIWIVXRK-UHFFFAOYSA-N 317.345 2.159 10 10 DECE C[C@H](O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 898440392 UGRAFUDUXXGIII-QMMMGPOBSA-N 307.371 2.298 10 10 DECE COC(=O)c1c(CN(CCO)C2CC2)c2cc(F)ccc2n1C 893944194 USTIUJBPPMRRAM-UHFFFAOYSA-N 320.364 2.061 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3CN(C)C[C@@H]3C2)c(Br)c1 706967148 ULYGULLSUHGEON-WCFLWFBJSA-N 324.266 2.467 10 10 DECE COc1c(F)cc(C(=O)NCc2ccccc2O)c(N)c1F 1150537188 XXXBBMXPZCSYDM-UHFFFAOYSA-N 308.284 2.191 10 10 DECE CS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)nc1 1307229632 KXXNPJWVNUJXAJ-UHFFFAOYSA-N 312.778 2.456 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@H]1Cc2cccnc2C1 1162612947 SOUDYZPIWHUPOB-HNNXBMFYSA-N 319.364 2.367 10 10 DECE CC(C)CN1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1446515393 ITJQEGTUVSFDOH-OAHLLOKOSA-N 320.433 2.125 10 10 DECE C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1O 1454817286 JMYJBKVSOMKEDR-LBPRGKRZSA-N 308.341 2.464 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cc(=O)n(C)c3ccccc23)c1 1633282415 ICHKNQZGTQYSEF-UHFFFAOYSA-N 322.364 2.483 10 10 DECE COC(=O)c1cnc(SCC(=O)Nc2ccccn2)s1 1641152212 RUXVMSGWHKABAT-UHFFFAOYSA-N 309.372 2.056 10 10 DECE COC(=O)CCNc1cccc2c1C(=O)c1ccccc1C2=O 5125689 QUJBQQQFVOPSDL-UHFFFAOYSA-N 309.321 2.437 10 10 DECE C[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(O)cc1 1865876213 XEUMFRABLSKOGP-SNVBAGLBSA-N 317.341 2.433 10 10 DECE CCOC(=O)C[C@@](C)(N)c1cccc(Br)c1O 1951967341 HLDQCEVQQQZUJV-GFCCVEGCSA-N 302.168 2.282 10 10 DECE CC(C)(C)OC(=O)N1CCCN[C@@H](Cc2ccc(O)c(O)c2)C1 1952072519 DXTBRRMJCJFILF-ZDUSSCGKSA-N 322.405 2.239 10 10 DECE Oc1ccc(Br)cc1CNCC[C@H]1COCCO1 1967717815 ROIKCNFLVAWGRM-LBPRGKRZSA-N 316.195 2.050 10 10 DECE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)c1cncs1 2149092398 HHUDKXYDDAACIJ-UHFFFAOYSA-N 311.432 2.325 10 10 DECE CC=CC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1983620821 XWOXQVUGTISEID-AVGNSLFASA-N 324.421 2.112 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]21 2151233877 ZCEDXYMAIOYVOY-BREBYQMCSA-N 315.822 2.226 10 10 DECE C[C@H](O)c1ccc(N2C[C@H](O)C3(CC3)C2)cc1Br 2032398580 VMEBCYCEWKEPRK-ZANVPECISA-N 312.207 2.464 10 10 DECE CNCc1ccc(N2C[C@H](CO)C[C@@H]2C)c(Br)c1 2038876106 YMCSAEHQUNWGPM-CMPLNLGQSA-N 313.239 2.376 10 10 DECE CC[C@@H](C(=O)NCc1c(O)cccc1O)C1(O)CCCCC1 2062746041 IUZZAKRQZRSCQZ-ZDUSSCGKSA-N 307.390 2.435 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1cc(Cl)c(CN)cc1F 2177381661 PPGSJAVDWZKJMD-IUCAKERBSA-N 322.833 2.196 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H](C)F 2177551898 IADONLLSTQJKLF-GFCCVEGCSA-N 302.415 2.262 10 10 DECE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2174354014 DBFPXYPNJXYQQQ-IUCAKERBSA-N 308.354 2.288 10 10 DECE Cc1c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)nn(C)c1Br 2049246960 JYJMWTLMZXOSSA-ZETCQYMHSA-N 313.159 2.016 10 10 DECE NCc1ccc(N2CC[C@H](O)[C@H]3CC[C@H]32)cc1Br 2070014070 GEMFGAXWIIQZQV-YUTCNCBUSA-N 311.223 2.257 10 10 DECE Cn1cnc(CCNCCc2ccc(N)cc2)c1Br 2088307309 XKQBXDIHWKMHSQ-UHFFFAOYSA-N 323.238 2.140 10 10 DECE Cn1cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)n1 2218739673 GQFKVDBGWIGQHC-YUMQZZPRSA-N 313.159 2.144 10 10 DECE CSc1ncc(CNC(=O)[C@]23CCCC[C@H]2CNC3)s1 2284642065 WOVRBNNIWBCECZ-HZMBPMFUSA-N 311.476 2.261 10 10 DECE COc1cc(OC)cc(N(C)C(=O)C=Cc2cnn(C)c2C)c1 2311122613 YSJUHDPANDEQMB-UHFFFAOYSA-N 315.373 2.422 10 10 DECE CC(=O)c1cn(Cc2ccc(C)c(Br)c2O)nn1 2327601870 CGJMOXAHGJWVPK-UHFFFAOYSA-N 310.151 2.306 10 10 DECE CN[C@H](C)c1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2342106208 QNTLJZPMCQQBBV-BBBLOLIVSA-N 320.505 2.481 10 10 DECE COC[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 103383631 ZTCUSRDAEHWVCI-AWEZNQCLSA-N 306.406 2.016 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1ccc(O)cc1O 1952211332 BJRIJSLDXUEWIK-CYBMUJFWSA-N 308.378 2.369 10 10 DECE Cc1ccc([C@H](C)NC[C@@H](c2cnn(C)c2)N(C)C)c(O)c1 185485704 DBJXXQPIDVWBHI-BBRMVZONSA-N 302.422 2.388 10 10 DECE COC(=O)[C@@H]1CCN[C@H](c2c(O)cccc2Br)C1 1952581244 NADAMHFVPRNBIN-SCZZXKLOSA-N 314.179 2.368 10 10 DECE CCN(C1CCCC1)S(=O)(=O)CCOc1ccc(N)cc1 70490621 NAJXZGUGCULXKT-UHFFFAOYSA-N 312.435 2.242 10 10 DECE CCc1cccc2c(/C=C3/C(=O)NC(=O)N(CC)C3=O)c[nH]c12 219280320 IAFNHEKKUYSXPY-JYRVWZFOSA-N 311.341 2.212 10 10 DECE N[C@@H](CO)c1cc(Br)cc(C(F)(F)F)c1O 95714305 RYCYUZQIDSFLQO-ZETCQYMHSA-N 300.074 2.166 10 10 DECE O=C(O)c1cc(Cl)c2nnc(-c3cccc(O)c3O)n2c1 97883836 DAQPYJJKFSIGGU-UHFFFAOYSA-N 305.677 2.159 10 10 DECE C[C@H](N[C@H](C)[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1O 249046449 FEDLMSHRYQFHPY-WOPDTQHZSA-N 314.376 2.430 10 10 DECE C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccnn1C 817431551 WXZFWGMFQUSHNX-NSHDSACASA-N 304.369 2.045 10 10 DECE COc1ccc(N2CCN(Cc3snnc3C)CC2)cc1 821385310 AKCWFOGFWUYIFZ-UHFFFAOYSA-N 304.419 2.177 10 10 DECE C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C(N)=O)C1 835047082 XLKWZVNVMLOEML-XUOJHOASSA-N 301.434 2.352 10 10 DECE COC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 839468162 QVVXDKXWSOWLFY-LSDHHAIUSA-N 318.417 2.300 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cc[nH]n1 734687962 ZVKFHRPCTDBZIZ-UHFFFAOYSA-N 301.394 2.126 10 10 DECE O=C(NCc1ccccc1O)N[C@H](C1CC1)[C@@H]1CCCOC1 915525747 QSCAXDBXUBKSKL-GDBMZVCRSA-N 304.390 2.397 10 10 DECE CN(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 913870793 YXXDPROXAZJXJJ-CYBMUJFWSA-N 321.352 2.226 10 10 DECE COc1ccc(CNC(=O)N[C@H](C)c2cscn2)c(O)c1 852514128 ASPQWEZSNGTOTQ-SECBINFHSA-N 307.375 2.418 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCC[C@@](O)(C3CC3)C2)cc1 853245191 VLIYMLVYGGTQIB-SFHVURJKSA-N 317.433 2.199 10 10 DECE CC[C@@H]1CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852449835 XDZPFMOMQNEGDO-ZIAGYGMSSA-N 303.406 2.468 10 10 DECE COC[C@@H](C)OC(=O)NC1CCN(c2ccc(OC)cc2)CC1 866710366 PSCGDHFKVKNGTE-CYBMUJFWSA-N 322.405 2.425 10 10 DECE CCO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)C1CC1 863406572 HLKNLMRPIBNACK-ZDUSSCGKSA-N 303.355 2.088 10 10 DECE CN(C)c1cc(F)c(CN2CC[C@@H](Cn3ccnn3)C2)cc1F 862407518 HEIQGFLRSAXWKU-GFCCVEGCSA-N 321.375 2.144 10 10 DECE C[C@@H]1CC[C@@H](NC(=O)NCCCSc2nccs2)CN1 861610257 ZLSFUQUBYFJADL-GHMZBOCLSA-N 314.480 2.065 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(=O)cc[nH]1 1136025723 WNBFWYGYOBUKEA-UHFFFAOYSA-N 311.385 2.247 10 10 DECE CC(=O)c1cc(F)cc(CN(C)Cc2cnn(C)c2C)c1O 790445460 SWQNRLODVQLDJV-UHFFFAOYSA-N 305.353 2.408 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])c[nH]1 1157102861 QDNLMGLYGULNRF-UHFFFAOYSA-N 310.306 2.044 10 10 DECE COCCC(=O)NC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1264413020 ILUDPRDGJXVEAF-WKILWMFISA-N 320.433 2.025 10 10 DECE CNCc1ccc(N(C)[C@@H](C)CCO)c(Br)c1 1916510017 BQJNEOUZIHCSMV-JTQLQIEISA-N 301.228 2.376 10 10 DECE COC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1292450691 KPLYVVSEHKLRBV-UHFFFAOYSA-N 315.325 2.374 10 10 DECE CC(C)c1nc([C@H](CO)NC(=O)c2cccc(O)c2O)cs1 1452570862 WWUXHZFQJQROHK-JTQLQIEISA-N 322.386 2.141 10 10 DECE CCOC(=O)c1cnc(C)c(NC(=O)c2cccc(O)c2O)c1 1545889241 NZBVQFDNBDGRFA-UHFFFAOYSA-N 316.313 2.230 10 10 DECE Cc1cc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)n[nH]1 1618593209 HMFFNLMXZHMXTB-UHFFFAOYSA-N 314.389 2.142 10 10 DECE COc1ccc(CNC(=O)c2cccc3oc(O)nc23)c(O)c1 1626079614 IIJVCDHEUJNQJA-UHFFFAOYSA-N 314.297 2.178 10 10 DECE CC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1O 1558454689 JUOHIGLDTNMCGB-UHFFFAOYSA-N 303.289 2.370 10 10 DECE COc1ccc(/C=C\C(=O)NCc2ccc(O)cc2O)cc1O 1626849081 JQDGUSKLMVTTES-CLTKARDFSA-N 315.325 2.142 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cccn1Cc1ccncc1 1626838278 VANFQVWBSVMABZ-UHFFFAOYSA-N 323.352 2.273 10 10 DECE C[C@H]1C[C@H](CCNC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1639351856 ZKQKQGFZQAJJEB-DABQJJPHSA-N 307.390 2.350 10 10 DECE COC(OC)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 1634993707 WRAKXXWVEZMLIJ-CQSZACIVSA-N 317.341 2.188 10 10 DECE Cn1cc(-c2ccc(C(=O)NCc3ccc(O)cc3O)o2)cn1 1630301904 MMWIRXSIXKCNBA-UHFFFAOYSA-N 313.313 2.021 10 10 DECE CNc1nccc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] 1635803616 HMVHCPRCSFXHFW-VIFPVBQESA-N 316.317 2.228 10 10 DECE CC1(C)OC[C@H](/C=C/C(=O)NCc2cccc(Cl)c2O)O1 1653566791 BLFAPLOSVWSTQG-MLRMMBSGSA-N 311.765 2.370 10 10 DECE COC1(CCNC(=O)OC(C)(C)C)CN(CCCN=[N+]=[N-])C1 1962302619 AVWCMQKYIYEDTO-UHFFFAOYSA-N 313.402 2.302 10 10 DECE CO[C@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964719778 AUCJSNMGFJKIOB-ONGXEEELSA-N 320.172 2.373 10 10 DECE C[C@H]1C[C@H](CO)CN1c1ccc(CO)cc1Br 1950537661 SZQVVQYBHIMHQY-ONGXEEELSA-N 300.196 2.149 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(C)(C)O 1951421946 HJGUVWWVVDCSQW-ZDUSSCGKSA-N 311.378 2.305 10 10 DECE CC(C)(C)OC(=O)N1CC(ONCc2c(O)cccc2F)C1 1975282234 GPBUSDTXVAKCBB-UHFFFAOYSA-N 312.341 2.172 10 10 DECE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(N)cc2)C1 1977963877 YVXWBHYRXZWSBK-QGZVFWFLSA-N 321.421 2.125 10 10 DECE COc1ccc(CNOC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 1984438387 AOLRRCXKTDGRIA-UHFFFAOYSA-N 324.377 2.041 10 10 DECE C[C@@]1(CCO)CCN1c1ccc(CO)cc1Br 2025217888 WPZFHNAVERJESD-ZDUSSCGKSA-N 300.196 2.293 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@@]2(CO)C3)cc1Br 2029251970 OBWMPUFSAHUURR-HZMBPMFUSA-N 312.207 2.293 10 10 DECE C[C@@H](c1cscn1)N(C)S(=O)(=O)Cc1ccc(N)cc1 2155707252 IGEVHMGLBDEYMU-JTQLQIEISA-N 311.432 2.248 10 10 DECE CCN(C(=O)c1ncncc1Br)c1ccc(N)cc1 311362824 IENGIPFHVWRXII-UHFFFAOYSA-N 321.178 2.488 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)Cc1cscc1Cl 2176864322 BGASIXFMEOGYBQ-UHFFFAOYSA-N 309.822 2.471 10 10 DECE C[C@@H](C(N)=O)N(C)[C@H](C)c1cc(Br)ccc1O 711139566 HSRKZTXFKDVPFS-SFYZADRCSA-N 301.184 2.021 10 10 DECE OCc1ccc(N2C[C@@H]3C[C@H](CO)[C@@H]3C2)cc1Br 2053983422 CQEVAVBBRNEDPK-DMDPSCGWSA-N 312.207 2.006 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1c(N)cccc1Cl 2191764377 UIWAMDXTRJPMHK-UHFFFAOYSA-N 311.794 2.330 10 10 DECE C[C@H]1CC[C@H](C2OCCO2)N(CCOc2ccc(N)cc2)C1 2095717206 WPVHYTSEZMZPPL-XJKSGUPXSA-N 306.406 2.121 10 10 DECE COc1ccc(N(C)[C@H](C)CO)c(OC)c1Br 2214058388 WXPUVGRNOULSMB-MRVPVSSYSA-N 304.184 2.283 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C1 2209254651 JTPKOWXSDHWULW-GFCCVEGCSA-N 313.361 2.447 10 10 DECE COCCNCc1cnc(SC[C@H]2CC[C@H]2OC)s1 2230524086 OBUHKBOFTZSCMU-ZYHUDNBSSA-N 302.465 2.396 10 10 DECE OCC[C@@H]1CSCCN1c1ccc2c(c1)OC(F)(F)O2 2235060757 DWQAKLWJJSJWKV-SNVBAGLBSA-N 303.330 2.312 10 10 DECE CC[C@@](C)(CNC(=O)NCc1cnc(SC)s1)C(=O)O 2284545323 XYNXJVIAJXKVJW-LBPRGKRZSA-N 317.436 2.165 10 10 DECE Cn1nc(Br)c(NCc2ccc(F)cc2O)n1 2303356659 LFNBMBINZMSDAO-UHFFFAOYSA-N 301.119 2.034 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@@H]4C3)c(Br)cc21 2329268320 BMTNKWQGLJUABF-OTPXZMOZSA-N 322.206 2.247 10 10 DECE CSc1ncc(CN2C(=O)C=C(C(F)(F)F)C2=O)s1 2335568924 RSONUSCTPIFXFT-UHFFFAOYSA-N 308.306 2.223 10 10 DECE O=C(O)[C@]1(Sc2nccs2)COC2(CCOCC2)C1 2351873754 BMGJIIUQQYSUEZ-GFCCVEGCSA-N 301.389 2.028 10 10 DECE COCCC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 183709399 CDHQUZUTKSEHHD-UHFFFAOYSA-N 320.433 2.407 10 10 DECE O=S1CCC(NCc2cc(Br)ccc2O)CC1 236615256 OEYIPZKMHYFPPN-UHFFFAOYSA-N 318.236 2.155 10 10 DECE COc1ccc(CN2CCN(c3cccs3)C(=O)C2)c(O)c1 185670009 QCIWLAIXSREBHJ-UHFFFAOYSA-N 318.398 2.311 10 10 DECE CC(C)N(CC(F)(F)F)c1cc2c(cc1N)OCC(=O)N2 42741517 SNYKZGGAYVDXAT-UHFFFAOYSA-N 303.284 2.377 10 10 DECE Cc1ccc(S(C)(=O)=O)cc1NCc1cccc(O)c1O 41117013 VQAMIROUCBPMBC-UHFFFAOYSA-N 307.371 2.422 10 10 DECE CCN(CC)c1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)OC)cc1 245788912 VTMQNOMCZXEFOG-IRXDYDNUSA-N 320.433 2.295 10 10 DECE CCCCNC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 243263245 KUHRBTOZEYYKBG-UHFFFAOYSA-N 319.405 2.090 10 10 DECE c1nc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)no1 371382450 IWRYACVDPTUECV-INIZCTEOSA-N 314.389 2.243 10 10 DECE CP(C)(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 2164506660 IPWCJBKBJCUBRQ-ZDUSSCGKSA-N 316.363 2.143 10 10 DECE CC[C@H](CO)N1CCN(Cc2ccc3ccccc3c2O)CC1 816516914 WUJONYKBTNVFEL-QGZVFWFLSA-N 314.429 2.434 10 10 DECE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[S@](=O)C1 835048363 HMBPBIGYIGDQPP-CYUBDGMSSA-N 306.475 2.466 10 10 DECE COC(=O)CC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1 902895175 VUSDORRCFGQYIJ-UHFFFAOYSA-N 321.421 2.141 10 10 DECE CCSc1ccccc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 737879879 GPQRMVMVOPHUMZ-NSHDSACASA-N 313.444 2.058 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)OCCO[C@@H]1CC1(F)F 849744800 GBAHMXOUGWDXHU-FXMSTWTQSA-N 300.257 2.078 10 10 DECE COc1cccc(O)c1CNC[C@]1(CO)CCc2ccccc21 846010905 KDRRADYNVOGBLT-IBGZPJMESA-N 313.397 2.367 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCC2(N)CCCCCC2)c1O 841042490 IRLGAZHVAUILQZ-UHFFFAOYSA-N 323.393 2.450 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ccncc3C)C2)cc1 855223159 FPVWYALCSRHMQS-AWEZNQCLSA-N 311.385 2.407 10 10 DECE CN(C)CC[C@@H](NC(=O)c1cc(O)cs1)c1cccnc1 928831562 ORMGPXWXVYSAKV-CYBMUJFWSA-N 305.403 2.272 10 10 DECE C[C@@H]1C[C@@H](N[C@H]2CCc3nnn(C)c3C2)c2c(O)ccc(F)c21 927148369 WRALAUKPOCTOIM-GBIKHYSHSA-N 316.380 2.355 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC(F)F 858827155 WQTBJPZYYQPLRF-UHFFFAOYSA-N 300.349 2.383 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3CCCO3)C2)cc1 855231754 LWRBWYRVLZQOOK-PBHICJAKSA-N 318.417 2.349 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cc(Cl)cn1 935945649 FNCOTTMTDVZDKH-UHFFFAOYSA-N 314.769 2.044 10 10 DECE CCOc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)c(O)c1 863650907 BPIMSJCJIPLTLD-KKBVYLPWSA-N 302.418 2.221 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1Nc1ccccc1N 1959362388 FWPHAHRZUOLYES-KBPBESRZSA-N 307.394 2.363 10 10 DECE COC(=O)[C@@H]1[C@H](CN(C)c2ccc(OC)c(OC)c2)C1(F)F 894461608 JISCOVVPQLFWHI-GWCFXTLKSA-N 315.316 2.194 10 10 DECE C[C@H](CNCc1c(O)cccc1Br)[S@](C)=O 706880714 GXZPQBYJPQEKOW-BCTVWOGZSA-N 306.225 2.011 10 10 DECE C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCOCC2)cc1 792052241 QEXUWRDCUNGNEF-KBPBESRZSA-N 303.406 2.216 10 10 DECE Cn1cc(CNCc2cc(F)ccc2O)c(Br)n1 720657124 RMHOSRVEAORSIS-UHFFFAOYSA-N 314.158 2.317 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncccc1-c1ccccn1 1150377036 GMQJNRDRBXHLTN-UHFFFAOYSA-N 321.336 2.485 10 10 DECE O=C(COc1cccc(Cl)c1)NCc1cc(O)ccc1O 1153879040 BUSIUPLHBGAJNA-UHFFFAOYSA-N 307.733 2.446 10 10 DECE CCN(Cc1ccc(Cl)cc1O)[C@@H](C)CS(C)(=O)=O 1621182008 QMYCFWVZMIFWMW-JTQLQIEISA-N 305.827 2.301 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1nc[nH]c2nccc1-2 1180421007 SWUXVASUHNIXTP-UHFFFAOYSA-N 302.721 2.199 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1cn(C2CCC2)nn1 1332451847 XXHIGSCQEPOFPD-UHFFFAOYSA-N 318.724 2.445 10 10 DECE CNc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nc1 1294936669 INVXMMURJVLHSD-JTQLQIEISA-N 301.346 2.329 10 10 DECE CCC1(CC)[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C[C@@H]1OC 1466314138 ZRIXZXMQESYEKM-GJZGRUSLSA-N 307.390 2.350 10 10 DECE Nc1c(C(=O)NCc2ccc(O)c(O)c2)ccc(Cl)c1F 1545639497 QMWQBHNJLMTWLY-UHFFFAOYSA-N 310.712 2.403 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cn(-c2ccccc2)cn1 1545669386 YKSWYJVPYNXRJJ-UHFFFAOYSA-N 323.352 2.256 10 10 DECE O=C(c1cccc(O)c1O)N1CCc2c1cccc2[N+](=O)[O-] 1634190284 WIIONRLXTVPOQH-UHFFFAOYSA-N 300.270 2.209 10 10 DECE CN1C(=O)CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1639387192 HRQKCHJFRSUVRK-HNNXBMFYSA-N 312.369 2.173 10 10 DECE COc1cc(C(=O)NCc2ccccc2O)c([N+](=O)[O-])cc1F 1566373810 GEXYNEXBHUCPMZ-UHFFFAOYSA-N 320.276 2.378 10 10 DECE CC(C)N1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 150853274 WZWRYAYYJYLBMM-PBHICJAKSA-N 318.465 2.281 10 10 DECE CN(C)c1ccc(C=CC(=O)N2CCC[C@@H]2C2OCCO2)cc1 1963325163 KFLIMWLDWMGJPW-MRXNPFEDSA-N 316.401 2.130 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1COCCN1 1964653899 PIWLZGPIXGEAJG-NSHDSACASA-N 305.205 2.119 10 10 DECE C[C@@H](CN)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951861171 PWYGPIKBUDQXJN-JQWIXIFHSA-N 310.394 2.128 10 10 DECE Oc1cc(Br)ccc1CN1CCOC[C@@H]1CF 1971804594 JXYCKRVUHUKOFX-NSHDSACASA-N 304.159 2.325 10 10 DECE C[C@H]1CN(Cc2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F 1977891998 FSBROQKJTMGHDP-GWCFXTLKSA-N 315.339 2.158 10 10 DECE CC1([C@H]2CCCCN2C(=O)CCc2ccc(N)cc2)OCCO1 2145807255 UGMHREUTIMSOST-MRXNPFEDSA-N 318.417 2.346 10 10 DECE CS[C@@H]1CCCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 707264714 OPYWNBUIVZRWIL-CQSZACIVSA-N 314.476 2.316 10 10 DECE O=C(NCc1coc(Br)c1)c1ccc(O)c(O)c1 378896833 COPFMVNSNDCWCW-UHFFFAOYSA-N 312.119 2.383 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)c2n1 2062267902 RGQRQGGTHJWHQU-XHDPSFHLSA-N 322.368 2.202 10 10 DECE COc1ccc(O)c([C@H](C)n2nccc2C(=O)NC2CC2)c1 2069942951 POKKBIQDPNGUBD-JTQLQIEISA-N 301.346 2.099 10 10 DECE CCS(=O)(=O)[C@@H]1CCN([C@@H](C)c2cc(F)ccc2O)C1 2179904456 HBDLNYVYUUXEHS-CMPLNLGQSA-N 301.383 2.101 10 10 DECE CN(C[C@H]1CCN1C)c1ccc(CN)c(Br)c1F 2066385925 GWQOKEFSBQTVJN-SNVBAGLBSA-N 316.218 2.187 10 10 DECE CC1(CC(=O)O)CN(Cc2cc(Br)ccc2O)C1 2077011938 DJBOENVKNSMAHJ-UHFFFAOYSA-N 314.179 2.451 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CO[C@H]2COC[C@H]12 2101876872 HNOJJROFWXPYPQ-JLLWLGSASA-N 304.173 2.202 10 10 DECE C[C@H]1C[C@@H](NCc2c(O)cccc2Cl)CCS1(=O)=O 2087676909 DBSOTFNINGBWDB-UWVGGRQHSA-N 303.811 2.101 10 10 DECE Nc1ccc(OCCCN2CCC[C@H](C3OCCO3)C2)cc1 2089612672 WLBVVTOXYCEHDY-AWEZNQCLSA-N 306.406 2.123 10 10 DECE Nc1ccc(CCC(=O)Nc2nccc(Br)n2)cc1 2272022360 DSWHXJNAKDJGHG-UHFFFAOYSA-N 321.178 2.393 10 10 DECE 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COC(=O)c1ccc(O)c([C@@H]2NC(=O)c3ccc(F)cc3N2)c1 726797046 WVTQGAWJQQAEFD-AWEZNQCLSA-N 316.288 2.172 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](C)S(=O)(=O)C1 827164754 MMIMEBHTVSBTHD-DZGCQCFKSA-N 310.463 2.116 10 10 DECE COc1ccc2c(c1)CCCN2C(=O)c1ccnc2c1CC(=O)N2 820500534 MMERIIOBCBCQQQ-UHFFFAOYSA-N 323.352 2.178 10 10 DECE CC(C)(C)N1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588403965 PKICROKXEFAJJC-ALCCZGGFSA-N 318.417 2.490 10 10 DECE COCCN[C@H](C)c1cc(Br)cc(OC)c1O 848512990 CEGCKSBUDSVCLK-MRVPVSSYSA-N 304.184 2.460 10 10 DECE c1cc2c(cc1CN[C@@H]1CCO[C@@]3(CCOC3)C1)CCCO2 921963163 ZVQWIOJCTCTLJA-AEFFLSMTSA-N 303.402 2.439 10 10 DECE COc1ccc(N(C)CCN(C)C[C@@H](OC)[C@H]2CCOC2)cc1 852211648 NKFGLLDMAQKIJN-MAUKXSAKSA-N 322.449 2.115 10 10 DECE CCOCc1cc(CNCC[C@H]2CC(=O)N(C)C2)ccc1OC 922488854 LQEORYTVZSGFEJ-HNNXBMFYSA-N 320.433 2.190 10 10 DECE CSCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856208413 NWYIQYIBLUHYSC-UHFFFAOYSA-N 308.447 2.017 10 10 DECE CN1CCN(c2ccc(CN[C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 858297998 HYZHCQLMPDTHAV-PKOBYXMFSA-N 315.461 2.096 10 10 DECE OC[C@@H]1CC(F)(F)CN1Cc1c(O)cccc1Br 862335720 OENAAAQJINBSLC-QMMMGPOBSA-N 322.149 2.357 10 10 DECE Oc1cccc(Br)c1CN1C[C@@H](O)CC(F)(F)C1 862338913 HCUSGKUCBCAUJU-QMMMGPOBSA-N 322.149 2.357 10 10 DECE CSCc1noc(CCC(=O)N2Cc3cccc(O)c3C2)n1 871204006 VTMXSQFPVNACQD-UHFFFAOYSA-N 319.386 2.113 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)n(C)n2)c1 775918274 BLGGIXMYKGKQBA-VIFPVBQESA-N 320.349 2.026 10 10 DECE Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\c1cnccn1)CC2 773991040 IFLGQFQLVMYNIM-IHWYPQMZSA-N 310.313 2.296 10 10 DECE COCCOc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 872210508 BYQLIEZAIQZRRC-PBHICJAKSA-N 309.406 2.036 10 10 DECE COC(=O)CCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O 779811921 HRBTXAHRVQTDDI-NSHDSACASA-N 309.362 2.311 10 10 DECE CC(=O)N[C@@H](C(=O)NCc1cccc(Cl)c1O)C1CCCC1 890758342 VXHHHUUAYAMPLR-CQSZACIVSA-N 324.808 2.357 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@@H](CNc2ccc(N)cc2)C1 1959365420 GLGMKDAFIGHFKF-AWEZNQCLSA-N 307.394 2.317 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNCc1ccc(O)cc1O 1959593810 SYDFJQDKFYSSOJ-WCQYABFASA-N 308.378 2.101 10 10 DECE CC[C@@H](NCc1c(O)cccc1Br)C(=O)OC 706868367 KJZQFJHPTYZAKR-SNVBAGLBSA-N 302.168 2.196 10 10 DECE Nc1ccc(CC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1 716251906 ORFJMHCARMQYIW-GOSISDBHSA-N 309.413 2.202 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cccc(-n3cccn3)n2)c1 1301046534 FLHUCMSVOQCUIO-UHFFFAOYSA-N 308.341 2.211 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H](N2CCC[C@@H](CN=[N+]=[N-])C2)C1 1912187588 INOOUVNHKVRHOY-RWMBFGLXSA-N 300.428 2.365 10 10 DECE COC(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 1290252555 FCMUTDZCEYRCQX-UHFFFAOYSA-N 312.369 2.469 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1ccn2nccc2n1 1457037306 QLJWFHMWWQKQSU-UHFFFAOYSA-N 302.721 2.018 10 10 DECE CN[C@@H](c1ccccc1O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 1920742211 AXAHSCHNUMKUIT-KBPBESRZSA-N 324.421 2.317 10 10 DECE O=C(NCc1cccc(Br)c1O)c1ccc(O)cn1 1626822739 ULKYRJAPQHSFMJ-UHFFFAOYSA-N 323.146 2.185 10 10 DECE O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc(O)cs1 1587690496 DAXHOMUPXCPPTP-NSHDSACASA-N 302.355 2.310 10 10 DECE COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CCCC1 1596317142 LPFWMTGNEBDJMY-ZDUSSCGKSA-N 321.373 2.258 10 10 DECE COC(=O)NCCCC(=O)NCc1c(O)ccc2ccccc12 1597737272 UUTZBPTVXDNACY-UHFFFAOYSA-N 316.357 2.298 10 10 DECE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2ccco2)n1 1593882571 YXRJQRIMWFRVSI-UHFFFAOYSA-N 313.313 2.021 10 10 DECE C[C@H]1SC(=S)N(CCC(=O)Nc2cccc(F)c2)C1=O 11635931 XWRPYYUHZOPRJW-MRVPVSSYSA-N 312.391 2.403 10 10 DECE CN(C)c1ccc([C@H](O)CCN2CCCC[C@H]2CCO)cc1 1857802192 RVFLPRDRTONTFR-ZWKOTPCHSA-N 306.450 2.413 10 10 DECE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ccnn1Cc1ccccc1 1994373564 FBGZVTDUJIIBNE-HNNXBMFYSA-N 314.349 2.131 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@H]2CCN[C@@H]2C1 2027227717 OXAODXVLJIDSQH-GXFFZTMASA-N 311.223 2.339 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2nncn2C)cc1Br 311813352 GZPYQXFPHGCAAI-SECBINFHSA-N 324.226 2.234 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](F)[C@H](F)C3)c(Cl)cc21 714747645 UZKUVLVIHSBFFZ-LNLATYFQSA-N 301.724 2.049 10 10 DECE Cc1cc(O)n2ncc(C(=O)N(C)CCc3ccccc3C)c2n1 2064053584 OVQMGPTVUVQYGD-UHFFFAOYSA-N 324.384 2.366 10 10 DECE CCN[C@H](C)c1cc(F)c(N2CC([S@@](C)=O)C2)c(F)c1 2194699790 LDSRMTFVHHWXCK-GSDQLPOLSA-N 302.390 2.202 10 10 DECE COc1ccc(N2C[C@H]3C[C@@]3(N)C2)c(OC)c1Br 2044327019 YDRVQMLYBQNODQ-AMIZOPFISA-N 313.195 2.004 10 10 DECE CN(c1ccc(CO)cc1Br)[C@@H](CCO)C(F)F 2058237232 NYVFWDMMVAQTBO-NSHDSACASA-N 324.165 2.394 10 10 DECE NCc1ccc(N2C[C@H]3CC(O)C[C@@H]3C2)c(Br)c1 2065486778 DBBJYKFTEWLFDX-GHMZBOCLSA-N 311.223 2.115 10 10 DECE OCc1ccc(N2CC[C@@H](O)[C@@H]2C2CC2)cc1Br 2067007544 JUPBVIZPSPMQEK-KGLIPLIRSA-N 312.207 2.291 10 10 DECE CN1CCc2cc([C@H](O)c3cc(Br)n(C)n3)ccc21 2106796389 QFJIGDCKYPKWMD-AWEZNQCLSA-N 322.206 2.257 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCCN1 2217967431 PUMRUKJYJVUTOJ-SECBINFHSA-N 317.202 2.478 10 10 DECE CC[C@H](C)[C@H](NCc1cc(Cl)cc(OC)c1O)C(N)=O 2296245395 IJVMCCLKZBRYIH-UFBFGSQYSA-N 300.786 2.044 10 10 DECE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccncc3)C2=O)c1 2297709222 PHQKFJKNRNPQHP-UHFFFAOYSA-N 321.336 2.365 10 10 DECE O=C(C=Cc1ccncn1)NCCCSc1nccs1 2307547945 XWVNNIYFYRXDHS-UHFFFAOYSA-N 306.416 2.245 10 10 DECE CCOC(=O)[C@H]1CCCN(N=Nc2ccc(C(N)=O)cc2)C1 2330153205 QEDPIHIFAWQKOX-LBPRGKRZSA-N 304.350 2.059 10 10 DECE Cc1ccc(CN2CC(C3CNC3)C2)c(O)c1Br 2327622379 XOOMYLHSQLRDFG-UHFFFAOYSA-N 311.223 2.114 10 10 DECE CC[S@@](=O)CCNCc1cccc(Br)c1O 124136203 YQFCNVNMWBAQSY-INIZCTEOSA-N 306.225 2.013 10 10 DECE C[C@@H]1CSCCN1C(=O)c1ccn(-c2ccc(N)cc2)n1 70218804 YBLXYMVYPXLKDD-LLVKDONJSA-N 302.403 2.032 10 10 DECE COc1ccc(OC)c(NC(=O)Cc2ccc(O)c(O)c2)c1 240628443 ADSKCTJLSCQEDR-UHFFFAOYSA-N 303.314 2.296 10 10 DECE CN1CCCc2cc(CNC(=O)/C=C\c3cncc(O)c3)ccc21 255089994 ZWTAKIFTDZDPRU-ALCCZGGFSA-N 323.396 2.499 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C 1895875428 JIXMVNSXQBBWJX-SRVKXCTJSA-N 323.397 2.401 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](CN)[C@H](c2cccc(O)c2O)C1 382680625 AQMPXSITXQDJTK-CMPLNLGQSA-N 308.378 2.007 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(F)(F)F 2164681006 ZQTLEKQVOVDOJF-XHNCKOQMSA-N 312.317 2.289 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc(CC2CC2)nc1 803557837 IXHRTLJFZLXLPW-XQRVVYSFSA-N 311.341 2.492 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1F 806685557 UWIQJRPPUSZFPD-ZDUSSCGKSA-N 322.380 2.051 10 10 DECE COC(=O)N(C)CCN(C)Cc1cc(Cl)cc(OC)c1O 827341122 ZMIYTAGNNRDLBA-UHFFFAOYSA-N 316.785 2.184 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CC[C@H](Cc2ccncc2)C1 828212925 WBWRYPPMVDPYJR-GFCCVEGCSA-N 316.332 2.337 10 10 DECE CC[C@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 908444144 SRUWXCUEXLPASD-NSHDSACASA-N 320.414 2.479 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2nccn2C)cc1F 741265955 YNHVAZKORZMSEQ-UHFFFAOYSA-N 304.369 2.335 10 10 DECE CS(=O)(=O)C1CCC(CNCc2ccc3c(c2)CCO3)CC1 922419047 GIUVSQKHKGNZFQ-UHFFFAOYSA-N 323.458 2.315 10 10 DECE C[C@@H]1CC[C@H](CN)N(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C 923425525 ZTLNPZLGLRTBLZ-GPMSIDNRSA-N 317.477 2.471 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3(OC)CCCC3)C2)cc1 855227113 WMHVHYKICZRDDU-CQSZACIVSA-N 318.417 2.349 10 10 DECE Cc1nc(NCc2ccc3c(c2)CCCN3C)nc(N(C)C)n1 768527289 WJBHNCHTKNYKHJ-UHFFFAOYSA-N 312.421 2.241 10 10 DECE CC[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)c1ccc(F)cc1O 866414091 ZQEGRWNAILHMML-DZGCQCFKSA-N 310.413 2.417 10 10 DECE CCn1ncc(Br)c1C(=O)NCc1ccccc1O 1445969589 IQUPYHMSZYVEOG-UHFFFAOYSA-N 324.178 2.301 10 10 DECE O=C(O)C[C@@H](NCc1cc(F)cc(F)c1O)C1CCOCC1 1119611656 KURFWYASJQTJKO-CYBMUJFWSA-N 315.316 2.030 10 10 DECE CN1CCCC[C@H]1CCC(=O)NCCc1ccc(O)c(O)c1 788310026 YIGXYHSUKAWBGY-AWEZNQCLSA-N 306.406 2.021 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](OC(F)F)C1 781416553 VXOXMBHSEKYXQM-VLWUPBBWSA-N 313.300 2.341 10 10 DECE Cc1cc(C(=O)N[C@@H](CO)C(C)C)c(C)n1-c1ccccn1 1305992258 VXIHHFTZXBMRAT-HNNXBMFYSA-N 301.390 2.236 10 10 DECE C[S@@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1303907930 MPIVEOUSSNZCCW-QFIPXVFZSA-N 323.345 2.463 10 10 DECE CN(C)CC1(NCc2cc(Cl)cc(Cl)c2O)COC1 2120355148 IKGVPKOLTZUDQM-UHFFFAOYSA-N 305.205 2.119 10 10 DECE CC(C)C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261858577 VIXDOVQXCYPVPS-ZDUSSCGKSA-N 316.401 2.129 10 10 DECE Cc1nnc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1C1CC1 1297683886 YJUQJMYFIAIMSS-UHFFFAOYSA-N 313.321 2.336 10 10 DECE CO[C@](C)(C(=O)NCc1cc(O)ccc1O)c1ccccc1 1455357443 QYAOIBPEFZDDQL-KRWDZBQOSA-N 301.342 2.276 10 10 DECE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(O)c1O 1472331242 PQOGAGPUOONKIH-HIFRSBDPSA-N 318.417 2.433 10 10 DECE CCc1ncc(Cl)c(C(=O)NCc2cccc(OC)c2O)n1 1545684400 VNIHYVLKOKHDJG-UHFFFAOYSA-N 321.764 2.337 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2n[nH]cc2C1 1629377837 CVLDONNJEHPELJ-UHFFFAOYSA-N 315.354 2.234 10 10 DECE CC(C)(C)OC(=O)NCCCC(=O)NCc1cccc(O)c1O 1558159813 MMHLCEKGMVCJRN-UHFFFAOYSA-N 324.377 2.019 10 10 DECE Cc1cnc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)s1 1630775536 NYJLYYZAXVCBAO-UHFFFAOYSA-N 306.387 2.457 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2oncc2C)cc1C 1569028559 PKQUIMFLTOVYCG-CYBMUJFWSA-N 317.389 2.208 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)c1ccccc1F 1630877136 SQVWKQIOORGQRW-AWEZNQCLSA-N 319.332 2.019 10 10 DECE Cn1cc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)nn1 1585154446 DEZNNRNCSQKTDH-UHFFFAOYSA-N 310.313 2.146 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2cccc(O)c2O)C1 1936010869 LDAMMXHPVGQMLR-BJHJDKERSA-N 322.405 2.491 10 10 DECE CCCC(=O)Nc1ccc(O)c([C@@H](C)NCC[S@](C)=O)c1 168779511 LHUZILKUBSERDL-WSVYEEACSA-N 312.435 2.160 10 10 DECE C[C@@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N(C)C)cc1 151272129 IAQCFJWQBXXEGQ-CRAIPNDOSA-N 305.466 2.250 10 10 DECE COC(=O)c1ccc(=Nc2cc(Cl)cc(Cl)c2O)[nH]n1 1859510155 XSAWFQXJPFUXKB-UHFFFAOYSA-N 314.128 2.441 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@H](F)C2)c(Br)c1 2027968298 DHDXFKFODYSMIW-XTWCZFFVSA-N 318.186 2.412 10 10 DECE Cn1ncc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c1Br 403624943 RNDRHDHTVMQAPV-SSDOTTSWSA-N 313.159 2.098 10 10 DECE CC(C)(C)NC(=O)CNCc1c(O)cccc1Br 706808346 KFLYWBUGBMLZNP-UHFFFAOYSA-N 315.211 2.159 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]4C3)c(Br)cc21 379540782 OJRJNHPXUAKXTR-BFHDXFOESA-N 322.206 2.118 10 10 DECE CC(C)(C)OC(=O)c1cn(Cc2cc(F)ccc2O)nc1O 2070638249 NQONBRAVZKLDFC-UHFFFAOYSA-N 308.309 2.437 10 10 DECE CN(C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(CN)c(Br)c1 2054277240 DVONYFSZKQPJLE-CLLJXQQHSA-N 311.223 2.236 10 10 DECE CN(Cc1c(O)cccc1Cl)CC1(F)COCCOC1 2187196055 OJNKLYAGRXUQPY-UHFFFAOYSA-N 303.761 2.233 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NCc2ccc(O)c(O)c2)C1 2212430409 FRTIXJAJDRZAIF-PXAZEXFGSA-N 320.389 2.197 10 10 DECE CSc1ncc(CNC[C@H](O)COc2ccccc2)s1 2208457239 OWSMBFKTNBCXMZ-NSHDSACASA-N 310.444 2.395 10 10 DECE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])C[C@@H]2CCC[C@H]21 2244998601 DPMANGNRVQBOMG-FIXISWKDSA-N 323.397 2.496 10 10 DECE Cc1cccc(CNCc2cscc2S(C)(=O)=O)c1O 2288485825 ZOYUHHAZIDMESJ-UHFFFAOYSA-N 311.428 2.455 10 10 DECE CO[C@H]1COCCN(Cc2cc(Br)ccc2O)C1 2326665910 LFOCFXSTCQQGQB-GFCCVEGCSA-N 316.195 2.002 10 10 DECE CN[C@H](C)CC(=O)NCc1ccc(C)c(Br)c1O 2327594768 BUMIHEYPUJODFB-SECBINFHSA-N 315.211 2.077 10 10 DECE COc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 384291 VAFYEFQMTCTPOU-UHFFFAOYSA-N 319.320 2.110 10 10 DECE Cc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)c1O 180111160 FACDTYDXPUWHDE-UHFFFAOYSA-N 314.433 2.142 10 10 DECE CC[C@@H]1[C@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(OC)c1O 252848668 HYDXPLCWWWUULP-FPMFFAJLSA-N 310.825 2.484 10 10 DECE Oc1cc2c(cc1CNC1CC(N3CCCCC3)C1)OCO2 366879194 KNSLLFCJYVNGGG-UHFFFAOYSA-N 304.390 2.227 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC2(F)F)c1 806810343 KADGXXFARSNLCV-GFCCVEGCSA-N 300.305 2.388 10 10 DECE C[C@@H]1CC[C@H](OC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 815197303 OIACELGCKKTZJC-KOLCDFICSA-N 313.375 2.109 10 10 DECE Oc1ccc2c(c1)CN(Cc1cc3c(cc1O)OCO3)CCO2 827656637 KHXOQPIJZIRTLF-UHFFFAOYSA-N 315.325 2.221 10 10 DECE Cc1cc(CC(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccccc1 831263877 VXTIMPLAZCDEGR-MRXNPFEDSA-N 312.413 2.477 10 10 DECE CC[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC 839921134 HQICPULYWUFIED-CJNGLKHVSA-N 320.433 2.307 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@]2(CCO)CCOC2)cc1 835043342 PEICIXVVISYUJV-WHLIDYPQSA-N 304.434 2.145 10 10 DECE CN(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 913870794 YXXDPROXAZJXJJ-ZDUSSCGKSA-N 321.352 2.226 10 10 DECE CC1CCN(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 842786279 VGQKBMMGLDBGMK-MRXNPFEDSA-N 304.438 2.194 10 10 DECE C[C@H]1C[C@@H](C)C[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 850834336 IXKPTSPSSGULEF-ITGUQSILSA-N 303.406 2.396 10 10 DECE Cc1cc(Br)cc([C@H](C)N[C@@H]2CNOC2)c1O 925862680 XNVSVJPGDLZGEW-WCBMZHEXSA-N 301.184 2.017 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)c3nccn3C)C2)cc1 850488895 PBBCDUUZTHBPFH-KBPBESRZSA-N 300.406 2.358 10 10 DECE C[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O 850560479 FJLFRWFYKGEYJG-KBPBESRZSA-N 303.406 2.333 10 10 DECE CN(C)c1cc(F)c(CNCC[C@@H](O)C(F)(F)F)cc1F 862367657 QIIYCTJCAPMCEW-GFCCVEGCSA-N 312.282 2.434 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3CN(C)C[C@H]3C2)c(Br)c1 707002640 ULYGULLSUHGEON-WXHSDQCUSA-N 324.266 2.467 10 10 DECE O=C(c1cccc(O)c1O)N1CC(Nc2ccc(F)cc2)C1 1302086440 SQBIQRPXLNPRBC-UHFFFAOYSA-N 302.305 2.173 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1COC(=O)C1 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2.394 10 10 DECE CNCc1ccc(N2CCN(C)[C@@H]3C[C@@H]32)cc1Br 2049375093 KOFLCQJCYCIEPX-KGLIPLIRSA-N 310.239 2.061 10 10 DECE COC(=O)C(=C1C(=O)N(c2ccccc2)N=C1C)C(F)(F)F 2296739312 UOFNXKCTHAQBME-UHFFFAOYSA-N 312.247 2.441 10 10 DECE O=C(/C=C\c1cnccn1)N1CCCc2ccc([N+](=O)[O-])cc21 491893534 PIYMKQUUINCHCK-XQRVVYSFSA-N 310.313 2.377 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ncon1 2308001465 LTFHJSXHHDGVCU-GFCCVEGCSA-N 315.329 2.248 10 10 DECE COc1ccc(N2CCN(C(=O)NC[C@@H](C)SC)CC2)cc1 178649082 KNVUAFKANYPEEE-CYBMUJFWSA-N 323.462 2.278 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1[C@@H](N)c1ccccc1O 1894272764 IPXZPEXVCVZFSB-NJZAAPMLSA-N 322.405 2.322 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Cn2nc(C)cc2C)c1 170900877 TWWQSXGLSCOGEZ-LBPRGKRZSA-N 303.362 2.092 10 10 DECE Oc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)c(O)c1 37648222 OREHHPLLKHPKKI-SNVBAGLBSA-N 304.312 2.072 10 10 DECE Nc1ccc(CS(=O)(=O)NCCCc2ccccc2)cc1 37719484 QSCJQKQVPQIYSD-UHFFFAOYSA-N 304.415 2.321 10 10 DECE CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc(F)ccc1O)CC2 185996217 LCRRIKUTQGMAMY-JQWIXIFHSA-N 304.369 2.351 10 10 DECE CN(c1cc(Br)c(CN)cc1F)[C@H]1CCOC1 380041802 SBLWUQORMMAHAX-VIFPVBQESA-N 303.175 2.272 10 10 DECE COc1cccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)c1O 528860788 LXJOIIQUHOIEGV-TVQRCGJNSA-N 314.179 2.191 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)COCc2cc(C)no2)c1 801174527 QFJSUYCSBYEMEC-LLVKDONJSA-N 320.345 2.091 10 10 DECE C[C@H]1OCC[C@@H]1C(=O)NCc1cc(Br)ccc1O 804733107 IVXJNFGYCIRJAS-KCJUWKMLSA-N 314.179 2.196 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)c1O 290982814 UGEQWAYPVKVMMQ-USWWRNFRSA-N 312.753 2.299 10 10 DECE NC(=O)C[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O 816498135 HVDCWHIWJBTLHG-SNVBAGLBSA-N 300.761 2.415 10 10 DECE CN1C[C@@H]2CCN(Cc3ccc(Br)cc3O)[C@@H]2C1 825967132 FHUAFARIBVTKSL-GXFFZTMASA-N 311.223 2.291 10 10 DECE Cc1cc([C@H](N)CC(=O)NCc2ccccc2O)cc(Cl)n1 828015569 JBKOHRALUZKJGG-CYBMUJFWSA-N 319.792 2.455 10 10 DECE O=C(NCc1cc(Br)ccc1O)[C@H]1CC1(F)F 831932857 KFAMAOMPQFVFGW-MRVPVSSYSA-N 306.106 2.426 10 10 DECE Cn1cc(CNCc2ccc(OCc3ccccc3)cc2O)nn1 753568771 AJLNCYKPZIYRGG-UHFFFAOYSA-N 324.384 2.390 10 10 DECE CCOc1ccc(O)c(CNCCCNc2ncccn2)c1 751505480 GLJBSRDBVODOHB-UHFFFAOYSA-N 302.378 2.173 10 10 DECE COc1cc(N2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OC 853858521 NRFVPTQEHLGCGZ-MEBBXXQBSA-N 308.334 2.085 10 10 DECE C[C@H](N[C@H](CO)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 850487782 JVSJLVIWAIQNJN-SUMWQHHRSA-N 322.424 2.474 10 10 DECE CC(C)Cn1cnc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 867833813 BEYGMKRBGLIHMJ-LBPRGKRZSA-N 323.418 2.284 10 10 DECE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]1(C)CO 898985481 WRYPINOFVWUTJE-ABKXIKBNSA-N 321.398 2.403 10 10 DECE CCCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 895902906 QSCDPUSMVJSPLM-UHFFFAOYSA-N 320.414 2.480 10 10 DECE CC1(C)[C@H]2C(=O)N(c3ccc(N)c(Br)c3)C(=O)[C@@H]21 211495046 LTHCXFMXPISVPZ-NXEZZACHSA-N 309.163 2.177 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@@](C)(CO)COC)c(Cl)c1 689814482 OYBJITBVOLRPOA-NHYWBVRUSA-N 300.830 2.454 10 10 DECE Cc1noc(CCC(=O)NCc2c(O)ccc3ccccc23)n1 1157037228 ORBOBYLYGHHIGS-UHFFFAOYSA-N 311.341 2.486 10 10 DECE CCn1ncc(Br)c1C(=O)N(C)CCN=[N+]=[N-] 1912209236 ZMWXCLFXUJRMAU-UHFFFAOYSA-N 301.148 2.048 10 10 DECE c1cc2c(cc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1)CCO2 1461285229 YHXAJUXXIZMRDF-MSOLQXFVSA-N 316.445 2.355 10 10 DECE COc1nsc(OC)c1C(=O)NCc1cc(C)ccc1O 1470256843 BOWBOWOBDKOXIH-UHFFFAOYSA-N 308.359 2.104 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)Cc2ccoc2)cc1C 1567011820 MIENXYGJIXRCPM-CQSZACIVSA-N 316.401 2.434 10 10 DECE COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cnc1OC 1641623449 JWTGWGOKOCZFPY-XQRVVYSFSA-N 316.313 2.162 10 10 DECE CC(C)(C)OC(=O)N[C@H](CSc1nccs1)C(=O)O 1933138804 UWSZUMCTQBMMBP-SSDOTTSWSA-N 304.393 2.213 10 10 DECE CC[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O 14819800 FFCVGPRCQWKWLA-NSHDSACASA-N 314.293 2.022 10 10 DECE biogenic O=S1(=O)CCC[C@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]21 2145074962 YLDFILXRQLOOFT-GWCFXTLKSA-N 315.822 2.055 10 10 DECE COc1cc(N)c(N(C)C2CCC3(CC2)OCCO3)cc1OC 2145839110 FDRZORDUUIRKHG-UHFFFAOYSA-N 322.405 2.408 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151271156 BYPDEJWNJSORIK-DRCTWCGVSA-N 315.822 2.017 10 10 DECE C[C@H](O)c1ccc(N2C[C@H]3C[C@@]3(CO)C2)cc1Br 2029636802 XIBAUTJPJKCZTM-RBZYPMLTSA-N 312.207 2.321 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)C[C@H]1CCNC1 2036981114 CKSQBQXUAJQZTR-VIFPVBQESA-N 317.202 2.335 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 403635261 IFECXWQCJIKCJM-MRVPVSSYSA-N 302.306 2.428 10 10 DECE COc1cc(Cl)cc(CN[C@](C)(CO)C(F)(F)F)c1O 2161367144 WVRIHBMEJXWCMI-LLVKDONJSA-N 313.703 2.457 10 10 DECE C[C@H]1[C@H](CO)CCN1c1cc(Br)c(CN)cc1F 385608717 DYLLYHVZSGDZNA-IUCAKERBSA-N 317.202 2.254 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C4CC4)[C@@H]3C3CC3)c2n1 2063279760 FSDAHIHPYWQEEJ-ZFWWWQNUSA-N 312.373 2.004 10 10 DECE CC(C)S(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(F)cc1O 2170591354 YUDITCLNJDIRDE-MNOVXSKESA-N 303.399 2.394 10 10 DECE NCc1ccc(N2CCO[C@@H]3C[C@@H]32)c(F)c1Br 1907001986 HIJZMPZIJRMRPD-VHSXEESVSA-N 301.159 2.024 10 10 DECE Nc1ccc(CCN=c2c(N)c[nH]cc2Br)cc1 2071654059 JHXLPNXTWKKZJQ-UHFFFAOYSA-N 307.195 2.085 10 10 DECE COCCN(Cc1cc(Cl)cc(Cl)c1O)C1CNC1 2103942025 WPOHCHAAXPLUBZ-UHFFFAOYSA-N 305.205 2.119 10 10 DECE Cc1cccc(CN=c2[nH]cnc(F)c2Br)c1O 2084058907 MFRYSOQUILGUAL-UHFFFAOYSA-N 312.142 2.426 10 10 DECE CNCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2219148675 IYVPLXVYGSFCKI-PWSUYJOCSA-N 317.202 2.078 10 10 DECE Cc1ccc(CN[C@H]2CCC[C@H]2O)c(O)c1Br 2307475018 NYWZUOCTQYNCET-WDEREUQCSA-N 300.196 2.466 10 10 DECE OCc1ccc(N2[C@H]3CC[C@@H]2[C@@H](CO)C3)c(Br)c1 2308533332 LQCYKEMQAWNXPA-NTZNESFSSA-N 312.207 2.291 10 10 DECE Cc1ccc(CN2C[C@H]3[C@H](O)C[C@H]3C2)c(O)c1Br 2327628827 LGPWJWJJNANGIH-QJPTWQEYSA-N 312.207 2.276 10 10 DECE c1ccn2cc(CNCc3ccc(N4CCOCC4)cc3)nc2c1 72726586 NXVCIDYDQOMFPD-UHFFFAOYSA-N 322.412 2.461 10 10 DECE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cccc2nsnc12 2362987108 BWHXNXSFTWDARM-UHFFFAOYSA-N 312.380 2.012 10 10 DECE Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c(O)c1O 194533822 QPOJZLWDNKKCSZ-UHFFFAOYSA-N 324.340 2.298 10 10 DECE COc1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)cc1 82359267 AAICARCSHFYCBL-UHFFFAOYSA-N 309.373 2.293 10 10 DECE NCCCN(Cc1ccccc1)C(=O)c1cccc(O)c1O 381783796 GMSFVSFNECYFKO-UHFFFAOYSA-N 300.358 2.089 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CCN3CCC[C@H]3C2)c1O 245801815 XXPXFEKNVNWYRB-LBPRGKRZSA-N 311.769 2.234 10 10 DECE CC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C)S1(=O)=O 808191911 DYAKDLCWBQTART-BLLLJJGKSA-N 323.458 2.278 10 10 DECE COCC1(C(=O)NCc2cc(Br)ccc2O)CC1 804738149 DWHDAWOGVVPAAY-UHFFFAOYSA-N 314.179 2.198 10 10 DECE CCN(C(=O)NCCCSc1nccs1)[C@@H]1CCOC1 813099511 VKQXWNNEYWSIAG-LLVKDONJSA-N 315.464 2.446 10 10 DECE CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1c1c(N)cccc1O 1953067551 GUQJSKVYYGVRQC-JQWIXIFHSA-N 307.394 2.244 10 10 DECE O=[N+]([O-])c1ccc(Cl)c(O)c1[C@H](CF)N1CCOCC1 575301491 BBBUMPREFOGPTK-JTQLQIEISA-N 304.705 2.297 10 10 DECE CO[C@@H]1C[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1894884089 HWMNLPGDTHYNSR-UXIGCNINSA-N 322.405 2.416 10 10 DECE COc1ccc(N2CCC(N[C@H]3CCN(C)[C@H]3C)CC2)cc1 903299860 CCCRMMDXURYDRC-KSSFIOAISA-N 303.450 2.346 10 10 DECE C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)CCS1(=O)=O 835049381 QUZCFPKKNCGRQR-RGDDUWESSA-N 322.474 2.275 10 10 DECE CN(C)CCOC1CCN(Cc2cc3c(cc2O)CCC3)CC1 738210011 ORFQYKUDZINOPD-UHFFFAOYSA-N 318.461 2.424 10 10 DECE CC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)c(O)c(O)c2)c1 586737067 LWBPDJGONHZVMS-UHFFFAOYSA-N 316.313 2.323 10 10 DECE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@@H]2COC[C@@H]21 1896444995 VCFJBTSVNSHQIN-CABCVRRESA-N 319.405 2.093 10 10 DECE CO[C@@H]1CCCC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911490096 XTMCTQWGFTYVOS-UKRRQHHQSA-N 321.373 2.011 10 10 DECE C[C@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1C 921447743 RJGRRIFVPZRPQW-QWRGUYRKSA-N 314.480 2.017 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\CN 841994240 CXARPXXALFRUSR-WAYWQWQTSA-N 304.438 2.188 10 10 DECE CCN(C(=O)C=C1CCNCC1)c1ccc(OC)c(OC)c1 852814979 QLLXNCRMGQPXKS-UHFFFAOYSA-N 304.390 2.367 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccc(NC2CC2)nc1 928712847 ZJYDFCUICUNFTO-UHFFFAOYSA-N 301.321 2.431 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CC1CSC1 868966489 QERMMZKSYUGWMK-UHFFFAOYSA-N 323.414 2.037 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCC1(F)F 866835309 XSTVDKSGHIRVFE-NSHDSACASA-N 305.346 2.199 10 10 DECE C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1O 868397346 SBEPHIBJOJPEBP-XUJVJEKNSA-N 303.406 2.235 10 10 DECE CCCC(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871201202 RXFZZRBRHUEJTA-AWEZNQCLSA-N 302.374 2.026 10 10 DECE COc1ccc(CNCc2nc(CC(=O)O)cs2)cc1C 871881208 MDIIDAYLIOIWRK-UHFFFAOYSA-N 306.387 2.377 10 10 DECE O=S(=O)(NCc1ccccc1O)c1ccc(Cl)nc1F 703089482 NSHLNJVMLHJGQG-UHFFFAOYSA-N 316.741 2.058 10 10 DECE CN[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 715758300 JWOJMOQSXIUWIM-JTQLQIEISA-N 303.175 2.088 10 10 DECE COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cn1 1162607602 VMTDAVCRDVMEPW-UHFFFAOYSA-N 309.325 2.274 10 10 DECE C[C@H](NC(=O)c1ccccc1-n1ccnn1)c1ccccc1O 1171730584 PFGRFQXEQGTQCQ-LBPRGKRZSA-N 308.341 2.464 10 10 DECE COC(=O)N(C)CCN(C)Cc1ccc(N2CCCC2)cc1 1261673067 KNRMPZWFOHLEFY-UHFFFAOYSA-N 305.422 2.417 10 10 DECE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2cc(Cl)ccc2O)C1 1347235573 ZPONGTCIHBCHLD-ZLKJLUDKSA-N 323.824 2.185 10 10 DECE CON1CCN(c2ccc([C@H](C)N)cc2Br)CC1 1915796899 JNWNKAHKFSCRFD-JTQLQIEISA-N 314.227 2.152 10 10 DECE CN(C)c1ccc(-c2nc(CN)c(Br)n2C)cc1 217266366 AIEHJGALOKGLHS-UHFFFAOYSA-N 309.211 2.374 10 10 DECE O=C(NCc1nc(C2CC2)n[nH]1)NCc1cccc(Cl)c1O 1478715206 HAGXLUFKTWJNHK-UHFFFAOYSA-N 321.768 2.041 10 10 DECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cnnn2C)c1 1472090319 GBOJPUCMQAQDFS-UHFFFAOYSA-N 323.356 2.287 10 10 DECE CCNC(=O)c1cc(NC(=O)c2cccc(O)c2O)c(C)s1 1634415413 RSWUGGUJYVAWDU-UHFFFAOYSA-N 320.370 2.470 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@@H]1O 1638348015 OADMONYECMAIPB-YUTCNCBUSA-N 307.390 2.086 10 10 DECE O=C(CCOc1ccccc1F)NCc1cc(O)ccc1O 1643879171 DFGWPHXILGNBNB-UHFFFAOYSA-N 305.305 2.322 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCc2cccnc21 1570808420 FWPSBAXLRMWTRX-YOIVXCQUSA-N 310.353 2.352 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1n[nH]c2c1CCC2 1570531320 COOJRHTVEKUXJG-UHFFFAOYSA-N 308.341 2.082 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2nccs2)cc1C 1699426633 VUISEAHYAQAHHG-LBPRGKRZSA-N 319.430 2.368 10 10 DECE COc1cc(CN2CCC(n3cncn3)CC2)c(O)cc1C 160239935 MCMMQJYVSJICPT-UHFFFAOYSA-N 302.378 2.138 10 10 DECE CCCOC(=O)c1ccc(/N=N/N2CCN(C(C)=O)CC2)cc1 1860482271 OHFOIHKMQRRBOD-ISLYRVAYSA-N 318.377 2.416 10 10 DECE COC(=O)c1ccc(/C=C2\C(=O)N(C)N=C2C(F)(F)F)cc1 1865675682 VBGVFVDXZOOLAX-YFHOEESVSA-N 312.247 2.247 10 10 DECE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1C[C@H]1CCCO1 1857909957 UBUCVTBHVFPCBB-MRXNPFEDSA-N 314.385 2.497 10 10 DECE CN(CC[C@](C)(O)[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1980068893 FHGLGIABSIVMGK-PBHICJAKSA-N 324.421 2.400 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H]2C[C@H]21 1985094606 RFLTVGVMQBYDCE-RWSFTLGLSA-N 323.397 2.449 10 10 DECE COC[C@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 1994456850 RLOACZFFUWYDMU-AWEZNQCLSA-N 324.421 2.330 10 10 DECE C[C@H]1CN(C)CCN(c2ccc(CO)cc2Br)C1 707361856 AUACJIRLWZOZCZ-NSHDSACASA-N 313.239 2.329 10 10 DECE O=C(O)[C@H]1OCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 716162426 XJMRXJAKYWOERS-MADCSZMMSA-N 320.172 2.278 10 10 DECE CCCN(CC(N)=O)[C@H](C)c1cc(Br)ccc1O 385728826 OGZZURMUAPAPNO-SECBINFHSA-N 315.211 2.413 10 10 DECE O=C1Nc2cc(N3CC=C(F)C3)c(Br)cc2[C@@H]1O 2046136957 JTUOELJNGJSMJU-NSHDSACASA-N 313.126 2.108 10 10 DECE CNCc1ccc(N2CC[C@H]3C[C@@]3(O)C2)cc1Br 2051363753 UWOQEZOZKNCKIS-SMDDNHRTSA-N 311.223 2.130 10 10 DECE C[C@@H]1C[C@@H]1N(C)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2052755888 XXAXWZSJBQRDSR-MDSUWVFBSA-N 311.179 2.279 10 10 DECE CC1(O)CC2(CN(c3ccc(CN)c(Br)c3)C2)C1 2063338422 VKAPVXGSJRLLHK-UHFFFAOYSA-N 311.223 2.259 10 10 DECE OCc1ccc(N2CC[C@H](C3(O)CC3)C2)c(Br)c1 2066925213 JXQKLBWBMULGDP-NSHDSACASA-N 312.207 2.293 10 10 DECE CNCc1ccc(N2CC[C@H]3COC[C@@H]32)cc1Br 2077850074 CSTLIMWKGKLQGC-FZMZJTMJSA-N 311.223 2.394 10 10 DECE OCc1ccc(N2C[C@@H]3CC[C@@]3(CO)C2)cc1Br 2078150630 HBRIHJKQAQXZGU-FZMZJTMJSA-N 312.207 2.150 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNCC[C@@H]1COC[C@H]1O 2111336519 PCXKFKKXDJJEKA-PRHODGIISA-N 306.189 2.186 10 10 DECE CCn1ncnc1CN(C)c1ccc(CN)c(Br)c1 2111751472 DLCXXJPBQOSSMU-UHFFFAOYSA-N 324.226 2.156 10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@@H]2[C@H](C)O)c1O 2220454217 QYFYITOVBSATCP-VAOFZXAKSA-N 316.195 2.022 10 10 DECE COc1ccc(Br)c(CN[C@]23COC[C@H]2C3)c1O 2220461939 DMWOYJGJPAJVIY-AMIZOPFISA-N 314.179 2.042 10 10 DECE COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)cc1 2243999629 LCKOERMWSDCPIY-CYBMUJFWSA-N 324.421 2.407 10 10 DECE CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 2296656415 HOOIMVGREKMMCL-UHFFFAOYSA-N 315.325 2.108 10 10 DECE CSc1ncc(CN[C@](C)(C(=O)O)C(F)(F)F)s1 2326013263 YFWSYDAMFUNQPX-MRVPVSSYSA-N 300.327 2.360 10 10 DECE Cc1ccc(CN(C)C[C@H]2C[C@H]2CN)c(O)c1Br 2327587369 XTWWFLGNOMTDGK-NWDGAFQWSA-N 313.239 2.490 10 10 DECE CCN(C)C(=O)CNCc1ccc(C)c(Br)c1O 2327623196 FDRUMSAXNXJZQO-UHFFFAOYSA-N 315.211 2.031 10 10 DECE CON(C)C1CN(Cc2ccc(C)c(Br)c2O)C1 2327610258 SYFSGEWWUPGEHP-UHFFFAOYSA-N 315.211 2.141 10 10 DECE O=C1Nc2cc(N3C[C@@H]4CC[C@H]3C4)c(Br)cc2[C@H]1O 2330087717 BBDGYZAPWSLHIC-BFHDXFOESA-N 323.190 2.423 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1ccc(O)c(O)c1O 1952303340 VVCVBASGRVPYIQ-LLVKDONJSA-N 324.377 2.075 10 10 DECE CC(C)(C)OC(=O)N[C@]1(c2c(O)cccc2[N+](=O)[O-])CCNC1 1952831044 CQSPWJUEROQNBA-OAHLLOKOSA-N 323.349 2.014 10 10 DECE COCCN(CC(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 83212623 KVVPZTLQMPVUSZ-UHFFFAOYSA-N 324.421 2.071 10 10 DECE CC(C)(C)OC(=O)NCCCNCc1cc2c(cc1O)OCO2 222020215 YCNZJNZMMXTSKP-UHFFFAOYSA-N 324.377 2.125 10 10 DECE C[C@@H](O)CCN(C)c1ccc(CN)c(Br)c1F 231840710 HDKHXTPDTBEDLR-MRVPVSSYSA-N 305.191 2.254 10 10 DECE O=C(/C=C/c1cnccn1)NCc1c(O)ccc2c1CCCC2 269094615 YUABHDXSDJFMQR-SOFGYWHQSA-N 309.369 2.391 10 10 DECE CCOC(=O)[C@@H](N)c1c(O)cc(Cl)cc1Br 260853666 HZXUCIQTCBDFTF-VIFPVBQESA-N 308.559 2.371 10 10 DECE Cc1cccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O 282980923 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CC(C)C[C@@H](C(=O)NCc1ccc(O)cc1O)n1ccnc1 910942546 FEPRMBORZMMZGP-AWEZNQCLSA-N 303.362 2.198 10 10 DECE COc1cccc([C@@H](C)NC[C@@H]2CN(C3CC3)C(=O)O2)c1O 848570930 CQUJKDKATXTBLQ-ZYHUDNBSSA-N 306.362 2.035 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 846701940 JSPNRATVYSVNAU-MXWKQRLJSA-N 307.346 2.079 10 10 DECE COc1ccc(N2CCN(Cc3[nH]c(C)nc3C)CC2)cc1F 929820753 HPFQBFKMQNBPOZ-UHFFFAOYSA-N 318.396 2.496 10 10 DECE CC(=O)NC[C@H](CC(=O)NCc1c(O)cccc1F)CC(C)C 928705979 NCLYZEIVMFTPNN-ZDUSSCGKSA-N 324.396 2.336 10 10 DECE CCC1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 697484478 HMTHIQYVROGTBB-LBPRGKRZSA-N 310.195 2.247 10 10 DECE CC(C)(C)N1CC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 855161623 AKYHAVPMBZYBFI-VGVVRCBHSA-N 304.390 2.100 10 10 DECE COc1ccc(N2CC[C@H](NCc3cccc(OC)n3)C2)cc1 850347164 OZUWVPATMHMVSU-HNNXBMFYSA-N 313.401 2.467 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 761841098 PWZWMVIXFIRSQM-UHFFFAOYSA-N 314.345 2.328 10 10 DECE COc1cc(O)c(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1OC 862528614 CSRMDBYWDTZWAP-SUMWQHHRSA-N 307.390 2.004 10 10 DECE CCN(Cc1cn(C)nn1)Cc1cc(Cl)cc(OC)c1O 761217967 ZAGHKRRFFYOJLF-UHFFFAOYSA-N 310.785 2.205 10 10 DECE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(N)CC1(F)F 870857176 ACZMWUPKBOMACM-INIZCTEOSA-N 323.387 2.372 10 10 DECE C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)cc(F)c1O 775648843 GNLGQARIJKLXKB-IUCAKERBSA-N 300.761 2.271 10 10 DECE Cc1ccc(O)c(CNC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1 785544148 KLZMXVSFABLPMH-VNVMELSDSA-N 311.425 2.299 10 10 DECE C[C@H](CNC(=O)c1ccc(O)c(O)c1)N(C)Cc1ccccc1 390816298 LIWZVAQOOILBKT-CYBMUJFWSA-N 314.385 2.348 10 10 DECE COC(OC)[C@H](C)N(C)c1ccc(CN)cc1Br 714705913 KAARZOGQVDFGCB-VIFPVBQESA-N 317.227 2.351 10 10 DECE Cn1ncc(CNCCCc2ccc(N)cc2)c1Br 2116493729 WLBFNPVBJOTLRY-UHFFFAOYSA-N 323.238 2.487 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)OC(F)(F)O2 1176756119 XMWRVCKIDHRFHQ-UHFFFAOYSA-N 323.251 2.349 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 1177342948 NUOHEPGTJABOAJ-SCRDCRAPSA-N 314.345 2.170 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)c2cc(Cl)c(F)cc2F)C1 2121076656 WETZSGDUMHOGMK-UHFFFAOYSA-N 308.697 2.301 10 10 DECE CC1(C)CC[C@@H](O)[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 1332193222 WCDOSJPELFRJDX-LOWFTVKWSA-N 305.374 2.167 10 10 DECE Nc1ccc(CCOC[C@@H](O)COCc2ccccc2)cc1 1908702435 SXJAETXHGSXGLI-GOSISDBHSA-N 301.386 2.406 10 10 DECE C[C@@H]1C[C@H]1CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 221249300 RXOFKJXYZFEDED-BFHDXFOESA-N 324.222 2.493 10 10 DECE CCN(C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1502403443 SJQHOHHTNCZTDU-UHFFFAOYSA-N 305.382 2.263 10 10 DECE CN1CCCc2cc(CNC(=O)C3=C[S@@](=O)CCC3)ccc21 1544164120 BBUFIXVWXYEDGT-QFIPXVFZSA-N 318.442 2.112 10 10 DECE O=C(C[S@](=O)c1ccc(Cl)cc1)NCc1ccccc1O 1630362981 DVTQHRPLFXHMNU-NRFANRHFSA-N 323.801 2.470 10 10 DECE C[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1O 1632250452 UJCMTPQGHWMFHN-LBPRGKRZSA-N 308.341 2.464 10 10 DECE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(O)c1 1643259290 SHMDIKZFHUVELN-DJWKRKHSSA-N 324.336 2.176 10 10 DECE C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1O 1642824022 BYUYEZIAHSRPNT-LLVKDONJSA-N 316.332 2.139 10 10 DECE CC(C)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1570007676 RQBOBZHPBGBCSY-NSHDSACASA-N 305.382 2.308 10 10 DECE COc1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1 4192478 AZVAWPIQLRRPBY-UHFFFAOYSA-N 323.400 2.060 10 10 DECE O=C(NCc1nccn1Cc1ccccc1)c1ccc(O)c(O)c1 1942382419 VMRYGEDHLPOEQN-UHFFFAOYSA-N 323.352 2.273 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CNC(=O)OCc2ccccc2)C1 1882250529 TVJHLSAIEFIQNB-CYBMUJFWSA-N 317.349 2.214 10 10 DECE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1888178155 YOUJPHLXTCUIBV-RKDXNWHRSA-N 303.338 2.054 10 10 DECE COc1ccc(N2CCNCC2)cc1NC(=O)OC(C)(C)C 1951796823 XOPOLQWHCXEMNI-UHFFFAOYSA-N 307.394 2.452 10 10 DECE CN1C[C@H](c2ccc(OCc3ccccc3)cc2O)NCC1=O 1952010135 VKRWGCGNVSFLPX-MRXNPFEDSA-N 312.369 2.074 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC(=O)NC1 1970965986 LHPIBXQHTSILOQ-JTQLQIEISA-N 303.189 2.409 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1csc(C)n1 2149047120 CIAIPLZPEIDHRL-UHFFFAOYSA-N 311.432 2.245 10 10 DECE CNCc1ccc(N2CC[C@@H](O)[C@H](C)C2)cc1Br 300491631 DBKPWWPOWOFQGQ-QMTHXVAHSA-N 313.239 2.376 10 10 DECE CCOC(=O)c1cnn([C@H](C)c2c(O)cccc2OC)c1O 2070467320 WMCCOVZJHIZPTF-SECBINFHSA-N 306.318 2.089 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1CCN[C@H]2C[C@H]21 1235287470 CRYVROQFJVSBFS-WDEREUQCSA-N 317.614 2.354 10 10 DECE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1cc(Cl)ccc1O 2179903127 VMKMYSYFBDVJFQ-GFCCVEGCSA-N 317.838 2.443 10 10 DECE OCc1ccc(N2C[C@H]3COC[C@@H](C3)C2)cc1Br 2068759229 WLELHPSRELAQHU-QWRGUYRKSA-N 312.207 2.414 10 10 DECE Nc1cccc(Br)c1N[C@H]1CCn2cnnc2C1 2221053048 DUTMHSHROLPNBD-QMMMGPOBSA-N 308.183 2.050 10 10 DECE Nc1ccc(CC(=O)Nc2ncncc2Br)cc1 2222522691 UDCPBYASZLYWQI-UHFFFAOYSA-N 307.151 2.003 10 10 DECE CN[C@H](c1ccccc1O)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2244718213 SVXKGGYFEYFMBK-HUUCEWRRSA-N 324.421 2.271 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H]3CCN[C@@H]3C2)s1 2284634535 CYAXCKPWTSDNOE-CKYFFXLPSA-N 311.476 2.259 10 10 DECE CCCc1cc(O)nc(Sc2ncc(C(=N)NO)s2)n1 2296264837 BLJDHQWDYCYERU-UHFFFAOYSA-N 311.392 2.047 10 10 DECE CS(=O)(=O)c1cscc1COCCc1ccc(N)cc1 2288534737 QOBHVGYOKQGFFK-UHFFFAOYSA-N 311.428 2.493 10 10 DECE CO[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307570265 JSPDJNKVCCMOKS-QMMMGPOBSA-N 302.168 2.114 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccc(Cl)s1 51171083 FNTDSXXVCVBBNG-UHFFFAOYSA-N 323.805 2.111 10 10 DECE C[C@H](N[C@H](C)C[S@](C)=O)c1ccc(N2CCC(O)CC2)cc1 184297525 AJOOIOQTQXLBJU-QLEMLULZSA-N 324.490 2.065 10 10 DECE CCOC(=O)[C@@H]1CCN[C@H]1c1cc(Br)ccc1O 1952825323 ILBUXILRBUFLFK-BXKDBHETSA-N 314.179 2.368 10 10 DECE CN1CC[C@@H](N)[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1O 1952808029 WSIWGWCOUUGCQF-YPMHNXCESA-N 307.394 2.443 10 10 DECE N=[N+]=CC(=O)C[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 96291048 FZGYKAXNGRCXMI-MRXNPFEDSA-N 320.328 2.293 10 10 DECE COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](C)N2CCOCC2)c1 248529722 WZSJOYQJPVCBEL-RDBSUJKOSA-N 308.422 2.161 10 10 DECE CN1CC[C@@]2(CCN(Cc3ccc(N4CCOCC4)cc3)C2)C1 366535213 NJPVSUFZDGQRQA-LJQANCHMSA-N 315.461 2.051 10 10 DECE CS(=O)(=O)CCN(Cc1cc(Cl)c(F)cc1O)C1CC1 293785510 BGLWKZXMUNEKPM-UHFFFAOYSA-N 321.801 2.194 10 10 DECE CC(C)C[C@H](CO)N(C)Cc1ccc(N2CCOCC2)cc1 809767611 PFHXRHGVRNNXJA-GOSISDBHSA-N 306.450 2.362 10 10 DECE COCCN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 816594233 UTPPYJKZAXZEEP-LLVKDONJSA-N 303.761 2.422 10 10 DECE O=C1N[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)[C@H](C2CCCC2)O1 575255777 OHSKVMQMIHSCQW-YPMHNXCESA-N 308.290 2.346 10 10 DECE CC(C)Cn1ccnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 588406646 WFOHZBMDQUDLSI-XQRVVYSFSA-N 315.373 2.280 10 10 DECE CO[C@@](C)(CO)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 848263017 OIUIKZPLFFBWIZ-GOSISDBHSA-N 316.401 2.221 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)Cc3cscn3)C2)cc1 855226205 NZSNGFMSIKDAAB-LBPRGKRZSA-N 317.414 2.089 10 10 DECE Cc1cncc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1 850550787 QROIQQYTYVVSNG-NSHDSACASA-N 302.334 2.292 10 10 DECE C[C@H](NS(=O)(=O)CCOC(C)(C)C)c1ccccc1O 867836361 PTWNEZKUZFYMCB-NSHDSACASA-N 301.408 2.188 10 10 DECE CCOC1CC2(C1)C[C@H]2C(=O)NCc1cc(OC)ccc1O 866767827 YGNVGHNHSMJWCP-UUCFBXCCSA-N 305.374 2.222 10 10 DECE COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 881246203 ONSNQZUZKBHOSY-NSHDSACASA-N 317.393 2.377 10 10 DECE COc1nn(C)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 789325285 GZBLIUXBNKEDOP-LLVKDONJSA-N 317.393 2.377 10 10 DECE OC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1C(F)(F)F 895443169 CIYMZWXEQGBQBQ-WCBMZHEXSA-N 311.250 2.273 10 10 DECE Cc1nn(C(C)C)c(C)c1CC(=O)NCc1cc(O)ccc1O 1176754734 GGGQPTGRNTZGSS-UHFFFAOYSA-N 317.389 2.351 10 10 DECE CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 1652551537 GBHQWABTXQGEQG-NSHDSACASA-N 317.838 2.302 10 10 DECE CCN1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 1334008626 ABYYEMOLFNHSAF-UHFFFAOYSA-N 322.368 2.063 10 10 DECE C[C@@H](NC(=O)CCN1CC[C@@H](F)C1)c1ccc(N(C)C)cc1 1447965018 DIHWYVGAMOFWFU-UKRRQHHQSA-N 307.413 2.364 10 10 DECE CN(CCN1CCCC1)c1ccc(CN)c(Br)c1 228152427 OAYVJYKYPITIJL-UHFFFAOYSA-N 312.255 2.440 10 10 DECE CN1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 1624626533 SPGDKVPYZUTAKX-MRXNPFEDSA-N 301.434 2.197 10 10 DECE CC(C)(C)OC(=O)NOCCNCc1cccc(F)c1O 1928418117 XIYDTRVECPWPMX-UHFFFAOYSA-N 300.330 2.077 10 10 DECE O=[N+]([O-])c1ccc2nc(NCc3cc(O)ccc3O)[nH]c2c1 1651380727 IAFCFOOFPAQBOZ-UHFFFAOYSA-N 300.274 2.494 10 10 DECE O=C(COCCOc1ccccc1)NCc1c(O)cccc1F 1596913145 WLFOOCJDBFAAGS-UHFFFAOYSA-N 319.332 2.243 10 10 DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cc(F)cc(C(F)(F)F)c1 159312318 OZBLGODFRIVRKB-VIFPVBQESA-N 305.235 2.271 10 10 DECE COC(=O)c1ccc(N=c2[nH]nc(CC(C)C)s2)c(O)c1 1859859296 KIGGHNIKCPNSBQ-UHFFFAOYSA-N 307.375 2.394 10 10 DECE Cc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)s1 160233938 GZEUBIXZDIXGMQ-UHFFFAOYSA-N 266.347 1.313 10 10 DECE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](F)C2)c(Br)c1 1944244626 VMIYUDYXACKUAS-KOLSJAJHSA-N 304.159 2.021 10 10 DECE CN(C)c1ccc([C@H](O)CN(CCN)Cc2ccccc2)cc1 1977938553 JQYKHMPEWOKKID-LJQANCHMSA-N 313.445 2.247 10 10 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COc1cccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O 190151959 KHZCVBFCGBPDFC-OLZOCXBDSA-N 319.361 2.054 10 10 DECE CN(CCNCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C 227760471 CCKUGXTZNIDDBA-UHFFFAOYSA-N 324.377 2.077 10 10 DECE Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCOc2ncccc21 255215149 GHYRYPAKOADKGF-WAYWQWQTSA-N 318.764 2.216 10 10 DECE CCCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(F)cc1O 2170593969 KQPSPHSDRIWXLX-GHMZBOCLSA-N 303.399 2.395 10 10 DECE Cc1cc(O)c(CN2CCN3C(=O)OCC[C@H]3C2)cc1Cl 824947964 ACACPPATYIVAIQ-LBPRGKRZSA-N 310.781 2.381 10 10 DECE CCNC(=O)N1CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C1 835042099 GUSMCKMUWNTGBJ-SQRWCISFSA-N 316.449 2.159 10 10 DECE COc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](N)C2)c1O 903982893 ZBZURFPXVAGEQU-QWRGUYRKSA-N 304.312 2.112 10 10 DECE COc1cccc2c1[C@@H](C(=O)NCc1ccc(O)cc1O)CC2 910944565 OLHKZOKABQPGRF-AWEZNQCLSA-N 313.353 2.453 10 10 DECE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C/C=C\c1ccc(N(C)C)cc1 835026083 PLHVYYGDLHFENR-JBZXTQMFSA-N 322.474 2.273 10 10 DECE COc1ccc(CNC(=O)NCC2(N)CCCCCC2)c(O)c1 841916642 KIPZRZPFMBXROW-UHFFFAOYSA-N 321.421 2.252 10 10 DECE COc1ccc(N(C)CCN(C)c2cc(CO)c(F)cn2)cc1 853713190 SBKASAZDWVQQPZ-UHFFFAOYSA-N 319.380 2.294 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@H]1C(F)F 856213635 RFVXHCZXZGPTRW-GJZGRUSLSA-N 324.371 2.165 10 10 DECE CCC(=O)C1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 855223205 GHGYNYQYRIQULR-ZDUSSCGKSA-N 316.401 2.149 10 10 DECE COC(=O)C[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C 932107262 KRIKQLWUGMTNPI-ZYHUDNBSSA-N 323.364 2.365 10 10 DECE CCOC(=O)C1=CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 868806353 AJSUTWQFEDSJMB-WCQYABFASA-N 318.373 2.404 10 10 DECE O=C(c1cc(O)cs1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 765943710 JYAHKEAUOSIEGS-XCBNKYQSSA-N 309.309 2.229 10 10 DECE CC[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 895120823 BSCXQGDCJHFQLH-AWEZNQCLSA-N 320.433 2.453 10 10 DECE CN(C[C@H](O)C1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 897237518 KRPRDCXMHITLAF-LBPRGKRZSA-N 307.371 2.155 10 10 DECE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCOC1 896675802 UEILCRTXQDKOMI-BDAKNGLRSA-N 307.371 2.467 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)C1CC(N)C1 715788902 NFZJMHMZRCJXAP-UHFFFAOYSA-N 303.175 2.215 10 10 DECE Cc1cc(O)c(CN[C@@H]2CCN(c3cnn(C)c3)C2)c(Cl)c1 1345076053 DRJKFKXKQGASQA-GFCCVEGCSA-N 320.824 2.456 10 10 DECE Ic1cc2c(cc1N1CCC1)OCO2 1857522858 VBJAQTXCVFXKJF-UHFFFAOYSA-N 303.099 2.230 10 10 DECE C#CCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)cc1C 1705605270 GPBBYGLFGZXWHN-UHFFFAOYSA-N 311.433 2.469 10 10 DECE COCC1(CNCc2cc(Cl)cc(Cl)c2O)COC1 2138359934 INUVENQSZIRLJN-UHFFFAOYSA-N 306.189 2.452 10 10 DECE CCOc1cccc(CNCC(=O)Nc2ncccc2C)c1O 1857856692 KPHAQBZWERDEDO-UHFFFAOYSA-N 315.373 2.223 10 10 DECE CC(C)CN(CCO)c1ccc(CN)cc1Br 1948647303 VWCPGSFWKXXMHQ-UHFFFAOYSA-N 301.228 2.363 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1900608152 WTIYGLMFWZBXLJ-IAQYHMDHSA-N 323.397 2.402 10 10 DECE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1888178152 YOUJPHLXTCUIBV-BDAKNGLRSA-N 303.338 2.054 10 10 DECE Nc1ccc(CCC(=O)Nc2nc(Cl)nc(Cl)n2)cc1 2145168710 XKKVMWWXFOQQML-UHFFFAOYSA-N 312.160 2.332 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@H](C2CC2)C(F)(F)F)cc1 2146370456 RFHPXCUTVSZSLT-LLVKDONJSA-N 308.325 2.029 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)C[C@H]1CC[C@H](F)C1 2150392232 WUFPVRHFLGKGLJ-STQMWFEESA-N 300.399 2.169 10 10 DECE C[C@H](N)c1ccc(N2CC(O)(C3CC3)C2)c(Br)c1 384081878 ZAYCOZQMLPILAH-VIFPVBQESA-N 311.223 2.430 10 10 DECE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1cc(Cl)ccc1O 2179903128 VMKMYSYFBDVJFQ-LBPRGKRZSA-N 317.838 2.443 10 10 DECE COc1ccc(O)c(Cn2ncc(C(=O)OC(C)(C)C)c2O)c1 2070491620 AFBJSTKNJBCPCO-UHFFFAOYSA-N 320.345 2.307 10 10 DECE O=C(NCCc1ccsc1Cl)c1cc(O)c(O)c(O)c1 2195402724 AVZKKIQGWPHMBW-UHFFFAOYSA-N 313.762 2.491 10 10 DECE O=C1Nc2cc(N3Cc4ncsc4C3)c(Cl)cc2[C@H]1O 2201390933 FRCYLHQGFBIZNM-GFCCVEGCSA-N 307.762 2.302 10 10 DECE CN1CCc2cc([C@H](N)c3nn(C)cc3Br)ccc21 2106860295 RIXISWGBEIUKOJ-ZDUSSCGKSA-N 321.222 2.223 10 10 DECE N=c1cc(NCCc2ccc(O)c(O)c2)c(Br)c[nH]1 2091754988 NBSPPWZJBXBXII-UHFFFAOYSA-N 324.178 2.322 10 10 DECE CN(C[C@]1(F)CCOC1)c1ccc(CN)cc1Br 2222367634 XEHNLMKZOIUGLO-CYBMUJFWSA-N 317.202 2.473 10 10 DECE CC(C)C[C@@H](NCc1cccc(Br)c1O)C(N)=O 2253502404 VMGKYKFLLPQECY-LLVKDONJSA-N 315.211 2.144 10 10 DECE CSc1ncc(CNC[C@@H](C(=N)NO)C(F)(F)F)s1 2269260639 OGCBMPVRWXLONM-LURJTMIESA-N 314.358 2.089 10 10 DECE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)[nH]1 2297343210 GRJGUNMDRLQOCA-UHFFFAOYSA-N 323.352 2.294 10 10 DECE [N-]=[N+]=NCCNC(=O)c1cc(F)c(Br)cc1O 2301412617 OYLBJKCYLALBTG-UHFFFAOYSA-N 303.091 2.334 10 10 DECE COCCC1(CNC(=O)C=Cc2ccc(O)c(O)c2)CCC1 2308002158 BFBKMBHJTYKATJ-UHFFFAOYSA-N 305.374 2.434 10 10 DECE Cc1ccc(C)c(S(=O)(=O)NCc2cc(N)ccc2O)c1 36742790 WKIFRZYTNZZPFR-UHFFFAOYSA-N 306.387 2.070 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1c1cccc(O)c1O 1952822821 DLATVMJMJIJHFJ-CMPLNLGQSA-N 323.345 2.481 10 10 DECE COc1ccc(CN2CCN(Cc3ccccn3)CC2)c(O)c1 121974213 BEFBDDGVKGTJLH-UHFFFAOYSA-N 313.401 2.114 10 10 DECE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 130974642 OKWIJOKHRYWRHQ-SECBINFHSA-N 323.374 2.258 10 10 DECE CC[C@@H](N)Cc1cccc2c1ccn2CCCS(C)(=O)=O 80356487 NEXNINULZSMCPG-CQSZACIVSA-N 308.447 2.356 10 10 DECE CCOc1cccc(CN2C[C@@H](C)N(CCOC)[C@H](C)C2)c1O 93478935 ISUOVYRTMFXLSE-HUUCEWRRSA-N 322.449 2.332 10 10 DECE Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c(O)c1O 804373803 ZXHNWBDFIXHJJN-WPRPVWTQSA-N 319.279 2.198 10 10 DECE O=C(c1cccc(O)c1O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O 388709900 XXMOOBIBNAHUFT-MRVWCRGKSA-N 305.374 2.254 10 10 DECE COc1ccc(CNC(=O)N[C@H]2CCCC2(F)F)c(O)c1 807597177 XSBRUTMBSCTRER-LBPRGKRZSA-N 300.305 2.388 10 10 DECE Cc1nn(C)c(C)c1CC(=O)NCc1ccc2cccnc2c1O 818034340 PSXAJPKWVRBQMQ-UHFFFAOYSA-N 324.384 2.150 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H](N3CCOC3=O)C2)cc1 826999916 DLYGWDIPUNVVMN-REMYHPOOSA-N 315.417 2.292 10 10 DECE CO[C@@]1(CNC(=O)NCc2ccc(N(C)C)cc2)CCSC1 902931792 MPXDYYICTXFTBN-MRXNPFEDSA-N 323.462 2.074 10 10 DECE C[C@H]1Cc2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 668285953 VXDPXIJDPXXUSX-NSHDSACASA-N 307.353 2.415 10 10 DECE CC(C)N1C(=O)CN(C(=O)Nc2ccc(N)cc2)CC1(C)C 841301090 ZQBBYWKCALMVNW-UHFFFAOYSA-N 304.394 2.132 10 10 DECE Cc1cc(C(=O)N2C[C@H]3CC[C@H]2CN3)c(C)n1-c1ccccn1 842515898 YIYOSCZWXRXRHK-CABCVRRESA-N 310.401 2.066 10 10 DECE N[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C12CCC2 925715108 DGZRMQIHMVBTIY-QZTJIDSGSA-N 315.461 2.007 10 10 DECE OC1CCC(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 850394858 GQGVAGZZMLQRJN-UHFFFAOYSA-N 322.424 2.303 10 10 DECE CC[C@@H](N[C@@H]1CNOC1)c1cc(Br)ccc1O 925861543 DZHRCVZOHRYDOK-MWLCHTKSSA-N 301.184 2.099 10 10 DECE CO[C@H](CNCc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 850342087 HNFHCTXOMMKDJL-NOZJJQNGSA-N 303.761 2.326 10 10 DECE O=S(=O)(CCc1cccs1)N1Cc2cccc(O)c2C1 867691517 YWYCACVFUJLQKF-UHFFFAOYSA-N 309.412 2.342 10 10 DECE O=C(NCc1c(O)cccc1F)Nc1cc2n(n1)CCCC2 931398902 HYCDNOUHFQLVSG-UHFFFAOYSA-N 304.325 2.386 10 10 DECE CCO[C@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)C1CC1 867834011 CIRZJEVYTSABRH-IAQYHMDHSA-N 313.419 2.188 10 10 DECE Cc1nc(NCc2ccc(N(C)C)cc2C)nc(N(C)C)n1 768522228 MMTPEWDBVDSNFZ-UHFFFAOYSA-N 300.410 2.233 10 10 DECE C[C@@H](C(=O)NCc1cc(Br)ccc1O)n1ccnc1 1117460476 WTWRRIMMYBBJAN-VIFPVBQESA-N 324.178 2.229 10 10 DECE CCNC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nn1 772299926 JAQNMGKXQJDRJX-GFCCVEGCSA-N 313.405 2.465 10 10 DECE Cc1ccc(CCC(=O)OCC(=O)c2ccc(O)c(O)c2)o1 783962267 KPHMODBZEAQLCC-UHFFFAOYSA-N 304.298 2.358 10 10 DECE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(OC)c(C)c1 895863095 KRVSHETYZBHVNQ-GJZGRUSLSA-N 307.390 2.204 10 10 DECE Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1 784683685 GEBIAUMIMCXFLU-QPJJXVBHSA-N 313.309 2.241 10 10 DECE NCc1ccc(N2CC3CC2(CO)C3)c(F)c1Br 694559442 GQYKOUPLKDPROX-UHFFFAOYSA-N 315.186 2.008 10 10 DECE CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O 1171660324 XOUHSEANRXIDGN-OPRDCNLKSA-N 324.808 2.346 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[C@@H](F)C2)cc1 1349137363 IIGHYSHNLBVMSJ-SQWLQELKSA-N 307.413 2.397 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)[C@]1(O)CCSC1 1456309955 NMNKCIDSDSPMAU-INIZCTEOSA-N 303.383 2.030 10 10 DECE CCOc1ccc(N(C)Cc2csc(CC(=O)NC)n2)cc1 1460736814 LJIYASZYMAMCHH-UHFFFAOYSA-N 319.430 2.467 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cncc(Br)c1 1469159066 JXIJPRRQEPFMGP-UHFFFAOYSA-N 323.146 2.185 10 10 DECE COC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1cccc(OC)c1 1629427508 RULCDMSQTAFHOE-ZDUSSCGKSA-N 321.354 2.106 10 10 DECE Cc1cn(C)nc1C(=O)NCc1cccc(Br)c1O 1568606221 YZDKOGCFIUDLHN-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Cc1ccc(C(=O)NCCCN(C)c2ccccn2)c(O)c1O 1633060966 VQCCMUVEJQQIQR-UHFFFAOYSA-N 315.373 2.058 10 10 DECE COc1cc(C)cc(CN2CCC(N(C)C(C)=O)CC2)c1O 164235765 KQTHQXKTJPZQKX-UHFFFAOYSA-N 306.406 2.152 10 10 DECE CCN1CCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)CC1 1860486336 YHCZGXIIRVVNCV-VHEBQXMUSA-N 316.453 2.075 10 10 DECE O=S1(=O)CCC[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21 2145075053 ZDESFQPIWKUKGO-QMTHXVAHSA-N 315.822 2.055 10 10 DECE COc1cccc([C@](C)(NC(=O)OC(C)(C)C)C(=O)O)c1O 1951735314 AFTCNIJEZGEKJU-HNNXBMFYSA-N 311.334 2.225 10 10 DECE CC1(C)CN(Cc2ccc(Br)cc2O)[C@H]1C(=O)O 1968204080 NTVILKBHOKTLIC-NSHDSACASA-N 314.179 2.450 10 10 DECE CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1 1985101062 NKBHKPUZYJPQKC-JTQLQIEISA-N 324.385 2.090 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153843947 AAIHCHAVCXBVHK-TVQRCGJNSA-N 317.838 2.405 10 10 DECE CNCc1ccc(N2CC[C@@H]([C@H](C)O)C2)cc1Br 300492354 HKJDQFLXEWILOQ-CMPLNLGQSA-N 313.239 2.376 10 10 DECE Nc1ccc(N2C(=O)Cc3occc3C2=O)c(Br)c1 311470105 ILWGDHKYBNEPAD-UHFFFAOYSA-N 321.130 2.354 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CS4)c(Cl)cc21 320926866 FMWNIOPZLCJXKA-DAROEXNTSA-N 309.822 2.247 10 10 DECE CO[C@H]1COCC[C@H]1NCc1ccc(Br)cc1O 691490392 VVIYRYNJWYCCBF-YPMHNXCESA-N 316.195 2.048 10 10 DECE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)cc1Cl 2167831241 HPXCCQKNBZXOHD-UHFFFAOYSA-N 316.854 2.202 10 10 DECE Cc1noc(CN(C)c2ccc(CN)c(Br)c2)n1 2042266226 BULCKBVJQWLIBM-UHFFFAOYSA-N 311.183 2.236 10 10 DECE C[C@H](N=c1[nH]nc(Br)s1)c1ccc(O)cc1O 2213669111 GUGPTQRNRCXLRV-YFKPBYRVSA-N 316.180 2.307 10 10 DECE CN=c1[nH]c(C2CC2)cc(=NCc2cnc(SC)s2)[nH]1 2284730157 YPJZXAJUZZJHKI-UHFFFAOYSA-N 307.448 2.030 10 10 DECE CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CN)cc1Cl 2285296295 PVJWVRZJRFBFNW-UHFFFAOYSA-N 316.854 2.058 10 10 DECE Cc1cccn2cc(CNC(=O)C=Cc3ccc(O)c(O)c3)nc12 2307987378 YBTCHUUUTMSXMI-UHFFFAOYSA-N 323.352 2.384 10 10 DECE COCCCN1C(=O)/C(=C/c2ccc(F)nc2)SC1=S 189423058 VYQBDQOUQHWUOT-YFHOEESVSA-N 312.391 2.458 10 10 DECE Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(O)c1O 182824836 XFIGDWZHKAEASA-SJCJKPOMSA-N 305.374 2.173 10 10 DECE Cc1cccc([S@@](=O)CC(=O)N(C)c2ccc(N)cc2)c1 40972362 KZQQCZWURBFRSV-OAQYLSRUSA-N 302.399 2.348 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(O)c(O)c2)C1 227541823 HOAOKSGYRHOGFG-CYBMUJFWSA-N 322.405 2.444 10 10 DECE CC[C@@H](N)c1cc(I)cc(OC)c1O 238274755 BQRMGTRENFOCOZ-MRVPVSSYSA-N 307.131 2.415 10 10 DECE COC(=O)c1ccc(NCc2cccc(OC)c2O)nc1OC 274850180 XUORCFNGHJSQTM-UHFFFAOYSA-N 318.329 2.203 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@H](CS(C)(=O)=O)C2)c1O 292781197 LKLRIHRJVJKTNI-NSHDSACASA-N 317.838 2.221 10 10 DECE Cc1cc(Br)cc(CN2C[C@H]3CC[C@H]2CN3)c1O 817865438 TVNKBWCLBPRXJS-OLZOCXBDSA-N 311.223 2.399 10 10 DECE O=S1(=O)CCN(Cc2cccc(Cl)c2O)[C@@H]2CCC[C@H]21 825200656 FXEKSXJXPBSUES-CHWSQXEVSA-N 315.822 2.197 10 10 DECE C/C(=C/c1ccccn1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 848394066 MODNXKMAJMKJLM-RXXLQFRUSA-N 324.428 2.367 10 10 DECE COc1ccc(N2CCC(N[C@H]3CN(C)C[C@@H]3C)CC2)cc1 756113311 GZWYYMKLIGMSFG-KSSFIOAISA-N 303.450 2.204 10 10 DECE COc1ccc(N2CCCN(CCOC(F)F)CC2)cc1 851733045 IOKRLWDGKXFEGH-UHFFFAOYSA-N 300.349 2.447 10 10 DECE Cc1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 850406269 ZLYRFQBGTVBCPE-UHFFFAOYSA-N 312.417 2.036 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCNC23CCC3)c1O 863482776 KXUGVXKSOVOOAU-GFCCVEGCSA-N 311.769 2.328 10 10 DECE CCO[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 862158452 HPVIGMBMSDKCQS-WMLDXEAASA-N 320.433 2.451 10 10 DECE CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1119018724 PSLVRUOCLNGGQG-CYBMUJFWSA-N 316.401 2.129 10 10 DECE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)Cn1ccnc1 1136892979 MGASEXMJNWAWEV-LLVKDONJSA-N 314.349 2.112 10 10 DECE Cc1cccc(CNCc2cn(C)nc2Br)c1O 720647491 BVTWAJPRYIDKQD-UHFFFAOYSA-N 310.195 2.486 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC(=O)C[C@H]2C2CC2)cc1 1452439178 MSQGMJDJDOVFNR-AWEZNQCLSA-N 314.345 2.433 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1Cc2cccnc2C1 1528408854 HPEIKGGOKOTQDW-ZDUSSCGKSA-N 317.385 2.304 10 10 DECE COC(=O)c1coc(C(=O)NCc2cccc(Cl)c2O)c1 1606860991 WFQSPROFJQSJCA-UHFFFAOYSA-N 309.705 2.355 10 10 DECE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 1471975422 ZMIMVTHGOZAAEX-UHFFFAOYSA-N 303.289 2.248 10 10 DECE O=C(/C=C/c1ccc2c(c1)OCO2)NCc1c(O)cccc1O 1472063840 QNLDSIGGBMBAMJ-FNORWQNLSA-N 313.309 2.156 10 10 DECE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccn(C)n1 1629621636 AMVOHGNSRBISGA-SECBINFHSA-N 300.322 2.074 10 10 DECE COc1ccc(CN[C@H](CO)CNC(=O)CC(C)(C)C)cc1C 1734362826 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303.175 2.215 10 10 DECE CN1[C@H]2CC[C@@H]1CN(Cc1cc(Br)ccc1O)C2 723686486 QKUYPPBCPPKANE-BETUJISGSA-N 311.223 2.433 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)O)cc2Cl)C1 2179898267 FPMHQMFCFUFSCI-CMPLNLGQSA-N 317.838 2.407 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@@H](C)O)c(Cl)c2)C1 2179901141 YJZQFDAZYAUJLE-ZYHUDNBSSA-N 317.838 2.407 10 10 DECE COC(=O)c1cnn(Cc2cccc(Br)c2O)c1 2069960641 XQWLDFFQPHSOSD-UHFFFAOYSA-N 311.135 2.186 10 10 DECE COc1ccc(O)c(CNCc2conc2Br)c1 2222848346 KSKDIUJGVBWCHH-UHFFFAOYSA-N 313.151 2.441 10 10 DECE C[C@@]12CN(c3ccc(CO)cc3Br)C[C@@]1(CO)C2 2046804266 YAQPQIBBZULWBU-ZIAGYGMSSA-N 312.207 2.150 10 10 DECE NC[C@@H]1C[C@H]2CC[C@H]1N2Cc1c(O)cccc1Br 2053974420 WCKFNTBDNLQZHT-OPQQBVKSSA-N 311.223 2.466 10 10 DECE CN[C@H]1CN(Cc2c(O)cccc2Br)CC12CC2 2085078140 KNJGWJCOANREJS-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE O=C1Nc2cc(N3CC[C@@H]3C3CC3)c(Br)cc2[C@H]1O 2088662453 PBSKPAFUCNPCJD-DGCLKSJQSA-N 323.190 2.423 10 10 DECE CSc1ncc(CNC(=O)[C@H](CN)c2ccccc2)s1 2284501485 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Cc1cn2c(n1)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CC2 378638638 ROVKREDIJOLFRM-UHFFFAOYSA-N 322.752 2.475 10 10 DECE Cc1cc(NS(=O)(=O)c2sc(N)nc2C)c(C)cc1O 722227231 WIDQZHYRLBYLOW-UHFFFAOYSA-N 313.404 2.157 10 10 DECE Oc1cc(I)cc(Br)c1O 575687959 ZXMMYTANVMBKLW-UHFFFAOYSA-N 314.904 2.465 10 10 DECE c1cnc2nc(CNCCCSc3nccs3)cn2c1 838962653 OAAXDZJDXFQKIH-UHFFFAOYSA-N 305.432 2.458 10 10 DECE CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ccnn2C)c1 846116269 RIJYZEHDYLZBCZ-MRXNPFEDSA-N 317.389 2.098 10 10 DECE O=C(NCC1CNC1)N(Cc1ccccc1O)C1CCCCC1 841965495 GUUYMZIKCBTOAO-UHFFFAOYSA-N 317.433 2.456 10 10 DECE C[C@]1(CCNC(=O)C(=O)Nc2ccc(N)cc2)C[C@]1(F)Cl 846319464 HNRHSQCUUCVFER-UONOGXRCSA-N 313.760 2.028 10 10 DECE Nc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C2CCC2)cc1 843053517 ABPHSOKFKPWLSJ-OAHLLOKOSA-N 301.390 2.389 10 10 DECE Cc1ccc(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)s1 843299423 TYCALMZBXMVSBH-MRXNPFEDSA-N 317.458 2.481 10 10 DECE COC(=O)/C=C/c1ccc(N2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 853861484 BQAMNQVCUUQAEO-JHLBCPEASA-N 320.345 2.131 10 10 DECE C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc([N+](=O)[O-])ccc1O 850498894 FKLUIKZZAMEEIO-AUTRQRHGSA-N 303.322 2.249 10 10 DECE COc1ccccc1[C@H](O)CNCc1cccc(OC)c1O 853092913 URRDSUQQBOVUTQ-CQSZACIVSA-N 303.358 2.233 10 10 DECE COC(=O)COc1ccc(N(C)C[C@@H](OC)C2CCC2)cc1 851925045 UBLSRKFGKSSSRE-MRXNPFEDSA-N 307.390 2.490 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)C3=COCCC3)C2)cc1 855231051 SSOQXRVRUVGNRY-AWEZNQCLSA-N 302.374 2.084 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC3=C(CCC(=O)N3)C2)c1O 852299699 YTLKCFSXLQIEOD-UHFFFAOYSA-N 318.348 2.104 10 10 DECE COC(=O)/C(C)=C\COc1ccc(N(C)C)c(C(=O)OC)c1 865396665 YLAPQZPPGZOKPM-FLIBITNWSA-N 307.346 2.037 10 10 DECE CC[C@H](C(=O)Nc1ccc(N)cc1)N(C)C1CCN(C)CC1 62460810 MGRXDYKJXAXKPU-MRXNPFEDSA-N 304.438 2.012 10 10 DECE C[C@@H]1O[C@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 782920091 YXSWWMICDMBXIW-RDBSUJKOSA-N 305.422 2.460 10 10 DECE COC[C@H](NCc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 895859656 UZZGEEQKFYJYCA-ZFWWWQNUSA-N 309.406 2.240 10 10 DECE 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C[C@@H]1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C[C@H]1C 227462845 QUIBIOYKOIIFRN-OTPXZMOZSA-N 324.222 2.493 10 10 DECE COc1ccc(CNC2CC(CNC(=O)C(F)F)C2)cc1C 1707285940 OKIPTGKVPMWQGA-UHFFFAOYSA-N 312.360 2.253 10 10 DECE CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1545998613 WVSJKWDXKAIJLI-GFCCVEGCSA-N 304.350 2.225 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2ccccc2CO)cc1 1636127069 DLAKHDWLHUGMFG-UHFFFAOYSA-N 312.329 2.271 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H](O)C1 1961758111 VSRHYXGEFNUTAH-KBPBESRZSA-N 307.394 2.051 10 10 DECE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C/NCc1ccccc1 17055786 QMWJYIGRKXBBPN-LFIBNONCSA-N 321.384 2.490 10 10 DECE Cc1ccc(O)c(CN2CCn3c(nnc3C(F)(F)F)C2)c1 156044021 STFCMHYJJODSJY-UHFFFAOYSA-N 312.295 2.327 10 10 DECE CCOc1cccc(CNCC(=O)N2CCCC[C@@H]2C)c1O 1857866824 FWKCVPWXMFOQJU-ZDUSSCGKSA-N 306.406 2.282 10 10 DECE CN1C(=O)CNC[C@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952057572 UXNTVAHIRJCJLD-ZETCQYMHSA-N 309.580 2.455 10 10 DECE Oc1c(F)cc(Br)cc1[C@H]1NCCCC[C@@H]1O 1952067320 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C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1O 1642827444 IVTYEVWJYGAGMP-JTQLQIEISA-N 318.333 2.109 10 10 DECE CC(=O)Nc1c(C)cccc1C(=O)NCc1cc(O)ccc1O 1644752317 ANDHNVUIRYVVKQ-UHFFFAOYSA-N 314.341 2.295 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ncc2ccccc2c1O 1643881753 DDBGGVANTBIDMB-UHFFFAOYSA-N 310.309 2.282 10 10 DECE c1cc(N2CC(NCc3ccc(N4CCCC4)cc3)C2)ncn1 1651456148 SHKZOIBIXRRHPO-UHFFFAOYSA-N 309.417 2.055 10 10 DECE Cc1c(N)cccc1S(=O)(=O)Nc1cccc(N(C)C)c1 161062561 CSCBOWAAECFQER-UHFFFAOYSA-N 305.403 2.444 10 10 DECE CN(CCCCN=[N+]=[N-])Cc1c(Br)nnn1C 1950454671 NXEIRTIHIKGBPH-UHFFFAOYSA-N 302.180 2.100 10 10 DECE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(Cc2ccc(N)cc2)C1 1977926397 MLSVAIJOMRWPDH-GXFFZTMASA-N 315.339 2.158 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2ccc(N)cc2)C1 1981507604 GADSPMJARVBRTB-IUODEOHRSA-N 321.421 2.299 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1985093486 AHZHEKGOFYXPNY-QJPTWQEYSA-N 323.397 2.258 10 10 DECE CC(C)NCc1ccc(N(C)C2CS(=O)(=O)C2)cc1Cl 2152239748 NTDJVDOWDYTQEP-UHFFFAOYSA-N 316.854 2.071 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1nnc(Br)s1 2011526187 IXHIDHLNVHMQDE-YFKPBYRVSA-N 317.172 2.216 10 10 DECE OCc1ccc(N2C[C@@H](O)[C@@H](C3CC3)C2)cc1Br 2030224739 YZABNIPDHSYNCJ-TZMCWYRMSA-N 312.207 2.149 10 10 DECE N[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1C(F)F 2040873163 AGTCELTYSQRHMW-WCBMZHEXSA-N 321.165 2.179 10 10 DECE Cn1cc(CCNCc2ccc(Br)cc2O)cn1 691461034 FLDNWZGIFOPSAN-UHFFFAOYSA-N 310.195 2.221 10 10 DECE Cc1ccc(O)c(CNCc2nn(C)cc2Br)c1 393321010 ACZIVRYLQIMSJA-UHFFFAOYSA-N 310.195 2.486 10 10 DECE CCOC(=O)c1c(C)nn([C@@H](C)c2ccc(OC)cc2O)c1N 2079969611 GLCOIWAYTSIBPX-JTQLQIEISA-N 319.361 2.274 10 10 DECE COc1ccc([C@H](C2CCC2)n2nc(C)c(CO)c2N)c(O)c1 2079977605 OQVOSDVXOLFQSU-INIZCTEOSA-N 317.389 2.370 10 10 DECE CN[C@H](c1ccccc1O)[C@@]1(O)CS[C@H](C(F)(F)F)C1 2189224679 MMZGYWYBTNPAAL-TUAOUCFPSA-N 307.337 2.452 10 10 DECE O=[N+]([O-])c1ccc(N2CCSCC(F)(F)C2)cc1CO 2193333495 TZCHBVFPMHNGQW-UHFFFAOYSA-N 304.318 2.276 10 10 DECE NCc1ccc(N2CC3(CC[C@@H]3O)C2)c(F)c1Br 2059151763 ANPQOBDKWQFPPP-JTQLQIEISA-N 315.186 2.008 10 10 DECE CCn1cc(Br)c(=NCc2ccc(O)cc2O)[nH]1 2060840853 RQHJHVDDKFLEBL-UHFFFAOYSA-N 312.167 2.111 10 10 DECE [N-]=[N+]=NC1CCN(C(=O)c2nccnc2Br)CC1 2256100691 ZPTLBCHHWYEWPL-UHFFFAOYSA-N 311.143 2.154 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cnnc(Br)c2)C1 2260918415 OIMMJQWUUNCJFO-MRVPVSSYSA-N 311.143 2.154 10 10 DECE CSc1ncc(CNC(=O)N2CCC[C@@H]2CC(=O)O)s1 2284545046 VPXYURHBMWAJDP-MRVPVSSYSA-N 315.420 2.014 10 10 DECE CSc1ncc(CN=c2[nH]c(C3CC3)nc(N)c2C)s1 2284727396 MKROBTUPJBMXIM-UHFFFAOYSA-N 307.448 2.457 10 10 DECE O=C1N[C@H](c2cccc(Br)c2O)N2CCCC[C@@H]12 124874373 LMKLYWCORSVSBI-JQWIXIFHSA-N 311.179 2.138 10 10 DECE CC[C@H]1CC[C@@H](C)N1S(=O)(=O)CCOc1ccc(N)cc1 135940501 WLZICRRAZBMJTA-OCCSQVGLSA-N 312.435 2.240 10 10 DECE NCCc1cc(O)c(O)c(Br)c1Br 44399180 IHMCYIDWRREOER-UHFFFAOYSA-N 310.973 2.124 10 10 DECE COc1ccc(O)c(CNCC(C)(C)C(=O)N2CCCC2)c1 529678246 LUXRGWXCEPFRNH-UHFFFAOYSA-N 306.406 2.139 10 10 DECE OC[C@H]1CC(F)(F)CN1Cc1cc(Br)ccc1O 364648937 DOYDLPAVRJARKV-SNVBAGLBSA-N 322.149 2.357 10 10 DECE CC(=O)C(=O)COC(=O)c1nn(-c2ccccc2Cl)cc1C 808532924 QNKAJFAHDHRKAH-UHFFFAOYSA-N 320.732 2.149 10 10 DECE Oc1cc(F)c(Cl)cc1CNCCN1CCSCC1 293678184 REEXRPRMXWSXLL-UHFFFAOYSA-N 304.818 2.323 10 10 DECE Cc1cc(Cl)cc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1O 290968311 SGNLWOJPWQUZBF-PHIMTYICSA-N 317.838 2.361 10 10 DECE CN(C)C(=O)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1 295000549 UUCMADGDLWMWDL-UHFFFAOYSA-N 314.788 2.485 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC34CC4)C2)cc1 819587594 NNWDPJDEADLEQW-CJNGLKHVSA-N 300.402 2.438 10 10 DECE O=S1(=O)CC(CCNCc2ccc3ccccc3c2O)C1 816588744 YBIVJPGLISLSBO-UHFFFAOYSA-N 305.399 2.070 10 10 DECE CCN1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O 825693333 XJUJMFOFXBDZPL-UHFFFAOYSA-N 306.406 2.320 10 10 DECE COc1cc(Cl)cc(CN2CCC3=C(CCC(=O)N3)C2)c1O 826785512 VJZUWJCPIGMOGZ-UHFFFAOYSA-N 322.792 2.424 10 10 DECE C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)CCN1C 588406567 DBPFASWTNHEQDG-QZWGFMDZSA-N 304.390 2.052 10 10 DECE CN(C)c1ccc(/C=C/CN2CCC3(CC2)COC(=O)N3)cc1 835048249 OPOCUVJBGPWIMF-ONEGZZNKSA-N 315.417 2.340 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(CCOC3)C2)cc1 836244895 ZVAFTEDFCLINLL-GOSISDBHSA-N 317.433 2.465 10 10 DECE C[C@@]12CCN(C(=O)NCCc3ccc(N)cc3)C[C@H]1C2(F)F 841955394 AHSDYLYZJCBIAQ-UKRRQHHQSA-N 309.360 2.498 10 10 DECE O=C(NCC[C@H]1CCNC1)NCc1ccc(N2CCCC2)cc1 841709458 GPJOSFGYJQPNAA-MRXNPFEDSA-N 316.449 2.086 10 10 DECE Cc1cc(CC(=O)NOCCN(C)C)c(C)n1-c1ccccc1 854689221 AVAXJDGMRFRWDJ-UHFFFAOYSA-N 315.417 2.246 10 10 DECE CN(C)c1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1F 851627273 KIGABWBSWPYSDN-UHFFFAOYSA-N 305.397 2.170 10 10 DECE CO[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CCCC1 852791831 NHTWAGODDXFPLZ-DLBZAZTESA-N 319.449 2.074 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccnn2C)c1 869178991 LOYHBTGSAGERLF-MNOVXSKESA-N 318.377 2.256 10 10 DECE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(O)c1O 862301303 DZQRYHIZSHWMIJ-QGZVFWFLSA-N 321.373 2.434 10 10 DECE Cc1cc(C(=O)NCc2cccc(Br)c2O)cnn1 765747630 QDFKOYXPHLPQMA-UHFFFAOYSA-N 322.162 2.183 10 10 DECE O=S(=O)(C[C@@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 867690204 CMURCVNOEAVVNB-NSHDSACASA-N 317.357 2.473 10 10 DECE Cc1cc(Br)c(O)c(CN(CCO)C2CC2)c1 781897199 PRUNPUVZDWUBKY-UHFFFAOYSA-N 300.196 2.420 10 10 DECE COC(=O)[C@@H]1[C@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F 894207990 CELCVDVORIJDLR-GWCFXTLKSA-N 316.323 2.036 10 10 DECE COCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 898435960 IYLOTUFLIMDFMR-UHFFFAOYSA-N 307.371 2.469 10 10 DECE COC(=O)c1c(CNC[C@@H]2CCCO2)c2cc(F)ccc2n1C 894146221 QEKYLIYRLGEWRC-LBPRGKRZSA-N 320.364 2.373 10 10 DECE Cc1ncc(CNCc2cc(Br)ccc2O)n1C 689201093 OTINHKJZFKQNAF-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccsc1 1138680606 JIWNUFJPVDSOIT-NSHDSACASA-N 321.354 2.112 10 10 DECE CSc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1C 790199860 MTLVLEDBDGNULD-UHFFFAOYSA-N 304.419 2.138 10 10 DECE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1O 1151900660 VOFHYTYXTNVVEP-VIFPVBQESA-N 301.302 2.374 10 10 DECE COc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1C 1156885960 QGFIWGOUBGNQOF-UHFFFAOYSA-N 317.341 2.110 10 10 DECE COCCC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 1328023401 HRBKCBDIPULKJG-UHFFFAOYSA-N 309.385 2.070 10 10 DECE C[C@@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)/C=C/c1ccc(O)c(O)c1 1329650911 BQLQTORACSXDNU-OFHOTVGPSA-N 301.342 2.080 10 10 DECE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 1330379520 NOJNSOHALILHLT-UHFFFAOYSA-N 302.374 2.026 10 10 DECE COCC(=O)N[C@H]1CC[C@H](NCc2ccc(OC)c(C)c2)CC1 1267919987 DXOSTDDVGHILFA-WKILWMFISA-N 320.433 2.167 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C2 1900606912 IKLPSAUMKTWGQF-ZIBATOQPSA-N 323.397 2.449 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 1297967120 FFKVMZVTLDFPGC-LLVKDONJSA-N 304.350 2.396 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1nncn1-c1ccccc1 1469309533 ANORIAROJSJPNQ-VQHVLOKHSA-N 322.324 2.330 10 10 DECE Cc1ccc(NC(=O)CCN2C(=O)CSC2=S)c(C)c1 1865768327 KGZYXBZTGAZAMV-UHFFFAOYSA-N 308.428 2.492 10 10 DECE CC(C)(C)OC(=O)C1(NC(=O)c2cccc(O)c2O)CCCC1 1629661382 KXRIGWXJWLFQOL-UHFFFAOYSA-N 321.373 2.482 10 10 DECE Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc(O)c(O)c2)o1 1627981519 NADDMGUZHXYPLE-CYBMUJFWSA-N 317.341 2.142 10 10 DECE C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)N1CCCCC1 1556167087 WOZLRUYXYVTCLN-ZDUSSCGKSA-N 306.406 2.021 10 10 DECE O=C(CSc1cccc[n+]1[O-])NCc1cccc(Cl)c1O 1648606213 LBZLWGYFSXNFGD-UHFFFAOYSA-N 324.789 2.088 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(CC)CCCO)c(Cl)cc21 165218861 TVYBJDXMDCOVJI-CQSZACIVSA-N 311.813 2.151 10 10 DECE CCOc1cccc(/C=C2/SC(=S)N(CCO)C2=O)c1 1858588285 XMJFRIONOHJIAH-FMIVXFBMSA-N 309.412 2.279 10 10 DECE Cc1c(Br)c[nH]c(=NCCc2ccc(N)cc2)c1N 1876398153 VPZDBXVELKHWID-UHFFFAOYSA-N 321.222 2.393 10 10 DECE C[C@H](c1ccccc1O)N(C)C(=O)CONC(=O)OC(C)(C)C 1968793405 WUCAQWIKKOKDPE-LLVKDONJSA-N 324.377 2.368 10 10 DECE Oc1cccc(Br)c1CN1CCOC[C@@H]1CF 1971805927 WBXCUJJCQAQXBL-VIFPVBQESA-N 304.159 2.325 10 10 DECE CNCc1ccc(OCCC[C@H](C)S(=O)(=O)O)c(C)c1 2155519394 QGLMNBKCKFLHLB-LBPRGKRZSA-N 301.408 2.150 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)c(Br)c1 2030275912 UTBRGLRHVLSZEH-LSJOCFKGSA-N 311.223 2.143 10 10 DECE C[C@@H](OCc1ccccc1)C(=O)NCCOc1ccc(N)cc1 404450458 NRVSQXWEJWUDKW-CQSZACIVSA-N 314.385 2.369 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](C(F)F)C3)c(Cl)cc21 707145097 BWUGIWZSHKZNJI-KGFZYKRKSA-N 301.724 2.383 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1Cc2nncn2C1 2167744665 GXQZSEDZRCYFBX-MRVPVSSYSA-N 313.188 2.253 10 10 DECE C[C@@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Cl)c1 2167826384 QNDRWLSEAJRTDW-SNVBAGLBSA-N 316.854 2.373 10 10 DECE CN1CCc2cc([C@@H](N)c3cc(Br)nn3C)ccc21 2098439377 QVDYZRRYDRMDDV-CQSZACIVSA-N 321.222 2.223 10 10 DECE COc1ccc(N(C)[C@H]2C[C@H](O)C2)c(OC)c1Br 2219392280 SJPPJEJTZYRTNZ-KYZUINATSA-N 316.195 2.426 10 10 DECE COc1ccc(Br)c(CNC[C@@H]2C[C@@H]2OC)c1O 2220454495 UBKMWBUFJPMKMZ-UFBFGSQYSA-N 316.195 2.288 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234167116 UGNFQVLRBMIUBC-ZYUZMQFOSA-N 308.354 2.429 10 10 DECE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cccc(Cl)c1O 2279354495 PSIWKDZDAYJHFE-ZYHUDNBSSA-N 317.838 2.443 10 10 DECE Cc1ccc(CN2C[C@@H](O)C[C@H]2C)c(O)c1Br 2307440442 YLVOEKDMAJMQNW-KOLCDFICSA-N 300.196 2.418 10 10 DECE C[C@](C[C@@H]1CCCS1(=O)=O)(Sc1nccs1)C(=O)O 2351873800 CDUWSTBOBUBHKE-GZMMTYOYSA-N 321.445 2.046 10 10 DECE CC(C)(C)OC(=O)N1CCc2cc(O)c(O)cc2[C@H]1CC(=O)O 2530210 GHKILAZKPWUHFC-LLVKDONJSA-N 323.345 2.407 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)nc2)c1 114570599 DMBKQWNVHKMNRN-UHFFFAOYSA-N 316.361 2.184 10 10 DECE C[C@@H](NCCN1CCCC1)c1ccc(N2CCC(O)CC2)cc1 178307203 NSNNVKQVJDQGEH-MRXNPFEDSA-N 317.477 2.394 10 10 DECE Cc1cc(C(=O)N2CCS(=O)CC2)c(C)n1-c1ccccc1 171660169 HTIQWEKKXSWNPL-UHFFFAOYSA-N 316.426 2.299 10 10 DECE COc1cc([C@H]2[C@H](N)CCN2C(=O)OC(C)(C)C)cc(O)c1O 1952534771 KTDWHIRNIXOYLI-MFKMUULPSA-N 324.377 2.116 10 10 DECE C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](C)CO 77776907 NSJNNLULQLEVEO-KBPBESRZSA-N 305.422 2.103 10 10 DECE COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1O 185776210 UZKNUIDCCZNGNA-MFKMUULPSA-N 320.368 2.455 10 10 DECE C[C@H]1CC[C@@H](C)CN1S(=O)(=O)CCOc1ccc(N)cc1 88702831 XTQHVAHGWFWTJD-OLZOCXBDSA-N 312.435 2.098 10 10 DECE COc1cc2c(cc1OC)C(=O)N[C@H](c1cc(F)ccc1O)N2 195036843 HMZPXIPVQDAIJV-OAHLLOKOSA-N 318.304 2.403 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)=O)cc1 193746058 KAGSQTFJTKGTBS-KRWDZBQOSA-N 317.433 2.160 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]2C[C@H]21 1895875269 HUAFXWCEUDXXNW-KXNHARMFSA-N 323.397 2.304 10 10 DECE CN(C)c1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1F 362334635 HYXCIZKEDNMNSL-ZBFHGGJFSA-N 319.424 2.382 10 10 DECE C[C@H]1COCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 277316840 BYDLBQMSAZAZMU-XJKSGUPXSA-N 317.433 2.293 10 10 DECE O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Cl)c(F)cc1O 295266477 HJJKSULFIASVJP-CYBMUJFWSA-N 312.772 2.428 10 10 DECE CN(Cc1ccc2ccccc2c1O)C[C@H]1CCS(=O)(=O)C1 816513767 BBGCQXVKHLGGAQ-CYBMUJFWSA-N 319.426 2.412 10 10 DECE C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc2c(cc1O)CCCC2 818362002 NLNHCLNIPKETEV-ABAIWWIYSA-N 316.401 2.069 10 10 DECE C[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])ccc1O 810253845 DYHRNPVIHQHPBU-ZJUUUORDSA-N 302.334 2.232 10 10 DECE Cc1cc(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)cc1Cl 824947958 ACACPPATYIVAIQ-GFCCVEGCSA-N 310.781 2.381 10 10 DECE O=S1(=O)CCN(Cc2cc(Cl)ccc2O)[C@H]2CCC[C@@H]21 825202810 VMSKAVSOCXMZTK-JSGCOSHPSA-N 315.822 2.197 10 10 DECE CCC/C=C/[C@@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 900895094 LVAYMEPPNGXLMF-LQYUOIDQSA-N 304.390 2.195 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[C@H]2C[C@@H]2C1 843312849 CMEXOCPUVWHDRL-IACUBPJLSA-N 300.358 2.345 10 10 DECE CC[C@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccccc1O 925852496 BZWCKZLBMIWHLP-HIFRSBDPSA-N 318.417 2.118 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C2(O)CCC2)CCC1 924947593 SFCYEQAUGZONMB-XQRVVYSFSA-N 317.385 2.313 10 10 DECE CN(C)c1ccc(CNC(=O)CN2CCC[C@H](CCF)C2)cc1 852532177 CXXIFOGYFZKLPI-MRXNPFEDSA-N 321.440 2.440 10 10 DECE CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(N(C)C)cc2)C1 850354080 UYJUPZYXBXUAIP-NXHRZFHOSA-N 306.450 2.408 10 10 DECE CCO[C@@H](CN(C)c1ccc(OCC(=O)OC)cc1)C1CC1 859247036 YKYNDBNYCCVBLY-INIZCTEOSA-N 307.390 2.490 10 10 DECE COc1ccc(CNC(=O)c2cncc(OC)c2C)c(O)c1 867956494 TWRLSOOFLUYKSL-UHFFFAOYSA-N 302.330 2.043 10 10 DECE COC(=O)C[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O 862026177 HVOOSDNHTRVGCF-NSHDSACASA-N 316.357 2.146 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1COCCC1=O 862932642 QEBZDPHYXHJYRL-LBPRGKRZSA-N 318.398 2.243 10 10 DECE COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(O)c(O)c1 860243313 JWLJCQARPQPJPW-HNNXBMFYSA-N 313.353 2.453 10 10 DECE Cn1cc(C(F)F)c(CNCc2cc([N+](=O)[O-])ccc2O)n1 865809308 NNKQKRADTWQINT-UHFFFAOYSA-N 312.276 2.261 10 10 DECE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871198269 FIJNCWCGCBIPKZ-GTNSWQLSSA-N 311.337 2.463 10 10 DECE COc1cc(C)cc(CNCCNC(=O)c2ccccc2)c1O 894205968 CMQURRDDVJMVKG-UHFFFAOYSA-N 314.385 2.229 10 10 DECE O=C(NCc1c(O)cccc1F)C(F)(F)C1(O)CCCCC1 1156170513 OOWINTFYAHZZJK-UHFFFAOYSA-N 317.307 2.478 10 10 DECE COC(C)(C)[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 1335167020 NDKSIYIVDJBZFN-AWEZNQCLSA-N 323.456 2.481 10 10 DECE CCOC(OCC)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1181878281 UQAYRUDSXHTGLD-SNVBAGLBSA-N 322.365 2.366 10 10 DECE CC(=O)NC1CCC(C(=O)N[C@@H](C)c2ccccc2O)CC1 1263884980 IEHBVXFDVYAEGD-XGNXJENSSA-N 304.390 2.264 10 10 DECE NN[C@H](c1ccccc1O)c1cnsc1Br 1900418097 GLKDNKIQGZVWFR-SECBINFHSA-N 300.181 2.164 10 10 DECE C[C@H](O)CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 1914605680 MOXYYYIRXGNACL-ZDUSSCGKSA-N 315.369 2.164 10 10 DECE CC(=O)NN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1089921 JHWVHIUUGANPQU-WQLSENKSSA-N 321.427 2.005 10 10 DECE C[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)c1ccc(N(C)C)cc1 1625543557 HJCUQYCRPXLBAJ-GFCCVEGCSA-N 322.430 2.022 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cnc(-c2ccccc2)nc1 1626837690 DEATUKRCFOYUTD-UHFFFAOYSA-N 321.336 2.485 10 10 DECE COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1636866491 MRCMKPLTJPVZIU-LBPRGKRZSA-N 318.333 2.017 10 10 DECE CC1(C)CC2(CO1)CC(NC(=O)Cc1ccc(O)c(O)c1)C2 1558697415 VIVDBRUNXDGDFY-UHFFFAOYSA-N 305.374 2.104 10 10 DECE Cc1ccc(F)c(OCC(=O)NCc2cc(O)ccc2O)c1 1637126287 RKZZYBVGUQWQBR-UHFFFAOYSA-N 305.305 2.241 10 10 DECE CN(CCCN=[N+]=[N-])C[C@@H]1COCCN1C(=O)OC(C)(C)C 1962304077 KVUKMQJSUMSLLW-GFCCVEGCSA-N 313.402 2.255 10 10 DECE CC[C@@H](N)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 233906725 LNFXVJBLLWMCQT-ZIAGYGMSSA-N 314.476 2.020 10 10 DECE O=C(O)/C=C\c1c(F)c(F)c(N2CCOCC2)c(F)c1F 2824431 GHRHYRRZGXHVMH-UPHRSURJSA-N 305.227 2.177 10 10 DECE CC(C)(C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 1858593983 GLLZNBUYRRGJBI-JXMROGBWSA-N 323.395 2.457 10 10 DECE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Cl 2148778911 SOILOVWFDOKLLG-MNOVXSKESA-N 316.854 2.231 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NCc1ccc(O)c(O)c1 400321677 BILXJCPJWITRRM-XUJVJEKNSA-N 320.389 2.195 10 10 DECE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)CC1(F)F 2158371295 HABXGHQQOHDLSK-KBUNVGBDSA-N 302.708 2.417 10 10 DECE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@@H](P(C)(C)=O)C1 2160834575 MEVWAFHKOJZJKG-ZYHUDNBSSA-N 302.315 2.363 10 10 DECE Cc1noc(CCNCc2ccc(Br)cc2O)n1 691461365 GUUXTYDWMPGMBF-UHFFFAOYSA-N 312.167 2.178 10 10 DECE COc1ccc([C@@H](C)n2nc(C)cc2C(=O)N(C)C)c(O)c1 2070044581 WLVRNEICQCVFKK-LLVKDONJSA-N 303.362 2.217 10 10 DECE COc1ccc(Br)c(CN(CCN)C(C)C)c1O 2220455872 HATQYQQXVUBXSU-UHFFFAOYSA-N 317.227 2.332 10 10 DECE C[C@@H](O)c1ccc(N2CCC23CN(C)C3)c(Br)c1 2222686741 FQIXTFLXXTWDCW-SNVBAGLBSA-N 311.223 2.397 10 10 DECE Oc1ccc(Br)cc1CNCCN1CC[C@@H]2C[C@H]21 2261363120 WVSQRJAGRAULDC-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE CCC(=O)Oc1ccc(C=C2SC(=S)NC2=O)cc1OC 2297365964 BHBSMLGOQSIPRC-UHFFFAOYSA-N 323.395 2.499 10 10 DECE CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307987937 VBDOJZLSLKRCIR-LYRGGWFBSA-N 303.358 2.041 10 10 DECE Oc1cccc([C@@H]2NC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O 309609276 LACXTXRRFKDTMY-LESCRADOSA-N 310.397 2.490 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@@H](O)C(C)C 304330952 RHGPBYXDILGGIV-CQSZACIVSA-N 315.373 2.387 10 10 DECE O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CCC4)C3)cc2N1 131480239 KMYJBEBIOZNHCG-UHFFFAOYSA-N 303.318 2.306 10 10 DECE CCN[C@](CSc1nccs1)(C(N)=O)C1CC2(CC2)C1 2371061100 YNPYKHSRKMKWMJ-AWEZNQCLSA-N 311.476 2.259 10 10 DECE Cc1cn2c(n1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 374702366 RWNRGDHZCZVTAS-UHFFFAOYSA-N 312.417 2.044 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc(CC2CC2)nc1 803557836 IXHRTLJFZLXLPW-GQCTYLIASA-N 311.341 2.492 10 10 DECE Cc1cc(C(=O)NCc2cc(Br)ccc2O)n(C)n1 804735895 HTKGGKUCTYCIIW-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1CO2 718340183 TYIWVMOYXHAKDX-UWVGGRQHSA-N 302.143 2.267 10 10 DECE C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 817414452 KWJHPDMYXMEPMO-HIFRSBDPSA-N 308.397 2.008 10 10 DECE CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 813051397 MWJMOXHZUWJINF-ZDUSSCGKSA-N 309.385 2.212 10 10 DECE COc1ccc(N2CCC(NC[C@@H](O)COC(C)C)CC2)cc1 819002388 KYGMZRCXONKPGM-QGZVFWFLSA-N 322.449 2.040 10 10 DECE CCCCNc1cc(NCCc2ccc(O)c(O)c2)nc(N)n1 811810890 HNJKPHFPRNSPBQ-UHFFFAOYSA-N 317.393 2.337 10 10 DECE COc1cccc(O)c1CN1CCC[C@@H](C(=O)NC(C)C)C1 827681298 ULJOMOQSKLKQCU-CYBMUJFWSA-N 306.406 2.137 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1onc2c1CCCC2 831924629 KBBVXEGHZQTHMX-SNVBAGLBSA-N 316.357 2.326 10 10 DECE COc1cc(CN2CC[C@H](Nc3ncccn3)C2)c(O)cc1C 842617819 WVAZLQQHBFXJGF-AWEZNQCLSA-N 314.389 2.186 10 10 DECE C[C@]1(F)CNCCN(Cc2cccc(Br)c2O)C1 843125415 VYGVFKYZQHCIKU-ZDUSSCGKSA-N 317.202 2.288 10 10 DECE CCn1ccnc1NCc1ccc(N2CCOCC2)c(F)c1 840886610 IZWJVFYUEXRABQ-UHFFFAOYSA-N 304.369 2.491 10 10 DECE COc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cn1 759598215 UPUJHEPJLPMWCQ-DAXSKMNVSA-N 301.298 2.258 10 10 DECE CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768272381 NYTDZRZUKIQLMZ-UHFFFAOYSA-N 316.449 2.038 10 10 DECE CN1CCC(n2cc(NC(=O)Nc3ccc(N)cc3)cn2)CC1 868163492 PNVSWQVYILUFRW-UHFFFAOYSA-N 314.393 2.376 10 10 DECE CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCOC1 869147238 OUFKNXRXCZOSJK-YGRLFVJLSA-N 313.781 2.103 10 10 DECE CCc1noc(CCCC(=O)N2Cc3cccc(O)c3C2)n1 871200606 HTHYCESFZNYRHO-UHFFFAOYSA-N 301.346 2.203 10 10 DECE Oc1ccc(Br)cc1CN1C[C@@H](O)CC(F)(F)C1 787438334 OARHMIHIEZZHPN-JTQLQIEISA-N 322.149 2.357 10 10 DECE O=[N+]([O-])c1cc(CN2C[C@H]3C[C@]3(O)C2)ccc1N1CCCCC1 895649349 PHXUVTCPYYONTP-PBHICJAKSA-N 317.389 2.152 10 10 DECE Cn1ncc(CN2CCc3cc(CN)ccc32)c1Br 2133392887 JNVCVIMNPFRMLU-UHFFFAOYSA-N 321.222 2.204 10 10 DECE C[C@H](O)c1ccc(N2CCn3nncc3C2)c(Br)c1 2130070713 FIOXHPWZZUUPMS-VIFPVBQESA-N 323.194 2.114 10 10 DECE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1c(O)cccc1F 1348232464 BHQFEHYHWYTLLS-GXFFZTMASA-N 324.352 2.062 10 10 DECE O=C(C[C@H]1CCC2(CCC2)CO1)NCc1cccc(O)c1O 1263895877 IWFBQMDTEGRPFB-CYBMUJFWSA-N 305.374 2.453 10 10 DECE C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912172247 CUZANQYTWFTMIT-RYUDHWBXSA-N 301.416 2.128 10 10 DECE O=C(NCCCSc1nccs1)c1cccc2ncnn12 1443487420 HEYHPACHQDRKBQ-UHFFFAOYSA-N 319.415 2.098 10 10 DECE CNC(=O)[C@H](C)N(C)c1ccc([C@@H](C)N)cc1Br 1916817235 ZUZOOONQMDOXRD-BDAKNGLRSA-N 314.227 2.040 10 10 DECE CNCc1ccc(N(C)[C@H](C)CCO)cc1Br 1916996561 OYEIEZUCGSUYOU-SNVBAGLBSA-N 301.228 2.376 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](O)C1CCC1 1540488234 JNFQTWUADMOCLG-QGZVFWFLSA-N 302.418 2.406 10 10 DECE CC(C)(C)OC(=O)c1cc(C(=O)NCc2ccccc2O)[nH]n1 1545681778 BHCPFRYPAFJQDJ-UHFFFAOYSA-N 317.345 2.001 10 10 DECE CCc1noc2ncc(C(=O)NCc3ccc(O)cc3O)cc12 1557084990 XLDFGWJXUQORPE-UHFFFAOYSA-N 313.313 2.126 10 10 DECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnn[nH]2)cc1 1634388135 XXXYQFFCJFEFIC-UHFFFAOYSA-N 323.356 2.206 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 1569106357 NAJUMRHOCHUDPN-YPMHNXCESA-N 304.350 2.130 10 10 DECE C[C@H](CNC/C=C/Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 1569040622 GONMBAXBIMRWCL-CEPNHREXSA-N 323.784 2.309 10 10 DECE CCc1ccc(OCC(=O)NCc2cc(O)ccc2O)cc1 1633595142 JWUHYQQOYLLVLV-UHFFFAOYSA-N 301.342 2.355 10 10 DECE C/C(=C1\SC(=S)N(CC(=O)O)C1=O)c1ccc(O)cc1 2700351 UKABYQPIYSOYQN-YRNVUSSQSA-N 309.368 2.068 10 10 DECE C[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)c1ccccn1 1865875812 IYKMCNMMUSKPLO-SNVBAGLBSA-N 302.330 2.122 10 10 DECE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccccc1N 1894073027 LYFDLOCKSFBPKE-UONOGXRCSA-N 307.394 2.315 10 10 DECE C[C@H](CCNC(=O)OC(C)(C)C)Nc1c(N)cccc1C(N)=O 1978870724 HCZADRONJQFKGP-SNVBAGLBSA-N 322.409 2.083 10 10 DECE NCCN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1 1989364159 PQQCTDGINVZYQX-UHFFFAOYSA-N 313.401 2.025 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@H](C2CNC2)C1 2032536871 HRMLLTKBTJBDEL-SNVBAGLBSA-N 311.223 2.196 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC(C(F)F)C3)c(Cl)cc21 706453859 NNOPXDZTLALDIP-NSHDSACASA-N 301.724 2.254 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@H](C)C(N)=O)cc1Br 723192095 OFHIAWWROPKEKM-RKDXNWHRSA-N 314.227 2.040 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@H]1c1ccccc1 1151560742 DSMJRGBTLIXZNP-KDOFPFPSSA-N 313.353 2.287 10 10 DECE Nc1ccc(CCC(=O)N2CCSCC(F)(F)C2)cc1 2193337600 NYXIXJAHLVBLOI-UHFFFAOYSA-N 300.374 2.412 10 10 DECE CCN1CCN(c2ccc(CN)c(Br)c2)[C@H](C)C1 2043260248 ZQBNJTUEWZRICV-LLVKDONJSA-N 312.255 2.438 10 10 DECE CNCc1ccc(N2CCN(C)[C@H]3C[C@@H]32)cc1Br 2049375092 KOFLCQJCYCIEPX-KBPBESRZSA-N 310.239 2.061 10 10 DECE OCc1ccc(N2C[C@H]3CC(O)C[C@@H]3C2)cc1Br 2065399807 PGNSDDBXENVPET-GHMZBOCLSA-N 312.207 2.149 10 10 DECE C[C@H]1C[C@H](NCc2c(O)cccc2Cl)CCS1(=O)=O 2087676910 DBSOTFNINGBWDB-VHSXEESVSA-N 303.811 2.101 10 10 DECE Cn1nc(CNCc2ccc(O)cc2O)c(Cl)c1Cl 2094366247 OLZAZUDJYJLWKL-UHFFFAOYSA-N 302.161 2.428 10 10 DECE C[C@H](CCN(C)C)NCc1cc(Br)c(O)cc1O 2256018264 XRBKDMYOZZFIRS-SECBINFHSA-N 317.227 2.290 10 10 DECE CSc1ncc(CNC(=O)N[C@@H](C)CCCC(=O)O)s1 2284543438 FPDXNWIAWHZICV-QMMMGPOBSA-N 317.436 2.308 10 10 DECE CCCCN1CCC(NC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307987165 IMUINPPDYXUWEF-UHFFFAOYSA-N 318.417 2.492 10 10 DECE Cc1ccc(CN=c2[nH]cnc(N)c2C)c(O)c1Br 2352637505 RCRFFKIREHBOEF-UHFFFAOYSA-N 323.194 2.178 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1cccc2nsnc12 36961543 ZOZFNKSPKJRAGB-UHFFFAOYSA-N 320.399 2.099 10 10 DECE C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cc(Cl)c(F)cc1O 294619717 JCOZPIWMXJNRHW-WDEREUQCSA-N 316.804 2.072 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)=O)cn1C 808094101 ASXFJATVHSMCPP-UHFFFAOYSA-N 321.373 2.349 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/[C@H]1CCCO1 819335090 RFRMVALYBCFDON-IZPAUZPXSA-N 302.374 2.213 10 10 DECE C[C@H](NC(=O)N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1 822790239 GGFVIYPNFGYOPV-XJKSGUPXSA-N 315.417 2.436 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H](O)C2CCOCC2)cc1 835038428 AITOYWMMJZZCIX-OAJJDEHYSA-N 304.434 2.143 10 10 DECE CN(C)c1ccc(/C=C/CNCC2(CO)CCOCC2)cc1 835040649 FDQGGEVSSJPVSI-ONEGZZNKSA-N 304.434 2.145 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](N)C34CCC4)C2)cc1 925714711 VJGVPKNUMFWSDE-IAOVAPTHSA-N 301.434 2.133 10 10 DECE Cc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)c(O)c1O 856202020 XDZYMJHPJNSELG-UHFFFAOYSA-N 315.316 2.076 10 10 DECE COC[C@@H](N[C@H](C)c1cccc(OC)c1O)C1CCOCC1 850493371 GLGSIZWEPSVGHZ-IUODEOHRSA-N 309.406 2.493 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 852791987 ONLMPBDLYDMCGV-MXASKKJJSA-N 301.434 2.305 10 10 DECE O=C(COC(=O)C1(C(F)F)CCC1)c1ccc(O)c(O)c1 869709948 AVXQKVKJYSWCMA-UHFFFAOYSA-N 300.257 2.259 10 10 DECE CCc1[nH]nc(Cl)c1C(=O)NCc1cccc(OC)c1O 860242074 WHURBFCNRNCKDZ-UHFFFAOYSA-N 309.753 2.270 10 10 DECE C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccc(N(C)C)cc1 775432407 CTRKFZORRDPPKR-LBPRGKRZSA-N 314.389 2.334 10 10 DECE COCCCNC[C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 76378972 LRVQUAWJGSGWCL-AWEZNQCLSA-N 308.422 2.156 10 10 DECE COC(=O)[C@H](CC1CCOCC1)NCc1ccc2c(c1)CCO2 895589672 FFMSVSSKMTXRNB-INIZCTEOSA-N 319.401 2.069 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(N)c1 1959562858 SSICCAYGZXMGOY-NSHDSACASA-N 307.394 2.381 10 10 DECE OC[C@H]1CCC[C@@H]1NCc1c(O)cccc1Br 706843237 PBFDBISAOOXLAL-SKDRFNHKSA-N 300.196 2.405 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)Cc2ccco2)cc1C 1321684541 LQABIITYRWRCSC-CQSZACIVSA-N 316.401 2.434 10 10 DECE Nc1ccc(NC(=O)CN(Cc2ccccc2)C2COC2)cc1 1915704905 XFHJKTFQQIYENR-UHFFFAOYSA-N 311.385 2.108 10 10 DECE Cc1ccc(C)c(NC(=O)CCN2C(=O)CSC2=S)c1 1865767766 DJMYCWLEZDFZDP-UHFFFAOYSA-N 308.428 2.492 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccnc(F)c1 1293955475 JKFSJDSOCQJLJN-UHFFFAOYSA-N 315.348 2.255 10 10 DECE Cc1cc(C(=O)NCc2ccc(O)cc2O)cc([N+](=O)[O-])c1 1469158985 IRCAHULNVFJQDK-UHFFFAOYSA-N 302.286 2.244 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc2ccnn12 1529084066 RKOBUGDNSJEYRO-UHFFFAOYSA-N 309.373 2.034 10 10 DECE CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(O)c(O)c1 227756348 MNSDALYOTZHSFO-SNAWJCMRSA-N 308.378 2.268 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCC2CCOCC2)cc1 1628062017 SWKWQLJUMFJRRS-UHFFFAOYSA-N 304.350 2.396 10 10 DECE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2ncc[nH]2)cc1C 1570602372 VUDBAPWTRIBXKL-OLZOCXBDSA-N 316.405 2.023 10 10 DECE COc1cccc(C(=O)NCc2ccc(O)cc2O)c1OC 1643101115 WAMZJCDYTNYNRX-UHFFFAOYSA-N 303.314 2.045 10 10 DECE Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1[N+](=O)[O-] 1643879233 GYRKKKRSKINUCK-UHFFFAOYSA-N 302.286 2.244 10 10 DECE CCCCCN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1 1596480574 NMHKTXWSHIKKEF-UHFFFAOYSA-N 306.366 2.474 10 10 DECE CC(C)NC(=O)CCCCCN1C(=O)[C@@H](C)SC1=S 11636608 DHILWSNDRGMJCB-SNVBAGLBSA-N 302.465 2.320 10 10 DECE COc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ncn1 157742269 IGNBAFSETQCHKO-UHFFFAOYSA-N 323.312 2.301 10 10 DECE CCOc1ccc(N(C)C[C@H](O)COC[C@@H]2CCCO2)cc1 157312709 CWABJTHWTPPIQK-RDJZCZTQSA-N 309.406 2.078 10 10 DECE COC(=O)c1ccc(C)c(NC(=O)c2cc(O)c(O)c(O)c2)c1 1865876659 YJGMBUYUKTVVGP-UHFFFAOYSA-N 317.297 2.151 10 10 DECE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cnns1 1889938760 HLLFSVPCDREDTK-JSGCOSHPSA-N 314.414 2.457 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](F)C2)c(Br)c1 1944244630 VMIYUDYXACKUAS-XXFPWJFMSA-N 304.159 2.021 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1C(=O)NCCN=[N+]=[N-] 1965101440 CXCSROZUXOTWJQ-NEPJUHHUSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1Nc1ccc(N)cc1 1977689189 LNQLWSKASFVMLV-YJNKXOJESA-N 319.405 2.361 10 10 DECE COC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977946526 VVTKNZOLXNLDTF-GJZGRUSLSA-N 323.437 2.292 10 10 DECE CNC(=O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602112 ADLCOXGWDGNXGV-SFHVURJKSA-N 310.397 2.419 10 10 DECE COC[C@H](O)CN(C)c1ccc(CNC(C)C)cc1Cl 164014347 YUMJOWDJAKJTIS-CYBMUJFWSA-N 300.830 2.282 10 10 DECE C[C@@H](O)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1Cl 2153844409 DBLUOELPTFYHTP-NOZJJQNGSA-N 317.838 2.405 10 10 DECE OCc1ccc(N2C[C@@H](O)[C@H](C3CC3)C2)cc1Br 2030224736 YZABNIPDHSYNCJ-GXTWGEPZSA-N 312.207 2.149 10 10 DECE CC(C)(C)OC(=O)c1cn(Cc2cccc(F)c2O)nc1O 2070637845 JMVBUAKMVOMLRU-UHFFFAOYSA-N 308.309 2.437 10 10 DECE COc1ccc([C@H](C)n2nc(C3CC3)c(C(=O)O)c2N)c(O)c1 2080003146 IVEVSSWKXLOPLH-QMMMGPOBSA-N 317.345 2.364 10 10 DECE CN(C)c1ccc([C@H](O)c2cc(Br)n(C)n2)cc1 2044708658 OULXOQAIQNRZLJ-ZDUSSCGKSA-N 310.195 2.330 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)cc1Br 2051365505 GKPKJHKHGMRXIX-PKFCDNJMSA-N 312.207 2.464 10 10 DECE CN(CC1[C@H]2COC[C@H]12)c1ccc(CO)cc1Br 2054307255 OBMQZKJARJDVEM-VXGBXAGGSA-N 312.207 2.270 10 10 DECE CCNCc1ccc(N2CC(N3CCC3)C2)cc1Br 2095926938 FNONSUWFRJZXNR-UHFFFAOYSA-N 324.266 2.453 10 10 DECE C[C@H](N)c1ccc(N(C)CCn2cncn2)c(Br)c1 2113773393 BIHDFXPRPHOSFB-JTQLQIEISA-N 324.226 2.197 10 10 DECE CCCN(c1ccc(CN)cc1Cl)[C@@H]1CCS(=O)(=O)C1 2201908825 RRMQUUOAZIMJDJ-GFCCVEGCSA-N 316.854 2.202 10 10 DECE COc1ccc(N(CCO)C2CC2)c(OC)c1Br 2219390794 ZPRBFNPSRUZELF-UHFFFAOYSA-N 316.195 2.427 10 10 DECE CNCc1ccc(N2[C@H]3CC[C@@H]2CN(C)C3)cc1Br 2226362805 CJMRVOUDMRLBDR-OKILXGFUSA-N 324.266 2.451 10 10 DECE CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1c(O)cccc1Cl 368359402 BSLJCYRBEWCOKY-TZMCWYRMSA-N 317.838 2.491 10 10 DECE C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2NC1=O 491902029 DESVMKQFZSCASV-SYTKJHMZSA-N 308.341 2.111 10 10 DECE COC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 492285899 CCZLNFSFFRBNED-LQYUOIDQSA-N 323.352 2.183 10 10 DECE Cn1nc(Br)c(NCc2cc(F)ccc2O)n1 2303355797 WIWXNTXMYILWQG-UHFFFAOYSA-N 301.119 2.034 10 10 DECE CCOC(=O)[C@@](N)(CSc1nccs1)[C@@H]1CC1(F)F 2352303935 QACYMXMEJARHJZ-OIBJUYFYSA-N 308.375 2.151 10 10 DECE Cc1ccc(CN2CC(n3cncn3)C2)c(O)c1Br 2352667999 RPLOSIMWEMPVDG-UHFFFAOYSA-N 323.194 2.112 10 10 DECE Cc1cnn(CCN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 123835925 YSKOVCMCEWNXPH-MRXNPFEDSA-N 314.433 2.379 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1ccc(O)c(O)c1 1952452688 OHATUVSBFCHVSI-LBPRGKRZSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1c1c(O)cc(O)cc1O 1952603855 AADKJBBTKZNHQO-HZMBPMFUSA-N 324.377 2.203 10 10 DECE CN1CCc2cc(CN[C@@H]3C[C@@H]3NC(=O)OC(C)(C)C)ccc21 227551572 WNODFZBTNOZUOJ-CABCVRRESA-N 317.433 2.434 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)C2)cc1F 368178190 JKBGSZZQLRYTCF-UHFFFAOYSA-N 321.396 2.214 10 10 DECE CC(=O)C(=O)COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 808550401 DYCFWCAWRMAWDZ-UHFFFAOYSA-N 318.716 2.112 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@](C)(CO)C(C)C 812047595 IFIQFMKVQHVSKJ-QGZVFWFLSA-N 307.438 2.267 10 10 DECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CC12CC2 817455637 JGTIITBCCLCUAV-LBPRGKRZSA-N 322.355 2.218 10 10 DECE CCC/C=C/[C@@H](O)C(=O)NCCCSc1nccs1 900684026 VXJZLNMAXZXYON-DUMNWFOQSA-N 300.449 2.459 10 10 DECE CCN(C/C=C/c1ccc(N(C)C)cc1)CCS(C)(=O)=O 835028184 JSNZOSDGSJKVKU-VOTSOKGWSA-N 310.463 2.132 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCCN=[N+]=[N-])[C@@H]2C[C@H]12 1895876316 UOEQPELOTZVHFQ-NOOOWODRSA-N 323.397 2.352 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCC[C@H](CO)C2)c1 840895590 OFFAVQRIWJYGAM-OBJOEFQTSA-N 307.390 2.381 10 10 DECE COc1c(O)cccc1CNC[C@H](N)c1ccc(N(C)C)cc1 841046123 WQUOQJYTCMAETK-INIZCTEOSA-N 315.417 2.256 10 10 DECE Cc1cc(CC(=O)N2C[C@H]3C[C@H]2C(=O)O3)c(C)n1-c1ccccc1 854745804 HBWPLKOFDQLKGV-SJORKVTESA-N 324.380 2.163 10 10 DECE CCO[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)C1 853855932 LPZJOYHQJOJIKF-XYPYZODXSA-N 315.464 2.492 10 10 DECE CCOC(=O)[C@H](CC1CC1)NCc1cc(OC)c(OC)cc1O 753571088 MJVACFSOKLZDQL-ZDUSSCGKSA-N 323.389 2.231 10 10 DECE Cc1cc(CC(=O)NC[C@H]2CCN2C)c(C)n1-c1ccccc1 928550962 JVHCRHIYCLUXKS-GOSISDBHSA-N 311.429 2.457 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)c1cn(C)c(O)n1 854375162 IZVBKRCKEOXGET-UHFFFAOYSA-N 303.362 2.274 10 10 DECE O=C(c1cc(O)cs1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 765943724 JYAHKEAUOSIEGS-XVKPBYJWSA-N 309.309 2.229 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](c1cccnc1)C1CCCCC1 869775180 JWNHRXOSUALAOE-INIZCTEOSA-N 303.358 2.447 10 10 DECE CCN(C)C(=O)CNCc1cc(C)cc(Br)c1O 775362208 KFEUTOUWRWHARW-UHFFFAOYSA-N 315.211 2.031 10 10 DECE COc1cccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O 886341027 OMRWFTALVTTWPQ-SCGCMHLBSA-N 321.417 2.463 10 10 DECE CC1(C)[C@@H](O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 897808662 NZSQYBLFVULTNR-ZDUSSCGKSA-N 307.371 2.298 10 10 DECE COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 899108470 WVHMUAKGUCAPRF-UPJWGTAASA-N 320.389 2.484 10 10 DECE CN(C(=O)OC(C)(C)C)C1CN(CCc2ccc(N)cc2)C1 1959549057 LZZKLMPACROLJG-UHFFFAOYSA-N 305.422 2.362 10 10 DECE CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1cc(Cl)cc(F)c1O 793608504 JRRFKWVXEKTKTG-AAEUAGOBSA-N 319.804 2.432 10 10 DECE NC(=O)C1CCC(NCc2c(O)ccc(Cl)c2F)CC1 790965422 LNMBJCFNFANXNU-UHFFFAOYSA-N 300.761 2.318 10 10 DECE C[C@H]1CN(c2ccc(CO)cc2Br)C[C@]1(C)CO 694645557 GCZSKWDUDOSZCP-IINYFYTJSA-N 314.223 2.396 10 10 DECE C[C@@H](CC(=O)NCc1c(O)cccc1O)NC(=O)OC(C)(C)C 1156886087 SRRLGLBZZFYNNM-JTQLQIEISA-N 324.377 2.017 10 10 DECE C[C@@H]1c2ccccc2CN1C(=O)C(=O)NCCc1ccc(N)cc1 1329838280 PKRWDULDSVQVAT-CYBMUJFWSA-N 323.396 2.031 10 10 DECE COC(=O)c1c(CN2CC[C@@](C)(O)C2)c2cc(F)ccc2n1C 1333701214 IEAXKMHQSTYZEO-QGZVFWFLSA-N 320.364 2.061 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1900613302 WTIYGLMFWZBXLJ-ABAIWWIYSA-N 323.397 2.402 10 10 DECE OC1CCN(c2ccc(CN=c3cc[nH]cc3)cc2F)CC1 1330404852 MXMFHCICVZIWAI-UHFFFAOYSA-N 301.365 2.216 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1 1347238303 CTTKRYUPEBJADT-DOTOQJQBSA-N 317.433 2.463 10 10 DECE C[C@H](CO)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 1914355980 RONVAGJBUVAAFJ-CQSZACIVSA-N 314.385 2.057 10 10 DECE 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COc1ccc(N2CC[C@H](NC(=O)c3ccncc3F)C2)cc1 855230270 FHVVSIRMBXHOOO-LBPRGKRZSA-N 315.348 2.238 10 10 DECE CO[C@@H](CNCc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 850342092 HNFHCTXOMMKDJL-ZANVPECISA-N 303.761 2.326 10 10 DECE CCCN(CC)C[C@@H](C)NC(=O)NCc1c(O)cccc1F 922547339 LYEYSJZAFWHNEO-GFCCVEGCSA-N 311.401 2.451 10 10 DECE Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(c3ccccc3)C2)cc1 927830814 WYQKUBVYATVGAV-LIRRHRJNSA-N 321.380 2.007 10 10 DECE CN(C)c1cc(F)c(CN[C@H]2CCC[C@@H](C(N)=O)C2)cc1F 858141744 SAKGITRJBREOMC-PWSUYJOCSA-N 311.376 2.165 10 10 DECE CCNc1nccnc1N1CCN(c2ccc(OC)cc2)CC1 853084876 AUXLVRQETDHMDT-UHFFFAOYSA-N 313.405 2.244 10 10 DECE Cc1cnc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 867301768 DQAVMZVMGWWLFV-SNVBAGLBSA-N 304.321 2.301 10 10 DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc(Br)cc1F 90257856 SALONDDCAGXBIK-VIFPVBQESA-N 316.134 2.015 10 10 DECE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(Br)cn1 695233929 CXKDZJWYHXVBDI-JTQLQIEISA-N 314.143 2.044 10 10 DECE CCN[C@@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1Cl 94298824 VRZVFJGVJFHEOH-NSHDSACASA-N 318.870 2.491 10 10 DECE Cc1cc(C(=O)NCc2cnccn2)c(C)n1-c1ccccn1 1159424668 FAJUVOHEWCORPH-UHFFFAOYSA-N 307.357 2.209 10 10 DECE C[C@H](NC(=O)C(=O)N1CCCC1(C)C)c1ccc(N(C)C)cc1 1323195701 DXFJGTIOSAPNTJ-ZDUSSCGKSA-N 317.433 2.331 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1900608153 WTIYGLMFWZBXLJ-NHYWBVRUSA-N 323.397 2.402 10 10 DECE O=C(OCCCOCc1ccccc1)c1cc(O)nc(O)c1 1910532435 PDKSIYLXGMCPKO-UHFFFAOYSA-N 303.314 2.257 10 10 DECE COC(C)(C)CS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912178818 PPAZOZFCNDCGIM-NSHDSACASA-N 304.416 2.154 10 10 DECE Cn1cnnc1CCNCc1cc(Cl)cc(Cl)c1O 109421287 PHURDOJAPVJKCA-UHFFFAOYSA-N 301.177 2.160 10 10 DECE COc1nsc(OC)c1C(=O)NCc1ccc(N(C)C)cc1 1440647028 OXDLDZCJTUQLPV-UHFFFAOYSA-N 321.402 2.156 10 10 DECE CC(C)(C)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1441826895 XXTGUCDWUJSZLK-UHFFFAOYSA-N 306.406 2.019 10 10 DECE CCOC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1cccc(O)c1 1465956069 NFRJVCKFSGLJPA-ZDUSSCGKSA-N 321.354 2.194 10 10 DECE Nc1c(C(=O)NCCc2ccc(O)c(O)c2)ccc(Cl)c1F 1465981182 DARZORDJJLKYQI-UHFFFAOYSA-N 324.739 2.445 10 10 DECE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](O)[C@@H](N)c1ccccc1O 1920311843 KIIPCXVIONVMPC-KBPBESRZSA-N 324.421 2.304 10 10 DECE CN(C)c1ccc(C(=O)NCc2c(O)cccc2F)cc1C=O 1471976332 WTWLELQOFLLFQH-UHFFFAOYSA-N 316.332 2.340 10 10 DECE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCCO1 1557958405 VDXPAFAWYIRUQW-OAHLLOKOSA-N 307.390 2.352 10 10 DECE Cc1cc(CO)cc(C)c1CNC(=O)c1c(F)ccc(O)c1O 1651237831 BSDPMFXPCFPMJW-UHFFFAOYSA-N 319.332 2.276 10 10 DECE CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(OC)cc2)C1=O 11635551 LCSQEWVIGUNOJX-LLVKDONJSA-N 324.427 2.273 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1[C@H](N)Cc1ccc(O)c(O)c1 1894485702 KTGCCKKDMFCMOH-YNEHKIRRSA-N 322.405 2.128 10 10 DECE COc1nscc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1 1964820103 NZSSENHYOMAKRE-UHFFFAOYSA-N 314.388 2.275 10 10 DECE C[C@H](N)C=C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952234594 SGLQXGOWMXIWSV-WCQYABFASA-N 322.405 2.437 10 10 DECE C[C@@H](NCc1ccc(Br)cc1O)[C@H]1COCCO1 1967898870 VRJCFBFUUXGETJ-NOZJJQNGSA-N 316.195 2.048 10 10 DECE COc1cc(N)c(N(Cc2ccccc2)C2CNC2)cc1OC 1989347530 JICRVOGAVRQENZ-UHFFFAOYSA-N 313.401 2.264 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@@H](F)C2)cc1Br 2027974137 VVUAKEUMKNARHP-OXHMUOHRSA-N 317.202 2.378 10 10 DECE NC1CC2(C1)CN(Cc1cc(Br)cc(F)c1O)C2 2034700976 IPVXANTZFCYMBT-UHFFFAOYSA-N 315.186 2.217 10 10 DECE NC1[C@H]2CC[C@H]1CN(Cc1c(O)cccc1Br)C2 2037994409 FCCZWISYBZKBQO-UWVGGRQHSA-N 311.223 2.324 10 10 DECE O=C(O)CC1CN(Cc2cc(Br)cc(F)c2O)C1 715759772 CKHQZWANAJUDAN-UHFFFAOYSA-N 318.142 2.200 10 10 DECE CCNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2179911721 SPHRUGDCMPOIGQ-GFCCVEGCSA-N 316.854 2.073 10 10 DECE CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CO)c(Cl)c1 2179920959 WOQJPDYUPGUFBG-LBPRGKRZSA-N 317.838 2.234 10 10 DECE CN[C@@]1(C(N)=O)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183536941 CKPUOHHNDLNMAE-YGRLFVJLSA-N 311.476 2.402 10 10 DECE C[C@H](O)c1ccc(N2CCN(C)[C@@H]3C[C@@H]32)cc1Br 2049410317 ZBVSTXJNMPFPPA-FZZIBODNSA-N 311.223 2.395 10 10 DECE C[C@H](N)c1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2057004647 DKSVPKFOLSDIBA-XRNSZHNASA-N 317.202 2.235 10 10 DECE OCc1ccc(N2CC[C@@H](CO)C23CC3)c(Br)c1 2070131675 UOTKOSBSRNEINU-NSHDSACASA-N 312.207 2.293 10 10 DECE C[C@]12C[C@H]1CN(c1cc3c(cc1Br)[C@@H](O)C(=O)N3)C2 2096032806 TWVDEBPKRJSKAW-AAAAQAOESA-N 323.190 2.281 10 10 DECE Cn1cnc2c1CCN(c1ccc(CO)c(Br)c1)C2 2114032994 XTMNLAVRRSCWCP-UHFFFAOYSA-N 322.206 2.238 10 10 DECE Cc1ncsc1[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2237951207 HSWZUKCEAZDQOC-SNVBAGLBSA-N 311.432 2.214 10 10 DECE NCc1cc(F)c(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254025901 USSJFRGNRFVTME-NOZJJQNGSA-N 315.186 2.008 10 10 DECE Nc1ccc(CN2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1 2244260432 SOVUQYGDNKQDSU-ZDUSSCGKSA-N 315.339 2.302 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)c(Br)c1 2258370504 CBCQHGAWNLNUDG-HJUHTLPRSA-N 311.223 2.286 10 10 DECE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2294874732 RSAJCEPMHVDSTL-JTQLQIEISA-N 323.395 2.457 10 10 DECE C[C@H]1OCC[C@@H]1OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2309576503 BFDWKVYTXYGTSY-PBHICJAKSA-N 317.385 2.257 10 10 DECE Cc1ccc(CNC(=O)c2ccon2)c(O)c1Br 2327587510 ZGNAJPQQGGNNNV-UHFFFAOYSA-N 311.135 2.381 10 10 DECE Cc1ccc(CN2CCN(C)[C@@H]3C[C@@H]32)c(O)c1Br 2327800003 DSAAOIOGIOLAMY-NEPJUHHUSA-N 311.223 2.351 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@H]2CO)c(Br)c1 300495238 IORVHOBRADRISN-IINYFYTJSA-N 313.239 2.376 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CCCS(=O)(=O)C1 69143122 RTBJFXXQZBKUOP-XQQFMLRXSA-N 309.431 2.416 10 10 DECE CS[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C(C)(C)C1 2360503132 YUFLDEKISILSJO-ZDUSSCGKSA-N 314.476 2.315 10 10 DECE CN1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1COc1ccc(N)cc1 1952925914 SZQTVXMCRCIWPP-KGLIPLIRSA-N 321.421 2.245 10 10 DECE Nc1ccc(NC(=O)C[S@](=O)c2ccc(F)cc2F)cc1 40968829 SVPFUOVYPHHAKM-OAQYLSRUSA-N 310.325 2.293 10 10 DECE COc1cccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O 190151975 KHZCVBFCGBPDFC-CHWSQXEVSA-N 319.361 2.054 10 10 DECE CC1(C)OC[C@@H](CNCc2cc(Br)ccc2O)O1 232818505 IMUTYVPSWMYLKJ-LLVKDONJSA-N 316.195 2.396 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 245438465 FIEHGHFSBINPTG-SJORKVTESA-N 316.449 2.131 10 10 DECE COc1cc(N2CC3(CCCOC3)C2)c([N+](=O)[O-])cc1OC 377139855 JSIYPVGGEAPONU-UHFFFAOYSA-N 308.334 2.229 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCC(=O)NC2)cc1 281972646 UJNSFUUSGYYRRC-SFHVURJKSA-N 317.433 2.065 10 10 DECE CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)nc2)cc1 822603465 UOZIWBYOBQIUHZ-UHFFFAOYSA-N 313.401 2.492 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCc1cc(F)ccc1O)C2 822494732 VGOYGSVRZLKSSU-HUBLWGQQSA-N 322.380 2.488 10 10 DECE Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)c(O)c1O 912029620 ATNKVNHIBAVEQU-CYBMUJFWSA-N 306.406 2.209 10 10 DECE COc1cccc(CN(CCN)CCc2ccccc2)c1O 843123055 YMOLIXCAXSAXNI-UHFFFAOYSA-N 300.402 2.404 10 10 DECE COCCN(Cc1nn(C)cc1C)c1ccc(OC)c(OC)c1 929995120 AXSYSLBLHYXRRA-UHFFFAOYSA-N 319.405 2.399 10 10 DECE C[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)c2ncnn21 858186409 BCHZIADTJIKOLN-ZANVPECISA-N 307.348 2.418 10 10 DECE Cc1cc(C)c(CC(=O)NCc2c(O)cccc2F)c(O)n1 928709266 HNMSOUICLWGAOE-UHFFFAOYSA-N 304.321 2.108 10 10 DECE Cc1cc(C(=O)N2CC3(CCCO3)C2)c(C)n1-c1ccccn1 862821547 RQWLCQKELIJTOB-UHFFFAOYSA-N 311.385 2.494 10 10 DECE CCN1CCC2(CC1)CNc1cc3c(cc1N2C)OCCO3 76935458 SPWFCGDHRPKUBB-UHFFFAOYSA-N 303.406 2.174 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@]2(COC[C@@H](CN=[N+]=[N-])O2)C1 958691588 CCWLCOQSVRPBTE-BXUZGUMPSA-N 312.370 2.482 10 10 DECE COC(=O)[C@H]1CSCCN(Cc2cc(F)cc(F)c2O)C1 895015983 KAVLSFNPFWVCBM-SNVBAGLBSA-N 317.357 2.008 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@@H](OC)CC[C@@H]2C)c1O 895927080 LVJSQGABOUWFLF-JQWIXIFHSA-N 310.350 2.308 10 10 DECE COC(=O)[C@H]1[C@@H](CNCCCSc2nccs2)C1(F)F 894303053 GDRWZUGWPAJTBL-RKDXNWHRSA-N 322.402 2.269 10 10 DECE C[C@@H](CCNCc1c(O)cccc1Br)[S@](C)=O 706834328 WMJRVOWYHMPZDZ-XYZCENFISA-N 320.252 2.401 10 10 DECE C[C@@H]1[C@H](Nc2c(N)cccc2Br)CCS1(=O)=O 697484591 JCHAWBAPTZTVQD-GMSGAONNSA-N 319.224 2.019 10 10 DECE CC(C)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cn1 1176755676 SFHFTIRTSUCONY-UHFFFAOYSA-N 301.346 2.243 10 10 DECE C[C@H]1c2ccccc2CN1C(=O)C(=O)NCCc1ccc(N)cc1 1334721521 PKRWDULDSVQVAT-ZDUSSCGKSA-N 323.396 2.031 10 10 DECE CN(c1ccc(CO)cc1Br)C1(CO)CCC1 1914972491 OGCUHGKDTYJQMJ-UHFFFAOYSA-N 300.196 2.293 10 10 DECE CCCCN(CCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1446964591 UWJCFXRMGXDQTR-UHFFFAOYSA-N 306.366 2.474 10 10 DECE OCC[C@H](NCc1cccc(Br)c1O)C(F)F 1918552485 MMNMFGQHZKPBRM-VIFPVBQESA-N 310.138 2.260 10 10 DECE C[C@H](F)CCN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1714574155 OLABSJJWPDHHKU-NSHDSACASA-N 323.372 2.259 10 10 DECE Cn1cnc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n1 1625051189 JCPMFNIPMZRBQW-UHFFFAOYSA-N 324.340 2.075 10 10 DECE CCCN(CCN(CC)CC)C(=O)Cc1ccc(O)c(O)c1 1632538487 UHCKYPYHOBMUAE-UHFFFAOYSA-N 308.422 2.221 10 10 DECE COC(=O)c1cnc(SCCC(=O)Nc2cccnc2)s1 1643952339 OHNGEXXMPGPPEY-UHFFFAOYSA-N 323.399 2.446 10 10 DECE Cc1ccc(F)cc1C(=O)C(=O)NCc1cc(O)ccc1O 1593872700 BAPOUSFZXVHPEM-UHFFFAOYSA-N 303.289 2.044 10 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COc1cc(N2CCC(C3(C)OCCO3)CC2)ccc1CN 2226053319 CEBKTNYCPKCXAW-UHFFFAOYSA-N 306.406 2.133 10 10 DECE CN(Cc1ccc(Br)cc1O)CC(F)(F)C(=O)O 2263516485 CTHYXJYTJKTQFD-UHFFFAOYSA-N 324.121 2.306 10 10 DECE COC(=O)c1sncc1CNCc1cnc(SC)s1 2269123128 GDBHBPNNUGRSDT-UHFFFAOYSA-N 315.445 2.398 10 10 DECE CCN(C)c1ccc(C=Cc2nc(O)nc(O)c2[N+](=O)[O-])cc1 2297100783 JIVSKNYRSUIEQG-UHFFFAOYSA-N 316.317 2.423 10 10 DECE CN1CCc2cc(C=C3N=C(c4cccnc4)OC3=O)ccc21 2303181611 QBABZJGKBYZISJ-UHFFFAOYSA-N 305.337 2.418 10 10 DECE C[C@@H](NS(=O)(=O)c1cccnc1Cl)c1ccccc1O 1184897944 LGKMSHUMRHSFFK-SECBINFHSA-N 312.778 2.480 10 10 DECE Cc1cccc(N2C(=O)[C@H](CN3CCOCC3)SC2=S)c1 59397389 ZKUNRBJVFOWQDU-ZDUSSCGKSA-N 322.455 2.061 10 10 DECE Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c1O 182539162 MNORPXPCMOPMMO-KGLIPLIRSA-N 318.417 2.494 10 10 DECE CN(C)CCN(C)c1cc(Br)c(CN)cc1F 383991980 NIUAJTOJKALUCX-UHFFFAOYSA-N 304.207 2.045 10 10 DECE Cc1c(/C=C\C(=O)N2CCSc3ccncc32)cnn1C 255127496 HVWNQMLHEFGYLC-ARJAWSKDSA-N 300.387 2.276 10 10 DECE COc1ccc(N2CCN(c3ccnc4c3cnn4C)CC2)cc1 286839330 FSPPKNPSIICMHO-UHFFFAOYSA-N 323.400 2.304 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O 281164822 GLCMAQIYSIECHB-YPMHNXCESA-N 310.781 2.284 10 10 DECE COc1ccc(O)c([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1 284353840 NLBXPBOSMPGYHF-MQIPJXDCSA-N 311.422 2.209 10 10 DECE COc1cccc(O)c1CN1CCC[C@H](C(=O)NC(C)C)C1 827687734 ULJOMOQSKLKQCU-ZDUSSCGKSA-N 306.406 2.137 10 10 DECE CN(C)c1ccc(/C=C/CN2CCN(CCO)C(C)(C)C2)cc1 835046073 RIZLDHJHCSGSLN-AATRIKPKSA-N 317.477 2.154 10 10 DECE Cc1cc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 840950063 IZOQHWKIBBUOCS-NSHDSACASA-N 317.838 2.221 10 10 DECE Cc1cc(O)c(CNCCS(=O)(=O)C2CC2)c(Cl)c1 840967196 XHZHYIJIRPLDCA-UHFFFAOYSA-N 303.811 2.021 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@H]1C 924760114 OHPIZVCRJBFBLI-YZVOILCLSA-N 318.461 2.408 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNCc2nnc(C3CC3)s2)c1 840973356 KNVRECOBVIAEFD-UHFFFAOYSA-N 306.347 2.319 10 10 DECE 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COc1cc(Cl)cc(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)c1O 903981872 JLADBUQGTLVLDF-NXEZZACHSA-N 324.730 2.376 10 10 DECE Oc1c(Br)cc(Cl)cc1CN[C@H]1CC[C@H]1O 1898103013 IOVWHITWQNMXFY-VHSXEESVSA-N 306.587 2.421 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)/C=C\[C@@H]2CCCO2)cc1 844855826 AWWSAJICYSFSEW-MQNTZWLQSA-N 318.417 2.325 10 10 DECE O=C(NCCCSc1nccs1)[C@H]1CC[C@H](C2CC2)N1 846671482 UFNURZLCXWKTME-VXGBXAGGSA-N 311.476 2.272 10 10 DECE C[C@H]1CCc2nc(C(=O)NCc3ccc(N(C)C)cc3)cn2C1 857904722 NTEFMINRRLIYNP-ZDUSSCGKSA-N 312.417 2.461 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)c3cnn(C)c3)C2)cc1 850489393 SUOBTOBZMIVTBH-ZFWWWQNUSA-N 300.406 2.358 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1ccccn1 857472150 HPCKBVWPVCDUFF-KRWDZBQOSA-N 312.369 2.016 10 10 DECE CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(C3CC3)C2)c1O 750819679 GHLMCUMETPRPOX-OAHLLOKOSA-N 306.381 2.402 10 10 DECE CC(C)(C)OC(=O)N(C1CC1)[C@H](C(N)=O)c1ccc(O)c(O)c1 698966459 SUMBWQFQRDCVBZ-ZDUSSCGKSA-N 322.361 2.024 10 10 DECE 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302.721 2.247 10 10 DECE C[C@@H](O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1629223673 QOGSWUHMRIMMOE-LLVKDONJSA-N 301.342 2.010 10 10 DECE C[C@H]1CS(=O)(=O)CCN1[C@@H](C)c1cc(Cl)ccc1O 228891265 ZLWLGYMAKCPCTC-UWVGGRQHSA-N 303.811 2.226 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCNc1cccc(F)c1 1623862659 RKRKKXIBMYTCMK-UHFFFAOYSA-N 318.348 2.398 10 10 DECE Cn1ccnc(N(Cc2ccco2)Cc2ccccc2O)c1=O 1642508868 NCETWMWIPWWIGG-UHFFFAOYSA-N 311.341 2.286 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])c1 1772923608 MGTXWRWLWZDITK-QZPNVGJNSA-N 318.329 2.196 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@H]1Cc2cccc(O)c2C1 1681355973 PLMSRYQRKFBGEE-NSHDSACASA-N 316.332 2.204 10 10 DECE C[C@@H](O)CN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 1858587153 VVYQMMMFUCSBBD-JMUHATKESA-N 324.383 2.177 10 10 DECE O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1CCO 1858588205 UZAABSTWSOVDJU-UXBLZVDNSA-N 301.339 2.158 10 10 DECE COc1cc(Cl)cc(CNCC[C@H](C)[S@](C)=O)c1O 169094231 BJEVZXHIRVVJAP-ZRNGKTOUSA-N 305.827 2.301 10 10 DECE 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CCOc1cccc(CN2CCc3sc(CN)nc3C2)c1O 903941272 VJZQGCLOXUOGDY-UHFFFAOYSA-N 319.430 2.264 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NCCN=[N+]=[N-])C1 1954206679 KJEYEUNRWLCONO-GSDQLPOLSA-N 303.388 2.062 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](CO)C1 840299964 BAPBILYXEDKGQC-HOCLYGCPSA-N 319.449 2.411 10 10 DECE CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCN1 854218182 TTYZWKSDIAHCJK-OLMNPRSZSA-N 303.450 2.394 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2nc[nH]c2C1 929079414 OESLGEZDSZEUHD-UHFFFAOYSA-N 315.354 2.234 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCC[C@H]2CNCC[C@H]21 923413892 JLGJSZPFXSXZJV-PKOBYXMFSA-N 315.461 2.097 10 10 DECE CN(C)c1ccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)cc1 752999445 BVRICEBLRAFSIP-UHFFFAOYSA-N 316.409 2.421 10 10 DECE Cc1nn(C)c(C[C@H](O)Cc2ccc(N)cc2)c1Br 696584627 MRJPSQNAEDJTFY-GFCCVEGCSA-N 324.222 2.219 10 10 DECE COC(=O)c1cc(OCc2snnc2C)ccc1N(C)C 865395315 ORBRMESCEAYWSR-UHFFFAOYSA-N 307.375 2.278 10 10 DECE C[C@H](N[C@@H]1CC[C@@H](C)NC1)c1ccc(N2CCOCC2)c(F)c1 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DECE CCNCc1ccc(N2C[C@H](CO)OC(C)(C)C2)c(Cl)c1 163282871 AXWKCSZABWWAEI-CYBMUJFWSA-N 312.841 2.426 10 10 DECE C[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCS1(=O)=O 151588985 KVKHFPLZWKKWMK-GFCCVEGCSA-N 305.399 2.164 10 10 DECE COc1cccc(N(C)C(=O)/C=C/c2cnc(N(C)C)nc2)c1 1866371554 LAWPKNKCYVUNCR-CMDGGOBGSA-N 312.373 2.227 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](F)C2)cc1Br 1944244770 XEHUBKRGDPKSNS-HFKOZYHYSA-N 304.159 2.021 10 10 DECE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-] 1885557478 PTQYVQCJYXGIRG-SECBINFHSA-N 301.347 2.038 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)C[C@H]1CC[C@@H](F)C1 2150392231 WUFPVRHFLGKGLJ-QWHCGFSZSA-N 300.399 2.169 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NCc1cccc(O)c1O 1975308119 UEAGMWVRBHYGFD-NWDGAFQWSA-N 308.378 2.101 10 10 DECE C[C@H]1CN(Cc2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F 1977891999 FSBROQKJTMGHDP-GXFFZTMASA-N 315.339 2.158 10 10 DECE CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1 1985101717 WRGJUGXTLXWXNP-NSHDSACASA-N 324.385 2.090 10 10 DECE [N-]=[N+]=NCCCCNC(=O)c1nnc(Br)s1 1985864737 ZFVOLOUFGHPQIP-UHFFFAOYSA-N 305.161 2.121 10 10 DECE Cc1ccc([C@@H](C)NC[C@H](CO)NC(=O)OC(C)(C)C)c(O)c1 1985856772 IJIZORXPPDTMOX-CHWSQXEVSA-N 324.421 2.237 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@H](O)C2)cc1Br 300491432 BHFAZPYJQAREBN-IINYFYTJSA-N 313.239 2.376 10 10 DECE CP(C)(=O)[C@@H]1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160827287 DVPQMVRQMJQLLA-ZYHUDNBSSA-N 301.331 2.066 10 10 DECE C[C@H](c1ccc(F)cc1O)N1CCC[C@@H](S(C)(=O)=O)C1 380280984 BXQCJKMBLACCDJ-ZYHUDNBSSA-N 301.383 2.101 10 10 DECE O=C(CNCc1cc(Cl)cc(Cl)c1O)NCC1CC1 393232487 XBRHRAMUVUTCNH-UHFFFAOYSA-N 303.189 2.315 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2nncn12 2064817430 TUWOPLQPBJIPGH-UHFFFAOYSA-N 322.368 2.244 10 10 DECE Cc1c(/C=C\C(=O)N2CCC(=O)Nc3ccccc32)cnn1C 255389593 WSGWWCYNOZEFAB-FPLPWBNLSA-N 310.357 2.117 10 10 DECE CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(Cl)c1 2179920773 UTOVANBQCPPVNW-LBPRGKRZSA-N 316.854 2.201 10 10 DECE NCc1ccc(N2CCC23CC(CO)C3)cc1Br 2042664630 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N[C@@H]1CC(CN2CCCc3ccc(Br)cc32)=C[C@H]1O 2131479812 ZECXGVTULYNFNN-UKRRQHHQSA-N 323.234 2.220 10 10 DECE c1cc(N2CCCC2)ccc1CN[C@H]1CCO[C@]12CCOC2 903067898 XXZVFNQZXRYDPR-ROUUACIJSA-N 302.418 2.324 10 10 DECE COC(=O)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 820771005 BPVUDHLWYKDUQZ-ZDUSSCGKSA-N 314.385 2.314 10 10 DECE CN(C)c1ccc(CN2CCSC[C@H](C(=O)O)C2)cc1F 901889316 HKUCQRMUWYXGRW-GFCCVEGCSA-N 312.410 2.141 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCc3nc[nH]c3C2)c1 830541515 ZCRHPUULMDFXRE-WDEREUQCSA-N 315.373 2.106 10 10 DECE COc1ccc(N2CC[C@H](NC(=S)NCC(C)C)C2)cc1 849271596 NYYNGZUUTWTEJI-ZDUSSCGKSA-N 307.463 2.394 10 10 DECE Cc1cc(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)c(Cl)c1 840911683 MPPINLMIGDIRIK-GFCCVEGCSA-N 323.824 2.344 10 10 DECE O=C(COC(=O)C1CC2(C1)CC2(F)F)c1ccc(O)c(O)c1 849979747 GMKSJFKPJJDPPN-UHFFFAOYSA-N 312.268 2.259 10 10 DECE O=C1N=C(N2CCCCC2)S/C1=C/c1cc2n(n1)CCC2 849242267 CBQKINPDWORFKA-JLHYYAGUSA-N 302.403 2.286 10 10 DECE C[C@@H]1COC2(CCCC2)CN1Cc1cc2c(cc1O)OC[C@@H]2O 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COc1ccc(CNC[C@@H](C)NC(=O)C2=COCCC2)cc1C 1669255663 MWABVGUYXVRZJD-CQSZACIVSA-N 318.417 2.292 10 10 DECE O=C(NCc1cccc(O)c1O)c1ncccc1Br 1593739358 LYBKUHVMTDWZIG-UHFFFAOYSA-N 323.146 2.185 10 10 DECE COc1ccc(CNCCCN(C)C(=O)[C@@H]2CCCO2)cc1C 1670008560 JHCAUVDKUOKOID-KRWDZBQOSA-N 320.433 2.121 10 10 DECE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1CCCN=[N+]=[N-] 1962288614 YXSQRIUJWSAZRE-KXUCPTDWSA-N 307.320 2.464 10 10 DECE CC[C@@H](CNC(=O)[C@H]1CCCO1)NCc1ccc(OC)c(C)c1 1698589563 FWWYPYNOUCFIOJ-DOTOQJQBSA-N 320.433 2.167 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 2145070628 IIIJKNWHDILJPS-GPCCPHFNSA-N 315.822 2.226 10 10 DECE Oc1c(Br)cccc1CNC1CC(n2cncn2)C1 1971361567 KJJAOBKKGZHMHP-UHFFFAOYSA-N 323.194 2.240 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(N)cc1 1977682079 LAMOCJIMQXSQQZ-OAHLLOKOSA-N 320.437 2.232 10 10 DECE CCC[C@]12CN3C[C@](C)(CN(C1)C3c1ccccc1O)C2=O 2059108117 CLFWXCTZHKCXSI-ZNXRZULTSA-N 300.402 2.398 10 10 DECE Cc1cc(N)c(Cl)cc1N1C(=O)[C@@H]2CC(F)(F)[C@H]2C1=O 2174467205 HSPSWVOIWUFLGF-LHLIQPBNSA-N 300.692 2.375 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)c(Br)c1 2051366652 NMNBDLLRYZVLPG-NURSFMCSSA-N 311.223 2.430 10 10 DECE Nc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1O 2191707588 OKRACLAYAILVRJ-UHFFFAOYSA-N 312.778 2.106 10 10 DECE CCCS(=O)(=O)CCN(C)c1ccc(CO)c(Cl)c1 2114073254 WOBGKXCYVOQHCK-UHFFFAOYSA-N 305.827 2.093 10 10 DECE [N-]=[N+]=NC1CN(C[C@@H]2CC2(Br)Br)C1 2209113644 MNEHXCUXUOLCOH-YFKPBYRVSA-N 309.993 2.487 10 10 DECE CCCCN(CC(=O)O)C(=O)NCc1cnc(SC)s1 2284544705 RYJZCDLEONEJTF-UHFFFAOYSA-N 317.436 2.261 10 10 DECE N[C@@H]1C[C@@H]2C[C@H]1CN(Cc1cc(Br)ccc1O)C2 2312377968 DNLSVTFXVLIINP-OUJBWJOFSA-N 311.223 2.324 10 10 DECE Cc1ccc(CN(C)C[C@H](C)C(=N)N)c(O)c1Br 2327793545 VNJZPNQGOLNZEA-VIFPVBQESA-N 314.227 2.467 10 10 DECE COc1ccc(N2CCCN(C[C@H](O)C(F)(F)F)CC2)cc1 181650410 CWQKDTLRJOLKNL-AWEZNQCLSA-N 318.339 2.131 10 10 DECE COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)c(O)c1 121238015 WBSJPHBTWSXEII-UHFFFAOYSA-N 308.422 2.431 10 10 DECE Cc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)c(O)c1O 182562234 ZVILWXUUHSCSSS-CYBMUJFWSA-N 315.373 2.216 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CCCOC1 185390177 FUXHXCSUONSXAN-CHWSQXEVSA-N 307.390 2.352 10 10 DECE Cc1ncsc1CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 131396888 BLTCKTQHYDROJB-AWEZNQCLSA-N 302.403 2.064 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)c[nH]1 292873088 UYPDVCCZLHQNFI-UHFFFAOYSA-N 317.364 2.263 10 10 DECE CP(C)(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 2164506658 IPWCJBKBJCUBRQ-CYBMUJFWSA-N 316.363 2.143 10 10 DECE CN(C)c1ccc([C@@H](N)c2sccc2S(C)(=O)=O)cc1 2163142324 ATDZRMJZVDSLHP-CYBMUJFWSA-N 310.444 2.266 10 10 DECE C[C@H](NCc1cnn(C)n1)c1cccc(C(F)(F)F)c1O 815626176 XXNZUOWUIRIDLQ-QMMMGPOBSA-N 300.284 2.390 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCc3nc[nH]c3C2)c1 810253676 ZYRCRWNCGITUIV-JQWIXIFHSA-N 315.373 2.110 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2nnn(C(C)C)c2C)c1 815834965 GMXQTZYNYNQRLV-JTQLQIEISA-N 318.377 2.373 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@]3(CCCNC3)C2)c1O 843380119 PIIWGZTVMOXCOT-KRWDZBQOSA-N 306.381 2.309 10 10 DECE C[C@H](N[C@H]1CNCC2(CCOCC2)C1)c1cc(F)ccc1O 925793976 SXIWVZIECGNURJ-GXTWGEPZSA-N 308.397 2.341 10 10 DECE CCOCc1cc(CNC[C@H](OC)[C@H]2CCOC2)ccc1OC 850344821 XNXHOKTWXQMQMJ-YJBOKZPZSA-N 323.433 2.373 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)cc1 855226077 PZGCEFONHSSNLY-CABCVRRESA-N 318.417 2.207 10 10 DECE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2nc[nH]c2C1 855023099 QTRSZPCNMWKVBF-VIFPVBQESA-N 305.765 2.190 10 10 DECE CC[C@H](C)[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855226496 QDDJSDZJTKKIKB-JJRVBVJISA-N 320.433 2.451 10 10 DECE COc1ccc(CNC(=O)NCC[C@H]2CCSC2)c(O)c1 868823497 AQOJHUIBMVQFHS-NSHDSACASA-N 310.419 2.343 10 10 DECE CCO[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCC1 869883160 SZJLBGHRIMENCL-MRXNPFEDSA-N 322.357 2.419 10 10 DECE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(CO)CC1 898675351 PJZNKJJKPTYCOB-QMMMGPOBSA-N 307.371 2.203 10 10 DECE COc1ccc(N2CC[C@H]2CNC(=O)OC(C)(C)C)c(N)c1 1959570709 WZPMKCUFMLHCKA-NSHDSACASA-N 307.394 2.381 10 10 DECE C[C@@H](NCc1cc(Br)cc(F)c1O)c1nc[nH]n1 715811490 FWBXFYLFJLCQSF-ZCFIWIBFSA-N 315.146 2.263 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)NCc2cccnc2F)c1 793197593 AAKATMWUJYNQDB-JTQLQIEISA-N 319.336 2.495 10 10 DECE COc1cc(C)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O 790388681 CFYHPOLGHVFOPE-AWEZNQCLSA-N 321.417 2.479 10 10 DECE CN1CC[C@@](C)(C(=O)NCc2c(O)ccc3ccccc23)C1=O 1179033572 YSGODXJWXLBLKD-SFHVURJKSA-N 312.369 2.030 10 10 DECE Oc1cc(Br)ccc1CN[C@H]1C[C@@H](n2cncn2)C1 2127687011 FFIVXONPPCPYAS-TXEJJXNPSA-N 323.194 2.240 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1900612821 OMAKGUHWHHQKDJ-SRVKXCTJSA-N 323.397 2.401 10 10 DECE Cc1cccc(C)c1OCC(=O)NCc1c(O)cccc1O 1456234026 ASAMTXTVALAXDR-UHFFFAOYSA-N 301.342 2.410 10 10 DECE CN(C)c1ccc(CN(C[C@H](O)C2(O)CCCC2)C2CC2)cc1 1473115153 LXMZTOIMXCZPAK-SFHVURJKSA-N 318.461 2.383 10 10 DECE CNc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1 1626941414 YPEAGYFFOYDVMR-UHFFFAOYSA-N 310.401 2.436 10 10 DECE CCn1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1 1624630345 MUKXBZWWJOSTIE-UHFFFAOYSA-N 313.405 2.170 10 10 DECE CN(Cc1ccccc1)S(=O)(=O)N(C)Cc1ccccc1O 1928261654 SGPIFHNFPJHPGW-UHFFFAOYSA-N 320.414 2.201 10 10 DECE Cc1nc2ccnn2cc1C(=O)NCc1cc(Cl)ccc1O 1639966147 WCPGGIWTRQBXFC-UHFFFAOYSA-N 316.748 2.327 10 10 DECE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCCO1 1732759585 FFKXVQMGYBPRIF-KRWDZBQOSA-N 320.433 2.121 10 10 DECE O=C(NCc1c(O)cccc1O)[C@@H]1CCCN1c1ccccc1 1645363095 MLHZUDVTWSLRDJ-HNNXBMFYSA-N 312.369 2.383 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1cncc2nc[nH]c12 1640405030 KTZPNGISLXNMEA-UHFFFAOYSA-N 302.721 2.247 10 10 DECE CC(C)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O 5138360 DAHSRRGMYJJGTF-UHFFFAOYSA-N 312.325 2.276 10 10 DECE CCOC(=O)C[C@@](C)(N)c1cc(Br)ccc1O 1951862891 HIFWDMWNTGCDRJ-GFCCVEGCSA-N 302.168 2.282 10 10 DECE O=C(O)[C@@H]1C=CCCN1Cc1cc(Br)ccc1O 1974267319 JLIAKGPVSSVCSA-NSHDSACASA-N 312.163 2.370 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@@H]2NCC[C@@H]21 2027167096 LEZOHCLXRPVBIG-STQMWFEESA-N 311.223 2.481 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H](O)[C@H](F)C2)cc1Br 2027974130 VVUAKEUMKNARHP-CKLFPEKLSA-N 317.202 2.378 10 10 DECE C[C@@H](O)c1ccc(N2CC3(CC(O)C3)C2)c(Br)c1 2029661074 YJIAJDQUFWHWCC-SECBINFHSA-N 312.207 2.464 10 10 DECE C[C@H](N)Cc1cnc(Sc2nnc(N(C)C)s2)s1 2037822450 KOKAFEUMGCBNGE-LURJTMIESA-N 301.466 2.102 10 10 DECE Cc1oc(CO)cc1S(=O)(=O)Nc1ccc(O)cc1Cl 2157767906 KZZRRDBHEMRSAF-UHFFFAOYSA-N 317.750 2.240 10 10 DECE COCC(COC)N(C)c1ccc(CN)c(Br)c1 701669496 XGAQGHBPGGKCQI-UHFFFAOYSA-N 317.227 2.005 10 10 DECE C[C@@H]1C[C@H]1CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 92775939 RXOFKJXYZFEDED-UJVNDKKSSA-N 324.222 2.493 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CNC)c(Cl)c2)C1 2179898584 IHCKBBDVWYESIM-CYBMUJFWSA-N 316.854 2.073 10 10 DECE Oc1cccc(Br)c1CN1CCC[C@@H]2CNC[C@@H]21 706866983 IXQIWDUMVCMDPU-MFKMUULPSA-N 311.223 2.339 10 10 DECE Cc1nncn1CCNCc1cc(Cl)cc(Cl)c1O 390655361 KQUJPXBIHVNDLO-UHFFFAOYSA-N 301.177 2.389 10 10 DECE NCc1cc(F)c(N2CCC(F)(F)[C@@H](CO)C2)cc1Cl 2177382196 XHGPQGSTFXXXAK-SECBINFHSA-N 308.731 2.392 10 10 DECE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2179604081 PCFLSGDLFJOXOY-BBBLOLIVSA-N 308.354 2.382 10 10 DECE COc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(CN)c1 2214845476 BYOYRDFZZKOGIH-UHFFFAOYSA-N 323.440 2.476 10 10 DECE CSc1ncc(CNC(=O)N2CCC[C@]2(C)C(=O)O)s1 2284503902 HWNZKOOHICIRAX-GFCCVEGCSA-N 315.420 2.014 10 10 DECE CSc1ncc(CNC(=O)c2cccc3c2CNC3)s1 2284635366 GPWSUHZYZRTORR-UHFFFAOYSA-N 305.428 2.398 10 10 DECE Cc1ccc(CN(C)[C@@H](C)C(=N)N)c(O)c1Br 2307452408 LQQNFQLNKOIVJJ-QMMMGPOBSA-N 300.200 2.219 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)c(Br)c1 2309938708 NJZJVJZKKAQDPN-AWRWRYAPSA-N 312.207 2.462 10 10 DECE CCCCN1C(=O)N=C(O)/C(=C\c2cnc(SC)nc2)C1=O 2852259 DVFAGZCTJYWKDA-UXBLZVDNSA-N 320.374 2.301 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1ccc(O)c(O)c1O 1952303341 VVCVBASGRVPYIQ-NSHDSACASA-N 324.377 2.075 10 10 DECE 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850099577 OZQAHRCOKMRORW-DAXOMENPSA-N 302.418 2.356 10 10 DECE C[C@]1(C2CC2)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 855295134 IJSOLDOIMBERQW-RJIDQJRZSA-N 303.358 2.139 10 10 DECE COc1cc(O)c(CN2CCO[C@@](C)(C3CC3)C2)cc1OC 853529435 WGFTYTKEPYBPOL-QGZVFWFLSA-N 307.390 2.410 10 10 DECE Nc1ccc(NC(=O)C(=O)N2CCC(C3CCC3)CC2)cc1 850834285 HPFVQSZRMIEFDV-UHFFFAOYSA-N 301.390 2.246 10 10 DECE CCN(C[C@@H](C)CS(C)(=O)=O)c1ccc(OC)c(OC)c1 757822064 OAWWHHYAJKOOGD-GFCCVEGCSA-N 315.435 2.211 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CO[C@H](C2CC2)C1 858912521 WLBYDWGCYPIWTP-RDJZCZTQSA-N 317.433 2.428 10 10 DECE C[C@H](O)[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 850420941 UQQYSCOCKBPANU-GTNSWQLSSA-N 301.342 2.333 10 10 DECE O=C1OC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]12 862545572 XLBAMSVWIRDLKO-RDJZCZTQSA-N 300.402 2.282 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)NC2)cc1 861562440 XRBLSZQCDLTKIB-GDBMZVCRSA-N 318.465 2.473 10 10 DECE COC(=O)c1c(CNCCCCCO)c2cc(F)ccc2n1C 894598391 VXRXUPWMJHPQCU-UHFFFAOYSA-N 322.380 2.356 10 10 DECE COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1 167700029 JXUGNGMHWVGGRW-UHFFFAOYSA-N 307.394 2.335 10 10 DECE COc1ccc(N2CCN(C(=O)CCCCCO)CC2)cc1F 1137423130 VTAYTKOREFPCHQ-UHFFFAOYSA-N 324.396 2.036 10 10 DECE COc1ccc(CNC(=O)NC[C@H]2CCC(C)(C)O2)c(O)c1 793063183 POXRIIOCOHVJCF-CYBMUJFWSA-N 308.378 2.158 10 10 DECE CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2c(O)cccc2F)C1(C)C 1312370756 WYDSFXSNBXWAPZ-QCZZGDTMSA-N 310.369 2.390 10 10 DECE C[C@@H](NCCOCCCO)c1cccc(C(F)(F)F)c1O 1327834740 PVJUEMBMCKSBCV-SNVBAGLBSA-N 307.312 2.461 10 10 DECE CCc1ncncc1C(=O)NCc1ccc2cccnc2c1O 1638569483 GBGDODJVNKSOKL-UHFFFAOYSA-N 308.341 2.223 10 10 DECE CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(N=NC(N)=O)cc1)C2 1636836772 FLMOTWJRZUKMFA-KBPBESRZSA-N 315.377 2.204 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(O)c(F)c1 1567467580 MPKFSLSJMDHOPI-JTQLQIEISA-N 319.332 2.232 10 10 DECE Cc1c(CC(=O)NCc2ccc(O)cc2O)cccc1[N+](=O)[O-] 1638351927 IMNBYLFGJMUFCE-UHFFFAOYSA-N 316.313 2.173 10 10 DECE COCCC(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1570553479 QPTDPOKLHPEHSD-UHFFFAOYSA-N 320.433 2.025 10 10 DECE Cc1ccc(OCC(=O)NCc2cc(O)ccc2O)cc1C 1651222580 KABYUYLLFBFDFC-UHFFFAOYSA-N 301.342 2.410 10 10 DECE CCOC[C@@](N)(CNC(=O)OC(C)(C)C)c1ccccc1O 1933869566 MMFFHKBINKVQOC-INIZCTEOSA-N 310.394 2.107 10 10 DECE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(CCCCN=[N+]=[N-])C1 1962304785 ORKSYFZQJIRZGG-VHSXEESVSA-N 307.320 2.466 10 10 DECE CCOc1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 1858587941 IWSGFMLQNSUDQK-FMIVXFBMSA-N 309.412 2.279 10 10 DECE Cc1cccc(CNC[C@](C)(CO)NC(=O)OC(C)(C)C)c1O 1876122683 JNUSQNFAGMXKBC-QGZVFWFLSA-N 324.421 2.066 10 10 DECE [N-]=[N+]=NCCNC(=O)CCCNC(=O)OCc1ccccc1 1963809063 KVUCJHZMFLNKFB-UHFFFAOYSA-N 305.338 2.120 10 10 DECE CON(C)C1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 2028062344 RHYYGZSOAZVGLE-SECBINFHSA-N 315.211 2.184 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@@]2(CO)C3)c(Br)c1 2029251241 HJXLCVDDNTYHMS-FZMZJTMJSA-N 312.207 2.293 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)C1CCC(CO)CC1 2157788909 QWURMOADXGMEGX-UHFFFAOYSA-N 319.810 2.338 10 10 DECE CN(C)Cc1cnn(Cc2ccc(Br)cc2O)c1 2069884911 HXBXZNZILZISOS-UHFFFAOYSA-N 310.195 2.461 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CO)cc1Cl 2114229425 WOCZFYULHGZYPF-UWVGGRQHSA-N 305.827 2.090 10 10 DECE CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc(F)cc1O 2204652915 YWVQBVFABHTRBO-UHFFFAOYSA-N 303.399 2.176 10 10 DECE CSc1ncc(Cn2c(O)nc(O)c(C(C)C)c2=O)s1 2284668392 WRTJKMFHWQYGGZ-UHFFFAOYSA-N 313.404 2.005 10 10 DECE CN(C)c1ccc(CN[C@@H]2C[C@@H]3C[C@H]2CC32OCCO2)cc1 2296793749 NZISTIFSLLXESE-YQQAZPJKSA-N 302.418 2.384 10 10 DECE Cc1c(C=CC(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C 2304143410 MPKTUIQXMIDNJV-UHFFFAOYSA-N 312.417 2.466 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2cnn(C)c2C)c1 2304863210 QBKRIPILDDDJNI-NSHDSACASA-N 315.373 2.333 10 10 DECE N[C@H]1C[C@@H]2C[C@H](C1)N(Cc1cc(Br)ccc1O)C2 2310965284 PWAHOBFPYFDPMZ-JIMOISOXSA-N 311.223 2.466 10 10 DECE OCc1ccc(N2CCC3CC2(CO)C3)c(Br)c1 2314894362 VVSBCQKZDYCIMI-UHFFFAOYSA-N 312.207 2.293 10 10 DECE CN(CC1CC(O)C1)c1cc(Br)c(CN)cc1F 310727322 LFCKIOUXVDILBV-UHFFFAOYSA-N 317.202 2.254 10 10 DECE COc1ccc(N2CCN(C(=O)CCSC)CC2)cc1F 177278725 GWNTYEVULOVINR-UHFFFAOYSA-N 312.410 2.236 10 10 DECE Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccccc1 172615664 WOCDNQGAELXUFI-UHFFFAOYSA-N 309.373 2.484 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)Nc1nncs1 174132848 NRGZXIGKRSEVNM-UHFFFAOYSA-N 304.375 2.444 10 10 DECE OCC(F)(F)C(F)(F)CNCc1ccc(F)c(F)c1O 2361674430 LORGNZICKUPTIR-UHFFFAOYSA-N 303.202 2.023 10 10 DECE CC[C@H](C)[C@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305089174 WABHHKUCBLOVCK-SMDDNHRTSA-N 315.373 2.387 10 10 DECE CCO[C@H]1C[C@@H](NCc2cccc(OC)c2O)C12CCOCC2 185657452 KYOBBBMHFKUSKO-CVEARBPZSA-N 321.417 2.465 10 10 DECE Cc1sc(S(=O)(=O)N(C)Cc2ccc(N)cc2)cc1N 2362999445 IXUJSZCZJIIZPT-UHFFFAOYSA-N 311.432 2.042 10 10 DECE CCCN(CC(=O)NCC(F)(F)F)Cc1ccc(N)cc1 49310045 UVIFWUQXNAJBCW-UHFFFAOYSA-N 303.328 2.159 10 10 DECE COC(=O)C[C@@H](N)c1cc(Br)cc(Cl)c1O 95716347 OPHQOWJEMWAPKR-MRVPVSSYSA-N 308.559 2.371 10 10 DECE CCCC(=O)N[C@H]1CCCN(Cc2ccc(OC)cc2O)C1 92708677 SYAGFWAFKLTMEA-AWEZNQCLSA-N 306.406 2.282 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](c2ccc(O)c(O)c2)[C@H](CN)C1 382700789 OENVJDDQIKBZFB-VXGBXAGGSA-N 308.378 2.007 10 10 DECE COc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCCN32)c(O)c1 907924917 AVYOXEAOJJIVMB-UKRRQHHQSA-N 304.390 2.034 10 10 DECE C[C@H](NC(=O)NC1CCC1)c1ccc(N2CCOCC2)cc1 730673899 GTUMMWWMLBXHDW-ZDUSSCGKSA-N 303.406 2.436 10 10 DECE CC1(S(=O)(=O)NCc2cc(Br)ccc2O)CC1 831521502 BEBVBPWTALQURZ-UHFFFAOYSA-N 320.208 2.127 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cnc(CC2CC2)s1 910957616 SXNZFOLPZQIZHB-UHFFFAOYSA-N 304.371 2.437 10 10 DECE CCN(CC)c1ccc(CNC(=N)N2CCO[C@@H](C)C2)cc1 848993305 XWOHOSUQYTYFCU-AWEZNQCLSA-N 304.438 2.278 10 10 DECE Cc1cc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1C 853582478 IDKYCKMNJWQCEY-HNNXBMFYSA-N 305.422 2.197 10 10 DECE Cc1ccc(C(=O)NCc2c(C3CCC3)cnn2C)c(O)c1O 855966009 QQVJNWCENPBJNR-UHFFFAOYSA-N 315.373 2.337 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 935945454 XTIWDMNLOWATLH-GHMZBOCLSA-N 306.362 2.021 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 865693944 OULPNDSSIGMLPT-BVRUVYRISA-N 314.429 2.036 10 10 DECE Cc1c(CNC(=O)NC[C@@H]2CCC[C@@H]2O)n(C)c2ccccc12 956955980 XNSGOFSXBXDBSR-GUYCJALGSA-N 315.417 2.447 10 10 DECE CC[C@@H](CCO)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894289494 NUDXREMPRNFLMS-LBPRGKRZSA-N 322.380 2.355 10 10 DECE COC[C@@H](NCc1cc(C)cc(OC)c1O)C1CCOCC1 895231271 QPLBOWJQSMDKEG-OAHLLOKOSA-N 309.406 2.240 10 10 DECE CN1CCCc2cc(CNC(=O)Cc3ccc(F)cn3)ccc21 798167097 LGFAEOKOCREMHM-UHFFFAOYSA-N 313.376 2.462 10 10 DECE C[C@@H](CNCc1ccc(Br)cc1O)CN(C)C 691427600 OJWYMTQXJHIGIE-JTQLQIEISA-N 301.228 2.442 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCNC1 715758260 JQLMADWPBGCGMC-SNVBAGLBSA-N 303.175 2.088 10 10 DECE CCNCc1ccc(N2CC([C@H](C)O)C2)c(Br)c1 719784942 LMOCLGVLTRROSX-JTQLQIEISA-N 313.239 2.376 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2nscc2Br)C1 1912161686 MMBQIXBIAOZRFD-RXMQYKEDSA-N 302.157 2.430 10 10 DECE NC(=O)c1cc(NCc2c(O)cccc2F)ccc1[N+](=O)[O-] 1612950175 IFZFXMRUHOILLF-UHFFFAOYSA-N 305.265 2.151 10 10 DECE C/C=C/[C@H](O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1556879386 MNXRXYDIEJDAKE-VRMVNXKISA-N 308.341 2.272 10 10 DECE C/C=C\C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OCC 1632613711 AOMKWKUKFYETQX-UPINCSFDSA-N 319.357 2.125 10 10 DECE CC1(C)OC[C@@H](CNCc2cccc(Br)c2O)O1 230210861 QUNDVGDJXRAMSD-SNVBAGLBSA-N 316.195 2.396 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2[nH]ncc2c1 1585788225 SXWNJCQJJWHDBN-UHFFFAOYSA-N 309.373 2.262 10 10 DECE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1CCN(C)C 1857913446 JALMRYAFUHMVCR-UHFFFAOYSA-N 315.417 2.134 10 10 DECE CO[C@@H](CNCc1cc(C)ccc1O)CNC(=O)OC(C)(C)C 1901480653 IMKZDQOPBYIOFK-AWEZNQCLSA-N 324.421 2.330 10 10 DECE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCN=[N+]=[N-] 1880836747 DQJSWQXULBCLGP-LLVKDONJSA-N 305.338 2.070 10 10 DECE CC[C@@H](N)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951694318 GKYZMRZIBQFWRS-NEPJUHHUSA-N 310.394 2.271 10 10 DECE C[C@H]1C[C@H](NCc2cccc(Cl)c2O)CCS1(=O)=O 1967816944 JJCIGQYQYOSYLO-GXSJLCMTSA-N 303.811 2.101 10 10 DECE CC1(C)CN(Cc2ccc(Br)cc2O)[C@@H]1C(=O)O 1968204079 NTVILKBHOKTLIC-LLVKDONJSA-N 314.179 2.450 10 10 DECE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2C(=O)NCCN=[N+]=[N-] 1985093799 FSOGKEFCPGDQKY-UTUOFQBUSA-N 323.397 2.449 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1985103652 YOPTWBIUQFIWBC-TUAOUCFPSA-N 323.397 2.401 10 10 DECE CN(CCS(=O)(=O)C(C)(C)C)c1ccc(CO)c(Cl)c1 2170462084 FXPYSYYLFAJJDD-UHFFFAOYSA-N 319.854 2.482 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170636931 XHDGHQHXBNGIIW-GMTAPVOTSA-N 302.415 2.103 10 10 DECE C[C@@]12CNC[C@H]1CN(Cc1c(O)cccc1Br)C2 706884884 KZFYSTVIGIVVBA-HZMBPMFUSA-N 311.223 2.196 10 10 DECE CSc1nc(Cl)cc(=NCCOc2ccc(N)cc2)[nH]1 2162368892 GINMPSMNEDHPBG-UHFFFAOYSA-N 310.810 2.347 10 10 DECE C[C@H]1CN(c2ccc(CN)cc2C(F)(F)F)CC[S@@]1=O 2171970952 BXKAGHHIOBVLAG-LXGOIASLSA-N 306.353 2.121 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)c1cc(Cl)c(CN)cc1F 2177380862 HTJVAGHVGGTPRI-VIFPVBQESA-N 322.833 2.197 10 10 DECE COc1ccc(N2CCC[C@H]2CN)c(OC)c1Br 2044261402 HEVGFQDPPYUNJS-VIFPVBQESA-N 315.211 2.394 10 10 DECE NCc1ccc(N2CCC3(CC(O)C3)C2)c(Br)c1 2053730019 KNVYGHUHOFENIW-UHFFFAOYSA-N 311.223 2.259 10 10 DECE COc1ccc(N2CC[C@H]2CO)c(OC)c1Br 2214053950 FYEASLDMBPLZBT-QMMMGPOBSA-N 302.168 2.037 10 10 DECE COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])s1 2225800579 PTALHBDHKPUZEF-HTQZYQBOSA-N 302.381 2.266 10 10 DECE CNCc1ccc(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254096684 GDBPGCLTGWVFND-BXUZGUMPSA-N 311.223 2.130 10 10 DECE CSc1ncc(CNC(=O)N(CC(=O)O)C2CCC2)s1 2288033407 SKKKZBIWFCKCRH-UHFFFAOYSA-N 315.420 2.014 10 10 DECE CC(=O)NCCN1C(=O)C(=Cc2cccc(F)c2)SC1=S 2323719598 JUMNZTLNCDGZAY-UHFFFAOYSA-N 324.402 2.163 10 10 DECE Cc1ccc(CNC[C@H](C)C(=O)O)c(O)c1Br 2307452818 QAIBJKNKCKBSEO-QMMMGPOBSA-N 302.168 2.273 10 10 DECE Oc1cc2c(cc1O)CN(c1ccc(Br)nn1)CC2 2341196193 LAJQRUJIWHNUOP-UHFFFAOYSA-N 322.162 2.213 10 10 DECE CN1CCCc2cc([C@]3(O)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2354960209 BULPZCISTXAHRP-XYJFISCASA-N 315.413 2.430 10 10 DECE CN(CC1CC1)c1cc2c(cc1Br)[C@H](N)C(=O)N2 118589984 XGCZQIZRKURFDH-LBPRGKRZSA-N 310.195 2.247 10 10 DECE CCOC(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 182365804 JXROJIRATUYWJF-CYBMUJFWSA-N 321.421 2.236 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1F 187926753 KVFOXDSXNVFMHO-XNRPHZJLSA-N 321.396 2.258 10 10 DECE CC(C)CC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 181144164 JFXDLAKLUBTZQM-UABRLCRWSA-N 307.390 2.414 10 10 DECE CC(C)N1C[C@H](C)[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 246321429 WZWRYAYYJYLBMM-WMLDXEAASA-N 318.465 2.281 10 10 DECE CCCN(Cc1cc(Cl)cc(C)c1O)[C@H]1CC(=O)N(C)C1=O 802655827 FWTBXZZTOLUUMD-ZDUSSCGKSA-N 324.808 2.323 10 10 DECE CO[C@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 291377416 DVCDUGINWMQYAH-VOTDVEDPSA-N 318.417 2.076 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 809940144 DJGZFDOBIWIXCL-GFCCVEGCSA-N 320.286 2.244 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn2c1CCCC2 808097239 WKYUQMDUNYZURM-UHFFFAOYSA-N 320.389 2.341 10 10 DECE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)Nc1ccc(O)cc1N 2164638561 XYUOVDYIPINHHN-CBAPKCEASA-N 306.334 2.007 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1cc(OC)ccc1O)C2 822534744 VRZUHALFPIJHRI-GLQYFDAESA-N 320.389 2.110 10 10 DECE C[C@H]1CC[C@@H](NCc2cc(Cl)cc(F)c2O)CS1(=O)=O 827169968 GZNUZIJDHUQHPM-GZMMTYOYSA-N 321.801 2.240 10 10 DECE CC(C)(C)c1noc(CCC(=O)NCc2ccc(N)cc2)n1 837303181 XOZNEZUGFYZOAO-UHFFFAOYSA-N 302.378 2.198 10 10 DECE Cc1cc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c(Cl)c1 840916345 IWSBCCDEESYZON-UHFFFAOYSA-N 319.792 2.006 10 10 DECE CCCC(=O)NCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 917392193 PMDQNBMMUVHBMC-UHFFFAOYSA-N 319.449 2.408 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](C(=O)O)C2)c1O 842935300 AHQOVQXNYIJZBX-LKFCYVNXSA-N 309.337 2.277 10 10 DECE COc1ccc(N2CC[C@@H](NC3[C@H]4CC[C@H]3CC(N)C4)C2)cc1 925714700 VEXXHADGVRJYPX-NUOMKFEWSA-N 315.461 2.379 10 10 DECE COc1ccc(N2CCCN(C[C@]3(C)CCNC3)CC2)cc1 843060905 RCQQCMWRSSALJC-GOSISDBHSA-N 303.450 2.207 10 10 DECE CCO[C@@H]1COCC[C@@H]1CC(=O)N(C)Cc1ccccc1O 866597671 WVWUZRVULUSRNT-CZUORRHYSA-N 307.390 2.182 10 10 DECE C[C@@H](c1ccns1)N1C(=O)CN(Cc2ccccc2O)C1=O 863535439 DQQKUDODZNRERD-JTQLQIEISA-N 317.370 2.374 10 10 DECE CCc1cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1 931147146 UWVYRWADLHBPGN-UHFFFAOYSA-N 318.396 2.047 10 10 DECE COC(=O)CC1(CC(=O)NCc2cccc(O)c2O)CCCC1 1123978332 TZSNODVOAIVOPI-UHFFFAOYSA-N 321.373 2.228 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)nn2C)c1 881250888 LNHAKXPAKQNPJX-SECBINFHSA-N 320.349 2.026 10 10 DECE COc1cccn2ncc(C(=O)NCc3ccc(N(C)C)cc3)c12 1124552803 LBXANFNHZKQHIM-UHFFFAOYSA-N 324.384 2.339 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@](C)(CO)COC)c(Cl)c1 689814484 OYBJITBVOLRPOA-XHDPSFHLSA-N 300.830 2.454 10 10 DECE O=C1OCC[C@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN12 792173442 WJTMNKJZXQSCOE-VIFPVBQESA-N 314.744 2.211 10 10 DECE NC(=O)[C@@]1(NC2CC2)CCC[C@H]1CCSc1nccs1 93629920 QJTKERWUMPFJRL-IINYFYTJSA-N 311.476 2.402 10 10 DECE CCN(C)[C@@H](C(=O)NCc1c(O)cccc1O)c1ccccc1 1156881150 RIAUQOSACZTXPU-QGZVFWFLSA-N 314.385 2.407 10 10 DECE CCC[C@@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 1350367038 QNWRXFYSAXGPAC-CQSZACIVSA-N 319.449 2.311 10 10 DECE O=C(NC[C@@H]1CSc2ccccc2O1)c1cccc(O)c1O 1299899343 BMOZDTDNTLBVBN-SNVBAGLBSA-N 317.366 2.381 10 10 DECE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccccc1 1293551248 VVVQBHFWOGZLIE-LBPRGKRZSA-N 301.342 2.224 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1c(O)cc(O)cc1O 1951853585 HTNWZKCWBXCCKO-CYBMUJFWSA-N 309.318 2.054 10 10 DECE C[C@@H]1CNc2c(C(=O)N[C@H](C)c3ccccc3O)cnn2C1 1528711656 DQEHEGTUWBWJGM-GHMZBOCLSA-N 300.362 2.141 10 10 DECE CCN(CC)CCCNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 169999321 IDJTVVUMGVHHPV-ZDUSSCGKSA-N 308.422 2.125 10 10 DECE CCN(CC)CCCCNC(=O)[C@H](C)Oc1ccc(N)cc1 1860082973 ZUPKRUVUVQFKRQ-AWEZNQCLSA-N 307.438 2.274 10 10 DECE CC(C)CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)n[nH]1 1860201826 AOMGMSAFJPJFCC-UHFFFAOYSA-N 317.389 2.382 10 10 DECE NC(=O)C1(Nc2ccc(N)cc2)CCN(Cc2ccccc2)CC1 1948841919 KGRKOQOGVGJLRX-UHFFFAOYSA-N 324.428 2.201 10 10 DECE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895032349 ZHQZQESIILZFNP-JHJVBQTASA-N 324.421 2.042 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1ccc([N+](=O)[O-])cc1O 1952305376 XYRXYRRCVCGHOH-AAEUAGOBSA-N 323.349 2.310 10 10 DECE CS(=O)(=O)c1sccc1CNCc1c(O)cccc1F 1967706047 DFIWUFUFIABTFX-UHFFFAOYSA-N 315.391 2.286 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(C)[C@H]3CCSC3)c(Cl)cc21 252610667 UWIJYZSBCYZZBK-ISVAXAHUSA-N 311.838 2.494 10 10 DECE CN(CC(=O)NCC(F)(F)F)Cc1c(O)cccc1Cl 1972605617 ZOFUYOLTQDNJBC-UHFFFAOYSA-N 310.703 2.156 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 1977696130 GWEAYTXMCBEEMS-CYBMUJFWSA-N 320.393 2.400 10 10 DECE O=S1(=O)CCC[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]21 2146315599 DRHSARNDHJVKOW-RISCZKNCSA-N 315.822 2.055 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]21C(=O)N1CC(N=[N+]=[N-])C1 1985093519 AOSQMVCADVIQGQ-BONVTDFDSA-N 321.381 2.297 10 10 DECE CCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 163966692 QTICXNUFOYPZSS-LBPRGKRZSA-N 316.854 2.073 10 10 DECE C[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1O 714359455 LCDWTGKSDVXWTJ-CMPLNLGQSA-N 301.383 2.149 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCC(F)(F)C[C@@H]3C)c2n1 2063782560 GGEGOGTXDFPDCB-VIFPVBQESA-N 310.304 2.003 10 10 DECE C[C@H]1[C@@H](C)S(=O)(=O)CCN1[C@H](C)c1cc(F)ccc1O 2170447797 ZCMPUGWBBQRPIG-HBNTYKKESA-N 301.383 2.100 10 10 DECE C[C@@]1(CNCc2cc(Cl)ccc2O)CCCS(=O)(=O)C1 2194283434 ZNLZQTYKTLVTIA-AWEZNQCLSA-N 317.838 2.350 10 10 DECE Oc1cccc(Br)c1CN1C[C@@H]2CNCC[C@H]2C1 2049691092 WXKYXMSGCBMSTC-QWRGUYRKSA-N 311.223 2.196 10 10 DECE CN(C1CC1)C1CN(c2ccc(CN)cc2Br)C1 2052835004 FPQQXWDMGYTADF-UHFFFAOYSA-N 310.239 2.191 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NCc2ccc(O)cc2O)C1 2212424712 WPXRSXTUXUTHPX-YVEFUNNKSA-N 320.389 2.197 10 10 DECE CS(=O)(=O)c1sccc1CNCc1ccc(F)cc1O 2204732488 GLBUHZCIUFCCHZ-UHFFFAOYSA-N 315.391 2.286 10 10 DECE CCCCN1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O 2295923779 WMPXHSAJCUSKCF-UHFFFAOYSA-N 311.341 2.430 10 10 DECE CSc1ncc(CNC(=O)N2CCCC[C@H]2C(=O)O)s1 2284504138 JWRZCPAMUVBBPP-VIFPVBQESA-N 315.420 2.014 10 10 DECE C[C@@H](NC=C1C(=O)NC(=O)N(C(C)(C)C)C1=O)c1ccccc1 2296937075 LLHBQQYQBGAJLK-LLVKDONJSA-N 315.373 2.098 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCCSC(F)(F)F 2307990314 JHOCXEBGRARZPZ-UHFFFAOYSA-N 307.293 2.480 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@H]2C[C@H]3O)c(Br)c1 2315504217 PZKRXSZXSRMAFE-UHIISALHSA-N 311.223 2.257 10 10 DECE COc1cccc(CNn2c(C)nc3ccccc3c2=O)c1O 102860 QYVXRVIRASYIQD-UHFFFAOYSA-N 311.341 2.163 10 10 DECE C[S@@](=O)CC(=O)c1ccc2nc3ccccc3c(N)c2c1O 100420566 DRVVUVXFNGOCQV-QFIPXVFZSA-N 314.366 2.237 10 10 DECE C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)O1 124981463 ULWJITABVDVRQA-RHSMWYFYSA-N 318.417 2.049 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@]2(COC)CCOC2)cc1 825326162 KJUDJNRVYNWRTJ-GOSISDBHSA-N 320.433 2.202 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)CF)C2)cc1 823636777 FTTLBTSEHFGMLB-STQMWFEESA-N 309.385 2.179 10 10 DECE OCCN1CCCC[C@@H]1CNCc1c(O)ccc(Cl)c1F 824582639 BSCOPRRWUWTEAQ-LLVKDONJSA-N 316.804 2.121 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@]1(C)C(=O)O 901544957 XBHNJGMGGWSYTQ-RDTXWAMCSA-N 318.417 2.066 10 10 DECE C[C@H](O)C[C@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 844211295 YHXRXOZBVHGGHW-PDCNKGEESA-N 320.345 2.432 10 10 DECE Nc1ccc(NC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1 926145900 XOKBIZUGNBWJDZ-KCJUWKMLSA-N 303.284 2.358 10 10 DECE CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F 928712590 UCDNMLPQZCMOBF-CYBMUJFWSA-N 322.380 2.185 10 10 DECE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](CC(F)(F)F)O1 856362240 HLYNRSAPMINIGB-BDAKNGLRSA-N 319.279 2.280 10 10 DECE CCOC(=O)C(C)(C)C(=O)NCc1ccc2cccnc2c1O 862027631 ZHEGSKOMYVLTMP-UHFFFAOYSA-N 316.357 2.146 10 10 DECE C[C@H](NC(=O)NC[C@@H]1CCN(C2CC2)C1)c1ccccc1O 868355888 SMBZINNPGMDHEO-STQMWFEESA-N 303.406 2.237 10 10 DECE O[C@H](CNc1ccccc1OCC1CC1)CC1(O)CCOCC1 872211469 MMIZSSYSNRXPOZ-HNNXBMFYSA-N 321.417 2.180 10 10 DECE Cc1cc(Cl)cc(CNCc2ccnc(N(C)C)n2)c1O 779431883 GVKDAEQDCGYROU-UHFFFAOYSA-N 306.797 2.500 10 10 DECE COC[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCOC1 886355833 OMQAGLKVVFELDC-YGRLFVJLSA-N 301.333 2.202 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CO[C@H]1CCOC1 1124549510 LJGFKBAJSSBYKO-KRWDZBQOSA-N 318.417 2.051 10 10 DECE Cc1cc(Br)c(O)c(CNC2(CO)CCC2)c1 781636102 TXDTXMXTQDDWAD-UHFFFAOYSA-N 300.196 2.468 10 10 DECE O=C1CC2(CCC2)N(Cc2cc(Cl)cc(F)c2O)CCN1 895927431 RIKJXDYXMOVQEY-UHFFFAOYSA-N 312.772 2.429 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(CCCO)c1 1154006699 GNMGJIVUIJHFFU-UHFFFAOYSA-N 301.342 2.204 10 10 DECE COc1ccc(CNC/C=C\CNC(=O)c2ccc[nH]2)cc1C 1273844096 VOKMNMIKBXYPDX-ARJAWSKDSA-N 313.401 2.408 10 10 DECE CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1(C)C 1465349531 VUYJZSZWIPAVKH-HUUCEWRRSA-N 307.390 2.302 10 10 DECE COc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(N)c1F 1558036237 XPZDIMRESLEDAT-UHFFFAOYSA-N 302.305 2.278 10 10 DECE CCCNC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1732372127 IRXCIOKQLUUSHC-LLVKDONJSA-N 305.382 2.215 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc2ccccc2c(=O)o1 1652625975 PTWBSFYSAJMODA-UHFFFAOYSA-N 311.293 2.134 10 10 DECE COC[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C 5175056 GOOMMLDQGNVSSL-GFCCVEGCSA-N 319.430 2.330 10 10 DECE CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 7262877 CPIHATWVNJETDT-HZAKCSEPSA-N 310.400 2.469 10 10 DECE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc2ccccc2[nH]1 1148586885 YBDQJIYGLXFOSO-QMMMGPOBSA-N 313.313 2.171 10 10 DECE CN(C)CCCONCc1cc(Br)ccc1O 1999413136 JOSWGVAVBWRRPU-UHFFFAOYSA-N 303.200 2.128 10 10 DECE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCC[C@H](F)C2)cc1 2152331700 MDWSJSNBKKVADK-OLZOCXBDSA-N 300.399 2.217 10 10 DECE OCc1ccc(N2CCC[C@](F)(CO)C2)c(Br)c1 2039793843 BNUAMFFAGZAGJS-CYBMUJFWSA-N 318.186 2.242 10 10 DECE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC[C@H](P(C)(C)=O)C1 2160831259 JHDSJIJCRACCSK-CMPLNLGQSA-N 302.315 2.363 10 10 DECE CN1C[C@H]2CN(Cc3c(O)cccc3Br)C[C@@H]2C1 707128671 ZNWPDTYGIJWDAW-QWRGUYRKSA-N 311.223 2.148 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1cccnn1 715790974 DLTXXFHFFWSVHT-UHFFFAOYSA-N 312.142 2.374 10 10 DECE COc1ccc(N2C[C@@H]3C[C@@]3(N)C2)c(OC)c1Br 2044327020 YDRVQMLYBQNODQ-ISVAXAHUSA-N 313.195 2.004 10 10 DECE OCc1ccc(N2C[C@@H](O)C3(CCC3)C2)c(Br)c1 2046457990 MJOQGBSMNYLHDK-CYBMUJFWSA-N 312.207 2.293 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)c(Br)c1 2061576380 HUFOVVKHRUTHHQ-KXGXSXBTSA-N 312.207 2.177 10 10 DECE COc1sccc1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225800600 PVXATUVESZTSGF-YUMQZZPRSA-N 302.381 2.266 10 10 DECE CCOCCOCCOCCSc1ncc([C@H](C)N)s1 2240432486 UDSGUEXWSMOWLJ-NSHDSACASA-N 320.480 2.325 10 10 DECE CSc1ncc(CNC(=O)c2nnc(Cl)s2)s1 2248746622 VHODQXMRSLVFSS-UHFFFAOYSA-N 306.825 2.300 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCC[C@@H]3NCC[C@H]32)s1 2284681473 MMGBAANKZYACGN-TUAOUCFPSA-N 311.476 2.259 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1cnn(CC(F)F)c1 2307987675 DEQVFWOEYBOOHB-UHFFFAOYSA-N 309.272 2.211 10 10 DECE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C 2313656622 MXFLCCHIKYQVFM-UHFFFAOYSA-N 315.373 2.046 10 10 DECE C[C@@]1(O)C[C@H]2C[C@H]1N(c1ccc(CO)c(Br)c1)C2 2317404937 WLBXALLDRPJREO-OWYVNGRQSA-N 312.207 2.291 10 10 DECE Cc1ccc(CNCCN2CC=CC2)c(O)c1Br 2327796590 JUIUWZLCAOEASC-UHFFFAOYSA-N 311.223 2.425 10 10 DECE CN1CCc2cc(Cn3ncc(Br)c3N)ccc21 50286982 QJRHOPLHIXXSCX-UHFFFAOYSA-N 307.195 2.268 10 10 DECE CNCc1ccc(N2CC[C@@H](C)[C@H]2CO)c(Br)c1 300495239 IORVHOBRADRISN-QMTHXVAHSA-N 313.239 2.376 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1 1952784841 ULEPAPWVTPLCNV-PWSUYJOCSA-N 310.394 2.128 10 10 DECE Nc1ccc(CS(=O)(=O)NCCc2cccc(F)c2)cc1 36779027 TZVLNLWLKZPRBH-UHFFFAOYSA-N 308.378 2.070 10 10 DECE COCCN1CCC[C@@H]1CN[C@H](C)c1ccc(F)c(F)c1O 187695234 UUCBOOBVDXGWJI-VXGBXAGGSA-N 314.376 2.432 10 10 DECE C[C@H]1CSCCN1C(=O)c1ccn(-c2ccc(N)cc2)n1 70218805 YBLXYMVYPXLKDD-NSHDSACASA-N 302.403 2.032 10 10 DECE COc1ccc(O)c(CNC(=O)NOCc2ccc(F)cc2)c1 186212072 DVDKMYOXYNSCSS-UHFFFAOYSA-N 320.320 2.471 10 10 DECE CC[C@H](NCCC(=O)NC)c1cc(Br)ccc1O 44988354 GTFHJPPSMTXSGA-NSHDSACASA-N 315.211 2.332 10 10 DECE COc1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1O 93691452 CNTZYHHAMGOGJT-HNNXBMFYSA-N 300.358 2.449 10 10 DECE O=C(NC[C@H]1CCN1C1CCCCC1)c1cccc(O)c1O 529719233 MUIPAVMACLOLGO-CYBMUJFWSA-N 304.390 2.235 10 10 DECE CN(C)c1ccc(/C=C\CN[C@]2(C(=O)O)CCSC2)cc1 904007311 DGBJDLODOROGOC-MJSXRHKHSA-N 306.431 2.316 10 10 DECE CN(C)c1ccc(/C=C\CNCC(=O)NCc2ccco2)cc1 835034835 BPTRIPDYHUVGGL-HYXAFXHYSA-N 313.401 2.265 10 10 DECE Cc1cc(C(=O)CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 915362415 PPXMGSDCIZGWOB-UHFFFAOYSA-N 309.362 2.461 10 10 DECE C[C@H](NC(=O)NCC1=CCOCC1)c1ccc(N(C)C)cc1 836405375 DUZBOWHWRZSLMY-ZDUSSCGKSA-N 303.406 2.460 10 10 DECE CCO/C=C/C(=O)NCc1cc(Br)ccc1O 848067774 BKTZFQDZLQKBCH-AATRIKPKSA-N 300.152 2.321 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1 914254925 VGMLBIWLRMKQHO-YOEHRIQHSA-N 318.465 2.425 10 10 DECE COCC1(CNCc2cc(Cl)cc(C)c2O)CCNCC1 841068247 LVCJJJPVCMDRSN-UHFFFAOYSA-N 312.841 2.460 10 10 DECE COc1ccc(N(C)C[C@H]2CN(C3CC3)C(=O)O2)cc1OC 844283076 YLBDMJMBANFKKI-ZDUSSCGKSA-N 306.362 2.123 10 10 DECE COC[C@H](CNC(=O)NCc1ccc(OC)cc1O)C(C)C 927594261 VOJFGBUPIQKVHU-ZDUSSCGKSA-N 310.394 2.119 10 10 DECE COC(=O)[C@@](C)(CCF)NCc1cc(F)cc(C(C)=O)c1O 852578442 MUAKYISOWGXBMD-OAHLLOKOSA-N 315.316 2.115 10 10 DECE O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2nn[nH]c12 783573604 YTMGYYUVFVHOHJ-UHFFFAOYSA-N 323.356 2.047 10 10 DECE O=S1(=O)CC(CCNCc2ccc(N3CCCCC3)cc2)C1 786823621 AALWSIDQMNJTPJ-UHFFFAOYSA-N 322.474 2.201 10 10 DECE Nc1c(F)cc(Cl)cc1C(=O)NCc1ccc(O)c(O)c1 1137443353 MLVYRNVHAMKTQF-UHFFFAOYSA-N 310.712 2.403 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCNC(=O)CC12CCC2 895927679 VOPAAVNRFKAZIN-UHFFFAOYSA-N 301.434 2.306 10 10 DECE CN(C)CC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 897949657 YBDSWHRLTBQHHJ-UHFFFAOYSA-N 308.403 2.383 10 10 DECE CN(c1cc(Br)c(CN)cc1F)[C@H]1CCC[C@@H]1O 709427670 AMWKJJQIGCSDHJ-AAEUAGOBSA-N 317.202 2.397 10 10 DECE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)cc1 711769734 AIEZQKWUVPDVKK-LJQANCHMSA-N 311.429 2.342 10 10 DECE CCNCc1ccc(N2CCS[C@H](CO)C2)c(Cl)c1 719991096 DLQJQQREXJCSGO-LBPRGKRZSA-N 300.855 2.364 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1COC[C@@H]1C(=O)O 90427357 DPUCXEVUPKBWSC-GXSJLCMTSA-N 320.172 2.230 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1C[C@@H](n2ccnn2)C1 2127673294 HENCEHVBVUHFRR-TXEJJXNPSA-N 323.194 2.240 10 10 DECE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)c1ccccc1O 1920372953 PXUQWQWJCWIHKV-PZSREKOKSA-N 322.405 2.152 10 10 DECE CN(C(=O)/C=C/c1cn(C)cn1)c1cccnc1N1CCCC1 1533988430 YIFUOISODXVRJK-BQYQJAHWSA-N 311.389 2.092 10 10 DECE C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1O 1471195449 IVTYEVWJYGAGMP-SNVBAGLBSA-N 318.333 2.109 10 10 DECE CCOC(=O)[C@@H]1CCCN(c2ccc(CNC)cc2OC)C1 212644371 VUEWWQLXSOZZCE-CQSZACIVSA-N 306.406 2.194 10 10 DECE CC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1O 1625496073 FJHKZMYSVXHDRS-UHFFFAOYSA-N 301.298 2.187 10 10 DECE CC[C@@H](CN1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1627776202 NVAWNYWNLCTCNM-ZDUSSCGKSA-N 317.393 2.453 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccoc1Br 1639292429 BSKTVJNWPBAVSR-UHFFFAOYSA-N 312.119 2.383 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ccccc1-c1cn[nH]c1 1636022908 TXHBHVFKIZUETG-UHFFFAOYSA-N 323.352 2.460 10 10 DECE COC[C@@](C)(CCO)NCc1c(O)cccc1Br 1118855542 IXBLRIYDWGDRDV-CYBMUJFWSA-N 318.211 2.032 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1985095211 APIDPVJHEAYDPP-IJLUTSLNSA-N 323.397 2.449 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2030273101 PJFDGUBALUKUCT-HWNAMQAFSA-N 312.207 2.177 10 10 DECE CCCC1(O)CN(c2cc(Br)c(CN)cc2F)C1 383988733 OBCSXRDLBOKROC-UHFFFAOYSA-N 317.202 2.398 10 10 DECE COc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)sn1 717681750 AVNNAZYRMNIUPD-UHFFFAOYSA-N 320.779 2.312 10 10 DECE CC(=O)NCCN(C)c1ccc([C@@H](C)N)cc1Br 723202885 XVASTWMSMPSOPZ-SECBINFHSA-N 314.227 2.041 10 10 DECE CN1C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CC1=O 723547337 GSIURGIRMOMIRT-MRVPVSSYSA-N 303.189 2.267 10 10 DECE CN[C@@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2179926732 PKNNQIHARPXUTI-JQWIXIFHSA-N 316.854 2.244 10 10 DECE CNC(=O)c1cc(C2CCC2)nn1Cc1cc(F)ccc1O 2070057618 GNGYOQUPTMWDFQ-UHFFFAOYSA-N 303.337 2.403 10 10 DECE O=C(O)[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1F 2057025565 MPLJPWBIBBYTQL-SCZZXKLOSA-N 318.142 2.009 10 10 DECE CS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)ccc1O 2094883671 XXIFGJLDRRANTB-GFCCVEGCSA-N 303.811 2.055 10 10 DECE CCN(c1ccc(CO)cc1Cl)[C@H](C)CS(C)(=O)=O 2114022156 ZFGRQCIJGAJJDC-SNVBAGLBSA-N 305.827 2.092 10 10 DECE COC(=O)[C@@H]1CC[C@]1(C)C(=O)NCc1cnc(SC)s1 2284503263 AUOKURMOISNMPD-ZANVPECISA-N 314.432 2.071 10 10 DECE Cc1ccc(CN2CC(C)(C(=O)O)C2)c(O)c1Br 2327628673 JSNDUOLLRILCEP-UHFFFAOYSA-N 314.179 2.370 10 10 DECE CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)cc1 101104215 UKOIDDAGXDMCES-SCLBCKFNSA-N 313.353 2.402 10 10 DECE CNS(=O)(=O)c1cccc(NCc2cc(C)ccc2O)c1 71407448 IYQZTCRCFJXFEE-UHFFFAOYSA-N 306.387 2.221 10 10 DECE C[C@H](O)CN(CCNCc1ccccc1O)C(=O)OC(C)(C)C 227819059 UHZFJDPTGAVEBM-ZDUSSCGKSA-N 324.421 2.100 10 10 DECE CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1O 193131724 VKGRJCXBGRXURD-NSHDSACASA-N 316.361 2.078 10 10 DECE CCCOc1ccc(CN2C[C@H](C)O[C@@H](COC)C2)c(O)c1 249241078 WSBIXMXBRQOCAA-XJKSGUPXSA-N 309.406 2.417 10 10 DECE C[C@@H]1CCOCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 367657362 HUJUGEJMHHRNOH-OAHLLOKOSA-N 315.417 2.383 10 10 DECE CCOc1ccc(O)c(CNCc2ccc(CC(N)=O)cc2)c1 810159045 AOSJYKXFWJPFBV-UHFFFAOYSA-N 314.385 2.109 10 10 DECE O=C1N[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CS1 813683044 RANLNWZEDWFSFX-MRVPVSSYSA-N 321.185 2.140 10 10 DECE COC(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 820815694 BLLBCKADWLQNJC-UHFFFAOYSA-N 314.385 2.316 10 10 DECE OC[C@H]1CC(F)(F)CN1Cc1ccc(Br)cc1O 825621315 LHORYXNJLMSHSN-SNVBAGLBSA-N 322.149 2.357 10 10 DECE C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 903303241 NKPAMBXRMBUZRM-GRDNDAEWSA-N 321.440 2.406 10 10 DECE CC(C)C[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846244674 MTBZCBXAKGEJLL-NSHDSACASA-N 318.377 2.001 10 10 DECE CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H](C4CC4)N3)ccc21 846672721 JNVLBLNSAWCSCX-DLBZAZTESA-N 313.445 2.216 10 10 DECE CN(C)c1ccc(CN2C(=O)N[C@](C)(CCF)C2=O)cc1F 849353707 IHCNWKOHBOYNGE-OAHLLOKOSA-N 311.332 2.062 10 10 DECE COc1cc(Cl)cc(CN2CCNC[C@H]2C(F)F)c1O 843124501 DMJIBSAHARSSTQ-JTQLQIEISA-N 306.740 2.093 10 10 DECE O=C1OCCN1C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 840093981 DPRUDTWIBCRIDR-CYBMUJFWSA-N 316.401 2.155 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c1 850499334 NOTDQDPVBPYPOI-GBIKHYSHSA-N 316.361 2.127 10 10 DECE COc1cccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1O 854246317 OTKWUGCSRJLBNK-CYBMUJFWSA-N 321.421 2.073 10 10 DECE CC(C)(C)OC(=O)CCNC(=O)NCc1c(O)cccc1F 920167367 WUJLFJOVNGCLHD-UHFFFAOYSA-N 312.341 2.062 10 10 DECE CC(=O)c1cc(F)cc(CN2CC(=O)NC[C@H]2C(C)(C)C)c1O 933825453 TTYVRYRYMOHCLB-AWEZNQCLSA-N 322.380 2.080 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)c1cnn(C)c1 935944891 CANGJXKMLXNYRL-GFCCVEGCSA-N 322.405 2.421 10 10 DECE CCOc1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1O 862431191 FLOPQBZTEXLDMH-GOSISDBHSA-N 317.385 2.494 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H]2CCCN3C)c1O 880129751 AIEZMPPJDNQSQT-HZPDHXFCSA-N 306.381 2.402 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2CNC[C@H]2C1 691489911 YXFGHPUXOFSCCH-JQWIXIFHSA-N 311.223 2.196 10 10 DECE COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O 797820338 SEMBURADJUDWNF-UHFFFAOYSA-N 324.314 2.110 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2sncc2Br)C1 1912171253 IHERLGNAIJNGNZ-RXMQYKEDSA-N 302.157 2.430 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2c[nH]cc(C)c2=O)cc1 1160592815 DSACUSNJNMUPIG-UHFFFAOYSA-N 313.401 2.460 10 10 DECE Oc1c(F)cc(F)cc1CN1C[C@H](O)CC2(CCOCC2)C1 1331580371 ODKQWZIKZBAFFR-CYBMUJFWSA-N 313.344 2.034 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H]2C)cc1Br 1914406687 RNQOVLMYBVFDBN-RVBZMBCESA-N 300.196 2.462 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)CC2CC(F)C2)C1 1912168448 DMBKJFVCSKMQFW-UNXYVOJBSA-N 304.391 2.477 10 10 DECE COc1cccc(CNC(=O)c2nnc(C(C)(C)C)s2)c1O 1445965746 HUWMBMHNXCYSHJ-UHFFFAOYSA-N 321.402 2.480 10 10 DECE O=C(NCc1cc(O)ccc1O)C(=O)c1ccc(Cl)s1 1455357082 NFOHJINNHXNXJT-UHFFFAOYSA-N 311.746 2.312 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCCNc1ccccn1 1464875195 VTKPPOUFHHXWEM-UHFFFAOYSA-N 315.373 2.044 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1Cc2ccccc2O1 1478646088 KEOMJAHGLKWBIL-GFCCVEGCSA-N 316.332 2.334 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2cnn(CCF)c2)cc1 1629469602 YBXXHFRUTBSNDV-UHFFFAOYSA-N 304.285 2.267 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cnn([C@H]2CCCCO2)c1 1557691013 XVSHZFNXERTOPE-MRXNPFEDSA-N 317.345 2.175 10 10 DECE COc1ccc(CNC(=O)[C@@H]2CCCN(C(C)C)C2)c(O)c1 1626080177 ZOBSXUXMMOQMPA-CQSZACIVSA-N 306.406 2.137 10 10 DECE O=C(CSC[C@H]1CCCCO1)NCc1c(O)cccc1O 1558533358 DILFOXUAGLTUKL-LLVKDONJSA-N 311.403 2.016 10 10 DECE O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cccc(O)c1O 1636676920 LQHHCXVXPKUEOA-OAHLLOKOSA-N 323.352 2.466 10 10 DECE CCn1nc(C2CC2)cc1C(=O)NCc1cc(O)ccc1O 1651225568 OYVGBIBKBGGRPN-UHFFFAOYSA-N 301.346 2.122 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@H](C[C@@H](N)c2ccccc2O)C1 1936986440 HWFNVQHZQUDZPW-TZMCWYRMSA-N 322.405 2.418 10 10 DECE N[C@@H](Cc1ccc(O)c(O)c1)c1nc([C@@H]2CCCS2)no1 157570166 QUWOJPAVLCGAAA-CABZTGNLSA-N 307.375 2.291 10 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10 10 DECE CO[C@]1(CO)CCCN(Cc2c(O)ccc(Cl)c2F)C1 826951690 BIPIBXCYTOCIFJ-CQSZACIVSA-N 303.761 2.158 10 10 DECE COCC1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 848564830 KCJGLMUGQRWQJJ-UHFFFAOYSA-N 308.397 2.179 10 10 DECE CCC[C@@H]1CCCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1 846252420 AWQTWNKWGLVTLS-GFCCVEGCSA-N 318.377 2.288 10 10 DECE CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCOC1 846051777 IJWXWLOQTAYMFB-IBGZPJMESA-N 317.477 2.439 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CCCC[C@H]3CN)C2)cc1 854217759 PXGDUOYVCKDZGG-MPGHIAIKSA-N 303.450 2.381 10 10 DECE CC[C@H](N[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O 850481563 LPQWJRHAQQIIGA-QWRGUYRKSA-N 302.296 2.340 10 10 DECE NCc1ccc2c(c1)CCCN2C(=O)c1cccc2c1CCNC2 852797432 SHPACUGLCRLYOO-UHFFFAOYSA-N 321.424 2.384 10 10 DECE CC1CCN(CC(=O)NCc2ccc3cccnc3c2O)CC1 862026974 FUDZQPJARYYAOQ-UHFFFAOYSA-N 313.401 2.289 10 10 DECE O=C(O)c1ccc2c(c1)CCCN2C(=O)/C=C/[C@H]1CCCNC1 864611776 LQIMHEUSCQELFQ-OQHXTRMZSA-N 314.385 2.220 10 10 DECE Cc1cc(C)n(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 772993428 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10 10 DECE [N-]=[N+]=NC[C@H]1CCCN(C(=O)C(Cl)=C(Cl)C(=O)O)C1 2225796404 WUVSGUSUIPEKMX-ZCFIWIBFSA-N 307.137 2.309 10 10 DECE Cc1cc(O)c([C@H](C)N(C)CCS(C)(=O)=O)cc1Cl 2270940746 WDZKJFBBJIIOLP-JTQLQIEISA-N 305.827 2.391 10 10 DECE CSc1ncc(CNCCN2CC(C)(C)OC2=O)s1 2269084614 CQMQYKZLHZHOBP-UHFFFAOYSA-N 301.437 2.185 10 10 DECE CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S 2293031174 DLJAWAOAHJQVKI-SECBINFHSA-N 308.384 2.146 10 10 DECE CCN(C[C@@H](C)C(=O)O)C(=O)NCc1cnc(SC)s1 2284543881 JZEFLQVLSGBYAG-MRVPVSSYSA-N 317.436 2.117 10 10 DECE CC(=C1SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1 2296882414 UGGDEUINYPHAPB-UHFFFAOYSA-N 323.395 2.458 10 10 DECE Cc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)NC1=S 2296933286 BVLXBSJBJYWXAG-UHFFFAOYSA-N 312.350 2.419 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(O)c(F)c1 2307989627 GPHUKWAWQDYRFB-UHFFFAOYSA-N 303.289 2.272 10 10 DECE Cc1ccc(CN[C@@H]2C[C@H]2[C@@H](C)O)c(O)c1Br 2307472074 CIQFVPUXBRVFDP-DVVUODLYSA-N 300.196 2.322 10 10 DECE CNCc1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)cc1Br 2309932265 LYSILTRDPCZVCP-FZZIBODNSA-N 311.223 2.128 10 10 DECE Cc1ccc(CNC(=O)CC(C)(C)O)c(O)c1Br 2327593760 GZWIGDVTHWBYKF-UHFFFAOYSA-N 316.195 2.240 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1cc([N+](=O)[O-])ccc1O 1952452571 NBJLFZCAKJJDRQ-CABZTGNLSA-N 323.349 2.310 10 10 DECE CC(C)(C)OC(=O)NCCC=C[C@H](N)Cc1ccc(O)c(O)c1 1952894329 SYOJOOMADFLEAZ-ZDUSSCGKSA-N 322.405 2.439 10 10 DECE CS(=O)(=O)c1cccc2nc(-c3cccc(O)c3O)[nH]c12 126601522 KBQBXKKDVLZIQJ-UHFFFAOYSA-N 304.327 2.045 10 10 DECE CC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1CCOC 120908018 DPONXDYKQDFAJD-KRWDZBQOSA-N 305.466 2.295 10 10 DECE CC[C@H]1CN(Cc2cccc(Cl)c2O)CCN1C[C@@H](C)O 180085587 NWADKQVKXVKZBU-OCCSQVGLSA-N 312.841 2.323 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2CCCn3ccnc32)cc1F 80610356 KELNLHKDBAEWGW-CYBMUJFWSA-N 316.380 2.282 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C(=O)NCCN=[N+]=[N-])C1 1895876272 STGKAFKHDPCILJ-NHYWBVRUSA-N 323.397 2.450 10 10 DECE C[C@@H](CN1CCOCC1)N(C)Cc1cc(Cl)c(F)cc1O 294534757 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COc1ccc([C@H]2[C@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952307675 CBCBUOROBOAUSF-OCCSQVGLSA-N 308.378 2.410 10 10 DECE CO[C@H]1C[C@@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1979675020 HWMNLPGDTHYNSR-CORIIIEPSA-N 322.405 2.416 10 10 DECE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 42013280 VZAZOKVZMPECQA-UHFFFAOYSA-N 319.730 2.227 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@]2(C(=O)NCCCN=[N+]=[N-])C1 1985093970 HYUCEGXBNQZYIL-HFAKWTLXSA-N 323.397 2.496 10 10 DECE CC(C)[C@@H](O)CN(C)c1ccc(CO)cc1Br 2002408594 QMHXEUCFNDDMGH-ZDUSSCGKSA-N 302.212 2.395 10 10 DECE CN(C)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2053466722 NQCAEFWJMWHHDD-UHFFFAOYSA-N 322.411 2.038 10 10 DECE Cc1cnn(CCNCc2ccc(Br)cc2O)c1 691466173 XPUCFOBFIAUCEU-UHFFFAOYSA-N 310.195 2.449 10 10 DECE CO[C@@H]1CCOC[C@@H]1NCc1c(O)cccc1Br 724877327 JFVWIOOBCVRWKD-WCQYABFASA-N 316.195 2.048 10 10 DECE Oc1cccc(Br)c1CN1CCNCC(F)(F)C1 1211341395 KCXFWKMRLYIYDU-UHFFFAOYSA-N 321.165 2.195 10 10 DECE NCc1cc(F)c(N2CCOC[C@H]2CF)cc1Br 2062399694 KJCONVZWBRMOHK-SECBINFHSA-N 321.165 2.222 10 10 DECE Cc1nn(C)c(Br)c1CNCc1ccc(N)cc1 2065908296 HFRSZRWFEJMINH-UHFFFAOYSA-N 309.211 2.363 10 10 DECE CCCN(c1ccc(CO)cc1Cl)[C@@H]1CCS(=O)(=O)C1 2201892018 KVOYLJMYUXUKLX-GFCCVEGCSA-N 317.838 2.236 10 10 DECE COc1cc(N2C[C@H](C)CC[C@@H]2C2OCCO2)ccc1CN 2226055028 YMLOWJQEUHIYDV-IUODEOHRSA-N 306.406 2.132 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCC[C@H]3NCC[C@H]32)s1 2284681472 MMGBAANKZYACGN-QJPTWQEYSA-N 311.476 2.259 10 10 DECE COc1c(C=C2SC(=S)N(C)C2=O)cccc1[N+](=O)[O-] 2297320981 UYOGMCMFODADLZ-UHFFFAOYSA-N 310.356 2.434 10 10 DECE Nc1ccc(CCNS(=O)(=O)C=Cc2ccccc2)cc1 2297484332 OUEQSXHZNMIQDS-UHFFFAOYSA-N 302.399 2.402 10 10 DECE C[C@@H](O)CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2323701427 MKULJHDXJGHQLI-MRVPVSSYSA-N 324.383 2.177 10 10 DECE Cc1ccc(CNC(=N)NC(C)C)c(O)c1Br 2307452732 PATXWGCKZQKHBA-UHFFFAOYSA-N 300.200 2.485 10 10 DECE Cc1ccc(CNC(=O)[C@H]2C[C@@H]2F)c(O)c1Br 2307463626 LGAKRYYEPCVZPY-IUCAKERBSA-N 302.143 2.437 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2O 2310041530 VGOROTJCMQMVPI-XRRVDJEJSA-N 312.207 2.404 10 10 DECE Cc1ccc(CN=c2ncc(F)c[nH]2)c(O)c1Br 2327791627 DTJMMJWKHYBGJZ-UHFFFAOYSA-N 312.142 2.426 10 10 DECE CN(CC(F)(F)Br)C(=O)Cc1ccc(N)cc1 310405538 VOQFMMGJNSNJPB-UHFFFAOYSA-N 307.138 2.257 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CN)cc2)c1 186448611 VRABSAVWFWVKTN-NSHDSACASA-N 300.358 2.351 10 10 DECE CCO[C@H]1C[C@@](O)(CNCc2cc(OC)ccc2O)C1(C)C 188054285 GYPCWZYDAGZEBG-DOTOQJQBSA-N 309.406 2.057 10 10 DECE COc1ccc(-n2c(C)cc(C(=O)N3CC(CO)C3)c2C)cc1 184209181 DXXFUEIBFPEMQL-UHFFFAOYSA-N 314.385 2.167 10 10 DECE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)CC(C)(F)F 2144081137 RUEJUGJDQXQCLK-UHFFFAOYSA-N 306.378 2.464 10 10 DECE CCCN(CCC)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1 93885006 KZPVHQSRTAAUIL-IAGOWNOFSA-N 317.433 2.142 10 10 DECE CS[C@@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255753182 DSRYPDARGCQJAV-PODYEWJSSA-N 320.458 2.404 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CSC(=O)N1 282496856 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VDIRFIRGZBFCCZ-GRDNDAEWSA-N 322.405 2.152 10 10 DECE CCN[C@H](C)c1ccc(N(C)CC(N)=O)c(Br)c1 723170489 GTNFEQBQTLKJAQ-SECBINFHSA-N 314.227 2.041 10 10 DECE CN(C)Cc1cnn(Cc2c(O)cccc2Br)c1 2069892671 RCHPNGCKQLXZNZ-UHFFFAOYSA-N 310.195 2.461 10 10 DECE CCNC(=O)c1cc(C)nn1[C@@H](C)c1cc(OC)ccc1O 2070124194 WWVUVOOMUSFVAK-NSHDSACASA-N 303.362 2.265 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170655402 CRPHWGGCGQUALC-GARJFASQSA-N 303.399 2.137 10 10 DECE Cn1ncc(Br)c1C(=O)NCC1(CN=[N+]=[N-])CC1 2054030521 MFFUZJGGPHJZOZ-UHFFFAOYSA-N 313.159 2.003 10 10 DECE CCN(c1ccc(CO)c(Cl)c1)[C@H](C)CS(C)(=O)=O 2114019865 GLGYYTVABUXDAA-SNVBAGLBSA-N 305.827 2.092 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ncc(Br)cn1 2218743922 HJLKZNFYHCLCOJ-JGVFFNPUSA-N 311.143 2.200 10 10 DECE CNCc1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2219179765 IYVPLXVYGSFCKI-JQWIXIFHSA-N 317.202 2.078 10 10 DECE C[C@@H](CF)N(C)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2257950644 JNPFSCJOCGNLGE-UPONEAKYSA-N 317.158 2.229 10 10 DECE COc1ccc(Br)c(CNCC[C@@H]2CCO2)c1O 2264019382 JGDMYNCXBQJFDY-SECBINFHSA-N 316.195 2.432 10 10 DECE CN[C@@H]1CCC2(C[C@@H]1N(C)c1ccc(OC)cc1)OCCO2 2264356523 NFWYWWBOUBHJLP-CVEARBPZSA-N 306.406 2.015 10 10 DECE Cc1ccc(CN(C)C2[C@H]3CNC[C@H]23)c(O)c1Br 2327627257 TWHQGSFIAUGJCU-QWRGUYRKSA-N 311.223 2.113 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(Cl)c1 62980903 HYOXTIIWZIDSLG-JSGCOSHPSA-N 309.841 2.271 10 10 DECE CCC1(CC)CN(CN2CCNCC2)c2ccc(OC)cc2N1 75280913 NFIGLWBNYIRQLT-UHFFFAOYSA-N 318.465 2.349 10 10 DECE C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 318810038 WKFUCWZSXZFVPF-CQSZACIVSA-N 300.406 2.108 10 10 DECE C[C@@H](N(C)S(=O)(=O)CCOc1ccc(N)cc1)C(C)(C)C 78770674 VPLQVTYNZGFGOM-GFCCVEGCSA-N 314.451 2.344 10 10 DECE O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(F)c1 42266215 MGNXFUXLNXRFCW-UHFFFAOYSA-N 312.278 2.240 10 10 DECE Cc1nn(C)c(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 280731293 DOWPZXPBVWGSPP-SECBINFHSA-N 318.377 2.201 10 10 DECE Nc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 297337812 YEECUNUVFWIOGW-JKSUJKDBSA-N 324.380 2.460 10 10 DECE COc1cc(N(C)C[C@@H]2CCNC(=O)CC2)cc(OC)c1OC 294896217 GTHJZOVYLLGULS-LBPRGKRZSA-N 322.405 2.065 10 10 DECE CSCCNC(=O)NCc1cc(Br)ccc1O 804887062 DUDOKJMUPZUMBR-UHFFFAOYSA-N 319.224 2.317 10 10 DECE CCN(CC)c1ccc(CN2CCN(CCO)C[C@@H]2C)cc1 825337641 HSBMVLZZKWQZPU-INIZCTEOSA-N 305.466 2.031 10 10 DECE COc1cc(Cl)cc(CN2CC[C@](O)(C(F)F)C2)c1O 824726850 XIMPAVSRAQKWNV-CYBMUJFWSA-N 307.724 2.256 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCOC[C@H]2C)cc1 844855654 FPJCKUMRCHCOSI-PBHICJAKSA-N 320.433 2.262 10 10 DECE CO[C@@](C)(CO)CN[C@@H](C)c1ccc(Br)cc1O 848559305 RYAKVEBQGPIFGZ-TVQRCGJNSA-N 318.211 2.203 10 10 DECE O=S1(=O)Cc2ccccc2[C@H](NCc2cc(F)ccc2O)C1 857058737 TXCZZEUBWVBEQD-OAHLLOKOSA-N 321.373 2.291 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2nccn2C)c1 850571889 DKHJMZIKGMTFSB-WDEREUQCSA-N 303.362 2.324 10 10 DECE Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O 862026337 KWJVRZOPBLHYCL-ZIAGYGMSSA-N 322.368 2.094 10 10 DECE COC(=O)c1cc(OCC(=O)c2ccn(C)c2)ccc1N(C)C 865396295 NXCQPJFUQUUIOT-UHFFFAOYSA-N 316.357 2.139 10 10 DECE CCN(Cc1nnnn1C(C)(C)C)c1ccc(OC)c(OC)c1 766809238 DTLPENMBWUCKAY-UHFFFAOYSA-N 319.409 2.472 10 10 DECE COC(=O)c1cc(OCc2cc3n(n2)CCC3)ccc1N(C)C 865395142 KXOPQXMVDGBYLS-UHFFFAOYSA-N 315.373 2.261 10 10 DECE Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc3cccnc3c2O)cn1 862025050 MDEJFPIEHWFIOG-LSDHHAIUSA-N 322.368 2.094 10 10 DECE O=C(CCc1ccccc1O)NCCc1ccc(O)c(O)c1 770631734 USUBVBFHMACVQT-UHFFFAOYSA-N 301.342 2.095 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(C)(C)C)C1=O 895755934 RGFNSPSZMLGKBL-CQSZACIVSA-N 318.417 2.388 10 10 DECE OCc1ccc(N2CC(n3ccnc3)C2)c(Br)c1 707619718 FONASHHUWHCSLM-UHFFFAOYSA-N 308.179 2.199 10 10 DECE Oc1c(Br)cccc1CN[C@@]12CCCN(CC1)C2 714912565 SUGAHTUEDIAEME-AWEZNQCLSA-N 311.223 2.483 10 10 DECE COc1ccc(O)c([C@@H](C)N[C@@H](C)C2(S(C)(=O)=O)CC2)c1 797072726 ZFWIODDDJVZXAJ-MNOVXSKESA-N 313.419 2.017 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)c1ccc(CO)nc1 1304090742 QDCRNFIODOLQPY-UHFFFAOYSA-N 308.337 2.363 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1nnc2ccccc2n1 1305085384 WTMWZNPTZIRONP-UHFFFAOYSA-N 314.732 2.314 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccn2nccc12 1361102407 QQZRLELPWNOZOB-UHFFFAOYSA-N 322.368 2.440 10 10 DECE Cc1cc(N2CCCC2)ccc1/C=C1/NC(=S)N(C)C1=O 464054 HYNICPDTWRKXAI-GXDHUFHOSA-N 301.415 2.283 10 10 DECE CN(C)c1ccc(CNC(=O)c2snc(O)c2Cl)cc1 1539050506 UYNQRCPKZLGICM-UHFFFAOYSA-N 311.794 2.498 10 10 DECE CON(C)C(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1 1626889074 SKDDWWPYTNYQBG-UHFFFAOYSA-N 306.343 2.339 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2conc2C)cc1C 1480528305 FELIWZVAGKNGGW-GFCCVEGCSA-N 317.389 2.208 10 10 DECE CC1(C)C[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)O1 1624874431 SUOQOZFRCGTBMR-HNNXBMFYSA-N 318.333 2.063 10 10 DECE COc1ccccc1CCC(=O)NCc1cc(O)ccc1O 1637122590 JFCWZTWRAPPUBJ-UHFFFAOYSA-N 301.342 2.355 10 10 DECE C/C(=C\C(=O)NCc1ccc2cccnc2c1O)c1cnccn1 1638573402 VUPRKPYQWNIJNF-FMIVXFBMSA-N 320.352 2.450 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC=C(C(F)(F)F)CC1 1567285440 NCXIVKAYGWXMSE-UHFFFAOYSA-N 301.264 2.361 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]([C@@H](N)c2ccccc2O)CO1 1894727952 MNSCCYDRQDTVPJ-ZLDLUXBVSA-N 322.405 2.416 10 10 DECE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O 1989690747 WGFXUJIMSPEUBO-QWRGUYRKSA-N 324.377 2.414 10 10 DECE CS[C@@H]1CNC[C@@H]1Nc1c(N)cccc1Br 1994746269 VMQQLFYRBUYEOS-VHSXEESVSA-N 302.241 2.147 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCc2nncn2C1 2159984547 OGBFZNMIGNEADT-JTQLQIEISA-N 313.188 2.395 10 10 DECE Oc1cccc(Br)c1CNC[C@@H]1CCN1C1CC1 706883583 PJSPVTUJWJUACC-NSHDSACASA-N 311.223 2.481 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2NCC[C@@H]2C1 691488836 TUWHOZAOEKAQJB-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE CCNCc1cc(F)c(N(C)[C@H](C)C[S@@](C)=O)c(F)c1 398873356 CZNIBNULNWUWSU-CFMSYZGJSA-N 304.406 2.278 10 10 DECE CCCN(CCS(C)(=O)=O)[C@H](C)c1cc(F)ccc1O 2170135006 ZQABTUSXCGVGER-LLVKDONJSA-N 303.399 2.349 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234167115 UGNFQVLRBMIUBC-KYXWUPHJSA-N 308.354 2.429 10 10 DECE C[C@H]1CCC[C@H]1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168023 MJCGXVWQXYRPKL-QPUJVOFHSA-N 300.336 2.231 10 10 DECE COC(=O)c1cncc(CNCc2cnc(SC)s2)c1 2284498886 NPCMMWCUOJLRKI-UHFFFAOYSA-N 309.416 2.336 10 10 DECE CN=c1ccc([N+](=O)[O-])c(NCc2cnc(SC)s2)[nH]1 2284708016 ABSIUZGDRSOFKE-UHFFFAOYSA-N 311.392 2.244 10 10 DECE CN(Nc1nc(C(F)(F)F)cs1)S(=O)(=O)C1CCC1 2339724609 RWRODBHSCWYNBV-UHFFFAOYSA-N 315.342 2.303 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H](N3CCOCC3)C2)cc1Cl 78928020 OXCMUBPXNQCWOL-OCCSQVGLSA-N 309.841 2.271 10 10 DECE CCOC(=O)[C@@](CSc1nccs1)(NC)C(C)(C)OC 2366311406 PUDMYPIEZRNBBO-CYBMUJFWSA-N 318.464 2.182 10 10 DECE COc1ccc([N+](=O)[O-])cc1NC(=S)NCc1ccccn1 244181441 VJIZKYXXNMPESO-UHFFFAOYSA-N 318.358 2.485 10 10 DECE CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1c(F)ccc(O)c1O)CC2 276586536 MMIMSUPKFSUOCM-RYUDHWBXSA-N 322.380 2.324 10 10 DECE COc1cccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c1O 374685536 FAKIXDNOWBXRLZ-PBHICJAKSA-N 321.417 2.058 10 10 DECE NC(=O)[C@H]1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1 816553543 ZBBRFAQJFQYOAD-WPRPVWTQSA-N 300.761 2.318 10 10 DECE CCc1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 825079091 LHDOMUZDNLGQOS-UHFFFAOYSA-N 314.433 2.279 10 10 DECE O=S1(=O)CCN(Cc2cc(Cl)ccc2O)[C@H]2CCC[C@H]21 825202808 VMSKAVSOCXMZTK-GXTWGEPZSA-N 315.822 2.197 10 10 DECE CCOc1ccc(CNC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848561966 FCIGTIIDLNBPPY-KFWWJZLASA-N 322.449 2.378 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 843433681 GKXNSODOADSRNR-JUPLKNRCSA-N 315.417 2.196 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CO[C@H](C3CC3)C2)c1 858911958 QTDDKGAMYVFKRW-IETSOEAISA-N 320.389 2.329 10 10 DECE CC(C)CN1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 921427125 YEVNGWNTZZTWLK-CYBMUJFWSA-N 323.412 2.308 10 10 DECE O[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 850389528 YZDJQRHVRCLXAO-IAGOWNOFSA-N 320.408 2.055 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn(C(F)F)n1 935947907 HKLPLTMRESFUST-UHFFFAOYSA-N 316.304 2.400 10 10 DECE COc1ccccc1N1CC[C@H](NC(=O)c2cc(O)cs2)C1 757438786 WQCPHLMUGIKTNR-NSHDSACASA-N 318.398 2.471 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCN1C(C)(C)C 935944992 HAGAMQIBEJJSTJ-GFCCVEGCSA-N 311.422 2.367 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)C(F)(F)F)c1 866462909 CXQJWWSIDMKBAU-SXMVTHIZSA-N 321.295 2.141 10 10 DECE COc1ccc(CCC(=O)NCc2cccc(OC)c2O)cn1 896115258 CNPNNGLHDHVOPF-UHFFFAOYSA-N 316.357 2.053 10 10 DECE Cc1nnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 1137550974 WAFBGADOLVGKOE-SSDOTTSWSA-N 302.294 2.031 10 10 DECE O=C(N1CCC[C@@H](CNCc2ccccc2O)C1)C(F)(F)F 689411654 FVEOHCPVDYERIR-NSHDSACASA-N 316.323 2.283 10 10 DECE COc1ccc2c(c1)CCCN2C[C@@H](O)COC[C@H]1CCCO1 797723296 ZFNIBOZKCFKVEU-NVXWUHKLSA-N 321.417 2.004 10 10 DECE CN([C@@H]1CCCSCC1)S(=O)(=O)Cc1ccc(N)cc1 692364864 SLYDBEOCAUEWBA-CQSZACIVSA-N 314.476 2.316 10 10 DECE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1-n1cnnn1 1151886142 WVFDRLMLABLWSL-GFCCVEGCSA-N 323.356 2.167 10 10 DECE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)cc1O 1658517913 PLJJUJQPSGKXCI-VHSXEESVSA-N 305.827 2.299 10 10 DECE Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(N)cc1F 1447566058 WKRIPVCSBISVCZ-JTQLQIEISA-N 318.348 2.489 10 10 DECE Cc1ccc([C@@H](C)[C@H](O)C(=O)NCc2c(O)cccc2O)cc1 1456234938 KESCMPHIYKRQCY-PXAZEXFGSA-N 315.369 2.187 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc(F)c(F)c(O)c1F 1455318069 ZPWRNGNIERFEAY-UHFFFAOYSA-N 313.231 2.151 10 10 DECE O=C(COc1ccc(F)cc1F)NCc1ccc(O)cc1O 1451767153 LKNADSRQDRJUGJ-UHFFFAOYSA-N 309.268 2.071 10 10 DECE Cn1cnc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)c1 1616591217 XZBRLUXYBDJVNE-DJWKRKHSSA-N 305.284 2.137 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C)CC2)cc1C 1716675013 VRJLRAOZRCHSHM-SWLSCSKDSA-N 302.418 2.398 10 10 DECE Cc1noc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 1631658740 BKTYRDLIHZCQQU-UHFFFAOYSA-N 319.342 2.276 10 10 DECE O=C(Cc1ncc[nH]1)Nc1c(-c2ccccn2)nc2ccccn12 1641971979 JUZGHHKIDYBXCN-UHFFFAOYSA-N 318.340 2.301 10 10 DECE C[C@H]1Cc2cc(CNC(=O)c3c(F)ccc(O)c3O)ccc2O1 1641843206 DJQWMCMGWYTZKW-VIFPVBQESA-N 317.316 2.490 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCN=[N+]=[N-])C[C@H]21 1962303872 JGHWMVJNPZAVFO-NEPJUHHUSA-N 311.386 2.007 10 10 DECE CC[C@@H]1SC(=S)N(CC(=O)N(C)c2ccccc2)C1=O 11635674 KCTYRLBCRAJMRJ-NSHDSACASA-N 308.428 2.288 10 10 DECE CC(C)C(=O)N[C@H]1CCCN(CCCOc2ccc(N)cc2)C1 586066191 RKAQCYFPWXBOER-INIZCTEOSA-N 319.449 2.274 10 10 DECE Oc1cccc(Br)c1CNCc1nncs1 1938083807 UWJSRQVTGKJLIO-UHFFFAOYSA-N 300.181 2.296 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCCCCN=[N+]=[N-] 1895874809 CHXUWYQDQZIORM-SRVKXCTJSA-N 323.397 2.449 10 10 DECE Oc1cc(F)ccc1CNCc1n[nH]cc1Br 1964559610 FSUCRWFUEGFZDS-UHFFFAOYSA-N 300.131 2.307 10 10 DECE CCc1nsc(SC[C@H](O)COc2ccc(N)cc2)n1 130873663 WAOZVLZNOWIMQW-SNVBAGLBSA-N 311.432 2.215 10 10 DECE COc1cccc(CN[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1O 1973222013 LJNBLJRLYVFLGC-CHWSQXEVSA-N 322.405 2.404 10 10 DECE COc1ccc(N(Cc2ccccc2)CC2(O)CNC2)c(C)c1 1977744754 RNMNKUAXJBUULY-UHFFFAOYSA-N 312.413 2.345 10 10 DECE Nc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1 37908885 MVTAOLNOQFXADO-UHFFFAOYSA-N 302.277 2.487 10 10 DECE CN(CCn1ccnc1)c1ccc(CN)cc1Br 2032111925 MOBUECFHKBEBBC-UHFFFAOYSA-N 309.211 2.241 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H](C)CC(N)=O)cc1Br 2033931215 ATWRHPHKGBDXAE-IUCAKERBSA-N 315.211 2.203 10 10 DECE CNCc1ccc(N2CC[C@H](O)[C@H](C)C2)c(Br)c1 300499417 VMFUKVJAGTVQHQ-YGRLFVJLSA-N 313.239 2.376 10 10 DECE Cc1cc(CS(=O)(=O)Nc2ccc(O)cc2Cl)no1 85205120 MJTWJBSTSMATGT-UHFFFAOYSA-N 302.739 2.284 10 10 DECE C[C@H]1CN(c2ccc(CO)cc2Br)C[C@@H](C)[C@@H]1O 688082149 DSUKJTSJYQTZRJ-MSRIBSCDSA-N 314.223 2.395 10 10 DECE NCc1cc(F)c(N2CCN(CCCF)CC2)cc1Cl 2177382109 WBHQSNXIJRREQN-UHFFFAOYSA-N 303.784 2.419 10 10 DECE CN([C@H]1CCCC[C@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2175588981 ILODEANSPYOLGI-KGLIPLIRSA-N 300.399 2.311 10 10 DECE COCCN(c1c(F)cc(CO)cc1F)[C@@H]1CCSC1 2170156773 JBDJGSKLHJAHNR-LLVKDONJSA-N 303.374 2.415 10 10 DECE CN[C@@H](C)c1cc(F)c(N2CCC[S@](=O)CC2)c(F)c1 2194710212 PSGCULXALFEIRD-FVINQWEUSA-N 302.390 2.204 10 10 DECE NCc1ccc(N2Cc3cncnc3C2)cc1Br 2085305751 PZTLFRXUECVREY-UHFFFAOYSA-N 305.179 2.218 10 10 DECE CSc1ncc(CNC(=O)c2cnc(Cl)cn2)s1 2257116249 KRWRDOPCAATHMK-UHFFFAOYSA-N 300.796 2.238 10 10 DECE Cc1ccc(Cn2cncc2CCN)c(O)c1Br 2327583908 AAUAPZIWQMNCRB-UHFFFAOYSA-N 310.195 2.209 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H]2CO)c(O)c1Br 2327624912 WIXPMUKMKDXMFD-SDDRHHMPSA-N 312.207 2.276 10 10 DECE CCCC[C@H](N)CNCc1ccc(N2CCN(CC)CC2)cc1 107797534 MNFKXFGYCMNZCT-SFHVURJKSA-N 318.509 2.436 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1cccc(O)c1O 1952446857 CYCRLVWQXDZBRW-GFCCVEGCSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1cc(N)ccc1O)C2 1894531886 CCFBYVRDCYADNW-SJCJKPOMSA-N 319.405 2.073 10 10 DECE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1 1952709896 JCZZBXGKKZOHAJ-NWDGAFQWSA-N 310.394 2.271 10 10 DECE OCC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 189957541 HHYOSXJTCBMDQM-WMZOPIPTSA-N 304.434 2.164 10 10 DECE CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1 188741858 ANEKCOBGHQBHSB-AWEZNQCLSA-N 322.449 2.068 10 10 DECE O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21)N1CCn2cncc2C1 72164118 CXWVBRKPVPJPCT-UWWQBHOKSA-N 320.396 2.379 10 10 DECE C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])O1 2364101525 RJCCWOKTKVLDFP-WOPDTQHZSA-N 302.400 2.049 10 10 DECE C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 132741643 UEZKCYADCYQLPE-CZUORRHYSA-N 320.458 2.424 10 10 DECE N[C@H](CO)c1c(C(F)(F)F)ccc(Br)c1O 95718205 LIXRSGRSQIEUKI-ZCFIWIBFSA-N 300.074 2.166 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 245645674 BMJRSESKYKNLRW-JUMAROTDSA-N 303.358 2.185 10 10 DECE CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 529681279 XGQBEBVIWWYCCQ-LRAJWGHMSA-N 309.431 2.276 10 10 DECE CC(C)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 707273919 FTRXGELDXPITSF-AWEZNQCLSA-N 314.476 2.172 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 808497409 ZQYUKQGNKPQBFF-UHFFFAOYSA-N 307.302 2.207 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2nn(C)cc2C)c1 826064128 FJSHHAXBGVCXQF-JTQLQIEISA-N 304.350 2.325 10 10 DECE COc1ccc(N(C)Cc2cn(CC3CC3)nn2)c(OC)c1 828474957 VOLPMZNXOCZXMY-UHFFFAOYSA-N 302.378 2.342 10 10 DECE Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cnccn1 669369629 CNIFYERZUPHFSG-WDZFZDKYSA-N 316.411 2.373 10 10 DECE CCOc1ccc(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)c(O)c1 903982185 MPMWEEAMVQIZGT-VXGBXAGGSA-N 304.312 2.112 10 10 DECE C/C(=C/c1ccccn1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 848394064 MODNXKMAJMKJLM-FFWXCITRSA-N 324.428 2.367 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1COC2(CCCC2)O1 921786609 IYNDCCVKCYUYLD-NSHDSACASA-N 324.352 2.016 10 10 DECE C[C@H]1[C@H](NC(=O)NCCCSc2nccs2)CCN1C 921447744 RJGRRIFVPZRPQW-WDEREUQCSA-N 314.480 2.017 10 10 DECE CCC(CC)(CO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223100 DYNVVDCTDPHOSB-CQSZACIVSA-N 320.433 2.189 10 10 DECE C[C@@H](NCCN1CCC(N)CC1)c1cc2c(cc1O)CCCC2 925809857 AZWGRGUEFYIZHX-CQSZACIVSA-N 317.477 2.345 10 10 DECE CCN(C)c1ccc([C@@H](C)N[C@H]2CCc3nnn(C)c3C2)cc1 927152447 USALDCFUBLAOCF-HIFRSBDPSA-N 313.449 2.479 10 10 DECE CN1C[C@@H](N(C)C/C=C\c2ccc(N(C)C)cc2)CCC1=O 862428441 QIFZNLHKTRUULL-OSJSJHBBSA-N 301.434 2.318 10 10 DECE C[C@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)O)c1ccc(N(C)C)cc1 872857403 DLRSYUNNNPICOW-CQDKDKBSSA-N 304.390 2.431 10 10 DECE CC(C)C(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775646747 NPEBXHJIYFTRBU-UHFFFAOYSA-N 314.788 2.485 10 10 DECE NCc1ccc(N2C[C@H]3COC[C@H]3C2)c(F)c1Br 718144504 FIKYWAHUTRTTLD-AOOOYVTPSA-N 315.186 2.130 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@H]4C3)c(Br)cc21 699226269 BMTNKWQGLJUABF-UPFKWVMWSA-N 322.206 2.247 10 10 DECE Cc1cc(C)n(CC(=O)NCc2ccc3cccnc3c2O)n1 1162607022 FLJZMHRPSZXBFI-UHFFFAOYSA-N 310.357 2.070 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@](O)(C2CC2)C1 1350716976 JJBRUQXQOOQNJS-MRXNPFEDSA-N 319.382 2.300 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc(CO)c(F)c2)cc1 1440642820 ANPIGDIODQHRQU-UHFFFAOYSA-N 302.349 2.314 10 10 DECE C[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1O 1557967021 UJCMTPQGHWMFHN-GFCCVEGCSA-N 308.341 2.464 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1c(O)cccc1O 1558536155 VALGGEVNEKYECL-GHMZBOCLSA-N 321.373 2.082 10 10 DECE Cc1n[nH]c(C)c1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1635463717 JVIJFDCZVUDVIV-UHFFFAOYSA-N 314.349 2.161 10 10 DECE C[C@H](NC(=O)c1cc(-c2ccn(C)n2)on1)c1ccccc1O 1648894474 MVTKNTUDLGHJEI-JTQLQIEISA-N 312.329 2.272 10 10 DECE COc1ccc(CC(=O)NCc2cc(C)ccc2O)cc1O 1645804953 NGGUTXSNXNLUTR-UHFFFAOYSA-N 301.342 2.274 10 10 DECE CCC(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1593873428 PAXYWDBNPGRLOV-UHFFFAOYSA-N 314.341 2.376 10 10 DECE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CC[C@@H]1OCc1ccccc1 1934874714 OLMVZGLTMCJXKP-DZGCQCFKSA-N 304.350 2.479 10 10 DECE COc1cc(CCNC(=O)N[C@H](C)c2ccccc2O)ccn1 1683233060 KFFOYYRHPLISLI-GFCCVEGCSA-N 315.373 2.399 10 10 DECE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(CCCN=[N+]=[N-])C1 1962298898 IQDCUZAGHBZKLJ-NXEZZACHSA-N 307.320 2.466 10 10 DECE Cc1ccc(C)c(NC(=O)CN2C(=O)[C@@H](C)SC2=S)c1 11635375 WRQPJFXJUCECST-SNVBAGLBSA-N 308.428 2.491 10 10 DECE NC(=O)C1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 163923077 QMQAZKMXKQLCTF-UHFFFAOYSA-N 307.825 2.294 10 10 DECE COC(=O)C1CCN(/N=N/c2cc([N+](=O)[O-])ccc2OC)CC1 1860484013 ULCKECAVFREDEG-FOCLMDBBSA-N 322.321 2.487 10 10 DECE Nc1ccc(Cn2nnc3cc(Br)cnc32)cc1 585874293 SIXVRGWWWZBPFO-UHFFFAOYSA-N 304.151 2.219 10 10 DECE CC(C)(C)OC(=O)NCCSCC(=O)NCCCN=[N+]=[N-] 1963703662 DIEQTBVGOJWVTD-UHFFFAOYSA-N 317.415 2.061 10 10 DECE C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1977677165 XYIUIZOMXMJDOJ-GFCCVEGCSA-N 321.421 2.183 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)c1nnc(Br)s1 1985864066 PKHANDKCLXJITJ-UHFFFAOYSA-N 305.161 2.073 10 10 DECE COC[C@H](C)S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152912664 LIXMCSMXJGMKON-ZETCQYMHSA-N 313.297 2.188 10 10 DECE CNCc1ccc(N2C[C@@H]3C(N(C)C)[C@H]3C2)cc1Br 384869733 IHJFKFHJLWLFRH-STQMWFEESA-N 324.266 2.165 10 10 DECE CCn1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1C 2064776393 GKHKTTALVFCVPM-NSHDSACASA-N 303.362 2.417 10 10 DECE CCc1nn([C@H](c2ccc(C)cc2O)C2CC2)c(N)c1C(N)=O 2079126660 BNRGITAONGPAQI-HNNXBMFYSA-N 314.389 2.140 10 10 DECE CN(CCC(=O)N(C)C)Cc1cccc(Br)c1O 2068196885 SZXJEBUICPUIMT-UHFFFAOYSA-N 315.211 2.065 10 10 DECE CN(C)CCN(CCN)Cc1cc(Cl)cc(Cl)c1O 2265850035 UIDLPGGCWLBVLI-UHFFFAOYSA-N 306.237 2.021 10 10 DECE CSc1ncc(CNC(=O)[C@]23CCC[C@]2(C(=O)O)C3)s1 2284535696 BVFJOWBUZKAJBB-CHWSQXEVSA-N 312.416 2.126 10 10 DECE OCC(F)(F)C(F)(F)CNCc1cc(Cl)ccc1O 2336523582 AYHOIVZUQJDCNI-UHFFFAOYSA-N 301.667 2.398 10 10 DECE Oc1ccc2ccccc2c1CN1CC[C@@H](N2CCOCC2)C1 172961086 VTPKJFHYSDBNMN-MRXNPFEDSA-N 312.413 2.452 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCn3ccnc3C2)c1O 62254114 GZTRIYQKLCYGFK-UHFFFAOYSA-N 305.765 2.461 10 10 DECE C[C@H](N)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1 303798925 XXTFKCBPMCNGLM-AWEZNQCLSA-N 309.413 2.385 10 10 DECE Oc1ccc(I)cc1[C@H]1NCC[C@@H]1F 1952824291 ANXSMKZYSQECRD-WCBMZHEXSA-N 307.106 2.369 10 10 DECE CCCOc1ccc(CNCc2cc(C(N)=O)co2)c(O)c1 189418623 STAYRXTZJRKOBC-UHFFFAOYSA-N 304.346 2.163 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]1c1ccc(O)c(O)c1 1952825127 HFTDMEPHDPBDHW-ZWNOBZJWSA-N 323.345 2.481 10 10 DECE CN(C[C@H]1CCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2360441025 SYURGERBRWZWRU-LLVKDONJSA-N 304.362 2.076 10 10 DECE CC(C)N(C[C@H](O)COc1ccc(N)cc1)CC(F)(F)F 42739177 UDPIVYUUZIRUPK-LBPRGKRZSA-N 306.328 2.281 10 10 DECE Cc1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H](C)C2)c1O 192067465 ZHCVKMDONQWBEE-SNVBAGLBSA-N 317.838 2.221 10 10 DECE COc1ccc(N2CCC(N3CCc4[nH]cnc4C3)CC2)cc1 95363626 CLUFBZHKEZUDSK-UHFFFAOYSA-N 312.417 2.445 10 10 DECE COc1ccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c(O)c1 92103376 OMYFEYNXWUHQHL-NSHDSACASA-N 318.339 2.469 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@H](C2)O3)c(F)c1Br 231840260 ZPOKEAFXSRSUME-AOOOYVTPSA-N 315.186 2.415 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1(C)C 1895876295 UDSQWEZNRYNTAP-GMTAPVOTSA-N 323.397 2.447 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)[C@H]2C[C@H]21 1895875012 DWMPYRVWIMJDIN-WHOHXGKFSA-N 321.381 2.057 10 10 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2.409 10 10 DECE CN(C1CCCCC1)S(=O)(=O)Nc1ccc(O)c(F)c1 2145852653 CBTCJWCARLWHOV-UHFFFAOYSA-N 302.371 2.453 10 10 DECE C[C@H](O)c1ccc(N2CC3(CC(O)C3)C2)c(Br)c1 2029661075 YJIAJDQUFWHWCC-VIFPVBQESA-N 312.207 2.464 10 10 DECE COC(=O)CCCN1C(=O)C(=Cc2cccnc2)SC1=S 2040489205 JDKMXFGZVACNQI-UHFFFAOYSA-N 322.411 2.236 10 10 DECE CN1CCCc2cc(C=CC(=O)NCCc3cnn(C)c3)ccc21 2041179954 TWXKJYIISUWNLP-UHFFFAOYSA-N 324.428 2.175 10 10 DECE C[C@H]1C[C@H](C(=O)O)N(Cc2c(O)cccc2Br)C1 2041344107 YXDMJPOIAYFINN-GZMMTYOYSA-N 314.179 2.450 10 10 DECE CCNCc1ccc(N(CC)CCOCCO)cc1Cl 312473590 VFUZNNJWKUYYJI-UHFFFAOYSA-N 300.830 2.285 10 10 DECE Oc1cccc(Br)c1CN1C[C@H]2CNC[C@@H](C2)C1 719065913 QELCYKTWVKGBOD-GHMZBOCLSA-N 311.223 2.196 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ccccc1O 907055076 DBCLQGACYVVMEW-STQMWFEESA-N 320.389 2.169 10 10 DECE NCc1cc(F)c(N2CCC([C@@H](F)CO)CC2)cc1Cl 2177383958 SSFYEOWDMHGQSL-ZDUSSCGKSA-N 304.768 2.485 10 10 DECE CCc1nn([C@H](c2ccc(OC)cc2O)C2CC2)c(N)c1CO 2079980037 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Oc1ccccc1CN(C[C@H](O)C(F)(F)F)C[C@H]1CCCO1 121591381 QZOJJBCGIONITE-OCCSQVGLSA-N 319.323 2.296 10 10 DECE CCN(CC)c1ccc(CN[C@]2(C)CCS(=O)(=O)C2)cc1 36944021 DKWRFWCEWAMXSK-MRXNPFEDSA-N 310.463 2.200 10 10 DECE COc1cc(N2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OC 317231153 IRMIXWPVDVZCSQ-LLVKDONJSA-N 310.350 2.211 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(C)=O)cc1 194648555 KAGSQTFJTKGTBS-QGZVFWFLSA-N 317.433 2.160 10 10 DECE CCN1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1=O 190493637 GWIAUZVTRQEGCN-UHFFFAOYSA-N 311.385 2.356 10 10 DECE CC(C)(C)[C@H](O)C[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)OCO3)C1 250688955 IGNFRHMVYJCHPZ-OGHNNQOOSA-N 320.433 2.366 10 10 DECE Cc1cncc(/C=C\C(=O)N(CCC(N)=O)c2ccccc2)c1 255554807 OPEKMUBVVCVUJZ-FPLPWBNLSA-N 309.369 2.312 10 10 DECE CC(=O)C(=O)COC(=O)CCCOc1ccc2c(c1)CCCC2 808528305 WZWUCYULSZWVTL-UHFFFAOYSA-N 318.369 2.426 10 10 DECE C[C@]12CCN(C(=O)c3c(F)ccc(O)c3O)C[C@H]1C2(F)F 295217587 ASFFCWBAFRINOO-RNCFNFMXSA-N 301.264 2.354 10 10 DECE 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C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(Br)cc1O 850545723 DQANWCSWLNOXMG-SCZZXKLOSA-N 313.195 2.084 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1 853456402 JBZSWRRTPFEDJO-MAUKXSAKSA-N 317.433 2.199 10 10 DECE CCS(=O)(=O)C1(CN[C@@H](C)c2cc(OC)ccc2O)CC1 850558343 QIVCTVBTAJZABK-NSHDSACASA-N 313.419 2.019 10 10 DECE COc1ccc(N2CC[C@H](N[C@H](C)[C@H]3CCCCN3)C2)cc1 854217682 OPLGFWJTGFLPQW-RVKKMQEKSA-N 303.450 2.394 10 10 DECE C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C 852689507 DHAQUXDLRYFWQR-LBPRGKRZSA-N 301.394 2.047 10 10 DECE O=C(NCc1c(O)cccc1F)[C@]1(c2ccccc2)C[C@H](O)C1 928710179 PJVYVAPAOSMFCW-QGGXVJLZSA-N 315.344 2.240 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CCOCC(C)C)C2)cc1 855231807 MHWVVNLTDPSDFN-OAHLLOKOSA-N 320.433 2.453 10 10 DECE C[C@@H](CN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1)C(C)(C)C 872167469 KZEPKLWFXNQYBN-JTQLQIEISA-N 320.393 2.247 10 10 DECE COCCCCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773083890 KPCYZCDNMPAFFP-ZDUSSCGKSA-N 314.451 2.160 10 10 DECE CCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 897735942 YIEKFYZLBUWDHC-SNVBAGLBSA-N 320.414 2.479 10 10 DECE C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccc(N(C)C)cc1 1226646818 IIAGUBUFNRIJEH-XEZPLFJOSA-N 305.422 2.226 10 10 DECE CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1327898397 AATJQODYJIXNCN-CYBMUJFWSA-N 319.449 2.310 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H](N2CCC(CN=[N+]=[N-])CC2)C1 1912190137 ZNMLXOKZOQLUNG-QWHCGFSZSA-N 300.428 2.365 10 10 DECE O=C(CCCn1ccnc1)NCc1ccc2cccnc2c1O 1451957420 SWFOOLHDLKCSJO-UHFFFAOYSA-N 310.357 2.234 10 10 DECE O=C(NCc1cccc(O)c1O)c1cnn(-c2ccccc2)c1 1471642876 AVPZRHPAZZEBPT-UHFFFAOYSA-N 309.325 2.214 10 10 DECE CCCc1[nH]nc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] 1471196068 SQLSIQUBJHEVAP-SECBINFHSA-N 318.333 2.467 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cccc2nsnc12 1636022299 HMXPRPLEQKMEMP-UHFFFAOYSA-N 315.354 2.075 10 10 DECE COCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@@H]1C 1725559935 NYIBARNOEPDRDX-GOEBONIOSA-N 320.433 2.119 10 10 DECE Cc1oc2ncnc(O)c2c1C(=O)NCc1c(O)cccc1F 1646029224 RYKMTOLVYLLYMH-UHFFFAOYSA-N 317.276 2.012 10 10 DECE O=C([C@@H]1CC(c2ccccc2)=NO1)N1Cc2cccc(O)c2C1 1650673086 RADGRSQXNZVSEQ-KRWDZBQOSA-N 308.337 2.428 10 10 DECE CCNC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1587321544 YETMKBUUMVEHTD-UHFFFAOYSA-N 314.341 2.029 10 10 DECE COc1ccc(C)cc1CNC(=O)c1c(F)ccc(O)c1O 1654250901 VLGRKVIXROYXKW-UHFFFAOYSA-N 305.305 2.484 10 10 DECE Cc1cccc(O)c1CNCc1nn(C)cc1Br 877564559 FHLKKEACVFLPQW-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COc1ccc(Br)c(CN[C@@H]2CCCOC2)c1O 1964033013 QHAKWQYWSIYGQG-SECBINFHSA-N 316.195 2.432 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145047159 DPWJWPJLGHUWKM-RULNRJAQSA-N 315.822 2.017 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc(N)ccc2O)C1 1977896235 KMKMIIAVBIREBX-CQSZACIVSA-N 321.421 2.464 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CS4)c(Cl)cc21 320926868 FMWNIOPZLCJXKA-HHURGBBESA-N 309.822 2.247 10 10 DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cccc(F)c1Br 382747506 NZXUZQYBAVKOQI-VIFPVBQESA-N 316.134 2.015 10 10 DECE C[C@@H]1[C@H](N(C)C)CCN1c1ccc(CN)c(Br)c1 386577592 ZBJIODUEUOMFKB-QMTHXVAHSA-N 312.255 2.437 10 10 DECE COCCN(c1c(F)cc(CN)cc1F)[C@@H]1CCSC1 2170129032 IOSIRBQAEAEJEL-LLVKDONJSA-N 302.390 2.382 10 10 DECE CSCC1(C)CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 2182706149 RNUXOQOBZPVTOE-LBPRGKRZSA-N 311.838 2.481 10 10 DECE CN(Cc1cn(C)cn1)c1ccc(CN)cc1Br 2042257716 YTZSWPZSJHIPGS-UHFFFAOYSA-N 309.211 2.278 10 10 DECE OCc1ccc(N2C[C@@H]3C[C@@H](CO)[C@@H]3C2)c(Br)c1 2053989932 SQKDDYKHSGSVCW-SDDRHHMPSA-N 312.207 2.006 10 10 DECE CN1CCc2cc([C@H](O)c3nn(C)cc3Br)ccc21 2106797457 AZESABMSMWTIDA-AWEZNQCLSA-N 322.206 2.257 10 10 DECE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CO)c(Cl)c1 2114227640 KHPBFRSDZMLMPD-NXEZZACHSA-N 305.827 2.090 10 10 DECE Oc1ccc(Br)cc1CNC[C@]1(F)CCOC1 2208784312 QGNXGIRKTKJUES-GFCCVEGCSA-N 304.159 2.373 10 10 DECE CN[C@@H](C)c1cnc(SCCOCCOCCOC)s1 2240421193 ISJQLYNUNFXLNQ-NSHDSACASA-N 320.480 2.195 10 10 DECE COCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1C 2294474402 PLQZRRIUSFHSJJ-UHFFFAOYSA-N 317.389 2.318 10 10 DECE O=C(C=Cc1ccc(N2CCOCC2)cc1)OC[C@@H]1CCOC1 2297507210 WRCAPIVSUMYTBV-MRXNPFEDSA-N 317.385 2.116 10 10 DECE Cn1cnc(Br)c1[C@@H](O)CCc1ccc(N)cc1 2315524304 RUHCRRYPGZIEQD-NSHDSACASA-N 310.195 2.431 10 10 DECE O=C(O)[C@H]1CCN[C@@H](c2c(O)cccc2Br)C1 1952576908 IOPHICMZWNHAMP-IONNQARKSA-N 300.152 2.280 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CC[C@H](CN3CCCC3)C2)c1 172646975 UAQYSZBRLLBCEI-CYBMUJFWSA-N 305.378 2.218 10 10 DECE C[C@H](N)c1ccc(N2CCS(=O)CC2)c(Br)c1 61697173 BOFDZEQGZODCRU-VIFPVBQESA-N 317.252 2.038 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 1352658673 XINNSAHSPGKJGE-GOGUNFLPSA-N 311.381 2.108 10 10 DECE CC(C)N1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 122758974 MDPBBAMHAPVDPZ-AWEZNQCLSA-N 306.406 2.019 10 10 DECE CC1=NNC(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O 33530735 FLQKROPFSXNURY-GHXNOFRVSA-N 316.748 2.429 10 10 DECE COc1ccc(N2CCN(C(=O)OC[C@H]3CCCO3)CC2)cc1 286394041 DXKPKTRVKNSSON-MRXNPFEDSA-N 320.389 2.133 10 10 DECE OCCN(Cc1cc(Cl)c(F)cc1O)C1CCOCC1 294635822 JXYXMLGJFUBMCZ-UHFFFAOYSA-N 303.761 2.158 10 10 DECE CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(O)c1O 382706425 FONLLPKYBAPOEY-YPMHNXCESA-N 322.405 2.268 10 10 DECE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1O 295455605 VLXHKJGPZCVLRK-RKDXNWHRSA-N 323.817 2.438 10 10 DECE CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(O)c1O 382706422 FONLLPKYBAPOEY-DGCLKSJQSA-N 322.405 2.268 10 10 DECE C[C@@H]1CC[C@H](O)CN1Cc1cccc(Br)c1O 817415015 QZZSJYRCLAJZGH-KOLCDFICSA-N 300.196 2.500 10 10 DECE COc1cc(CC(=O)NCc2ccc(N(C)C)cc2C)ccn1 827962899 WCNFSFNOHOBBOM-UHFFFAOYSA-N 313.401 2.324 10 10 DECE CCOC1CC(O)(CNC/C=C\c2ccc(N(C)C)cc2)C1 835047535 BAALVFUAGZQJRB-WAYWQWQTSA-N 304.434 2.285 10 10 DECE COc1ccc(CNC(=O)NCCCC2CCOCC2)c(O)c1 836502311 IABYJUVWUATJHF-UHFFFAOYSA-N 322.405 2.407 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 907272682 HOJQBFIOEMQHRG-WCQYABFASA-N 307.390 2.350 10 10 DECE CCN(CC)c1ccc(CN[C@@H](CO)c2ccnn2C)cc1 839178928 JDNDQJQUKTXXQS-INIZCTEOSA-N 302.422 2.090 10 10 DECE COC(=O)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 830179397 BPVUDHLWYKDUQZ-CYBMUJFWSA-N 314.385 2.314 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NN1C[C@H]2CCC[C@@H](C2)C1 921773404 RLEOUZJHHPHCMX-XVMAMZMSSA-N 302.374 2.264 10 10 DECE CN(C)c1ccc([C@H](N)CN[C@H]2C[C@@H](N)CC(C)(C)C2)cc1 925689797 IPYCATISXGNJDR-HLLBOEOZSA-N 304.482 2.248 10 10 DECE CCO[C@@H](CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228490 BEROTHDNLRBTRJ-CJNGLKHVSA-N 306.406 2.205 10 10 DECE CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ncn2)cc1 864572861 ASUIUSRAZICSFA-UHFFFAOYSA-N 324.306 2.491 10 10 DECE CC[C@@H]1NCC[C@H]1NC(=O)N(CC)Cc1ccc(N(C)C)cc1 861677020 PWTFTYMYVCADPB-DLBZAZTESA-N 318.465 2.425 10 10 DECE CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1 794433738 LLHRFBAQEPHROF-LBPRGKRZSA-N 301.394 2.416 10 10 DECE C[C@@H](NC(=O)c1ccc(Cn2ccnn2)o1)c1ccccc1O 1151892030 FWMRZYAJQVKJLO-LLVKDONJSA-N 312.329 2.116 10 10 DECE Cc1cc(=NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(C)[nH]1 1344464517 ZWKQUDDGXRBSJO-SNVBAGLBSA-N 315.373 2.284 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)[C@@H](O)c1ccccn1 1456308581 JLTYSANYGVVFTP-KRWDZBQOSA-N 308.337 2.290 10 10 DECE Cn1cc(/C=C/C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cn1 1525905127 CAXQXWBOPAIAPZ-KBOKABMXSA-N 322.412 2.445 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CC(C)=NO2)cc1 1530903630 BFYCDQXUBZJFPC-KRWDZBQOSA-N 319.405 2.145 10 10 DECE CN(C)c1ccnc(C(=O)NCc2ccc3cccnc3c2O)c1 1627073863 YEJAHSIBGXEONK-UHFFFAOYSA-N 322.368 2.331 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nc[nH]c2n1 1623574030 JMIAXEGAGUDDIV-UHFFFAOYSA-N 317.345 2.079 10 10 DECE CO[C@H](CCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928468158 SXIKZOJHQWKXBL-ZIAGYGMSSA-N 310.394 2.322 10 10 DECE O=C(/C=C\C1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 1772837241 BOQREOPOGDMBSY-XQRVVYSFSA-N 318.392 2.369 10 10 DECE Nc1cnc(NC(=O)c2ccc(O)c(O)c2)c(Br)c1 236379797 HJEMTMARQKAXBY-UHFFFAOYSA-N 324.134 2.090 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@](C)(c2c(O)cccc2O)C1 1952078998 GSEAZNSCIMORGW-INIZCTEOSA-N 308.378 2.153 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@H](c2cccc([N+](=O)[O-])c2O)C1 1952211501 ONXNAVMKTGODKN-NSHDSACASA-N 323.349 2.182 10 10 DECE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(CCc1ccc(N)cc1)C2 1977924883 HUGSIEIOUZOZKB-KBXCAEBGSA-N 317.433 2.410 10 10 DECE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ccc(N)cc2)C1 1977934640 LHJCSZOREUCLPX-QGZVFWFLSA-N 321.421 2.125 10 10 DECE O=C1Nc2cc(N3C[C@@H]4CCC[C@H]43)c(Br)cc2[C@H]1O 706730235 ZQCWQJLGTYWHEN-HOCOFYGGSA-N 323.190 2.423 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@@H]43)c(Br)cc21 706987639 YXFSWSBRFMEWES-RESLBDFXSA-N 322.206 2.260 10 10 DECE CCN1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1=O 708711615 OVBAUYCLKZVWIU-LLVKDONJSA-N 303.189 2.409 10 10 DECE C[C@@]12CN(c3ccc(CN)c(Br)c3)C[C@@]1(CO)C2 2046780786 SRDHRKCNABSMBD-ZIAGYGMSSA-N 311.223 2.117 10 10 DECE CN(c1ccc(CO)cc1Br)[C@H](CCO)C(F)F 2058237231 NYVFWDMMVAQTBO-LLVKDONJSA-N 324.165 2.394 10 10 DECE N[C@H]1CN(Cc2ccc(Br)cc2O)CC(F)(F)C1 2064314862 YWNCAUULIFHVLU-SNVBAGLBSA-N 321.165 2.323 10 10 DECE C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ccc(CN)c(Br)c1 2218432485 OWQAASKDYAGDJH-UBHSHLNASA-N 311.223 2.257 10 10 DECE NCc1ccc(N2C[C@@H](O)CCC23CC3)cc1Br 2220306047 SGWYOKCDFSIZAH-LBPRGKRZSA-N 311.223 2.402 10 10 DECE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccco1 2294130854 KZTVTIQKNYQIJZ-UHFFFAOYSA-N 300.245 2.085 10 10 DECE COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2)C1=O 2297315861 WGHBNMJUOFSMMR-UHFFFAOYSA-N 322.320 2.362 10 10 DECE Cc1nn(C)c(Cl)c1C=CC(=O)NCc1ccc(O)c(O)c1 2301404201 YDJQXGDZIZATLI-UHFFFAOYSA-N 321.764 2.123 10 10 DECE Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCc2cnccc21 118708154 LMFZTSAOLLHKOW-ONEGZZNKSA-N 302.765 2.379 10 10 DECE C[C@H](NC[C@H]1CC[C@H](O)C1)c1ccc(N2CCC(O)CC2)cc1 189329971 CQLPQPVTJVBSNX-DOXZYTNZSA-N 318.461 2.459 10 10 DECE Nc1ccc(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 36283815 WUTYEFGFBMSBNM-UHFFFAOYSA-N 307.331 2.119 10 10 DECE CN(C)CC1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 181247066 SITCFWPCLQGDLO-UXBLZVDNSA-N 318.417 2.348 10 10 DECE CO[C@@H]1CN(c2ccc(CO)c(Cl)c2)[C@@H](CF)[C@H]1OC 2366526683 BGVBCRJXSTUJMF-BFHYXJOUSA-N 303.761 2.020 10 10 DECE CC1(C)CCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 94321975 NEJNZRPBFYKOJD-AWEZNQCLSA-N 312.435 2.146 10 10 DECE Nc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 237917356 QTVGYEKOYBKLJS-UHFFFAOYSA-N 309.369 2.342 10 10 DECE CC[C@H](NC[C@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 90467667 VIFKNYQCAYQMBL-CVEARBPZSA-N 310.463 2.371 10 10 DECE CCCN(Cc1ccccc1O)C[C@H](O)COC[C@H]1CCCO1 247706212 YXGUTPWVJSWCEU-DLBZAZTESA-N 323.433 2.161 10 10 DECE CN(Cc1ccc2ccccc2c1O)[C@H]1CCN2CCO[C@H]1C2 824501418 KFYPZLLJBFGEFE-ROUUACIJSA-N 312.413 2.450 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@H](OC)[C@@H]1CCOC1 830140612 DQYORBZHDXSRPN-GDBMZVCRSA-N 307.390 2.182 10 10 DECE Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1c(O)cccc1F 914187241 BRMODIUCXSPSPQ-ZDUSSCGKSA-N 318.352 2.142 10 10 DECE CN(C)c1ccc(CNCC(C)(C)[C@@]2(O)CCOC2)cc1F 842759382 VRTJCCNWFFBIRZ-QGZVFWFLSA-N 310.413 2.159 10 10 DECE CCOC(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 928712692 WHFVJKGLPLMQOF-LLVKDONJSA-N 324.352 2.016 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1CSCCS1 921390795 VLCWAUZRKRTXGP-VIFPVBQESA-N 316.423 2.179 10 10 DECE COC[C@@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC 852261299 PCPIIULHPGFXNS-XJKSGUPXSA-N 323.437 2.164 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC2(CCC2)CO1 924115914 OTIGBZXPGTYZLE-DXTPNHAXSA-N 303.358 2.186 10 10 DECE COc1cc(CNC[C@](C)(CO)OC)c(O)c(C(C)(C)C)c1 850338446 HSNBCSYHYHUKRY-QGZVFWFLSA-N 311.422 2.185 10 10 DECE C[C@@H]1CC[C@H](NCc2c(O)cccc2Cl)CS1(=O)=O 850369325 VJGNGQCKCTUFSU-ZJUUUORDSA-N 303.811 2.101 10 10 DECE C[C@H](NCCOC1CCOCC1)c1cc([N+](=O)[O-])ccc1O 927079249 LVRWEZDZJYOQHI-NSHDSACASA-N 310.350 2.147 10 10 DECE Cc1ccc(C(=O)NCC2(C3(O)CCC3)CCC2)c(O)c1O 924945782 KUODZZNZFQXEQC-UHFFFAOYSA-N 305.374 2.221 10 10 DECE COc1cc(N2[C@H]3CC[C@H]2[C@@H](C)[C@@H](O)C3)c([N+](=O)[O-])cc1OC 866104749 DXQLGLXLKMEBEJ-ZHPDPMBESA-N 322.361 2.350 10 10 DECE Cn1nc(NC(=O)NCc2c(O)cccc2F)cc1C1CC1 931483757 GGSNBWIEZAWHIA-UHFFFAOYSA-N 304.325 2.464 10 10 DECE COC[C@@H](C)[C@H](C)C(=O)NCc1ccc2cccnc2c1O 862026391 MYSYVVXWUKHIJC-NEPJUHHUSA-N 302.374 2.475 10 10 DECE Oc1cc2c(cc1CN1CCC[C@]3(CCCOC3)C1)[C@H](O)CO2 768464748 UHRJSDZGHGAOFF-AEFFLSMTSA-N 319.401 2.211 10 10 DECE CCON(CC)C(=O)CNCc1cc(Cl)cc(C)c1O 862451835 HMAUWALOUMLWMC-UHFFFAOYSA-N 300.786 2.244 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1118439027 WSNBSRMVMMAZBP-ZSBIGDGJSA-N 322.311 2.200 10 10 DECE CC1(C)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 897175495 UWQBSCOFGIYEPE-MRVPVSSYSA-N 321.354 2.136 10 10 DECE CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CN)c(Cl)c1 710450047 OMKSJAYFMQRKGP-CYBMUJFWSA-N 316.854 2.202 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 1330536831 PDWULMHNNKLJPL-OALUTQOASA-N 315.461 2.192 10 10 DECE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1345724052 ZOPKWLUWCKGMEL-QDMKHBRRSA-N 316.401 2.046 10 10 DECE 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O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1c(O)cccc1O 1558533488 CRHCXFJTGTVQLN-TWGQIWQCSA-N 314.297 2.336 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]3C)CC2)cc1C 1716675012 VRJLRAOZRCHSHM-DOMZBBRYSA-N 302.418 2.398 10 10 DECE Cn1ncc(C(=O)NCc2c(O)cccc2O)c1-c1ccccc1 1639292785 QQTAIVDDIDGJLD-UHFFFAOYSA-N 323.352 2.428 10 10 DECE COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] 1637052208 HJXPSGUHIRDTKP-UHFFFAOYSA-N 318.285 2.196 10 10 DECE Nc1c(Cl)cc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] 1630363584 VHPZLGMLIMUHAE-UHFFFAOYSA-N 321.720 2.466 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cnc([C@H](C)O)s2)c1 1631542931 NGKUKOQPBMXOIT-BDAKNGLRSA-N 322.386 2.402 10 10 DECE COCC(=O)NC1CCC(NCc2ccc(OC)c(C)c2)CC1 1566979185 DXOSTDDVGHILFA-UHFFFAOYSA-N 320.433 2.167 10 10 DECE CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc(C)c(O)c1O 1644057082 OUTXCACVXKBGPS-ZDUSSCGKSA-N 321.373 2.424 10 10 DECE CCO[C@@H]1C[C@@H](NCCCSc2nccs2)[C@H]1OC 893043932 BGAQUCNYCPKYFW-IJLUTSLNSA-N 302.465 2.407 10 10 DECE 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C[C@]1(CNC(=O)C=Cc2ccc(O)c(O)c2)CCCC[C@@H]1O 2307989768 ISMHUBPQFQLDKP-DOTOQJQBSA-N 305.374 2.168 10 10 DECE Cc1ccc(CN2CC(C(N)=S)C2)c(O)c1Br 2307468664 BJCWAPFZESCSNT-UHFFFAOYSA-N 315.236 2.181 10 10 DECE Cn1cnc(Br)c1C(=O)c1cccc2c1NCC2 2315576824 IUMSDNMDKWQOMD-UHFFFAOYSA-N 306.163 2.382 10 10 DECE C[C@@H](N)c1cnc(S[C@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319439732 USZSEDWNHPDEOX-HRDYMLBCSA-N 306.478 2.221 10 10 DECE CC[C@H](N)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327615537 MLNJPKWGZFKULW-JTQLQIEISA-N 315.211 2.159 10 10 DECE Cc1ccc(CNC(=O)c2cocn2)c(O)c1Br 2327796322 FPQCVFITDNITTE-UHFFFAOYSA-N 311.135 2.381 10 10 DECE COc1cc(Br)cc(CNCC[C@@H](C)O)c1O 304109910 FKAMRCKIRAWOLF-MRVPVSSYSA-N 304.184 2.024 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 127934984 ALHVIRHFQDABNB-GJZGRUSLSA-N 315.417 2.382 10 10 DECE N[C@H](C(=O)O)c1cc(Br)c(Br)cc1O 72197171 BVZZPNSJPBCUTM-ZETCQYMHSA-N 324.956 2.002 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 44674926 RGJLGLIOBXOIEU-JKSUJKDBSA-N 302.399 2.244 10 10 DECE CC1(C)[C@H]2C(=O)N(c3ccc(N)cc3Br)C(=O)[C@H]21 88827287 SBNZHRYNLRSBHA-AOOOYVTPSA-N 309.163 2.177 10 10 DECE COc1cc(O)c(CN2C[C@@H]3CCCN3C[C@@H]2C)cc1OC 245514275 FRJDKKNFLPAZAQ-JSGCOSHPSA-N 306.406 2.078 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1O 249639012 XKJCSQSDAPOTIH-LZMUYIQZSA-N 309.793 2.255 10 10 DECE COc1cccc(CNC(=O)[C@H]2C[C@@]2(C)Br)c1O 528860785 LXJOIIQUHOIEGV-NOZJJQNGSA-N 314.179 2.191 10 10 DECE CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)CO)cc1F 283651795 JVEOELYGTOFXHQ-LBPRGKRZSA-N 311.401 2.194 10 10 DECE CCCCOc1cc(OC)ccc1C(=O)OCC(=O)C(C)=O 808537378 NIHFJMIPEQDAOV-UHFFFAOYSA-N 308.330 2.189 10 10 DECE O=C(NCc1cc(Br)ccc1O)C1=CCCCO1 804737028 ARSLPFMIRQMUDR-UHFFFAOYSA-N 312.163 2.465 10 10 DECE O=S(=O)(C[C@@H]1C[C@H]1C(F)(F)F)Nc1ccc(O)c(F)c1 2164633624 KZDBACMNQKBJMQ-POYBYMJQSA-N 313.272 2.471 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(O)n2)c1 815835467 UTSDFRNBNFHANG-SNVBAGLBSA-N 302.330 2.301 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(O)cc1O 721894678 AZNDHQHEMQLHMK-FZMZJTMJSA-N 322.405 2.443 10 10 DECE CC1(O)CC(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 822819689 YEIMBEVJXPEADZ-UHFFFAOYSA-N 302.418 2.454 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1cnc[nH]1 821070984 RSJTYLRVRMZCIG-ZIAGYGMSSA-N 311.385 2.414 10 10 DECE COCC(C)(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 839459070 FQZGPBCOGWGPNP-UHFFFAOYSA-N 320.433 2.407 10 10 DECE C[C@@H](Nc1nccc(S(C)(=O)=O)n1)c1ccc(N(C)C)cc1 912055045 BLJJZNHYTVYTRU-LLVKDONJSA-N 320.418 2.119 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)[C@@H]3CCCCN3)C2)cc1 854217679 OPLGFWJTGFLPQW-MPGHIAIKSA-N 303.450 2.394 10 10 DECE C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2c(O)cccc2F)C1 928706159 OKRLJQZEXGDILN-KOLCDFICSA-N 303.337 2.237 10 10 DECE O[C@H](CNCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 858226773 PPCKKMSSSBIKCH-QZTJIDSGSA-N 304.434 2.306 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCC2(CCO)CCC2)c1 756765769 QYUAXNBTHVZGCI-LBPRGKRZSA-N 307.390 2.382 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@H](C(N)=O)C1 862818611 BXMOMRNBHHQKTL-HAQNSBGRSA-N 317.414 2.149 10 10 DECE CSC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 865988407 AQSCJYQGXYSCDK-UHFFFAOYSA-N 323.374 2.258 10 10 DECE CCOC(=O)c1n[nH]c([C@H](C)NCc2ccc(OC)c(C)c2)n1 895237092 UDYSMHCDYZQLOR-NSHDSACASA-N 318.377 2.149 10 10 DECE O=S(=O)(Nc1ccc(O)c(F)c1)c1cnc(Cl)s1 85201103 GGTWCFNUDXCZNK-UHFFFAOYSA-N 308.743 2.442 10 10 DECE Cc1ccc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)c(O)c1O 1139466875 NJMCYBQEHTUOKU-UHFFFAOYSA-N 324.336 2.178 10 10 DECE COc1ccc(CNC(=O)c2cccc(OC)c2F)c(O)c1 794379833 TYFSMEJUZLGFBO-UHFFFAOYSA-N 305.305 2.479 10 10 DECE COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(O)cs3)cc12 1141452709 XONYLHADFWUARU-UHFFFAOYSA-N 317.326 2.369 10 10 DECE CC(C)(C)OC(=O)N[C@]1(CNCc2ccccc2O)CCOC1 688971559 LUYKUQRLHZNMSH-KRWDZBQOSA-N 322.405 2.166 10 10 DECE NC(=O)[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2117457813 CKXPSYWRDZJLTN-MWLCHTKSSA-N 303.189 2.443 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 1466188944 HYVLAYGCYDDVPL-NSHDSACASA-N 304.350 2.084 10 10 DECE C[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1O 1471199115 RJWYMVCOQKUPGK-XHDPSFHLSA-N 310.353 2.444 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCn3nccc32)cc1 1558070413 VIHMUNWHYTTXHT-GFCCVEGCSA-N 312.333 2.310 10 10 DECE CP(C)(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 1635959885 PRSJYZHCBXGMJP-UHFFFAOYSA-N 319.297 2.276 10 10 DECE CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1583350016 XRNXSVKPCFQMAV-CYBMUJFWSA-N 305.382 2.165 10 10 DECE Cc1cc2nccc(NC(=O)/C=C/c3ccc(O)c(O)c3)n2n1 1585715724 AYUNCUCPAJBHEA-HWKANZROSA-N 310.313 2.101 10 10 DECE COC(=O)CCCN1C(=O)/C(=C\c2cccnc2)SC1=S 12549651 JDKMXFGZVACNQI-DHZHZOJOSA-N 322.411 2.236 10 10 DECE NC(=O)C1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)CC1 164347259 YVINEBWPRIDETE-DUXPYHPUSA-N 308.765 2.140 10 10 DECE COc1ccc(CNC2(C(=O)NCC3CC3)CCCC2)c(O)c1 154561356 JEZCQEYMHXLOPR-UHFFFAOYSA-N 318.417 2.329 10 10 DECE Cc1ccc(O)c2[nH]c(C(=O)Nc3ccc(N)cc3)cc(=O)c12 1866554456 MSFLPFQNIZTZTO-UHFFFAOYSA-N 309.325 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CNCc1ccc(N2CC[S@@](=O)C(C)(C)C2)cc1Cl 2114530857 OUQOFBKKDSEUNU-LJQANCHMSA-N 300.855 2.407 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)ccc1F 2234176580 LVZAKYZBERLSSE-VHSXEESVSA-N 302.306 2.475 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CNC3(CCCC3)C2)s1 2284499529 PJRFFGDWJGSZCH-JTQLQIEISA-N 311.476 2.404 10 10 DECE Cc1ccc(CN2CC([C@H](C)O)C2)c(O)c1Br 2307476892 GNODVVRCQRFUNC-VIFPVBQESA-N 300.196 2.276 10 10 DECE Cc1ccc(CN(C)[C@@H](C)C(=O)O)c(O)c1Br 2307478936 CTZUNEXSCHLDKM-QMMMGPOBSA-N 302.168 2.368 10 10 DECE Oc1cccc(Br)c1CN1CCN[C@H]2CCC[C@@H]21 2319302342 SNHMKDNGNFMJAW-STQMWFEESA-N 311.223 2.481 10 10 DECE CN(Cc1cccc(Cl)c1O)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361665044 OXGQERRVRWAFAD-VXGBXAGGSA-N 317.838 2.443 10 10 DECE CN1CCc2cc(CN[C@@H]3CCCN(c4cccnn4)C3)ccc21 122299999 MBNOPHWIGFEZMX-QGZVFWFLSA-N 323.444 2.228 10 10 DECE Cc1nnc(SC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)o1 75332515 IXPZPENVOADQGZ-ZIAGYGMSSA-N 320.418 2.223 10 10 DECE Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(O)c1O 182809363 VPTQICFSPWFBFW-ZDUSSCGKSA-N 314.341 2.095 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@@H](N)Cc2ccc(O)c(O)c2)C1 1953062407 GRPJETDNAXQGTK-AVGNSLFASA-N 322.405 2.271 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1c1c(N)cccc1O 1953066038 GSPFIMIJVIYHPI-RISCZKNCSA-N 307.394 2.244 10 10 DECE COc1cc2c(cc1OC)C(=O)N[C@@H](c1cc(F)ccc1O)N2 195036828 HMZPXIPVQDAIJV-HNNXBMFYSA-N 318.304 2.403 10 10 DECE CCCN(c1ccc(N)cc1)S(=O)(=O)c1cn(CC)cn1 92889948 AXZNSKSNSMODLP-UHFFFAOYSA-N 308.407 2.091 10 10 DECE Cc1cc(O)c(CNCC(=O)NCc2ccco2)cc1Cl 825096233 DBPFLPOJCNXEAX-UHFFFAOYSA-N 308.765 2.353 10 10 DECE CN(C)c1ccc(CN[C@@H](C[C@H]2CCCOC2)C(=O)O)cc1F 901927456 LNXAYFSWMRTANK-HIFRSBDPSA-N 324.396 2.251 10 10 DECE CCOCCOCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 839917155 APFIXINQRGAFLY-OAHLLOKOSA-N 322.449 2.161 10 10 DECE Cc1cc(CC(=O)NCc2ncn(C)n2)c(C)n1-c1ccccc1 831552806 WZLLYXGMTWPDNN-UHFFFAOYSA-N 323.400 2.082 10 10 DECE CC(C)n1ncc(C(=O)NCc2ccc(O)cc2O)c1Cl 910955869 HVSRUFVCOYQANM-UHFFFAOYSA-N 309.753 2.459 10 10 DECE C[C@@H](NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1c(O)cccc1F 927040227 ZLWKZWXTYQQRDT-WAAKLRNESA-N 313.394 2.290 10 10 DECE CCN(CC)c1ccc(CN2CCn3nncc3C2)cc1F 848922480 UDPGUTAKDFGSCN-UHFFFAOYSA-N 303.385 2.279 10 10 DECE C[C@@]1([C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)COC(=O)N1 926143783 OXPCJIDGHRNPLP-BZNIZROVSA-N 318.377 2.011 10 10 DECE COc1cc(CNCC[C@@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 850338009 CQNOLYXOHOSCJM-GOSISDBHSA-N 323.433 2.329 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cn(C)nc3Cl)C2)cc1 856795089 ZDRAXJCFNIYWDK-CYBMUJFWSA-N 320.824 2.451 10 10 DECE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)[C@H]21 869824852 BCFCHIUVRFIXHG-METHFUCDSA-N 317.385 2.119 10 10 DECE O=C1OC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]12 862545474 UMNPAENCSDSZAM-PSASIEDQSA-N 302.157 2.304 10 10 DECE CN(C)C(=O)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775647620 ZJIVAHSECAQPAC-UHFFFAOYSA-N 314.788 2.485 10 10 DECE Cc1cc(CCNC(=O)c2cnn(C)n2)c(C)n1-c1ccccc1 785754008 MNNYZMBFAYVJQZ-UHFFFAOYSA-N 323.400 2.195 10 10 DECE COc1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1F 788069068 VGVBGWDSLWORRH-UHFFFAOYSA-N 315.297 2.480 10 10 DECE CC[C@H](NCc1c(O)cccc1Br)C(=O)OC 706868366 KJZQFJHPTYZAKR-JTQLQIEISA-N 302.168 2.196 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H](CCCO)c1ccccc1 1352669813 LKNHFLWHMPTSRL-OAHLLOKOSA-N 315.369 2.270 10 10 DECE C[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1O 1454812907 DHKQGVQYRPHQKY-LBPRGKRZSA-N 308.341 2.464 10 10 DECE Cc1ccc(OC(=O)CCN2C(=O)CSC2=S)cc1C 1865774530 NGXDRFSQLQUKKC-UHFFFAOYSA-N 309.412 2.459 10 10 DECE COc1ccc(CN[C@H](C)CCNC(=O)[C@H]2CCOC2)cc1C 1480751367 CREKQYGLTTUZJZ-ZBFHGGJFSA-N 320.433 2.025 10 10 DECE CN(C)Cc1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 1638618292 KTQSGEQYHDGRLV-XQRVVYSFSA-N 319.386 2.268 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCn2nccc21 1634998147 LDENIRRHZWXFGN-UHFFFAOYSA-N 301.327 2.169 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1cnc2nccn2c1 1648608482 GUMHSLBCMADSBL-UHFFFAOYSA-N 302.721 2.018 10 10 DECE COC(=O)CN(CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 1641390659 MCUUSMTXHIYDIX-UHFFFAOYSA-N 320.349 2.120 10 10 DECE CCC(C)(C)CNS(=O)(=O)CCOc1ccc(N)cc1 232924385 WDVCHXOGGXJRRN-UHFFFAOYSA-N 300.424 2.003 10 10 DECE Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H](C)SC2=S)c1 11635420 QVDCHBDLCAGBRD-JTQLQIEISA-N 308.428 2.491 10 10 DECE O=C(O)[C@H]1CC=CCN1Cc1ccc(Br)cc1O 1970664471 JKXISQSUNKRDDL-LLVKDONJSA-N 312.163 2.370 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(N)ccc2O)C1 1977893349 KMKMIIAVBIREBX-AWEZNQCLSA-N 321.421 2.464 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985093651 COAKYXDWHGCWGJ-UTUOFQBUSA-N 323.397 2.449 10 10 DECE C[C@H](NC(=O)[C@H](N)COCc1ccccc1)c1ccccc1O 1989693642 AYWSZGSMHJJHOE-XJKSGUPXSA-N 314.385 2.114 10 10 DECE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl 85205140 KFMVAACRCWHOQP-UHFFFAOYSA-N 301.755 2.186 10 10 DECE CCNC(=O)CN(C)c1ccc([C@@H](C)N)cc1Br 723163294 GRBNZCGMUASQSK-SECBINFHSA-N 314.227 2.041 10 10 DECE CN(C)C(=O)c1ccnn1Cc1cc(Br)ccc1O 2069901629 DPEGYUHPVPASKT-UHFFFAOYSA-N 324.178 2.101 10 10 DECE O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2O)nc1O 2070592823 WVQXGFQOUPBBIB-UHFFFAOYSA-N 302.208 2.060 10 10 DECE CCN(c1ccc(CNC)cc1Cl)[C@@H](C)CS(C)(=O)=O 2170423204 YCYXKUNMRZRFSD-NSHDSACASA-N 318.870 2.319 10 10 DECE CCCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)cc1F 2170467166 MZJLPWZEYFNAFR-NSHDSACASA-N 303.399 2.140 10 10 DECE NC[C@]12CC[C@H]1CN(Cc1c(O)cccc1Br)C2 2081580939 OYNWFHYKEZFHFX-HZMBPMFUSA-N 311.223 2.325 10 10 DECE CCCN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1O 2113785315 CBMJDAOTUPDHAG-UHFFFAOYSA-N 305.827 2.302 10 10 DECE CCc1nn[nH]c1CNCc1c(O)cccc1Br 2261471305 LGMOHLOQTWXXDG-UHFFFAOYSA-N 311.183 2.125 10 10 DECE CSc1ncc(CNc2cc(N)nc3cc(C)nn23)s1 2284537235 MOCUVADDQJBSGN-UHFFFAOYSA-N 306.420 2.410 10 10 DECE C[C@H](Oc1cccc(C=C2SC(=S)N(C)C2=O)c1)C(=O)O 2294871997 KUHFKDORVOXJKY-QMMMGPOBSA-N 323.395 2.370 10 10 DECE O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2n[nH]cc21 493395858 XTGRUAJOJWNJDU-FPLPWBNLSA-N 305.341 2.346 10 10 DECE COCCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2323767344 IUNAYKZMLPRRPI-UHFFFAOYSA-N 324.383 2.442 10 10 DECE Cc1ccc(CN[C@H]2CN3CC[C@H]2C3)c(O)c1Br 2327630077 HRMNIFRDZWMDPJ-RYUDHWBXSA-N 311.223 2.257 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1 114589135 CGTXLWQMJUUWHA-AWEZNQCLSA-N 323.437 2.176 10 10 DECE C[C@@H](NCCNC(=O)c1ccccc1O)c1ccccc1O 183480927 SUIDWAUOYVEDAD-GFCCVEGCSA-N 300.358 2.178 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]1c1ccc(O)cc1O 1952796568 WEUNCVBYCFPBGU-DGCLKSJQSA-N 323.345 2.481 10 10 DECE COc1ccc(N2CCN(C)CC2)cc1NC(=O)C(C)(C)C 74586790 VDAFZZXKCFDVMP-UHFFFAOYSA-N 305.422 2.432 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]1c1cccc(N)c1O 1953041374 MWCYWHAOVJGENL-CHWSQXEVSA-N 307.394 2.244 10 10 DECE C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(-n2cncn2)cc1 237660166 HDBXCQOIPWXBHM-ZDUSSCGKSA-N 321.384 2.269 10 10 DECE C[C@]1(O)CCN(c2ccc(CN)c(Br)c2F)C1 231840963 GSPZOJTWRNCLFY-LBPRGKRZSA-N 303.175 2.008 10 10 DECE CN(C)c1ccc(Cn2nccc2NC(=O)[C@@H]2CCCO2)cc1 98080345 LKXNWQHQRXBNPE-HNNXBMFYSA-N 314.389 2.115 10 10 DECE Cc1cccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O 282980927 JIIYOTOFKQGYHD-RDJZCZTQSA-N 305.418 2.358 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc2ccccc2c1 808546756 ZPIRYSGWJKKXAS-LBPRGKRZSA-N 300.310 2.308 10 10 DECE CCO[C@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O 804733302 NWSHXIUFPBLRJZ-PWSUYJOCSA-N 314.179 2.196 10 10 DECE COC(=O)c1conc1C(C)(C)NCc1cc(F)ccc1O 822534866 ZJEHHUPKBKHFEL-UHFFFAOYSA-N 308.309 2.331 10 10 DECE C[C@H](CCS(C)(=O)=O)NC/C=C\c1ccc(N(C)C)cc1 835042901 LQQHVVVKTMFTLS-GEXIGZQTSA-N 310.463 2.179 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1[C@@H](N)c1ccccc1O 1895405713 IWHMIYTWVYAOJS-GUTXKFCHSA-N 322.405 2.322 10 10 DECE Cc1cc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1N(C)C 830823588 QGSBSXZNKDXNOH-SCTDSRPQSA-N 318.461 2.423 10 10 DECE CC(C)C[C@H](C(=O)NCc1ccc(O)cc1O)n1ccnc1 910942547 FEPRMBORZMMZGP-CQSZACIVSA-N 303.362 2.198 10 10 DECE COc1cc(N(C)Cc2cnc(C)nc2)cc(OC)c1OC 741798797 NBAAKKJTCIZMBL-UHFFFAOYSA-N 303.362 2.447 10 10 DECE COC(=O)COc1ccc(N(C)CCO[C@H]2CC2(F)F)cc1 851924528 OVYFIGDSZXCAMV-ZDUSSCGKSA-N 315.316 2.099 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@@H](O)C23CCC3)c1O 850388060 GMPGTHSLBZVFNY-NWDGAFQWSA-N 312.753 2.347 10 10 DECE COCc1cncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 765590007 OILWIZMBIGATIH-LLVKDONJSA-N 316.357 2.433 10 10 DECE COC(=O)C1=CC[C@@H](NCc2cc(Cl)cc(OC)c2O)C1 862467262 UNDAQQWAHBIQTR-GFCCVEGCSA-N 311.765 2.406 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1ccc([N+](=O)[O-])cn1 1117547608 LEZYNDNBAFDHEN-UHFFFAOYSA-N 319.664 2.432 10 10 DECE C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 773370050 YKLGIVHVPDVXMN-HIFRSBDPSA-N 304.438 2.207 10 10 DECE COc1cccc(O)c1CN1CCC(Oc2cnccn2)CC1 787295140 WYHDGEZRBWGSPP-UHFFFAOYSA-N 315.373 2.234 10 10 DECE CCOC(=O)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 896982799 HVSDFKXKQRNHND-MRVPVSSYSA-N 323.370 2.384 10 10 DECE Cc1cc(Br)c(O)c(CN2CCC[C@H](O)C2)c1 781895139 NZKNMRMJGGBIJG-NSHDSACASA-N 300.196 2.420 10 10 DECE COC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 1156881010 LPJOKIJADYINEC-UHFFFAOYSA-N 316.313 2.206 10 10 DECE O=C1CC[C@H](C(=O)NCc2cc(O)ccc2O)c2ccccc21 1176754437 CTPQQXNDQAYKNQ-HNNXBMFYSA-N 311.337 2.474 10 10 DECE CO[C@@]1(CO)CCCN(Cc2ccc(N3CCCC3)cc2)C1 1333865254 SNWBPXPLLVCHCV-SFHVURJKSA-N 304.434 2.260 10 10 DECE COc1ccc(CNC(=O)c2ccc3cccnc3n2)c(O)c1 1448373337 LNVUVHWYFZAHKV-UHFFFAOYSA-N 309.325 2.274 10 10 DECE CC(C)C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1467354783 DACQGFDNQHWULE-CJNGLKHVSA-N 307.390 2.350 10 10 DECE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cccc(O)c1O 1471643505 IDDCCAFCSYHJPI-SECBINFHSA-N 323.295 2.460 10 10 DECE O=C(NCc1ccccc1O)[C@@H]1COc2cc(F)ccc2C1 1631539675 BFGKRLSUVGHQAB-ZDUSSCGKSA-N 301.317 2.399 10 10 DECE C[C@@H](NC(=O)NCc1cnc(Cl)cn1)c1ccccc1O 1565249123 QGOUSTLFVBZSFW-SECBINFHSA-N 306.753 2.396 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCC2(CO)CCCC2)cc1 1645445839 ARQWOGLJWMJLCM-UHFFFAOYSA-N 304.350 2.132 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(Br)co1 1570462193 IIUADHCSGVBUPA-UHFFFAOYSA-N 312.119 2.383 10 10 DECE O=C(NCc1c(O)cccc1O)[C@@H](O)c1ccc(Cl)cc1 1647290758 REJFKMFSQJYSNH-AWEZNQCLSA-N 307.733 2.101 10 10 DECE CN[C@@H](c1ccccc1O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 1938136522 GGIRCZRVRYDZAV-IPYPFGDCSA-N 322.405 2.192 10 10 DECE COC[C@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 1875843010 JFNZQKVJUGZMTC-KCJUWKMLSA-N 316.195 2.288 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@H]1CC[C@@H](O)C1 1963624705 OTZOUXPYHSZPQL-VHSXEESVSA-N 304.159 2.297 10 10 DECE CN(CC(=O)NCC(F)(F)F)Cc1cccc(Cl)c1O 1972605584 YRLZETJHTKVRIK-UHFFFAOYSA-N 310.703 2.156 10 10 DECE CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc(N)cc2)CC1 1977949402 DZMWJSUOWNYYQN-UHFFFAOYSA-N 321.421 2.125 10 10 DECE C[C@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 2148780600 YXOZHJNOMFIBGT-WDEREUQCSA-N 316.854 2.231 10 10 DECE C[S@](=O)CCCCNCc1cc(Br)ccc1O 2001785345 XBDZBPZDXKWWBQ-KRWDZBQOSA-N 320.252 2.403 10 10 DECE CN(C[C@H]1CC1(F)F)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2153621960 VFZTXJPMKJQRJD-KSBSHMNSSA-N 302.708 2.417 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1CCc2nccn2C1 362897808 VQKLIAOOPUNJPZ-GFCCVEGCSA-N 322.206 2.456 10 10 DECE COc1ccc(O)c(CNC(=O)C2C[C@H]3CC(O)C[C@H](C2)C3)c1 2062163184 GLRYPCBJQXPLMV-YKQCJFHZSA-N 319.401 2.204 10 10 DECE CCN(Cc1occc1C)C(=O)c1cnn2c(O)cc(C)nc12 2064822845 ULSACEVQJSTTID-UHFFFAOYSA-N 314.345 2.307 10 10 DECE CCc1cc(C(=O)NC2CC2)n(Cc2cccc(OC)c2O)n1 2070097966 SVVPSBMBAIGBNF-UHFFFAOYSA-N 315.373 2.100 10 10 DECE CC[C@@H]1[C@@H](Sc2nccs2)CC[C@]1(NC1CC1)C(N)=O 2179105048 MPMGCKIWUXHBJL-UHIISALHSA-N 311.476 2.400 10 10 DECE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(CN)cc1Br 2054268436 VJDLKDRKIOLGMZ-CNDDSTCGSA-N 311.223 2.236 10 10 DECE [N-]=[N+]=N[C@H]1CCN(C(=O)CCNC(=O)OCc2ccccc2)C1 2209252832 IZAYBCTXDIVPKG-ZDUSSCGKSA-N 317.349 2.214 10 10 DECE CN(CCN=[N+]=[N-])C(=O)c1cc(Br)c(O)cc1O 2256008923 KIVUNKASAITRFM-UHFFFAOYSA-N 315.127 2.243 10 10 DECE O=C(O)[C@@H]1C[C@]12C[C@@H]2NCc1ccc(Br)cc1O 2256204123 MNLGRUKYBCRDGW-GAFUQQFSSA-N 312.163 2.108 10 10 DECE CN[C@@H](C)c1ccc(N(CCOC)C[C@@H](C)O)cc1Cl 2288059073 KOEIXNQVHUPUAN-NEPJUHHUSA-N 300.830 2.454 10 10 DECE Cc1ccc(CN[C@@H]2C[C@@H]2[C@@H](C)O)c(O)c1Br 2307565928 CIQFVPUXBRVFDP-FBIMIBRVSA-N 300.196 2.322 10 10 DECE C[C@H](Nc1nn(C)nc1Br)c1c(O)cccc1O 2320066323 BTLXXBAWDUDDCA-LURJTMIESA-N 313.155 2.162 10 10 DECE COC(=O)C1CCN(N=Nc2ccc(CC(=O)O)cc2)CC1 2330156087 SBQKTQRMXPVAQM-UHFFFAOYSA-N 305.334 2.197 10 10 DECE CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1O 109770955 MNLLIJILMPSPAF-UHFFFAOYSA-N 314.341 2.191 10 10 DECE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1 1952709898 JCZZBXGKKZOHAJ-VXGBXAGGSA-N 310.394 2.271 10 10 DECE NC1CCN([C@@H]2CCN(Cc3c(O)cccc3Cl)C2)CC1 128353016 ZVEAKHNNNQGECK-CYBMUJFWSA-N 309.841 2.043 10 10 DECE CN1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1c1cc(N)ccc1O 1953008964 ICHCYRNBAVPEHW-DGCLKSJQSA-N 307.394 2.244 10 10 DECE COc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c(O)c1 190161628 BALBXXBSQQKRSU-UONOGXRCSA-N 319.361 2.054 10 10 DECE Nc1ccc(CCNS(=O)(=O)c2cccc(F)c2F)cc1 193337610 BMKRXNGVLUEIDQ-UHFFFAOYSA-N 312.341 2.068 10 10 DECE C[C@]1(O)CCCN(c2ccc(CN)c(Br)c2F)C1 231840765 DTADTTLCNCGPSN-ZDUSSCGKSA-N 317.202 2.398 10 10 DECE CCOC(=O)C[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 255187265 CJSZRKWXHYLCGX-NSHDSACASA-N 309.412 2.369 10 10 DECE Cc1ccc(C(=O)NCC2(CO)CC3(CCC3)C2)c(O)c1O 279048188 DFFUTULDCKNMJV-UHFFFAOYSA-N 305.374 2.079 10 10 DECE CCN(CC)c1ccc(CNC(=O)C2(C(=O)N(C)C)CC2)cc1 806509948 ITHWQDZEFJQDIY-UHFFFAOYSA-N 317.433 2.017 10 10 DECE COC(=O)c1cnc(SC[C@H](O)CC(F)(F)F)s1 295965336 JJYTXCPLENMQJU-RXMQYKEDSA-N 301.311 2.335 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(O)c(O)c1 821070553 GIBYVIVAEKVCLI-VXGBXAGGSA-N 321.373 2.082 10 10 DECE CCCN(CCC)c1ccc(CN2CC[C@](O)(C(=O)O)C2)cc1 901902772 QAHJPRZFAQIJFO-GOSISDBHSA-N 320.433 2.334 10 10 DECE CC1(C)C[C@H](O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 828630048 MNKPDZKOUBAGDF-CYBMUJFWSA-N 318.377 2.472 10 10 DECE C[C@]1(F)CNCCN(Cc2cc(Br)ccc2O)C1 843124703 FPNKMIULJDFPNA-ZDUSSCGKSA-N 317.202 2.288 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CCC(CN)CC2)cc1 841718803 BREPTVJUFKBLSD-UHFFFAOYSA-N 318.465 2.413 10 10 DECE CC1(C)C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1 841855274 JQQYZAXJCQDGTB-CQSZACIVSA-N 308.397 2.319 10 10 DECE NCC12CCC(CC1)CN2Cc1ccc(N2CCOCC2)cc1 923392649 KPGVDBRCWRVXLI-UHFFFAOYSA-N 315.461 2.227 10 10 DECE Cc1cc(O)c(CN[C@@H]2CCc3nnn(C)c3C2)c(Cl)c1 922991869 SGQYPHYISRZWLG-SNVBAGLBSA-N 306.797 2.130 10 10 DECE COc1cc(C)cc(CN2CCOC[C@H]2C(F)(F)F)c1O 754739790 BCYMESBOGXVYAR-LBPRGKRZSA-N 305.296 2.472 10 10 DECE COc1ccc(N2CC[C@@H](CN[C@@H]3CCNC34CCC4)C2)cc1 925709382 VFEWUGOLKMJKLH-MAUKXSAKSA-N 315.461 2.396 10 10 DECE CC[C@@H](COCC1CC1)NC(=O)NCCc1ccc(N)cc1 851662713 HERRAGMABNKAKD-INIZCTEOSA-N 305.422 2.316 10 10 DECE CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(N(C)C)cc2)C1 850354079 UYJUPZYXBXUAIP-KBAYOESNSA-N 306.450 2.408 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 865693946 OULPNDSSIGMLPT-WAARBJQMSA-N 314.429 2.036 10 10 DECE CCc1[nH]nc(Cl)c1C(=O)NCCc1ccc(O)c(O)c1 860234890 MGWWYNLSZALUHY-UHFFFAOYSA-N 309.753 2.009 10 10 DECE Cc1cccnc1NC(=O)CN1CCCc2cc(CN)ccc21 866659613 PHFMZKOIGBESCE-UHFFFAOYSA-N 310.401 2.240 10 10 DECE Cc1cccc(N)c1N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 1959365649 HSRSCVNRVNGASH-STQMWFEESA-N 307.394 2.281 10 10 DECE COCCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCOC1 787335927 VQQQTLFYWNDARZ-ZDUSSCGKSA-N 315.797 2.292 10 10 DECE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(NCCN=[N+]=[N-])C(=O)O 390781364 RAHGDUIBCSPORD-WFASDCNBSA-N 303.366 2.004 10 10 DECE C[C@H]1CN([C@H](C)c2cc(Cl)ccc2O)CCS1(=O)=O 707591359 MBGFBPAUVYVGOP-VHSXEESVSA-N 303.811 2.226 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2SC)c1 790787289 AASPOAAHYUVIDJ-VIFPVBQESA-N 321.402 2.347 10 10 DECE Cc1cc(C(=O)N[C@@]23CCCN(CC2)C3)c(C)n1-c1ccccn1 1302797343 YFGYBJGTJZHESR-IBGZPJMESA-N 324.428 2.457 10 10 DECE CCN(CCCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1317492276 KEGNHEBVMGNKCH-UHFFFAOYSA-N 323.372 2.260 10 10 DECE O=C(CCOc1ccccc1F)NCc1cccc(O)c1O 1176564695 CZISWEYSVWOHSR-UHFFFAOYSA-N 305.305 2.322 10 10 DECE CN(CC1(O)CCC1)c1ccc(CO)c(Br)c1 1914598467 IFSCZDFWPCRWKO-UHFFFAOYSA-N 300.196 2.293 10 10 DECE CCC(CC)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1351822949 PSCKWMWVXZRDCW-UHFFFAOYSA-N 316.401 2.414 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)COC 1513799355 WHYMRMHQRJFSHO-ZDUSSCGKSA-N 318.421 2.465 10 10 DECE C[C@H](COc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1442731285 RIANPUFMUNBGGQ-GFCCVEGCSA-N 301.342 2.224 10 10 DECE C[C@H](C[C@H]1CCOC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1465991140 ARBFWLFPDPZGCS-GHMZBOCLSA-N 304.350 2.394 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2cc(C)no2)cc1C 1481205915 JYUPJKRJGSJQIE-UHFFFAOYSA-N 317.389 2.162 10 10 DECE O=C(C[C@H]1OC(=O)c2ccccc21)NCc1c(O)cccc1O 1558534374 MZVXQJCFXNLPJW-OAHLLOKOSA-N 313.309 2.016 10 10 DECE Nc1ccc(NC(=O)N[C@H]2CCCC3(CC2)OCCO3)cc1 1876164698 XJBWCDVNGSYOKA-ZDUSSCGKSA-N 305.378 2.466 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(O)c(O)c2)CC1 1952071975 DJVBVXACWBJKKJ-ZDUSSCGKSA-N 322.405 2.239 10 10 DECE C[C@@H]1C[S@@](=O)CCN1Cc1ccc(Br)cc1O 1970348349 WZJRTXOHNRCLIS-XLFHBGCDSA-N 318.236 2.108 10 10 DECE COc1cccc(O)c1CNC1(C)CN(C(=O)OC(C)(C)C)C1 1976858593 PFWZKIHPIZRZKF-UHFFFAOYSA-N 322.405 2.500 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(=O)NCCCN=[N+]=[N-])C[C@H]2C1 1985102484 HUCBICJTTATOFP-SRVKXCTJSA-N 323.397 2.306 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1CC2(CCN2)C1 1995905685 SDJRFGTWIKRWPX-UHFFFAOYSA-N 317.614 2.356 10 10 DECE CNCc1ccc(N2C[C@@H](CO)C[C@H]2C)cc1Br 2038885544 NSHYBSNTYDAIRA-MNOVXSKESA-N 313.239 2.376 10 10 DECE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1CO 709378164 XHIUIPFNBWZAHS-SCZZXKLOSA-N 317.202 2.112 10 10 DECE CN(C)C1CN(c2ccc(CNC3CC3)cc2Br)C1 382125759 CKTPDFGEQDKQCX-UHFFFAOYSA-N 324.266 2.451 10 10 DECE CCCN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H]1CC1(F)F 2168848291 ZUGJQRSIVPHGCR-GFCCVEGCSA-N 304.362 2.218 10 10 DECE C[C@]12CN(c3ccc(CO)cc3Br)C[C@]1(CO)C2 2046804263 YAQPQIBBZULWBU-KBPBESRZSA-N 312.207 2.150 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 2185660477 NIHZEMLVDDYASV-SNVBAGLBSA-N 302.306 2.428 10 10 DECE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)cc1Br 2052013999 KOOHVAOJFWPTQI-XHEDZOQISA-N 312.207 2.462 10 10 DECE CCCS(=O)(=O)C[C@@H](C)NCc1cccc(Cl)c1O 2114180503 PNQCGLMKLFMTHG-SNVBAGLBSA-N 305.827 2.349 10 10 DECE O=C1Nc2cc(N3CC(SC(F)(F)F)C3)ccc2[C@H]1O 2237477869 KLMUPSLIKCPOBZ-SNVBAGLBSA-N 304.293 2.114 10 10 DECE COC(=O)[C@H]1CC[C@]1(C)C(=O)NCc1cnc(SC)s1 2284503261 AUOKURMOISNMPD-RNCFNFMXSA-N 314.432 2.071 10 10 DECE OCc1ccc(N2CCOC[C@H](F)C2)c(Br)c1 2299880186 GXZNIRLRRDNFPB-SNVBAGLBSA-N 304.159 2.116 10 10 DECE CCN(CCN=[N+]=[N-])Cc1nn(CC)nc1Br 2306945752 SSRIUXXIBGBRLV-UHFFFAOYSA-N 302.180 2.193 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)cc1Br 2309946419 HLVIVRIPEUJQOW-AWRWRYAPSA-N 312.207 2.462 10 10 DECE C[C@H](N)Cc1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2342080953 CQZIKNNLVKWPQI-NGZCFLSTSA-N 320.505 2.091 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1 114589137 CGTXLWQMJUUWHA-CQSZACIVSA-N 323.437 2.176 10 10 DECE CC[C@H]1CN(c2ccc(CN)c(Br)c2)CCN1C 228152729 SMNVGEQMSLLWOO-LBPRGKRZSA-N 312.255 2.438 10 10 DECE CCOCc1cc(CN2CCOCC2)c(O)c2ncccc12 20439850 ZKVXQPRLXAKKMS-UHFFFAOYSA-N 302.374 2.309 10 10 DECE CS(=O)(=O)c1ccc([S@@](=O)CCc2ccc(N)cc2)cc1 63131666 AVCHSCLPGFBMGY-HXUWFJFHSA-N 323.439 2.023 10 10 DECE OC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 126641404 IIRMXOPLTLKUSJ-JWTNVVGKSA-N 302.418 2.011 10 10 DECE Cc1noc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 188481739 KPTLNGUMVIMJSL-OAHLLOKOSA-N 302.378 2.018 10 10 DECE CCOC(=O)COc1cccc(/C=C2/SC(=S)NC2=O)c1 210894319 CKEAECGRPQCTKM-YRNVUSSQSA-N 323.395 2.117 10 10 DECE COc1cc(Br)cc([C@@H]2CCOCCN2)c1O 1952833733 KQHYZZUGZPSDEV-JTQLQIEISA-N 302.168 2.214 10 10 DECE Cc1nc(S(=O)(=O)Nc2ccc(O)cc2F)c(Cl)n1C 2364205886 ODLOASVLYWYUNO-UHFFFAOYSA-N 319.745 2.027 10 10 DECE CSC[C@@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1 249430120 GWLPLXDOMXSFAS-LSDHHAIUSA-N 311.447 2.097 10 10 DECE NCc1ccc(N2CCO[C@H](CCF)C2)cc1Br 700584298 HADDGHYBCZYQJV-GFCCVEGCSA-N 317.202 2.473 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@H]1COC2(C)C 611658205 RYNSSZQBFROJJB-SGTLLEGYSA-N 316.401 2.293 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3cccc(F)c3O)[C@H]2C1 295123857 NOLARWNAWJMHQC-IMRBUKKESA-N 322.380 2.486 10 10 DECE C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 804975748 SCLKDPQWLMGDQQ-XJKSGUPXSA-N 303.406 2.121 10 10 DECE O[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C2(CCC2)C1 817418042 YBWOBXFEKMPBCI-GOSISDBHSA-N 316.445 2.403 10 10 DECE O=C1N[C@H](c2ccc(O)c(O)c2O)[C@H](Cc2ccccc2)O1 575255634 MGUYPSHRFAYLDE-QWHCGFSZSA-N 301.298 2.196 10 10 DECE Cc1cc(O)c(CN2CC[C@H](Cn3ccnn3)C2)c(Cl)c1 826852003 JOPXNOZOSVBRCG-LBPRGKRZSA-N 306.797 2.468 10 10 DECE CS(=O)(=O)CC1(CCNCc2ccc3c(c2)CCCO3)CC1 922235489 FNLODNXYMJIXJP-UHFFFAOYSA-N 323.458 2.316 10 10 DECE OC[C@H]1C[C@@H](CO)N(c2ccc(OCc3ccccc3)cc2)C1 1899867797 RLDCYJNOXXTCRR-WMZOPIPTSA-N 313.397 2.445 10 10 DECE CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc3c(c2)CCO3)C1 850353446 DAFSSIBPNFXHRY-OIISXLGYSA-N 305.418 2.277 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H](C)c3nccn3C)C2)cc1 850488897 PBBCDUUZTHBPFH-UONOGXRCSA-N 300.406 2.358 10 10 DECE COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1CO 780985212 PTZBIPQWHWPJCK-UHFFFAOYSA-N 303.314 2.159 10 10 DECE CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1138540941 FVYYXBYPBQAQLH-CHWSQXEVSA-N 303.366 2.062 10 10 DECE CCN1CC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 899223657 IRSCLGUXNFBYQI-SNVBAGLBSA-N 306.387 2.137 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC[C@H](CCF)C2)cc1 689445295 RCAOWMMEWOTRCE-GFCCVEGCSA-N 300.399 2.170 10 10 DECE Cn1ccnc1CNCc1cc(Br)cc(F)c1O 715796360 NYQCJTBOSZLBPT-UHFFFAOYSA-N 314.158 2.317 10 10 DECE COc1cc(NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1O 797819965 ZETCEJZLKUQBFP-GHMZBOCLSA-N 314.407 2.035 10 10 DECE CNCc1ccc(N2CC(N3CCCC3)C2)cc1Br 697752301 UZIGEIYHWPPVDV-UHFFFAOYSA-N 324.266 2.453 10 10 DECE COc1ccc(OCCC(=O)NCc2ccc(O)cc2O)cc1 1162272027 ZFEKIVPANXIDDJ-UHFFFAOYSA-N 317.341 2.192 10 10 DECE N[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1915443477 IYSMFXLZKIIBFP-CRAIPNDOSA-N 323.396 2.434 10 10 DECE CN(CC1(CO)CC1)c1cc(Br)c(CN)cc1F 1915524033 NEDJRWJOSDMXMJ-UHFFFAOYSA-N 317.202 2.256 10 10 DECE O=C(O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 1351743306 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COc1cccc(O)c1CNC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 1977997063 VUIHJWCNMIUHOD-YPMHNXCESA-N 322.405 2.404 10 10 DECE C[C@H](COCc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1 1988089419 OATQENZBCWFWSV-LLVKDONJSA-N 317.341 2.139 10 10 DECE O=C1NC(=S)SC1=Cc1cnn(Cc2ccccc2)c1 2040483238 OLQUBZSXZFXJIN-UHFFFAOYSA-N 301.396 2.420 10 10 DECE CCCC(=O)NCCNCc1ccc(Br)cc1O 691389021 AQZIRWMFDWPMJV-UHFFFAOYSA-N 315.211 2.161 10 10 DECE Oc1cc(Br)ccc1CNCC12CCN(CC1)C2 715611959 QNFZBYBSVKTVOD-UHFFFAOYSA-N 311.223 2.340 10 10 DECE OC[C@@H]1C[C@H](NCc2cccc(Br)c2O)[C@@H]2C[C@H]12 2048008046 GNDQUUNEDGCYJL-WGBDABJCSA-N 312.207 2.261 10 10 DECE COc1ccc(Br)c(CN[C@H]2[C@H]3OCC[C@@H]32)c1O 2220464661 RSFRKRNWLZBWQR-QUUYKZCZSA-N 314.179 2.040 10 10 DECE COC(=O)[C@@H]1CN(C(=O)C=Cc2cccnc2)c2ccccc21 2297524606 YUBIIJCOAUDLPJ-OAHLLOKOSA-N 308.337 2.398 10 10 DECE CC[S@](=O)CCNCc1ccc(C)c(Br)c1O 2307477777 PVCQLNVCADROAB-KRWDZBQOSA-N 320.252 2.321 10 10 DECE Cc1ccc(CNC2[C@H]3CNC[C@H]2C3)c(O)c1Br 2327625704 FXWBKUUOPQOOSE-GHMZBOCLSA-N 311.223 2.161 10 10 DECE CCN(CC)CCN1CCN(c2ccc(OC)c(F)c2)CC1 181370759 HVLJUUYOSZNYBC-UHFFFAOYSA-N 309.429 2.298 10 10 DECE COc1ccc(N(C)C[C@H](O)CN2CCC(C)CC2)cc1F 131432267 QRRPWHCFNCCTNX-HNNXBMFYSA-N 310.413 2.363 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](c2ccc(O)c(O)c2)[C@H]([N+](=O)[O-])C1 382702521 DCWFUFPTIZCBON-GHMZBOCLSA-N 324.333 2.077 10 10 DECE Oc1ccc(Br)cc1CN1CCC2(CCN2)CC1 817865903 OMLGFEFUVOOQSI-UHFFFAOYSA-N 311.223 2.483 10 10 DECE CCOc1ccc(O)c(CN[C@H](C(=O)N(C)CC)C(C)C)c1 824677634 HAUJFNPQSTXDJE-INIZCTEOSA-N 308.422 2.383 10 10 DECE C[C@H](N)CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 829003553 PEKLRWBBUUEJCZ-DZGCQCFKSA-N 306.406 2.027 10 10 DECE COCC1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835026924 YYBICNPHTDBTCO-SNAWJCMRSA-N 304.434 2.239 10 10 DECE Cc1cc(CC(=O)N2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccccc1 832700504 ANUDHVBTOSLMJM-FXAWDEMLSA-N 324.424 2.477 10 10 DECE O=C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C2CC2)C1 912183254 GMFZTRKGIHLPNH-XCVZWFEFSA-N 301.342 2.081 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CNCC[C@@H]1C 841977629 NPALRYFHBXIAOX-ZFWWWQNUSA-N 305.422 2.312 10 10 DECE C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(Br)cc1O 850545725 DQANWCSWLNOXMG-WPRPVWTQSA-N 313.195 2.084 10 10 DECE COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850347494 SMWIVFVCDKZGQJ-NSNWQYSKSA-N 318.417 2.061 10 10 DECE CC(C)[C@H](N)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 851658396 BNWTXLSPGVQBCI-CZUORRHYSA-N 306.454 2.486 10 10 DECE COC(CCN[C@H](C)c1ccc(N2CCOCC2)cc1)OC 851899198 ZCZCGMHYYLIHSY-CQSZACIVSA-N 308.422 2.183 10 10 DECE C[C@@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1O 868626631 KKSXLEKDPKHPLE-GHMZBOCLSA-N 300.362 2.033 10 10 DECE COc1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 862433596 YPOCWLWURORLEM-KRWDZBQOSA-N 303.358 2.104 10 10 DECE OC[C@H]1CC(F)(F)CN1Cc1c(O)cccc1Br 862335719 OENAAAQJINBSLC-MRVPVSSYSA-N 322.149 2.357 10 10 DECE C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1ccc(N(C)C)cc1 872857407 DLRSYUNNNPICOW-GLQYFDAESA-N 304.390 2.431 10 10 DECE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1c1ccc(N)cc1 1959569116 ULSNEINZXJMORK-SKDRFNHKSA-N 301.312 2.305 10 10 DECE CC(C)(C)[C@H](O)C[C@@H](CO)NCc1c(O)ccc(Cl)c1F 790620222 YBWDPYQISNXJTA-TVQRCGJNSA-N 319.804 2.432 10 10 DECE C[C@H](N)c1ccc(N2CC3CC2(CO)C3)cc1Br 694587208 DVZVRZNGWNQAHH-IPWFMCSPSA-N 311.223 2.430 10 10 DECE CO[C@](C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1141140606 MCAGDKHPDRTWGI-GOSISDBHSA-N 315.369 2.318 10 10 DECE Cc1ccc(O)c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 1167290604 HONYNLOSQRLXEA-UHFFFAOYSA-N 319.382 2.034 10 10 DECE CCN(CC)CC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 1348329859 RLRHCJFLKNMKRG-XOVSCCBYSA-N 306.406 2.348 10 10 DECE Cc1cc(NCc2cc(Br)ccc2O)nc(CO)n1 1346131848 TUYGQSQLHLJMMB-UHFFFAOYSA-N 324.178 2.358 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc(O)nc2ccccc12 1455349152 OYOSXEWPLVJVPX-UHFFFAOYSA-N 310.309 2.282 10 10 DECE CN(C)c1ccc(-c2nc(Br)c3n2CCNC3)cc1 211361054 DEUBWPOUZZWIDH-UHFFFAOYSA-N 321.222 2.482 10 10 DECE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 1628160187 FOJCXBBHZZBLNA-LBPRGKRZSA-N 323.389 2.219 10 10 DECE C[C@]1(O)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1635797965 YMSLNNCJXNTEAF-HNNXBMFYSA-N 304.350 2.226 10 10 DECE O=C(C[S@@](=O)c1ccc(Cl)cc1)NCc1ccccc1O 1630362983 DVTQHRPLFXHMNU-OAQYLSRUSA-N 323.801 2.470 10 10 DECE O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cccc(O)c1O 1568292642 NQWFARLDZFWMTC-UHFFFAOYSA-N 314.276 2.274 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCOCC2)[C@H]1C1CC1 1641278099 RXHOBVVNHGCMEM-QGZVFWFLSA-N 317.385 2.058 10 10 DECE NCc1ccc(N2CCCC[C@H]2C(N)=O)c(C(F)(F)F)c1 163698128 XIAVDMZVSKKNOZ-LBPRGKRZSA-N 301.312 2.008 10 10 DECE CC(C)(C)OC(=O)NCc1nc([C@H](N)c2ccccc2O)co1 1938758086 MAOBSXSDEZLAFW-CQSZACIVSA-N 319.361 2.453 10 10 DECE COC[C@@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 1875836979 PXWVRNVUVUMEDE-GZMMTYOYSA-N 304.159 2.418 10 10 DECE COc1ccc(Br)c(CN[C@H]2CCOC2)c1O 1964032724 NCVLRSDKHJMOSE-QMMMGPOBSA-N 302.168 2.042 10 10 DECE OCc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1948381270 HFKBBIFSSLCVFL-VQTJNVASSA-N 324.424 2.269 10 10 DECE CCn1c(O)nnc1Sc1ncc(CNC(C)(C)C)s1 2155332941 RPWXXISJYKLPCC-UHFFFAOYSA-N 313.452 2.499 10 10 DECE CC(C)OC(=O)CNCc1cc(Br)ccc1O 308753370 FUKKFELHMXVPJE-UHFFFAOYSA-N 302.168 2.196 10 10 DECE OC[C@H]1CC[C@@H]1NCc1cc(Br)cc(F)c1O 2213309820 JJRRUNCFCXIFGE-HQJQHLMTSA-N 304.159 2.154 10 10 DECE CN(C)[C@H]1[C@@H]2CN(Cc3cccc(Br)c3O)C[C@@H]21 384768633 OXFNHMBJTYZQIQ-PJXYFTJBSA-N 311.223 2.147 10 10 DECE C[C@@H]1Cc2ccccc2N(C(=O)c2c[nH]nc2[C@@H]2CCNC2)C1 2063947921 LVYXMLKNMCSJHH-TZMCWYRMSA-N 310.401 2.326 10 10 DECE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2179604080 PCFLSGDLFJOXOY-AEJSXWLSSA-N 308.354 2.382 10 10 DECE CCNC(=O)c1cnn(Cc2c(O)cccc2Br)c1 2069943067 RNBHHUROXUHSSV-UHFFFAOYSA-N 324.178 2.149 10 10 DECE CCCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(F)cc1O 2170593972 KQPSPHSDRIWXLX-WDEREUQCSA-N 303.399 2.395 10 10 DECE C[C@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1302538642 XSJFMDIEPOUYGI-WCFLWFBJSA-N 320.389 2.483 10 10 DECE O=S1(=O)C[C@H]2CCC[C@]2(NCc2cccc(Cl)c2O)C1 2201874314 NXZFIMUBFJWAHP-RISCZKNCSA-N 315.822 2.103 10 10 DECE CSc1ncc(CNC[C@H](N)COCc2ccccc2)s1 2241620872 MJVDNKVKNRDNKW-ZDUSSCGKSA-N 323.487 2.499 10 10 DECE CC1=NN(c2ccccc2)C(=O)C1=C(N)Nc1nc(C)cc(C)n1 2295478347 ZVFUGGJTWNYXSP-UHFFFAOYSA-N 322.372 2.098 10 10 DECE CS(=O)(=O)[C@H]1C[C@H](CN2CCCC[C@H](CN=[N+]=[N-])C2)C1 2285348688 YEAXKOZFOWOVEQ-JHJVBQTASA-N 300.428 2.222 10 10 DECE Cc1ccc(CN(C)C[C@H]2C=CCN2)c(O)c1Br 2327793042 RFBAHTZGKJQZED-GFCCVEGCSA-N 311.223 2.423 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1Cc1ccc(O)c(O)c1 1952610389 GERUAPYFNZCFKV-QWHCGFSZSA-N 322.405 2.367 10 10 DECE Nc1cc2c(cc1N(CCO)Cc1ccccc1)CCC(=O)N2 302932807 OZUDAKJWJFHZGY-UHFFFAOYSA-N 311.385 2.152 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3ccc(O)cc3O)[C@H]2C1 300215686 BHUARJYIUORHCL-NHAGDIPZSA-N 320.389 2.053 10 10 DECE CC[C@@](C)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)F 2361879514 NYZYYWRCSZPMCM-ZDUSSCGKSA-N 306.378 2.370 10 10 DECE CN(Cc1cc(Cl)ccc1O)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361671002 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Cc1cc(Cl)cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O 776221910 XEPKJNAAFBNFDI-OWYVNGRQSA-N 308.809 2.453 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-n2ccnc2)cc1 1136428472 AOFUQEYJWZWUBA-UHFFFAOYSA-N 323.352 2.142 10 10 DECE COc1ccc(O)c([C@@H](C)NCC[S@](=O)C(F)(F)F)c1 895256722 IJOQZHKPSZVNJK-SQFXPLBJSA-N 311.325 2.320 10 10 DECE CN1C[C@@H]2[C@H](CCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 897826216 VONHAOMUETVSRF-MWLCHTKSSA-N 318.398 2.089 10 10 DECE C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)c2nccn21 1228340678 TUHNKYQCTRYDOO-WCQYABFASA-N 300.362 2.436 10 10 DECE C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331939863 YZIHKKMZNHRRPZ-GXTWGEPZSA-N 316.401 2.272 10 10 DECE O=C(Cc1ccc(O)c(O)c1)OCCOCc1ccccc1 1910532873 QPQNKIYRAOPHKQ-UHFFFAOYSA-N 302.326 2.400 10 10 DECE COc1ccc(O)c(CNCCCNC(=O)OC(C)(C)C)c1 224795382 MPEAUCXVKNHNGB-UHFFFAOYSA-N 310.394 2.405 10 10 DECE Cc1c(C(=O)NCc2ccc(O)cc2O)cccc1[N+](=O)[O-] 1626833925 QBROTDFIAASCAP-UHFFFAOYSA-N 302.286 2.244 10 10 DECE O=C(NCc1ccc2cccnc2c1O)C(=O)c1ccc(O)cc1 1570533403 ACRQDORGSLJTDT-UHFFFAOYSA-N 322.320 2.145 10 10 DECE COc1ccc(CN[C@@H](C)CN(C)C(=O)CC(C)(C)O)cc1C 1734324765 NLYMKNVRIYMTMB-AWEZNQCLSA-N 322.449 2.101 10 10 DECE CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccncc3)c2C)C1=O 5904955 LLLNKTBEFVCDFM-GDNBJRDFSA-N 310.357 2.402 10 10 DECE Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 160379772 JNDGECGSDOHPDM-CQSZACIVSA-N 309.369 2.256 10 10 DECE CN[C@H](c1ccccc1O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 1936971609 AURVJPFORJJECE-DZGCQCFKSA-N 323.437 2.108 10 10 DECE CCCNCc1ccc(N(C)CC(N)=O)c(C(F)(F)F)c1 163672777 TUJDJHQHRAXOCF-UHFFFAOYSA-N 303.328 2.127 10 10 DECE COc1cc(O)c2c(=O)c3cc(OC)c(O)c(O)c3oc2c1 14649032 UBCXIVCXMABZNZ-UHFFFAOYSA-N 304.254 2.080 10 10 DECE biogenic,in-vitro CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NCCCN=[N+]=[N-])C1 1895876199 RUIYDDKIZKQPLW-CABCVRRESA-N 323.397 2.450 10 10 DECE C[C@@H]1OCCO[C@@H]1CNCc1cccc(Br)c1O 2027192684 LYXRLTVNQFJERJ-JOYOIKCWSA-N 316.195 2.048 10 10 DECE CNCc1ccc(OC)c(CS(=O)(=O)c2cccs2)c1 81927239 RSFQFZGMVSTDSD-UHFFFAOYSA-N 311.428 2.450 10 10 DECE C[C@@]1(C(F)(F)F)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2161743316 BHRPMWSBRDGRPE-GHMZBOCLSA-N 308.325 2.029 10 10 DECE CCc1nn([C@H](c2ccc(OC)cc2O)C2CC2)c(N)c1CN 2079977704 QCDCPZYUGWNJAE-INIZCTEOSA-N 316.405 2.200 10 10 DECE C[C@H]1C[C@H](NCc2ccc(Cl)cc2O)CCS1(=O)=O 2090123590 DRQXNCQZJWDETQ-JOYOIKCWSA-N 303.811 2.101 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](F)C2)c(Br)c1 2219159002 NVXWXOZDCADNEF-GDPRMGEGSA-N 317.202 2.378 10 10 DECE C[C@H](NCCS(=O)(=O)C(F)(F)F)c1ccc(F)cc1O 2232496417 HAIGPLHJHIEKGT-ZETCQYMHSA-N 315.288 2.117 10 10 DECE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Cl 2279421014 ICLBBWPSJBFQGL-ZYHUDNBSSA-N 317.838 2.234 10 10 DECE CC[C@H](C)N(CC(=O)O)C(=O)NCc1cnc(SC)s1 2284544505 PTPDVOBZFWMDES-QMMMGPOBSA-N 317.436 2.260 10 10 DECE Cc1ccc(/C=C/C(=O)N2CCNC(=O)c3ccccc32)cn1 491998318 HLLJANUHPFUHOE-CMDGGOBGSA-N 307.353 2.180 10 10 DECE CC(C)[C@H](CO)N(C)c1ccc(CO)c(Br)c1 2302551619 LQUYURRBBXJROY-ZDUSSCGKSA-N 302.212 2.395 10 10 DECE Cc1ccc(CNC(=O)[C@H](N)C(C)C)c(O)c1Br 2327586558 OMWOWDXVFLDBOK-LLVKDONJSA-N 315.211 2.063 10 10 DECE Cc1ccc(CNC(=O)[C@@H](C)[C@H](C)N)c(O)c1Br 2327584970 DZNOEUBMQMWMLH-IUCAKERBSA-N 315.211 2.063 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(CCOC)C(C)C)c(Cl)cc21 123169989 CRHCYIZPLZPKSD-CQSZACIVSA-N 311.813 2.414 10 10 DECE CCOC(=O)C1CCN(c2ccc(OCCN(C)C)cc2)CC1 71702349 LSDPQWBSUZEVDC-UHFFFAOYSA-N 320.433 2.407 10 10 DECE Cn1c(-c2ccc(O)c(O)c2O)csc1=Nc1ccccn1 254480531 WDEDZVNPMXYUBR-UHFFFAOYSA-N 315.354 2.498 10 10 DECE CC(C)OC[C@H](O)CNCc1ccc(N2CCSCC2)cc1 818964549 ZHBZJHHLAJHHJW-QGZVFWFLSA-N 324.490 2.115 10 10 DECE COc1ccc(CNC(=O)[C@H]2CCc3cccc(O)c32)c(O)c1 816550265 MRLPKDVJWMEPKB-AWEZNQCLSA-N 313.353 2.453 10 10 DECE C[C@@H]1CC[C@@H](O)CN1C(=O)NCCCSc1nccs1 817776201 BUBZFMQYTUWXLF-GHMZBOCLSA-N 315.464 2.180 10 10 DECE O=C1N[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)[C@H](C2CCCC2)O1 725379571 OHSKVMQMIHSCQW-AAEUAGOBSA-N 308.290 2.346 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H](C)[C@@H]3C[C@@H]3C(=O)O)C2)cc1 902377003 BQBJKGDUBJSLSJ-OMNBBPDLSA-N 318.417 2.220 10 10 DECE CO[C@@H]1COCC[C@H]1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 828861283 NWWGLWULNATPPK-UKPHBRMFSA-N 320.433 2.371 10 10 DECE CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(O)cs1 731870540 PKBNABHNZOTGFW-ZDUSSCGKSA-N 304.415 2.356 10 10 DECE C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C/c1ccc(N(C)C)cc1 835025543 KSAPAYJDACSERS-ATQQARJTSA-N 301.434 2.352 10 10 DECE COC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 846060410 NDXOMONHQXBWBN-WVBURXTLSA-N 318.417 2.028 10 10 DECE CC[C@H](C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC 843938266 CWFWVPYOHYSVHJ-APPLLFRUSA-N 321.373 2.205 10 10 DECE CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C(C)(C)C 912029973 DCFZLRODCUBDAT-BVBGJJFLSA-N 318.417 2.300 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@@H](C2CC2)C1 921993015 UZVBPDBIGJTWRS-XHDPSFHLSA-N 308.353 2.288 10 10 DECE O=C(NCCCSc1nccs1)N[C@@H](CO)C1CCC1 853855957 MMCJZJRSDPWWDN-NSHDSACASA-N 315.464 2.086 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CCOC2)c1 784542763 UZOGSJOKLJIFCA-NWDGAFQWSA-N 308.378 2.188 10 10 DECE CCN(CCC(=O)OC)C(=O)c1cc2cc(O)c(O)cc2s1 896627994 QKLVUBPXAKJQQQ-UHFFFAOYSA-N 323.370 2.338 10 10 DECE CO[C@H]1CC[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C1 895928976 WREKOUOBBVWKOV-LPHOPBHVSA-N 317.477 2.438 10 10 DECE CON(CCN)Cc1cc(Cl)cc(Br)c1O 708135094 VRYBYVPCCFBTIP-UHFFFAOYSA-N 309.591 2.130 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCN1C 715716571 HAWBPDVGDVFQRQ-SECBINFHSA-N 317.202 2.430 10 10 DECE CCS(=O)(=O)[C@@H]1CSCCN1c1ccc([C@@H](C)N)cc1 90927231 VSDGNCVCNVLNDC-BXUZGUMPSA-N 314.476 2.020 10 10 DECE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccnc3)C2=O)cc1C 1084396181 QUEWWSLCZNMHRF-DHDCSXOGSA-N 321.336 2.365 10 10 DECE CCn1cc(C(=O)C(=O)NCc2c(O)ccc3ccccc23)cn1 1304090042 WCVVAGDHYDVOKI-UHFFFAOYSA-N 323.352 2.261 10 10 DECE O=C(Cn1ccc(C(F)F)n1)NCc1cc(Cl)ccc1O 1165508133 LTKOTXSWBSPQJZ-UHFFFAOYSA-N 315.707 2.496 10 10 DECE CC[C@H](OC)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1265756809 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2.419 10 10 DECE CS[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235171190 NYMDPVQRBOYQOQ-ZIAGYGMSSA-N 314.476 2.362 10 10 DECE CC[C@@H](CO)NCc1c(Br)ccc(OC)c1O 1964020645 ZAYONMDFWWCMLP-QMMMGPOBSA-N 304.184 2.024 10 10 DECE N[C@H](c1ccccc1O)[C@@H](O)c1cncc(Br)c1 2031156324 BQGJCJMXZMMMCV-OLZOCXBDSA-N 309.163 2.283 10 10 DECE Nc1ccc(NC(=O)COc2cncc(Br)c2)cc1 70486154 QCMWHAUKDDRMNO-UHFFFAOYSA-N 322.162 2.444 10 10 DECE NC[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 715765217 CYYDMGCBTVZOHY-QMMMGPOBSA-N 303.175 2.074 10 10 DECE CN(C[C@]1(C)COCCO1)c1cc(Cl)c(CN)cc1F 2177388379 MNCBQMAEKXDAAA-CQSZACIVSA-N 302.777 2.180 10 10 DECE COc1ccc(N2CC[C@@H](N)[C@@H]2C)c(OC)c1Br 2044262069 LEOZIAZJUIYVFK-DTWKUNHWSA-N 315.211 2.392 10 10 DECE OC[C@@H]1C[C@H](NCc2c(O)cccc2Br)[C@@H]2C[C@H]12 2048010551 VMGYLXPRXZQOQK-WTBMIXGQSA-N 312.207 2.261 10 10 DECE NCc1ccc(N2C[C@@H]3CCO[C@H]3C2)c(F)c1Br 2051990024 JZJIKVHIFCQIMW-ONGXEEELSA-N 315.186 2.272 10 10 DECE CON1CC[C@@H](NCc2cc(Br)cc(F)c2O)C1 2052631220 GPFYQHLQLKXSIM-SNVBAGLBSA-N 319.174 2.019 10 10 DECE COC[C@H]1C=CCN1c1ccc(CN)c(Br)c1F 2062036478 MTWPZHRRZAKMCJ-SNVBAGLBSA-N 315.186 2.438 10 10 DECE C[C@H](NCc1nn(C)nc1Br)c1ccccc1O 2072483987 LFVLHXSCMCURHI-QMMMGPOBSA-N 311.183 2.134 10 10 DECE C[C@@H](O)c1ccc(N2CC(n3ccnn3)C2)c(Br)c1 2113831501 ATUWCPXBKRWUBO-SECBINFHSA-N 323.194 2.155 10 10 DECE CON(C)CCCNCc1c(O)cccc1Br 2213549322 QZUOEOMKTWRZHZ-UHFFFAOYSA-N 303.200 2.128 10 10 DECE CN(C)C[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 2206380891 KBBWBCCPTNGJBN-GWCFXTLKSA-N 319.232 2.365 10 10 DECE CN(C)C[C@@H]1C=CCN1c1ccc(CO)c(Br)c1 2222819212 DSAOYWZXBSIBAX-ZDUSSCGKSA-N 311.223 2.248 10 10 DECE COC(=O)C1=C(C)NC(=O)C1=Cc1ccc(Br)cc1 2294028352 BWPVJJIZLFRNTD-UHFFFAOYSA-N 322.158 2.409 10 10 DECE CN(C(=O)/C=C/c1cnccn1)c1ccc(Br)cn1 491123069 ZWLNCNBTHKOCKI-HWKANZROSA-N 319.162 2.310 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N(CCO)Cc1ccccc1 2307986325 NTOFAKAIJCZHEN-UHFFFAOYSA-N 313.353 2.132 10 10 DECE CN(C[C@H]1[C@@H]2CCO[C@@H]21)c1ccc(CN)cc1Br 2309875730 QHCFXJRKYGZFAI-MJVIPROJSA-N 311.223 2.379 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)Cc2ccc(O)c(O)c2)C1 1952718062 UZOFCZBLXQACAX-OLZOCXBDSA-N 322.405 2.225 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnn3c2CCCC3)c1 128467120 BQPRFNHVLPCUAC-NSHDSACASA-N 315.373 2.425 10 10 DECE Cc1cc(C(=O)CN(C)CCO)c(C)n1-c1ccc(F)cc1 123124142 QCRCTBBOUVXSSO-UHFFFAOYSA-N 304.365 2.340 10 10 DECE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2358570701 UGNFQVLRBMIUBC-XFWSIPNHSA-N 308.354 2.429 10 10 DECE N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCCSc1nccs1 246181083 CEABLRDYXKEOML-NNYUYHANSA-N 311.476 2.115 10 10 DECE CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(N)cc2)C1 243962050 SAWPDCIJRYGEKF-LLVKDONJSA-N 307.419 2.241 10 10 DECE COCc1cc(CN(C)c2ccc(OCC(=O)OC)cc2)no1 297816772 YPYWDFOTSDIAIR-UHFFFAOYSA-N 320.345 2.009 10 10 DECE OCc1ccnc(NCc2cc(Br)ccc2O)n1 804828487 QPOLFDGVTKOHEN-UHFFFAOYSA-N 310.151 2.049 10 10 DECE CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 824654937 SGHFVLXSTLAWOY-YSVLISHTSA-N 321.417 2.153 10 10 DECE COc1cc(Cl)cc(CNC[C@@H](OC)[C@H]2CCOC2)c1O 826821768 CSOMVCPIYHRRET-IINYFYTJSA-N 315.797 2.195 10 10 DECE COc1ccc(CNc2nc(N)nc3c2CCCC3)c(O)c1 826035814 JJJUWENFIOSWJU-UHFFFAOYSA-N 300.362 2.264 10 10 DECE CNC(=O)[C@H](CCSC)NC/C=C/c1ccc(N(C)C)cc1 835056360 UHDNAHRLIWBROP-JFDDCEBESA-N 321.490 2.223 10 10 DECE Cc1cc(CC(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 831556153 UPPQRILSRMJGAK-ACJLOTCBSA-N 312.413 2.476 10 10 DECE COc1ccc(O)c(CN[C@@H]2CCCc3c2ccc(=O)n3C)c1 846122703 LLWQHAMWGXGDNG-OAHLLOKOSA-N 314.385 2.267 10 10 DECE C[C@H]1CNCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 841710516 XPBILLJDAKPJFR-YOEHRIQHSA-N 316.449 2.084 10 10 DECE O=C(NCc1c(O)cccc1F)c1cnc2n1CCCCC2 928712829 VTUUYIRUUKLTMC-UHFFFAOYSA-N 303.337 2.384 10 10 DECE Oc1ccccc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 850396359 UPGPBFWWQNMOQF-IAGOWNOFSA-N 302.418 2.125 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CCn3cccc3)C2)cc1 855230682 HSWAPDXYGHLVNF-OAHLLOKOSA-N 313.401 2.282 10 10 DECE CC[C@H](C[C@H](C)O)NCc1ccc(N2CCOCC2)c(F)c1 865873292 VZRKOFXWQAVDRN-DZGCQCFKSA-N 310.413 2.301 10 10 DECE O=C(CCOCC(F)F)NCc1ccc2cccnc2c1O 862026580 TZEMRKJDHJPTQK-UHFFFAOYSA-N 310.300 2.228 10 10 DECE C/C=C\C[C@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 761181364 VELJAADYZXPLCP-ABCZVMIZSA-N 313.401 2.456 10 10 DECE COc1cc(N)c(N(CCO)Cc2ccccc2)cc1OC 390790328 WCKSFIOSMDDMSO-UHFFFAOYSA-N 302.374 2.285 10 10 DECE Cc1noc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1136459122 IRKZZEWZPJKKLL-ZCFIWIBFSA-N 319.342 2.495 10 10 DECE COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(OC)c(C)c1 895863096 KRVSHETYZBHVNQ-HUUCEWRRSA-N 307.390 2.204 10 10 DECE C[C@H](NCc1ccc(N2CCCCC2)cc1)c1nnc(O)n1C 895185076 WAEFRPCVSJXEPG-ZDUSSCGKSA-N 315.421 2.362 10 10 DECE O=C1Nc2cc(N3C[C@@H]4CSC[C@H]4C3)c(Cl)cc2[C@@H]1O 711637490 JJXMJTFTDNJRTJ-RBDZCENOSA-N 310.806 2.125 10 10 DECE C[C@@H](NCc1n[nH]cc1Br)c1cc(O)ccc1O 718128790 MPWHZIFMECXSHE-SSDOTTSWSA-N 312.167 2.434 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc(O)nc2c1CCCC2 1176576231 HTXPEHGZRCYWNB-UHFFFAOYSA-N 314.341 2.007 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 1900611982 AZFXCMYKSXGPNG-LLVKDONJSA-N 323.397 2.402 10 10 DECE COc1ccc(CNCCN(C)C(=O)[C@H]2CC2(F)F)cc1C 1267370794 QZBVRDCXNWWNDB-CYBMUJFWSA-N 312.360 2.207 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Cc2ccnc(F)c2)c1 1465992658 KNIADJNKBQGDHU-JTQLQIEISA-N 304.321 2.355 10 10 DECE CCc1ccccc1NC(=O)CCN1C(=O)CSC1=S 1865768707 PIIXZQBZAZJXPI-UHFFFAOYSA-N 308.428 2.438 10 10 DECE COc1ncc(C(=O)NCc2cccc(O)c2O)cc1Cl 1471642766 ZULBROYKPLDSET-UHFFFAOYSA-N 308.721 2.085 10 10 DECE CC[C@H](CNCc1cccc(O)c1O)NC(=O)OC(C)(C)C 227720808 ARPSSEPXOQBGBF-GFCCVEGCSA-N 310.394 2.491 10 10 DECE CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1628752333 IDFLTOLOMUPZJF-YPMHNXCESA-N 304.350 2.082 10 10 DECE Cc1ccsc1[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O 1638548304 HVGJSJDUHJBFRU-SECBINFHSA-N 311.334 2.070 10 10 DECE COC(=O)/C=C\c1ccc(N2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 1772821740 JWFWVZDVKQAECY-OXTPZFROSA-N 320.345 2.395 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2conc2C)cc1C 1691458962 NBXQYGFTFKXRMW-UHFFFAOYSA-N 317.389 2.162 10 10 DECE CCC[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 158269956 OKJKMSIKSYQROF-ZDUSSCGKSA-N 312.435 2.099 10 10 DECE COc1cc(Cl)cc(CN[C@@H]2COC[C@H]2SC)c1O 2142550270 ATLZGLHRXVQJLK-ZYHUDNBSSA-N 303.811 2.274 10 10 DECE N[C@@H]1[C@H]2C[C@@H]1N(Cc1cc(Cl)cc(Br)c1O)C2 1947038846 MADWKCLNNPHLNG-NRZXQICZSA-N 317.614 2.340 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](NC)c1ccccc1O 1978459861 PGKXPBKWLSXXNT-AEGPPILISA-N 324.421 2.317 10 10 DECE CCCNCc1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2152232211 RESQDEKODVHYNO-UHFFFAOYSA-N 316.854 2.073 10 10 DECE Cn1ncc(Br)c1CNCc1ccc2c(c1)CCO2 693419819 OIRXMIWCWIUWHX-UHFFFAOYSA-N 322.206 2.407 10 10 DECE C[C@H]1CC[C@@H](O)CN1c1ccc(CN)c(Br)c1F 399339753 RTGMXRKHPYEZHA-WCBMZHEXSA-N 317.202 2.397 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 2185661640 VPKAMSFYHRTICX-UHFFFAOYSA-N 302.306 2.428 10 10 DECE O=C(O)[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1F 2057025228 JNXMLZFEMGFFPC-UWVGGRQHSA-N 318.142 2.009 10 10 DECE Cc1nn(C)c(Br)c1C(=O)Nc1ccc(N)cc1 2065890210 JWJGKYKDCHFMPE-UHFFFAOYSA-N 309.167 2.326 10 10 DECE CO[C@H](CNCc1cnc(SC)s1)[C@@H]1CCCOC1 2208649303 AAUJPFCYLFOOJV-ZYHUDNBSSA-N 302.465 2.396 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCN=[N+]=[N-])C2(CC2)C1 2245281299 NHZBBVLWCLQQFP-LLVKDONJSA-N 323.397 2.450 10 10 DECE C[C@@H](NC(=O)c1nccnc1Br)c1ccccc1O 2267849205 KJWDLEPULJGGTJ-MRVPVSSYSA-N 322.162 2.436 10 10 DECE CNCCOCCN(C)c1cc(Cl)c(OC)cc1OC 2285917101 MTSMMBZFXJLDRV-UHFFFAOYSA-N 302.802 2.029 10 10 DECE CN1CC[C@@H]2[C@H](CCCN2C(=O)C=Cc2ccc(O)c(O)c2)C1 2308002123 YBRCAJCQWWOLBW-HUUCEWRRSA-N 316.401 2.054 10 10 DECE Cc1ccc(CNC(=O)[C@H](C)N(C)C)c(O)c1Br 2327586321 MEXPRQWDDJYMRD-VIFPVBQESA-N 315.211 2.029 10 10 DECE Cc1nn(C)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 189718776 XGBXELLYAGTBIH-UHFFFAOYSA-N 315.377 2.225 10 10 DECE Cc1cc(C(=O)NCC(F)(F)CO)c(C)n1-c1ccccc1 183927148 JPQULUDSQHZLST-UHFFFAOYSA-N 308.328 2.452 10 10 DECE C[C@H](NCCCn1cccn1)c1ccc(N2CCOCC2)cc1 126968268 VCICIZCCTKMJHP-INIZCTEOSA-N 314.433 2.461 10 10 DECE CC[C@H](CC1CC1)NS(=O)(=O)CCOc1ccc(N)cc1 70490923 ACTVAHCEJOPGHU-CQSZACIVSA-N 312.435 2.146 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCCO[C@@H](C)C3)c(Cl)cc21 221200264 OPDXMIVBGVHWFH-LKFCYVNXSA-N 309.797 2.168 10 10 DECE CN(CCCN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1 702122141 YDAOZJNWUSTAQL-UHFFFAOYSA-N 309.369 2.391 10 10 DECE CCN(C)c1ccc(CN2CCC(c3nc(O)n[nH]3)CC2)cc1 815109220 WWMAWKTUYZJBKS-UHFFFAOYSA-N 315.421 2.346 10 10 DECE COC(=O)C1(C(=O)N(C)Cc2ccccc2O)CC2(CCC2)C1 830141243 PQVKMWQQKARVNJ-UHFFFAOYSA-N 317.385 2.474 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](CN2CCCC2)C1 588407137 FCXKATVGRGOFHC-ZDTYVGOBSA-N 316.401 2.055 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC(N3CCC3)CC2)cc1 912871556 WSFJHJJMZAPHGS-UHFFFAOYSA-N 315.377 2.159 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 844854653 CCIQZCNCBSRLKQ-KBPBESRZSA-N 312.360 2.491 10 10 DECE C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 919909419 RGWBAHNQGDBKGW-HNNXBMFYSA-N 315.417 2.383 10 10 DECE Cn1c(CNCc2ccc(N3CCOCC3)cc2)cnc1Cl 848528862 IRNTXLNSQNAILH-UHFFFAOYSA-N 320.824 2.200 10 10 DECE COCC1(CCNCc2ccc(N3CCOCC3)cc2)CC1 842728864 JJMAJKVZSCAKFY-UHFFFAOYSA-N 304.434 2.430 10 10 DECE CN1CCN(c2ccc(OCc3ccccc3)cc2)[C@@H](CO)C1 1899871607 YKALQYBVAGJNFM-GOSISDBHSA-N 312.413 2.378 10 10 DECE CC1(C)[C@H](CS(=O)(=O)NCc2c(O)cccc2F)C1(F)F 921450737 DPSYOGUCGYSJFL-NSHDSACASA-N 323.336 2.242 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)C1CCC1 851987089 KNCNKPCRPKQPQW-KRWDZBQOSA-N 317.433 2.247 10 10 DECE Cc1nn(C)cc1CNCc1ccc(Br)cc1O 691465183 UACWDYOMEMTFFG-UHFFFAOYSA-N 310.195 2.486 10 10 DECE CN(C)c1cc(F)c(CN2CCc3nccnc3C2)cc1F 862418892 RVIZTJUCHXECST-UHFFFAOYSA-N 304.344 2.379 10 10 DECE CC(C)[C@@]1(C)CN([C@@H](C)CN)c2cc3c(cc2N1)OCCO3 76930991 OUYDXKLYAPELRL-YVEFUNNKSA-N 305.422 2.452 10 10 DECE COc1cc(C)cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O 894093330 DFHWKQRKFWUVAG-HIFRSBDPSA-N 318.417 2.200 10 10 DECE Cc1sccc1CC(=O)OCC(=O)c1ccc(O)c(O)c1 784894947 WYWMMMKGLHSHST-UHFFFAOYSA-N 306.339 2.436 10 10 DECE CC1=NO[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 897897288 PMQUABPHCTZGIL-VIFPVBQESA-N 306.343 2.207 10 10 DECE COC(=O)C[C@H](C)NCc1ccc(Br)cc1O 691426421 HXPOKFVTVSPJIS-QMMMGPOBSA-N 302.168 2.196 10 10 DECE C[C@@H](COCc1ccccc1)NC(=O)c1cccc(O)c1O 193104697 ITKJQZYAZNUCHX-LBPRGKRZSA-N 301.342 2.433 10 10 DECE CN(C)c1ccc(CN[C@H]2CCCNC2=O)c(C(F)(F)F)c1 792947216 YLQJKASWASPTCB-ZDUSSCGKSA-N 315.339 2.140 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1N 715765684 JYIZKOPVRRPEEO-WRWORJQWSA-N 303.175 2.073 10 10 DECE COc1cccc(CNCCCNC(=O)OC(C)(C)C)c1O 105433433 NIKCKIRBFFUXKG-UHFFFAOYSA-N 310.394 2.405 10 10 DECE [N-]=[N+]=NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 1912183663 SCHZYDUNJLXRSU-UHFFFAOYSA-N 313.361 2.447 10 10 DECE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C(F)F)cc1C 1282085994 YEJGSDURSNTECB-QWRGUYRKSA-N 300.349 2.252 10 10 DECE COc1cccc(CNC(=O)c2cc(F)cc(F)c2N)c1O 1445971506 VQNNCUYISUVVAY-UHFFFAOYSA-N 308.284 2.191 10 10 DECE CON(C)C(=O)c1cc(F)ccc1NC(=O)c1cc(O)cs1 1449165729 MYJDHTCRWRHPDO-UHFFFAOYSA-N 324.333 2.479 10 10 DECE Cc1ccn(C)c(=O)c1NC(=O)c1ccc(N=NC(N)=O)cc1 1294363701 HATXVCOGLQFDHV-UHFFFAOYSA-N 313.317 2.108 10 10 DECE CC[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC 1292173835 SVOJMBPAUNQLHO-AWEZNQCLSA-N 304.394 2.354 10 10 DECE CCCc1nc(C)c(CNC(=O)Cc2ccc(O)c(O)c2)o1 1450730074 OIAAZIUVYQCHND-UHFFFAOYSA-N 304.346 2.206 10 10 DECE CC1=CC2=NC(=O)/C(=C\c3ccc(Br)o3)C(=N)N2O1 5013698 AXBARBTZUKCRHB-BMLZTELLSA-N 322.118 2.492 10 10 DECE COc1ccc(CNCC[C@@H](C)NC(=O)c2cn[nH]c2)cc1C 1568607606 KSWADKPMFYWWGO-CYBMUJFWSA-N 316.405 2.025 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2F)c2c(C)n[nH]c2n1 1645048345 RHHISGHWQWYQRO-UHFFFAOYSA-N 314.320 2.349 10 10 DECE O=C(N[C@H]1CCc2ccccc2NC1=O)c1cc(O)cs1 1583190130 GZRCQLFULCJLET-LBPRGKRZSA-N 302.355 2.137 10 10 DECE Cc1cc(CN[C@H](C)c2nnnn2C)ccc1N1CCCCC1 1660508078 OZEOWQZUIZZVOI-CQSZACIVSA-N 314.437 2.360 10 10 DECE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](N)c1ccccc1O 1936987190 PWPMNJQQMYHLMN-GZBFAFLISA-N 322.405 2.274 10 10 DECE NCCN(Cc1c(O)cccc1Br)CC(F)F 1941573506 PIHGCJGZXYYBCV-UHFFFAOYSA-N 309.154 2.181 10 10 DECE Cc1cccnc1NC(=O)CNCc1cc(Cl)ccc1O 1857858428 WWFXYLHAJBWFSX-UHFFFAOYSA-N 305.765 2.477 10 10 DECE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)NCCCN=[N+]=[N-] 1964884733 RRWZIMUSKPZZOT-VIFPVBQESA-N 303.338 2.056 10 10 DECE CC(C)(C)OC(=O)NC1CCN(Cc2cc(N)ccc2O)CC1 1977888927 WGTXZTVRRWCBBZ-UHFFFAOYSA-N 321.421 2.464 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H](F)C2)c(Br)c1 2027968292 DHDXFKFODYSMIW-DYLAAIIWSA-N 318.186 2.412 10 10 DECE NCc1ccc(N2CCS[C@H]3COCC[C@@H]32)c(F)c1F 2170502477 GEXBIXJSFWYQDV-JQWIXIFHSA-N 300.374 2.134 10 10 DECE C[C@H](N)c1ccc(N2CC(CN(C)C)C2)c(Br)c1 382339103 JJCYYKJXZVLZTP-JTQLQIEISA-N 312.255 2.467 10 10 DECE CC[C@]12CN3C[C@](C)(CN(C1)C3c1cccc(OC)c1O)C2=O 2059107133 PGRZKKGBLLDBOW-ZNXRZULTSA-N 316.401 2.016 10 10 DECE COC[C@@H]1CCOCCN1c1cc(Cl)c(CN)cc1F 2177381343 MCXRFEAXWAOMHA-NSHDSACASA-N 302.777 2.180 10 10 DECE CCNC(=O)c1cc(C)nn1[C@@H](C)c1c(O)cccc1OC 2070136563 JVFMTBCKORBCDW-NSHDSACASA-N 303.362 2.265 10 10 DECE Nc1ccc(S(=O)(=O)NCc2ccccc2O)c(Cl)c1 2191706180 GREFFAHONGSNJU-UHFFFAOYSA-N 312.778 2.106 10 10 DECE CNCc1ccc(N(CCO)[C@@H]2C[C@H]2C)cc1Br 2048202572 ULRJAYODZHHVJY-QMTHXVAHSA-N 313.239 2.376 10 10 DECE NCc1ccc(N2CC[C@]23C[C@@H](CO)C3)c(Br)c1 2061794010 CQVUWOMAACATJQ-YEORSEQZSA-N 311.223 2.259 10 10 DECE CCn1nncc1CN(C)c1ccc(CN)cc1Br 2100242783 USIPGGRNFNAXKY-UHFFFAOYSA-N 324.226 2.156 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(CO)s1 2101586850 OUZCIRWKZYBUAX-UHFFFAOYSA-N 319.791 2.400 10 10 DECE Cc1cccc(CNS(=O)(=O)c2cc(C=O)cs2)c1O 2204620851 KXOWKAXCQSZEFI-UHFFFAOYSA-N 311.384 2.053 10 10 DECE CSc1ncc(CNC(=O)N2CC[C@H]2CCC(=O)O)s1 2284506836 IVDGAUWFDOEOKX-MRVPVSSYSA-N 315.420 2.014 10 10 DECE CCOc1cccc(C=C2C(=O)NN(c3ccccc3)C2=O)c1O 2297329205 CUDHDUDSKHWVKD-UHFFFAOYSA-N 324.336 2.252 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H](O)c1cccc(F)c1 2308002261 OLANYOPWXLAKJB-INIZCTEOSA-N 317.316 2.100 10 10 DECE CCN[C@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2327799764 ABGUESFIAVBHLY-SECBINFHSA-N 315.211 2.077 10 10 DECE Cc1ccc(CN2CC(n3cnnc3)C2)c(O)c1Br 2352656272 JWGJDLNWQAGKJI-UHFFFAOYSA-N 323.194 2.112 10 10 DECE Oc1cccc([C@@H]2NC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O 309609273 LACXTXRRFKDTMY-KYJSFNMBSA-N 310.397 2.490 10 10 DECE CN(C[C@H](O)COCc1ccccc1)c1ccc2c(c1)OCO2 121253020 FDGGLFITOZRNGS-INIZCTEOSA-N 315.369 2.429 10 10 DECE CN1CCCN(c2ccc(CN)c(Br)c2F)CC1 231838841 JJPVEUVUESHFTR-UHFFFAOYSA-N 316.218 2.189 10 10 DECE CCN(CC)CCCNC(=S)N(C(C)=O)c1ccc(N)cc1 243068173 IJNVKRRZWKODJR-UHFFFAOYSA-N 322.478 2.228 10 10 DECE CCN(CC)C(=O)CN(C)Cc1cc(Cl)c(F)cc1O 295014516 VXHSNJNFLHVLBL-UHFFFAOYSA-N 302.777 2.485 10 10 DECE N=C1COC[C@H](c2cc(Br)cc(Cl)c2O)N1 396898594 IIGWJERLSSBXAP-MRVPVSSYSA-N 305.559 2.446 10 10 DECE CCC[C@H](O)CC(=O)NCc1cc(Br)ccc1O 804733801 ZMYCZUNALXHLFU-NSHDSACASA-N 316.195 2.322 10 10 DECE CCN1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 588406535 SRKSKVLEPYYVGP-IUCKJTJTSA-N 304.390 2.102 10 10 DECE COc1cccc(O)c1CN(CCN)CCc1ccccc1 843121750 KLXDJKDPUJFZNO-UHFFFAOYSA-N 300.402 2.404 10 10 DECE COC(=O)/C(C)=C/CN(Cc1ccccc1O)C[C@@H]1CCCO1 748817840 PHBFFFURJJUMKS-IDJPSDCMSA-N 319.401 2.493 10 10 DECE COc1cc(CNC[C@@](C)(CO)OC)c(O)c(C(C)(C)C)c1 850338443 HSNBCSYHYHUKRY-KRWDZBQOSA-N 311.422 2.185 10 10 DECE CCC[C@@H](C)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 850355469 FJCZNACKZSJRJZ-OAHLLOKOSA-N 324.490 2.447 10 10 DECE CC(C)(C)OC(=O)NCCCONCc1c(O)cccc1F 1958764800 WEEJVYNSWUAPCZ-UHFFFAOYSA-N 314.357 2.467 10 10 DECE C[S@](=O)Cc1ccccc1NC(=O)c1cccc(O)c1O 1138116306 QYNADUSHUFKUJD-NRFANRHFSA-N 305.355 2.229 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN1CCC(N)CC1 1340062706 HPOKODZNZCGPRV-ZFWWWQNUSA-N 303.450 2.262 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccn(C)n1 1353910009 DQUBYMLLBUHQNS-UHFFFAOYSA-N 312.417 2.221 10 10 DECE NC[C@H]1C[C@@H](F)CN1Cc1ccc(Br)cc1O 1923578689 IXARHIYWWCQAPL-GHMZBOCLSA-N 303.175 2.026 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cncn1-c1ccccc1 1557084554 FCKGWZRFJXHGGE-UHFFFAOYSA-N 309.325 2.214 10 10 DECE COc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1F 1630301449 ANTOWTKLFYQLRK-UHFFFAOYSA-N 319.332 2.495 10 10 DECE COc1ccc(OCC(=O)NCc2c(O)cccc2F)cc1 1652295910 UVYOOVHCQJAGQP-UHFFFAOYSA-N 305.305 2.235 10 10 DECE CCCNc1nc(Sc2nccs2)nc(-n2ccnc2)n1 150289678 SYPPUNKDQIEFIM-UHFFFAOYSA-N 319.419 2.487 10 10 DECE C[C@@H](NC[C@]1(O)CCSC1)c1ccc(N2CCOCC2)cc1 158129712 BOXNDRYOKCPFRX-RHSMWYFYSA-N 322.474 2.042 10 10 DECE [N-]=[N+]=NCCCNC(=O)c1ncc(Br)cc1F 1963699231 OABLHFUZMCYKFS-UHFFFAOYSA-N 302.107 2.413 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 1885561456 RQEGERQJHAYEIM-VIFPVBQESA-N 315.399 2.065 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2C(=O)NCCCN=[N+]=[N-] 1985102936 NXJJUPJQPAJWFE-FIXISWKDSA-N 323.397 2.496 10 10 DECE Cc1ccc([C@@H](C)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 1985771793 MYIHBSNLSMLRHW-CHWSQXEVSA-N 324.421 2.237 10 10 DECE Cc1c(Br)c(COc2cc(F)cnc2N)nn1C 2032843667 MLBXDYQLZKVHBR-UHFFFAOYSA-N 315.146 2.186 10 10 DECE NC(=O)C1(NCc2cc(Br)ccc2O)CCCC1 2036953182 MSUDSIAMNQLSKL-UHFFFAOYSA-N 313.195 2.042 10 10 DECE Cn1ncc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c1Br 692864014 ZXRILCPGWQEEIK-ZETCQYMHSA-N 313.159 2.098 10 10 DECE Cn1cc(NCc2cc(Br)cc(F)c2O)nn1 715722224 RVUFHISMUROAEK-UHFFFAOYSA-N 301.119 2.034 10 10 DECE C[C@@H]1C[C@@H](CN)CN1Cc1cc(Br)cc(F)c1O 715766037 MIJJHEIMOCGEOV-BDAKNGLRSA-N 317.202 2.463 10 10 DECE CCCN(CC(N)=O)c1ccc([C@H](C)N)cc1Br 723164421 DAECHAXDMVGULD-VIFPVBQESA-N 314.227 2.171 10 10 DECE C[C@H](N)c1ccc(N2CCN(C)[C@H]3C[C@H]32)c(Br)c1 2049380030 MXFHBIVGOFNZIS-QCZZGDTMSA-N 310.239 2.362 10 10 DECE O=C(O)[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1F 2057029577 QBHXCDZIEHIELC-ZJUUUORDSA-N 318.142 2.009 10 10 DECE C[C@@H](O)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)cc1Br 2067432525 RRXGOTUYCFWLQV-USWWRNFRSA-N 311.223 2.395 10 10 DECE NCC1(CO)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2202905063 APDBXOAPOVBDEY-UHFFFAOYSA-N 319.232 2.232 10 10 DECE C[C@@H](NCCS(=O)(=O)C(F)(F)F)c1ccc(F)cc1O 2232496416 HAIGPLHJHIEKGT-SSDOTTSWSA-N 315.288 2.117 10 10 DECE COc1cc(N2CC3(CCC4(CC3)OCCO4)C2)ccc1CN 2234438933 UOVFUNLPDWPQBO-UHFFFAOYSA-N 318.417 2.277 10 10 DECE Cc1ccc(O)c([C@@H](C)NCCCS(=O)(=O)C(F)F)c1 2237644083 NLHCZSLCKIYOAU-SNVBAGLBSA-N 307.362 2.379 10 10 DECE CC[C@H](C)NCc1cnc(Sc2nc(O)cc(O)n2)s1 2239995272 GEODKKWVUZAWPO-ZETCQYMHSA-N 312.420 2.384 10 10 DECE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])C[C@H]2CCC[C@H]21 2244998603 DPMANGNRVQBOMG-UEKVPHQBSA-N 323.397 2.496 10 10 DECE COc1ccc2occ(C=C3SC(=S)NC3=O)c(=O)c2c1 2296212907 MARNBCQUAIVYLB-UHFFFAOYSA-N 319.363 2.290 10 10 DECE CCCCN1C(=O)C(=CC=Cc2ccco2)C(=O)NC1=S 2297057223 SULBKQYHOFOKGZ-UHFFFAOYSA-N 304.371 2.263 10 10 DECE CCNC(=O)CN(C)Cc1ccc(C)c(Br)c1O 2327566330 BKCABZONWXXQBJ-UHFFFAOYSA-N 315.211 2.031 10 10 DECE Cc1ccc(CN2CC(CC(=N)N)C2)c(O)c1Br 2327793007 QKBJSVNTQRRUAM-UHFFFAOYSA-N 312.211 2.221 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NCCc1nc(C)no1 66702652 XPCDAWYGEOUVCG-UHFFFAOYSA-N 318.377 2.248 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCc3ccccc3C2)cc1 21811548 BKXLBYDLSZSHGJ-UHFFFAOYSA-N 302.399 2.157 10 10 DECE CN1CCc2cc(CN[C@H]3CCCN(c4cccnn4)C3)ccc21 122300226 MBNOPHWIGFEZMX-KRWDZBQOSA-N 323.444 2.228 10 10 DECE C[C@H](NCC1(CO)CCC1)c1ccc(N2CCOCC2)cc1 184517633 MMXJWRVVNFWXNA-HNNXBMFYSA-N 304.434 2.336 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2CC[C@H]1O2 247643638 ORFOKNDNLSIXPK-BRWVUGGUSA-N 315.417 2.406 10 10 DECE Oc1ccccc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 271253496 FYRTXVAFHWJECR-HOCLYGCPSA-N 303.358 2.310 10 10 DECE Cc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)c(Cl)n1 288315587 USIHXJTZVYDGNO-UHFFFAOYSA-N 320.776 2.356 10 10 DECE COC(=O)c1cncnc1NCc1ccc2c(c1)CCCN2C 804392327 MCYYROMUVKWMQR-UHFFFAOYSA-N 312.373 2.258 10 10 DECE CN(CC(=O)Nc1ccc(N)cc1)Cc1cc(Cl)ns1 2167216706 VYULGBPLCQRULH-UHFFFAOYSA-N 310.810 2.449 10 10 DECE C[C@@H](N[C@H]1CCCCNC1)c1ccc(N2CCOCC2)c(F)c1 817984464 TWAHGSOEIXVVFO-ZBFHGGJFSA-N 321.440 2.455 10 10 DECE CC[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cccc(Cl)c1O 818362305 UUGYTOVRYNCMTD-VXGBXAGGSA-N 310.781 2.234 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC12CC2 817543849 XJOXYLRICGJPRS-AWEZNQCLSA-N 318.392 2.203 10 10 DECE COc1ccc(O)c(CNCc2ccc(CNC(C)=O)cc2)c1 826821701 BIHKIBQYLXGZTH-UHFFFAOYSA-N 314.385 2.327 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1cccc(C)c1O)C2 822534848 YQRJGUVCFHJJSY-CFVMTHIKSA-N 304.390 2.410 10 10 DECE Cc1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)ccc1N(C)C 832463257 VUXXXWDBXKOWLM-IRXDYDNUSA-N 322.474 2.213 10 10 DECE CC(C)N1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O 835039620 HXIZABWGQFJSAW-JFDDCEBESA-N 301.434 2.365 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@H]1COC[C@H]1c1ccccc1 830558815 CMIXAIWLAIRAEY-GJZGRUSLSA-N 313.353 2.144 10 10 DECE COc1cccc([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1O 846166592 AKTKLZRICIYFJL-SLEUVZQESA-N 311.422 2.209 10 10 DECE C[C@@]1(CCF)NC(=O)N(CCCSc2nccs2)C1=O 849356328 RTGDFARBHDZITO-LBPRGKRZSA-N 317.411 2.295 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](C)O 840480368 WETSHUSIHGXQHW-ZIAGYGMSSA-N 307.438 2.062 10 10 DECE COc1ccc(N2CCC(NCC[C@@H]3CCNC3)CC2)cc1 841034544 CCLZUDQNZBYQDR-HNNXBMFYSA-N 303.450 2.253 10 10 DECE O=C(c1cc(O)cs1)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 927228870 TWVZAQBGUXULFF-DYVFJYSZSA-N 315.394 2.494 10 10 DECE CN(C)c1ccc(CN[C@H]2C[C@H](C(N)=O)C2)c(C(F)(F)F)c1 858246855 IKYCZEAZUXOVOR-XYPYZODXSA-N 315.339 2.125 10 10 DECE COc1ccc(N2CC[C@@H](NCc3nc(C)ccc3O)C2)cc1 850345660 HHLFXLCYXAEPIJ-CQSZACIVSA-N 313.401 2.473 10 10 DECE OC[C@]12CCC[C@H]1N(Cc1ccc(N3CCOCC3)cc1)CC2 931747773 VOHQLETYAPORMD-RTBURBONSA-N 316.445 2.260 10 10 DECE CN1CCCc2cc(CNC(=O)c3cncc(C=O)c3)ccc21 931151973 BGXRFKOJPOOZFD-UHFFFAOYSA-N 309.369 2.207 10 10 DECE COc1cc2c(c(OC)c1)N(CCO[C@@H]1CCOC1)CCC2 930723499 YNQXQQDJRCFNSK-CQSZACIVSA-N 307.390 2.262 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccoc2)[nH]n1 762264429 XHADLXAELMPQJX-UHFFFAOYSA-N 313.313 2.053 10 10 DECE CCn1cc(CCOc2ccc(N(C)C)c(C(=O)OC)c2)cn1 871793320 LEQHKWMJXYPGKA-UHFFFAOYSA-N 317.389 2.377 10 10 DECE COCCCCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 773083889 KPCYZCDNMPAFFP-CYBMUJFWSA-N 314.451 2.160 10 10 DECE COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1cccc(O)c1O 882216529 BPTSTTYRQBDDPP-UHFFFAOYSA-N 323.389 2.395 10 10 DECE O=C(NCc1ccccc1O)NC[C@]12C[C@H]1COC21CCC1 892527860 ZHXVMVNYLQMACF-XJKSGUPXSA-N 302.374 2.151 10 10 DECE C[C@@H]1CN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)[C@@H]1C 706801800 LUMKEAKBDAIKRY-QHMRUWFYSA-N 311.179 2.279 10 10 DECE O=C(NCc1ccccc1O)NC1CC(N2CCCCC2)C1 792953194 OIUFKVGOIVWYBO-UHFFFAOYSA-N 303.406 2.208 10 10 DECE COC(=O)/C=C/c1ccc(C(=O)N(C)Cc2ccccc2O)o1 1149871508 FOWNWXBRPCKWRK-CSKARUKUSA-N 315.325 2.444 10 10 DECE COc1cc(N(C)Cc2ccnc(C)n2)cc(OC)c1OC 796441716 CTKYDVILSDFGDX-UHFFFAOYSA-N 303.362 2.447 10 10 DECE Cn1ncc(Br)c1C(=O)NCCCCN=[N+]=[N-] 693500147 FKADAOOYWUPNRG-UHFFFAOYSA-N 301.148 2.003 10 10 DECE CCN[C@@H](C)c1ccc(N(C)CCS(C)(=O)=O)c(Cl)c1 94298828 SMMIETZRVUYTTN-NSHDSACASA-N 318.870 2.491 10 10 DECE O=C(/C=C/c1ccnc(Cl)c1)NCc1cc(O)ccc1O 1303225169 AHRFMPLWOFQSRX-DAFODLJHSA-N 304.733 2.476 10 10 DECE CCn1nc(C2CC2)cc1C(=O)NCc1cccc(O)c1O 1347233655 JBLSAANEECCFQB-UHFFFAOYSA-N 301.346 2.122 10 10 DECE CC(=O)c1cn(C2CN(Cc3cc(C(C)C)ccc3O)C2)nn1 1462660059 NMAWQTQUHIIBNG-UHFFFAOYSA-N 314.389 2.367 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1COC[C@@H]1c1ccccc1 1471662008 KKVNYCRMVGGUEK-HZPDHXFCSA-N 313.353 2.144 10 10 DECE C[C@@H](NC(=O)c1cc(F)cnc1O)c1ccc(N(C)C)cc1 1633315206 HWMJHVLSSCBZBB-SNVBAGLBSA-N 303.337 2.483 10 10 DECE COc1ccc(CNC[C@H](C)N(C)C(=O)c2ccon2)cc1C 1698817659 XNXFQRNTCKJDCN-ZDUSSCGKSA-N 317.389 2.242 10 10 DECE CN(C)c1ccc2[nH]c(C(=O)Nc3ccc(N)cc3)cc(=O)c2c1 1866504168 IIHNUFQYHZYFAY-UHFFFAOYSA-N 322.368 2.429 10 10 DECE CCOC(=O)CN1C[C@H]2CC[C@H]1C[C@H]2Oc1ccc(N)cc1 259405314 CGFSKDFVXARBSC-IVMMDQJWSA-N 304.390 2.064 10 10 DECE CO[C@@H]1CN(c2ccc(CN)cc2Br)C[C@H]1F 1942640118 XXGIGDZNDYFNRM-ZYHUDNBSSA-N 303.175 2.081 10 10 DECE CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)NCc1ccccc1O 1963713993 CVAFUJQQWIWXKN-QGZVFWFLSA-N 320.389 2.408 10 10 DECE CON(CC(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C 1989689992 LYAMIYULLOFFEZ-LLVKDONJSA-N 324.377 2.368 10 10 DECE Oc1cccc(Br)c1CN1CCC[C@H]2NCC[C@H]21 2027167113 LLDDYWPMNSDXRR-CHWSQXEVSA-N 311.223 2.481 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 2164678044 PCFLSGDLFJOXOY-LPEHRKFASA-N 308.354 2.382 10 10 DECE C[C@@H](C(=O)Nc1ccc(O)c(O)c1)N1CCc2ccccc2C1 2064303386 PSQUGDIGLRSBIY-LBPRGKRZSA-N 312.369 2.483 10 10 DECE C[C@@H](c1ccc(F)cc1O)n1ncc(S(C)(=O)=O)c1Cl 2070241775 XOLVNXZULVUABU-ZETCQYMHSA-N 318.757 2.394 10 10 DECE CC(C)[C@H](O)CN(C)c1cc(Br)c(CN)cc1F 2048670455 HZXZRZUUMUCGOC-CYBMUJFWSA-N 319.218 2.500 10 10 DECE COc1cc(Cl)cc(CN[C@@H]([C@@H](C)O)C(F)(F)F)c1O 2195322639 QTHQBDFIXGAODL-KBUNVGBDSA-N 313.703 2.456 10 10 DECE CC[C@@]12C[C@H]1C(=O)N(c1ccc(N)c(Br)c1)C2=O 2069042302 DBPOKWMQSFUADQ-ISVAXAHUSA-N 309.163 2.321 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNCC[C@H]1COC[C@H]1O 2111336520 PCXKFKKXDJJEKA-QPUJVOFHSA-N 306.189 2.186 10 10 DECE CS(=O)(=O)c1ccc([C@H](N)CSc2nccs2)cc1 2112941936 FHVASSICKCDZFO-LLVKDONJSA-N 314.457 2.339 10 10 DECE CCC[C@](C)(NC(=O)NCc1cnc(SC)s1)C(=O)O 2284505048 RLPRTGXDNCDKMB-LBPRGKRZSA-N 317.436 2.308 10 10 DECE COc1cc(OC)cc(N(C)C(=O)/C=C\c2cnn(C)c2C)c1 492036270 YSJUHDPANDEQMB-SREVYHEPSA-N 315.373 2.422 10 10 DECE CON(Cc1ccc(C)c(Br)c1O)[C@@H]1CCNC1 2327796983 PXBNRFXQHKLAAQ-LLVKDONJSA-N 315.211 2.188 10 10 DECE COc1cccc(CNC(=O)N[C@H](C)c2nccs2)c1O 174772778 HJBQMTILGJVSNV-SECBINFHSA-N 307.375 2.418 10 10 DECE COc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(OC)c1 36283879 ZYSGLYAKTICOMQ-UHFFFAOYSA-N 308.359 2.087 10 10 DECE C[C@@H](NS(=O)(=O)c1cnccc1Cl)c1ccccc1O 1192913729 YHLGWKBXEMXLMF-SECBINFHSA-N 312.778 2.480 10 10 DECE CN(C)c1ccc(CNC(=O)NCC2(CCO)CCC2)cc1 134364536 AKUPQCGDHXCYOT-UHFFFAOYSA-N 305.422 2.105 10 10 DECE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1 40327681 JBERXZOYFLFTFT-CYBMUJFWSA-N 304.415 2.492 10 10 DECE Cc1cc(C(=O)NCC(F)(F)CN)c(C)n1-c1ccccc1 190222379 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Nc1ccc(COc2ncc(Br)c(C(=O)O)n2)cc1 2128174849 JSBCCBKPQRHWQF-UHFFFAOYSA-N 324.134 2.099 10 10 DECE Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccn1 1455038033 WNGCEZBJBLVAIV-UHFFFAOYSA-N 320.352 2.437 10 10 DECE Cc1ccc(NCCNC(=O)/C=C/c2ccc(O)c(O)c2)nc1 1456124810 BSIHWWJIXYXFFL-QPJJXVBHSA-N 313.357 2.043 10 10 DECE CS(=O)(=O)c1cc(NC(=O)c2cc(O)cs2)ccc1F 1468060878 QYLVQTJNQKRLPY-UHFFFAOYSA-N 315.347 2.249 10 10 DECE O=C1CC[C@@H](C(=O)NCc2ccc(O)cc2O)c2ccccc21 1469159773 NKALJRZZEWGWNH-OAHLLOKOSA-N 311.337 2.474 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NOCCOc1ccccc1 1607205509 WFZYANLUOKRDDM-CLFYSBASSA-N 315.325 2.238 10 10 DECE C[C@H](O)c1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 1464538356 BSODDFSXPVEBBK-VIFPVBQESA-N 323.393 2.332 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@H]1CCOc2c(F)cccc21 1545639592 VJIUGELAXWADJZ-LBPRGKRZSA-N 317.316 2.419 10 10 DECE COc1cc(F)c(C(=O)NCc2ccc(O)c(O)c2)c(F)c1 1545639600 VVTVCOKIMMGDOJ-UHFFFAOYSA-N 309.268 2.315 10 10 DECE Cc1cc(C(=O)NCc2ccccc2O)c(C)n1-c1ccn(C)n1 1545682105 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C[C@H]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CS1 709733127 ONKTWGYXYJJYQK-SMDDNHRTSA-N 314.476 2.315 10 10 DECE C[C@@H]1CC[C@@H](O)CN1c1cc(Br)c(CN)cc1F 399342983 UOFWPXSKILOPHS-PSASIEDQSA-N 317.202 2.397 10 10 DECE Cc1cn2c(n1)CC[C@H](C(=O)NCc1cc(Cl)ccc1O)C2 2063782998 UXJCMVAFEGNALQ-NSHDSACASA-N 319.792 2.429 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]3C3CCCC3)c2n1 2064115279 KJWIFXISFVDPBE-ZDUSSCGKSA-N 300.362 2.148 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2176911712 TXHORQAXEXAOPT-PQKREGAFSA-N 318.200 2.063 10 10 DECE COc1cc(N)c(N2CCSCC(F)(F)C2)cc1OC 2193344575 CIFGGIVGDODEBE-UHFFFAOYSA-N 304.362 2.475 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@@]3(CO)C2)c(Br)c1 2078143993 SOOXSRWMGDZSRV-FZMZJTMJSA-N 311.223 2.117 10 10 DECE COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])s1 2225800580 PTALHBDHKPUZEF-JGVFFNPUSA-N 302.381 2.266 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1nccnc1Cl 2270927815 VYYMIFOBPOIFCY-UHFFFAOYSA-N 320.157 2.290 10 10 DECE COC[C@H](C)COC(=O)C=Cc1ccc(N2CCOCC2)cc1 2309413052 DYWJHXLCIOXZIE-HNNXBMFYSA-N 319.401 2.362 10 10 DECE Cc1ccc(CNCCc2ncon2)c(O)c1Br 2327799154 QUPMNNVWMULFDZ-UHFFFAOYSA-N 312.167 2.178 10 10 DECE Cn1nccc1C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170914507 UJHLROCEZUCDNG-UHFFFAOYSA-N 316.361 2.414 10 10 DECE CC(=O)c1cc(F)cc(CN2C[C@H]3CCCN3C[C@@H]2C)c1O 175672777 YNMUBHRKNHGFAH-XHDPSFHLSA-N 306.381 2.402 10 10 DECE CC[C@@H](O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 123507250 AWLHJLAIRNBZFB-MRXNPFEDSA-N 314.429 2.434 10 10 DECE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 184276359 APSHTCFRDSICCV-SFHVURJKSA-N 321.417 2.387 10 10 DECE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)c(Cl)c2)[C@H]1CF 2366526686 BGVBCRJXSTUJMF-MJBXVCDLSA-N 303.761 2.020 10 10 DECE CN(C)c1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 92104553 RINNASHOIIUFRE-WBVHZDCISA-N 301.434 2.243 10 10 DECE CCOc1cccc(CN2CCN(CC(F)F)CC2)c1O 92586574 PZFWYDVEGZPHQA-UHFFFAOYSA-N 300.349 2.174 10 10 DECE CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C)c(O)c1O 248412840 KDRYKXBLCBDKOS-OLZOCXBDSA-N 304.390 2.105 10 10 DECE Cc1c(/C=C\C(=O)N2CCOc3cccc(F)c32)cnn1C 255898590 VSGUMYQLYUUWIT-SREVYHEPSA-N 301.321 2.306 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H]3CN(C)C[C@H]3C)C2)cc1 818221484 NHCWGNQDHZPLOD-RKVPGOIHSA-N 303.450 2.061 10 10 DECE CN1CCN(c2ccc(CN3CC4(CC(F)C4)C3)cc2)CC1 839140046 NDKCTNWOUGVLPI-UHFFFAOYSA-N 303.425 2.372 10 10 DECE C[C@@H]1OCC[C@@H]1N(C/C=C/c1ccc(N(C)C)cc1)CCO 835055681 XLVKTDFAUPHBKP-BWZQFPAASA-N 304.434 2.238 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 852412588 WKILMWDNILZGFJ-INIZCTEOSA-N 318.465 2.425 10 10 DECE Cc1cc(C)cc(CS(=O)(=O)NCc2ccc(O)cc2O)c1 867417054 LPEFTVQXAHWOQO-UHFFFAOYSA-N 321.398 2.334 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1cnc[nH]1 788265525 HVGDWDMLKNCLDH-UHFFFAOYSA-N 300.406 2.412 10 10 DECE CC[C@@H](c1cc(Br)ccc1O)N(CCN)OC 708854804 QWESXMKNSSPMPU-NSHDSACASA-N 303.200 2.428 10 10 DECE CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(O)c(O)c1 1135822575 VLCJVLLRSOQCHP-UHFFFAOYSA-N 306.749 2.347 10 10 DECE CC(C)(C)[C@@H](O)C[C@H](CO)NCc1c(O)ccc(Cl)c1F 790620221 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DECE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCCC1 1751882342 UBCBBCXOKBCLFQ-UHFFFAOYSA-N 316.405 2.234 10 10 DECE CC1([C@H](CO)NCc2c(O)cccc2Br)CC1 1945352565 CFFFNLLOKQLSJA-LBPRGKRZSA-N 300.196 2.405 10 10 DECE CN(CC1(Br)CC1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 1887894280 ZMIDYOQJWYRARK-GFCCVEGCSA-N 324.222 2.027 10 10 DECE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1ccc(O)cc1O 1951842241 GZHFBFOIZKTPFI-HNNXBMFYSA-N 311.334 2.312 10 10 DECE C[C@@](CO)(NCc1ccc(Br)cc1O)C(F)F 1998357462 RSYDYTGUBMDTGG-NSHDSACASA-N 310.138 2.260 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H]2COC[C@H]21 2027342834 MCJLYQCIKNDOIO-HLUHBDAQSA-N 316.170 2.418 10 10 DECE C[C@@H](O)c1ccc(N2CC3(CN(C)C3)C2)cc1Br 2034804616 KRGHLRDPXCHILN-SNVBAGLBSA-N 311.223 2.254 10 10 DECE CCNCc1ccc(N2CC3(COC3)C2)cc1Br 697098663 RPCWGNHEDYJRRP-UHFFFAOYSA-N 311.223 2.395 10 10 DECE C[C@H]1SCCC[C@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2197291628 LFVIMADPEPMSMY-BXUZGUMPSA-N 314.476 2.315 10 10 DECE C[C@]1(CCO)CCN1c1ccc(CN)c(Br)c1F 2084710694 WRNDCSKPBNTDRD-CYBMUJFWSA-N 317.202 2.398 10 10 DECE Cc1cc(Nc2nnc(=N)[nH]n2)ccc1NC(=O)OC(C)(C)C 2210650590 XCPAHRCBTXPSKG-UHFFFAOYSA-N 317.353 2.078 10 10 DECE CCOc1ccccc1C=C1SC(=S)N(CC(=O)O)C1=O 2293069331 CPKVKZNOKHWUPD-UHFFFAOYSA-N 323.395 2.371 10 10 DECE CN(C)c1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1 2294874439 CMGZYQXTPNWDMT-UHFFFAOYSA-N 322.455 2.336 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1nc(C(C)(F)F)cs1 2296095544 QNVNVKPDKWFOBY-ZETCQYMHSA-N 305.310 2.369 10 10 DECE Oc1cc(Br)ccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2O 2310048715 WSJIZPBFBFAPEV-XRRVDJEJSA-N 312.207 2.404 10 10 DECE CC(C)[C@@H](CO)N(C)c1cc(Br)c(CN)cc1F 2318786102 SBAQQKLZMVWDDV-CYBMUJFWSA-N 319.218 2.500 10 10 DECE Cc1ccc(CNC(=O)[C@H](C)[C@H](C)N)c(O)c1Br 2327584964 DZNOEUBMQMWMLH-BDAKNGLRSA-N 315.211 2.063 10 10 DECE C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1 1952784840 ULEPAPWVTPLCNV-JQWIXIFHSA-N 310.394 2.128 10 10 DECE O=C(NCc1cccc(O)c1O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 1352658670 XINNSAHSPGKJGE-BFSVRSTQSA-N 311.381 2.108 10 10 DECE COC(=O)[C@](C)(N)c1ccc(OCc2ccccc2)cc1O 309846459 YKVSPEXEWQQNJP-QGZVFWFLSA-N 301.342 2.318 10 10 DECE CN(Cc1ccc(Cl)cc1O)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361675574 BSENYKOHJJNSAB-QWHCGFSZSA-N 317.838 2.443 10 10 DECE CNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2O)cc1 37131631 LJEKHWRXKUSWOI-LLVKDONJSA-N 306.387 2.473 10 10 DECE CNc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 125993208 RDEHAIRDEASJDI-UHFFFAOYSA-N 308.382 2.320 10 10 DECE O=C(c1cnc(Cl)s1)N1CCc2cc(O)c(O)cc2C1 2366900044 MGVFQJRWRROFFC-UHFFFAOYSA-N 310.762 2.406 10 10 DECE COC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 93337668 XPBOCDQJBNDBEG-KRWDZBQOSA-N 304.434 2.382 10 10 DECE Oc1ccc(Br)cc1CN1CCN2CCC[C@H]2C1 245856550 DRZUPTUILHQZRW-ZDUSSCGKSA-N 311.223 2.435 10 10 DECE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1ccc[nH]1 255029316 MAGURSGTIWSXBN-YVMONPNESA-N 311.385 2.181 10 10 DECE CCN(CC)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 295139082 POENEJPFLBHPQR-OALUTQOASA-N 317.477 2.438 10 10 DECE COCCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835026116 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Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1cnn(C)c1 784004333 COOBAWLPLLOCHZ-UHFFFAOYSA-N 314.433 2.389 10 10 DECE CN1C[C@H]2CN(c3ccc(CN)cc3Br)C[C@]2(C)C1 702279321 VZOLUODYTCSELT-WFASDCNBSA-N 324.266 2.296 10 10 DECE CN(C(=O)c1cn(C)c(Br)n1)c1ccc(N)cc1 698397582 JRIVSCQXYRZIOV-UHFFFAOYSA-N 309.167 2.041 10 10 DECE CC(C)(C)OC(=O)NCCCOCCNCc1ccccc1O 698695724 IVDHKCNQYCGJFI-UHFFFAOYSA-N 324.421 2.413 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ccncc2)C1 1140266261 WEIHCSGDVPCQFG-HNNXBMFYSA-N 312.369 2.442 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@](F)(CO)C2)c(Br)c1 1917127360 CRILGJRRYMNXGC-NOZJJQNGSA-N 318.186 2.413 10 10 DECE CNc1ncccc1C(=O)NCc1ccc2cccnc2c1O 1162612988 TZHZNONRZYATLU-UHFFFAOYSA-N 308.341 2.307 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3cccnc3C2)c1 1263768722 CVNHELCTHXBZCQ-AAEUAGOBSA-N 312.369 2.388 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(CF)CCC1 1351099137 JOWVIUPBJIKGDL-UHFFFAOYSA-N 320.408 2.404 10 10 DECE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)COC(C)C)cc1C 1505570866 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PDHSAQOQVUXZGQ-HOTGVXAUSA-N 304.298 2.200 10 10 DECE biogenic CC(C)(C)OC(=O)Nc1cccc([C@H]2NCC[C@@H]2C(=O)O)c1O 1953013355 XXOSUGSOCXGSMD-CMPLNLGQSA-N 322.361 2.474 10 10 DECE CCOC(=O)[C@@H]1C[C@]1(N)c1cc(Br)cc(F)c1O 1952829448 LGUXAQQXXREKRF-UFBFGSQYSA-N 318.142 2.031 10 10 DECE COc1c(I)cc(O)c2c1CCC[C@H]2N 238417308 YWOMKXYYQCHDEQ-MRVPVSSYSA-N 319.142 2.342 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1O 249552496 LGJCYHMTJXCSIN-WPVILRMTSA-N 324.764 2.155 10 10 DECE COc1cc(N(C)CCn2ccnc2C)cc(OC)c1OC 270850131 HUAQTGJTLVFISR-UHFFFAOYSA-N 305.378 2.354 10 10 DECE COc1cc(N2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC 275970000 HHGLSXSRDYGXOG-MEBBXXQBSA-N 310.350 2.473 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCCC2CC(OC)C2)c1O 826796256 HGIKZOGNHJXYGY-UHFFFAOYSA-N 310.350 2.214 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F 844988296 FNPMDIGJNKBUBG-OKILXGFUSA-N 309.360 2.468 10 10 DECE COC(=O)[C@H]1CSCCN(Cc2ccc(N(C)C)cc2C)C1 840975979 BZINCAOWEGOBEO-OAHLLOKOSA-N 322.474 2.399 10 10 DECE Cc1cc(N(C)C)ccc1CNCCC1CCS(=O)(=O)CC1 840937005 QKTLRDFBVRNZDN-UHFFFAOYSA-N 324.490 2.366 10 10 DECE O=C1C[C@H](CCNCc2ccc(N3CCCCC3)cc2)CN1 922784761 NBXRYSLMRRDNKJ-INIZCTEOSA-N 301.434 2.293 10 10 DECE C[C@@H]1C[C@H](NCCCc2ncn(C)n2)c2c(O)ccc(F)c21 842899977 CVIROGVPNHHPML-PWSUYJOCSA-N 304.369 2.431 10 10 DECE CC(C)N(CCc1cn(C)nn1)Cc1ccc(N(C)C)cc1 859082188 QJFMNNOQVWDHJS-UHFFFAOYSA-N 301.438 2.334 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cccnc3C)C2)cc1 855231713 NMHIPYWVQGQLNK-AWEZNQCLSA-N 311.385 2.407 10 10 DECE C[C@@H](N[C@H]1CCNC1=O)c1ccc(N2CCCCC2)c(F)c1 850483081 WOZZTSYBELHYGR-DOMZBBRYSA-N 305.397 2.355 10 10 DECE O=S1(=O)[C@H]2CC[C@H]1CC(N[C@@H]1CCc3cccc(O)c31)C2 927040896 ZYZYTZBZMVVTNH-MELADBBJSA-N 307.415 2.077 10 10 DECE COc1ccc(N2CC[C@@H](NCc3c(Cl)cnn3C)C2)cc1 850346715 INSLVSTZQIHNDQ-GFCCVEGCSA-N 320.824 2.451 10 10 DECE CN1CCC(CC(=O)NCc2ccc3cccnc3c2O)CC1 862027009 GTVWJEPTYWZXCN-UHFFFAOYSA-N 313.401 2.289 10 10 DECE COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 863306449 POBHKLCGLXVKII-PXAZEXFGSA-N 319.401 2.033 10 10 DECE CC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CCCCC1 871200812 JFYPUOYLWJZACG-UHFFFAOYSA-N 302.374 2.073 10 10 DECE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Cl)c1O 895861601 FKFPCQWVIBVWKG-AAEUAGOBSA-N 313.781 2.246 10 10 DECE C[C@@H](O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 898787722 FMWUBGHHKSABMS-PSASIEDQSA-N 307.371 2.298 10 10 DECE Cc1cccc(O)c1CN[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 1898127444 BQKUKSJDMMTYSQ-ZIAGYGMSSA-N 322.405 2.082 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)c1n[nH]cc1[N+](=O)[O-] 1179033092 TZRJKDAUYCQSNE-UHFFFAOYSA-N 312.285 2.107 10 10 DECE CO[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCSC1 1178394678 OXZMZULAFMCMBO-CQSZACIVSA-N 322.390 2.101 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@@H]2CNC[C@H]2C1 691489914 YXFGHPUXOFSCCH-PWSUYJOCSA-N 311.223 2.196 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2[nH]ncc2c1 1465409500 XOYQILVDQHNSDE-UHFFFAOYSA-N 323.356 2.063 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2ccc(CO)nc2)cc1 1464301781 TWYKHFTXHFZEIA-UHFFFAOYSA-N 313.401 2.350 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccnc1OCC(F)F 1623280753 FYVMUVSGRGEIJY-UHFFFAOYSA-N 324.283 2.318 10 10 DECE COc1ccc(CNC/C=C/CNC(=O)c2cocn2)cc1C 1716272479 ISTKUWDGFFXUNE-ONEGZZNKSA-N 315.373 2.067 10 10 DECE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cc(O)ccc1O 1633595106 IPBHWVBIYLMDOQ-SECBINFHSA-N 323.295 2.460 10 10 DECE Cc1nn(C)c(C(=O)Nc2ccc(N)cc2)c1Br 1964668606 WUUYDMQKWLDVPT-UHFFFAOYSA-N 309.167 2.326 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cncc(Br)c1 166215059 GQXJFQMATOIOHM-VIFPVBQESA-N 314.143 2.260 10 10 DECE CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)NC1=S 4458253 JWTLHXXDAQOPIO-SDNWHVSQSA-N 301.415 2.364 10 10 DECE CC(=O)NCCN1C(=O)/C(=C\c2ccccc2)SC1=S 1858586894 KARSYLRYBWFGKD-FMIVXFBMSA-N 306.412 2.024 10 10 DECE COc1cc(NN=NC[C@@H](C)NC(C)=O)cc(OC)c1OC 1860493763 BQICYMLYRHCSDA-SECBINFHSA-N 310.354 2.016 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)c1cncc(Cl)c1 2131289317 FGIFPLPBYJDQDK-SECBINFHSA-N 301.759 2.198 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O 1967768330 WSJIZPBFBFAPEV-YGNMPJRFSA-N 312.207 2.404 10 10 DECE CC(C)(C)OC(=O)NC1CC(NCc2cccc(O)c2O)C1 227581728 ORAUVDQHNRJOCU-UHFFFAOYSA-N 308.378 2.243 10 10 DECE COC[C@@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1929906521 HJNZPJWCUVZRCO-YPMHNXCESA-N 310.394 2.322 10 10 DECE CCN[C@@H](C)c1ccc(N(CCO)CCOC)cc1Cl 164364465 ACKQIGSORMOHBK-LBPRGKRZSA-N 300.830 2.456 10 10 DECE Oc1c(F)cc(Br)cc1CN1CCCC12CNC2 2034690074 GRDMTCZPNZODQV-UHFFFAOYSA-N 315.186 2.232 10 10 DECE CCOc1cccc(C=C2SC(=S)N(CC(=O)O)C2=O)c1 2041765242 PDSOOZJVHBSURE-UHFFFAOYSA-N 323.395 2.371 10 10 DECE Cn1cncc1CCNCc1cccc(Br)c1O 401781335 WLPZKJZLIJJKCN-UHFFFAOYSA-N 310.195 2.221 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CNC)cc1Cl 2170532591 HFNCRKCCGWTXJH-LLVKDONJSA-N 318.870 2.319 10 10 DECE N[C@H]1CC=C(C(=O)N2CCc3cccc(Br)c32)C1 713320818 PRDMLPUCQRVISK-NSHDSACASA-N 307.191 2.386 10 10 DECE C[C@@H]([C@@H](C)N(C)c1cc(Cl)c(CN)cc1F)S(C)(=O)=O 2177381659 PPGSJAVDWZKJMD-BDAKNGLRSA-N 322.833 2.196 10 10 DECE O=[N+]([O-])c1cc(N2CCSCC(F)(F)C2)ccc1CO 2193330529 BJKUCOZUZFMMLA-UHFFFAOYSA-N 304.318 2.276 10 10 DECE CCC[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 2186376184 PQYRRTFLPRXBMH-LBPRGKRZSA-N 300.424 2.003 10 10 DECE CC[C@]12C[C@H]1C(=O)N(c1ccc(N)cc1Br)C2=O 2069049260 UUUJNLILZHNQAN-SDBXPKJASA-N 309.163 2.321 10 10 DECE CNCc1ccc(N(C)[C@H]2CN3CC[C@H]2C3)c(Br)c1 2102505264 SFFCCNDREUASEW-WFASDCNBSA-N 324.266 2.309 10 10 DECE COc1cc(OC)c(N2CC(O)(C(F)(F)F)C2)cc1Cl 2285920409 SEXBVZHBCRGWOC-UHFFFAOYSA-N 311.687 2.471 10 10 DECE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCCCC(=O)O 2297512562 SXPLLAGPEVTYSN-UHFFFAOYSA-N 301.346 2.056 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(Br)c1 2325337839 MTRIWAAKVRLVKM-BPNCWPANSA-N 311.223 2.257 10 10 DECE Cc1ccc(CNC[C@H]2[C@@H]3COC[C@H]23)c(O)c1Br 2327611227 AWFKDMLSHRBCAN-CNDDSTCGSA-N 312.207 2.445 10 10 DECE Cc1noc([C@@H](C)N2CCN(Cc3cccc(C)c3O)CC2)n1 180100795 PPNQMVXCRDZTMQ-CYBMUJFWSA-N 316.405 2.271 10 10 DECE COc1ccc(CN2CCN(c3cccc(O)c3)CC2)c(O)c1 121660455 MOFJKHNOQRVQDL-UHFFFAOYSA-N 314.385 2.429 10 10 DECE O=[N+]([O-])c1ccc(Cl)c(O)c1[C@@H](CF)N1CCOCC1 575303234 BBBUMPREFOGPTK-SNVBAGLBSA-N 304.705 2.297 10 10 DECE COc1cc(Cl)cc(CN[C@H]2C[C@H](C)n3ncnc32)c1O 826888857 NITMJQHXBVJSRC-KWQFWETISA-N 308.769 2.441 10 10 DECE CN1CCCc2cc(CNC(=O)C(C)(C)n3cccn3)ccc21 824676238 GSRSBDUTZANEJH-UHFFFAOYSA-N 312.417 2.317 10 10 DECE CC(C)C[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588404870 XLTZZQPMWZWWNI-KXQLTZBTSA-N 305.374 2.385 10 10 DECE COC(=O)C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835027177 CTZSYCOGTACCGB-VGOKWCNXSA-N 318.417 2.030 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC(C)(O)C1 839921302 CCMTZTXGCSGGNJ-UQHVZDHRSA-N 304.434 2.269 10 10 DECE CC(C)N1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O 835039622 HXIZABWGQFJSAW-OGZRUICASA-N 301.434 2.365 10 10 DECE CN(C)C1(CNC(=O)NCc2c(O)cccc2F)CCCC1 913874343 FBPJWVKGGYXXEJ-UHFFFAOYSA-N 309.385 2.205 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C1CCOCC1)C1CC1 846421011 QMTHFNWEMBXZQN-OWIVYFSNSA-N 317.385 2.432 10 10 DECE COc1cc(Cl)cc(CN[C@@H]2CNCCC2(F)F)c1O 841075616 SXKRWTOVNDMQNP-LLVKDONJSA-N 306.740 2.141 10 10 DECE CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1n1cccn1 841298414 CUSJMTZXDPHDHU-ZNMIVQPWSA-N 315.377 2.006 10 10 DECE CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O 846472410 JWGPTEHKLTUMOF-ZDUSSCGKSA-N 324.808 2.309 10 10 DECE COc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)c1O 844910001 FXIVSAOUCPCGAH-INMHGKMJSA-N 320.433 2.262 10 10 DECE C[C@@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1C 921447742 RJGRRIFVPZRPQW-MNOVXSKESA-N 314.480 2.017 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 853736909 SSVMNACZEVYXPT-ZDUSSCGKSA-N 321.421 2.073 10 10 DECE CC1(C)OC[C@@H]2C[C@]21NCc1ccc(N2CCOCC2)c(F)c1 858230119 OYQYCKSGAZHAKP-KSSFIOAISA-N 320.408 2.319 10 10 DECE COc1ccc(N2CC[C@H](NCc3cnc4n3CCC4)C2)cc1 850346933 LJIGGGJYCLLITH-AWEZNQCLSA-N 312.417 2.206 10 10 DECE COCC1(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 855223185 GAPFGXIQGHBASY-CQSZACIVSA-N 318.417 2.207 10 10 DECE CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868190126 HXRMRUXIIUYLCL-WOPDTQHZSA-N 307.394 2.056 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2c[nH]nc2C1 862027410 RDYSAQDLVOXSOX-GFCCVEGCSA-N 322.368 2.085 10 10 DECE C[C@@H](Cc1ccc(O)cc1)N1Cc2c(O)cc(O)cc2[C@@H](O)C1 888085111 UKGGVIFYDPDSAG-VOJFVSQTSA-N 315.369 2.284 10 10 DECE C[C@@H](CNCc1c(O)cccc1Br)[S@@](C)=O 706880717 GXZPQBYJPQEKOW-ZKANADHPSA-N 306.225 2.011 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1ccn(CC(F)F)n1 1180410441 QBQMZYDDRNTAPV-UHFFFAOYSA-N 315.707 2.437 10 10 DECE CCOc1ccc(N2CCN(CC3(C(=O)OC)CC3)CC2)cc1 1344125274 RNWJWYWWYTZETK-UHFFFAOYSA-N 318.417 2.161 10 10 DECE COc1cc(N2CCC[C@@H]2c2ncon2)c([N+](=O)[O-])cc1OC 1458160628 FPDJEBQCMYQPSS-SECBINFHSA-N 320.305 2.337 10 10 DECE O=C(CSCc1cccnc1)NCc1c(O)cccc1O 1645360839 LONZMVGNRJZIJN-UHFFFAOYSA-N 304.371 2.042 10 10 DECE COC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1666865229 RALPNCUKWSQCGD-LSDHHAIUSA-N 322.449 2.223 10 10 DECE NC(=O)c1ccc(/N=N/N2CCN(c3ccccn3)CC2)cc1 1860480799 FCDAAOXRFZESPW-FMQUCBEESA-N 310.361 2.001 10 10 DECE O=C(CCN1C(=O)CSC1=S)Oc1ccc(F)cc1F 1865774541 NTJHPJRGXBSHMX-UHFFFAOYSA-N 317.338 2.121 10 10 DECE Oc1c(Br)cccc1CNCCN1C[C@H]2C[C@H]2C1 1967784496 KWGICWVIUMHXNX-TXEJJXNPSA-N 311.223 2.196 10 10 DECE Cc1cccc(CNCC2(NC(=O)OC(C)(C)C)COC2)c1O 1938386974 YLXMXPIDTGQSTD-UHFFFAOYSA-N 322.405 2.084 10 10 DECE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1977673183 WJDLGKZBGOTMLV-UHFFFAOYSA-N 321.421 2.231 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)NCCCCN=[N+]=[N-] 1985102160 CHXUWYQDQZIORM-QJPTWQEYSA-N 323.397 2.449 10 10 DECE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(N)c1ccc2c(c1)CCN2C 1985753465 RYLIPYSWWDIPNK-KZULUSFZSA-N 317.433 2.472 10 10 DECE CCOCC1CN(c2ccc(CO)cc2Br)C1 2001342758 LBKTVCVKHURFGG-UHFFFAOYSA-N 300.196 2.414 10 10 DECE CCNCc1ccc(N(C)C2CN(C)C2)c(Br)c1 2028805263 YAPBBDVLWGNKFK-UHFFFAOYSA-N 312.255 2.309 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1C(=O)O 691412058 CIAGDYZTWDWBJV-KWQFWETISA-N 314.179 2.307 10 10 DECE CCCS[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382987705 XVKHLYUNXKJHQA-CQSZACIVSA-N 314.476 2.316 10 10 DECE COc1ccc(CNC(=O)C2(c3ccc(O)cc3)CC2)c(O)c1 2063352043 YSCKQSRASKMOLJ-UHFFFAOYSA-N 313.353 2.454 10 10 DECE CN(C)c1ccc([C@@H](N)c2nn(C)cc2Br)cc1 2044707562 DZTLMKACGOZZPT-GFCCVEGCSA-N 309.211 2.297 10 10 DECE COC[C@@](C)(CNCc1c(O)cccc1Br)OC 2077514147 RLNHNISEUVPLLT-CYBMUJFWSA-N 318.211 2.296 10 10 DECE CCOC(=O)CCN(C)N=Nc1cc([N+](=O)[O-])ccc1OC 2330193375 KDMROJNBXPWRJD-UHFFFAOYSA-N 310.310 2.487 10 10 DECE Cn1cc(NC(=O)NCCCSc2nccs2)ccc1=O 172042391 CDMAOKMOLIZLHR-UHFFFAOYSA-N 324.431 2.146 10 10 DECE CN(Cc1cnccn1)C(=O)NCc1ccc(N2CC=CC2)cc1 172631444 DSKLHALTQCLDFL-UHFFFAOYSA-N 323.400 2.194 10 10 DECE COc1cc(N(C)Cc2cnccn2)c([N+](=O)[O-])cc1OC 91484172 BNNQTAHFJJGFKW-UHFFFAOYSA-N 304.306 2.038 10 10 DECE CCCOc1ccc(CN(C)C[C@H]2CCN(C(C)=O)C2)c(O)c1 92101382 YPRWUXKMDJFXLX-OAHLLOKOSA-N 320.433 2.481 10 10 DECE 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10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1985102386 GHXQXCITKRSHAT-NSHDSACASA-N 323.397 2.402 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)c(Br)c1 2030275913 UTBRGLRHVLSZEH-MIMYLULJSA-N 311.223 2.143 10 10 DECE CN1CCCc2cc([C@H](NN)[C@@H]3CSCCS3)ccc21 2163103415 UDQHJENRQSMLJJ-GJZGRUSLSA-N 309.504 2.422 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O 2176911709 TXHORQAXEXAOPT-DRGUQFHNSA-N 318.200 2.063 10 10 DECE CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Cl 2179919689 KPSVSRKQHFATAP-LLVKDONJSA-N 317.838 2.234 10 10 DECE C[C@H](c1ccccc1O)N(C)c1nc(Br)nn1C 2072466961 LVKYJVFRDFOULM-MRVPVSSYSA-N 311.183 2.481 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)[C@H]1C(=O)O 2081118022 IUNFZEYBMRXJMT-QUBYGPBYSA-N 318.142 2.199 10 10 DECE C[C@](O)(c1cncc(Br)c1)[C@H](N)c1ccccc1O 2091867418 MGKQTFBKEDHPEW-KGLIPLIRSA-N 323.190 2.457 10 10 DECE CSc1ncc(CNC[C@]2(N)[C@H]3CCO[C@H]3C2(C)C)s1 2284729491 PXGAFGSMACEDGI-WDMOLILDSA-N 313.492 2.097 10 10 DECE CSc1ncc(CN[C@H]2CCCO[C@]23CCOC3)s1 2269285242 PEAGBOWMEIGVEU-AAEUAGOBSA-N 300.449 2.293 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCC[C@@]2(C(=O)O)C3)s1 2284535699 BVFJOWBUZKAJBB-STQMWFEESA-N 312.416 2.126 10 10 DECE CN=c1[nH]c(C(C)C)cc(=NCc2cnc(SC)s2)[nH]1 2284717348 BPGPXGYTERJKLB-UHFFFAOYSA-N 309.464 2.276 10 10 DECE COc1ccc(N2CCN(C(=O)C=Cc3ccccn3)CC2)cc1 2324627286 WRTKGGPKBMUUEF-UHFFFAOYSA-N 323.396 2.452 10 10 DECE Cc1ccc(CN2C[C@H](O)C[C@@H]2C)c(O)c1Br 2307440441 YLVOEKDMAJMQNW-GXSJLCMTSA-N 300.196 2.418 10 10 DECE Cc1ccc(CN=[S@@](C)(=O)CCN)c(O)c1Br 2307481087 AURVETIHNRDYRG-KRWDZBQOSA-N 321.240 2.020 10 10 DECE O=C(O)[C@H]1[C@@H]2C[C@H]1N(Cc1ccc(Br)cc1O)C2 2311842225 NRGVRCUVNMXBQW-UISBYWKRSA-N 312.163 2.060 10 10 DECE CCN1CCc2cc([C@]3(O)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2354961623 VSFHREHDYLBKSF-XYJFISCASA-N 315.413 2.430 10 10 DECE CC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 3641545 HJWKHHJSEVMOKI-QGZVFWFLSA-N 324.384 2.370 10 10 DECE Cn1nccc1CCC(=O)NCc1ccc(N2CCCC2)cc1 185711360 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DECE COc1cnccc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 588550717 XHYWWIKEPOWJLI-QZPNVGJNSA-N 314.341 2.392 10 10 DECE Oc1cc2c(cc1CN1CCC(Cn3cnnc3)CC1)CCC2 844733608 PXJWXZMZGWCDFV-UHFFFAOYSA-N 312.417 2.385 10 10 DECE CCCCOCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855231084 JHSDXQPGOJQPAC-CQSZACIVSA-N 306.406 2.207 10 10 DECE CN(C)c1ccc([C@H](N)CN[C@@H]2CCNC23CCCC3)cc1 925693217 QBLGOQLCEZJYIL-IAGOWNOFSA-N 302.466 2.017 10 10 DECE CC(=O)c1cc(F)cc(CN2CC(=O)NC[C@@H]2C(C)(C)C)c1O 933825455 TTYVRYRYMOHCLB-CQSZACIVSA-N 322.380 2.080 10 10 DECE C[C@@H]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CN1 861620826 OFDBFJQQOIHROR-UMVBOHGHSA-N 304.438 2.253 10 10 DECE CN(C)c1cc(F)c(CN2CC[C@@](O)(C(F)F)C2)cc1F 862384380 XQNTZDAWDHYTFF-AWEZNQCLSA-N 306.303 2.233 10 10 DECE C[C@H](NC(=O)N[C@H]1CCN2CCCC[C@@H]12)c1ccccc1O 868209975 IUNVFMBDNIXPAU-QEJZJMRPSA-N 303.406 2.379 10 10 DECE COC(=O)c1cc(OCc2ccnc(C)n2)ccc1N(C)C 865395156 LGFSLFWQEYUNCC-UHFFFAOYSA-N 301.346 2.217 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2COC[C@@H]21 1877609404 AGFYYSWCYMFHIG-NWDGAFQWSA-N 304.173 2.299 10 10 DECE Cc1ccc(C(=O)Nc2nncn2-c2ccccc2)c(O)c1O 1142856542 BKQBVWQDGKCYJD-UHFFFAOYSA-N 310.313 2.239 10 10 DECE C[C@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1ccccc1O 1151892255 MILOBKXYPZYPJA-ZBEGNZNMSA-N 311.341 2.158 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(c2ccccc2)C1 1303226111 XDJWXFIVMMDXPT-CYBMUJFWSA-N 312.369 2.241 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCCN=[N+]=[N-])CCO1 1962287797 NEZICJJUNTVBAO-RYUDHWBXSA-N 313.402 2.301 10 10 DECE CN(CCCN=[N+]=[N-])C[C@H]1COCCN1C(=O)OC(C)(C)C 1962304078 KVUKMQJSUMSLLW-LBPRGKRZSA-N 313.402 2.255 10 10 DECE CN1CC[C@@H](N(C)c2cc(Br)c(CN)cc2F)C1 394063385 QZRZPUDOIOZIOE-SNVBAGLBSA-N 316.218 2.187 10 10 DECE CO[C@@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1320975728 RQTFWQJCUQEWEL-JKSUJKDBSA-N 321.440 2.235 10 10 DECE CSC[C@@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 706645390 LPJDXQJRCPDOEL-OQPBUACISA-N 311.838 2.481 10 10 DECE O=C1C[C@@H](C(=O)NCc2c(O)cccc2F)c2ccccc2N1 1178413022 KUWXXVVYQXXMFF-LLVKDONJSA-N 314.316 2.274 10 10 DECE CCS(=O)(=O)[C@H]1CSCCN1c1ccc([C@@H](C)N)cc1 90927232 VSDGNCVCNVLNDC-RISCZKNCSA-N 314.476 2.020 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCn1ccnc1C 1449128797 YLKQUFXVCWWPFA-UHFFFAOYSA-N 322.405 2.479 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1O 1466791770 ZIBOQBLRLDKCLY-SECBINFHSA-N 305.305 2.304 10 10 DECE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2cc(F)c(F)cc2O)C1 1621375509 ZUZHFVOPIGQESI-NORZTCDRSA-N 324.371 2.407 10 10 DECE CON(C)CCNC(=O)c1sccc1-n1c(C)ccc1C 1631599289 CDOHISQGORVYCS-UHFFFAOYSA-N 307.419 2.379 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nnc(C)o2)c1 1639086332 NNBOUEDOFOYZPU-RKDXNWHRSA-N 320.349 2.214 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1CC[C@H](S(C)(=O)=O)C1 2123315297 PEGBYGXXAODPTE-KOLCDFICSA-N 303.811 2.226 10 10 DECE CCS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 2123319061 DJHPSNJDDQSPKJ-LBPRGKRZSA-N 303.811 2.055 10 10 DECE N[C@@H](c1ccccc1O)[C@H](O)c1sncc1Br 1943688580 AFPZKBJOGGHVAQ-UWVGGRQHSA-N 315.192 2.345 10 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CCN(Cc1nn(C)nc1Br)c1ccc(CN)cc1 2226990521 FEXRSIAZWKATHH-UHFFFAOYSA-N 324.226 2.063 10 10 DECE Cc1c(Br)ccc(C(=O)N2CC(N=[N+]=[N-])C2)c1N 2258856184 MUCUJAZHJKGTFY-UHFFFAOYSA-N 310.155 2.474 10 10 DECE C[C@@]1(CNC(=O)C=Cc2ccc(O)c(O)c2)CCCC[C@H]1O 2307989771 ISMHUBPQFQLDKP-WBVHZDCISA-N 305.374 2.168 10 10 DECE CCOc1ncc(C=CC(=O)N2CCOc3ccccc32)cn1 2325351609 OIEOJTPHEBGSSC-UHFFFAOYSA-N 311.341 2.314 10 10 DECE Cc1nc(Br)c([C@H](O)Cc2ccc(N)cc2)n1C 2315522164 GJKZDRXKSWLJSS-LLVKDONJSA-N 310.195 2.349 10 10 DECE CN1CCc2cc([C@]3(N)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2329905928 DBUAXURJSMRKRN-YQQAZPJKSA-N 300.402 2.006 10 10 DECE C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCO1 69719949 GWNFIJVPTJZMME-CXAGYDPISA-N 317.433 2.436 10 10 DECE Nc1cc2c(cc1N1CCC=C(Br)C1)NC(=O)CO2 404401700 UEHXGOUKNSNWRK-UHFFFAOYSA-N 324.178 2.089 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(N)c1O 1953007931 LWQIXEGLHBGPHE-ZDUSSCGKSA-N 307.394 2.198 10 10 DECE CS(=O)(=O)Nc1ccccc1NCc1ccc(O)cc1O 37135148 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DECE OCc1ccc(N2C[C@H](O)CCC23CC3)c(Br)c1 2220278617 FMOCWAMOSQLZED-LLVKDONJSA-N 312.207 2.435 10 10 DECE CNCc1ccc(N2CC[C@]3(O)C[C@@H]3C2)cc1Br 2254096686 GDBPGCLTGWVFND-RISCZKNCSA-N 311.223 2.130 10 10 DECE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cc(F)c(F)cc1F 2294745845 ZLRJAEUVLNVHCU-UHFFFAOYSA-N 308.285 2.425 10 10 DECE CCc1cc(C(=O)NCc2cnc(SC)s2)cc(N)n1 2284718321 DHQOGOJWQBBREQ-UHFFFAOYSA-N 308.432 2.335 10 10 DECE COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1C 2297577696 QPXZENIUTUBWOT-UHFFFAOYSA-N 308.337 2.465 10 10 DECE O=C(NC[C@@H](O)c1ccc(O)c(O)c1)c1cccc2c1CCC2 2297724953 BZLNZMZFIOBFFW-QGZVFWFLSA-N 313.353 2.050 10 10 DECE Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]3CO)c(O)c1Br 2327632058 YJVRYTNYBDOXIT-WOPDTQHZSA-N 312.207 2.276 10 10 DECE COc1cc(N(C)CC(=O)NC2CCCC2)cc(OC)c1OC 125723939 CDUJGTNUZABKBY-UHFFFAOYSA-N 322.405 2.207 10 10 DECE COc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1OC 41379592 HPAGUOJWDPZBSA-UHFFFAOYSA-N 316.357 2.259 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(CCF)CCF)c(Cl)cc21 2365469609 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915525861 TZZHYXZDUMRNJE-GFCCVEGCSA-N 319.327 2.074 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N)[C@@H]2C)cc1F 841796132 NTGMTBDQPQMCPX-WFASDCNBSA-N 322.428 2.303 10 10 DECE Nc1ccc(NC(=O)C(=O)NCCC2(c3ccccc3)CC2)cc1 927838729 WBUHLOXZAIDURO-UHFFFAOYSA-N 323.396 2.445 10 10 DECE C[C@@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C 925328135 UXIMIKXSDFMSDM-WBMJQRKESA-N 317.433 2.163 10 10 DECE COc1ccc(O)c(CNC(=O)NCCC2CC(OC)C2)c1 853736837 QACJFASIIKTUFY-UHFFFAOYSA-N 308.378 2.015 10 10 DECE CCCCOCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855231083 JHSDXQPGOJQPAC-AWEZNQCLSA-N 306.406 2.207 10 10 DECE CC1(C)OC[C@H]2C[C@]21NCc1ccc(N2CCOCC2)cc1 858229356 UBDXMGRSVHBIID-QAPCUYQASA-N 302.418 2.180 10 10 DECE C[C@@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1O 862332184 GFIXLNKXONCKIR-SKDRFNHKSA-N 300.196 2.357 10 10 DECE Cc1cc(C(=O)N2C[C@@H]3C[C@@]3(O)C2)c(C)n1-c1ccc(F)cc1 882337665 YTZOLPYVBPCULL-SCLBCKFNSA-N 314.360 2.440 10 10 DECE COc1cccc(C[C@H](C)NC(=O)c2cccc(O)c2O)c1 790707869 QJAYVQAYHGMLOI-NSHDSACASA-N 301.342 2.467 10 10 DECE CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@]2(CCOC2)O1 794694286 MNUZPACNOBWNAB-YJBOKZPZSA-N 321.417 2.479 10 10 DECE COc1cccc(CCC(=O)NCc2cc(O)ccc2O)c1F 1303226069 VCVIPWGOEWRMRF-UHFFFAOYSA-N 319.332 2.495 10 10 DECE Cn1c(O)nc(NCc2cc(Cl)cc(Cl)c2O)cc1=O 1307132924 CJFIUSULZCRGEB-UHFFFAOYSA-N 316.144 2.110 10 10 DECE CN1CC[C@](C)(C(=O)NCc2c(O)ccc3ccccc23)C1=O 1179033571 YSGODXJWXLBLKD-GOSISDBHSA-N 312.369 2.030 10 10 DECE C[C@H]1CN(C)CCN(c2ccc(CN)cc2Br)C1 707115399 OJTXRZXAOPBFAO-NSHDSACASA-N 312.255 2.296 10 10 DECE O=C(NCCn1cc(-c2ccccc2)nn1)c1cc(O)cs1 1181348106 GVYCBEXIJFZUEN-UHFFFAOYSA-N 314.370 2.142 10 10 DECE O=S1(=O)CCC[C@@H]1CCNCc1cc(Cl)ccc1O 714334787 LHKOZBLAVIBEFX-GFCCVEGCSA-N 303.811 2.103 10 10 DECE C[C@@H](O)c1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694161499 TWYPWRGKXPRTTK-SNVBAGLBSA-N 305.827 2.264 10 10 DECE CN(Cc1c(O)cccc1Cl)C[C@@H]1CCCCS1(=O)=O 694410972 ZEMNIIVOFDAJGB-NSHDSACASA-N 317.838 2.445 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccccc2)n1 1469158572 BTJYJBAAXUORMB-UHFFFAOYSA-N 309.325 2.214 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2oncc2C)cc1C 1481298778 RLEFOTRSSGBGLU-UHFFFAOYSA-N 317.389 2.162 10 10 DECE C[C@H](C(=O)NCc1c(O)cccc1O)c1ccc2c(c1)OCO2 1558535548 JRQXNSAPOCBNOT-JTQLQIEISA-N 315.325 2.246 10 10 DECE COC(=O)/C=C\c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 1772822298 AUKHBJKMAUZDEH-HYXAFXHYSA-N 308.359 2.334 10 10 DECE COC(=O)c1cnc(Sc2nc(CC(=O)O)cs2)s1 2126227415 HDGHEDWUCOODFG-UHFFFAOYSA-N 316.385 2.165 10 10 DECE Cc1cc(O)c2c3c(n(C#N)c2c1)C(=O)c1c(O)cccc1C3=O 5160215 ICZJRSZSGQYRIC-UHFFFAOYSA-N 318.288 2.466 10 10 DECE biogenic,in-vitro CCCN(CCOc1ccc(N)cc1)S(=O)(=O)CCC 1913443101 DDTGNRXWWUYUAK-UHFFFAOYSA-N 300.424 2.099 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1912204702 XSHACNNCLJWGPG-UHFFFAOYSA-N 302.306 2.428 10 10 DECE C[C@@H](CS(C)(=O)=O)N(C)[C@H](C)c1ccc(Cl)cc1O 2138552536 GVDNQEKNDJYVET-VHSXEESVSA-N 305.827 2.472 10 10 DECE CC(C)(C)OC(=O)N1CC(OC[C@H](N)c2ccccc2O)C1 1928466981 GQWNJOFOFGFTSL-ZDUSSCGKSA-N 308.378 2.028 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](N)c1ccccc1O 1928471852 XOITWRSBDYFWKL-OCCSQVGLSA-N 308.378 2.028 10 10 DECE Cn1nnc(Br)c1CN[C@@H]1CCc2cccc(O)c21 1967544583 ZGFPICDLZHGNAY-SECBINFHSA-N 323.194 2.060 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1[C@H](N)c1ccccc1O 1936985732 YTVPSGRKMXWIKJ-NILFDRSVSA-N 322.405 2.322 10 10 DECE Nc1ccc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1948385582 YCKFQRVYGCUYLJ-VQTJNVASSA-N 323.440 2.354 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1ccc(O)c(O)c1 1952158607 ZXNQSTQYIWSSGK-NWDGAFQWSA-N 308.378 2.497 10 10 DECE C[C@H](N[C@@H]1CCS(=O)(=O)[C@H](C)C1)c1ccc(F)cc1O 2143960645 OXGFLQGPQVCDGI-JFGNBEQYSA-N 301.383 2.148 10 10 DECE CCOC(=O)C1=NN(c2ccc(Br)cc2)C(=O)C1 2037183405 VLDXVALFWLRLSV-UHFFFAOYSA-N 311.135 2.105 10 10 DECE Cc1oc(CO)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 2157778595 BNBIDFUIDDQHQX-UHFFFAOYSA-N 317.750 2.240 10 10 DECE O=C(C[C@H](O)C1CC1)NCc1cc(Cl)cc(Cl)c1O 2063026377 NEYMCOAXQGTODD-NSHDSACASA-N 304.173 2.476 10 10 DECE CN1CCN(c2ccc(CN)cc2Br)[C@@H]2CC[C@@H]21 2049374566 HJZSNJNLYFLEDY-UONOGXRCSA-N 310.239 2.191 10 10 DECE CCN(C)C1CN(c2ccc(CN)c(Br)c2F)C1 2050310079 WROQJZLWVBUWQX-UHFFFAOYSA-N 316.218 2.187 10 10 DECE CC1=CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 2077219745 DQDXSVIGNVGTDT-GFCCVEGCSA-N 308.179 2.167 10 10 DECE O=c1c2c(ccn1Cc1snc(Cl)c1Cl)CCNC2 2110930601 IJDMWRZIMMSEFX-UHFFFAOYSA-N 316.213 2.306 10 10 DECE Cc1c(C(=O)NCc2ccccc2O)nn(C)c1Br 2111932450 JWYHYEUNBZIHRH-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Nc1ccc(CC(=O)N[C@@H]2CCCC3(CC2)OCCO3)cc1 2095749788 CRUJWHLEONJZJG-OAHLLOKOSA-N 304.390 2.003 10 10 DECE CCNC(=O)c1cc(=NCc2cnc(SC)s2)cc[nH]1 2208487970 XVAHRMWHNKTCLZ-UHFFFAOYSA-N 308.432 2.044 10 10 DECE C[C@H](NC(=O)c1cnnc(Br)c1)c1ccccc1O 2273951586 UYUNERJWDZFNDG-QMMMGPOBSA-N 322.162 2.436 10 10 DECE CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CN)cc1Cl 2285297007 PVJWVRZJRFBFNW-HAQNSBGRSA-N 316.854 2.058 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)c(Br)c1 2311888194 FLOABHJALGYGCP-AEHQLWAISA-N 311.223 2.286 10 10 DECE Cc1ccc(CN2C[C@@H]3CNC[C@@H]3C2)c(O)c1Br 2327624514 RWKAFKYIUQCQTF-TXEJJXNPSA-N 311.223 2.114 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@@H]2COc3ccccc32)c1 114592815 SXTACOIVEOXDGB-CQSZACIVSA-N 314.341 2.334 10 10 DECE CC(C)[C@@H](N)c1ccc(I)c(N)c1O 238791714 RSTACWQXEHLNGR-MRVPVSSYSA-N 306.147 2.235 10 10 DECE Oc1ccc2c(n1)CCC[C@@H]2NCc1cc2c(cc1O)OCO2 263682189 MXPFSZJEDQYARC-LBPRGKRZSA-N 314.341 2.389 10 10 DECE C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N(C)C)cc1 368429984 RVJMBNCUMTZBMQ-IARIHHJXSA-N 301.434 2.413 10 10 DECE CS(=O)(=O)c1cscc1CN1CCC(N=[N+]=[N-])CC1 2272884658 MSBUTVLAOYZFPR-UHFFFAOYSA-N 300.409 2.426 10 10 DECE Oc1cc(F)c(Cl)cc1CN1CCN(c2cccnn2)CC1 295390523 PUQSQYHDXBFXIC-UHFFFAOYSA-N 322.771 2.297 10 10 DECE CCNC(=O)N1CC[C@H](N[C@H](C)c2c(C)cc(C)cc2O)C1 294628195 FTYNGDOIRJQPOT-KGLIPLIRSA-N 305.422 2.463 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)C[C@H]1C[C@@H]1C(F)(F)F 2164652159 VJSZNVFPVUVWFQ-KCJUWKMLSA-N 308.325 2.233 10 10 DECE CCN(CC)c1ccc(CNC[C@H](O)Cn2cccn2)cc1F 819043383 RKRBZPQMAHKOCG-HNNXBMFYSA-N 320.412 2.019 10 10 DECE CC[C@H](CO)N1CCN(Cc2cc(Cl)c(C)cc2O)CC1 824882704 BUVDYXBTZRPRCE-CQSZACIVSA-N 312.841 2.243 10 10 DECE CN(C)c1ccc(/C=C\CNC[C@]2(C(=O)O)CCCOC2)cc1 901944433 WGTFCPBOSWAPQB-LKIHTYOGSA-N 318.417 2.237 10 10 DECE CC(=O)c1cc(F)cc(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)c1O 903517489 DMLRJBLORJXRJS-VXGBXAGGSA-N 320.286 2.055 10 10 DECE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)C1 839650482 MHUKTRLEJFFGMX-GRYCIOLGSA-N 321.373 2.167 10 10 DECE Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccccn1 918394410 GYBLEAZGJBXYRN-HNNXBMFYSA-N 312.417 2.313 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@H](CO)C[C@@H](O)C(C)(C)C 840942947 BOZSORUUPNVVES-DOTOQJQBSA-N 308.466 2.309 10 10 DECE CN(C)c1ccc(/C=C\CNCC[C@@]2(O)CCCOC2)cc1 846106961 MPNWSVOSSWEAPQ-AJNOYIKESA-N 304.434 2.287 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3=COCCC3)C2)cc1 855231052 SSOQXRVRUVGNRY-CQSZACIVSA-N 302.374 2.084 10 10 DECE COc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cn1 759598216 UPUJHEPJLPMWCQ-QPJJXVBHSA-N 301.298 2.258 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)c3ccn(C)n3)C2)cc1 850487599 OEPHGDDQCRBVTO-KBPBESRZSA-N 300.406 2.358 10 10 DECE C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 865920948 AYQLPGXWGOKANJ-GXSJLCMTSA-N 318.352 2.328 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC1(CCO)CCCCC1 768395312 XXGOPTXNSUFXAT-FNORWQNLSA-N 305.374 2.313 10 10 DECE Cc1cnc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc1 760808532 MASURZCOVKBMBT-UHFFFAOYSA-N 312.417 2.254 10 10 DECE CCOC(=O)C1=CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 868806351 AJSUTWQFEDSJMB-AAEUAGOBSA-N 318.373 2.404 10 10 DECE C/C=C/C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O 761354028 NRMYVAFJZLOELC-NFAHFFEMSA-N 301.390 2.448 10 10 DECE Cc1cnc(N)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 776751231 RNJVFMRSDWQSFF-UHFFFAOYSA-N 313.766 2.132 10 10 DECE COc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 771849424 YKMBZASEOOEHBF-UHFFFAOYSA-N 312.417 2.454 10 10 DECE COc1c([N+](=O)[O-])ccc(CN[C@H](CO)c2ccsc2)c1O 775072012 VQCVVFJALVCGSI-LLVKDONJSA-N 324.358 2.194 10 10 DECE C[C@H]1CCC[C@@H](C)N1CCNC(=O)/C=C\c1ccc(O)c(O)c1 779514367 LEWNXGMPQFTQDC-FQEPKYARSA-N 318.417 2.490 10 10 DECE CN1CCN(c2ccc(CNC(=O)[C@H]3CCC3(C)C)cc2)CC1 881855412 VNUXECTZPCMIIY-QGZVFWFLSA-N 315.461 2.491 10 10 DECE COC(=O)[C@H](CC1CCOCC1)NCc1ccc(C)cc1O 895592204 NDHFQPQVEOWQDC-HNNXBMFYSA-N 307.390 2.149 10 10 DECE COc1cccc(CNC(=O)C(C)(C)COCC(F)F)c1O 787131925 VCVGRSOANZXOTH-UHFFFAOYSA-N 317.332 2.325 10 10 DECE C[C@@H]1OCC[C@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 794657776 HNFPVKWHLGQVCL-UGSOOPFHSA-N 303.402 2.261 10 10 DECE Cc1cccc(O[C@H](C)C(=O)NCc2c(O)cccc2O)c1 1304050385 LYQHGKNNEXPGLY-GFCCVEGCSA-N 301.342 2.490 10 10 DECE CN(C)C(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 1156170886 VKZRGUGABRPDHK-UHFFFAOYSA-N 316.332 2.163 10 10 DECE c1cc2c(cc1N1CC[C@H](CNC[C@@H]3CCCO3)C1)OCO2 76439964 UGGMUPNLSPCGJL-HIFRSBDPSA-N 304.390 2.010 10 10 DECE C[C@@H](c1ccc(F)cc1O)N(C)C[C@@H]1CCCS1(=O)=O 694395098 CAZBXCBMHBNTHM-JQWIXIFHSA-N 301.383 2.101 10 10 DECE 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CC(=O)C(=O)COC(=O)c1c(-c2ccc(F)cc2)noc1C 808501051 CCWQRDHUVZWAGY-UHFFFAOYSA-N 305.261 2.104 10 10 DECE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3ccc(C)cc32)c1 731981629 RAAXSKFRWPEWOZ-GQCTYLIASA-N 321.380 2.352 10 10 DECE C[C@@H](NS(=O)(=O)c1ccnn1C1CCC1)c1ccccc1O 919118444 KDMIPZXBTDGTSV-LLVKDONJSA-N 321.402 2.353 10 10 DECE CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912293520 ZHQLRCHTQMAVFY-DLTLXFJOSA-N 318.417 2.061 10 10 DECE Cc1cc(Br)cc(CN2CN(C)C(=O)[C@@H]2C)c1O 843435326 LWJBPDYZUJKALG-VIFPVBQESA-N 313.195 2.083 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)cc1 855223129 BPWXKYZJQADWQS-SKDRFNHKSA-N 320.286 2.291 10 10 DECE COc1cc(CNC[C@H](O)[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 858226322 MKUKTDBHBIUEFI-JKSUJKDBSA-N 323.433 2.328 10 10 DECE C[C@H](NCC12CC(CN1)C2)c1ccc(N2CCOCC2)c(F)c1 854228322 VEWKJMYCBOACOQ-VNSJNIRKSA-N 319.424 2.065 10 10 DECE COc1cc(CN2CCO[C@@H](CCCN(C)C)C2)c(O)cc1C 853625264 QWZCUHWHJZPPDO-INIZCTEOSA-N 322.449 2.252 10 10 DECE CC[C@@H](C[C@@H](C)O)NCc1ccc(N2CCOCC2)c(F)c1 865873293 VZRKOFXWQAVDRN-HIFRSBDPSA-N 310.413 2.301 10 10 DECE COC(=O)[C@H](Cc1cccc(OC)c1)NCc1ccccc1O 862475111 ZDPYDWXJBAKRGI-INIZCTEOSA-N 315.369 2.275 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 768461865 GQTSOKSVXDHWBT-OGHNNQOOSA-N 319.401 2.067 10 10 DECE C[C@@H]1CCC[C@@H](C)N1CCNC(=O)/C=C/c1ccc(O)c(O)c1 779514366 LEWNXGMPQFTQDC-BIYBCCJYSA-N 318.417 2.490 10 10 DECE O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(F)cc(F)c2O)CN1 894095822 SNWYWWLEGZNEKK-YGRLFVJLSA-N 310.344 2.161 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@H]1COC[C@@H]1C1CC1 898388403 SXANNHSMVCLUAY-MSOLQXFVSA-N 302.418 2.038 10 10 DECE COCCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccnn1C 787330611 CRDJASDNUPYESF-UHFFFAOYSA-N 320.412 2.274 10 10 DECE Oc1ccc(Cl)cc1CN1C[C@@H](O)CC2(CCOCC2)C1 895722630 YDLNBJMCGDUJGN-AWEZNQCLSA-N 311.809 2.409 10 10 DECE COC(=O)c1c(CN2CCC(O)CC2)c2cc(F)ccc2n1C 893901194 NAGJXQHMPSSOIO-UHFFFAOYSA-N 320.364 2.061 10 10 DECE CCOCCOC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 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COc1ccc(OC)c(NC(=O)c2cc(O)c(O)c(O)c2)c1 586736761 QZIOJXDQBWAIGE-UHFFFAOYSA-N 305.286 2.073 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H](C)N 842006408 QBJYBWPFKRYCHW-KBPBESRZSA-N 306.454 2.408 10 10 DECE COc1cccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O 846155393 SPQGIAUXSPMJSN-GFQSEFKGSA-N 304.390 2.061 10 10 DECE CCN(C)c1ccc([C@@H](C)NC[C@H](O)c2ccnn2C)cc1 927131129 HTPGUQBWORPQDH-DYVFJYSZSA-N 302.422 2.260 10 10 DECE CCOc1cccc(CN[C@H](COC)C2CCOCC2)c1O 850351839 VMQBHJNNYMHNMP-OAHLLOKOSA-N 309.406 2.322 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCC(=O)N2)cc1 855933725 CKWJSIFMWDMKIO-HNNXBMFYSA-N 311.385 2.103 10 10 DECE C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(F)c(N(C)C)cc1F 862225275 QCQAYWHBLNZIMY-WDEREUQCSA-N 311.376 2.117 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3OC)CC2)cc1 1337103547 HKFYPDAHTXZHEP-IRXDYDNUSA-N 318.417 2.159 10 10 DECE OC[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1CO 1899869686 FTNJSWWLSHRQKL-CALCHBBNSA-N 313.397 2.303 10 10 DECE CCN(c1cc2c(cc1Br)[C@@H](N)C(=O)N2)C1CC1 92775017 HNRRYCQPXKNLGD-GFCCVEGCSA-N 310.195 2.390 10 10 DECE C[C@@H](C1CC1)n1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1448161458 LSAFCPZPYKNTEN-JTQLQIEISA-N 301.346 2.447 10 10 DECE Cc1cc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 1624479401 BVQHMDRUDQIVNI-UHFFFAOYSA-N 300.406 2.375 10 10 DECE CCn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C(C)C)n1 1635959890 PSQUWRABPDRVGQ-UHFFFAOYSA-N 303.362 2.368 10 10 DECE O=C(c1ccc(-n2ccnc2)nc1)N1Cc2cccc(O)c2C1 1643168788 JBELZVLYFQYZDG-UHFFFAOYSA-N 306.325 2.129 10 10 DECE COc1ccc(Br)c(CN[C@@H](C)[C@@H](C)CO)c1O 1964567446 VUMZZAFAKQWPLE-IUCAKERBSA-N 318.211 2.270 10 10 DECE C[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1 1865875608 BGBORHOMJZULDH-SNVBAGLBSA-N 302.330 2.122 10 10 DECE CNCc1ccc(N2CC[C@@H](N(C)C)C2)c(Br)c1 234373035 ZLLYVJAMJSEUPB-GFCCVEGCSA-N 312.255 2.309 10 10 DECE CC(C)(C)OC(=O)[C@@H](N)c1ccc(Br)cc1O 1951387845 ZGSDEOPLBXRRQF-JTQLQIEISA-N 302.168 2.496 10 10 DECE CN1CCNC[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1O 1952550477 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WHICTBHCTIGBID-ZYHUDNBSSA-N 315.373 2.421 10 10 DECE COc1ccc2c(c1OC)C(=O)c1cc(O)c(C)c(O)c1C2=O 90548544 IOZZOJXKYOIYGA-UHFFFAOYSA-N 314.293 2.199 10 10 DECE biogenic,in-vitro Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 368212678 PJIGGIPWQVGOCW-CZUORRHYSA-N 318.417 2.131 10 10 DECE CCc1nnc(CNCc2ccc(N3CCOCC3)cc2)s1 391876276 PXTYTXCDTAKQHR-UHFFFAOYSA-N 318.446 2.227 10 10 DECE CN1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 729526694 BIGWBPMAHHIQNF-INIZCTEOSA-N 301.434 2.245 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC[C@@H](CO)C2)c1 840895591 OFFAVQRIWJYGAM-OUCADQQQSA-N 307.390 2.381 10 10 DECE COC(=O)/C=C/c1ccc(N2CC[C@H](OC)C2)c([N+](=O)[O-])c1 751966415 MHQKCJBCZMBOAP-FUEXJSSKSA-N 306.318 2.006 10 10 DECE COc1ccc(O)c(CNC(=O)NCC[C@H]2CC2(F)F)c1 856865616 UNBCBBFZPYUYCB-JTQLQIEISA-N 300.305 2.245 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@@H](OC)C2CCC2)cc1 855020387 OLOYUTMWXFUDDL-KRWDZBQOSA-N 320.433 2.405 10 10 DECE Cc1ccc(O)c(CNC(=O)CCc2nnc(C(F)F)o2)c1 869410512 LDLMHPXBWYBSBB-UHFFFAOYSA-N 311.288 2.270 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C12CC(C1)C2 860269347 YNWFBTMRUFNTLS-UHFFFAOYSA-N 316.401 2.054 10 10 DECE COc1cc2c(c(OC)c1)N(CCO[C@H]1CCOC1)CCC2 930723497 YNQXQQDJRCFNSK-AWEZNQCLSA-N 307.390 2.262 10 10 DECE COc1ccc(O)c([C@@H](C)Nc2nc(C)nc(N(C)C)n2)c1 768522924 CRWLRIDEJRIWGK-SECBINFHSA-N 303.366 2.133 10 10 DECE CN(C)c1ccc(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 785543055 FRYVTOSGDPZDLB-SGODWYSYSA-N 324.468 2.351 10 10 DECE CO[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F 787465494 VUYFUNPXOYDPAZ-KTLBGCOUSA-N 319.279 2.195 10 10 DECE Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1 784879906 NJDSZYCXJBEHIJ-UHFFFAOYSA-N 318.329 2.292 10 10 DECE COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1 797644028 RLZWEONEYYFVNV-SNVBAGLBSA-N 317.345 2.254 10 10 DECE O=C(CCn1cnc2ccccc21)NCc1cccc(O)c1O 1153791950 LUFCLPHMAWIWKP-UHFFFAOYSA-N 311.341 2.154 10 10 DECE CC(C)(C)OC(=O)N1CC(NC(=O)Nc2ccc(N)cc2)C1 1959383189 SPXJSPUIDIBMEK-UHFFFAOYSA-N 306.366 2.010 10 10 DECE O=C(CCCCO)Nc1c(-c2ccccn2)nc2ccccn12 1160564147 WZFUVMPQVUAEFH-UHFFFAOYSA-N 310.357 2.497 10 10 DECE C=CC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1176576424 LOUPOFRMNKVKFO-UHFFFAOYSA-N 312.325 2.152 10 10 DECE CCOc1ccc(N2CCN(C(=O)CC3CSC3)CC2)cc1 1335530925 QDNVEHOORTUWFX-UHFFFAOYSA-N 320.458 2.487 10 10 DECE CN(Cc1ccccc1O)C(=O)c1c(Br)cnn1C 693703047 WFNHHEJPBGXJNO-UHFFFAOYSA-N 324.178 2.160 10 10 DECE CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccc(N=NC(N)=O)cc1 1624159752 CKACFLRCQSNSGN-OCCSQVGLSA-N 318.377 2.472 10 10 DECE Nc1ccc(CCC(=O)Nc2nccnc2Br)cc1 2121641263 CWLVWRODKPTNAR-UHFFFAOYSA-N 321.178 2.393 10 10 DECE CCc1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] 1639289317 NLXPCGNXLRUNNK-UHFFFAOYSA-N 316.313 2.498 10 10 DECE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](CO)c1ccccc1 1637387249 CBBPWHIKWPONLZ-HQPKTYMTSA-N 313.353 2.303 10 10 DECE Cc1c(C(F)(F)F)n[nH]c1C(=O)NCc1c(O)cccc1O 1635851149 XICUFQRZTWFTGS-UHFFFAOYSA-N 315.251 2.078 10 10 DECE CCOC(=O)/C=C\CN1CCN(c2ccc(OCC)cc2)CC1 1644993465 LFWGOSIQCUNRJP-WAYWQWQTSA-N 318.417 2.327 10 10 DECE CN(Cc1ccccc1O)c1nc(Cl)nc2[nH]c(O)nc12 1650882324 AFAGIWAAVHENRW-UHFFFAOYSA-N 305.725 2.054 10 10 DECE Nc1ccc(CCNC(=O)c2nn(-c3ccccc3)cc2O)cc1 152480701 XKVNKKJMNBSTAU-UHFFFAOYSA-N 322.368 2.133 10 10 DECE Cc1nc(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)cs1 1912195153 NWLMQWSYWFODTM-SECBINFHSA-N 301.397 2.163 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(CO)c1 1914609455 GDPNWDLHJUECFB-CYBMUJFWSA-N 316.357 2.475 10 10 DECE CN(CC1(CO)CC1)c1ccc(CN)c(Br)c1F 1915521539 BMROBYMUGNSXRM-UHFFFAOYSA-N 317.202 2.256 10 10 DECE CN[C@H](c1ccccc1O)[C@](C)(O)CCNC(=O)OC(C)(C)C 1920597936 RCVHIFOVQWUASE-RHSMWYFYSA-N 324.421 2.319 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2ccc(O)cc2O)C1 1936012254 IEJSXYNOUFMPRW-AULYBMBSSA-N 322.405 2.491 10 10 DECE CC(C)(C)OC(=O)N[C@H](C=CC(=O)O)Cc1ccc(O)c(O)c1 1951381160 INDVSYNVRFPHOJ-LLVKDONJSA-N 323.345 2.174 10 10 DECE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CCC1 1985094577 QTPSTVQMHVQFHY-LBPRGKRZSA-N 323.397 2.449 10 10 DECE [N-]=[N+]=NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 42013288 XVFCXTVWROMFPG-UHFFFAOYSA-N 319.730 2.227 10 10 DECE C[C@H]1CC[C@H](C2OCCO2)N(c2cc3c(cc2N)OCCO3)C1 2152086871 DEMAXDJLQKFRKR-WCQYABFASA-N 320.389 2.018 10 10 DECE Nc1ccc(OCCNC(=O)c2cc(Br)c[nH]2)cc1 63130408 SMZJQUSRYYGRRH-UHFFFAOYSA-N 324.178 2.168 10 10 DECE C[C@@H]1C[C@H](CO)CN1c1ccc(CN)c(Br)c1F 2038889172 BVFUITCQGIZYCY-BDAKNGLRSA-N 317.202 2.254 10 10 DECE CNCc1ccc(N2C[C@@H](O)C[C@@H](C)C2)cc1Br 401483314 BCYXFIWOGLERAQ-MFKMUULPSA-N 313.239 2.376 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C(C)C)[C@H]3C(C)C)c2n1 2063421219 AAAWWKATZLSKHX-UKRRQHHQSA-N 316.405 2.496 10 10 DECE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)O)cc1Cl 2170322192 AUKGVAPAIJLGBZ-HBNTYKKESA-N 317.838 2.405 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCS[C@@H]3CCC[C@H]32)cc1 2170529113 NUAARVIQADOXIT-ZIAGYGMSSA-N 312.460 2.069 10 10 DECE COC[C@@]12C[C@@H]1CN(c1ccc(CN)c(Br)c1)C2 2046795150 VFZCDGDCUXDXGV-RISCZKNCSA-N 311.223 2.381 10 10 DECE CN[C@@H](C)c1ccc(N2CC=C[C@H]2CO)c(Br)c1 2056284725 YFGGKTQBFQINNJ-JQWIXIFHSA-N 311.223 2.467 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1CC[C@H](CS(C)(=O)=O)C1 2203361449 AAAOGHYLBCIERZ-MNOVXSKESA-N 317.838 2.473 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)cc1Br 2258315794 FHKKTVJQMKMVQV-DLVJRCHESA-N 311.223 2.286 10 10 DECE COc1cccnc1N(C)C(=O)C=Cc1c(C)nn(C)c1Cl 2303614621 LVPBSJDPZPBUBO-UHFFFAOYSA-N 320.780 2.462 10 10 DECE CN(C)[C@H]1CCC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001659 DFBRTRNKGAPJLG-KBPBESRZSA-N 304.390 2.100 10 10 DECE Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1 65903482 KJCXJKGUVOMGON-UHFFFAOYSA-N 311.385 2.056 10 10 DECE Nc1ccc(OCCS(=O)(=O)NCCC2CCCC2)cc1 70490681 JYUVDHWHRFWLEU-UHFFFAOYSA-N 312.435 2.147 10 10 DECE CSC(C)(C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 133747982 FZPBQBBOSAZAAG-UHFFFAOYSA-N 304.419 2.326 10 10 DECE CCOc1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O 93611799 UFBHFPYUSUOXJF-ZDUSSCGKSA-N 305.296 2.290 10 10 DECE Cn1nccc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 255420643 LOLUNSXJMRFUAY-CLFYSBASSA-N 311.385 2.334 10 10 DECE COc1cccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1O 374685539 FAKIXDNOWBXRLZ-WMLDXEAASA-N 321.417 2.058 10 10 DECE Oc1c(F)cc(Br)cc1[C@@H](CF)N1CCNCC1 575283778 LOQUOAXKCZBDAZ-LLVKDONJSA-N 321.165 2.210 10 10 DECE CCN(C)c1ccc(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1 815094294 IEOIKXLDCOJZMK-QGZVFWFLSA-N 302.418 2.323 10 10 DECE O=C(NCCCSc1nccs1)[C@@H]1CCc2nc[nH]c2C1 827474753 MHIKFHMBZYZPLD-SNVBAGLBSA-N 322.459 2.270 10 10 DECE COC[C@]1(C(=O)OC)CCCN1Cc1ccc(N(C)C)cc1C 827489590 SPLGMURULVJDJN-SFHVURJKSA-N 320.433 2.215 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(c2)CCN3)cc1 832274803 YUGOJYFBOTYLJR-QGZVFWFLSA-N 324.428 2.150 10 10 DECE CCc1cccc(CN2CCSC[C@@H](C(=O)OC)C2)c1O 848917724 KDEANHYZWNLUCO-AWEZNQCLSA-N 309.431 2.293 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CC(C)(C)C1 848227126 ZWDVTLZETDVHCS-OAHLLOKOSA-N 317.477 2.450 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/CN 841994237 CXARPXXALFRUSR-AATRIKPKSA-N 304.438 2.188 10 10 DECE C[C@H](N[C@@H]1CNCC2(CCOCC2)C1)c1ccc(F)cc1O 925793061 QLUJRJQJWASHKI-JSGCOSHPSA-N 308.397 2.341 10 10 DECE Oc1c(F)cc(Cl)cc1CN1CCO[C@@]2(CCOC2)C1 769555607 GWGCFBQDTYHYIJ-AWEZNQCLSA-N 301.745 2.176 10 10 DECE O=C1C[C@@H](c2cccc(NC(=O)c3cc(O)cs3)c2)CN1 772577230 HRPHVNRZRKYWHY-SNVBAGLBSA-N 302.355 2.310 10 10 DECE COc1cc(O)ncc1C(=O)NCc1cc(Cl)ccc1O 1146248258 WKAHJSYUCIQHHX-UHFFFAOYSA-N 308.721 2.085 10 10 DECE Cn1c(NC(=O)Cc2ccc(O)c(O)c2)nc2ccc(F)cc21 1153840485 DRLJFKHOYJTHKQ-UHFFFAOYSA-N 315.304 2.305 10 10 DECE NCc1ccc(N2CCN3CCC[C@@H]3C2)c(Br)c1 212928214 MAJYZFOJFVCORX-GFCCVEGCSA-N 310.239 2.192 10 10 DECE CNC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 1165497185 AVBYBKXTRQSOJJ-UHFFFAOYSA-N 318.760 2.335 10 10 DECE O=C(N1CCC[C@H](CNCc2ccccc2O)C1)C(F)(F)F 689411650 FVEOHCPVDYERIR-LLVKDONJSA-N 316.323 2.283 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)n3cccc3)C2)cc1 1334738992 CFPCOTBIJWBOMD-CABCVRRESA-N 313.401 2.453 10 10 DECE O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2cccnc2C1 1263845995 FYCAOPWUENONCU-NSHDSACASA-N 302.761 2.472 10 10 DECE C[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccccc1O 1197004724 VEBWKDKQHJDESI-GFCCVEGCSA-N 302.349 2.498 10 10 DECE COc1ccc([C@H](CN2C(=O)CSC2=S)N(C)C)cc1 1860075673 OWOXUAPVSQDZBI-LBPRGKRZSA-N 310.444 2.158 10 10 DECE C[C@@H](NC(=O)[C@@H]1CCC=CO1)c1ccc(N2CCOCC2)cc1 1625883130 SKBJIHRHRYTXCW-PBHICJAKSA-N 316.401 2.393 10 10 DECE C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1c(O)cccc1O 1635846884 CTSJSWBTGAYHJF-QLJPJBMISA-N 319.332 2.018 10 10 DECE Oc1ccc(C2=NN=C3C4CCN(CC4)[C@@H]23)cc1Br 169964222 MEWZUIVPMWHDGH-CQSZACIVSA-N 320.190 2.408 10 10 DECE CN(C)C[C@H]1CN(Cc2c(O)ccc3ccccc23)CCO1 152987476 VQCBAAURNHXPPV-HNNXBMFYSA-N 300.402 2.308 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)[C@@H](F)C2)c1O 934573345 DWMDFVBKSHIKRB-STQMWFEESA-N 301.745 2.153 10 10 DECE CC(C)(CN1CCCC[C@@H](CN=[N+]=[N-])C1)CS(C)(=O)=O 1912173840 RJYOIDPHDVYSET-LBPRGKRZSA-N 302.444 2.470 10 10 DECE COCC(C)(COC)NCc1cc(Cl)cc(OC)c1O 1967709281 XJLDCCYKGCEYEU-UHFFFAOYSA-N 303.786 2.195 10 10 DECE COCC(C)(COC)NCc1ccc(Br)cc1O 1967708199 MQYTYPHISQIMNH-UHFFFAOYSA-N 318.211 2.296 10 10 DECE CN(C)c1ccc(CNOCCNC(=O)OC(C)(C)C)cc1 1928527126 OQCZPCBEMHLYRL-UHFFFAOYSA-N 309.410 2.299 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1cccc(Cl)c1O 2141089405 VMDSLAXCXXXEEH-VXGBXAGGSA-N 303.811 2.101 10 10 DECE Oc1ccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c(O)c1 1939380071 MAIJPMZFVPMDMR-APWZRJJASA-N 310.397 2.462 10 10 DECE OC[C@H]1CC[C@H](NCc2c(O)cccc2Br)C1 1942376284 YKDLCDDQRHTNFQ-UWVGGRQHSA-N 300.196 2.405 10 10 DECE CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCS1 2143751463 WOIZBICBYTYCGO-ZDUSSCGKSA-N 314.476 2.362 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1F 2013762782 JIWJGAXVYKQHKA-WDEREUQCSA-N 304.159 2.371 10 10 DECE Nc1ccc(CNS(=O)(=O)c2ccsc2Cl)cc1 2032682950 ZDNLKSXVOVSPSL-UHFFFAOYSA-N 302.808 2.462 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](O)C(F)(F)C2)cc1Br 2034598644 GBRGBMDAPYPLSS-RDDDGLTNSA-N 321.165 2.285 10 10 DECE CNCc1ccc(OC)c(CN2C(=O)c3ccccc3C2=O)c1 320809059 WXHOPDLVUYIWKG-UHFFFAOYSA-N 310.353 2.211 10 10 DECE Cc1csc([C@@H](C)NS(=O)(=O)Cc2ccc(N)cc2)n1 80259518 GLJROVNBOFNBFF-SNVBAGLBSA-N 311.432 2.214 10 10 DECE Cc1c(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)cnn1C 255313479 CJLFLDSPQXAZPT-DAXSKMNVSA-N 314.364 2.364 10 10 DECE NCc1sc(C(F)F)c(I)c1O 2080419509 JIPUNZXTLWVICW-UHFFFAOYSA-N 305.087 2.455 10 10 DECE Oc1ccc(CCNc2cnncc2Br)cc1O 2046540403 YHSBXARTZNJRKE-UHFFFAOYSA-N 310.151 2.305 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@]3(O)C2)cc1Br 2051366205 KPTDFDFESFUACB-RULNRJAQSA-N 311.223 2.430 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CCCC[C@H]1O 2101536994 QHMMBTPSABUNEY-VXGBXAGGSA-N 305.783 2.091 10 10 DECE C[C@]1(O)C[C@@H]2[C@H]1CCN2c1ccc(CN)c(Br)c1 2218432484 OWQAASKDYAGDJH-BNOWGMLFSA-N 311.223 2.257 10 10 DECE CCc1nn[nH]c1CNCc1cccc(Br)c1O 2261471894 TWNVHLKRRFMIEB-UHFFFAOYSA-N 311.183 2.125 10 10 DECE CN[C@H](C)c1ccc(N(CCOC)C[C@@H](C)O)cc1Cl 2288059076 KOEIXNQVHUPUAN-VXGBXAGGSA-N 300.830 2.454 10 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DECE O=C(CCOCc1ccccc1)NCc1cc(O)ccc1O 1637122664 MICDVFKKFZUGGK-UHFFFAOYSA-N 301.342 2.321 10 10 DECE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccccc1F 1634481736 FZXOUESRJIOGHU-NSHDSACASA-N 319.332 2.363 10 10 DECE CCn1cc(Cl)c(C(=O)NCc2ccc(OC)cc2O)n1 1633926320 BFGKYKIETHJYJN-UHFFFAOYSA-N 309.753 2.201 10 10 DECE COc1cccc2c(C(=O)N3Cc4cccc(O)c4C3)n[nH]c12 1643169904 WEOOWVKISATWCQ-UHFFFAOYSA-N 309.325 2.433 10 10 DECE COc1ccc2c(c1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 1654726455 CEVKURAFNRHUIQ-UHFFFAOYSA-N 317.316 2.444 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(Cl)cc2O)C1 1964049660 VLJXJJQRPGEXFE-STQMWFEESA-N 317.838 2.491 10 10 DECE COCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859498651 KOZOHXHNVXMIDK-UHFFFAOYSA-N 309.321 2.437 10 10 DECE Cc1ccc(-n2c(C)cc(C(=O)NCCCNC=O)c2C)cc1 1874028109 UNJKASIEDRNGBP-UHFFFAOYSA-N 313.401 2.268 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccc(N)cc1 1901467110 RYECLLNJTQXCON-CYBMUJFWSA-N 323.437 2.493 10 10 DECE NCc1cc(F)c(N2CC[C@]23CCOC3)cc1Br 1915803432 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CC(NCCO)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 2294492923 UIZMGJOIYDJEFK-UHFFFAOYSA-N 321.380 2.293 10 10 DECE CC[C@@H](Oc1ccccc1C=C1SC(=S)NC1=O)C(=O)O 2294872018 MLTOAKNLMHTNJS-SECBINFHSA-N 323.395 2.417 10 10 DECE CNc1cncc(F)c1C(=O)NCc1cnc(SC)s1 2284725315 QUTLGQSJXTUVJR-UHFFFAOYSA-N 312.395 2.371 10 10 DECE Cn1cnc(Br)c1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 2315663381 PCXIDFUOZFTSPU-ZETCQYMHSA-N 313.159 2.098 10 10 DECE Cc1ccc(CN2CC[C@](F)(CO)C2)c(O)c1Br 2327621924 SEBIFBQJDQNHJX-CYBMUJFWSA-N 318.186 2.369 10 10 DECE Cc1ccc(CN2CC[C@H](O)[C@@H](F)C2)c(O)c1Br 2327627156 AEEOSPASJXQZSM-QWRGUYRKSA-N 318.186 2.368 10 10 DECE NCc1cc(F)c(N2CCC[C@@H]2CO)cc1Br 310394011 GZMHDKLLMBZIHV-SECBINFHSA-N 303.175 2.008 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)CC(C)C 305066470 NBAKSJDHAGLPOC-CYBMUJFWSA-N 315.373 2.387 10 10 DECE CC[C@H](NCCC(N)=O)c1cc(Br)ccc1O 36746975 PJBODSNDAKXVML-JTQLQIEISA-N 301.184 2.071 10 10 DECE C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 45683624 XNOXTSIYVYLHKA-CZUORRHYSA-N 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323.780 2.173 10 10 DECE Cc1cc(Br)c(O)c(CN2CCn3nncc3C2)c1 848922250 OOZODNQIJRRSQE-UHFFFAOYSA-N 323.194 2.070 10 10 DECE CCOc1cccc(CN2CCOC[C@@H]2c2ccnn2C)c1O 846114258 BTLWKEUFELHUPF-OAHLLOKOSA-N 317.389 2.098 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CCCC(C)=O)C2)cc1 855228597 DVWPTIPYOFPKLC-AWEZNQCLSA-N 304.390 2.149 10 10 DECE O=[S@](CCN[C@@H]1CCc2cccc(O)c21)CC(F)(F)F 850495201 YGNKMQARPRPSIR-CFMSYZGJSA-N 307.337 2.280 10 10 DECE O=C([C@H]1CCCN1Cc1ccccn1)N1Cc2cccc(O)c2C1 871202492 JKUMYQOTRIYHDW-QGZVFWFLSA-N 323.396 2.294 10 10 DECE Nc1ccc(NC(=O)N[C@@H]2CCCC3(CC2)OCCO3)cc1 1876164697 XJBWCDVNGSYOKA-CYBMUJFWSA-N 305.378 2.466 10 10 DECE CCOC[C@H](C)NC(=O)NCCCSc1nccs1 779632079 VHHMXPXXBLHDGL-JTQLQIEISA-N 303.453 2.350 10 10 DECE COC(=O)c1cnc(CNCc2ccc(N(C)C)cc2)s1 894160033 JXCNVBLMVWBHJC-UHFFFAOYSA-N 305.403 2.286 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCCCCN=[N+]=[N-] 1895874807 CHXUWYQDQZIORM-SDDRHHMPSA-N 323.397 2.449 10 10 DECE CCCN(CC(=O)OCC)C(=O)c1ccc(N=NC(N)=O)cc1 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COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](C3CCC3)C2)c1O 840955785 ZINNBGPQZIHMFX-AWEZNQCLSA-N 322.361 2.310 10 10 DECE CC1CCN(c2ccc(CNC(=O)NCC3COC3)cc2)CC1 858204955 OMMIWMOGPCPAKV-UHFFFAOYSA-N 317.433 2.369 10 10 DECE C[C@@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 862027474 UBRHGFNTHDMNJF-YPMHNXCESA-N 300.358 2.372 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCn2cncc2C1 862027021 GZNXFNJHQJRMCR-CYBMUJFWSA-N 322.368 2.016 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2ccc(N)cc2)C[C@H]1O 1895134195 RXPMFNQRDZBMNS-KCPJHIHWSA-N 321.421 2.345 10 10 DECE Cc1nc(O)[nH]c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025241 BRMYFQQNRVSKME-UHFFFAOYSA-N 314.389 2.296 10 10 DECE O=C(NC[C@H]1CCC2(CCC2)CO1)c1c(F)ccc(O)c1O 899465749 FKYSMWARFUWOEG-SNVBAGLBSA-N 309.337 2.316 10 10 DECE C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1O 797071367 RWKPXWRTJGPOKN-NXEZZACHSA-N 301.383 2.148 10 10 DECE CC1CCN(c2ccc([C@@H]3C=C(C(=O)O)NC(=O)N3)cc2)CC1 76257132 HMGHQAUTXRSXPC-AWEZNQCLSA-N 315.373 2.245 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1F 1328022608 BPJZWCPPYZMTEL-CXAGYDPISA-N 321.396 2.070 10 10 DECE C[C@H](NCCc1nnnn1-c1ccccc1)c1ccccc1O 1175419020 RGUZEIMOEGJFCF-ZDUSSCGKSA-N 309.373 2.261 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1cccnc1F 693944958 BXWDNGWOZQTLHV-UHFFFAOYSA-N 302.714 2.381 10 10 DECE Cc1nn(C)c2sc(C(=O)NCc3cc(O)ccc3O)cc12 1471661368 PIBQFGXGGGTFER-UHFFFAOYSA-N 317.370 2.284 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1conc1C(F)(F)F 1545639355 LQNLUOYYSRQIFJ-UHFFFAOYSA-N 302.208 2.035 10 10 DECE CN(Cc1cnccn1)C(=O)c1cc2cc(O)c(O)cc2s1 1628428314 CTDIAEFHSUBHEL-UHFFFAOYSA-N 315.354 2.375 10 10 DECE C[C@H](OCCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1633598780 AGXMUIYNZJDDIB-ZDUSSCGKSA-N 315.369 2.362 10 10 DECE Cn1nc(C(=O)NCc2cccc(Cl)c2O)cc1Cl 1648608361 DNRKLJOXKSTMQE-UHFFFAOYSA-N 300.145 2.363 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1ccn2nccc2n1 1588175334 SVJXJRQYTZJHDN-UHFFFAOYSA-N 310.357 2.487 10 10 DECE COc1ccc2c(c1)CCN(C(=O)Cc1ccc(O)c(O)c1)C2 1584707188 FDGWYRDTXCGAQV-UHFFFAOYSA-N 313.353 2.234 10 10 DECE CC1(C)C(=O)NCCN1c1ccc(CNC2CC2)cc1Cl 164069980 JEGUPASOYJJARG-UHFFFAOYSA-N 307.825 2.307 10 10 DECE O=[N+]([O-])c1cc(CO)ccc1N(CCCO)Cc1ccccc1 1914642398 YKZXBYNTFXTISF-UHFFFAOYSA-N 316.357 2.476 10 10 DECE C[C@H](O)[C@@H]1CCN(c2ccc(CN)c(Br)c2F)C1 231840610 XERDAYKYAQNAFH-WCBMZHEXSA-N 317.202 2.254 10 10 DECE CC(C)(C)OC(=O)N[C@@]1(c2cc([N+](=O)[O-])ccc2O)CCNC1 1952196744 PIZWVPQYYHHQRU-HNNXBMFYSA-N 323.349 2.014 10 10 DECE C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCC(F)(F)C1 2146972107 VCOFVYQGIAOPGV-GFCCVEGCSA-N 304.362 2.266 10 10 DECE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1Cc1ccc(N)cc1 1977898717 YGDTZPSMNZAJQO-ZWNOBZJWSA-N 315.339 2.300 10 10 DECE COC[C@@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977937459 BSKHGTNISFDPTR-KRWDZBQOSA-N 324.421 2.111 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCC(F)(F)C3)c(Cl)cc21 313307849 JDWUJAVNPOJSCF-LLVKDONJSA-N 301.724 2.398 10 10 DECE COCC[C@@H](COC)NCc1ccc(Br)cc1O 691490685 ZXQFKVPSJPUTNR-LBPRGKRZSA-N 318.211 2.296 10 10 DECE Cn1ncc(NC(=O)Nc2ccc(N)cc2)c1Br 694093141 RJGLJWLXUBWXQN-UHFFFAOYSA-N 310.155 2.409 10 10 DECE C[C@H]1CNCCN(Cc2cc(Br)cc(F)c2O)C1 715788790 LUFWWFDJJYPJTL-VIFPVBQESA-N 317.202 2.335 10 10 DECE CN(Cc1c(Cl)cnn1C)c1c(F)cc(CO)cc1F 2168146213 YDDMOWHBYMRXHG-UHFFFAOYSA-N 301.724 2.480 10 10 DECE O=C(O)C1=CCN(Cc2c(O)cccc2Br)CC1 2048897772 WQWVXWRGDQDYOW-UHFFFAOYSA-N 312.163 2.371 10 10 DECE C[C@@H](N)c1ccc(N2CC(O)(C(F)F)C2)c(Br)c1 2052062290 CHGLXDDMBAGVMQ-SSDOTTSWSA-N 321.165 2.285 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(CO)s1 2101572767 AZIDHXDQENIAQZ-UHFFFAOYSA-N 319.791 2.400 10 10 DECE N=C1C(=Cc2coc3ccccc3c2=O)C(=O)N=C2SC=NN12 2296773035 FJAJNDQHDCPAKD-UHFFFAOYSA-N 324.321 2.042 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)c1c(Br)nc(C)n1C 2315987751 ZAMGFYPEJNYOLE-UHFFFAOYSA-N 315.175 2.263 10 10 DECE COC(=O)/C=C/c1ccc(N2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 171047273 PDDFIEOWQNLTOB-HOSRBBHYSA-N 320.345 2.396 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCNC1=O 64099163 KQVSQTYBOHCABS-LBPRGKRZSA-N 317.414 2.164 10 10 DECE CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N(C)C)c(F)c1 305074767 UYEFAAZNIYREMY-LBPRGKRZSA-N 311.401 2.193 10 10 DECE Nc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1 32187414 XVTGCLWZNVFMBH-UHFFFAOYSA-N 302.808 2.462 10 10 DECE CCOCCOCCSCC(=O)c1ccc(O)c(O)c1 2365718198 XNQDWSFVPYNEEM-UHFFFAOYSA-N 300.376 2.067 10 10 DECE FC(F)(F)OCCOc1ccc(N2CCCNCC2)cc1 89056387 MPXOTZKEFYYBFY-UHFFFAOYSA-N 304.312 2.402 10 10 DECE C[C@H](N)c1ccc(N(C)CCN(C)C)cc1Br 235489506 GDAFKOOQTMQNHZ-JTQLQIEISA-N 300.244 2.467 10 10 DECE NCc1ccc2c(c1)N(Cc1cccc3c1CCNC3)CCO2 631829973 GFQXTFPIOFWGOV-UHFFFAOYSA-N 309.413 2.190 10 10 DECE COc1ccc(CNCc2cnnn2Cc2ccccc2)c(O)c1 814170395 WUYNRBDTVBYCDV-UHFFFAOYSA-N 324.384 2.330 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCC[C@@]2(CCCOC2)C1 826610147 NUSXMVPCLICYHH-MRXNPFEDSA-N 309.337 2.270 10 10 DECE CN1CCCc2cc(CNC(=O)N[C@H]3COCC3(C)C)ccc21 836639626 VVEKOJLENCSQKB-INIZCTEOSA-N 317.433 2.293 10 10 DECE CN(CCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 588404157 SYYXLIYUMDHFQC-CLFYSBASSA-N 304.390 2.102 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(O)CCCC(C)(C)C1 831930776 IHBXYJRAPVMVLZ-SGTLLEGYSA-N 321.417 2.476 10 10 DECE CO[C@H]1C[C@H](CC(=O)O)N(Cc2ccc(N(C)C)c(C)c2)C1 846286699 XNDHMHFFCALYFC-CABCVRRESA-N 306.406 2.125 10 10 DECE C[C@@H]1COC[C@H](C)[C@H]1NCc1ccc(N2CCOCC2)cc1 924755850 XNPWVKGLQUIQCL-HWWDLCQESA-N 304.434 2.284 10 10 DECE CCOc1ccc(O)c(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1 850353329 AIVHPEXVBFKNKN-UKPHBRMFSA-N 323.433 2.447 10 10 DECE FCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 862530531 OEFHQOHJEMYWAO-KRWDZBQOSA-N 308.397 2.084 10 10 DECE CC[C@H]1CCN(C(=N)NCc2ccc(N3CCOCC3)cc2)C1 864453263 TXBRBJNEWHAWAR-HNNXBMFYSA-N 316.449 2.279 10 10 DECE C[C@@H](NS(=O)(=O)CCOC(C)(C)C)c1ccccc1O 867834858 PTWNEZKUZFYMCB-LLVKDONJSA-N 301.408 2.188 10 10 DECE COC[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 896512317 WMAPNTLPUOVJHK-VIFPVBQESA-N 307.371 2.421 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CC[C@H]1[C@H](O)C2 899755117 IUSRAGLESGGTFR-INTQDDNPSA-N 319.382 2.298 10 10 DECE O=[S@]1[C@H]2CC[C@H]1CN(Cc1cc(F)cc(F)c1O)CC2 895405928 PKCFESNXUQHUEJ-PVUDRZGPSA-N 301.358 2.156 10 10 DECE CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@]2(CCOC2)O1 794693710 KIHOYQAFPZXMMG-YJBOKZPZSA-N 321.417 2.479 10 10 DECE C[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1ccccc1O 1302530134 BBVIAKWGAPVHBP-SECBINFHSA-N 301.298 2.318 10 10 DECE C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 701866577 DIYPRJDXJCNFIB-NSHDSACASA-N 310.394 2.443 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1N 715765678 JYIZKOPVRRPEEO-CPCISQLKSA-N 303.175 2.073 10 10 DECE CC[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1335572007 GTHACNGUCIMPNU-CYBMUJFWSA-N 316.401 2.273 10 10 DECE CCOC(OCC)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1181878280 UQAYRUDSXHTGLD-JTQLQIEISA-N 322.365 2.366 10 10 DECE CN(c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1)C1CC1 1344472986 YRRABJVYKALJDY-JTQLQIEISA-N 320.418 2.347 10 10 DECE COc1cccc2c(C(=O)NCc3c(O)cccc3F)cnn12 1456026938 CHJFTWSHANMFNP-UHFFFAOYSA-N 315.304 2.118 10 10 DECE COc1ccc(CN[C@H](CNC(=O)[C@H](C)OC)C2CC2)cc1C 1480006623 ONFRHLWLAZPRSE-XJKSGUPXSA-N 320.433 2.023 10 10 DECE CCn1nc(C(C)C)cc1C(=O)NCc1c(O)cccc1O 1635846760 AJYGJZGFRIYNJR-UHFFFAOYSA-N 303.362 2.368 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2nc[nH]c3nccc2-3)c1 1636061023 BTFLXUCWJFQVNZ-SECBINFHSA-N 312.329 2.115 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)ccc2C1 1635430482 ZZWFVMUIFSDPPT-AWEZNQCLSA-N 313.353 2.020 10 10 DECE Cc1cnc2c(c1)N(C(=O)c1c[nH]nc1-c1cccnc1)CCN2 1586630437 LBVBSDZIQKAVFS-UHFFFAOYSA-N 320.356 2.247 10 10 DECE CCNC(=O)CN(CC)c1ccc(/C=C/C(=O)O)cc1Cl 164361899 DVEALBWGDZDBBA-SOFGYWHQSA-N 310.781 2.400 10 10 DECE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 227725393 BWNKYUWEOPGJQT-LBPRGKRZSA-N 310.394 2.491 10 10 DECE C[C@@H](CNCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1929415392 LCAGDFXEKYMTJX-NSHDSACASA-N 310.394 2.143 10 10 DECE CC1([C@H](CO)NCc2ccc(Br)cc2O)CC1 1945340975 FDNIONLDRYXUOK-LBPRGKRZSA-N 300.196 2.405 10 10 DECE CC(C)(C)OC(=O)NC/C=C/CNC(=O)Nc1ccc(N)cc1 1977697422 XCLADJBQCZHYHG-SNAWJCMRSA-N 320.393 2.471 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1Cl 2153844411 DBLUOELPTFYHTP-TVQRCGJNSA-N 317.838 2.405 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C3(CC3)C2)c(Br)c1 2032399492 DMBVLRZTJYTRTE-TVQRCGJNSA-N 311.223 2.430 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Cl)c1 400845052 NFAVAYHDQHTKMF-MXWKQRLJSA-N 316.854 2.372 10 10 DECE C[C@@](O)(CNCc1c(O)cccc1Br)C(F)F 706881064 KRIGQVUGESUKNA-LLVKDONJSA-N 310.138 2.260 10 10 DECE C[C@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Cl 2173195847 ULGRWRGBGXGHEN-JTQLQIEISA-N 317.838 2.264 10 10 DECE CN(Cc1cn(C)cn1)c1ccc(CN)c(Br)c1 2042256190 DVPMOZIJQNBYNG-UHFFFAOYSA-N 309.211 2.278 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)C3O)cc1Br 2052754608 FHKKTVJQMKMVQV-UDAJDXAQSA-N 311.223 2.286 10 10 DECE Nc1ccc(O)c(CNS(=O)(=O)c2ccsc2Cl)c1 2093655836 KKLDGSHGHRQKHX-UHFFFAOYSA-N 318.807 2.168 10 10 DECE COc1ccc(Br)c(CN2C[C@@H](N)C[C@@H]2C)c1O 2220463121 WOGBCWKDUGIQTJ-IUCAKERBSA-N 315.211 2.085 10 10 DECE NC[C@@]12C[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 2259918555 YRXMBGGHMCNGNH-TVQRCGJNSA-N 315.186 2.074 10 10 DECE Cc1cc(Br)nc(NC(=O)c2cccc(O)c2O)n1 2271992778 ABLMEOXFLWCOHJ-UHFFFAOYSA-N 324.134 2.211 10 10 DECE Cc1ccc(CN[C@@H]2C[C@H]2[C@H](C)O)c(O)c1Br 2307472075 CIQFVPUXBRVFDP-INTQDDNPSA-N 300.196 2.322 10 10 DECE Cc1ccc(CN2C[C@H]3CC[C@]3(N)C2)c(O)c1Br 2327790990 XVFDHXRKKAVRHC-RISCZKNCSA-N 311.223 2.386 10 10 DECE CN[C@@](CSc1nccs1)(C(=O)OC)[C@H]1CC1(C)C 2340943568 PXUJILOIXLNTDL-TVQRCGJNSA-N 300.449 2.413 10 10 DECE CCOC(=O)[C@H]1CCN[C@H]1c1ccc(Br)cc1O 1952821441 PFCJVTWGXWBCQJ-JQWIXIFHSA-N 314.179 2.368 10 10 DECE COc1ccc(O)c(CN2CCN(c3cccc(O)c3)CC2)c1 179621306 HRTKCUSULLXWMK-UHFFFAOYSA-N 314.385 2.429 10 10 DECE Nc1ccc(O)c(CNC(=O)COc2ccc(Cl)cc2)c1 36737500 OELKLMNJENCAMV-UHFFFAOYSA-N 306.749 2.323 10 10 DECE Nc1ccc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 71699881 ZEPCZCDSABYCGS-OAHLLOKOSA-N 304.777 2.315 10 10 DECE N[C@@H](c1c(Br)ccc(Cl)c1O)C(F)(F)CO 95716308 AITPKSOUSYLDPR-QMMMGPOBSA-N 316.529 2.436 10 10 DECE CCN[C@](CSc1nccs1)(C(N)=O)[C@@H]1CC12CCC2 2371094641 BLYVYUHVNRJLCO-YGRLFVJLSA-N 311.476 2.259 10 10 DECE CC[C@@H](COC)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255236469 GYSKGQXRCLTECY-HWYHOQROSA-N 318.417 2.078 10 10 DECE OCc1ccc(N2C[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl 2163359445 SHYJPLVFVAMXNR-MWLCHTKSSA-N 309.715 2.439 10 10 DECE CC(C)(C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O 295090978 SDNVQPREHARLGW-JOYOIKCWSA-N 311.353 2.106 10 10 DECE COc1ccc(N2CC[C@@H](CNC[C@@H](O)C(F)(F)F)C2)cc1 819380632 QYGCNXQGLOTDKJ-SMDDNHRTSA-N 318.339 2.034 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)Nc1ccc(N)cc1)C2 818635133 FBHVPUGDVPRPOC-GDLCADMTSA-N 318.377 2.010 10 10 DECE COC(=O)C1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 828669857 SQQRCJZHSLWBMT-AWEZNQCLSA-N 318.417 2.127 10 10 DECE Cc1cnn(C)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 667444698 WTVIUKHEENKSLG-UHFFFAOYSA-N 315.377 2.225 10 10 DECE CN(CCC1CCOCC1)C(=O)/C=C\c1ccc(O)c(O)c1 588407728 KGBOQLSKRHOOIO-HYXAFXHYSA-N 305.374 2.386 10 10 DECE COC[C@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 835048640 WVWGSJJXOGAHLZ-MJRGOJFPSA-N 320.433 2.324 10 10 DECE CNC(=O)NC1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840974340 GUUYGUGFNWICCC-UHFFFAOYSA-N 311.813 2.247 10 10 DECE CN(C)c1ccc(CN2CCn3c(CC4CC4)nnc3C2)cc1 844382713 ZIKFDUDMQINSAS-UHFFFAOYSA-N 311.433 2.312 10 10 DECE COc1ccc(O)c(CN[C@H]2CCCc3c2ccc(=O)n3C)c1 846122702 LLWQHAMWGXGDNG-HNNXBMFYSA-N 314.385 2.267 10 10 DECE COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H]1CCN(c2ccc(OC)cc2)C1 850347496 SMWIVFVCDKZGQJ-WRFANHODSA-N 318.417 2.061 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cnc4n3CCC4)C2)cc1 850346936 LJIGGGJYCLLITH-CQSZACIVSA-N 312.417 2.206 10 10 DECE O=C(C=C1CCNCC1)NCc1c(O)ccc2c1CCCC2 852883950 BXNPWWULHHAUIG-UHFFFAOYSA-N 300.402 2.197 10 10 DECE C[C@H](NC(=O)N[C@H]1C[C@@H](O)C12CCC2)c1ccc(N(C)C)cc1 854004544 TWPNTURGVZVDIW-VBNZEHGJSA-N 317.433 2.416 10 10 DECE OC1CCN(c2ccc(CN[C@H]3CCNC34CCC4)cc2)CC1 925715119 DJKOSOBILHVLHQ-SFHVURJKSA-N 315.461 2.022 10 10 DECE O=C(NCCC1SCCS1)c1c(F)ccc(O)c1O 857335043 QFCJWGGWFFKLKW-UHFFFAOYSA-N 303.380 2.163 10 10 DECE C[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 763337707 BYYLZFYPXZNRJP-YOEHRIQHSA-N 315.417 2.287 10 10 DECE CN(C)c1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1 763476756 ORIXTUDYUGNOOP-UHFFFAOYSA-N 315.377 2.012 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)C34CC(C3)C4)C2)cc1 862035401 SEZMTVUKIXRTAT-VNSJNIRKSA-N 300.402 2.438 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccnc(F)c2)c1 868953789 GJNWGZAUAXPVBD-SNVBAGLBSA-N 319.336 2.495 10 10 DECE COCCOCCN(C)c1ccc(CN)c(Br)c1 386633088 PXWZQXFLSXLFBC-UHFFFAOYSA-N 317.227 2.007 10 10 DECE C[C@@H]1COC[C@H]([C@@H](N)c2ccccc2O)N1C(=O)OC(C)(C)C 1895009520 ZENWRZYCJMCTAW-KYOSRNDESA-N 322.405 2.416 10 10 DECE CCNC(=O)CCC(=O)NCc1c(O)ccc2ccccc12 1157042047 VAURTWYXYUDVQI-UHFFFAOYSA-N 300.358 2.078 10 10 DECE O=C(c1ccc(Cn2cncn2)cc1)N1Cc2cccc(O)c2C1 1302788430 WFHHWXKKIBMPKH-UHFFFAOYSA-N 320.352 2.188 10 10 DECE Cc1cc(CNC(=O)c2cnnn2C)c(C)n1-c1ccccc1 1462086131 PXWNBLOUZFLMHI-UHFFFAOYSA-N 309.373 2.153 10 10 DECE 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[N-]=[N+]=NS(=O)(=O)c1cc(C(=O)O)sc1Br 307272254 DPBWFJOJZGJCQQ-UHFFFAOYSA-N 312.126 2.208 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2[C@H]3CC[C@H]2CC(O)C3)c1O 126613853 RUMUHJJMLJIGIR-QWRGUYRKSA-N 312.753 2.442 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)c1c(N)cccc1O 1953047995 YJIVJEKQNMICPG-INIZCTEOSA-N 308.378 2.457 10 10 DECE CCO[C@H]1C[C@H](NCc2cccc(OC)c2O)C12CCOCC2 185657416 KYOBBBMHFKUSKO-HOTGVXAUSA-N 321.417 2.465 10 10 DECE COc1cccc(CNC(=O)NC[C@H]2CCC(C)(C)O2)c1O 188199073 LITCDTJCHWNZBF-GFCCVEGCSA-N 308.378 2.158 10 10 DECE C[C@H](CS(=O)(=O)NCc1ccc(N)cc1)c1ccccc1 149300446 XUAFKRKAJDFGDX-CYBMUJFWSA-N 304.415 2.492 10 10 DECE Cc1cccc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O 245854397 NDEAECYYMBDQFX-HUUCEWRRSA-N 311.447 2.488 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCCN2CCCC[C@@H]2C)c1O 278634171 HDQJRMXKCJBXOQ-LBPRGKRZSA-N 323.393 2.273 10 10 DECE COC(=O)[C@]1(F)CCN(Cc2cc(Cl)c(F)cc2O)C1 294377494 UQJSBRGWWDBCJM-ZDUSSCGKSA-N 305.708 2.272 10 10 DECE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccc1C 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COc1ccc(N(C)CCN(C)C(=O)/C=C\[C@H]2CCCO2)cc1 844855827 AWWSAJICYSFSEW-QXPKXGMISA-N 318.417 2.325 10 10 DECE CCOc1ccc(O)c(CN[C@H](COC)C2CCOCC2)c1 850350458 CBASUKVNNMBRHO-MRXNPFEDSA-N 309.406 2.322 10 10 DECE C[C@@H](NC[C@@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 927136699 RVSVVVBEWSMSDG-KZULUSFZSA-N 315.417 2.389 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ncoc3C)C2)cc1 855231964 ZHVHPWIKKRXARD-GFCCVEGCSA-N 301.346 2.000 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)(C)N)no2)c1 852885961 VXUPJABFAYIQEX-VIFPVBQESA-N 319.361 2.074 10 10 DECE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1cccc(O)c1O 862301301 DZQRYHIZSHWMIJ-KRWDZBQOSA-N 321.373 2.434 10 10 DECE COc1cccc(O)c1CN1CCC[C@H](C(=O)N2CCCC2)C1 769405254 RQGRIJMTWXSDSR-AWEZNQCLSA-N 318.417 2.235 10 10 DECE C[C@H](NC(=O)N(C)Cc1cnccn1)c1ccc(N(C)C)cc1 776237546 BPMKNNUCUJMAKV-ZDUSSCGKSA-N 313.405 2.445 10 10 DECE CCOc1ccc(O)c(CN2CCC(O)(C(F)F)CC2)c1 779208266 GRZYXCJCVLYGMK-UHFFFAOYSA-N 301.333 2.383 10 10 DECE 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321.373 2.394 10 10 DECE Cn1cccc1[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1440714631 LKDBIDVUDSIHBK-AWEZNQCLSA-N 300.358 2.343 10 10 DECE COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C 1294465294 CCTMEVTVNVJINS-UHFFFAOYSA-N 315.325 2.374 10 10 DECE CCN(C)c1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 1543058917 ZNLSLVCPTZRLPH-UHFFFAOYSA-N 314.385 2.413 10 10 DECE Cc1cc(CC(=O)NCc2nc[nH]n2)c(C)n1-c1ccccc1 1626843439 QETVSILKOXSTPI-UHFFFAOYSA-N 309.373 2.071 10 10 DECE Cc1ccc(OCC(=O)NCc2cc(O)ccc2O)c(C)c1 1558174107 DQZIDLBETMZRFX-UHFFFAOYSA-N 301.342 2.410 10 10 DECE COc1cccc(O)c1C(=O)NCc1ccc(N(C)C)cc1 1624401393 IBSIVJCDPNCJPR-UHFFFAOYSA-N 300.358 2.397 10 10 DECE Cc1ccn2cnc(C(=O)NCCc3ccc(O)c(O)c3)c2c1 1630335620 SAJXSMPXLYCOEK-UHFFFAOYSA-N 311.341 2.026 10 10 DECE O=C(NCc1c(O)cccc1O)[C@H]1COC[C@H]1c1ccccc1 1639292575 IRHHVXAXXCTTMJ-GJZGRUSLSA-N 313.353 2.144 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(CC2CCCC2)C1 1630286774 YVWBEEYIYGVNCX-HNNXBMFYSA-N 318.417 2.021 10 10 DECE COc1ccc(Br)c(CN[C@H](C)C[C@@H](C)O)c1O 1964566219 AAIDOHRDEJPVTG-RKDXNWHRSA-N 318.211 2.412 10 10 DECE COc1ccc(N2CCN(C(=O)c3ccc(C=O)o3)CC2)cc1 1858150178 WRLOMQJMGHDLQM-UHFFFAOYSA-N 314.341 2.063 10 10 DECE CCOc1cccc(CNCC(=O)Nc2ccc(C)cn2)c1O 1857856710 LRJUFXKHYNZBBG-UHFFFAOYSA-N 315.373 2.223 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1900613305 WTIYGLMFWZBXLJ-XHDPSFHLSA-N 323.397 2.402 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 1914609553 UWPGMIFVPVZECK-SJKOYZFVSA-N 311.385 2.026 10 10 DECE CN[C@H](c1ccccc1O)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 1920546636 MGZOBYSFFJULCY-PBHICJAKSA-N 324.421 2.271 10 10 DECE O=[S@]1CC[C@]2(CCCN2Cc2cc(F)cc(F)c2O)C1 2158512064 NKCYKKCVGJIUGY-VLIAUNLRSA-N 301.358 2.157 10 10 DECE C[C@H](O)[C@@H]1CCN1c1ccc(CN)c(Br)c1F 2011136608 DOGWEFKUFJGCSV-CBAPKCEASA-N 303.175 2.006 10 10 DECE O=C(O)[C@H]1C[C@H](F)CN1Cc1ccc(Br)cc1O 2034481442 LAFLUIZEHXTUFI-VHSXEESVSA-N 318.142 2.152 10 10 DECE C[C@H](O)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159809171 LWASNVKZLARMHQ-QMMMGPOBSA-N 305.388 2.323 10 10 DECE CN(CC[S@](C)=O)c1c(F)cc(CNC2CC2)cc1F 399114496 XJKGGYVLDZICPD-FQEVSTJZSA-N 302.390 2.032 10 10 DECE CN1C[C@H]2CC[C@H]1CN2Cc1c(O)cccc1Br 1140101849 BNKZNOQBVDQAGR-WDEREUQCSA-N 311.223 2.433 10 10 DECE CN1C[C@H]2CC[C@H]1CN2Cc1ccc(Br)cc1O 2066590625 RFVQXNYFSLFXIX-QWHCGFSZSA-N 311.223 2.433 10 10 DECE CN1CCc2cc([C@@H](N)c3c(Br)cnn3C)ccc21 2098361922 WHILRPBVBRACBC-CYBMUJFWSA-N 321.222 2.223 10 10 DECE CC(C)[C@](C)(CN)NCc1cc(Br)c(O)cc1O 2256017474 RPLOFFDGSMLELP-ZDUSSCGKSA-N 317.227 2.323 10 10 DECE CSc1ncc(CNCCc2csc(CN)n2)s1 2257136852 STCUAFSIMJEUHR-UHFFFAOYSA-N 300.478 2.113 10 10 DECE CSc1ncc(CNC(=O)N2CCC[C@@H]2CC(=O)O)s1 2284539810 VPXYURHBMWAJDP-MRVPVSSYSA-N 315.420 2.014 10 10 DECE Cc1ccc(CN2CC[C@@H]2[C@H](C)O)c(O)c1Br 2307438639 GODHASRFCKYLKN-GXSJLCMTSA-N 300.196 2.418 10 10 DECE Cc1ccc(CN2C[C@@H]3CCN[C@H]3C2)c(O)c1Br 2327621855 RMQVARZBNXTYOM-JQWIXIFHSA-N 311.223 2.257 10 10 DECE COc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2ccccc2)=N1 6868734 GFKFBYMZYFVIIM-AWEZNQCLSA-N 323.352 2.042 10 10 DECE Cc1cc(CNC(C)(C)C)ccc1N1CCS(=O)(=O)CC1 50560461 GNEQOLJYFWALPA-UHFFFAOYSA-N 310.463 2.118 10 10 DECE COc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1O 92831741 UFYOERQITHGVHK-CYBMUJFWSA-N 306.387 2.431 10 10 DECE CC(C)Oc1cccnc1C(=O)NCCc1ccc(O)c(O)c1 156738460 MEFKMJAJYROGMW-UHFFFAOYSA-N 316.357 2.253 10 10 DECE COC(=O)N1CCC([C@@H](C)NCc2ccc(OC)cc2O)CC1 186358686 GLLLQLPVIZVBGH-GFCCVEGCSA-N 322.405 2.357 10 10 DECE CC(=O)N[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)C1 228306504 UTDFRXZWGRCXJC-OGOUPESXSA-N 308.765 2.153 10 10 DECE CC(=O)N(C(=S)NCc1ccccn1)c1ccc(N)cc1 242944150 HDFYFNZAPUGQTI-UHFFFAOYSA-N 300.387 2.091 10 10 DECE CC[C@@H]1CN2CCC[C@H]2CN1Cc1cc(OC)c(OC)cc1O 248419422 VBSYUGOJGUQDDW-CABCVRRESA-N 320.433 2.468 10 10 DECE Cc1cc(CS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)no1 264656614 ZYBUAVIVYARFSI-UHFFFAOYSA-N 323.418 2.011 10 10 DECE O=C(c1cccc(O)c1O)N1CCC2(CCC(O)CC2)CC1 295340282 HVQXUEJWBUKWPG-UHFFFAOYSA-N 305.374 2.255 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCC=C(Br)C3)ccc21 404412054 PGLNOTPZWFLXSI-CYBMUJFWSA-N 322.206 2.388 10 10 DECE CCCN(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588406848 WHLAUNKWBOGAGV-PKYBCLHXSA-N 318.417 2.301 10 10 DECE CCN(CCS(C)(=O)=O)c1ccc([C@H](C)NC)c(Cl)c1 688453460 JTIDAAGTRKJJQQ-NSHDSACASA-N 318.870 2.491 10 10 DECE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)o1 693916579 YAWLBMMWTKQAGP-UHFFFAOYSA-N 317.706 2.138 10 10 DECE C[C@@H]1CN(c2ccc(CO)c(Br)c2)C[C@@]1(C)CO 703716717 IYHASEMSLHORNW-YGRLFVJLSA-N 314.223 2.396 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2cn(C)nc2OC)c1 789321095 AZPCAAIOOMGZQE-VIFPVBQESA-N 320.349 2.026 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(F)cn1 798245743 NEPVOSAIBKQVDC-UHFFFAOYSA-N 315.348 2.255 10 10 DECE COC1(C(=O)NCc2cc(Br)ccc2O)CCC1 804736116 OBBVMPUZARDVKV-UHFFFAOYSA-N 314.179 2.340 10 10 DECE C[C@]1(C2CC2)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 824385802 BKDSQDMOTIDIPC-MRXNPFEDSA-N 316.361 2.490 10 10 DECE COC[C@H](CC1CCOCC1)NCc1ccc(OC)cc1O 825752471 BETLJBFINNQUCR-HNNXBMFYSA-N 309.406 2.322 10 10 DECE O=C([C@H](O)C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 827557505 OCQSLALDXOUVTD-NVXWUHKLSA-N 319.401 2.061 10 10 DECE C[C@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C1 839499781 TXXACQNOCGOMIQ-LSDHHAIUSA-N 303.450 2.489 10 10 DECE CN1CCCc2cc(CNC(=O)N3C[C@@H]4[C@H](C3)C4(F)F)ccc21 844932960 ARUWXJFBRUUDHA-OKILXGFUSA-N 321.371 2.476 10 10 DECE COc1cccc(CNC(=O)NCCCN(C)CC(C)C)c1O 845309553 JCWVSNPGMUQXHE-UHFFFAOYSA-N 323.437 2.178 10 10 DECE O=S(=O)(c1ccc2c(c1)CCO2)N1Cc2cccc(O)c2C1 867690416 STZJVXKURZTWPT-UHFFFAOYSA-N 317.366 2.032 10 10 DECE O=C(Cn1ccc(C(F)(F)F)n1)N1Cc2cccc(O)c2C1 871199452 QANZAHDHQMBTNH-UHFFFAOYSA-N 311.263 2.150 10 10 DECE CC(=O)NC[C@H](CC(=O)N1Cc2cccc(O)c2C1)CC(C)C 871204335 COIVRWZOUPXAQB-AWEZNQCLSA-N 318.417 2.423 10 10 DECE CC1(C)COC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 894202010 BAUFULJSJUFBKK-GOSISDBHSA-N 318.461 2.410 10 10 DECE COC(=O)[C@H](CC1CCOCC1)NCc1ccc(N(C)C)cc1 895590753 LAWLUMWENYNCEI-KRWDZBQOSA-N 320.433 2.201 10 10 DECE CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(O)cc1O 910945375 UDZSCUWLSYTMMZ-NSHDSACASA-N 303.362 2.124 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2CC2CC2)cc1 913926763 MCTNIUHJQIAMRL-QGZVFWFLSA-N 317.433 2.463 10 10 DECE Cc1cc(CC(=O)NCc2cnc(O)[nH]2)c(C)n1-c1ccccc1 1160386488 AWGHNFXDQNBRMQ-UHFFFAOYSA-N 324.384 2.382 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cnnc(-c2ccccc2)c1 1176756042 VVSPFBLDUJYKKP-UHFFFAOYSA-N 321.336 2.485 10 10 DECE CCC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1288334483 IQQPUPROPKSQRB-SJLPKXTDSA-N 315.461 2.491 10 10 DECE CCn1nc(C)c(C(=O)NCc2cc(O)ccc2O)c1Cl 1303225217 BRYXIGHGHZPLAR-UHFFFAOYSA-N 309.753 2.206 10 10 DECE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2cccc(Cl)c2O)C1 1348312890 YPGVNIVRTBMJMA-OUCADQQQSA-N 323.824 2.185 10 10 DECE CC(C)[C@H](NC=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351178935 VNBPOADRZPEWNN-KRWDZBQOSA-N 317.433 2.016 10 10 DECE C[C@@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)c1ccccc1O 1557968254 WARIBQVHTOQISH-IAQYHMDHSA-N 310.353 2.097 10 10 DECE Cn1c(CNC(=O)c2c(F)ccc(O)c2O)nc2ccccc21 1558913186 ZJVFQULZFTUDDI-UHFFFAOYSA-N 315.304 2.054 10 10 DECE CC(=O)CC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1 1611432051 VSDDBMKBECACMP-LLVKDONJSA-N 305.374 2.294 10 10 DECE Cn1nnc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc21 1640919739 ACFSHCTZUSRNIW-UHFFFAOYSA-N 316.748 2.257 10 10 DECE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2cn[nH]c2)cc1C 1674632385 AKDVJQQMNCXZPO-QWHCGFSZSA-N 316.405 2.023 10 10 DECE Cc1c(OCCF)c(=O)ccn1CCOc1ccc(N)cc1 1857919433 HBWCFYIWYKMRFT-UHFFFAOYSA-N 306.337 2.166 10 10 DECE C[C@]1(CO)C[C@H](NCc2cccc(Br)c2O)C1 1876197182 ZWRHFVSWSGOIDK-MJHDQNEOSA-N 300.196 2.405 10 10 DECE O=C(O)[C@H]1CCN[C@H]1c1cc(Br)cc(F)c1O 1952850748 FMXMGVHZDNMQDC-IMTBSYHQSA-N 304.115 2.029 10 10 DECE OC[C@H]1C[C@](F)(CNCc2cc(Br)ccc2O)C1 1974387716 TXUQOIAMYSLOTP-SWZMTVOYSA-N 318.186 2.355 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(N)cc1 1977682078 LAMOCJIMQXSQQZ-HNNXBMFYSA-N 320.437 2.232 10 10 DECE OC[C@H]1C[C@H]1CNCc1cc(Br)cc(F)c1O 2005983551 WPUOXGUUCWBQIK-IONNQARKSA-N 304.159 2.012 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1CCOC[C@H]1F 2013769964 OLAQWPNJSDRDFB-MNOVXSKESA-N 304.159 2.371 10 10 DECE NCc1ccc(N2CC3(CC=CCO3)C2)cc1Br 2033920383 CDMFIGLHXKUIKV-UHFFFAOYSA-N 309.207 2.443 10 10 DECE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(CO)cc1Br 2054304371 OBMQZKJARJDVEM-CNDDSTCGSA-N 312.207 2.270 10 10 DECE O=C(O)[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1F 2057025566 MPLJPWBIBBYTQL-WCBMZHEXSA-N 318.142 2.009 10 10 DECE CC(C)C[C@@H](C(=O)Nc1ccc(O)c(O)c1)N1CCCCC1=O 2062398261 LPHJGHCXSXKNOY-ZDUSSCGKSA-N 320.389 2.464 10 10 DECE C[C@@H](N)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)c(Br)c1 2067428851 WCRHZIQZQALIKE-USWWRNFRSA-N 310.239 2.362 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2151275491 XMYBXLOQVCZBDP-BHDSKKPTSA-N 315.822 2.017 10 10 DECE C[C@H](c1cscn1)N(C)S(=O)(=O)Cc1ccc(N)cc1 2155707253 IGEVHMGLBDEYMU-SNVBAGLBSA-N 311.432 2.248 10 10 DECE Nc1cc(S(=O)(=O)Nc2ccc(O)cc2)cc(F)c1F 2191775156 ZJIJXELRPFUFQY-UHFFFAOYSA-N 300.286 2.053 10 10 DECE C[C@@H](O)c1cc(F)c(N2CCSC[C@H]2CCO)c(F)c1 2194514866 FMBQAJZRZUMALF-MWLCHTKSSA-N 303.374 2.322 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)CNC(=O)OCc1ccccc1 2209150924 HOKMESRCPZZWHT-OLZOCXBDSA-N 317.349 2.260 10 10 DECE CCOC(=O)C1(NCCCN=[N+]=[N-])CSCCSC1 2228760645 UIFFIIIRAZIEQA-UHFFFAOYSA-N 304.441 2.058 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cnnc(Br)c1 2260919458 UFBJMGSSANFDCM-YUMQZZPRSA-N 311.143 2.200 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)s1 2284501987 VQSIYJOWRUJRDV-DTWKUNHWSA-N 314.432 2.372 10 10 DECE OC[C@H]1C[C@H](NCc2cc(Br)ccc2O)[C@@H]2C[C@H]12 2309228134 CCTLWXNHVXWWBE-JHEVNIALSA-N 312.207 2.261 10 10 DECE O=C(O)C[C@H]1C[C@H]1CNCc1c(O)cccc1Br 2314297002 CTKHXNVKLSDXQO-BDAKNGLRSA-N 314.179 2.355 10 10 DECE Cc1ccc(Cn2cc([C@H](C)N)nn2)c(O)c1Br 2327537741 WKYBIPPDKPBOIN-QMMMGPOBSA-N 311.183 2.123 10 10 DECE Cc1ccc(CN=c2cc[nH]cc2N)c(O)c1Br 2327587141 VOUSOJOKVLYZBK-UHFFFAOYSA-N 308.179 2.474 10 10 DECE CO[C@H](C)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 191422346 WEQQRYNAONIMCD-LLVKDONJSA-N 323.348 2.227 10 10 DECE N=[N+]=CC(=O)C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 96291050 FZGYKAXNGRCXMI-INIZCTEOSA-N 320.328 2.293 10 10 DECE CCCCCNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 243023451 HYSHBJXUXROSBY-UHFFFAOYSA-N 319.405 2.437 10 10 DECE Cc1c(/C=C\C(=O)N(CCN(C)C)c2ccccc2)cnn1C 255148507 MIDJKXALBZEATG-KHPPLWFESA-N 312.417 2.337 10 10 DECE Cn1nccc1C1=CCN(Cc2cc3c(cc2O)OCO3)CC1 285110309 OCRSETWVJLKDIS-UHFFFAOYSA-N 313.357 2.144 10 10 DECE CN1C[C@@H]2[C@H](CCN2Cc2cc(Br)ccc2O)C1 814173670 NXRAVEANTIESRT-ZWNOBZJWSA-N 311.223 2.291 10 10 DECE CC[C@H](C)[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1 575289445 XNUKFONEGUEFJO-NHYWBVRUSA-N 323.393 2.301 10 10 DECE Cc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1N(C)C 815099850 GGZMPQXXOGGDNE-UXLLHSPISA-N 301.434 2.147 10 10 DECE Oc1cc(Br)ccc1CN1C[C@H](O)CC(F)(F)C1 825657164 BQPBRGKSYXIOIL-SNVBAGLBSA-N 322.149 2.357 10 10 DECE Cc1cc(N(C)C)ccc1CNCC[S@@](=O)CC(F)(F)F 826868834 XBXGCXPEZPNZSO-OAQYLSRUSA-N 322.396 2.462 10 10 DECE Cc1cn(C)nc1NC(=O)NCCCSc1nccs1 826054612 ZPMKVVBUVYKTLP-UHFFFAOYSA-N 311.436 2.489 10 10 DECE C[C@@H]1OCC[C@H]1N(C/C=C/c1ccc(N(C)C)cc1)CCO 835055683 XLVKTDFAUPHBKP-PUBSZHEZSA-N 304.434 2.238 10 10 DECE COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](N)C2)c1 903984331 UIBMGAYLGQEFBS-NEPJUHHUSA-N 304.312 2.112 10 10 DECE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911492803 JNJJKUCFCOAYBP-VZZFWQQMSA-N 303.358 2.098 10 10 DECE COC(=O)C[C@@H]1COCCN1Cc1c(O)cc(C)cc1Cl 840945333 JNCSYDLMZXAQLC-LLVKDONJSA-N 313.781 2.118 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)c3nonc3C)C2)cc1 926680843 SMFDZXCRBURWHG-AAEUAGOBSA-N 302.378 2.316 10 10 DECE Cc1cc(=O)c(C(=O)NCc2c(O)cccc2F)cn1C1CC1 928707122 AJRSGSHGFJGQPE-UHFFFAOYSA-N 316.332 2.266 10 10 DECE CCn1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1=O 868553570 IKGHXOFEEMLSEA-LBPRGKRZSA-N 315.373 2.134 10 10 DECE C[C@@H](NC(=O)c1cccc2ncnn12)c1ccc(N(C)C)cc1 775403457 JCSNYSYGISVSBC-GFCCVEGCSA-N 309.373 2.286 10 10 DECE CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1148553045 LALVJNCUUQFHRO-SNVBAGLBSA-N 320.349 2.167 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1Nc1ccc(N)cc1 1959362812 HPVOYIZPLUVHTK-KBPBESRZSA-N 307.394 2.363 10 10 DECE O=C(CCc1ccc2c(c1)CCO2)NCc1c(O)cccc1O 1156880973 KFHXXMSOTHRRIC-UHFFFAOYSA-N 313.353 2.282 10 10 DECE CC(C)Oc1ncccc1C(=O)NCc1cc(O)ccc1O 1176755027 KSAOWHYIMPRTAV-UHFFFAOYSA-N 302.330 2.210 10 10 DECE CCn1cnnc1CNCc1ccc(Br)cc1O 691460428 ANIWQWUXIKBMDI-UHFFFAOYSA-N 311.183 2.056 10 10 DECE CCN1CC[C@H](N(C)c2ccc(CN)cc2Br)C1 688580450 AXWYWEBIHPUWRW-LBPRGKRZSA-N 312.255 2.438 10 10 DECE C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H](O)CO 1332697774 MAVHSIXQJOOJQD-RHSMWYFYSA-N 301.386 2.309 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](F)COC 1513794541 CLLGZQCPYKUFRW-CYBMUJFWSA-N 322.384 2.167 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1 1299647570 XCXFHCRMPDQILJ-CYBMUJFWSA-N 316.361 2.369 10 10 DECE C[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)c1ccccc1O 1454808445 WBDDMQZOYZHCGK-GFCCVEGCSA-N 308.341 2.464 10 10 DECE C[C@@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1454808780 XSJFMDIEPOUYGI-KGYLQXTDSA-N 320.389 2.483 10 10 DECE CC(=O)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 1663792817 IGGUNWHTXHNBHZ-UHFFFAOYSA-N 317.366 2.299 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc2oc(S)nc2c1 1593739867 YKYDVXVQLAXOTQ-UHFFFAOYSA-N 316.338 2.458 10 10 DECE CN(C[C@](C)(O)[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1920256080 RBDHXZOEBXFTOP-BBRMVZONSA-N 310.394 2.010 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@](C)(c2ccc(O)cc2O)C1 1952061473 JCVDPCHNMVUORN-MRXNPFEDSA-N 308.378 2.153 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)CC[S@@]1=O 1970337316 BLQMIFWKKUDPIJ-XYZCENFISA-N 318.236 2.108 10 10 DECE CC[C@H](NC[C@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1985771715 LQUAYKNCUOMLHV-JSGCOSHPSA-N 324.421 2.319 10 10 DECE C[C@@H](NCc1cccc(Cl)c1O)[C@H]1CCCS(=O)(=O)C1 2146099431 DHQPFTMWNQPORO-PWSUYJOCSA-N 317.838 2.349 10 10 DECE N[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]12 2000286486 DVEOQXPEPQUINT-JZYVYDRUSA-N 317.614 2.197 10 10 DECE C[C@@H](N)c1ccc(N2CC(N3CCC3)C2)c(Br)c1 2034797018 GZTDYSNPNVFBEG-SNVBAGLBSA-N 310.239 2.363 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)CCCC(F)(F)F)C1 403675157 RJKSLVUOSHQONW-MRVPVSSYSA-N 300.306 2.433 10 10 DECE CN(Cc1cnccn1)c1ccc(CN)c(Br)c1 703806941 TXZYJTHGALAWOU-UHFFFAOYSA-N 307.195 2.334 10 10 DECE C[C@@H](C(N)=O)N(C)[C@@H](C)c1cc(Br)ccc1O 711139568 HSRKZTXFKDVPFS-YUMQZZPRSA-N 301.184 2.021 10 10 DECE COc1cccc(O)c1[C@H](C)n1nc(C)cc1C(=O)NC1CC1 2070083603 GSIOHSAXWYLFLQ-NSHDSACASA-N 315.373 2.407 10 10 DECE CN(CC1[C@@H]2COC[C@@H]12)c1ccc(CO)c(Br)c1 2054305523 ABJZPQLGULUXON-STQMWFEESA-N 312.207 2.270 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2057004642 DKSVPKFOLSDIBA-PEXQALLHSA-N 317.202 2.235 10 10 DECE O=C(O)[C@H]1CC=CCN1Cc1c(O)cccc1Br 2081031770 HFORMGJTEYOONH-LLVKDONJSA-N 312.163 2.370 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CN)c(Cl)c1 2114156106 HAQYQTANJJYCRJ-SNVBAGLBSA-N 304.843 2.058 10 10 DECE CCn1c(O)nnc1Sc1ncc(CNC2CCC2)s1 2239987660 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COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCNC23CCC3)c1 529367156 QATOUKWFUDMVSO-XHDPSFHLSA-N 319.405 2.046 10 10 DECE Cc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)c1 368212674 PJIGGIPWQVGOCW-BBRMVZONSA-N 318.417 2.131 10 10 DECE NC(=O)C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 295243757 FGGLGIHCGRUKQL-VIFPVBQESA-N 300.761 2.272 10 10 DECE Cc1c(C(=O)NCc2cc(Cl)ccc2O)nn2c1OCCC2 846476884 PJAOTOORGHELHK-UHFFFAOYSA-N 321.764 2.263 10 10 DECE CN(C)c1ccc(CNC(=O)CN2CC[C@]3(C2)CC3(F)F)cc1 844471695 RBIUUPXPNQEHBD-MRXNPFEDSA-N 323.387 2.100 10 10 DECE CNC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 923424145 OJONQCFRLNHHKP-GOSISDBHSA-N 303.450 2.097 10 10 DECE COC(=O)[C@H](CNC(=O)c1cc(O)cs1)Cc1ccccc1 927944486 JTRUQNNLMQIJQS-LBPRGKRZSA-N 319.382 2.215 10 10 DECE CCN(C)c1ccc([C@@H](C)N[C@@H]2CCc3nnn(C)c3C2)cc1 927152449 USALDCFUBLAOCF-UKRRQHHQSA-N 313.449 2.479 10 10 DECE COCc1n[nH]c(CNCc2cc(Cl)cc(Cl)c2O)n1 850360734 OORREJPCLDXXSH-UHFFFAOYSA-N 317.176 2.253 10 10 DECE Cc1ccc(C(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)c(O)c1O 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C[C@@H]1C[C@@]2(CCO1)C[C@@H]2C(=O)OCC(=O)c1ccc(O)c(O)c1 784709277 HYCYVLJOJARIQD-HSOHIQCKSA-N 320.341 2.029 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1137346939 QYEXWWSCRVJRHT-OLZOCXBDSA-N 304.390 2.032 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 1141731027 PCGUBEZBVQCWDG-RDJZCZTQSA-N 317.385 2.200 10 10 DECE O=C(NCc1ccc(O)cc1O)C1=NO[C@@H](c2ccccc2)C1 1142529734 CKMARPTZCIQKCS-MRXNPFEDSA-N 312.325 2.232 10 10 DECE C[C@H](NCc1cccc(Cl)c1O)C1CCS(=O)(=O)CC1 898219168 WAEUXUMYNPSGIM-JTQLQIEISA-N 317.838 2.349 10 10 DECE CNC(=O)NC[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 1175362230 SJFLQWPOCSASTI-MRXNPFEDSA-N 318.465 2.345 10 10 DECE CC[C@@H](C(=O)O)N(C)Cc1c(O)cccc1Br 706621690 KFODXFCJBVCDCR-JTQLQIEISA-N 302.168 2.450 10 10 DECE Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Br)c1 88827264 RCQXPZVBASFQTR-UHFFFAOYSA-N 318.130 2.227 10 10 DECE CN(C)c1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1F 1331565870 PVYRWCKOHFESDM-HNNXBMFYSA-N 322.424 2.255 10 10 DECE CO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1629958319 JQLAGXAPYTWEHX-INIZCTEOSA-N 319.332 2.283 10 10 DECE CCN(CC)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1490361016 ZSMDJVQZMURCEG-UHFFFAOYSA-N 305.382 2.311 10 10 DECE O=C(N[C@H](c1ccccc1)c1nc[nH]n1)c1cc(O)cs1 1637810915 HSWHEFLQAVOCMY-GFCCVEGCSA-N 300.343 2.091 10 10 DECE O=C(NCc1c(O)cccc1O)c1nc2cnccc2s1 1645363171 OZFZZSSTKJOQPB-UHFFFAOYSA-N 301.327 2.033 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)C2CCOCC2)cc1C 1732941628 IXZPYQKZJYSQQS-CQSZACIVSA-N 320.433 2.025 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@]2(C)CCOC2)cc1C 1690634215 SXJUHHJISNMETR-RDTXWAMCSA-N 320.433 2.025 10 10 DECE C[S@](=O)CCn1c(-c2ccccc2)cnc1SCC(=O)O 158914017 FIDQZKVNHPQSFE-OAQYLSRUSA-N 324.427 2.105 10 10 DECE CS[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235226528 NYMDPVQRBOYQOQ-UONOGXRCSA-N 314.476 2.362 10 10 DECE C[C@H](N[C@H]1C[C@@H](CS(C)(=O)=O)C1)c1ccc(F)cc1O 1974490325 JMHFYWUWOZPGNW-JBLDHEPKSA-N 301.383 2.005 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]21 1985095055 YEXRZSXWUXTENT-HUVAQWKNSA-N 323.397 2.304 10 10 DECE O=C1Nc2cc(N3CC(C(F)(F)F)C3)c(Cl)cc2[C@H]1O 2152265611 DTCAUBQYTGBABP-SNVBAGLBSA-N 306.671 2.324 10 10 DECE CNCc1ccc(N2C[C@H](CO)C[C@H]2C)cc1Br 2038885543 NSHYBSNTYDAIRA-GHMZBOCLSA-N 313.239 2.376 10 10 DECE Nc1ccc(OCc2nnc3ncc(Br)cn23)cc1 690900017 LDYHUYBRYCBKKN-UHFFFAOYSA-N 320.150 2.048 10 10 DECE C[C@@H]1OCCO[C@H]1CN(C)c1cc(Cl)c(CN)cc1F 2177390502 LCNALPHBQCPNHQ-XPTSAGLGSA-N 302.777 2.178 10 10 DECE CO[C@H]1COC[C@@H]1N(C)Cc1ccc(Br)cc1O 2057169353 NWBMAWFVUOSGJA-AAEUAGOBSA-N 316.195 2.000 10 10 DECE Oc1c(F)cc(Br)cc1CN1CC[C@H]2CNC[C@H]21 2068563706 WVSHWDNPYOZNQB-QPUJVOFHSA-N 315.186 2.088 10 10 DECE NC[C@@]12CC[C@H]1CN(Cc1ccc(Br)cc1O)C2 2081577645 AQHOOFARHDIBQA-SMDDNHRTSA-N 311.223 2.325 10 10 DECE CN(C)C1CC2(C1)CN(c1ccc(CN)c(Br)c1)C2 2108170801 RODYFIIUTAMOPV-UHFFFAOYSA-N 324.266 2.438 10 10 DECE NCc1ccc(N2CC[C@]3(O)C[C@@H]3C2)c(F)c1Br 2254026033 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VKOYXLYDNHTWMV-UHFFFAOYSA-N 313.445 2.341 10 10 DECE CN(Cc1ccccc1O)C(=O)c1ccccc1Cn1ccnn1 1566304041 PGWIVVQNDDCBGV-UHFFFAOYSA-N 322.368 2.304 10 10 DECE O=C(NCc1c(O)cccc1O)c1cccc2ccc(O)nc12 1645363084 MFAXFXOOSKVRLH-UHFFFAOYSA-N 310.309 2.282 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)nc1 1652623665 ZCOQGKGXDBCYOE-UHFFFAOYSA-N 312.247 2.442 10 10 DECE COc1cc(C(=O)NCc2c(O)cccc2O)cc(OC)c1C 1652622906 JBAFJUVOSHDTHD-UHFFFAOYSA-N 317.341 2.353 10 10 DECE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 1585254941 QZYMNUAOZPEPSL-ROJDOSBLSA-N 322.364 2.473 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)COC(C)(C)C)cc1C 1690568905 PSUAPXHYCFOLNS-CQSZACIVSA-N 322.449 2.413 10 10 DECE Cc1ccc(NC(=O)CN2C(=O)[C@H](C)SC2=S)cc1C 11635372 JMFVHJVWRWNITR-JTQLQIEISA-N 308.428 2.491 10 10 DECE CN1C(=O)/C(=C\c2ccccc2OCCC(=O)O)SC1=S 16905295 RIIRMWCLVQALQQ-DHZHZOJOSA-N 323.395 2.371 10 10 DECE O=C(O)[C@@H]1CC12CN(Cc1cc(Br)ccc1O)C2 1914760363 DKKJDJWZKWBBDH-JTQLQIEISA-N 312.163 2.061 10 10 DECE CC(C)[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1920263976 MJCPUMKOLOECKE-WMLDXEAASA-N 324.421 2.304 10 10 DECE CC(C)(C)OC(=O)NC/C=C/CNCc1cccc(O)c1O 227760383 CUXFQUYATBOVBH-SNAWJCMRSA-N 308.378 2.268 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Sc2nccs2)C1 1928632197 XVCHNIPBEDMUQM-IUCAKERBSA-N 302.421 2.215 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cnc(Br)s2)C1 1985864557 XBHYLWSXRVIJBD-RXMQYKEDSA-N 302.157 2.430 10 10 DECE NCc1ccc(N2CCn3nccc3C2)cc1Br 2028143601 PXCFBBRDHWXTRQ-UHFFFAOYSA-N 307.195 2.125 10 10 DECE [N-]=[N+]=NCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 404208922 VNWQFBGIXFEXEV-JKSUJKDBSA-N 301.394 2.272 10 10 DECE O=[S@]1CC[C@]2(CCCN2Cc2ccc(F)c(F)c2O)C1 2158510515 FKVKXNRFLNANSZ-VLIAUNLRSA-N 301.358 2.157 10 10 DECE C[C@@H](C[C@H]1CCCS1(=O)=O)NCc1cc(Cl)ccc1O 2156774149 BJHPAZJFOGOKHJ-GXFFZTMASA-N 317.838 2.491 10 10 DECE CN([C@@H]1CCCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2160497480 FSKANDKDPAYMJS-GFCCVEGCSA-N 304.362 2.218 10 10 DECE O=C(c1ccc(O)c(O)c1)N1CC2(CN(Cc3ccccc3)C2)C1 706773419 FAMUQAHSWQBZRI-UHFFFAOYSA-N 324.380 2.056 10 10 DECE CC(C)S[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382919303 ICBGBSWMKJCOAY-CQSZACIVSA-N 314.476 2.315 10 10 DECE CN(CC12CCN(CC1)C2)c1ccc(CN)c(Br)c1 715800552 ZHUVIYAXJPNFJZ-UHFFFAOYSA-N 324.266 2.440 10 10 DECE Cc1nc(=NCCOc2ccc(N)cc2)[nH]cc1Br 396652504 KPHOCDLSBXGTEP-UHFFFAOYSA-N 323.194 2.043 10 10 DECE NCc1ccc(N2CCOC[C@H]2C(F)F)cc1Br 2055451721 DIKVZSGQVNHBBD-NSHDSACASA-N 321.165 2.378 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@@H]32)c(F)c1Br 2057973600 SJJJCWSNBANBHQ-LSJOCFKGSA-N 315.186 2.006 10 10 DECE CN1CCc2cc([C@H](O)c3cnn(C)c3Br)ccc21 2106792951 IVLBRMZPIOSQMI-ZDUSSCGKSA-N 322.206 2.257 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(C(=O)CCNC(=O)OCc2ccccc2)C1 2209252831 IZAYBCTXDIVPKG-CYBMUJFWSA-N 317.349 2.214 10 10 DECE CO[C@H]1CC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2230976736 XLYNZBIYAUVNMG-PELKAZGASA-N 305.783 2.212 10 10 DECE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2293039570 NOXFPQYJWMPYFL-ZETCQYMHSA-N 309.368 2.067 10 10 DECE C[C@]1(N)CN(Cc2cc(Br)ccc2O)CC1(F)F 2315155393 WIZIZHPPBNXMNW-NSHDSACASA-N 321.165 2.323 10 10 DECE C[C@@H](O)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319425805 RDGJCEZNURXKDB-IWSPIJDZSA-N 307.462 2.254 10 10 DECE COc1ccc(C=C2C(=O)N(C)N=C2C(F)(F)F)cc1OC 2332140274 RJFGYNXCVYAWPU-UHFFFAOYSA-N 314.263 2.478 10 10 DECE Cc1ccc(CN2CC([C@@H](F)CO)C2)c(O)c1Br 2327629843 QMTKBLKTIQJYQC-NSHDSACASA-N 318.186 2.225 10 10 DECE Cc1ccc(CN2C[C@@H](C)[C@@H]2C(=O)O)c(O)c1Br 2327796033 ANSBYEFUWWFMFJ-LDYMZIIASA-N 314.179 2.368 10 10 DECE CCO[C@@H]1C[C@](CO)(NCc2ccc(OC)cc2O)C1(C)C 186591390 UKZIHJJGODBRPH-NVXWUHKLSA-N 309.406 2.057 10 10 DECE C[C@@H]1CN(c2ccc(CN)cc2Br)C[C@@H]1N(C)C 212917677 QBDVGRIQXAIBJF-YGRLFVJLSA-N 312.255 2.294 10 10 DECE COc1cccc(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1O 73722937 VNHBEZGRPHLNDR-AWEZNQCLSA-N 323.437 2.176 10 10 DECE Cc1cc(I)cc([C@H](N)CCCO)c1O 238545581 KKYCBWOGWQPWKL-SNVBAGLBSA-N 321.158 2.078 10 10 DECE Cc1cc(/C=C\C(=O)Nc2nnn[nH]2)c(C)n1-c1ccccc1 255134596 GTAVQWMYKZEWKW-HJWRWDBZSA-N 308.345 2.259 10 10 DECE CN(C)c1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1 366973840 CFJYBSOHPPGMII-HNNXBMFYSA-N 311.433 2.504 10 10 DECE CCN(CCS(C)(=O)=O)Cc1cc(Cl)c(F)cc1O 294200387 KTNFZFQNODMRPT-UHFFFAOYSA-N 309.790 2.051 10 10 DECE NC(=O)c1cc(Br)c(O)c(CN2CCCCC2)c1 642880416 QLLRAQXZBJJSPI-UHFFFAOYSA-N 313.195 2.240 10 10 DECE Cc1ccncc1CCNCc1ccc(N2CCN(C)CC2)cc1 850355065 CPFNSLIZPSANTJ-UHFFFAOYSA-N 324.472 2.474 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCNC3=O)c2C)c1 855146310 SXTCGANYRJQIBH-INIZCTEOSA-N 311.385 2.021 10 10 DECE CCn1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 850347055 MSBIXVRUUFWFDQ-HNNXBMFYSA-N 300.406 2.280 10 10 DECE O=C(NCc1ccccc1O)NCc1cccc2c1CCOC2 868971280 JKNBURKSPFJSBG-UHFFFAOYSA-N 312.369 2.464 10 10 DECE O=C(CCOCC1CC1)NCc1ccc2cccnc2c1O 862027373 PXCHTLRSFGAOSQ-UHFFFAOYSA-N 300.358 2.373 10 10 DECE C[C@H]1c2ccccc2CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119022680 GUUPGDYPTKWUMR-LBPRGKRZSA-N 322.364 2.338 10 10 DECE C/C=C\C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OCC 763360996 ISICHEAAMYTWET-KTLBGCOUSA-N 307.346 2.108 10 10 DECE COC(=O)c1c(CNC[C@H](C)CCO)c2cc(F)ccc2n1C 894308751 FKDAZEIAYBQRSH-LLVKDONJSA-N 322.380 2.212 10 10 DECE Oc1c(Br)cccc1CNC[C@H]1CCC[C@H]1O 89164735 NGVOGVACGLWQNK-BXKDBHETSA-N 300.196 2.405 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C 1317238432 ITNIJFUNSMBIQT-WCQYABFASA-N 312.360 2.253 10 10 DECE C[C@@H]1C[C@@H]1N1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O 1329711197 VFLONOVTBNUNSX-HCKVZZMMSA-N 323.387 2.130 10 10 DECE COC(=O)c1nc(C(=O)N[C@H](C)c2ccccc2O)cs1 1454808485 WMIVIUSFHGWFEV-MRVPVSSYSA-N 306.343 2.126 10 10 DECE CC(=O)O[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1457725372 WUFKWMCABNTIEM-ZDUSSCGKSA-N 318.333 2.017 10 10 DECE Cn1cnc(/C=C\C(=O)Nc2c(Cl)ccc3nonc23)c1 1520359120 KOEAHBLBGTZHJJ-DJWKRKHSSA-N 303.709 2.262 10 10 DECE COc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC 1458273255 CNLMYWARDUNXAV-NWDGAFQWSA-N 322.361 2.475 10 10 DECE C[C@H]1Cc2n[nH]cc2CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1471819349 VXXHGOWRXFMJFE-MZBZXASESA-N 313.357 2.055 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CCC=CO3)CC2)cc1 1622438542 XYLQULCETGFICA-MRXNPFEDSA-N 302.374 2.037 10 10 DECE O=C(NCc1c(O)cccc1O)c1ncnc2sccc12 1647291358 YOKQRVWUECYGCY-UHFFFAOYSA-N 301.327 2.033 10 10 DECE Cn1ncc(CNCc2c(O)cccc2F)c1Br 1964575528 GOYGIWWPDCVSTR-UHFFFAOYSA-N 314.158 2.317 10 10 DECE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN=[N+]=[N-])C1C[C@@H]2C[C@H]2C1 1965101531 FBMRCXALFAKJJD-NHCYSSNCSA-N 323.397 2.352 10 10 DECE O=C(CCn1c2c(c3ccccc31)CCCC2)NC1=NCCO1 1850707776 ONATZYCEYGZEJD-UHFFFAOYSA-N 311.385 2.413 10 10 DECE CON1CCN(c2ccc([C@H](C)O)cc2Br)CC1 1915550883 HOWBIXNLKSBWMP-JTQLQIEISA-N 315.211 2.186 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C(C)(C)C1 1985094773 UEWRYJWKUULDHU-LLVKDONJSA-N 323.397 2.401 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 1985095210 APIDPVJHEAYDPP-GRYCIOLGSA-N 323.397 2.449 10 10 DECE CC(C)(C)NCc1cnc(Sc2nc(O)cc(O)n2)s1 2155334591 ONLJNGXNAYHXNG-UHFFFAOYSA-N 312.420 2.384 10 10 DECE CC(F)(F)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 2160117206 UZPOAVVVJUNAJX-LBPRGKRZSA-N 304.362 2.218 10 10 DECE C[C@H](NCc1c(O)cccc1Br)c1cn(C)nn1 720596682 SLPRUMWRLUSZIG-QMMMGPOBSA-N 311.183 2.134 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC[C@H]3C(F)F)c(Cl)cc21 2171882346 LSLYXWZJBQNMNS-GXSJLCMTSA-N 301.724 2.396 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2C[C@@H]3O)cc1Br 2052013997 KOOHVAOJFWPTQI-AQWVNGNSSA-N 312.207 2.462 10 10 DECE CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1ccc(CN)cc1Br 2056397770 QHCFXJRKYGZFAI-WDMOLILDSA-N 311.223 2.379 10 10 DECE CO[C@H]1C[C@@H](CF)N(c2ccc(CN)cc2Br)C1 2069980515 JWOZALAJOGNTBU-QWRGUYRKSA-N 317.202 2.471 10 10 DECE COc1ccc(Br)c(CNC[C@H]2C[C@@H]2OC)c1O 2220454492 UBKMWBUFJPMKMZ-PELKAZGASA-N 316.195 2.288 10 10 DECE CCn1nc(C)c2[nH]c(=N)n(Cc3cnc(SC)s3)c21 2284690941 CYKSLKUYBKHVKR-UHFFFAOYSA-N 308.436 2.200 10 10 DECE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)cc(C)c1O 8227535 UBDKNCFVKSPNAP-CYBMUJFWSA-N 304.346 2.200 10 10 DECE COc1cccc(C=C2SC(=S)N(C[C@H](C)O)C2=O)c1 2323701521 ULKAUCLFEHGGFS-VIFPVBQESA-N 309.412 2.277 10 10 DECE Cc1ccc(CN(C)C[C@@H]2C=CCN2)c(O)c1Br 2327793043 RFBAHTZGKJQZED-LBPRGKRZSA-N 311.223 2.423 10 10 DECE CC[C@@](C)(NCc1ccc(C)c(Br)c1O)C(N)=O 2327799013 PQFMTHDEDKOLQU-CYBMUJFWSA-N 315.211 2.207 10 10 DECE Cc1ccc(CN(C)C(=O)c2cn[nH]c2)c(O)c1Br 2352654629 HRXBBWIMPJOCRJ-UHFFFAOYSA-N 324.178 2.458 10 10 DECE CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 20603747 TVOXIHMBBOWEKY-KRWDZBQOSA-N 319.449 2.042 10 10 DECE COC[C@@H](C)N(C)C(=O)NCCCSc1nccs1 177853117 BRDFXDYWZLDKJH-SNVBAGLBSA-N 303.453 2.302 10 10 DECE CCOc1ccc(O)c(CN2CCOC[C@@H]2c2nc(C)no2)c1 188470055 OGMFANNRDQWJGS-CQSZACIVSA-N 319.361 2.056 10 10 DECE CCNCc1ccc(N(C)[C@H](C)CO)c(Br)c1 233512599 ROWFDOFRSOZWDL-SNVBAGLBSA-N 301.228 2.376 10 10 DECE COc1ccc(O[C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 237301624 DWGPCYVAMMOJAK-ZDUSSCGKSA-N 314.385 2.404 10 10 DECE CC(=O)C[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255672127 HTMOBJSCWPGEKS-BMWLXYDHSA-N 316.401 2.020 10 10 DECE Oc1cc(F)c(Cl)cc1CN1CCN(c2cnccn2)CC1 295425102 SPGTUIPVFPVVPO-UHFFFAOYSA-N 322.771 2.297 10 10 DECE CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cnccn1 491237703 SBSSNNHGNGLSGH-BQYQJAHWSA-N 322.368 2.428 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(F)ccc2O)CO1 722499917 DZIQNNGCUPOXCW-GFCCVEGCSA-N 312.341 2.172 10 10 DECE CCc1cnc(CCNC(=O)NCc2ccccc2O)s1 743693774 UUUAGBAGQAVGCM-UHFFFAOYSA-N 305.403 2.453 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O 775097980 MZYHPYDOKTVONP-GARJFASQSA-N 310.350 2.307 10 10 DECE CCOc1ccc(O)c(CN(CCO)Cc2ccnn2CC)c1 793307662 QBQQWEGXBMPIMN-UHFFFAOYSA-N 319.405 2.002 10 10 DECE COc1cccc(CNC(=O)CC[C@@H]2CCCCN2C)c1O 806762918 LYEMCNJMNXFQPI-AWEZNQCLSA-N 306.406 2.282 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H](C)C1O 827151729 IPQGEQBGFBAZGE-IUCAKERBSA-N 314.769 2.403 10 10 DECE COC(=O)C1(CN2CCCN(c3ccc(OC)cc3)CC2)CC1 827468333 QSOQNUZCYAHSTB-UHFFFAOYSA-N 318.417 2.161 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]3COC[C@H]3C2)c1O 827593966 CLHRSSYARYTZGR-MWLCHTKSSA-N 312.753 2.422 10 10 DECE CO[C@@H]1COCC[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 835055564 WIKMFSKSGHIMSZ-HRMTXBTBSA-N 304.434 2.407 10 10 DECE CCOc1ccc(O)c(CN[C@@H](COC)C2CCOCC2)c1 850350457 CBASUKVNNMBRHO-INIZCTEOSA-N 309.406 2.322 10 10 DECE COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)O2)c(O)c1 852579080 DQLHDEBACSJVMA-RISCZKNCSA-N 308.378 2.158 10 10 DECE COc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)c(O)c1 852826125 QFRAXXPWHGKIGP-INIZCTEOSA-N 312.369 2.252 10 10 DECE CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCOC1 869147235 OUFKNXRXCZOSJK-QMTHXVAHSA-N 313.781 2.103 10 10 DECE Cc1ccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)c(O)c1O 871302804 VFNFOIKQTQRQHX-OCCSQVGLSA-N 305.374 2.341 10 10 DECE COc1c([N+](=O)[O-])ccc(CNCCc2ccns2)c1O 895529134 GMZDQYOIDIQFEB-UHFFFAOYSA-N 309.347 2.098 10 10 DECE CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897450209 GPNARQIMPVDQIW-CHWSQXEVSA-N 307.371 2.202 10 10 DECE COCCc1ccnc(NC(=O)NCc2c(O)cccc2F)c1 931385895 LSKCZJCCWYPXKD-UHFFFAOYSA-N 319.336 2.437 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]c2ccc(F)cc12 1143909659 NXQHDYYZVDYGDV-UHFFFAOYSA-N 301.277 2.294 10 10 DECE O=C(NCc1ccccc1O)c1cccc(-n2ccnc2O)c1 1294925646 SBUXCTJWEFFQQW-UHFFFAOYSA-N 309.325 2.214 10 10 DECE COc1cc(C)cc(C(=O)NCc2c(O)cccc2F)c1O 1303877972 KAKCWYVQJMFDHM-UHFFFAOYSA-N 305.305 2.484 10 10 DECE COC(=O)c1ccnc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] 1307072798 MFUOMFDFINIWPI-UHFFFAOYSA-N 317.301 2.118 10 10 DECE CCOc1ccc(N2CCN(C/C=C(/C)C(=O)OC)CC2)cc1 1319613250 ZPLHXCXGMAGUMJ-DHDCSXOGSA-N 318.417 2.327 10 10 DECE C[C@@H](CNCCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1322094382 YIFXKAZNJMVCOC-NSHDSACASA-N 317.393 2.357 10 10 DECE O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(O)cc1O 1451732887 BAZDGONAXGEETR-UHFFFAOYSA-N 323.352 2.142 10 10 DECE Cc1nc(C)c(CCNC(=O)Cc2ccc(O)c(O)c2)s1 1464996896 BLNKBRNDMLYGCU-UHFFFAOYSA-N 306.387 2.073 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)N(C)C 1546421088 SENFVORMYLDLSI-CYBMUJFWSA-N 317.437 2.133 10 10 DECE Cn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cnccc21 1615027222 JHLRRLXIQDTCSU-UHFFFAOYSA-N 315.354 2.355 10 10 DECE COc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1C 1648934516 ZGZTXAQOAPURHT-UHFFFAOYSA-N 305.305 2.484 10 10 DECE O=C(Cc1ccc2c(c1)CCCO2)NCc1cc(O)ccc1O 1651225509 MQWXZNRZUNZDCX-UHFFFAOYSA-N 313.353 2.282 10 10 DECE Oc1cccc(O)c1CNc1cc(C(F)F)nc2ncnn12 1652267196 IVDVSUITAZYNKO-UHFFFAOYSA-N 307.260 2.085 10 10 DECE COC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1652528310 OBEPPRLGVZURKG-GFCCVEGCSA-N 306.366 2.497 10 10 DECE COCCC(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1675708043 QPTDPOKLHPEHSD-WKILWMFISA-N 320.433 2.025 10 10 DECE COC[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1713188852 SHSURIFDDZGCJD-CWRNSKLLSA-N 320.433 2.023 10 10 DECE Nc1ccc(Cc2nnnn2-c2ccc(Cl)c(N)c2)cc1 1857877095 GGMSHVRYJGFUSH-UHFFFAOYSA-N 300.753 2.071 10 10 DECE Oc1cc(Br)ccc1CNCC[C@@H]1COCCO1 1967714907 CPBJPVQUYVYFJZ-GFCCVEGCSA-N 316.195 2.050 10 10 DECE 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[N-]=[N+]=NC[C@H]1CCCCN(C[C@H]2CCCCS2(=O)=O)C1 1912196484 VUGSCKGVKMQUQP-CHWSQXEVSA-N 300.428 2.366 10 10 DECE C[C@@H](O)CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 1914605679 MOXYYYIRXGNACL-CYBMUJFWSA-N 315.369 2.164 10 10 DECE CN1CCN(c2ccc(CNC3CC3)cc2Br)CC1 234357949 QRDNFUGTZAWRCP-UHFFFAOYSA-N 324.266 2.453 10 10 DECE CC(C)(O)C1CN(c2ccc(CO)cc2Br)C1 1946892500 NWHCMXZSKJZYRO-UHFFFAOYSA-N 300.196 2.149 10 10 DECE CCOC(=O)[C@H]1C[C@@]1(N)c1cc(Br)cc(F)c1O 1952829446 LGUXAQQXXREKRF-PRHODGIISA-N 318.142 2.031 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153849271 QHGOYHCLOLQFPG-TVQRCGJNSA-N 316.854 2.372 10 10 DECE CC[C@@H]1CCN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2 2028299416 XEVKRVGOJAJACR-JMCQJSRRSA-N 310.195 2.390 10 10 DECE Oc1cccc(Br)c1CNC[C@@H]1COCCCO1 2036461706 DRLGIWLPDZJCDP-SNVBAGLBSA-N 316.195 2.050 10 10 DECE C[C@@H](c1cc(F)ccc1O)N1CCC[C@H](S(C)(=O)=O)C1 380354589 ZGKICHJSIFWGAI-JQWIXIFHSA-N 301.383 2.101 10 10 DECE CC1(C)CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 394108432 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CC[C@@H]1[C@H](O)CCN1c1ccc(CO)cc1Br 2251022909 BHACQHWDPGRLNT-DGCLKSJQSA-N 300.196 2.291 10 10 DECE C[C@H](NCCCS(=O)(=O)C(F)(F)F)c1ccccc1O 2286438235 FIZLPBCNHKSULW-VIFPVBQESA-N 311.325 2.368 10 10 DECE Cc1ccnc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1 2312479634 ROGFCXAWBQCZCG-UHFFFAOYSA-N 324.384 2.274 10 10 DECE Cc1ccc(CN2CC[C@@H](C(=O)O)C2)c(O)c1Br 2327627579 CBTWBPQETSRIRK-SNVBAGLBSA-N 314.179 2.370 10 10 DECE C[C@@H]1CCCN(S(=O)(=O)CCOc2ccc(N)cc2)CC1 70490894 CEXBGOKQDHXADM-CYBMUJFWSA-N 312.435 2.099 10 10 DECE CN(C)c1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)cc1 24998901 OROUDYSBHOYPNS-VMPITWQZSA-N 316.401 2.131 10 10 DECE CS[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C(C)(C)C1 2360503131 YUFLDEKISILSJO-CYBMUJFWSA-N 314.476 2.315 10 10 DECE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1ccncc1 255319778 DVARCGYULVOIDL-UTCJRWHESA-N 323.396 2.248 10 10 DECE CCN(CC)c1ccc(CN[C@H](CF)C(=O)OC)cc1F 290273818 YHGFWLIKTHQOCO-CYBMUJFWSA-N 300.349 2.273 10 10 DECE C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccnn1C 817430482 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C[C@H]1CC[C@@H](NCc2ccc3c(c2)CCCO3)CS1(=O)=O 922244500 NMOXTUWOJCPCJD-SWLSCSKDSA-N 309.431 2.067 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 865335395 HTCFZOFPAVTOTI-CAEXGNQWSA-N 312.369 2.201 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)NCc1ncccc1O 792091300 GPLOAHPODWFVPK-UHFFFAOYSA-N 314.389 2.161 10 10 DECE O=C(CCc1nc2ccccc2o1)NCc1ccc(O)cc1O 1162271410 DJGKRAOHDUWSQD-UHFFFAOYSA-N 312.325 2.488 10 10 DECE C[C@@H](COC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1962165561 WCUDQHQJNQJMJQ-WCQYABFASA-N 310.394 2.322 10 10 DECE C[C@H](NC(=O)N1CC[C@H](CO)[C@@H]1C)c1ccc(N(C)C)cc1 1312531830 MVXDUDMPALOCDB-KCQAQPDRSA-N 305.422 2.226 10 10 DECE CON(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1 1519462061 PYVGZGQGSOUSMW-UHFFFAOYSA-N 319.384 2.407 10 10 DECE CCc1ccc([C@@H](O)CNC(=O)c2c(F)ccc(O)c2O)cc1 1472560030 WRODDANMAILUPD-AWEZNQCLSA-N 319.332 2.263 10 10 DECE O=C(NCc1c(O)cccc1F)c1cn(-c2ccccc2)nn1 1635360438 MDOGTULAHYIONK-UHFFFAOYSA-N 312.304 2.042 10 10 DECE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1cccc(F)c1 1566344083 SCRMLJOPQSUDIV-BMLIUANNSA-N 319.332 2.018 10 10 DECE C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1c(O)cccc1O 1635846881 CTSJSWBTGAYHJF-MGPLVRAMSA-N 319.332 2.018 10 10 DECE CSCc1cccnc1C(=O)NCc1ccc(O)cc1O 1570462226 KBJYTGLKCBOHTP-UHFFFAOYSA-N 304.371 2.286 10 10 DECE CCOC(=O)/C=C/CN(CCOC)c1ccc(OC)c(OC)c1 1657577459 YJSOAPYJNOIUEN-VOTSOKGWSA-N 323.389 2.276 10 10 DECE COc1ccc(CN[C@H](C)CCNC(=O)c2cn[nH]c2)cc1C 1690833641 NNJPMJKBLYRLQO-CYBMUJFWSA-N 316.405 2.025 10 10 DECE CC[C@H](COC)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 150972087 GYSKGQXRCLTECY-YXMGTMDOSA-N 318.417 2.078 10 10 DECE Oc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)CCCC2 160297807 ULBNQKWMDBHKNC-GOSISDBHSA-N 316.445 2.178 10 10 DECE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CC1 1890320634 YMADORCEKJRSQH-ZFWWWQNUSA-N 306.431 2.257 10 10 DECE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1[C@H](C)C(=O)O 1857913679 UDOTWDSTLGXPCO-LLVKDONJSA-N 316.357 2.218 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(Br)s2)C1 1912184995 KSHDSGZAUNATDX-UHFFFAOYSA-N 323.197 2.194 10 10 DECE [N-]=[N+]=NC1CN(C(=O)COc2ccc(Br)cc2)C1 1912200958 NSANLGVPWZKDRO-UHFFFAOYSA-N 311.139 2.349 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 1902969439 OOZCJEMJZIGFTK-GRYCIOLGSA-N 323.397 2.401 10 10 DECE Cc1ccc([C@H](C)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 1985771795 MYIHBSNLSMLRHW-QWHCGFSZSA-N 324.421 2.237 10 10 DECE C[C@H](O)[C@H]1CCCN1c1ccc(CO)cc1Br 2018122499 XSMCOUPWYCOXKV-JOYOIKCWSA-N 300.196 2.291 10 10 DECE O=C1C(=Cc2cccnc2)SC(=S)N1C[C@@H]1CCCO1 2040469419 TUOBXANTKCVYMU-NSHDSACASA-N 306.412 2.462 10 10 DECE COCCN(c1ccc(CN)c(F)c1F)[C@H]1CCSC1 2170133910 YLYGKUMLXFNPCV-NSHDSACASA-N 302.390 2.382 10 10 DECE CN1[C@H]2CC[C@@H]1CN(Cc1cccc(Br)c1O)C2 723704459 JSVGCLWRMAVULC-TXEJJXNPSA-N 311.223 2.433 10 10 DECE CNC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 398461463 JHMGSVNIQNLRHQ-MRVPVSSYSA-N 303.189 2.267 10 10 DECE C[C@@H]1[C@H](C(=O)NCc2c(O)cc(O)cc2O)[C@H]1c1ccccc1 2062996334 UJUKVARRGPMPSJ-HKJPBSJPSA-N 313.353 2.469 10 10 DECE O=C(Nc1ccc(O)c(O)c1)C1([C@H]2CCCCO2)CCOCC1 2064391751 NYRJYEJYUUNFNK-OAHLLOKOSA-N 321.373 2.402 10 10 DECE CN(C)c1ccc([C@@H](N)c2ncncc2Br)cc1 2044708125 JZFGMBQGBAWUNJ-GFCCVEGCSA-N 307.195 2.353 10 10 DECE CN(CC1[C@H]2COC[C@H]12)c1ccc(CN)cc1Br 2054268438 VJDLKDRKIOLGMZ-VXGBXAGGSA-N 311.223 2.236 10 10 DECE CCN1C[C@H]2C[C@H]1CN2c1ccc(CO)c(Br)c1 2067406037 SBTYRZVHRLGWAN-QWHCGFSZSA-N 311.223 2.224 10 10 DECE C[C@@H](O)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)c(Br)c1 2067430199 DZFLHJDGWAXIFD-USWWRNFRSA-N 311.223 2.395 10 10 DECE CCCN(C)C1CN(c2ccc(CN)c(Br)c2)C1 2072418780 IWPTXTLFMFXUJR-UHFFFAOYSA-N 312.255 2.438 10 10 DECE CN(CC1(Br)CC1)c1ccc([N+](=O)[O-])c(CO)c1 2076270078 SMALZJUSSAFAIJ-UHFFFAOYSA-N 315.167 2.451 10 10 DECE C[C@@H](N)c1ccc(N2CC(n3ccnn3)C2)cc1Br 2113832638 SFQZSKZTKPJPGW-SECBINFHSA-N 322.210 2.122 10 10 DECE CC[C@H](C)[C@H](Nc1c(N)cccc1Br)C(N)=O 2253277543 FDVXFWAPZQSHEG-XVKPBYJWSA-N 300.200 2.343 10 10 DECE CSc1ncc(CNC(=O)C2CCC(C(=O)O)CC2)s1 2284493728 DWLVSYRVEBENCM-UHFFFAOYSA-N 314.432 2.372 10 10 DECE CSc1ncc(CNC(=O)[C@](C)(N)c2ccccc2)s1 2284634878 FCIWZQZVHKNIHL-CQSZACIVSA-N 307.444 2.355 10 10 DECE Cc1ccc(CNCc2cscc2S(C)(=O)=O)c(O)c1 2288478238 PMCKJFMTNXJLEA-UHFFFAOYSA-N 311.428 2.455 10 10 DECE O=C(C=Cc1cnc2ccccc2n1)NCc1ccc(O)c(O)c1 2301402090 UBWNUXRFRWJRKQ-UHFFFAOYSA-N 321.336 2.371 10 10 DECE NCC12CC(CCN1Cc1c(O)cccc1Br)C2 2318124228 YAMMLLUJXKUPHR-UHFFFAOYSA-N 311.223 2.468 10 10 DECE Cc1ccc(CNC(=O)[C@@H](C)[C@@H](C)N)c(O)c1Br 2327584967 DZNOEUBMQMWMLH-DTWKUNHWSA-N 315.211 2.063 10 10 DECE Cc1ccc(CN2C[C@H](F)C[C@@H]2CN)c(O)c1Br 2327631608 RLWFZMHDQQKOBC-GHMZBOCLSA-N 317.202 2.334 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1c(Br)ncn1C 2337216468 PTTDTUJIMQDFEM-UHFFFAOYSA-N 323.194 2.037 10 10 DECE CCCCCCN/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 103765967 GMQCRBODLCABIH-WYMLVPIESA-N 315.373 2.323 10 10 DECE Cc1nccc(N2CCN(Cc3cccc(Cl)c3O)CC2)n1 184764077 JVXVSJLUEGGWAP-UHFFFAOYSA-N 318.808 2.466 10 10 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311.223 2.291 10 10 DECE CC[C@H](N[C@@H](C)c1cc(Br)ccc1O)C(=O)NC 834913983 RTIGMVQGDOUDPU-KWQFWETISA-N 315.211 2.330 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CC[C@@]2(CCCNC2)C1 843117845 VGCAPIINGVQZPQ-LJQANCHMSA-N 315.461 2.099 10 10 DECE CO[C@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CC1 842590262 WSEKUMSAMHJTOV-GFCCVEGCSA-N 305.783 2.212 10 10 DECE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)CO 924759159 FSHQVRRPBBCYTA-HNNXBMFYSA-N 320.477 2.392 10 10 DECE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)CO 924717575 VTVWPSDJPBWFFK-ZDUSSCGKSA-N 310.413 2.159 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2cn[nH]c2)c1 757071464 JXTFQNDLLUPLRU-UWVGGRQHSA-N 304.350 2.245 10 10 DECE C[C@@H](N[C@@H]1CCc2nnn(C)c2C1)c1cc(F)cc(F)c1O 927148951 YXRMCJFTKZXKBS-PSASIEDQSA-N 308.332 2.007 10 10 DECE C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)NC1)c1ccc(N(C)C)cc1 861620827 OFDBFJQQOIHROR-VNHYZAJKSA-N 304.438 2.253 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2n[nH]cc2C1 862026980 FZNUGODBIFXKAK-GFCCVEGCSA-N 322.368 2.085 10 10 DECE 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2.462 10 10 DECE CN(C[C@@H](O)COCc1ccccc1)c1ccc(CN)cc1F 1916363610 BUGFBSSNBZDCGB-MRXNPFEDSA-N 318.392 2.298 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N(C)CCCS(C)(=O)=O 2138557008 MBGZQMKHTALSRR-JTQLQIEISA-N 305.827 2.473 10 10 DECE Cc1ccc(O)c(CNN2CCN(C(=O)OC(C)(C)C)CC2)c1 1936577844 VYBWPGSIPHWGJN-UHFFFAOYSA-N 321.421 2.258 10 10 DECE Nc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)cc2)c1 36742813 QUIVZJOGEFTXJA-UHFFFAOYSA-N 312.778 2.106 10 10 DECE C[C@@H]1CCS[C@H]1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2150876811 LNCUMCVPQMPABK-RISCZKNCSA-N 314.476 2.172 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCOC[C@@H]1F 2013770084 PEYUAFSSPPRXQL-QWRGUYRKSA-N 304.159 2.371 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c(Br)c1 2029636703 WNOXKDUJFCJHFN-PUYPPJJSSA-N 312.207 2.321 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C[C@]3(CO)C2)cc1Br 2029642856 COCXICGMVPQOPC-GPCCPHFNSA-N 311.223 2.287 10 10 DECE CCNCc1ccc(N2CCC[S@@](=O)CC2)cc1Cl 322175046 ONXWGWOXGOSVPH-LJQANCHMSA-N 300.855 2.408 10 10 DECE CNCc1ccc(N2C[C@@H](C)[C@@H](CO)C2)c(Br)c1 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2.311 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H](O)[C@H]2C3)cc1Br 2057052993 HLVIVRIPEUJQOW-NTKGCBCNSA-N 312.207 2.462 10 10 DECE OCc1ccc(N2CC[C@]23C[C@@H](CO)C3)c(Br)c1 2061770575 QCQBAGUIQFUVHR-YEORSEQZSA-N 312.207 2.293 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@@]3(CO)C2)cc1Br 2078145201 WMSUUEJXXYMUHA-RISCZKNCSA-N 311.223 2.117 10 10 DECE CSc1ncc(CNCC[C@H]2COC(C)(C)CN2)s1 2269305134 UTSDQESONCAOJH-JTQLQIEISA-N 301.481 2.112 10 10 DECE CC(C)OC(=O)CN1C(=O)C(=Cc2ccco2)SC1=S 2297465495 OSSQTJPYJNDUDG-UHFFFAOYSA-N 311.384 2.432 10 10 DECE CN1CCc2cc([C@@H](O)CNC(=O)C=Cc3ccoc3)ccc21 2297572272 PKCLOKZZZLSCCG-KRWDZBQOSA-N 312.369 2.135 10 10 DECE CCC[C@](COC)(NCc1cnc(SC)s1)C(=O)O 2349501043 PUMSJMFCRCVNML-GFCCVEGCSA-N 304.437 2.225 10 10 DECE CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3S(C)(=O)=O)ccc21 182684757 BXUDVCVEDPIXQD-WBVHZDCISA-N 322.474 2.124 10 10 DECE COc1ccc(O)cc1C(=O)NCc1ccc(N(C)C)cc1 187258580 BBBUQWGWCLLACH-UHFFFAOYSA-N 300.358 2.397 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cc1C 120581518 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CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1 1985094007 INVOJCDPMCTLKH-PHIMTYICSA-N 323.397 2.496 10 10 DECE C[C@@H](O)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)cc1Cl 2151278273 YLVNUWRHMNHMQJ-PWSUYJOCSA-N 317.838 2.407 10 10 DECE O=C1C(=Cc2cccnc2)SC(=S)N1C[C@H]1CCCO1 2040469418 TUOBXANTKCVYMU-LLVKDONJSA-N 306.412 2.462 10 10 DECE O=S(=O)(CCc1ccccn1)Nc1ccc(O)cc1Cl 70334318 CFSGMGLHBVKDNK-UHFFFAOYSA-N 312.778 2.425 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@@H]43)c(Br)cc21 706987642 YXFSWSBRFMEWES-XDYOCTJHSA-N 322.206 2.260 10 10 DECE CCN(CC(N)=O)c1ccc([C@H](C)NC)cc1Br 723179865 TULHXOQYYXYXAK-VIFPVBQESA-N 314.227 2.041 10 10 DECE Nc1ccc(CS(=O)(=O)NCCC2CC(F)(F)C2)cc1 2187636271 GVDCJIXQTHLJNX-UHFFFAOYSA-N 304.362 2.124 10 10 DECE Nc1cccc(Br)c1N[C@H]1CCc2nncn2C1 2041926792 WOLVUNSEMYQLDP-QMMMGPOBSA-N 308.183 2.050 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]2CO)c(Br)c1 2078297389 HJITWEPHGRPDCT-ORMVGFHCSA-N 312.207 2.319 10 10 DECE Oc1ccc(Br)cc1CNn1nnc2c1CCCC2 2087537125 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311.334 2.008 10 10 DECE CCOC(=O)C[C@](C)(N)c1cc(Br)ccc1O 1951862892 HIFWDMWNTGCDRJ-LBPRGKRZSA-N 302.168 2.282 10 10 DECE COC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977946529 VVTKNZOLXNLDTF-LSDHHAIUSA-N 323.437 2.292 10 10 DECE CN1CCc2cc([C@H](O)[C@H](N)COCc3ccccc3)ccc21 1977957599 GYPHZUJUKXPKRJ-MJGOQNOKSA-N 312.413 2.256 10 10 DECE O=S1(=O)CCC[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]21 2145072096 IURMXGRDHRJTDA-QMTHXVAHSA-N 315.822 2.055 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)[C@@H](N)c2ccccc2O)C1 1993190522 YAROQLBOFNELSJ-BYCMXARLSA-N 322.405 2.010 10 10 DECE Oc1c(Br)cccc1CNCC[C@H]1C[C@@H](O)C1 2017009740 YSQVTXIZUMLSSI-JGZJWPJOSA-N 300.196 2.405 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](O)C3(CC3)C2)cc1Br 2032398579 VMEBCYCEWKEPRK-TVQRCGJNSA-N 312.207 2.464 10 10 DECE COC[C@@](C)(CCO)NCc1cccc(Br)c1O 304807542 TWPAIQABQGRKLJ-CYBMUJFWSA-N 318.211 2.032 10 10 DECE NCc1ccc(N2CC[C@H]3COC[C@H]3C2)cc1Br 690284186 WLYVJABOEJOSIN-NWDGAFQWSA-N 311.223 2.381 10 10 DECE CCN(C(=O)c1c(Br)cnn1C)c1ccc(N)cc1 693059581 XZXMUQJFXPRZPI-UHFFFAOYSA-N 323.194 2.432 10 10 DECE Cc1nn(C)c(COc2cc(F)cnc2N)c1Br 723420408 FSXNJYQFTYYBEO-UHFFFAOYSA-N 315.146 2.186 10 10 DECE CN(C)C[C@@H]1CCN1c1ccc(CN)c(Br)c1F 2042684376 ZVBSQUGITNZPLM-JTQLQIEISA-N 316.218 2.187 10 10 DECE CN(CC1(Br)CC1)c1ccc2c(c1)NC(=O)[C@@H]2N 2076249470 CHNJMQZOKOFFMC-LLVKDONJSA-N 310.195 2.002 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1Br 2078267629 NKVSINHDYMMCDD-COPCRZHJSA-N 311.223 2.286 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@H]3C3CC3)c(Br)cc21 2088663191 XBWSAHWUIJZUFF-WCQYABFASA-N 322.206 2.390 10 10 DECE CSc1ncc(CNCCN2C[C@H](C)O[C@H](C)C2)s1 2269198160 HZVGWKJBYWBALK-PHIMTYICSA-N 301.481 2.064 10 10 DECE Oc1cccc(Br)c1CN1[C@H]2CCC[C@@H]1CNC2 2219169380 VAFWKBYRGOXTGV-PHIMTYICSA-N 311.223 2.481 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 2234166109 KDMVNTDYCDRVIS-GHMZBOCLSA-N 302.306 2.475 10 10 DECE CSc1ncc(CN=[S@](N)(=O)N2CCCCC2)s1 2257078993 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BDGLEBNUESHTJE-CHWSQXEVSA-N 308.378 2.156 10 10 DECE CCS[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 233851958 ZTPDJSDWGYBCSD-KGLIPLIRSA-N 314.476 2.362 10 10 DECE CC(C)(C)OC(=O)N1CC(C[C@H](N)Cc2ccc(O)c(O)c2)C1 1952976797 SCYMPNIIOIXUBT-CYBMUJFWSA-N 322.405 2.225 10 10 DECE C[C@@H]1CN(Cc2cc(N)ccc2O)CCN1C(=O)OC(C)(C)C 1977887640 GKLUXMMMDOYIMT-GFCCVEGCSA-N 321.421 2.416 10 10 DECE CS[C@@H]1COC[C@@H]1NCc1cc(Br)ccc1O 2026377473 ICAVPTVGEDSABE-CMPLNLGQSA-N 318.236 2.375 10 10 DECE NCc1cc(F)c(N2CC[C@@]3(CCO3)C2)cc1Br 2035798213 NOGFYLLSFSWKCB-CYBMUJFWSA-N 315.186 2.416 10 10 DECE O=S1CCC(NCc2ccc(Br)cc2O)CC1 691440556 RMLIJAREOGWXMF-UHFFFAOYSA-N 318.236 2.155 10 10 DECE CN(C)C(=O)c1ccnn1Cc1ccc(Br)cc1O 2069900556 YVDQICOTURFKQV-UHFFFAOYSA-N 324.178 2.101 10 10 DECE CC[C@H](C)NCc1cnc(SC[C@H]2CN(C)CCO2)s1 2239999005 FBBXGKAHUOQDRU-NWDGAFQWSA-N 315.508 2.454 10 10 DECE COC(=O)c1csc(=NCc2cnc(SC)s2)[nH]1 2256959754 RFPDMURMJJRQFS-UHFFFAOYSA-N 301.418 2.142 10 10 DECE NCCCC[C@H](Nc1c(N)cccc1Br)C(=O)O 2260916502 FJOKAZJQAMJBCL-JTQLQIEISA-N 316.199 2.025 10 10 DECE CSc1ncc(CNC(=O)[C@@H](N)CSC(C)(C)C)s1 2269088606 TTZPAGXTHCPPHO-VIFPVBQESA-N 319.521 2.340 10 10 DECE CCOC(=O)CN1C(=O)C(=Cc2cccc(O)c2)SC1=S 2293308595 DCYJGWJEGUHXIB-UHFFFAOYSA-N 323.395 2.157 10 10 DECE C[C@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1)C(=O)O 2293920336 HQNPFRQQMYKSJB-ZETCQYMHSA-N 309.368 2.027 10 10 DECE Cc1nc(=O)n(Cc2ccc(N)cc2)c(C)c1Br 128705842 RLHQLNWTNPEDRS-UHFFFAOYSA-N 308.179 2.253 10 10 DECE Cc1cnn(C[C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 180129979 CAJLPJBITFMBGC-AWEZNQCLSA-N 321.808 2.452 10 10 DECE CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@]21O 33831721 WCLDCQVGZXKRKT-LJQANCHMSA-N 319.364 2.419 10 10 DECE Cn1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(C2CC2)n1 291993091 GZDMYHNXWYHNAV-UHFFFAOYSA-N 316.361 2.073 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc3c(c2)CCO3)CO1 722501131 MSGQHPJEUASMGA-AWEZNQCLSA-N 320.389 2.262 10 10 DECE COc1ccc(N2CCC(N[C@H](C)C(OC)OC)CC2)cc1 922313051 JKZMUVGVSOQCTB-CYBMUJFWSA-N 308.422 2.261 10 10 DECE C[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)c1ccc(N(C)C)cc1 848598990 VYEVFOLDLSTYAB-SKDRFNHKSA-N 318.343 2.002 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 850346320 FCVCCPVFGRGYEM-HRCADAONSA-N 315.461 2.489 10 10 DECE CN1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(N2CCOCC2)cc1 931621998 MVPNFDLYKXGNIG-RBUKOAKNSA-N 315.461 2.192 10 10 DECE Cc1ccc(C(=O)N2CCC(C)(N3CCCC3)CC2)c(O)c1O 870256297 FIKUPJOZNUUSDL-UHFFFAOYSA-N 318.417 2.497 10 10 DECE COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 884630628 AMTRXXSMQRAQTL-ICGPHACGSA-N 320.345 2.131 10 10 DECE COc1cccc(O)c1CNC[C@H](O)Cc1ccccc1F 886234005 CXSMECIZDPDFSB-CYBMUJFWSA-N 305.349 2.233 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H]1[C@H]2CC[C@@]1(c1ccncc1)C2 1123978648 WSRUWVZVXPFCBQ-UVIMBBFXSA-N 324.380 2.477 10 10 DECE C/C(=C\C(=O)N(CCC(N)=O)c1cccc(C)c1)c1cnccn1 1125725221 SAPSZSIUJAQRQH-SDNWHVSQSA-N 324.384 2.097 10 10 DECE C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(N2CCOCC2)cc1 787765682 CKMDKRKVGXTYLR-HUUCEWRRSA-N 304.434 2.257 10 10 DECE COC(=O)[C@H]1[C@H](CN(C)c2ccc(OC)c(OC)c2)C1(F)F 894461609 JISCOVVPQLFWHI-GXFFZTMASA-N 315.316 2.194 10 10 DECE Oc1cc2c(cc1CN1CCO[C@@]3(CCCOC3)C1)CCC2 795633671 DVBSSEIOJZTIER-SFHVURJKSA-N 303.402 2.262 10 10 DECE Cc1ccc(NC(=O)c2cccc(O)c2O)cc1S(C)(=O)=O 790906348 YBCATJRISYJUSE-UHFFFAOYSA-N 321.354 2.062 10 10 DECE Cc1cccc(N)c1N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 1959365648 HSRSCVNRVNGASH-QWHCGFSZSA-N 307.394 2.281 10 10 DECE O=Cc1ccc(OCCC(=O)NCc2c(O)cccc2F)cc1 1303879306 XFXYPTIFDCRQFQ-UHFFFAOYSA-N 317.316 2.429 10 10 DECE CC(C)(C)OC(=O)NCCC1(O)CCN(CCN=[N+]=[N-])CC1 1962301781 WRZKMUWBNBMECF-UHFFFAOYSA-N 313.402 2.038 10 10 DECE CN(CCCC(=O)O)Cc1c(O)cccc1Br 706622850 ZABSDHFGZYYUIM-UHFFFAOYSA-N 302.168 2.451 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@@](C)(CO)COC)cc1Cl 689813882 NVOPOSDHXDKTSD-NHYWBVRUSA-N 300.830 2.454 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@]12CCCC[C@H]1C2 1336193113 ZXCXHAPJEXTTNK-KBXCAEBGSA-N 316.401 2.047 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2ccc[nH]2)cc1C 1268678113 DWQBKFIJTLXWKI-ZDUSSCGKSA-N 301.390 2.240 10 10 DECE C[C@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)c1ccccc1O 1347962671 DQEHEGTUWBWJGM-MNOVXSKESA-N 300.362 2.141 10 10 DECE CC(C)[C@@H](O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1295635315 WQTFGSSCERUURQ-CYBMUJFWSA-N 318.377 2.376 10 10 DECE COC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1544676150 HTZXHDHFAANMIN-UHFFFAOYSA-N 316.313 2.457 10 10 DECE CCO[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1482263093 VGBRFXCUVAGFCF-CABCVRRESA-N 322.449 2.365 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1n[nH]c2cc(O)ccc12 1556723193 WBKUYVTZVKTUGU-QHHAFSJGSA-N 311.297 2.332 10 10 DECE Cc1noc2ncc(C(=O)NCc3c(O)cccc3F)cc12 1646028353 GLULBFJWXPFOOR-UHFFFAOYSA-N 301.277 2.306 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](OC)C2CC2)cc1C 1662207994 UEEMMKHOOFAHKS-DYVFJYSZSA-N 320.433 2.023 10 10 DECE CCn1c(C2=C[C@H](O)[C@H](N)C2)nc2cc(Br)ccc21 2131474994 NHTGGYBLFBPINR-MFKMUULPSA-N 322.206 2.294 10 10 DECE CC(C)(CN)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1915771843 QOQSJQBAICRYPN-UHFFFAOYSA-N 314.385 2.478 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N(C)[C@@H]1CCS(=O)(=O)C1 2138553855 RMDNSUSGDKENAA-GXSJLCMTSA-N 303.811 2.226 10 10 DECE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1cccc(O)c1O 1951868111 MFIYURSXLLSXTQ-HNNXBMFYSA-N 311.334 2.312 10 10 DECE C[C@@H](O)c1ccc(N2CC(N3CCC3)C2)cc1Br 2034794828 FXNSYAHFOBAVJQ-SNVBAGLBSA-N 311.223 2.397 10 10 DECE CNCc1ccc(N2CC[C@@H](O)[C@H](C)C2)c(Br)c1 300499414 VMFUKVJAGTVQHQ-QMTHXVAHSA-N 313.239 2.376 10 10 DECE COc1cc(Cl)cc(CN2C[C@H](N)[C@H](C(F)F)C2)c1O 2158722164 RYNZMEUBHFDTFB-ZJUUUORDSA-N 306.740 2.078 10 10 DECE CS(=O)(=O)C[C@H]1CCCN(c2ccc(CN)cc2Cl)C1 380404595 CFXGTWLZIXXLLH-LBPRGKRZSA-N 316.854 2.060 10 10 DECE COc1ccc(O)c(CNC(=O)c2coc3c2[C@H](O)CCC3)c1 2063128556 IQUVJOOJTPJGSA-CQSZACIVSA-N 317.341 2.294 10 10 DECE C[C@H](NCc1c(O)cccc1Br)[C@@H]1C[C@H]1C(=O)O 2054519220 URZBMKFQCDRFJN-XHNCKOQMSA-N 314.179 2.354 10 10 DECE O=S(=O)(CCNCc1cc(Cl)ccc1O)C(F)(F)F 2224284624 BZAAQWNJWJYQJL-UHFFFAOYSA-N 317.716 2.070 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)cc1Br 2254033333 AUWMWHVFZUCMIC-PKFCDNJMSA-N 312.207 2.464 10 10 DECE CSc1ncc(CNC(=O)c2csc([C@@H](C)N)n2)s1 2269093896 PUTWBYWSWIZKPR-ZCFIWIBFSA-N 314.461 2.271 10 10 DECE CNCc1ccc(N2CCO[C@H](P(C)(C)=O)C2)c(F)c1 2289310646 MBRMUPAVODTRRL-CQSZACIVSA-N 300.314 2.331 10 10 DECE CSC[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297609208 DDAJVDQWJURIOB-CQSZACIVSA-N 320.458 2.404 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@H]2CCCC[C@@H]21 2307986290 LJKRUVICIYRHGI-BBRMVZONSA-N 303.358 2.281 10 10 DECE Cc1nnc(CNCc2ccc(C)c(Br)c2O)o1 2327631862 SPZGCENEWHKAAT-UHFFFAOYSA-N 312.167 2.444 10 10 DECE Cc1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c(O)c1O 179517804 BDCGYAQYMAKNKF-JTQLQIEISA-N 317.389 2.118 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H]2CN2CCCC2)c1 173331715 NVTHGUVJKKCAOP-HNNXBMFYSA-N 305.378 2.361 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](CO)C1 302962790 QPEFMSSRPNRWCH-ZDUSSCGKSA-N 313.357 2.095 10 10 DECE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)S1 301629159 ASZRINQUFRUIRI-IUCAKERBSA-N 323.374 2.256 10 10 DECE COc1cnccc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 189637506 XHYWWIKEPOWJLI-DUMNWFOQSA-N 314.341 2.392 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cnn3c2CCCC3)c1 128467348 BQPRFNHVLPCUAC-LLVKDONJSA-N 315.373 2.425 10 10 DECE CC[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccccc1O 185211563 SDHKLYAFWCYRRM-HZPDHXFCSA-N 302.422 2.469 10 10 DECE Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1N 70439049 HBUHKMBQGQGNQH-UHFFFAOYSA-N 306.343 2.107 10 10 DECE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 43301337 DKKOIWOAOXJIBP-HOCLYGCPSA-N 310.463 2.228 10 10 DECE Oc1ccc(Cl)c(F)c1CN1CCO[C@@]2(CCOC2)C1 191502475 NWOUBTITVSZBQX-AWEZNQCLSA-N 301.745 2.176 10 10 DECE CC[C@@H]1[C@@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(OC)c1O 252848669 HYDXPLCWWWUULP-IACUBPJLSA-N 310.825 2.484 10 10 DECE CCNC(=O)C[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 283753054 ABCJFOAHZIYUEJ-CYBMUJFWSA-N 320.389 2.002 10 10 DECE Cc1cncc(/C=C/C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 89465629 OVJKTLSSNVTWDC-FYCOFBDGSA-N 321.380 2.409 10 10 DECE COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 804780804 FZXRIYLXLHMHPH-STMXVASLSA-N 320.345 2.396 10 10 DECE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(Br)cc1O 825948870 LMYKQFRAWJCKQQ-RAIGVLPGSA-N 312.207 2.500 10 10 DECE c1cc2c(cc1CN[C@@H]1CNCC3(CCOCC3)C1)CCCO2 904388260 GURMHVBIPQJXJA-KRWDZBQOSA-N 316.445 2.260 10 10 DECE CCN(CC)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588406801 OOSLVYAHEHMFCE-DDJMYBDESA-N 318.417 2.301 10 10 DECE CCn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1C1CC1 907060926 RHEYLPQMJVZPKH-UHFFFAOYSA-N 301.346 2.122 10 10 DECE COC(=O)[C@@H]1CSCCN(Cc2cc3c(cc2O)CCC3)C1 840185171 DOMOANQTEBMCOM-HNNXBMFYSA-N 321.442 2.219 10 10 DECE CC[C@](C)(CO)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 847392680 AFYPWXKTSKNZCI-RDTXWAMCSA-N 320.433 2.109 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCNC[C@@H]1C 841985276 AUYBTRXZTRORNC-WMLDXEAASA-N 318.465 2.282 10 10 DECE CC1CCN(c2ccc(CNC(=O)NC/C=C/CN)cc2)CC1 841794129 UNMUYOSQCDOQCG-NSCUHMNNSA-N 316.449 2.237 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H]2c2nc(C)no2)c1 858592343 ZHXIOPWLIXOVBK-RJIBLYRGSA-N 319.361 2.273 10 10 DECE CC[C@H](NC[C@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 927132913 OPXCQGCSCTYWDC-RDJZCZTQSA-N 302.422 2.260 10 10 DECE C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1O 868383841 YREPPPJOYQKOOU-RWMBFGLXSA-N 303.406 2.378 10 10 DECE CCN1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 930711901 OYFQYGAGUOGKMU-QGZVFWFLSA-N 317.477 2.439 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2nnc(C3CC3)o2)c1 865927330 AGTORKPQRWDYHJ-MRVPVSSYSA-N 303.318 2.152 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C1CCC1)[C@@H]1CCOC1 871302788 VBJDHTUNVREQDC-FVGVTAGRSA-N 317.385 2.432 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 1151520235 PFVZJOFWLSQGOL-NIKGAXFTSA-N 309.365 2.485 10 10 DECE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCCN=[N+]=[N-] 1963700327 WOZDOQFGKKRMDV-VIFPVBQESA-N 315.399 2.113 10 10 DECE 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CN(Cc1ccccc1O)C(=O)NCc1nnc(C2CC2)s1 1683179250 PUNFKUBEZLGCRI-UHFFFAOYSA-N 318.402 2.463 10 10 DECE NCc1ccc(N2CCCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 163698017 XIAVDMZVSKKNOZ-GFCCVEGCSA-N 301.312 2.008 10 10 DECE CC[C@H](NCC1CCN(CCO)CC1)c1ccc(N(C)C)cc1 151840497 ADDCRSQPGJUZND-IBGZPJMESA-N 319.493 2.498 10 10 DECE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)o1 232389256 ZPHFHFFDKAECDJ-UHFFFAOYSA-N 317.706 2.138 10 10 DECE CN1C[C@@H](c2c(O)c(Cl)cc(Cl)c2Cl)NCC1=O 1951856784 ACQCNOCFHSPCCL-ZETCQYMHSA-N 309.580 2.455 10 10 DECE COc1ccc([C@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c(O)c1 1952761924 KKRIFPKYCVTYMI-BDJLRTHQSA-N 323.345 2.225 10 10 DECE C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1985048217 FMZMGTOQGVDEDB-APPDUMDISA-N 320.389 2.312 10 10 DECE CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CN)cc1Cl 2151276003 QZERLNVHWRLGDA-LBPRGKRZSA-N 316.854 2.202 10 10 DECE Nc1ccc(CNC(=O)c2cc(Br)sn2)cc1 2007643549 JRLOQVAWBGOKRS-UHFFFAOYSA-N 312.192 2.418 10 10 DECE NCc1ccc(N2CCOC[C@@H]2CF)c(Br)c1 2011451024 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10 10 DECE Cc1ccc(CN(C)C=CC(=O)O)c(O)c1Br 2307464674 YFAYDZMJFGZYQD-UHFFFAOYSA-N 300.152 2.493 10 10 DECE C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 171686788 YSVWCVLLUSLQDA-AWEZNQCLSA-N 321.490 2.148 10 10 DECE CC1(C)[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 301710009 XFQPEHGRXBCUOH-DTORHVGOSA-N 303.318 2.018 10 10 DECE COCCN1CCN(Cc2cc3c(cc2O)CCC3)C[C@H]1C 117321825 YWYSJRMSLXSZMC-CQSZACIVSA-N 304.434 2.033 10 10 DECE CCCN1CCN(c2ccc(CN)cc2Br)CC1 212925747 AAVPYBUBUCLZKJ-UHFFFAOYSA-N 312.255 2.440 10 10 DECE OC[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 319720354 VIHCNNUGHYFQEQ-SJORKVTESA-N 304.434 2.164 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1sccc1Br 135524597 UAXIPELWGQODIN-ZETCQYMHSA-N 318.200 2.327 10 10 DECE C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc2ccccc2c1O 321470481 HNLINJUFAZFEMO-IAQYHMDHSA-N 312.369 2.343 10 10 DECE Nc1ccc(OCC(=O)OCc2cn3ccsc3n2)cc1 149293288 GVTUEOATYPHGAI-UHFFFAOYSA-N 303.343 2.100 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)COC)c(Cl)cc21 252589273 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303.289 2.233 10 10 DECE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O 1964873273 GAVQHIPAKDBTAT-LLVKDONJSA-N 324.377 2.195 10 10 DECE CN1C(=O)/C(=C\c2cccc(OCCC(=O)O)c2)SC1=S 16905228 WQFUFVIIKYJANE-DHZHZOJOSA-N 323.395 2.371 10 10 DECE C[C@H](NC[C@]1(O)CCSC1)c1ccc(N2CCOCC2)cc1 158129554 BOXNDRYOKCPFRX-WMLDXEAASA-N 322.474 2.042 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 1912206814 IQHPZTVWSWBWKA-LBPRGKRZSA-N 313.361 2.447 10 10 DECE CC[C@@](O)(CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1919786037 UEXUJNDCWPIETQ-WMLDXEAASA-N 324.421 2.448 10 10 DECE CCS[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 233837414 DOIWPSLKNJIIBR-UONOGXRCSA-N 314.476 2.362 10 10 DECE O=C1C[C@@H](c2cc(Br)cc(Br)c2O)N1 1951666745 MHGVXRRYMNHPRV-ZETCQYMHSA-N 320.968 2.478 10 10 DECE N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1c(O)cccc1Br)C2 2027962559 UVVBSFFRAGBCAL-AXFHLTTASA-N 311.223 2.466 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O 2176911710 TXHORQAXEXAOPT-MBTXQYBYSA-N 318.200 2.063 10 10 DECE O=C(O)[C@@H]1[C@H]2C[C@H]1N(Cc1c(O)cccc1Br)C2 706621669 JLVWCQSMAZHGDM-HNBZJPLGSA-N 312.163 2.060 10 10 DECE C[C@@H]1C[S@@](=O)CCN1c1ccc(C=CC(=O)O)cc1Cl 2171967434 ZYCXLWDTFHIZFP-SBKAZYGRSA-N 313.806 2.395 10 10 DECE C[C@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 380438713 LOYIVTVHBSJBTL-JQWIXIFHSA-N 316.854 2.373 10 10 DECE CCN(CC(=O)NC)c1ccc([C@@H](C)N)cc1Br 723189955 WYKFHCXHWOLXKD-SECBINFHSA-N 314.227 2.041 10 10 DECE COC1(C(=O)NCc2c(O)cc(O)cc2O)CCCCCC1 2065128336 JNVYRYIOFDUBNT-UHFFFAOYSA-N 309.362 2.159 10 10 DECE COc1ccc(N(C)[C@H]2CC[C@@H]2N)c(OC)c1Br 2044311218 OKTNLXCJLAQLAH-IUCAKERBSA-N 315.211 2.392 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@H](n2cncn2)C1 2103611388 KJJAOBKKGZHMHP-XYPYZODXSA-N 323.194 2.240 10 10 DECE C[C@]12CC[C@@H]1C(=O)N(c1ccc(N)cc1Br)C2=O 2086100339 LNADMEWRYAGSCT-OQPBUACISA-N 309.163 2.321 10 10 DECE CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3ccccc32)c1 110153485 CNAJXVNSXCFXKV-CMDGGOBGSA-N 321.380 2.434 10 10 DECE CO[C@@H]1CC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2230977697 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C[C@H](CN1CCCCCC1)NCc1cc2c(cc1O)OCO2 187565110 QKAITDWGHKZQBN-CYBMUJFWSA-N 306.406 2.475 10 10 DECE CNCc1ccc(N(C)[C@@H]2CCN(C)C2)c(Br)c1 381005141 JQIHHXBBQFYQIY-GFCCVEGCSA-N 312.255 2.309 10 10 DECE CCOc1ccc(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 91928293 FRDOVIKOHNZWMJ-DLBZAZTESA-N 307.390 2.171 10 10 DECE COc1cccc(CN2CCO[C@H](c3nccs3)C2)c1O 92831740 UFYOERQITHGVHK-ZDUSSCGKSA-N 306.387 2.431 10 10 DECE Oc1ccc(Br)cc1CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 249554113 LODAUDMOXQNERD-IPHMSRQVSA-N 324.218 2.356 10 10 DECE Oc1ccccc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 271253494 FYRTXVAFHWJECR-GOEBONIOSA-N 303.358 2.310 10 10 DECE Cc1cc(Cl)cc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O 827173294 WEYVXRKNDQUYBM-MFKMUULPSA-N 317.838 2.409 10 10 DECE Oc1c(Br)cccc1CN1CCNC[C@H]1C(F)F 843124870 ODVNTQXSZPVHMP-JTQLQIEISA-N 321.165 2.194 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](C)C1 847400174 ZVGCFQVLGZUQPG-OAHLLOKOSA-N 303.450 2.443 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCCOC1 840290194 ARCFHOHAXOCRMC-HOCLYGCPSA-N 319.449 2.470 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3CCC3(OC)OC)C2)cc1 926681240 XBVAWZAMQVVKRA-XJKSGUPXSA-N 306.406 2.015 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@H]1CCOC2(CCC2)C1 921537901 ZQQPCLCWIKJWCH-NSHDSACASA-N 308.353 2.432 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@]12CCCO2 922308088 VXXLHUULCDDKKK-XUXNBKRGSA-N 303.358 2.329 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1[C@H]2COC[C@H]21 854514506 WANMOMMHRDEKJR-JYAVWHMHSA-N 320.352 2.227 10 10 DECE C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCC(F)CC1 850853347 REXRINZZDYHASC-VOMCLLRMSA-N 307.369 2.240 10 10 DECE C[C@H]1CC[C@@H](NCc2c(O)cccc2Cl)CS1(=O)=O 850369324 VJGNGQCKCTUFSU-VHSXEESVSA-N 303.811 2.101 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCNC12CCC2 861662909 KZIQVJUKKDVHBP-MRXNPFEDSA-N 316.449 2.179 10 10 DECE CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)C1 775709658 WHGWDORIZNVQGZ-VIFPVBQESA-N 300.761 2.237 10 10 DECE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCNCC(C)(C)C2)c1O 872254247 XOABALVISGHYMW-LBPRGKRZSA-N 323.393 2.177 10 10 DECE CC1=C(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 795303893 PWWOMQMIKKUPCG-UHFFFAOYSA-N 303.318 2.472 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCOC1CCCCC1 1135921436 MAUIRGBMZIMAKM-UHFFFAOYSA-N 307.390 2.496 10 10 DECE COCc1cccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 797819913 WDEDPWVEPOJMAT-UHFFFAOYSA-N 323.370 2.348 10 10 DECE C[C@H](NC(=O)NCc1ncccc1O)c1ccc(N(C)C)cc1 792179465 PVTLJMLBBXCZLG-LBPRGKRZSA-N 314.389 2.414 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 1147957871 ZMDYZRFOLJRYCV-UHFFFAOYSA-N 302.286 2.244 10 10 DECE Cc1cccc(CONC(=O)/C=C\c2ccc(O)c(O)c2)n1 1168633891 IRNOGBHMKXPCQU-VURMDHGXSA-N 300.314 2.062 10 10 DECE C[C@@]1(F)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 1330592563 MYPTXRDNFAVTCS-CQSZACIVSA-N 309.297 2.254 10 10 DECE CO[C@H](C)[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 1343395881 YFQMMPQJJFSONJ-UONOGXRCSA-N 309.429 2.091 10 10 DECE Oc1c(CN=c2[nH]nc(Br)s2)ccc(F)c1F 2213670880 XINZZRZWHIRVPM-UHFFFAOYSA-N 322.134 2.318 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cnc3cc(C)nn3c2C)c1 1453654420 YNZHLYTZOPTESB-UHFFFAOYSA-N 310.357 2.290 10 10 DECE C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1465991145 ARBFWLFPDPZGCS-WDEREUQCSA-N 304.350 2.394 10 10 DECE CN(C(=O)c1cccc(O)c1O)[C@H](c1ccccc1)c1nc[nH]n1 1629514194 KCDQAGPNPTXWPQ-CQSZACIVSA-N 324.340 2.078 10 10 DECE COc1ccc(CNC(=O)c2cc(C(F)F)ncn2)c(O)c1 1556354757 TUZBBFMZMARPBU-UHFFFAOYSA-N 309.272 2.058 10 10 DECE CC(C)N(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1493451801 SCADVAFDMZIMER-UHFFFAOYSA-N 317.393 2.452 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1635846982 FWKOONPPDMOZRI-UHFFFAOYSA-N 314.301 2.190 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)CCC(F)(F)F)C1 2128949248 RQBCRZNJRSBFSQ-QMMMGPOBSA-N 300.306 2.291 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917065983 VKAONNOUUFCORE-NOZJJQNGSA-N 317.202 2.380 10 10 DECE CNCc1ccc(N(CC(N)=O)Cc2ccccc2)c(F)c1 1931991001 PVJLZAHLUSIZFU-UHFFFAOYSA-N 301.365 2.037 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H]1c1ccc(O)c(O)c1 1952605608 WDLHVRPRBXMVSK-RISCZKNCSA-N 308.378 2.497 10 10 DECE CN(CCCNC(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1 1977923252 RKQACTOKNFXWOC-UHFFFAOYSA-N 321.421 2.185 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985102381 GGFQSSFUCUFZSZ-RWSFTLGLSA-N 321.381 2.201 10 10 DECE C[C@H]1C[C@H]1N(CCO)c1ccc(CO)cc1Br 2002034785 KKNUZIQISTZRMV-TVQRCGJNSA-N 300.196 2.149 10 10 DECE O=C(O)CCCN1C(=O)C(=Cc2ccccc2O)SC1=S 2038086849 OVFWOEKHPAAQJT-UHFFFAOYSA-N 323.395 2.458 10 10 DECE C[C@H](O)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159805642 LWASNVKZLARMHQ-QMMMGPOBSA-N 305.388 2.323 10 10 DECE CN([C@@H]1CCCC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2175588982 ILODEANSPYOLGI-UONOGXRCSA-N 300.399 2.311 10 10 DECE NCc1ccc(N2CCS[C@H]3COCC[C@H]32)c(F)c1F 2170502479 GEXBIXJSFWYQDV-PWSUYJOCSA-N 300.374 2.134 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(N2CCCC2)ccn1 2062302470 HALGLTZIGOQEOF-UHFFFAOYSA-N 313.357 2.023 10 10 DECE C[C@@H](NCc1ccc(O)c(O)c1O)C(F)(F)C(F)(F)F 2182466942 BEGXOYRULFUTRV-RXMQYKEDSA-N 301.211 2.479 10 10 DECE NCc1cc(F)c(N2C[C@H]3C[C@H]2C[C@H]3O)cc1Br 2052046470 MQTBWCYJMVBSOE-VYUIOLGVSA-N 315.186 2.006 10 10 DECE OC[C@@H](F)C1CC(NCc2c(O)cccc2Br)C1 2078432309 IZWUIDZWCFOBJH-SHVIVCPWSA-N 318.186 2.353 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(CO)cs1 2101536040 KSEZPRDFCDVICL-UHFFFAOYSA-N 319.791 2.400 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ncccc1Br 2087724910 MZLIMYVREMNYCV-UHFFFAOYSA-N 323.146 2.437 10 10 DECE COc1ccc(N(CCC(N)=O)Cc2ccccc2)c(C=O)c1 2211286986 QZZRIBKZBNMHQW-UHFFFAOYSA-N 312.369 2.390 10 10 DECE CN(CCCn1cncn1)c1ccc(CN)c(Br)c1 2113766117 AMSTXGLBQVNWRX-UHFFFAOYSA-N 324.226 2.026 10 10 DECE COc1ccc(N(C)Cc2nn(C)nc2Br)cc1 2208439045 BBWGJQYQZKCKSJ-UHFFFAOYSA-N 311.183 2.223 10 10 DECE C/C(=C\c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccnnc1 1350268331 JEESRWNWDPFZNS-SHRNQRGKSA-N 324.384 2.487 10 10 DECE NCc1cc(F)c(N2C[C@@H]3CC[C@H](C2)O3)cc1Br 380771578 SXIVNWNYEXSRDM-AOOOYVTPSA-N 315.186 2.415 10 10 DECE Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(F)ccc1O 375261449 AJQQMWGKRMCPPA-HNNXBMFYSA-N 319.380 2.455 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(O)c(O)c1 724942752 ISKIDNHKAIMXSZ-GFCCVEGCSA-N 308.378 2.197 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O 827132410 MHPYBWLPGWYPBC-FZMZJTMJSA-N 308.809 2.455 10 10 DECE CN(Cc1ccc(Br)cc1O)CC1(CO)CC1 825628823 KHNGLDHZDDJEJF-UHFFFAOYSA-N 300.196 2.359 10 10 DECE Cc1cc(Br)cc(CN2CCn3nncc3C2)c1O 848921862 JCAKJKKVBPXPAQ-UHFFFAOYSA-N 323.194 2.070 10 10 DECE O=C1[C@@H](NCc2ccc3c(c2)CCCO3)CCN1C1CCC1 922299793 RLBQHVRMSXPGLL-INIZCTEOSA-N 300.402 2.255 10 10 DECE C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1c(O)cccc1F 928710330 BLLMQWQDYRCXRB-NWDGAFQWSA-N 311.353 2.122 10 10 DECE O[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 850389529 YZDJQRHVRCLXAO-IRXDYDNUSA-N 320.408 2.055 10 10 DECE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2nc[nH]c2C1 855023098 QTRSZPCNMWKVBF-SECBINFHSA-N 305.765 2.190 10 10 DECE CCOC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751930292 HHBQOVYALFAVHY-UHFFFAOYSA-N 320.370 2.036 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCOCC3)C2)cc1 855226078 PZGCEFONHSSNLY-GJZGRUSLSA-N 318.417 2.207 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)NC2)cc1 861562442 XRBLSZQCDLTKIB-HOCLYGCPSA-N 318.465 2.473 10 10 DECE CCN(CC)c1ccc(CNC(=O)C2CCN(OC)CC2)cc1 864927593 WEAPIPSJBPQBGW-UHFFFAOYSA-N 319.449 2.422 10 10 DECE COc1cc(Cl)cc(CN2CCCC[C@@H]2CC(N)=O)c1O 761195823 PHMSSSSIDCMXKW-GFCCVEGCSA-N 312.797 2.284 10 10 DECE COc1cc(N2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC 866229245 JEKRLGGHAOGRQU-SNVBAGLBSA-N 310.350 2.209 10 10 DECE COC(=O)c1oc(C(=O)NCc2ccc(N(C)C)cc2)cc1C 1118905121 GELJGRYSGWUEFF-UHFFFAOYSA-N 316.357 2.371 10 10 DECE COc1cccc(O)c1CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 770380418 HNFSXCUMCRPFFS-SUYBPPKGSA-N 307.390 2.169 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)N1CCc2ccccc2C1 776423141 LAYPFHRXNVEUCM-UHFFFAOYSA-N 312.369 2.408 10 10 DECE COc1cccc(CNC(=O)c2nnc(C(C)C)s2)c1O 799625030 BTCJHOAVGSSQMF-UHFFFAOYSA-N 307.375 2.306 10 10 DECE CC(C)[C@H](O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 1147039746 IAULQMWJZSBMMU-SNVBAGLBSA-N 309.387 2.449 10 10 DECE Nc1c(Cl)cc(F)cc1C(=O)NCCc1ccc(O)c(O)c1 1150488389 RBMYUQFLOWLUOU-UHFFFAOYSA-N 324.739 2.445 10 10 DECE CC[C@H](NC(C)=O)C(=O)NCc1c(O)ccc2ccccc12 1304090932 ULKYWBSLKHLEGC-HNNXBMFYSA-N 300.358 2.076 10 10 DECE NCCCN1CC2(CCCC2)Nc2cc3c(cc21)OCCO3 76930935 MMBOIURPTAMTJU-UHFFFAOYSA-N 303.406 2.351 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@]12COC[C@@H]1C2 715734692 ABNHJWRIYDNTLS-QPUJVOFHSA-N 302.143 2.172 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 1264287170 MGIFDPBXSCSQGQ-CGTJXYLNSA-N 312.413 2.470 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cccc2cc(O)ncc12 1445899365 DHJIRVURZVPNGW-UHFFFAOYSA-N 310.309 2.282 10 10 DECE O=C(NCCCSc1ccccn1)c1cccc(O)c1O 1627182594 XPOVCEJNMSSXOV-UHFFFAOYSA-N 304.371 2.405 10 10 DECE COc1ccc(CNC[C@H](C)CNC(=O)[C@H]2CCCO2)cc1C 1495613197 RJSXPVHKINEMES-SUMWQHHRSA-N 320.433 2.025 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCn2ncnc21 1631159394 MZKLNZWZNVFANT-CQSZACIVSA-N 314.389 2.300 10 10 DECE CN(C)c1ccc(CNC(=O)/C=C/[C@H]2COC(C)(C)O2)cc1F 1598028422 KFTMONMDKHULJC-CFNZNRNTSA-N 322.380 2.216 10 10 DECE CC[C@@H]1SC(=S)N(CCC(=O)NC2CCCC2)C1=O 11635812 GNZFVQLMSMHUPB-JTQLQIEISA-N 300.449 2.074 10 10 DECE CCOc1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1 1250972881 AKEOSXXREAPEIF-CQSZACIVSA-N 318.339 2.131 10 10 DECE CN(C)c1ccc(CNCC(=O)Nc2ccc3c[nH]nc3c2)cc1 1857854965 HNJMWHIIMAUGBD-UHFFFAOYSA-N 323.400 2.357 10 10 DECE Oc1ccc(Br)cc1CN1CCC2(CC1)CNC2 2028439825 AYUDRUNNAJMELM-UHFFFAOYSA-N 311.223 2.340 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c(Br)c1 2029644793 KPDLNXIFOXSCCU-PUYPPJJSSA-N 311.223 2.287 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H](O)[C@H]3C2)c(Br)c1 2033981594 FCNPTYDWFNBLQE-RTOGKPCTSA-N 312.207 2.319 10 10 DECE CN(C)[C@@H]1CC[C@H]1NCc1cc(Br)cc(F)c1O 2039961351 AZZKWVYPIVHGEY-VXGBXAGGSA-N 317.202 2.476 10 10 DECE CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1Cl 400854288 FLOVBFBUASLKJK-PHIMTYICSA-N 316.854 2.071 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 403635264 IFECXWQCJIKCJM-QMMMGPOBSA-N 302.306 2.428 10 10 DECE O=C(O)CCC1CN(Cc2cc(Br)ccc2O)C1 709331411 VPGUUQXTVVNUCD-UHFFFAOYSA-N 314.179 2.451 10 10 DECE CCNCc1ccc(N2CC(N(C)C)C2)c(Br)c1 382333326 GKGKVWGPQWLHQJ-UHFFFAOYSA-N 312.255 2.309 10 10 DECE CCN(c1ccc([C@H](C)N)cc1F)[C@@H](C)CS(C)(=O)=O 2170402247 FNHFGSRWSLALGG-QWRGUYRKSA-N 302.415 2.105 10 10 DECE OCc1ccc(N2CCC3(CC(O)C3)C2)c(Br)c1 2053751001 JXQDZQBMWSOZOS-UHFFFAOYSA-N 312.207 2.293 10 10 DECE CCCS(=O)(=O)CCN(C)c1ccc(CN)cc1Cl 2114054820 XZGCTEVYVHSEBV-UHFFFAOYSA-N 304.843 2.060 10 10 DECE OCc1ccc(N2[C@H]3CC[C@@H](O)[C@H]2CC3)c(Br)c1 2222295235 ZQWBSFTVKSWRSJ-LERXQTSPSA-N 312.207 2.434 10 10 DECE CSc1ncc(CNC(=O)c2ccc(NN)cc2C)s1 2284732133 YCXRQQMFTGZQIZ-UHFFFAOYSA-N 308.432 2.389 10 10 DECE CC(C)NC[C@@H](C)NCc1cc(Br)c(O)cc1O 2256019120 WLMYGUKDDZMTBY-SECBINFHSA-N 317.227 2.336 10 10 DECE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Cl 2279345659 SFYKWIRRSKXCIK-CMPLNLGQSA-N 316.854 2.201 10 10 DECE Cn1cnc(Br)c1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 2315663275 NYRZBZFBJGTYFR-ZETCQYMHSA-N 313.159 2.098 10 10 DECE NC[C@]12C[C@H](CCN1Cc1c(O)cccc1Br)C2 2318336732 YAMMLLUJXKUPHR-WJONMLJTSA-N 311.223 2.468 10 10 DECE COC[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C 5175055 GOOMMLDQGNVSSL-LBPRGKRZSA-N 319.430 2.330 10 10 DECE CN[C@@H](C)c1ccc(N2CCN(C)CC2)c(Br)c1 61693969 OOXMEQSGUOBUPE-NSHDSACASA-N 312.255 2.481 10 10 DECE Cc1cc(O)c(O)cc1CCNC(=O)COc1ccccc1 170208852 OHIBSMOSCGLJOY-UHFFFAOYSA-N 301.342 2.144 10 10 DECE COCCc1noc(CN(C)Cc2cc3c(cc2O)CCC3)n1 176933454 RYHBOBZUZSOEJI-UHFFFAOYSA-N 317.389 2.085 10 10 DECE CCN1CCCN(Cc2cc(Cl)c(F)cc2O)CC1=O 294577044 GTNPHSMEYDQVHZ-UHFFFAOYSA-N 300.761 2.239 10 10 DECE Oc1ccc(CNCc2coc(Br)c2)c(O)c1O 378987687 ZBJPGALZHOMTOV-UHFFFAOYSA-N 314.135 2.449 10 10 DECE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H](C)N(Cc2ccccc2)C1 382048259 LQFYHGWWDKSTOD-CJNGLKHVSA-N 317.393 2.093 10 10 DECE COc1cccc(O)c1CN(C)Cc1nc([C@H](C)OC)no1 769566401 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DECE C/C(=C/C(=O)N(C)c1cnc2ccccc2n1)c1cnccn1 1129478020 MYJMONKKYIZNNG-XFXZXTDPSA-N 305.341 2.486 10 10 DECE CCn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1=O 1141918000 LTIHQCMEJVIIAF-UHFFFAOYSA-N 313.317 2.283 10 10 DECE Cc1ccc(O)c(CNC(=O)c2nn(C)cc2Br)c1 1147962341 QOEZSDDIAGAHLM-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Cc1ccc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)c(O)c1O 1301134699 YZOBQEAAQZNIFH-UHFFFAOYSA-N 324.340 2.454 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](F)COC 1513794563 CLLGZQCPYKUFRW-ZDUSSCGKSA-N 322.384 2.167 10 10 DECE C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ncon1 1558503010 AANJVVVLZDVVNW-ZETCQYMHSA-N 319.342 2.229 10 10 DECE C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(O)c1O 1566701067 SUPKVDQQWAGVJL-BXKDBHETSA-N 307.371 2.401 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ccc(O)cc1O 1627073783 ULFDZABYVLPLHN-UHFFFAOYSA-N 310.309 2.282 10 10 DECE COc1ccc(CN[C@@H](CNC(=O)C2CC2)C2CC2)cc1C 1661102121 YOECRTZMDCKJEN-INIZCTEOSA-N 302.418 2.398 10 10 DECE COc1ccc(CN[C@H](CNC(=O)C2CC2)C2CC2)cc1C 1661102122 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2002734874 UXGXIORHSQHMRD-MRVPVSSYSA-N 305.191 2.334 10 10 DECE C[C@@H](O)c1ccc(N(C)C2(CO)CC2)cc1Br 2012612758 FSOWTQLVVBMZBL-SECBINFHSA-N 300.196 2.464 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H](C)CC(N)=O)c(Br)c1 2033935122 YSPUSQFQOXQYMR-IUCAKERBSA-N 315.211 2.203 10 10 DECE COC[C@@]12C[C@H]1CN(c1ccc(CN)c(Br)c1)C2 2046795149 VFZCDGDCUXDXGV-FZMZJTMJSA-N 311.223 2.381 10 10 DECE Oc1cccc(Br)c1CN[C@H]1C[C@H](n2ccnn2)C1 2127684466 XAEXSSVCDSXSFF-MGCOHNPYSA-N 323.194 2.240 10 10 DECE CC(C)N(CCS(C)(=O)=O)c1ccc([C@H](C)O)cc1F 2170175004 BFRVVXLNXIKKSE-NSHDSACASA-N 303.399 2.138 10 10 DECE COc1ccc(N(CCC(N)=O)Cc2ccccc2)c(CN)c1 2211285355 QMXYRVRHJMDPRA-UHFFFAOYSA-N 313.401 2.036 10 10 DECE COc1ccc(Br)c(CN[C@H]2CCC[C@@H]2O)c1O 2220462013 FLQHQVGQEUBZSW-QWRGUYRKSA-N 316.195 2.166 10 10 DECE CN[C@H]1CCC2(C[C@H]1Oc1ccc(N(C)C)cc1)OCCO2 2229371247 XPVPNOMOTNRWCB-JKSUJKDBSA-N 306.406 2.015 10 10 DECE C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc(CN)cc1Br)C2 2258348827 NFHVMVVIFPSDCN-GNXNZQSNSA-N 311.223 2.115 10 10 DECE CSc1ncc(CNC(=O)[C@H](N)Cc2ccccc2)s1 2284496751 HUMAWBGHQVBQJB-GFCCVEGCSA-N 307.444 2.051 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccccc1[N+](=O)[O-] 2307986243 IOBCALNRWRCYJG-UHFFFAOYSA-N 314.297 2.336 10 10 DECE CCCn1nccc1NC(=O)NCCc1ccc(O)c(O)c1 172043621 IQYOMNUOGRXCHU-UHFFFAOYSA-N 304.350 2.069 10 10 DECE CNCc1ccc(N2CCN(c3nccs3)CC2)c(C)c1 50559857 NDHQBQLDILOFNI-UHFFFAOYSA-N 302.447 2.498 10 10 DECE Cc1cc(C(=O)OCCCNC(N)=O)c(C)n1-c1ccccc1 174329310 FCSPYZMIIQGPAM-UHFFFAOYSA-N 315.373 2.309 10 10 DECE CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccncc2)SC1=S 26771449 VRGPCICABMEWHR-PFEDMVJOSA-N 322.411 2.392 10 10 DECE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(OC)cc1 63114505 HUXSMPSUIGTSCY-UHFFFAOYSA-N 306.387 2.493 10 10 DECE CC[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccccc1O 185211546 SDHKLYAFWCYRRM-JKSUJKDBSA-N 302.422 2.469 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCN2CCC[C@H]12 42412328 YNBUOUIIYZNKEU-QWHCGFSZSA-N 311.223 2.481 10 10 DECE CC(C)NCc1ccc(N(C)CCO)c(Br)c1 232808014 NPVOGHVTBQUTDL-UHFFFAOYSA-N 301.228 2.376 10 10 DECE CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(F)ccc1O 367830815 FFYGJKWTBZNENF-AWEZNQCLSA-N 315.410 2.321 10 10 DECE CN1[C@H]2CC[C@H]1CC(N1CCN(Cc3ccccc3O)CC1)C2 377691605 IAXTUBDVAKXTKG-IRXDYDNUSA-N 315.461 2.135 10 10 DECE COC(=O)[C@H](CF)NC(=O)c1sccc1-n1c(C)ccc1C 807842015 DORYYOMZBCDMRN-NSHDSACASA-N 324.377 2.397 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2cnn(CC)n2)cc1 293243791 WPXVHLFLSIYRAP-UHFFFAOYSA-N 301.394 2.074 10 10 DECE C[S@](=O)CC1CN(c2ccc(C=CC(=O)O)cc2Cl)C1 2166650598 KSHHXJYVFXTAHX-FQEVSTJZSA-N 313.806 2.253 10 10 DECE COc1ccc(O)c([C@H](C)NC[C@H](CO)c2cccnc2)c1 806178872 KHVQJXIBJCPWDF-GXTWGEPZSA-N 302.374 2.223 10 10 DECE CC(C)[C@](C)(CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 810172838 RBSMDQBBRKZHSJ-ZDUSSCGKSA-N 302.758 2.450 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 821064677 FTXFSGXONQICMH-OASPWFOLSA-N 301.346 2.105 10 10 DECE CN(C)c1ccc2c(c1)OCCN2Cc1cn(C2CCC2)nn1 825519380 DNIWWHHCLPTGCL-UHFFFAOYSA-N 313.405 2.468 10 10 DECE 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DECE Cc1ccc(CN2C[C@@H](F)[C@H](CO)C2)c(O)c1Br 2327623314 GDSITCGBEMJKFT-WDEREUQCSA-N 318.186 2.225 10 10 DECE Cc1ccc(CNCCC(=O)N(C)C)c(O)c1Br 2327623163 DWNYRUMROIBCCI-UHFFFAOYSA-N 315.211 2.031 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1O 177240148 JVVAUKDUXZUURV-CQSZACIVSA-N 324.808 2.301 10 10 DECE CN1CCc2cc(CNC3CN(C(=O)OC(C)(C)C)C3)ccc21 228691231 UCTVVWCMZJOZRH-UHFFFAOYSA-N 317.433 2.388 10 10 DECE CCCN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1 252373403 RDPQDGZYKIQPNB-CJNGLKHVSA-N 310.463 2.371 10 10 DECE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nccs1 255299384 HXPKFNGHQFBAGH-VIFPVBQESA-N 308.432 2.463 10 10 DECE CC(=O)C(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 808500095 VJBKLJPWAQVFSK-UHFFFAOYSA-N 315.325 2.284 10 10 DECE COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 813857336 SQBQAJKAXHQULQ-TXPKVOOTSA-N 317.477 2.451 10 10 DECE CC[C@H]1[C@H](CO)CCN1Cc1ccc(N2CCN(C)CC2)cc1 824636881 UUGVIOAFHJSWGS-HKUYNNGSSA-N 317.477 2.031 10 10 DECE O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc(O)c1O 848345978 AODPFBURTFAYBI-KWQFWETISA-N 319.279 2.328 10 10 DECE COC(=O)/C=C\c1ccc(N2CCOC(C)(C)C2)c([N+](=O)[O-])c1 915211949 MTMSZJGNZRWYLK-ALCCZGGFSA-N 320.345 2.396 10 10 DECE Cn1c2c(ccc1=O)[C@H](NCc1cc(F)ccc1O)CCC2 846123436 RUOQBBRLUMSRTF-CQSZACIVSA-N 302.349 2.397 10 10 DECE CC(C)(C)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1=O 928712162 ZURUSNPDBLUYRK-LLVKDONJSA-N 322.380 2.185 10 10 DECE COCC1(C2CCC2)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 855532434 QDIUAKLWKGKEFA-VURMDHGXSA-N 317.385 2.386 10 10 DECE CC(C)(C)OC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1 927858093 KURWVDDHLBFIIF-AWEZNQCLSA-N 319.405 2.013 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3[nH]c(C)nc3C)C2)cc1 857302294 MEPQBWBCILPTIV-ZDUSSCGKSA-N 314.389 2.044 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1 858911959 QTDDKGAMYVFKRW-KANYHAFZSA-N 320.389 2.329 10 10 DECE C[C@@H]1O[C@H](C)C[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 865690332 YHULBBHHIBBHTF-RVKKMQEKSA-N 303.450 2.094 10 10 DECE CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2[C@@H](C)[C@H](O)C3)c1O 879394496 IWTJCVUNLCCWRB-AFVAGHLYSA-N 307.365 2.468 10 10 DECE CC[C@@]1(O)CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 777839692 DCLGXEZWYQCCOI-GMNBZTITSA-N 320.345 2.132 10 10 DECE CN=c1[nH]cc(Br)c(=N[C@H](C)c2ccccc2O)[nH]1 1877588930 KQJOXCFEKLSHTD-MRVPVSSYSA-N 323.194 2.003 10 10 DECE COC(=O)CN(CCC[C@H](C)O)Cc1cc(Cl)ccc1O 789347495 FURVPBIBJGYHPK-NSHDSACASA-N 315.797 2.182 10 10 DECE C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@@H](C)O1 782920089 YXSWWMICDMBXIW-MGPQQGTHSA-N 305.422 2.460 10 10 DECE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N(C)C)c(F)c1 895865137 SIBBMKUOFVRPDP-ZFWWWQNUSA-N 324.396 2.092 10 10 DECE C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 896336181 IOHPMYKJLNGGRK-OAHLLOKOSA-N 307.371 2.469 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNCc1ccc(O)cc1O 1895221493 VGCSRPOSCXABOI-OLZOCXBDSA-N 322.405 2.348 10 10 DECE C[C@@H](NCc1cccc(Cl)c1O)C1CCS(=O)(=O)CC1 898219169 WAEUXUMYNPSGIM-SNVBAGLBSA-N 317.838 2.349 10 10 DECE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CCC[C@@H]1O 709432465 UFXHTQYWPUOJBU-KOLCDFICSA-N 317.202 2.397 10 10 DECE O=C1Nc2cc(N3CC[C@@H]4C[C@H]4C3)c(Br)cc2[C@H]1O 699185811 UQTNPQBPUFJMLF-BFHDXFOESA-N 323.190 2.281 10 10 DECE CCNCc1ccc(N2CC[S@@](=O)C[C@H]2C)cc1Cl 2115316269 ISQVNBSXEOMJNK-NSPYISDASA-N 300.855 2.407 10 10 DECE COc1cc(N(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC 1639485496 IBBUXIAJOAZKGK-NSHDSACASA-N 310.350 2.475 10 10 DECE COCc1cc(CNC(=O)c2c(F)ccc(O)c2O)ccc1F 1654324174 WJEPVCPKSFWWRN-UHFFFAOYSA-N 323.295 2.452 10 10 DECE O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1CCO 1858588301 XXPYXJSJNOYCIJ-UXBLZVDNSA-N 315.803 2.239 10 10 DECE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 1912188710 QMOURIXTVQALSW-MRVPVSSYSA-N 302.306 2.286 10 10 DECE OCC[C@@H](COCc1ccccc1)NCc1ccc(O)cc1O 1902793763 XUNIDRPWAYRERR-INIZCTEOSA-N 317.385 2.155 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 251349264 GDSBPCMWXIATFC-PWSUYJOCSA-N 316.854 2.244 10 10 DECE CC(C)N[C@@](CSc1nccs1)(C(N)=O)C1(Cl)CC1 2141533824 NXIXIEYXLVZBST-LBPRGKRZSA-N 319.883 2.229 10 10 DECE CN[C@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)COC1 1981661117 OTMOBHACEXWSOP-CQSZACIVSA-N 322.405 2.289 10 10 DECE C[C@H](O)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2005097088 XJLLUPSMFBLTIQ-QMMMGPOBSA-N 304.159 2.023 10 10 DECE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985104223 HISCXIQVQRELCU-LLVKDONJSA-N 323.397 2.402 10 10 DECE Cc1cnn(CCNCc2c(O)cccc2Br)c1 706809713 JYYKQNALGPVVDE-UHFFFAOYSA-N 310.195 2.449 10 10 DECE CCN1CC[C@@H](N(C)c2ccc(CO)c(Br)c2)C1 688459415 PLRGSNVEEVWBII-CYBMUJFWSA-N 313.239 2.472 10 10 DECE CN1[C@H]2CC[C@H]1CN(c1ccc(CN)c(Br)c1)C2 723930118 RJRJAGDOHKCPJW-STQMWFEESA-N 310.239 2.191 10 10 DECE C[C@@H]1[C@@H](C(=O)NCc2c(O)cc(O)cc2O)[C@@H]1c1ccccc1 2062996341 UJUKVARRGPMPSJ-PZDALLCQSA-N 313.353 2.469 10 10 DECE COc1ccc(O)c(CNC(=O)N=c2c(C)c[nH]cc2C)c1 2064468695 SYMRKXOENVTFKS-UHFFFAOYSA-N 301.346 2.156 10 10 DECE COc1ccc(Cn2nc(C(C)C)cc2C(=O)N(C)C)c(O)c1 2070084580 XALXRIJKAHBZFQ-UHFFFAOYSA-N 317.389 2.471 10 10 DECE CCc1nn([C@@H](C)c2ccc(OC)cc2O)c(N)c1C(=O)OC 2079978121 WEIODMZOTXLZDH-VIFPVBQESA-N 319.361 2.138 10 10 DECE Cn1ncc2c1CN(c1ccc(CN)c(Br)c1)C2 2049480809 KVKWSDFAYRNTRA-UHFFFAOYSA-N 307.195 2.162 10 10 DECE NCc1ccc(N2CCCC[C@H](O)C2)c(F)c1Br 2050106990 ADVBZOYHODZYPA-JTQLQIEISA-N 317.202 2.398 10 10 DECE O=C1CC(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 2053128325 NFQDUWIOCYUCBQ-UHFFFAOYSA-N 310.158 2.172 10 10 DECE Nc1cccc(F)c1S(=O)(=O)Nc1ccc(O)c(F)c1 2191765651 LWRDGDXWGLMHIC-UHFFFAOYSA-N 300.286 2.053 10 10 DECE C[C@@H](NCc1nn(C)nc1Br)c1ccccc1O 2072483986 LFVLHXSCMCURHI-MRVPVSSYSA-N 311.183 2.134 10 10 DECE CCNCc1ccc(N2CCN(C)[C@H]3C[C@@H]32)c(Br)c1 2112074683 AMUFFVFLZVLNAJ-GJZGRUSLSA-N 324.266 2.451 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(C(=O)/C(Cl)=C(/Cl)C(=O)O)CC1 2225795862 RDRIVXCDDCKLDE-WXIAHEHCSA-N 307.137 2.452 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cnnc(Br)c1 2260919023 RNLVEOOHXDJARP-MRVPVSSYSA-N 311.143 2.154 10 10 DECE CC(=O)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319414057 QKHBECKVJCLWKX-RKDXNWHRSA-N 305.446 2.404 10 10 DECE CCc1c(N)nnn1Cc1ccc(C)c(Br)c1O 2327789882 PQFKYRAFSJLKFX-UHFFFAOYSA-N 311.183 2.248 10 10 DECE COCCn1cc(NCc2c(O)cccc2Cl)ccc1=O 127290697 AKXAUABXKCKBPY-UHFFFAOYSA-N 308.765 2.466 10 10 DECE CC(=O)N(C(=O)Nc1cc(O)cc(O)c1)c1ccc(N)cc1 217311956 RXJVTZCGYMGBCJ-UHFFFAOYSA-N 301.302 2.265 10 10 DECE COc1ccc(O)c([C@H](C)NC[C@@H](C)CN2CCOCC2)c1 185504891 DQEJIFHDPILDKL-KGLIPLIRSA-N 308.422 2.020 10 10 DECE O=C(C1CCCC1)N1CCN(c2ccc3c(c2)OCCO3)CC1 41379979 SGCZKRZGDWJTKY-UHFFFAOYSA-N 316.401 2.297 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(Cl)nc1 232396042 MNFLYZRKRNOVGO-UHFFFAOYSA-N 320.157 2.290 10 10 DECE CN(Cc1cc(Cl)ns1)c1ccc2c(c1)NC(=O)[C@H]2N 2167208217 SGRAMQPMZRXILG-LBPRGKRZSA-N 308.794 2.385 10 10 DECE C[C@@H]1CNC[C@H]1CN(Cc1ccccc1O)C[C@@H]1CCCO1 903426827 OZSYJQIZTSBQCW-PVAVHDDUSA-N 304.434 2.229 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)C3)C2)cc1 849417350 PLAXUNSGMOYRLY-KBPBESRZSA-N 303.406 2.325 10 10 DECE Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnn2C)c(O)c1O 928367232 BOCOHIJBGMCZEI-CYBMUJFWSA-N 301.346 2.117 10 10 DECE CC(C)O[C@@]1(CNC(=O)N2Cc3cccc(O)c3C2)CCOC1 925766582 SPSJYHSVVGIGCK-QGZVFWFLSA-N 320.389 2.002 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ncccc3F)C2)cc1 855225381 KTCKOESGALILFA-LBPRGKRZSA-N 315.348 2.238 10 10 DECE C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1C 858282006 CFHURQWNPWAPLK-FSZRXZPDSA-N 304.434 2.425 10 10 DECE CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc3c(c2)CCO3)C1 850353445 DAFSSIBPNFXHRY-DJIMGWMZSA-N 305.418 2.277 10 10 DECE C[C@](O)(C[C@H](O)CNCc1ccc(N2CC=CC2)cc1)C1CC1 872203675 ABECDZNVHLEIPV-OALUTQOASA-N 316.445 2.064 10 10 DECE C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 897844247 GWYLFQVPXVRYML-KOLCDFICSA-N 320.414 2.477 10 10 DECE C[C@H](Oc1ccccc1F)C(=O)NCc1cc(O)ccc1O 1176748300 NVQWDFOIHCZBEY-JTQLQIEISA-N 305.305 2.321 10 10 DECE OCc1ccc(N2CC(n3cccn3)C2)c(Br)c1 707609722 VPXPYHWYGVBQDO-UHFFFAOYSA-N 308.179 2.199 10 10 DECE OCCN1CCCC[C@H]1CNCc1ccc(N2CCCC2)cc1 1325128436 LGIFXBKPQRHZKH-IBGZPJMESA-N 317.477 2.223 10 10 DECE Nc1ccc(CCC(=O)NC2CCC3(CC2)OCCO3)cc1 715607992 WDOTUMBYODMYMK-UHFFFAOYSA-N 304.390 2.003 10 10 DECE C[C@H](O)c1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694161498 TWYPWRGKXPRTTK-JTQLQIEISA-N 305.827 2.264 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2Cc3cccnc3C2)cc1F 1345766778 YRCNWFCBLQFURW-CQSZACIVSA-N 313.376 2.318 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CC2CCC2)cc1 1298341632 QADPGPJOSYKPRY-CYBMUJFWSA-N 304.350 2.130 10 10 DECE C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Cl)c1O 1457039717 ZVUHORCWWRMCFJ-SECBINFHSA-N 322.748 2.073 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc2[nH]cnc12 1556515768 LMPUILSAQCOFFK-UHFFFAOYSA-N 317.345 2.079 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1CCNC2=O 1639115358 UFEGEWXZRAWWEO-ALCCZGGFSA-N 324.336 2.036 10 10 DECE Cc1ccc(O)c(CNC(=O)c2ccn(-c3ccncc3)n2)c1 1557553560 PXEDVOYYSGWFAA-UHFFFAOYSA-N 308.341 2.211 10 10 DECE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(N(C)C)n1 1566728874 NGOHIHVHOBGVCR-UHFFFAOYSA-N 301.346 2.048 10 10 DECE CCCN[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1571419028 JICIXUOLNDHQKV-NSHDSACASA-N 305.382 2.309 10 10 DECE CC(C)OC(=O)C(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 1653471519 CVELFXRYMGFOPR-UHFFFAOYSA-N 320.349 2.309 10 10 DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc(Cl)c2cccnc12 166528155 KFBLPBFDWXUQCO-LBPRGKRZSA-N 304.741 2.315 10 10 DECE CCOC(=O)CCN(C)/N=N/c1ccc(N2CCOCC2)cc1 1860487894 SVQVFKHYQJVBCF-ISLYRVAYSA-N 320.393 2.407 10 10 DECE C[S@@](=O)CC1(C)CN(c2cc(Cl)c(CN)cc2F)C1 2129777470 BIQTZIUBLBXSDD-LJQANCHMSA-N 304.818 2.143 10 10 DECE C[C@H]1[C@@H](O)CCN1c1ccc(CN)c(Br)c1F 1914283594 UQTOYWBJGBZCBI-XVKPBYJWSA-N 303.175 2.006 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H]2C)cc1Br 1914406686 RNQOVLMYBVFDBN-KKFJDGPESA-N 300.196 2.462 10 10 DECE O=C(CN(CCCO)Cc1ccccc1)c1ccc(O)c(O)c1 1914613569 HKOYDVWRGRRKND-UHFFFAOYSA-N 315.369 2.165 10 10 DECE Cc1ccc(O)c(CN[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 1937554412 JYAAKLOVCKRFJD-KBPBESRZSA-N 322.405 2.082 10 10 DECE Nc1ccc(N2C(=O)[C@]34CCC[C@]3(C4)C2=O)c(Br)c1 2142230867 JCGGQALHXULGPR-OKILXGFUSA-N 321.174 2.465 10 10 DECE CN1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1c1c(N)cccc1O 1953067553 GUQJSKVYYGVRQC-ZYHUDNBSSA-N 307.394 2.244 10 10 DECE OC[C@H]1C[C@](F)(CNCc2c(O)cccc2Br)C1 1974388545 GHOTVYIXOGIXSV-SWZMTVOYSA-N 318.186 2.355 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1985094442 OYNQRSFAEUDKOB-IQMDTDKHSA-N 321.381 2.201 10 10 DECE Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986130443 PAFQENWVGUSTGQ-KBPBESRZSA-N 321.421 2.359 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1994848629 PBYJFGUVNBWHII-QWRGUYRKSA-N 323.397 2.496 10 10 DECE O[C@@H]1CN(c2ccc(CNC3CC3)cc2Cl)CC1(F)F 2152096113 KHWUNFOPBIUPSD-CYBMUJFWSA-N 302.752 2.408 10 10 DECE C[C@@H]1CCN(c2ccc(CO)cc2Br)C[C@@H]1CO 700397171 AMKNFCUJIZYEMT-ZYHUDNBSSA-N 314.223 2.396 10 10 DECE CNC(=O)CCN(C)c1ccc([C@H](C)N)cc1Br 723189796 SIHZFGHSMMVVAE-VIFPVBQESA-N 314.227 2.041 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)[C@@H](C)c1cc(F)ccc1O 2170510932 DWKJHQYCMJEQAM-MNOVXSKESA-N 303.399 2.347 10 10 DECE CN(Cc1cc(Cl)ccc1O)CC1(F)COCCOC1 2187196695 SFUZFXDASDEKNL-UHFFFAOYSA-N 303.761 2.233 10 10 DECE CC(C)S(=O)(=O)CCN(C)Cc1ccc(Cl)cc1O 2114146343 XJTPOGCTTQNEDC-UHFFFAOYSA-N 305.827 2.301 10 10 DECE CS[C@H]1CN(c2ccc(CO)cc2Cl)C[C@@H]1N(C)C 2114277056 LQFVLMLOOOWLQN-KBPBESRZSA-N 300.855 2.314 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 2235846894 HFFWPEGFNYTXOJ-QMMMGPOBSA-N 302.306 2.428 10 10 DECE CSc1ncc(CNCC[C@@H]2COC(C)(C)CN2)s1 2269305135 UTSDQESONCAOJH-SNVBAGLBSA-N 301.481 2.112 10 10 DECE Cc1ccc(/C=C/C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cn1 492548161 NXFXMOXJYBCGKF-ROJDOSBLSA-N 321.380 2.409 10 10 DECE Cc1c(C=CC(=O)N2CCSc3ccncc32)cnn1C 2304260643 HVWNQMLHEFGYLC-UHFFFAOYSA-N 300.387 2.276 10 10 DECE CC(C)CC[C@@](C)(O)CNC(=O)C=Cc1ccc(O)c(O)c1 2308001715 JFXDLAKLUBTZQM-QGZVFWFLSA-N 307.390 2.414 10 10 DECE Cc1ccc(CN2CCS(=O)CC2)c(O)c1Br 2307446207 JAKIFJKESSNDQW-UHFFFAOYSA-N 318.236 2.027 10 10 DECE C[C@@H]1CC(Sc2nccs2)(C(=O)O)C[C@@H](C)S1(=O)=O 2352676388 OYKRJOVPUVCRKB-HTQZYQBOSA-N 321.445 2.044 10 10 DECE O=C(CCc1ccccc1)NC1=NN(c2ccccc2)C(=O)C1 8906451 QQNVUBLXXCXCNP-UHFFFAOYSA-N 307.353 2.486 10 10 DECE CCN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)C1CC1 118589845 HNRRYCQPXKNLGD-LBPRGKRZSA-N 310.195 2.390 10 10 DECE Nc1ccc(CCCn2cncc(Br)c2=O)cc1 122732811 AUNSSGKTEBMZBS-UHFFFAOYSA-N 308.179 2.221 10 10 DECE COc1ccc(N2CCCN(C(=O)C3=COCCC3)CC2)cc1 170963497 XLIKDQULHNGSHN-UHFFFAOYSA-N 316.401 2.428 10 10 DECE COc1cccc(CN2CCN(c3cccs3)C(=O)C2)c1O 185669353 WZAKAESOMHXMQT-UHFFFAOYSA-N 318.398 2.311 10 10 DECE O=C(O)c1nc(-c2ccc(O)c(O)c2)ncc1Br 236487878 FRLDCWHSVGWORU-UHFFFAOYSA-N 311.091 2.016 10 10 DECE COc1cccc(CN2CCN(c3cccc(O)c3)CC2)c1O 121647964 GYMAJUZOCOZIHF-UHFFFAOYSA-N 314.385 2.429 10 10 DECE COC[C@@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 73835429 XOILOQKSNAIDKU-LHRNQBEKSA-N 305.374 2.115 10 10 DECE COC(=O)C[C@@H](N)c1ccc(Cl)c(Br)c1O 95717044 QYOVFAUJWFWFTK-SSDOTTSWSA-N 308.559 2.371 10 10 DECE COc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)c(O)c1 529228999 PVKCDSNTKUYUHY-GXFFZTMASA-N 314.179 2.191 10 10 DECE Cn1cc(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1 263676366 LIFRNRRYMGVCIF-UHFFFAOYSA-N 310.741 2.020 10 10 DECE CCOc1ccc(CN2CCc3sc(CN)nc3C2)c(O)c1 903941250 UEYQTMUKNYGVKD-UHFFFAOYSA-N 319.430 2.264 10 10 DECE CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc2cccnc2c1O 911261722 LFYCSMQMNSJUGQ-CKUKBARFSA-N 300.358 2.228 10 10 DECE COc1ccc(O)c(CNC(=O)c2cnn3c2C[C@@H](C)CC3)c1 843832200 UQPSUZDRXNUGNU-NSHDSACASA-N 315.373 2.110 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H](C3CC3)N2)c1 846676706 IQDVQZWFJIQPNZ-LKTVYLICSA-N 304.390 2.109 10 10 DECE C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)ccc1O 846189364 KPIVIJPYPIEATD-MRTMQBJTSA-N 313.195 2.069 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CCCCN(C)C)C2)cc1 855232763 XLSHGDVARTXROL-OAHLLOKOSA-N 319.449 2.122 10 10 DECE COCCC1CN(C(=O)NCc2ccc(N(C)C)cc2C)C1 853748377 CTOFLTQNBKHKLD-UHFFFAOYSA-N 305.422 2.239 10 10 DECE CCO[C@@H](CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228489 BEROTHDNLRBTRJ-BBRMVZONSA-N 306.406 2.205 10 10 DECE COc1cc(N2CC[C@@H]3[C@H](CCN3C)C2)c([N+](=O)[O-])cc1OC 866206907 GHKDLNCEBOWWLM-VXGBXAGGSA-N 321.377 2.142 10 10 DECE COCc1nc(C(=O)NCc2ccc(N(C)C)cc2C)co1 775861730 UTDZFQVKVKYAMN-UHFFFAOYSA-N 303.362 2.125 10 10 DECE COC(=O)N[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 895849435 XXVOEVUFUBVLDR-JTQLQIEISA-N 302.733 2.115 10 10 DECE C[S@@](=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1136794248 HMSAXAPPIZAMNK-JOCHJYFZSA-N 319.382 2.158 10 10 DECE CCn1nccc1CN(CCO)Cc1cccc(Cl)c1O 793304042 JBZSIGVLAQUQFL-UHFFFAOYSA-N 309.797 2.257 10 10 DECE C[C@H]1OCC[C@@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 794657767 HNFPVKWHLGQVCL-FZKQIMNGSA-N 303.402 2.261 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1Cc2ccccc2S1 1303223457 QGKFYGDGILGTMY-HNNXBMFYSA-N 301.367 2.431 10 10 DECE O=C1NCC[C@@H]1CCNCc1cc(Cl)cc(Cl)c1O 1887179595 KVEHFKZCAGSDDX-QMMMGPOBSA-N 303.189 2.315 10 10 DECE CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2c(O)cccc2F)C1(C)C 1312370743 WYDSFXSNBXWAPZ-CUOATXAZSA-N 310.369 2.390 10 10 DECE Cc1cc(C(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccccn1 1328808904 HMYPORBGEUGBEW-GOSISDBHSA-N 311.385 2.494 10 10 DECE Cc1cc(COCC(=O)Nc2c(Cl)ccc3nonc23)no1 1525321977 GPZNDDNJURYZNZ-UHFFFAOYSA-N 322.708 2.328 10 10 DECE CN1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1 1472028458 DCKXTTDQWVJIHP-AWEZNQCLSA-N 320.414 2.383 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCOC2(CCC2)C1 1628000123 SZCMAHGEXVXAGG-CYBMUJFWSA-N 305.374 2.106 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2ccsn2)cc1C 1493596308 WRXDGJBRRMIQHQ-UHFFFAOYSA-N 319.430 2.322 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2ccn(C)c2)cc1C 1732994217 NIHMSPRDGMLOST-AWEZNQCLSA-N 315.417 2.250 10 10 DECE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(-c2ccoc2)n1 1570462559 ZBPDMIZJMDPCMF-UHFFFAOYSA-N 313.313 2.021 10 10 DECE CCN(CC)CCCCNC(=O)[C@@H](C)Oc1ccc(N)cc1 1860082974 ZUPKRUVUVQFKRQ-CQSZACIVSA-N 307.438 2.274 10 10 DECE NCc1ccc(N2Cc3cncnc3C2)c(F)c1Br 2141264032 TYTJXCQKGPTBRB-UHFFFAOYSA-N 323.169 2.357 10 10 DECE CN(CC1(O)CCC1)c1ccc(CN)c(Br)c1F 1914579277 YOOQJJCRIMMSLQ-UHFFFAOYSA-N 317.202 2.398 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1900611983 AZFXCMYKSXGPNG-NSHDSACASA-N 323.397 2.402 10 10 DECE CO[C@H]1CN(Cc2cccc(Br)c2O)C[C@H]1F 1942647723 LGZISZYWGZPOAO-MNOVXSKESA-N 304.159 2.323 10 10 DECE O=C(N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2)c1cccc(O)c1O 1950062008 UEQYJKIFMSBTGJ-AUUYWEPGSA-N 324.380 2.102 10 10 DECE C[C@H](N[C@@H]1CCS(=O)(=O)[C@H](C)C1)c1cc(F)ccc1O 2143960583 OCIFCGWQZYSQEM-JFGNBEQYSA-N 301.383 2.148 10 10 DECE C[C@H]1OCCO[C@H]1CNCc1cc(Br)ccc1O 2027191680 FZSNFLKZNZQBJT-RNCFNFMXSA-N 316.195 2.048 10 10 DECE O=C(O)[C@@H]1C[C@@H](F)CN1Cc1cc(Br)ccc1O 2034478820 GBYIWKDHLFNWKC-ZJUUUORDSA-N 318.142 2.152 10 10 DECE N[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1C(F)F 2040867627 GUMKYMCGLCFAAU-VHSXEESVSA-N 321.165 2.179 10 10 DECE Cc1nnc(CN(C)c2ccc(CN)c(Br)c2)o1 2051780489 TUBIFLACDGWATJ-UHFFFAOYSA-N 311.183 2.236 10 10 DECE CN[C@@H](C)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2052740640 OIUHHICLYRKYAG-VIFPVBQESA-N 317.202 2.250 10 10 DECE CC1(C)C[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)CCN1 2199690282 QOUGOVTXVSFVDX-SNVBAGLBSA-N 318.826 2.318 10 10 DECE Cn1cc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])n1 2218737387 HDEWZSGEZNEUOL-SFYZADRCSA-N 313.159 2.144 10 10 DECE OCc1ccc(N2C[C@H](O)CCC23CC3)cc1Br 2220280700 RPLVEKLZYKJNBW-GFCCVEGCSA-N 312.207 2.435 10 10 DECE C[C@@H](CF)N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 2257933287 GOBMHWGTMZQYRQ-UPONEAKYSA-N 316.174 2.195 10 10 DECE Cc1ccc(CN[C@H](C)C(=O)N(C)C)c(O)c1Br 2327623271 FVIQMPAFZCWQEC-SECBINFHSA-N 315.211 2.029 10 10 DECE Cc1ccc(CN[C@H](C(N)=O)C(C)C)c(O)c1Br 2327619020 PYKOAQAYCKQPOV-NSHDSACASA-N 315.211 2.063 10 10 DECE COc1ccc([C@@H](C)NC(=O)c2cc(O)nc(O)c2)cc1OC 170223127 AOAPNSOPJGCQFW-SECBINFHSA-N 318.329 2.001 10 10 DECE Cc1n[nH]c([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n1 180109287 SCGULRXIANCMQR-HNNXBMFYSA-N 302.378 2.009 10 10 DECE CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 187870321 YVSBAQQOBVNVPV-OLZOCXBDSA-N 309.385 2.258 10 10 DECE C[C@@H]1CCC[C@H](CS(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])O1 2364100428 IZKVPXZNUNJCMH-WYUUTHIRSA-N 302.400 2.095 10 10 DECE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@@H]1O 380651640 YLMSQVRAAVTRFJ-OQPBUACISA-N 317.202 2.254 10 10 DECE Oc1cc2c(cc1CN1CCOC3(CCOCC3)C1)CCC2 131278292 ZIPGJCHQENMPNU-UHFFFAOYSA-N 303.402 2.262 10 10 DECE CCNCc1ccc(N2CCN(C)CC2)c(Br)c1 233528649 CDDWYULIPRWANF-UHFFFAOYSA-N 312.255 2.310 10 10 DECE Cn1ccc(C(=O)NCc2cc(Br)ccc2O)c1 804736994 HTKDKKMOXJUYNM-UHFFFAOYSA-N 309.163 2.423 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 826845519 JZJUVOSYLXBPFX-RLFYNMQTSA-N 302.418 2.431 10 10 DECE C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)N1CCO 835055708 YAHGMDNLCNVWPU-YKZUCCNHSA-N 317.477 2.153 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)n2cccn2)c1 830540497 LEEYRGFVIKWVQJ-LLVKDONJSA-N 303.362 2.210 10 10 DECE Cc1cc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 840938243 AABZUMHGSDSJTG-LLVKDONJSA-N 317.838 2.363 10 10 DECE COc1ccc(CN[C@@H](C[C@@H](OC)C2CC2)C(=O)O)cc1C 846777791 CLRSTEVVOPZNPS-GOEBONIOSA-N 307.390 2.362 10 10 DECE Cc1cc(O)c(CN2CC(n3cc([C@H](C)O)nn3)C2)c(Cl)c1 840935853 ASVYEYQRXMNJOO-JTQLQIEISA-N 322.796 2.056 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]([C@H]2CCCO2)C1 924461850 SFGDIJNTYCWZMB-MMYIBNFYSA-N 303.358 2.139 10 10 DECE C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc(Br)cc1O 858494584 LCFJWEGGHIFGTI-NRPADANISA-N 313.195 2.069 10 10 DECE COc1ccc(N2CC[C@@H](Nc3cc4nncn4c(C)n3)C2)cc1 853759588 XHKCNPMMODKBLJ-CYBMUJFWSA-N 324.388 2.132 10 10 DECE CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(O)cccc1OC 769120318 KWYHKGOKCSWHAY-AWEZNQCLSA-N 306.406 2.234 10 10 DECE CC1(C)OC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)O1 896973457 MYWXUEGIOGHYGV-SECBINFHSA-N 323.370 2.194 10 10 DECE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1O 894531803 DIMTVRZUYRTFMJ-BHYNMZESSA-N 311.328 2.444 10 10 DECE C[C@@H](O)c1ccc(N(C)[C@H]2C[C@@H](O)C2)c(Br)c1 2212790025 OTOCXYPIUAIIIS-IEBDPFPHSA-N 300.196 2.462 10 10 DECE C=CC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1304053879 UXHPJMZKSQSIJS-UHFFFAOYSA-N 312.325 2.152 10 10 DECE C[C@]12CCCC[C@H]1CN2C(=O)C(=O)N1Cc2cccc(O)c2C1 1329449516 MJINLYXVQONQRW-UGSOOPFHSA-N 314.385 2.026 10 10 DECE C[C@@H]1CNc2c(C(=O)NCc3cccc(Cl)c3O)cnn2C1 1348010248 AFGAQKBGRPPCCC-SECBINFHSA-N 320.780 2.234 10 10 DECE O=C(/C=C/c1cnc2ccccc2n1)NCc1c(O)cccc1O 1456234308 CWGPWLRNTQYSPW-CMDGGOBGSA-N 321.336 2.371 10 10 DECE Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)cccc1O 1456237597 UYGRTOVFODHFPL-UHFFFAOYSA-N 302.286 2.244 10 10 DECE C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1465900112 NQQGATRHLYQTCH-IINYFYTJSA-N 315.377 2.062 10 10 DECE O=C(Nc1ccn(-c2ccncc2)n1)c1c(F)ccc(O)c1O 1472511249 UDSIMDZKFFMCMU-UHFFFAOYSA-N 314.276 2.070 10 10 DECE CC(C)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 1623316581 XZJNVVDOIHKGCC-MRXNPFEDSA-N 303.450 2.489 10 10 DECE CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(=O)OCC 1629959771 NKCUYSWSILFYIA-ZIAGYGMSSA-N 305.374 2.330 10 10 DECE C[C@H]1C(=O)CC[C@@H](C(=O)NCc2c(O)cccc2O)C1(C)C 1639292861 TXTPCPZFSYWMMN-JQWIXIFHSA-N 305.374 2.355 10 10 DECE C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1O 1642827207 BYUYEZIAHSRPNT-NSHDSACASA-N 316.332 2.139 10 10 DECE Cc1cccc2c1O[C@@H](C(=O)NCc1c(O)cccc1F)C2 1646035530 XWXJZUAMKVLMPB-OAHLLOKOSA-N 301.317 2.460 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1c(O)cccc1Cl 2141090311 XIOMCDOEHRTVEO-AAEUAGOBSA-N 303.811 2.101 10 10 DECE CC(C)(C)OC(=O)NCCONCc1cccc(F)c1O 1928516175 WUYORUIQMBCRPM-UHFFFAOYSA-N 300.330 2.077 10 10 DECE CCNC1CN(Cc2cc(Br)cc(F)c2O)C1 1947792230 WQUBQTGUTHUHTN-UHFFFAOYSA-N 303.175 2.088 10 10 DECE Nc1ccc(CC(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1 1950099070 XALBSTMCKYNTEN-YLJYHZDGSA-N 321.424 2.202 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1cc(O)c(O)c(O)c1 1952608534 QELFOWCSPXDVPU-ZWNOBZJWSA-N 324.377 2.203 10 10 DECE CCOC(=O)[C@@H]1CCN[C@@H]1c1cc(Br)ccc1O 1952825326 ILBUXILRBUFLFK-SKDRFNHKSA-N 314.179 2.368 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NCc1ccc(O)c(O)c1 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2.415 10 10 DECE CCCS(=O)(=O)CCN(C)Cc1cccc(Cl)c1O 2114147127 FUOVZWDJOXLBGL-UHFFFAOYSA-N 305.827 2.302 10 10 DECE CCCN[C@](CO)(CSc1nccs1)C1CCOCC1 2208105152 CMIOMDWVMSUBCZ-CQSZACIVSA-N 316.492 2.393 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1cccc(F)n1 2228588113 LYARXTDHKSQILP-UHFFFAOYSA-N 302.714 2.381 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCNC[C@H]2C(C)C)s1 2284496333 FWWUNGANTIFIKT-NEPJUHHUSA-N 313.492 2.363 10 10 DECE COc1cnccc1[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2310805893 XHYWWIKEPOWJLI-LLVKDONJSA-N 314.341 2.392 10 10 DECE Cc1ccc(CN2C[C@H]3CC[C@H]2[C@@H]3N)c(O)c1Br 2327622424 XXJZROIESSVRGP-SUZMYJTESA-N 311.223 2.385 10 10 DECE CC(C)CNCc1cc(F)c(N2CCS(=O)CC2)c(F)c1 62737406 YAPQOCYREPCRBR-UHFFFAOYSA-N 316.417 2.279 10 10 DECE C[C@@H](c1ccccc1O)N(C)C(=O)CSC1CCNCC1 127155486 LDTVSULLUUTMAO-LBPRGKRZSA-N 308.447 2.397 10 10 DECE COc1cccc(CNC(=O)Nc2cc(O)c(O)c(O)c2)c1 217278979 MBFUCIBOIWPISE-UHFFFAOYSA-N 304.302 2.134 10 10 DECE CCN(CC)c1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1F 128123600 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CCCN(CCC)S(=O)(=O)Nc1ccc(O)cc1OC 901703116 BIAVTDGYLBVBHQ-UHFFFAOYSA-N 302.396 2.180 10 10 DECE COc1ccc(N2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 853758572 HPIZIYRFSSRBMO-LLVKDONJSA-N 317.349 2.028 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)o3)C2)cc1 855222802 APDWFOHDVXCGDM-LBPRGKRZSA-N 316.357 2.306 10 10 DECE CS(=O)(=O)[C@H]1CCCCN(Cc2cc3c(cc2O)CCC3)C1 766666337 OVQQWVQJBWUMSU-INIZCTEOSA-N 323.458 2.280 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccnn1C 869180608 YGJGISCDYMAOGZ-CYBMUJFWSA-N 315.421 2.355 10 10 DECE CN1CCCc2cc(CNC(=O)NCC[C@@H]3CCOC3)ccc21 784543031 XXKUBJKIPOGZSJ-CQSZACIVSA-N 317.433 2.295 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3nonc3c2)c1 1137473717 SRGSUNPUJKDLJE-SECBINFHSA-N 313.313 2.428 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1 899625553 BNWSYJAEWULPEA-GXTWGEPZSA-N 316.361 2.490 10 10 DECE Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccncn1 1082512366 FWZCEOWOFRYIMO-IZZDOVSWSA-N 316.411 2.373 10 10 DECE COC1(CNc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 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2.160 10 10 DECE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1c(O)cccc1F 1596911943 JEZBZOVYMWOKEU-NSHDSACASA-N 319.332 2.107 10 10 DECE COc1cccc(CNC(=O)CCn2ccnc2C(C)C)c1O 155448097 PPAOYXDWUNRGMK-UHFFFAOYSA-N 317.389 2.427 10 10 DECE O=C(NCCCSc1nccs1)N[C@H]1CCCC[C@H]1O 154613138 HVDOIMIYZIDUIP-WDEREUQCSA-N 315.464 2.228 10 10 DECE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 1914360946 TVWUOUWFQMZRCE-PXAZEXFGSA-N 311.385 2.026 10 10 DECE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@@H](N)c1ccccc1O 1919816379 PWEHADRHCSTRFP-ZQIUZPCESA-N 324.421 2.446 10 10 DECE Cc1cccc(CNS(=O)(=O)c2ccc(Cl)o2)c1O 2139750831 MRNIBOZOYPCSRM-UHFFFAOYSA-N 301.751 2.426 10 10 DECE COC(=O)CCC[C@H](N)c1c(O)cccc1Br 1951735724 MFSGXZPITOSIMA-VIFPVBQESA-N 302.168 2.498 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 1984988607 NSSKOXRIKDCAON-CHWSQXEVSA-N 320.389 2.264 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@H]2C[C@H]1CO2 715773811 TYIWVMOYXHAKDX-VHSXEESVSA-N 302.143 2.267 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCC1)C(F)(F)F 2064012702 RIXNVXMMYMYTTH-CYBMUJFWSA-N 303.280 2.488 10 10 DECE CN(C)C1(C)CN(c2cc(Br)c(CN)cc2F)C1 2042515317 SZXGTPRAWJTPGQ-UHFFFAOYSA-N 316.218 2.187 10 10 DECE CNCc1ccc(N2C[C@@H](O)C[C@H](F)C2)c(Br)c1 2219167579 QZIKTUCHYJVGSD-QWRGUYRKSA-N 317.202 2.078 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@]3(O)C[C@H]3C2)cc1Br 2254033328 AUWMWHVFZUCMIC-BFVZDQMLSA-N 312.207 2.464 10 10 DECE CSc1ncc(CNC(=O)CC2(N)CCSCC2)s1 2269087679 NHKDGNLKIXFLPF-UHFFFAOYSA-N 317.505 2.096 10 10 DECE Nc1ccc(OCCS(=O)(=O)CCC2CC(F)C2)cc1 2285666407 ZYGPHLSBMUITCK-UHFFFAOYSA-N 301.383 2.201 10 10 DECE CN(C)C[C@@H]1COCCN1Cc1cc(Cl)cc(Cl)c1O 1203581887 CKLRMCFKQIDSAE-GFCCVEGCSA-N 319.232 2.461 10 10 DECE CSc1ccc(/C=C2\SC(N(C)CCO)=NC2=O)cc1 6734256 QOPBKGZWQSGRGT-XFXZXTDPSA-N 308.428 2.303 10 10 DECE COc1ccc(O)c(CNC(=O)NCCc2ccccc2)c1 172019486 FFJINFCIFNFHMF-UHFFFAOYSA-N 300.358 2.443 10 10 DECE C[C@@H](CC[S@](=O)CC(=O)c1ccc(O)c(O)c1)C(F)F 2364116102 DLNSVXHBBVHAAS-FHZGZLOMSA-N 306.330 2.321 10 10 DECE C[C@@H](NCC[S@@](C)=O)c1ccc(Br)cc1O 134921902 FWPPJYGJLPPILO-BCTVWOGZSA-N 306.225 2.184 10 10 DECE Cc1ncc(CN(C)C(=O)CCOc2ccc(N)cc2)s1 40328668 SPUSPRYUGCYDPF-UHFFFAOYSA-N 305.403 2.461 10 10 DECE CC1=NN(c2cccc[n+]2C)C(=O)/C1=C/c1ccc(N(C)C)cc1 148477122 FVBCOVPCWPRBFC-GHRIWEEISA-N 321.404 2.383 10 10 DECE Cc1cnc(CNC(=S)Nc2ccccc2C(N)=O)c(C)c1 243215106 KHIAYZBTTYMPHC-UHFFFAOYSA-N 314.414 2.284 10 10 DECE O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(O)c1O 248787120 WNCJRZNTMRYGLU-KCPJHIHWSA-N 303.358 2.175 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1C(F)F 801083949 SNQLCMAQZBTFMG-GJZGRUSLSA-N 324.371 2.383 10 10 DECE O=C(Nc1cn(Cc2ccccc2)nn1)c1cc(O)cs1 802601560 XZNWQHOCCJVQMJ-UHFFFAOYSA-N 300.343 2.346 10 10 DECE CC[C@@H]1[C@@H](O)CCN1c1ccc(CO)cc1Br 2251034733 BHACQHWDPGRLNT-YPMHNXCESA-N 300.196 2.291 10 10 DECE CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)[C@@H]2C)cc1F 838392582 WCMMYHKJKAQCFA-BLLLJJGKSA-N 323.412 2.337 10 10 DECE Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 840949924 CKTHRHYNXTVMEZ-UHOSZYNNSA-N 318.461 2.423 10 10 DECE Nc1ccc(CCNC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1 841961003 YZFCHOZVGNPYCF-KRWDZBQOSA-N 324.428 2.481 10 10 DECE COc1cccc(CN2CCc3cc(Cl)nnc3C2)c1O 843418134 ISLLEDJJYMRUFA-UHFFFAOYSA-N 305.765 2.403 10 10 DECE Oc1cc2c(cc1CN1CCC[C@]3(C1)CC3(F)F)[C@@H](O)CO2 844751838 WBQYRYQFIXRGNO-DZGCQCFKSA-N 311.328 2.439 10 10 DECE Cc1cc(CN2CCC(c3nc(N)n[nH]3)CC2)ccc1N(C)C 852055870 DTXKCSJPKAXIIR-UHFFFAOYSA-N 314.437 2.141 10 10 DECE COC(=O)c1cc(OCc2cn(C)nc2C)ccc1N(C)C 865395056 HMFJKKUBUZIZFJ-UHFFFAOYSA-N 303.362 2.160 10 10 DECE O=C(c1cc(O)cs1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 769354479 NAAYZPWGPYDISI-JQWIXIFHSA-N 323.370 2.011 10 10 DECE C[C@H](NC(=O)CN1Cc2ccccc2C1=O)c1ccccc1O 1151892340 ODXJFAGKDGLXIY-LBPRGKRZSA-N 310.353 2.225 10 10 DECE CC(C)(C)OC(=O)CCCC(=O)NCc1cc(O)ccc1O 1303225731 OVMWLIKJKIAOJX-UHFFFAOYSA-N 309.362 2.226 10 10 DECE CCOc1ccc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)cc1 1319870906 QJSMCQAGCYHNMW-GOSISDBHSA-N 318.417 2.303 10 10 DECE CCn1ncc(CN(C)c2ccc(CN)c(Br)c2)n1 2115773437 AXEDFPDDMKOLMJ-UHFFFAOYSA-N 324.226 2.156 10 10 DECE O=C(NCc1ccccc1O)c1cc(-c2ccccc2O)[nH]n1 1465990738 PLLADSGZDLLEEK-UHFFFAOYSA-N 309.325 2.418 10 10 DECE COc1ccc(O)c([C@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 1536004236 WDWDIKSZKLAKLN-CYBMUJFWSA-N 308.378 2.282 10 10 DECE O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1c(F)ccc(O)c1O 1472603464 JDWCBSWLEMOHQU-RIEGTJTDSA-N 317.291 2.444 10 10 DECE Cc1ccc(O)c(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 1557552235 ACVPNUGZOVAALD-UHFFFAOYSA-N 300.314 2.468 10 10 DECE CCSc1cc(CNC(=O)Cc2ccc(O)c(O)c2)ccn1 1634738236 PYSICZVDPFGJDC-UHFFFAOYSA-N 318.398 2.464 10 10 DECE CO[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1637125968 JKRUHDVGXFTHBT-OAHLLOKOSA-N 305.305 2.241 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)c2ccco2)cc1 1567906375 JEAMXORRMGSGOS-GFCCVEGCSA-N 316.317 2.296 10 10 DECE CN1CCc2cc(NC(=O)c3cc(O)cs3)ccc2C1=O 1644630395 NMSFVHHBBQNFKS-UHFFFAOYSA-N 302.355 2.334 10 10 DECE Cc1ccc(NC(=O)c2cc(O)nc(O)c2)c(Br)n1 2125227268 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CN(Cc1c(Cl)cnn1C)c1ccc(CN)c(F)c1F 2168142096 RAXOKDPEUMDHHG-UHFFFAOYSA-N 300.740 2.447 10 10 DECE Cc1ccc(Br)c([C@H](NN)c2ccccc2O)n1 2049922373 GVNROUOTEAQASJ-GFCCVEGCSA-N 308.179 2.411 10 10 DECE CN(Cc1cnn(C)c1Br)c1ccc(CN)cc1 2053033547 YIOXWJQFCSZRBV-UHFFFAOYSA-N 309.211 2.278 10 10 DECE CC(C)(C)OC(=O)N1CCC=C[C@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 2212451570 WFHCEPANHWYMQQ-OAHLLOKOSA-N 321.381 2.463 10 10 DECE CSc1ncc(CNC(=O)[C@H](C(N)=S)C2CCC2)s1 2269282362 VWZUZEQQSIIUMH-VIFPVBQESA-N 315.489 2.184 10 10 DECE COC(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S 2297315071 YYURDKKKWRIBEH-UHFFFAOYSA-N 307.396 2.451 10 10 DECE Cc1nc(Br)c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)n1C 2315663361 OYTUHCRRCYHGPY-ZETCQYMHSA-N 313.159 2.016 10 10 DECE Cc1ccc(CN(C)[C@@H]2CNC[C@@H]2F)c(O)c1Br 2327620613 FOQQPNULVXKHGV-WDEREUQCSA-N 317.202 2.205 10 10 DECE CNCc1cc(F)c(N(CCOC)[C@H](C)COC)c(F)c1 62713477 ZXRAMTUYPPPTBO-LLVKDONJSA-N 302.365 2.172 10 10 DECE CCn1c(C)nnc1CN(C)c1cc(OC)c(OC)c(OC)c1 125735543 ACQCLYXORDZLIL-UHFFFAOYSA-N 320.393 2.269 10 10 DECE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CCOC1 380041799 SBLWUQORMMAHAX-SECBINFHSA-N 303.175 2.272 10 10 DECE CN(C)C(=O)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 192533476 VDMLTQVRQLYFMW-UHFFFAOYSA-N 302.418 2.181 10 10 DECE COCCn1ncc(Cl)c1[C@H](N)c1ccc(N(C)C)cc1 97461971 XOXFGPSTYWMYJW-CQSZACIVSA-N 308.813 2.297 10 10 DECE COc1ccc(CNC(=O)c2ccc(O)c(O)c2)cc1OC 244399708 YJOXYWCTXXABGE-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CCOc1ccc(O)c(CN[C@H]2COc3ccccc3[C@H]2O)c1 377400770 GYQZLTHDNFMGFX-MAUKXSAKSA-N 315.369 2.375 10 10 DECE CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(O)c(O)c1 382712679 HZPIGFAQMTZIGO-NEPJUHHUSA-N 308.378 2.020 10 10 DECE Cc1cc(C(=O)N2CC[C@@H](O)C2(C)C)c(C)n1-c1ccccn1 812700022 QAJWDLMMRXWJLL-OAHLLOKOSA-N 313.401 2.475 10 10 DECE CCOC(=O)c1cc(CN2CCc3cc(OC)ccc32)on1 820851873 UHGUPSDJHYBPLZ-UHFFFAOYSA-N 302.330 2.423 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)[C@H]1CCCO1 831931573 RNRCXQJNZBKAIQ-XHBSWPGZSA-N 307.390 2.350 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H](CCCC(=O)O)C(=O)O)cc1 904055435 ISVABFCIBHMQTK-MBVDDHJVSA-N 320.389 2.064 10 10 DECE CC(=O)NCc1ccc(C(=O)NCc2ccccc2O)s1 748345346 APCYAQSCSOSRFM-UHFFFAOYSA-N 304.371 2.020 10 10 DECE OCC1(CCNCc2ccc(N3CCOCC3)c(F)c2)CCC1 846101421 CIDBGOZZKRVFOK-UHFFFAOYSA-N 322.424 2.305 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@@H]1COC2(CCCC2)O1 921786607 IYNDCCVKCYUYLD-LLVKDONJSA-N 324.352 2.016 10 10 DECE C[C@H]1C[C@@H]1C(=O)NCc1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1O 923120220 OBPRQMBUBIHIFZ-NUZBWSBOSA-N 302.374 2.259 10 10 DECE CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 858186967 GPCSUGODIZJDLF-BZNIZROVSA-N 314.376 2.172 10 10 DECE COc1ccc(N2CC[C@H](Nc3cc4nnc(C)n4cn3)C2)cc1 853758245 BWWWTDZKPUYIDC-ZDUSSCGKSA-N 324.388 2.132 10 10 DECE C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852330272 CAHQXITXHDPLQN-SUMWQHHRSA-N 317.433 2.245 10 10 DECE COc1ccc(O)c([C@@H](C)NCc2noc3c2COCC3)c1 930216218 BAYQNRUYBSKXMY-SNVBAGLBSA-N 304.346 2.312 10 10 DECE 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C[C@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 1333999969 OLNXTYWWUJRWQL-HNNXBMFYSA-N 307.371 2.203 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cn(C)c(Br)n1 698366033 CGXGALFVILIGID-UHFFFAOYSA-N 324.178 2.160 10 10 DECE COc1ccc(F)cc1CNC(=O)Cc1ccc(O)c(O)c1 1467348374 IMZZVCZEEMUIIZ-UHFFFAOYSA-N 305.305 2.104 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@H]1CCCOC1 1557177417 NQIPSFKLBZYCLI-UONOGXRCSA-N 305.374 2.058 10 10 DECE CCC[C@@]1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1556849187 WLYCVKBGQIMLHI-MRXNPFEDSA-N 318.377 2.474 10 10 DECE O=C(Cn1ccc(C(F)(F)F)n1)NCc1c(O)cccc1F 1638858067 GDRLCNHVPUFSQA-UHFFFAOYSA-N 317.242 2.063 10 10 DECE CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1O 1643812545 KHOVFRFZCVJUIA-LLVKDONJSA-N 324.377 2.017 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)c1nccn2cnnc12 1650085545 GVXPSCNLQGCHGN-UHFFFAOYSA-N 308.389 2.361 10 10 DECE CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)n1cccn1 1586066723 SEUOMCIEAPXVDT-UHFFFAOYSA-N 314.349 2.211 10 10 DECE Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(N)cc2)[nH]n1 160453866 AXKZMOGQTBHOSI-UHFFFAOYSA-N 310.361 2.262 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCO[C@H]3C)c(Cl)cc21 159711183 ZQQPAXAZMLLDBM-PELMWDNLSA-N 309.797 2.166 10 10 DECE Cn1[nH]c(=NCc2cccc(F)c2O)cc1Br 1949989899 PPDJLVBYKIBHIH-UHFFFAOYSA-N 300.131 2.061 10 10 DECE COc1cccc([C@H]2[C@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952302549 KERQAQBEAHDTMD-YPMHNXCESA-N 308.378 2.410 10 10 DECE O=C(O)[C@@H]1CCN[C@@H](c2cc(Br)cc(F)c2O)C1 1952536399 HOLWNVXDNQBXRE-LHLIQPBNSA-N 318.142 2.419 10 10 DECE COc1ccc(O)c([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1 1952762416 LTISTTMQMYIDJZ-ZBEGNZNMSA-N 323.345 2.225 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NCc1cccc(O)c1O 1975308121 UEAGMWVRBHYGFD-VXGBXAGGSA-N 308.378 2.101 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985095092 YRTCSDLHIYOSEV-GRYCIOLGSA-N 321.381 2.011 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@H]1C(=O)NCCCN=[N+]=[N-] 1985103473 VYWUUZKWVGCZEA-TUAOUCFPSA-N 323.397 2.449 10 10 DECE COCCNCCC=C(C)c1nc(Br)cn1C 1997872885 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2214379280 AWRJBRPKHCNLJH-UHFFFAOYSA-N 302.180 2.100 10 10 DECE Oc1cc(Br)ccc1CN1[C@H]2CCC[C@@H]1CNC2 2219172228 JEDJKBOXOBKCTJ-BETUJISGSA-N 311.223 2.481 10 10 DECE COc1ccc(N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 2242602346 FZYITMQTLONWDY-LSDHHAIUSA-N 322.405 2.112 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCCN[C@H]2CCC3)s1 2284640985 OZKHXSLHAOJADA-FZMZJTMJSA-N 311.476 2.404 10 10 DECE C[C@H](O)c1ccc(N(C)CC2(O)CC2)cc1Br 2301882816 XECLEBMZKXCCTQ-VIFPVBQESA-N 300.196 2.464 10 10 DECE CCN1CCN(N=Nc2cc(OC)c(OC)c(OC)c2)CC1 2330246112 AHNAYGJUTDHEOX-UHFFFAOYSA-N 308.382 2.349 10 10 DECE CCCC(=O)NCC(=O)NCc1ccc(N(CC)CC)cc1 57118120 IDJLFCDLBWQKNC-UHFFFAOYSA-N 305.422 2.065 10 10 DECE CC[C@H](C)[C@@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305089172 WABHHKUCBLOVCK-FZMZJTMJSA-N 315.373 2.387 10 10 DECE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@@H](C)N1C 126794544 CTBBTONBPIDNPU-PHIMTYICSA-N 312.255 2.437 10 10 DECE CCc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)s1 49044330 KMOAVVKIKLLGCU-UHFFFAOYSA-N 312.416 2.077 10 10 DECE CNCc1ccc(N(C)C(C)(C)CO)cc1Br 234398981 AURIFGGGIQAHSW-UHFFFAOYSA-N 301.228 2.376 10 10 DECE Oc1ccc([C@@H]2NC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 380931034 GLFDWCVZDJFROQ-BJZITVGISA-N 310.397 2.490 10 10 DECE OC[C@@H](CNCc1c(O)ccc(Cl)c1F)c1cccnc1 808430126 BTAJTPNNWWIZBW-LLVKDONJSA-N 310.756 2.445 10 10 DECE Nc1ccc(CCN=c2[nH]c(Cl)nc3c2SCC3)cc1 2162358066 YIRLZOGFIBMOCC-UHFFFAOYSA-N 306.822 2.437 10 10 DECE CC[C@H]1[C@@H](CO)CCN1Cc1ccc(N2CCOCC2)cc1 824636652 SAFPPZAIGYGDDZ-AEFFLSMTSA-N 304.434 2.116 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](OC)[C@@H]1CCOC1 824240842 OMIHSYUBLOIWLR-WBVHZDCISA-N 320.433 2.153 10 10 DECE COC1([C@@H](NCc2c(O)ccc(Cl)c2F)C(=O)O)CCC1 904051519 WPXMKHZRCZGRDD-LBPRGKRZSA-N 317.744 2.297 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C2CC2)N1 846672586 INJNBYOKPSGZCY-DLBZAZTESA-N 301.434 2.208 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1F 844933424 FWFOQQXNMVLFAW-GHMZBOCLSA-N 313.323 2.298 10 10 DECE O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 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10 10 DECE Cn1ccc(C2CN(c3ccc(CN)c(Br)c3)C2)n1 1883033630 DLFNNEZAGHDUEE-UHFFFAOYSA-N 321.222 2.245 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COC[C@H]2C2CC2)cc1 1304935019 QZOULTQFSRUIRJ-QWHCGFSZSA-N 302.334 2.004 10 10 DECE COc1ccc2c(c1)NC1(CCNCC1)CN2CCC(C)=O 76934520 LRRAUIWGSCQACR-UHFFFAOYSA-N 303.406 2.028 10 10 DECE C[C@@H](Oc1ccccc1F)C(=O)NCc1cc(O)ccc1O 1176748301 NVQWDFOIHCZBEY-SNVBAGLBSA-N 305.305 2.321 10 10 DECE COc1ccc(Br)c(CNC2(CO)CCC2)c1O 1964051298 XYLYPTAIGMNLGX-UHFFFAOYSA-N 316.195 2.168 10 10 DECE CN1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2C1 181980826 NERPXULXAICWRG-VOTSOKGWSA-N 309.369 2.279 10 10 DECE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccnn2C1 1455188053 KEGCUDXWFCJBAZ-SNVBAGLBSA-N 312.333 2.342 10 10 DECE CO[C@H]1COC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1616092325 OKHRZEUFCZRFTK-MOPGFXCFSA-N 316.445 2.148 10 10 DECE COc1ccc(F)cc1CC(=O)NCc1cccc(O)c1O 1471642092 JYUSPQOGQVZNFL-UHFFFAOYSA-N 305.305 2.104 10 10 DECE CN(C)c1ccc(/C=C/C=C2/N=c3ccccc3=C2CO)cc1 3646104 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10 10 DECE N[C@@H]1CCCC12CN(Cc1cc(Br)ccc1O)C2 2036978796 FNEGFTGEPGFHGL-CYBMUJFWSA-N 311.223 2.468 10 10 DECE NCc1ccc(N2CC[C@@H]3COC[C@@H]3C2)cc1Br 690284185 WLYVJABOEJOSIN-NEPJUHHUSA-N 311.223 2.381 10 10 DECE COC(=O)c1cc(C2CC2)nn1Cc1cc(OC)ccc1O 2069965003 LTLWNQMGGCBTIQ-UHFFFAOYSA-N 302.330 2.310 10 10 DECE CN(CCS(=O)(=O)C(C)(C)C)Cc1cccc(F)c1O 2170555078 XUJLXJYHBFKHER-UHFFFAOYSA-N 303.399 2.176 10 10 DECE CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Cl 2179919965 MUHJTFKIUSJDJJ-NSHDSACASA-N 316.854 2.201 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCC(=CBr)C3)ccc21 2052272972 ONXJTSIZSYKPDW-LBPRGKRZSA-N 308.179 2.127 10 10 DECE Nc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)ccc1F 2191764006 PGMZUJIPVWZRFA-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CN1CCc2cc([C@H](O)c3n[nH]cc3Br)ccc21 2070693948 VYRWRSCSNNKRRE-ZDUSSCGKSA-N 308.179 2.246 10 10 DECE COc1ccc(N(C)[C@H]2C[C@@H](O)C2)c(OC)c1Br 2219377050 SJPPJEJTZYRTNZ-DTORHVGOSA-N 316.195 2.426 10 10 DECE CNCc1ccc(N2CC(CCCO)C2)c(Br)c1 2222862549 VPGDLUFLKPQTNU-UHFFFAOYSA-N 313.239 2.377 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2244379649 WESHJUQTHFMFKM-TUAOUCFPSA-N 323.397 2.401 10 10 DECE COc1ncc(Cl)c(=NCc2cnc(SC)s2)[nH]1 2256943431 RSMYAQQWMLVIPE-UHFFFAOYSA-N 302.812 2.351 10 10 DECE CSc1ncc(CN=c2ccc(C(N)=S)c(C)[nH]2)s1 2269242088 MYBPJFUCJCJIRH-UHFFFAOYSA-N 310.473 2.237 10 10 DECE CN1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2C1 492441470 NERPXULXAICWRG-SREVYHEPSA-N 309.369 2.279 10 10 DECE Cc1c(C=CC(=O)N2CCN(C)c3cc(F)ccc32)cnn1C 2304178080 CJLFLDSPQXAZPT-UHFFFAOYSA-N 314.364 2.364 10 10 DECE Cn1cnc(Br)c1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2315664140 YOGKZPLTSGYKIY-NKWVEPMBSA-N 313.159 2.144 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@@H](c3cnn(C)c3)C2)c1O 175680719 UMLSJSAFMPHQID-GFCCVEGCSA-N 317.364 2.457 10 10 DECE CN(Cc1ccccc1O)C(=O)NCC(=O)Nc1ccccc1 123638361 KKKDBXBJWYNHEE-UHFFFAOYSA-N 313.357 2.172 10 10 DECE CCO[C@@H]1C[C@@H](NCc2cc(OC)ccc2O)C12CCOCC2 186407080 KHCKQLVVSQGJDE-IAGOWNOFSA-N 321.417 2.465 10 10 DECE COC(C)(C)[C@@](CSc1nccs1)(NC(C)C)C(=O)O 2366314238 QGJXKDWEJRBQKT-ZDUSSCGKSA-N 318.464 2.482 10 10 DECE Cc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccccc1O 40335360 JJFKFSQMOFYJDC-UHFFFAOYSA-N 306.387 2.104 10 10 DECE COc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(O)c1 93012282 PPKAGHHHRJIUHI-INIZCTEOSA-N 320.433 2.088 10 10 DECE Cc1cccc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1O 245854404 NDEAECYYMBDQFX-LSDHHAIUSA-N 311.447 2.488 10 10 DECE CCNC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(F)cc2O)C1 286302761 XDDPMWSLRWDDGV-JSGCOSHPSA-N 309.385 2.376 10 10 DECE C[C@H](CO[C@@H]1CCOC1)NCc1cc(Cl)c(F)cc1O 293618623 MHRFAPJHFQEFGF-MWLCHTKSSA-N 303.761 2.468 10 10 DECE CN(CC1(F)CCCC1)S(=O)(=O)Cc1ccc(N)cc1 2165894312 PNEMOMMJKOFCDK-UHFFFAOYSA-N 300.399 2.313 10 10 DECE CC[C@@H](C)[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1 575289444 XNUKFONEGUEFJO-ABAIWWIYSA-N 323.393 2.301 10 10 DECE Oc1cccc2c1[C@H](NC1CCC(N3CCNCC3)CC1)CC2 817983987 TVSAHCQQBHPGCG-OFLPRAFFSA-N 315.461 2.186 10 10 DECE COC(=O)N(C)CCN(C)C/C=C/c1ccc(N(C)C)cc1 827346793 LNVCGVKDFHQNTF-VOTSOKGWSA-N 305.422 2.396 10 10 DECE CC(C)(C)SCC(=O)N(CC(=O)O)Cc1ccccc1O 911483756 DBEYXTJJQDBHLI-UHFFFAOYSA-N 311.403 2.337 10 10 DECE COCc1nc(CN2CCCc3cc(OC)cc(OC)c32)no1 839657029 YNOYRCCMJXFDRT-UHFFFAOYSA-N 319.361 2.186 10 10 DECE C[C@@H](NC(=O)c1nnn(C)c1C(F)(F)F)c1ccccc1O 913763658 NCDKEMNQBJWVJP-SSDOTTSWSA-N 314.267 2.031 10 10 DECE CO[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CCSC1 911261153 AWNXQGNJMGJUNK-INIZCTEOSA-N 318.398 2.079 10 10 DECE COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 844352853 AIAUPAJFJVQIJF-IAGOWNOFSA-N 318.417 2.301 10 10 DECE Cc1cc(C)c(O)c(CN2CC[C@@H](CN3CCOC3=O)C2)c1 840096009 PYXKZUUGDTZOFJ-CQSZACIVSA-N 304.390 2.283 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1895876440 VEWJJQGFEZXOHD-WHOHXGKFSA-N 321.381 2.153 10 10 DECE Cc1cc(CC(=O)O[C@@H]2CCOC2=O)c(C)n1-c1ccccc1 853933685 HVVJBOVZVUUNTM-MRXNPFEDSA-N 313.353 2.495 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(NC)n1 935944835 AEACZNZMASPRTA-UHFFFAOYSA-N 312.391 2.306 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2cncn2C1 862026751 ZEHYTXZGZHPTJB-CQSZACIVSA-N 322.368 2.016 10 10 DECE C/C=C\C[C@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 761361556 NIRFFOXIPJLJDQ-RXYHWBRQSA-N 311.385 2.449 10 10 DECE N=C(NCc1cc(Br)ccc1O)NCC(F)F 887359311 OGHRNBKGKUDMEQ-UHFFFAOYSA-N 308.126 2.034 10 10 DECE CC1(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)OCCO1 1876137168 NQNZRWWKBWNRDG-UHFFFAOYSA-N 305.378 2.276 10 10 DECE COc1ccc(O)c(CNC(=O)CC[C@@H]2CCCCN2C)c1 788300251 WVNAVPSNDBMKRR-AWEZNQCLSA-N 306.406 2.282 10 10 DECE COc1ccc(CC(=O)NCc2c(O)cccc2F)cc1O 1156171366 ZXWBKVAZWKLBIB-UHFFFAOYSA-N 305.305 2.104 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1F 1328022609 BPJZWCPPYZMTEL-DYVFJYSZSA-N 321.396 2.070 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ncc(Br)s1 714033488 PGSIZRASNZKUNR-ZCFIWIBFSA-N 320.172 2.321 10 10 DECE COC[C@H](CCNCc1cc(Cl)cc(OC)c1O)OC 694372640 HZYNTBJWHNQMBF-LBPRGKRZSA-N 303.786 2.195 10 10 DECE O=C(C(=O)N1CCC[C@H]1C1CCC1)N1Cc2cccc(O)c2C1 1332003153 LRKPVWUOVBUVBF-HNNXBMFYSA-N 314.385 2.026 10 10 DECE CO[C@H]1C[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1331675539 HZQZLJLNIUJJAR-IYBDPMFKSA-N 321.440 2.092 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1CN1CCCCC1 1292715497 OAFWGDKLIZXLOI-HNNXBMFYSA-N 318.417 2.117 10 10 DECE O=C(C[C@@H]1C(=O)Nc2c(F)cccc21)NCc1ccccc1O 1545681804 DKINOPLKEPLITJ-LBPRGKRZSA-N 314.316 2.274 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1625072200 PXHKHWVKYAUULH-JTQLQIEISA-N 316.313 2.426 10 10 DECE Cn1cc(C(F)F)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1635906065 WCIQYZLDWKBWOL-HWKANZROSA-N 323.299 2.099 10 10 DECE COC(=O)c1sccc1C(=O)NCc1cccc(OC)c1O 1566374829 VMKILNQFJSVNOB-UHFFFAOYSA-N 321.354 2.179 10 10 DECE CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc(O)cc1O 1643101107 VWWMUBMRRWCKQW-UHFFFAOYSA-N 324.377 2.019 10 10 DECE COC(=O)c1cccc2c1CCN2C(=O)/C=C\c1cncc(O)c1 1597669434 ITYLKBPMEZEQTG-WAYWQWQTSA-N 324.336 2.176 10 10 DECE COc1cc(C)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1O 163943679 UOBSGGHFZFWZBQ-UHFFFAOYSA-N 320.433 2.400 10 10 DECE CCOC(=O)C1CCN(/N=N/c2ccc(C(N)=O)cc2)CC1 1860480630 BBHOJTSSKGMAEV-ISLYRVAYSA-N 304.350 2.059 10 10 DECE C[C@@H]1C[C@](O)([C@@H](N)c2ccccc2O)CN1Cc1ccccc1 1920449311 BGPZQLXEHFKJFS-MDASCCDHSA-N 312.413 2.418 10 10 DECE Cc1ccnc([C@@H](NN)c2ccccc2O)c1Br 1926821903 PAKBUFFLDUWHCB-LBPRGKRZSA-N 308.179 2.411 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1c(N)cccc1O 1953047794 TZMDPYUGFBLLHK-LBPRGKRZSA-N 307.394 2.198 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 1985101842 YNBWQCGLLQTYLQ-IJLUTSLNSA-N 321.381 2.367 10 10 DECE Cc1nc[nH]c(=NCCc2ccc(N)cc2)c1Br 2029652623 SMADGDNMQLONMS-UHFFFAOYSA-N 307.195 2.206 10 10 DECE Oc1ccc(Br)cc1CN1CC[C@@H](C2CNC2)C1 2032553397 XLEQWUPPFAVCDH-SNVBAGLBSA-N 311.223 2.196 10 10 DECE Cc1cc(S(=O)(=O)NCCc2ccc(N)cc2)c(C)s1 63129905 ORPJMMLBZCIEMC-UHFFFAOYSA-N 310.444 2.468 10 10 DECE C[C@@H](CNCc1cccc(O)c1O)N(C)C(=O)OC(C)(C)C 309971663 JWSKTGFQCZUWMT-NSHDSACASA-N 310.394 2.443 10 10 DECE C[C@@H]1[C@H](N(C)C)CCN1c1ccc(CN)cc1Br 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CN(C)c1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 846046458 IKYCZEAZUXOVOR-PHIMTYICSA-N 315.339 2.125 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 840951645 DEYHTXJTTHTRAL-DLBZAZTESA-N 322.474 2.213 10 10 DECE CN1C[C@@H](CCNC/C=C\c2ccc(N(C)C)cc2)CC1=O 922486232 HHGYGNUUTKEFFX-AWFCHZOYSA-N 301.434 2.224 10 10 DECE COc1cc(CN2CCO[C@]3(CCSC3)C2)c(O)cc1C 842620305 NFFXBMJNRJTFCS-MRXNPFEDSA-N 309.431 2.417 10 10 DECE COC[C@@H](CCNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC 850345019 GENCWJTUYDOZPO-LLVKDONJSA-N 318.757 2.095 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2CNCC[C@@H]21 923413891 JLGJSZPFXSXZJV-MJGOQNOKSA-N 315.461 2.097 10 10 DECE COC[C@@]1(C)CN(Cc2c(O)ccc3ccncc23)CCO1 863343146 RDZHRBLNRHUGRO-QGZVFWFLSA-N 302.374 2.178 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN[C@H]2C)cc1F 861574029 PADSHRUHYZQWMD-SWLSCSKDSA-N 322.428 2.222 10 10 DECE Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)c(O)c1O 862425185 OVNXOSYZLZCUSE-AWEZNQCLSA-N 313.353 2.278 10 10 DECE C[C@@H](NCc1nc(C2CCOCC2)n[nH]1)c1ccccc1O 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CCn1nc(Br)c(CN(C)Cc2ccc(N)cc2)n1 2111459622 QDVBXNPDAWMURO-UHFFFAOYSA-N 324.226 2.275 10 10 DECE CCNCc1ccc(N2CCN(C)[C@H]3C[C@H]32)cc1Br 2112067078 SDXGLSJUPNYMQR-LSDHHAIUSA-N 324.266 2.451 10 10 DECE CNC(=O)COC(=O)C=Cc1cc(C)n(-c2ccccc2)c1C 2295028358 LCHWSKANGMBBDD-UHFFFAOYSA-N 312.369 2.397 10 10 DECE Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)c(O)c1O 177676621 VBSPCCDFAGEDTR-UHFFFAOYSA-N 319.361 2.275 10 10 DECE CCOc1ccc(O)c(CN2CCN(c3cc(C)[nH]n3)CC2)c1 189015721 UHMWYTBEFYOQRL-UHFFFAOYSA-N 316.405 2.145 10 10 DECE COc1cc(Cl)cc(CN2C[C@H]3CNC[C@@H]3C2(C)C)c1O 229104331 RJKAJXANKUQFMP-YPMHNXCESA-N 310.825 2.484 10 10 DECE O=S1(=O)CC[C@H](NCc2ccccc2O)c2ccccc21 228407267 DKQXDIFWBAUJGH-AWEZNQCLSA-N 303.383 2.401 10 10 DECE CCOC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 93838938 CHPTZLWTJSKXCA-QGZVFWFLSA-N 304.434 2.382 10 10 DECE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1cccc(Br)c1 90257735 NPIXZSTWKMGMGB-NSHDSACASA-N 312.171 2.050 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCO[C@H](C3CC3)C2)cc1F 369962906 ATZBBIZBSDYDNW-INIZCTEOSA-N 321.396 2.212 10 10 DECE O=C1CN(Cc2cccc(Cl)c2O)CCN1CC(F)(F)F 289234855 DIKIIBSVYLDVNX-UHFFFAOYSA-N 322.714 2.252 10 10 DECE CC(C)N(Cc1ccc(N(C)C)c(F)c1)C[C@@H]1CCC(=O)N1 840974963 AOYBZCWFPOCLIR-AWEZNQCLSA-N 307.413 2.381 10 10 DECE C[C@H](NC(=O)N1CCC(=O)[C@H](C)C1)c1ccc(N(C)C)cc1 922053001 ZTSODOHFAABRKY-OLZOCXBDSA-N 303.406 2.434 10 10 DECE Cc1cc(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c(Cl)c1 840942080 RNYITEQAULUOMW-NSHDSACASA-N 317.838 2.221 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]3C3CC3)C2)cc1 854298041 UXWFVBBYAMCHEF-YOEHRIQHSA-N 315.417 2.468 10 10 DECE NC1(C(=O)NCCCSc2nccs2)CC2(CCC2)C1 852840588 QOHOXRDHKCJREB-UHFFFAOYSA-N 311.476 2.403 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC2(CCC2)O1 922224062 XWVRCDSGVMCKAL-MASHWEEQSA-N 303.358 2.329 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1CCC2(CCC2)O1 924022384 OEGRWZWDCMTKRM-LLVKDONJSA-N 308.353 2.432 10 10 DECE C[C@H]1CC[C@@H](NCc2c(O)ccc(Cl)c2F)CS1(=O)=O 850371368 WYOWKQGKRDGANV-DTWKUNHWSA-N 321.801 2.240 10 10 DECE C[C@@H]1C[C@]1(C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C 866756616 YIPOPEYDVUUEMU-DIFFPNOSSA-N 305.374 2.376 10 10 DECE CCOC(=O)N1CCC(N[C@H](C)Cc2ccc(N)cc2)CC1 71428803 SNXJZRKWTCUKGJ-CYBMUJFWSA-N 305.422 2.410 10 10 DECE CCCN(CCC)c1ccc(CNC[C@@H]2COCCN2)cc1 863482972 JNIPDCLMYMTQCM-QGZVFWFLSA-N 305.466 2.391 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)cc1 1119756310 ISICYVGURIBCMW-IXDOHACOSA-N 300.402 2.493 10 10 DECE CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](CN=[N+]=[N-])O2 958692402 ZQSZABQUCNCFGH-LLVKDONJSA-N 312.370 2.482 10 10 DECE CCOC(=O)[C@H](C)C1CN(Cc2cc(C)cc(OC)c2O)C1 895476990 OPKPGRKCVHLNKR-GFCCVEGCSA-N 307.390 2.340 10 10 DECE COc1cc(CN2CCO[C@@]3(CCCOC3)C2)c(O)cc1C 795638925 PTVMYMAVSBRMNR-KRWDZBQOSA-N 307.390 2.091 10 10 DECE COc1ccc(O)c([C@@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)c1 797072725 ZFWIODDDJVZXAJ-GHMZBOCLSA-N 313.419 2.017 10 10 DECE COc1cccc(CNCC2CN(C(=O)OC(C)(C)C)C2)c1O 397871166 ITNDLMPKYQDUII-UHFFFAOYSA-N 322.405 2.357 10 10 DECE 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842625829 SSGLTZRMXTVIIM-MRXNPFEDSA-N 309.431 2.417 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CC[C@H](C(F)(F)F)O2)c1 922459436 DNSXRTQVADKRIJ-ZYHUDNBSSA-N 320.267 2.500 10 10 DECE Cc1cc(CC(=O)N2CC=C[C@@H]2CO)c(C)n1-c1ccccc1 922287719 IEESOQOJWLTXKA-GOSISDBHSA-N 310.397 2.396 10 10 DECE CC1(C)CO[C@@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 924181180 FYKIAZWJNRSOPQ-AGLBCWCQSA-N 305.374 2.432 10 10 DECE CSCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920880300 CGPYITYIHNNYMN-ZDUSSCGKSA-N 308.447 2.454 10 10 DECE C[C@H]1CCn2cc(C(=O)NCc3c(O)cccc3F)nc2C1 928710153 OXKSOLNKIMZKDR-JTQLQIEISA-N 303.337 2.240 10 10 DECE COCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 855224264 JLQYWLNYGKELKD-CQSZACIVSA-N 318.417 2.207 10 10 DECE O=C(NCc1cc(Br)ccc1O)C1CSC1 868306894 GOIFBWCRNFZWFH-UHFFFAOYSA-N 302.193 2.134 10 10 DECE Cc1cnc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)c1 778622643 PYYAKYUHDAQXHK-UHFFFAOYSA-N 303.337 2.231 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCCn3nncc3C2)c1O 886457607 HKQXJNGVBMDACE-UHFFFAOYSA-N 320.780 2.246 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]12COC[C@@H]1C2 889248773 CZUACJRFTRCKMP-YEWWUXTCSA-N 317.433 2.080 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[C@@H]2CCCO[C@@H]21 780588265 GCYFZOAZFUTQTM-XKQJLSEDSA-N 301.386 2.312 10 10 DECE COC(=O)c1c(CN[C@H](C)C[C@@H](C)O)c2cc(F)ccc2n1C 894437132 NIEKAGBNDULJLL-GHMZBOCLSA-N 322.380 2.353 10 10 DECE CS(=O)(=O)[C@H]1C[C@H](NCc2ccc3ccccc3c2O)C1 895689544 YJCRRACLOWDZAT-HDJSIYSDSA-N 305.399 2.211 10 10 DECE CC(C)(C)[C@@]1(C)NC(=O)N(CCOc2ccc(N)cc2)C1=O 57849809 PKJGQFVICSMTOP-INIZCTEOSA-N 305.378 2.004 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)[C@H]2CCCO2)cc1C 1320342862 JUZGZHLEMSITPW-WMLDXEAASA-N 320.433 2.167 10 10 DECE COc1cccc(CNC(=O)NC2C[C@H]3[C@H](C2)C3(F)F)c1O 1350535012 IHOYSZMLOUBIMK-QWRGUYRKSA-N 312.316 2.244 10 10 DECE Cc1ccc(C(=O)N(C)[C@H](CO)c2ccccc2)c(O)c1O 1468342257 KWEGFWHQOXNANB-CQSZACIVSA-N 301.342 2.212 10 10 DECE C[C@](NC(=O)c1cc(O)cs1)(C(N)=O)c1cccc(Cl)c1 1544940536 OKTICYIBQLWUFD-CQSZACIVSA-N 324.789 2.238 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccsn1 1618592863 BFMBKQYZEGVBDW-UHFFFAOYSA-N 319.386 2.014 10 10 DECE CCCCn1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1 1471661608 VFMUHQFLQJKDIJ-UHFFFAOYSA-N 303.362 2.333 10 10 DECE NC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 1628666391 CDBMKEDJZIJPKE-UHFFFAOYSA-N 310.762 2.136 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(Br)c[nH]1 1630301454 AVXWFUNJSPREQD-UHFFFAOYSA-N 311.135 2.118 10 10 DECE Cc1cn2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2n1 1638268254 WNDIWOKEVYKGPE-UHFFFAOYSA-N 301.277 2.445 10 10 DECE Cc1cnn(C)c1C(=O)NCc1cccc(Br)c1O 1635840759 WGRZGKGRHKNCNS-UHFFFAOYSA-N 324.178 2.127 10 10 DECE O=C(c1cccc(O)c1O)N1CC(c2cnc3ccccc3n2)C1 1637134008 TWYMXCVBPFRZNC-UHFFFAOYSA-N 321.336 2.281 10 10 DECE COCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H]1C 1725559937 NYIBARNOEPDRDX-ZBFHGGJFSA-N 320.433 2.119 10 10 DECE CN(CCC(=O)NCc1c(O)cccc1O)C1CCCCC1 1639292731 OEBTWOSEZGAUBT-UHFFFAOYSA-N 306.406 2.369 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc(F)cc2nccnc12 1644752726 RKTUBXIJBZPUOI-UHFFFAOYSA-N 313.288 2.110 10 10 DECE CC(C)N(C)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1583259559 WYHWZROMIPIPDE-UHFFFAOYSA-N 320.433 2.219 10 10 DECE Cn1cc(-c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)cn1 1595595355 BZHLECDPNDTPTJ-UHFFFAOYSA-N 323.352 2.428 10 10 DECE O=C(Nc1c(Cl)cccc1C(=O)O)c1cc(O)c(O)c(O)c1 1865876292 BGFKYECBENZMGE-UHFFFAOYSA-N 323.688 2.407 10 10 DECE COc1ccc(CN[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1984414094 CPKBGNSCXKHXEQ-TZMCWYRMSA-N 322.405 2.404 10 10 DECE C[C@H](O)[C@@H]1CCCN1c1ccc(CO)cc1Br 2018122498 XSMCOUPWYCOXKV-CABZTGNLSA-N 300.196 2.291 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(Br)c1 2029636701 WNOXKDUJFCJHFN-NURSFMCSSA-N 312.207 2.321 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1F 2170553317 DNUXHPPHDXWQKV-GHMZBOCLSA-N 303.399 2.138 10 10 DECE CCNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 706911194 HBKJMBRYYYCPRG-LLVKDONJSA-N 316.854 2.073 10 10 DECE COC(CN(C)c1cc(Br)c(CN)cc1F)OC 714632538 ONNRLFIMSDKJIC-UHFFFAOYSA-N 321.190 2.102 10 10 DECE COc1ccc(O)c([C@H](C)n2nc(C)cc2C(=O)NC2CC2)c1 2070084611 XKDKAIFJIMAEHI-NSHDSACASA-N 315.373 2.407 10 10 DECE NCc1ccc(N2CCc3nnccc3C2)c(Br)c1 2104957360 YWYWXOYMBKINAN-UHFFFAOYSA-N 319.206 2.261 10 10 DECE CC[C@@H]1CN(c2ccc(CO)cc2Br)C[C@@H]1CO 2084893645 MUZNGRIKXMGCGW-VXGBXAGGSA-N 314.223 2.396 10 10 DECE Nc1ccc(OCCCN2CCCC[C@@H]2C2OCCO2)cc1 2089566644 BBBZRWLVAVWGLY-MRXNPFEDSA-N 306.406 2.265 10 10 DECE C[C@@H]1C[C@H](NCc2ccc(Cl)cc2O)CCS1(=O)=O 2090123588 DRQXNCQZJWDETQ-BXKDBHETSA-N 303.811 2.101 10 10 DECE CN(CCCCN=[N+]=[N-])C[C@@]12CCC[C@@H]1CS(=O)(=O)C2 2201903525 HYFSDZKEYVJBOU-CHWSQXEVSA-N 300.428 2.224 10 10 DECE CSc1ncc(CNCc2c(CO)cnc(C)c2O)s1 2208483686 STSWZGJLVRRISL-UHFFFAOYSA-N 311.432 2.056 10 10 DECE CC(C)(C)OC(=O)N[C@]12CO[C@]([C@@H](N)c3ccccc3O)(C1)C2 2243103985 JLUQSTSQWPGEEI-JQFCIGGWSA-N 320.389 2.218 10 10 DECE CN=c1cc([N+](=O)[O-])cc(NCc2cnc(SC)s2)[nH]1 2284730068 QWLLECAPHRPLSG-UHFFFAOYSA-N 311.392 2.244 10 10 DECE CSc1ncc(CNC(=O)[C@H]2C[C@H]3CNC[C@H](C3)C2)s1 2286603898 VKQJXZXPIHLHSV-JGPRNRPPSA-N 311.476 2.117 10 10 DECE CP(C)(=O)[C@H]1CN(c2c(F)cc(CO)cc2F)CCO1 2289322861 HZBKWEAEWCWYDD-LBPRGKRZSA-N 305.261 2.243 10 10 DECE COc1ccccc1C=C1C(=O)NC(=O)N(C2CCCC2)C1=O 2297707537 SWTPRIPVXZPABC-UHFFFAOYSA-N 314.341 2.100 10 10 DECE Cc1ncc(C=CC(=O)N2CC(=O)N(C)c3ccccc32)s1 2297780808 YEGAPOXKDLVUAQ-UHFFFAOYSA-N 313.382 2.474 10 10 DECE COc1cccc(C=C2SC(=S)N(CCN(C)C)C2=O)c1 2323839194 RPUFUEXFENLCIP-UHFFFAOYSA-N 322.455 2.458 10 10 DECE Cc1ccc(CNC[C@H]2C[C@@H]2CO)c(O)c1Br 2307568390 CWKQFHZUQKULKT-GHMZBOCLSA-N 300.196 2.181 10 10 DECE Cc1ccc(CN(C)C(=O)[C@@H](C)CO)c(O)c1Br 2327606473 MWTQSPGQOWHGKV-VIFPVBQESA-N 316.195 2.050 10 10 DECE O=C1NC(=S)S[C@H]1CNc1ccc(Br)cc1 3161479 FFMDQFQJKURLPH-QMMMGPOBSA-N 317.233 2.378 10 10 DECE O=C1NC(=S)S[C@@H]1CNc1ccc(Br)cc1 3161480 FFMDQFQJKURLPH-MRVPVSSYSA-N 317.233 2.378 10 10 DECE CCCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 50582631 WGHKDWYJKZXMNZ-MRXNPFEDSA-N 310.463 2.118 10 10 DECE O=C(CCSCc1ccccn1)NCc1cccc(O)c1O 1350300295 PRMBSJWFQFCUMV-UHFFFAOYSA-N 318.398 2.433 10 10 DECE CCN1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 181151898 TTWHVQRKTFVAES-RCQQVGEISA-N 304.390 2.054 10 10 DECE C[C@@H](c1cnn(C)c1)N(C)C(=O)NCc1ccc(N(C)C)cc1 181432694 CFJIRVQELYTXJE-ZDUSSCGKSA-N 315.421 2.389 10 10 DECE CN(C)Cc1c(C(N)=O)c2cc(O)c(-c3cccnc3)cc2n1C 75567744 GIGJXMPAGHUKRF-UHFFFAOYSA-N 324.384 2.106 10 10 DECE C[C@H](NCC[S@](C)=O)c1ccc(Br)cc1O 134921846 FWPPJYGJLPPILO-ZKANADHPSA-N 306.225 2.184 10 10 DECE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(Br)o1 228800130 ZXEHPGGTPMGPOC-SNVBAGLBSA-N 317.143 2.330 10 10 DECE CN(C)CCCN(C)c1ccc(CN)c(Br)c1F 231840058 NSHKCXZZPPFQKK-UHFFFAOYSA-N 318.234 2.435 10 10 DECE C[C@@H]1CCN(c2ccc(CN)c(Br)c2F)[C@@H]1CO 231840903 OSEAQHLYZVPLAH-LDYMZIIASA-N 317.202 2.254 10 10 DECE NC(=S)NCCC(=O)N(c1ccccc1)c1ccc(N)cc1 242773256 DTEBQSADZQBAFV-UHFFFAOYSA-N 314.414 2.157 10 10 DECE CN(CC(F)F)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255057127 UPYVSPCNEOSJLQ-DAXSKMNVSA-N 310.344 2.260 10 10 DECE Cc1cc(Cl)cc([C@H](C)NCCC2CS(=O)(=O)C2)c1O 808716355 VWCJKVDBHWAYRW-JTQLQIEISA-N 317.838 2.439 10 10 DECE CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)OC 821190918 IDFQMNFCYFAFBK-LLVKDONJSA-N 315.391 2.499 10 10 DECE O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CSC1 919909812 ZVKIALXADONCNC-UHFFFAOYSA-N 303.431 2.225 10 10 DECE CCCCCc1cc(C(=O)NCc2ccc(O)cc2O)n[nH]1 910943285 MEUAPSKAOKPGIT-UHFFFAOYSA-N 303.362 2.484 10 10 DECE CN(C)c1ccc(CN2CCNC[C@H]2c2cccnc2)cc1F 843116884 ORQZVGCMBHIQEW-SFHVURJKSA-N 314.408 2.433 10 10 DECE COc1ccc(N2CCC(N[C@H]3CN4CCC[C@H]3C4)CC2)cc1 924907731 RGHXUUFSDHNTQE-KXBFYZLASA-N 315.461 2.348 10 10 DECE CN(C)[C@H]1CCc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 857930138 FLKLAMGVZUHKBR-YRYLYKBFSA-N 324.428 2.343 10 10 DECE C[C@H]1CN(Cc2c(O)cccc2Br)CC[C@H]1O 862332183 GFIXLNKXONCKIR-JOYOIKCWSA-N 300.196 2.357 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2nc([C@H]3C[C@@H]3C)no2)c1 865928306 WUOAKXYCCJARLH-QXEWZRGKSA-N 317.345 2.398 10 10 DECE CN(Cc1ccoc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761884303 RFHMRZGLJRJGCY-UHFFFAOYSA-N 303.274 2.155 10 10 DECE CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1O 897248522 ZPTOUFUTIBVOQA-PRHODGIISA-N 307.371 2.155 10 10 DECE COc1ccc(O)c(CNC[C@H](O)C(F)(F)C(F)(F)F)c1 895676492 AYXUCAVIQCMGFZ-JTQLQIEISA-N 315.238 2.049 10 10 DECE CCN1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 895819464 JUGRTZPSAQKVME-JTQLQIEISA-N 320.414 2.384 10 10 DECE CN(C)c1cc(F)c(CN2CCNC(=O)CC23CCC3)cc1F 895926705 CDNLNLHKOMZXGO-UHFFFAOYSA-N 323.387 2.275 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3ccc(N)cc3)CO[C@H]2C1 1895651893 FGJAHASOBSYCFI-ZNMIVQPWSA-N 319.405 2.315 10 10 DECE CO[C@H]1CCCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 799352232 PLVREWXKFBNXRK-OALUTQOASA-N 317.477 2.486 10 10 DECE Cc1ccc(O)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1138152868 ROHPFWSNEQFOGN-LLVKDONJSA-N 301.342 2.473 10 10 DECE CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1noc(C)n1 1149211315 MVWSOYTZJCFIRQ-JPVGGKMYSA-N 303.318 2.070 10 10 DECE C[C@H](CNC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C 1959381993 DJZIZOLUKZAPPA-SNVBAGLBSA-N 308.382 2.304 10 10 DECE CN1Cc2ccccc2[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 1152053211 OWEWNFPEYRRBTE-GQSKFBFOSA-N 324.380 2.414 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1cc2ncccn2n1 1159041249 GAFGFDLFXDRPJL-UHFFFAOYSA-N 302.721 2.018 10 10 DECE COCCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 213410860 SICDJXMHAUVORO-UHFFFAOYSA-N 314.190 2.477 10 10 DECE Nc1ccc(CN(C2CC2)S(=O)(=O)c2ccns2)cc1 717722494 KCJUTGBECGLMAO-UHFFFAOYSA-N 309.416 2.079 10 10 DECE CCOC(=O)[C@@H]1C[C@H]1CN1CCOc2cc(N(C)C)ccc21 1459873461 BQPMVOPTGWTQJJ-GXTWGEPZSA-N 304.390 2.151 10 10 DECE C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)c1ccccc1O 1454816028 IQBPPHJJGRRIMU-QWHCGFSZSA-N 312.369 2.388 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1cnn2ncccc12 1531533213 GKZGUBJEHJNEIZ-UHFFFAOYSA-N 314.692 2.171 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2ccc[nH]2)cc1C 1716386516 DWQBKFIJTLXWKI-CYBMUJFWSA-N 301.390 2.240 10 10 DECE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c2cnn(C)c2n1 1632250598 XQXMYKKVSSTOCG-NSHDSACASA-N 310.357 2.473 10 10 DECE Cn1nc(-c2ccccc2)cc1C(=O)NCc1cc(O)ccc1O 1644754013 NUFRKMNHUYLFLQ-UHFFFAOYSA-N 323.352 2.428 10 10 DECE CCN1CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1587551857 GNVKKZQUOUURCS-KRWDZBQOSA-N 301.434 2.339 10 10 DECE C[C@@H](Cn1cnnc1)NCc1cc(Cl)cc(Cl)c1O 2130143527 JFPMMTXLRVVXEU-QMMMGPOBSA-N 301.177 2.469 10 10 DECE CN(c1ccc(CO)c(Br)c1)C1(CO)CCC1 1914972451 NJLQYCXVBZWSQJ-UHFFFAOYSA-N 300.196 2.293 10 10 DECE CN(Cc1ccccc1)C1CN(C(=O)Cc2ccc(N)cc2)C1 1914230397 SYAKUISGCNNCPP-UHFFFAOYSA-N 309.413 2.154 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC4(CSC4)C3)c(Cl)cc21 2146379443 PQBHZMLJNBQHEW-GFCCVEGCSA-N 309.822 2.106 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CO[C@@H](COc2ccc(N)cc2)C1 1952910522 NERQLHXJJZUCAH-GXTWGEPZSA-N 308.378 2.330 10 10 DECE COc1ccc(N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(N)c1 1977931915 QTGOBVAAGADRMW-APPDUMDISA-N 319.405 2.381 10 10 DECE CC1(C)CCN(c2c(F)cc(CN)cc2F)CC[S@@]1=O 321680112 RMWMZRZXSAJDFV-FQEVSTJZSA-N 302.390 2.161 10 10 DECE Cc1cc(C(=O)NC2CC2)n(Cc2cc(Cl)ccc2O)n1 2070086366 BTLQOQTWSCVIIK-UHFFFAOYSA-N 305.765 2.491 10 10 DECE C[C@@H](O)c1ccc(N2CCN(C)[C@@H]3C[C@@H]32)cc1Br 2049410316 ZBVSTXJNMPFPPA-FZQKWOKYSA-N 311.223 2.395 10 10 DECE C[C@@H](N)c1ccc(N2CC(n3ccnn3)C2)c(Br)c1 2113832297 NFKJZBVONJYYPG-SECBINFHSA-N 322.210 2.122 10 10 DECE CN(C)[C@@H]1CN(c2ccc(CN)cc2Br)CC12CC2 2227997840 XCNACLHQUCBRNK-CQSZACIVSA-N 324.266 2.438 10 10 DECE COCc1nc(Cl)cc(=NCc2cnc(SC)s2)[nH]1 2269285388 QKHVKNKELYPSNY-UHFFFAOYSA-N 316.839 2.489 10 10 DECE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 2293069229 YBNLZBUAKSWHPM-MRVPVSSYSA-N 323.395 2.370 10 10 DECE CN1CCc2cc([C@@H](O)CNC(=O)C=Cc3ccco3)ccc21 2297572275 QIFQMVDONUKJCJ-KRWDZBQOSA-N 312.369 2.135 10 10 DECE CC(=Cc1ccccc1)C=C1C(=O)N(C)C(=S)N(C)C1=O 2313559601 GBDKOPHFLKBNOC-UHFFFAOYSA-N 300.383 2.232 10 10 DECE Cc1ccc(CN2CCC[C@@H]2CO)c(O)c1Br 2307565625 OPYYYQYFTSBUTN-LLVKDONJSA-N 300.196 2.420 10 10 DECE O=C(O)[C@H]1[C@@H]2C[C@H]1CN2Cc1cc(Br)ccc1O 2311835377 YDJFOPNOKBIVAR-PTOFAABTSA-N 312.163 2.060 10 10 DECE Cc1ccccc1OCC(=O)NC1=NN(c2ccccc2)C(=O)C1 8906492 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2327791610 DJHCZXYHDXWKBT-UHFFFAOYSA-N 315.211 2.079 10 10 DECE O=S1(=O)CCC(NCc2c(O)ccc3ccccc23)CC1 36331610 ZGNBMMBXGGGBFV-UHFFFAOYSA-N 305.399 2.212 10 10 DECE CC(C)CC[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490651 ZBSFZNUWRUPSOY-ZDUSSCGKSA-N 314.451 2.392 10 10 DECE Cc1cccc(CN2CCN(C[C@H]3CCCCN3C)CC2)c1O 180074469 YPBGJIIJVUWBKZ-GOSISDBHSA-N 317.477 2.303 10 10 DECE C[C@H](N)c1nc(C(=O)NCc2ccc(N(C)C)cc2)cs1 90952012 YDMIFHBCNXVFII-JTQLQIEISA-N 304.419 2.159 10 10 DECE C[C@H](N[C@H]1CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 246415328 MUBGOLDYXVCQRG-YLQAJVPDSA-N 308.397 2.226 10 10 DECE CC(=O)c1cc(F)cc(CN2CCO[C@@]3(CCCOC3)C2)c1O 285378123 RLAKYUZDVFBSPV-KRWDZBQOSA-N 323.364 2.115 10 10 DECE COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)C(C)=O 808493437 DITCQKXROVCWMI-UHFFFAOYSA-N 315.325 2.005 10 10 DECE O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(O)c(O)c1 394664681 HKMNNLXUGRELPP-LSDHHAIUSA-N 314.341 2.343 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCN2C(C)(C)C)c1O 826790410 GDWVLFAKRLLLRE-LBPRGKRZSA-N 323.393 2.271 10 10 DECE CN(Cc1ccccc1O)C(=O)C1C[C@@H]2CSC[C@H](C1)C2=O 901055595 PXEKTZSNDSLHTP-AGUYFDCRSA-N 319.426 2.309 10 10 DECE O=C(NCc1ccc(N2CCSCC2)cc1)c1n[nH]cc1F 900254865 PVBKUIOXPMXIRM-UHFFFAOYSA-N 320.393 2.032 10 10 DECE COc1cc(Cl)cc(CN2CC[C@H](O)C(F)(F)C2)c1O 826958277 PUPQAERXFWQFID-NSHDSACASA-N 307.724 2.256 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCC1(O)CCCCCC1 588404700 NWTIFIWBRLMBSA-VURMDHGXSA-N 305.374 2.313 10 10 DECE CCOc1ccc(O)c(CN2CCO[C@H](CCCN(C)C)C2)c1 827855391 BPOIZJLIEBNTCU-QGZVFWFLSA-N 322.449 2.334 10 10 DECE O=C(/C=C\C1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 837707640 NZRBJEQLQXNNRN-ARJAWSKDSA-N 322.355 2.384 10 10 DECE CCn1ncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 839921307 JBVVMARQSFBMPX-ZDUSSCGKSA-N 315.421 2.033 10 10 DECE CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(CC)c1O 848904297 PPXHLOFILGKLHD-HOTGVXAUSA-N 321.417 2.497 10 10 DECE CN1CCCc2cc(CNC(=O)/C=C\c3cnccn3)ccc21 746814539 NYAYPTOFVUDOMD-ALCCZGGFSA-N 308.385 2.189 10 10 DECE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1c(F)ccc(N)c1O 687754925 YTAYDCNSEVCFPY-SECBINFHSA-N 314.313 2.154 10 10 DECE NC[C@@H]1c2ccccc2CCN1Cc1cc2c(cc1O)OCO2 843130134 YGSCVXXMALTETF-OAHLLOKOSA-N 312.369 2.179 10 10 DECE C[C@@H]1CN(C(=N)NCc2ccc(N3CCCC3)cc2)CCO1 848993168 CMGCWWZJCJPRHZ-CQSZACIVSA-N 302.422 2.032 10 10 DECE Cc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c(O)c1O 848266506 GRSPZAQJNLOHFV-KBPBESRZSA-N 305.374 2.484 10 10 DECE Cc1cc(Cl)cc(CNC[C@H]2CCCCS2(=O)=O)c1O 753568411 PWEMFGXSASLZNH-CYBMUJFWSA-N 317.838 2.411 10 10 DECE Nc1ccc(CC(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)cc1 851643042 MCBBGTSKLVVHHT-QZTJIDSGSA-N 309.413 2.073 10 10 DECE C/C=C/CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 858889412 HNJYFWOCOCCHFD-ONEGZZNKSA-N 303.406 2.241 10 10 DECE COCCN1CCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756532442 CCDOMLQTYHGKNH-GXTWGEPZSA-N 323.393 2.062 10 10 DECE CCN(CC)C(=O)C1CCN(Cc2cc(OC)ccc2O)CC1 775663839 FBYHQWSDJQWUCY-UHFFFAOYSA-N 320.433 2.481 10 10 DECE CN(C)c1ccc(CNC(=O)NCC[C@H]2CCOC2)cc1F 784542817 WDURIPKDYISTLD-LBPRGKRZSA-N 309.385 2.118 10 10 DECE COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(F)c(F)c1O)C2 895584112 QRGVNFPAVNUICO-ZBEGNZNMSA-N 311.328 2.446 10 10 DECE COc1ccc(CNC(=O)[C@H](OC)c2ccc(O)cc2)c(O)c1 794389307 KTLIEXHUEPLXFK-MRXNPFEDSA-N 317.341 2.110 10 10 DECE O=C1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)c2ccccc2N1 1152566035 SPMZWUXGNOQIDQ-CYBMUJFWSA-N 308.337 2.360 10 10 DECE C[C@@H]1C[S@](=O)CCN1Cc1cccc(Br)c1O 1970344936 HUWODCAXGWNHFZ-VVVCHXIZSA-N 318.236 2.108 10 10 DECE CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc(O)cc1O 1162279198 VMOBSXFPQKBWNQ-UHFFFAOYSA-N 324.377 2.017 10 10 DECE CN(C)C(=O)OCCNCc1cc(Cl)cc(Cl)c1O 689008265 HMFLFYJBIMNTDW-UHFFFAOYSA-N 307.177 2.487 10 10 DECE CN(C)c1ccc(CNC(=O)c2c(F)ccnc2F)cc1F 1358003913 JVYVMQQTZLBTQZ-UHFFFAOYSA-N 309.291 2.495 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2nc[nH]c3nccc2-3)c1 1636061024 BTFLXUCWJFQVNZ-VIFPVBQESA-N 312.329 2.115 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nnc(C)o2)c1 1639086329 NNBOUEDOFOYZPU-BDAKNGLRSA-N 320.349 2.214 10 10 DECE Cc1c(C(F)(F)F)n[nH]c1C(=O)NCc1cc(O)ccc1O 1644757121 VATGIZBSWWORMY-UHFFFAOYSA-N 315.251 2.078 10 10 DECE CCn1c(C2=C[C@@H](O)[C@H](N)C2)nc2cc(Br)ccc21 2131474995 NHTGGYBLFBPINR-ZWNOBZJWSA-N 322.206 2.294 10 10 DECE CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1c1cc(N)ccc1O 1952990662 TUTDAZAZOYEZPM-OCCSQVGLSA-N 307.394 2.244 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)cc2)CCCO1 1977952722 SPNUOVSWDOICQQ-HNNXBMFYSA-N 321.421 2.389 10 10 DECE NCc1cc(F)c(N2CCO[C@H]3C[C@@H]32)cc1Br 2004433361 YFPCCDGVVLTNPZ-RYUDHWBXSA-N 301.159 2.024 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1ccnnc1 2034409342 GTEBYGOOFDWQRY-UHFFFAOYSA-N 312.142 2.374 10 10 DECE Nc1ccc(OCCC(=O)NCCC=CBr)cc1 2051148742 YBFRVNYLOWINIC-UHFFFAOYSA-N 313.195 2.453 10 10 DECE OCc1ccc(N2CC3(CC(CO)C3)C2)c(Br)c1 2066458788 UKGAJLRRWYGSLF-UHFFFAOYSA-N 312.207 2.150 10 10 DECE CNCc1ccc(N(C)[C@H]2CN3CC[C@H]2C3)cc1Br 2102507029 KJTLOYZRLXCCHX-WFASDCNBSA-N 324.266 2.309 10 10 DECE CCS(=O)(=O)CCN(C)c1ccc([C@H](C)N)cc1Cl 2114060235 SMYFQLGREOGQNT-JTQLQIEISA-N 304.843 2.231 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NCc2ccc(O)cc2O)C1 2212424711 WPXRSXTUXUTHPX-SJKOYZFVSA-N 320.389 2.197 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)CNC(=O)OCc1ccccc1 2209150923 HOKMESRCPZZWHT-CHWSQXEVSA-N 317.349 2.260 10 10 DECE CN1C(=O)C(=Cc2ccccc2OCCC(=O)O)SC1=S 2294872071 RIIRMWCLVQALQQ-UHFFFAOYSA-N 323.395 2.371 10 10 DECE Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1 2297329066 WNBRROQPFNUFHI-UHFFFAOYSA-N 323.352 2.186 10 10 DECE CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=Cc1ccc(O)c(O)c1 2308002332 UXHWDWNGHRAMPV-CABCVRRESA-N 316.401 2.196 10 10 DECE O=C(O)C[C@@H]1C[C@@H]1CNCc1ccc(Br)cc1O 2314308061 GWQUYJTUOQCQNZ-VHSXEESVSA-N 314.179 2.355 10 10 DECE Cc1ccc(CNCCCCC(N)=O)c(O)c1Br 2327624617 SXFCIGHUDTVGAM-UHFFFAOYSA-N 315.211 2.208 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@]3(CN)C2)c(O)c1Br 2327620478 DJAUQWGITXRASD-FZMZJTMJSA-N 311.223 2.244 10 10 DECE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327788417 CWLXIQWBXSOSEZ-NXEZZACHSA-N 314.179 2.114 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@@H]2CNC[C@H]21 300438750 YWOXQQRAPYOTHW-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1 185624612 IOUPFTJLPHFKHP-INIZCTEOSA-N 307.438 2.301 10 10 DECE Cc1n[nH]c([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n1 180109305 SCGULRXIANCMQR-OAHLLOKOSA-N 302.378 2.009 10 10 DECE Nc1ccc(F)c(NS(=O)(=O)c2cccc3nsnc23)c1 36961540 AIPKCCHVNMPCBD-UHFFFAOYSA-N 324.362 2.213 10 10 DECE Cc1ccc(O)c([C@H](C)NCCNC(=O)c2ccccc2O)c1 185301398 LMSYMPGVYTYAMH-ZDUSSCGKSA-N 314.385 2.487 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 136747656 WHICTBHCTIGBID-CMPLNLGQSA-N 315.373 2.421 10 10 DECE Nc1ccc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1 261844348 CWTKITBCXMYDFG-SNPRPXQTSA-N 302.374 2.056 10 10 DECE CCO[C@@H]1C[C@@H](NCc2cc(F)ccc2O)[C@H]1n1cccn1 816672092 PKAVXMLJLOKRDF-FVQBIDKESA-N 305.353 2.236 10 10 DECE Oc1cccc2c1[C@@H](NCC1(C3(O)CCOCC3)CC1)CC2 903347473 OQCGCOWSPBPYJQ-AWEZNQCLSA-N 303.402 2.291 10 10 DECE C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 832266897 KWVFALRQMVDNGX-CXAGYDPISA-N 312.417 2.067 10 10 DECE COC1([C@H](NCc2c(O)ccc(Cl)c2F)C(=O)O)CCC1 904051517 WPXMKHZRCZGRDD-GFCCVEGCSA-N 317.744 2.297 10 10 DECE C[C@@H](C(=O)O)C1CN(Cc2ccc(Br)cc2O)C1 691415168 REOITBUVLNDALV-MRVPVSSYSA-N 314.179 2.307 10 10 DECE CN(C)c1ccc(/C=C/CN2CCC(CC(N)=O)CC2)cc1 835025554 KSGFMNBJKMEXNU-ONEGZZNKSA-N 301.434 2.353 10 10 DECE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H]1CN(C)CCO1 835042876 LCADAYOUIPZSOF-YMTSHVIYSA-N 303.450 2.075 10 10 DECE c1cc2c(cc1CNCc1nc3c(s1)COCC3)CCO2 922965376 PIIIABKLSMIHCR-UHFFFAOYSA-N 302.399 2.441 10 10 DECE C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2O)CS1(=O)=O 850368739 PJTICMPFRUUHHI-JOYOIKCWSA-N 303.811 2.101 10 10 DECE Cc1ccc(O)c(CNC(=O)NCc2nn(C)cc2C(F)F)c1 869113025 FCRWLMCVADZIQO-UHFFFAOYSA-N 324.331 2.371 10 10 DECE COCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1 775904433 ZVKCHBQEDXQEFX-LLVKDONJSA-N 303.362 2.378 10 10 DECE C[C@@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 1123604195 IGCJOGSOWIUVMN-CQSZACIVSA-N 317.433 2.269 10 10 DECE CCN(c1ccc(CN)cc1Br)[C@@H]1CCN(C)C1 693507645 GAKCPLIEOJZPOC-GFCCVEGCSA-N 312.255 2.438 10 10 DECE CNCc1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Cl)c1 694112686 OYLBWOIBEGQLSJ-LBPRGKRZSA-N 316.854 2.073 10 10 DECE O=C(/C=C/c1ccncn1)NCc1ccc2cccnc2c1O 1299721852 SEOXTUJAHKQPGJ-AATRIKPKSA-N 306.325 2.060 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccccn1 1633818052 CTJLELBQDSWOSA-VXGBXAGGSA-N 300.358 2.344 10 10 DECE Cc1nc2ccccn2c1CNC(=O)/C=C/c1ccc(O)c(O)c1 1647297193 RSCNWAPRVYQELI-SOFGYWHQSA-N 323.352 2.384 10 10 DECE O=C(Cc1cc2ccccc2nc1O)NCc1c(O)cccc1O 1652622757 HUAVOXGETJMKJP-UHFFFAOYSA-N 324.336 2.211 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccccc1-n1cccn1 1652623261 RIIXWXXTDPNGBL-UHFFFAOYSA-N 309.325 2.214 10 10 DECE CO[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1F 1942647722 LGZISZYWGZPOAO-GHMZBOCLSA-N 304.159 2.323 10 10 DECE C[C@@]1(CO)CCN1c1cc(Br)c(CN)cc1F 1947979055 CPHTUHCNZQSLFJ-LBPRGKRZSA-N 303.175 2.008 10 10 DECE COc1ccc(Br)c(CNC(C)(C)[C@@H](C)O)c1O 1969984704 MOGLJQFSNYZQEK-MRVPVSSYSA-N 318.211 2.412 10 10 DECE CN(C)c1ccc([C@]2(NC(=O)OC(C)(C)C)CCNC2)cc1 1952155744 PPKFCHWXNAILSG-KRWDZBQOSA-N 305.422 2.466 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@H]1CC[C@H]1N 1998370655 ACADIEHXJDKUPA-MNOVXSKESA-N 303.175 2.215 10 10 DECE O=C(O)C[C@@H]1CCN1Cc1cc(Br)ccc1O 2001240631 OJERRIDRPCKLQP-JTQLQIEISA-N 300.152 2.204 10 10 DECE [N-]=[N+]=NC1CN(C(=O)c2ncc(Br)cc2F)C1 2002450819 JIGZMIDYNKCFRA-UHFFFAOYSA-N 300.091 2.118 10 10 DECE CCn1nnc(Br)c1N(C)Cc1ccc(N)cc1 2038787779 WLVRDQXYSWHGEO-UHFFFAOYSA-N 310.199 2.279 10 10 DECE C[C@@H](CS(=O)(=O)C(C)(C)C)NCc1cccc(F)c1O 2170597275 NQTGJTSGULXLRO-JTQLQIEISA-N 303.399 2.223 10 10 DECE OCc1ccc(N2C3CCC2(CO)CC3)c(Br)c1 723050074 JBCZEBFIOJOKFI-UHFFFAOYSA-N 312.207 2.435 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1Br 2078267636 NKVSINHDYMMCDD-YYESSMSJSA-N 311.223 2.286 10 10 DECE C[C@]12C[C@@H]1CN(c1cc3c(cc1Br)[C@@H](N)C(=O)N3)C2 2096159972 FBFHHRHYQZTYIX-QVCNTJRGSA-N 322.206 2.247 10 10 DECE COc1cccc(CN=c2[nH]nc(Br)s2)c1O 2213669087 GMVXFGOMZJNOAE-UHFFFAOYSA-N 316.180 2.049 10 10 DECE COC(=O)COc1ccc(C=C2SC(=S)N(C)C2=O)cc1 2296673573 XNDBLANARJESOT-UHFFFAOYSA-N 323.395 2.069 10 10 DECE COc1ncc(/C=C\C(=O)N2CCc3c(F)ccc(F)c32)cn1 492813392 YQXNRQGOQHARFZ-DJWKRKHSSA-N 317.295 2.366 10 10 DECE C[C@H](N)Cc1cnc(S[C@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2342080951 CQZIKNNLVKWPQI-ATZCPNFKSA-N 320.505 2.091 10 10 DECE C[C@H](NCCN1CCCC1)c1ccc(N2CCC(O)CC2)cc1 178307190 NSNNVKQVJDQGEH-INIZCTEOSA-N 317.477 2.394 10 10 DECE NC(=S)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 126152635 FOIYQVRVZPMKRR-UHFFFAOYSA-N 302.355 2.179 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn2ccnc2c1 186381181 HCUSONHNPPQWCL-NSHDSACASA-N 311.341 2.107 10 10 DECE O=C(Nc1cc(O)c(O)c(O)c1)Nc1ccccc1[N+](=O)[O-] 217278610 QSRNESICQAADJN-UHFFFAOYSA-N 305.246 2.356 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1 195223560 MKRKNBNVJOCZQX-KRWDZBQOSA-N 316.449 2.132 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1O 192589462 GTIKAIOULFVUMY-MSOLQXFVSA-N 304.434 2.259 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40349041 PQLZVZLJWPLGRB-NSHDSACASA-N 322.352 2.373 10 10 DECE C[C@H](CS(C)(=O)=O)N(C)Cc1c(O)ccc2ccccc12 93384459 XOPNXSKVJYIJCD-GFCCVEGCSA-N 307.415 2.410 10 10 DECE CCN(CC)c1ccc(CN2CC[C@@]3(CNC(=O)C3)C2)cc1 279383139 JKPMEQQBVPZOTQ-GOSISDBHSA-N 301.434 2.245 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(Cl)nc1C(F)(F)F 808541021 BIQRJKMZMDANDS-UHFFFAOYSA-N 309.627 2.069 10 10 DECE CC[C@@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 819171999 UCDOPWMIAWABIU-UONOGXRCSA-N 318.373 2.114 10 10 DECE COC[C@@](C)(O)CCNCc1cc(Br)ccc1O 824559177 JGFODAAPLWTJQM-ZDUSSCGKSA-N 318.211 2.032 10 10 DECE Cc1ccc(O)c(CN2CCC(N3[C@H]4CC[C@H]3CNC4)CC2)c1 903978530 PSHQDYXVHUNCSK-ROUUACIJSA-N 315.461 2.101 10 10 DECE CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1 900937101 CJRAPCWTHQUHAN-UHFFFAOYSA-N 306.387 2.137 10 10 DECE COC1(C(=O)NCc2ccc(O)c(O)c2)CCC(F)(F)CC1 830559279 LLRXACNQRYCWCX-UHFFFAOYSA-N 315.316 2.309 10 10 DECE CCN(C)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 830292123 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CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1895876438 VEWJJQGFEZXOHD-USZNOCQGSA-N 321.381 2.153 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1ccc(O)c(O)c1 1959192832 OBESUSJQJWXTML-YNZJMPHRSA-N 306.362 2.107 10 10 DECE Cc1nnc(CCC(=O)NCc2c(O)ccc3ccccc23)o1 1157041606 KJQPLBBJAVMDMC-UHFFFAOYSA-N 311.341 2.486 10 10 DECE COc1nscc1CN(C)C(=O)c1ccc(C)c(O)c1O 1529118249 DMBZOFBFERBZNM-UHFFFAOYSA-N 308.359 2.144 10 10 DECE Cc1cc(C)cc(OCC(=O)NCc2cccc(O)c2O)c1 1651173115 QZTQVQRKQSMTOV-UHFFFAOYSA-N 301.342 2.410 10 10 DECE O=C(NCc1cccc(O)c1O)c1ncnc2sccc12 1593744833 UVTILGSOYDGTOY-UHFFFAOYSA-N 301.327 2.033 10 10 DECE CCOc1ccccc1NC(=O)CN1C(=O)[C@H](C)SC1=S 11635415 ZYOWDTOMHFYTLG-VIFPVBQESA-N 324.427 2.273 10 10 DECE COCC1=CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 167802323 LMRJMGDRXOREPR-AWEZNQCLSA-N 307.781 2.075 10 10 DECE CSCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 152488106 UUUZYQTULWWZIA-UHFFFAOYSA-N 309.479 2.006 10 10 DECE CCOC(C)(C)CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912146467 BOUCVXHLLVEBCD-LLVKDONJSA-N 304.416 2.154 10 10 DECE CS(=O)(=O)c1ccc([S@@](=O)CCCCN=[N+]=[N-])cc1 1912157172 WYWZAELMUMJGTF-SFHVURJKSA-N 301.393 2.288 10 10 DECE COC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977938324 IDFFLBJIENCNOM-HUUCEWRRSA-N 324.421 2.326 10 10 DECE CC1([C@@H]2CCCCN2c2cc3c(cc2N)OCCO3)OCCO1 2145808088 XEPBPMHPAFIMSF-INIZCTEOSA-N 320.389 2.162 10 10 DECE CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153852915 INZHKSUKBWTEFR-CYBMUJFWSA-N 316.854 2.071 10 10 DECE CNCc1ccc(N2C[C@H](CO)C[C@@H]2C)cc1Br 2038885546 NSHYBSNTYDAIRA-WDEREUQCSA-N 313.239 2.376 10 10 DECE C[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 309967821 GNISAAJHKAPXPI-CJNGLKHVSA-N 317.393 2.394 10 10 DECE OCCN(CC1CC1)c1ccc(CO)cc1Br 688376209 ALZGCEMFXRXEHA-UHFFFAOYSA-N 300.196 2.150 10 10 DECE CC(=O)c1cc(Cl)cc(CN(C)CC[S@@](C)=O)c1O 399875939 RKCBFXNFVIVSKX-LJQANCHMSA-N 303.811 2.059 10 10 DECE C[C@@H](C[C@@H](C)C(F)F)NS(=O)(=O)Cc1ccc(N)cc1 2177909646 WSERJJLGQXRLKW-ZJUUUORDSA-N 306.378 2.368 10 10 DECE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1c(O)cccc1Cl 2179902697 REEPZAMEWJCSNX-SNVBAGLBSA-N 317.838 2.443 10 10 DECE COc1cc(Cl)cc(CN2CCC(F)(CN)CC2)c1O 1222548473 NIJDGHMGQNTQSN-UHFFFAOYSA-N 302.777 2.317 10 10 DECE COc1ccc(Br)c(CN(C)[C@@H]2CCOC2)c1O 1231554361 PYHKTGRSONTBIG-SECBINFHSA-N 316.195 2.384 10 10 DECE CNCc1ccc(N2C[C@@H]3C[C@H]2CN3C)c(Br)c1 2067394660 NSMMAOUSIWSXOJ-RYUDHWBXSA-N 310.239 2.061 10 10 DECE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2nccnc2Br)C1 2256090405 DQTFLRKMDZJEHN-ZETCQYMHSA-N 311.143 2.012 10 10 DECE Cc1cc(Br)nc(NC(=O)c2ccc(O)c(O)c2)n1 2271993592 JNOFMYMWSRSTDR-UHFFFAOYSA-N 324.134 2.211 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cnnc(Br)c1 2273912248 HTKMGFXQMUXYSS-UHFFFAOYSA-N 322.162 2.217 10 10 DECE C[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)CCN1C 2308001383 DBPFASWTNHEQDG-TZMCWYRMSA-N 304.390 2.052 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311861962 DLDHCOGAPNLLQQ-DIUUZDHRSA-N 312.207 2.319 10 10 DECE O=C1C/C(=C/c2ccc(O)c(O)c2)C(=O)N1CCc1ccccc1 102733196 KXFGQKOJKOMAPV-GDNBJRDFSA-N 323.348 2.483 10 10 DECE Nc1ccc(CS(=O)(=O)NCc2cc(F)ccc2F)cc1 111405045 RXVKQUNCXUOZPS-UHFFFAOYSA-N 312.341 2.167 10 10 DECE Oc1ccc([C@@H]2NC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1O 309644060 WFNSUDZAXGNUJE-GJYPPUQNSA-N 310.397 2.490 10 10 DECE O=C(c1cccc(O)c1O)N1CCO[C@H](c2cccs2)C1 185850635 PZMMDWXMYFOCKR-LBPRGKRZSA-N 305.355 2.373 10 10 DECE C[C@@H](CNCc1cc(Br)ccc1O)[S@](C)=O 126109252 INXXFDZGEXKZRG-ZKANADHPSA-N 306.225 2.011 10 10 DECE CCNCc1ccc(OC)c(C[S@@](=O)C2CCOCC2)c1 84054393 SDXQOBPJMFZSKZ-NRFANRHFSA-N 311.447 2.232 10 10 DECE C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCC(O)CC2)cc1 134646228 FLNMPFAUMJCPGC-YQQAZPJKSA-N 316.445 2.235 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(NCc3cc(F)ccc3O)[C@@H]2C1 232499309 LQSHOECGYDHAME-CHWSQXEVSA-N 322.380 2.486 10 10 DECE CC(=O)C(=O)COC(=O)c1csc(Cc2ccc(F)cc2)n1 808511930 FITYEABOXWRTAX-UHFFFAOYSA-N 321.329 2.188 10 10 DECE CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1C1CCCC1 808536159 LSBNLCBXGPHQST-UHFFFAOYSA-N 306.362 2.266 10 10 DECE COCc1ccccc1CS(=O)(=O)NCc1ccccc1O 805008944 KFXMJCTXAVEIJL-UHFFFAOYSA-N 321.398 2.158 10 10 DECE CC(C)(C(=O)NCCCSc1nccs1)n1cccn1 827475149 TYRSBDKGMXACMU-UHFFFAOYSA-N 310.448 2.373 10 10 DECE COC(=O)[C@H]1CCN(Cc2ccc(Br)cc2O)C1 824576038 YBIPHYOIKGQFCS-JTQLQIEISA-N 314.179 2.150 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@H]1CCOC2(CCCC2)C1 907060455 OIEYPUIXYFWLPW-ZDUSSCGKSA-N 305.374 2.453 10 10 DECE Cc1cc(C(=O)N[C@@H](C)CCC(=O)O)c(C)n1-c1ccccn1 909452559 FKDPYJHPOCELHS-NSHDSACASA-N 315.373 2.472 10 10 DECE C[C@@H]1CN(CCO)[C@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 841892204 VBQIXCQXDUAGKJ-SDKBWNRFSA-N 317.477 2.153 10 10 DECE O=C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C2CC2)C1 912183252 GMFZTRKGIHLPNH-OKEUPSHZSA-N 301.342 2.081 10 10 DECE CO[C@H](CCNC(=O)NCc1cc(C)ccc1O)C(F)(F)F 858383869 XOOFYMMYXXPBRD-GFCCVEGCSA-N 320.311 2.467 10 10 DECE Oc1cccc2c1C[C@@H](NCc1ccc(N3CCOCC3)cc1)C2 758557444 AZFZDISIQLQBIU-KRWDZBQOSA-N 324.424 2.486 10 10 DECE CC(C)[C@H](N)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 851682860 YBIPHLGYKXJPHR-MRXNPFEDSA-N 306.454 2.267 10 10 DECE COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc2c(c1)CCCN2C 850099576 OZQAHRCOKMRORW-APHBMKBZSA-N 302.418 2.356 10 10 DECE CCN(C)c1ccc([C@H](C)NC2CN(c3ccncn3)C2)cc1 866494059 HODOLCFGLJYBHK-AWEZNQCLSA-N 311.433 2.472 10 10 DECE CN(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1143966214 XLPYSRVGVQZQAP-UHFFFAOYSA-N 320.433 2.363 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1Nc1ccc(N)cc1 1959362820 HPVOYIZPLUVHTK-ZIAGYGMSSA-N 307.394 2.363 10 10 DECE COc1cccc(CNC[C@H]2COc3ccccc3O2)c1O 76272149 JQERLUUDZCWLLB-ZDUSSCGKSA-N 301.342 2.330 10 10 DECE O=C(O)C1=C[C@@H](c2ccc(N3CCCCC3)cc2)NC(=S)N1 76260812 CDMPBHKZQDSKFI-ZDUSSCGKSA-N 317.414 2.164 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ncc(Br)s1 714032481 IPEZMTWAHWQFLX-LURJTMIESA-N 320.172 2.020 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2ccns2)cc1C 1266941863 FZDCFADITUDADA-LBPRGKRZSA-N 319.430 2.368 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccn2)no1 1455357258 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323.395 2.377 10 10 DECE COc1ccc(N2CCN(CCOCC(C)C)CC2)c(OC)c1 1197104694 KRQKLBLDUAQDFD-UHFFFAOYSA-N 322.449 2.498 10 10 DECE CCOCC(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1505549806 BSMWEWSKSPNFOJ-UONOGXRCSA-N 308.422 2.023 10 10 DECE C[C@H](COc1cccc(F)c1)NC(=O)Cc1ccc(O)c(O)c1 1291971566 VYPYCHQHHXQQMF-LLVKDONJSA-N 319.332 2.363 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3cnccn3)C2)cc1 1456220614 TZFLSLYSUCPOPA-LBPRGKRZSA-N 324.344 2.269 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2ccc3nonc3c2)cc1 1472277583 SYXKTBMPUITYSZ-UHFFFAOYSA-N 324.300 2.315 10 10 DECE Cc1cnc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCN2C 1540217383 HDBNTTJBEKKOOJ-ARJAWSKDSA-N 312.348 2.420 10 10 DECE CN(C)c1ccc(CNC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cc1 1540494434 PFQRLHJKJXTZGX-UHFFFAOYSA-N 323.400 2.411 10 10 DECE O=C(NCc1cc(O)ccc1O)c1c(Cl)nc2ccccn12 1633595340 RYYMIWCISPHZKM-UHFFFAOYSA-N 317.732 2.329 10 10 DECE CCOC(=O)CN(CCOCC1CC1)Cc1ccccc1O 1646326513 OEIDBVWQFNDORU-UHFFFAOYSA-N 307.390 2.184 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CC(=O)N(C2CC2)C1 1645440391 BEQSWVDPWDCIAE-ZDUSSCGKSA-N 324.380 2.173 10 10 DECE COCCOCCC(=O)NCc1c(O)ccc2ccccc12 1652706169 XSNCBJNTSQSCQS-UHFFFAOYSA-N 303.358 2.215 10 10 DECE CN1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1=O 1965964185 WRIXXWXVLKBILR-MRVPVSSYSA-N 303.189 2.267 10 10 DECE Nc1ccc(OCCN2CCC(NC(=O)C3CCC3)CC2)cc1 586051289 LLJXEUZOABKZDU-UHFFFAOYSA-N 317.433 2.028 10 10 DECE Cn1cncc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1889837302 HIDXVHLCWAFJTP-HOCLYGCPSA-N 310.401 2.339 10 10 DECE Cc1nc(CNCc2cc(Cl)cc(Cl)c2O)nn1C 2134169812 GSWMIVCLQAETHT-UHFFFAOYSA-N 301.177 2.426 10 10 DECE C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccc(N)cc1 1901474970 RYECLLNJTQXCON-ZDUSSCGKSA-N 323.437 2.493 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C(NCc3ccccc3O)[C@H]2C1 227567486 LBQAXLGUALALOZ-STQMWFEESA-N 304.390 2.347 10 10 DECE NC1(C2CN(Cc3cc(Br)cc(F)c3O)C2)CC1 1924044349 VTIPLINDIRLSKD-UHFFFAOYSA-N 315.186 2.217 10 10 DECE C[C@H]1C[C@@H](CO)CN1c1ccc(CO)c(Br)c1 1950535437 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CC1(CC(=O)O)CN(Cc2ccc(Br)cc2O)C1 2077014854 MDTXPWYAUBAGQJ-UHFFFAOYSA-N 314.179 2.451 10 10 DECE Cc1cc2n(n1)CCN(c1ccc(CO)c(Br)c1)C2 2089964421 ZCORAHBGXIJAQA-UHFFFAOYSA-N 322.206 2.467 10 10 DECE C[C@H](N)c1ccc(N2CC(n3ccnn3)C2)cc1Br 2113836732 SFQZSKZTKPJPGW-VIFPVBQESA-N 322.210 2.122 10 10 DECE Oc1cc(Br)ccc1CNCCN1CC[C@@H]2C[C@H]21 2261361112 LTYLVZUPQSEXPD-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE COC(=O)c1ccc(CNCc2cnc(SC)s2)cn1 2284540456 BOUBFPBOKSNRNX-UHFFFAOYSA-N 309.416 2.336 10 10 DECE Cc1ccc(CN2C[C@@H](C)[C@@H](O)C2)c(O)c1Br 2307478616 ZKFHGRHTUJPOGP-KOLCDFICSA-N 300.196 2.276 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCC2(C)COC2)cc1 171851286 XTFYHKYUSCHYFV-UHFFFAOYSA-N 305.422 2.369 10 10 DECE CCCN(Cc1ccccc1O)C(=O)COC[C@@H]1CCOC1 118783708 DPXWYBIANFWTBD-CQSZACIVSA-N 307.390 2.184 10 10 DECE O=C1CCc2cc(N3CCN(C(=O)C4CCC4)CC3)ccc2N1 62575857 GCLWTFCYTFCWGH-UHFFFAOYSA-N 313.401 2.020 10 10 DECE CCn1c(C)nc2c(O)c(CN3CCCCC3)ccc2c1=O 39124457 UTHBSWXXDUVNAA-UHFFFAOYSA-N 301.390 2.416 10 10 DECE O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2F)ccc1O 133751397 QDXICNLDFGUTTF-UHFFFAOYSA-N 312.278 2.240 10 10 DECE CNCc1ccc(N2CCCN(C)CC2)cc1Br 234433467 HQJJXMWKZDGIPM-UHFFFAOYSA-N 312.255 2.310 10 10 DECE CS(=O)(=O)CCC(=O)N(c1ccccc1)c1ccc(N)cc1 242852477 GAKLMIKBZALGCW-UHFFFAOYSA-N 318.398 2.368 10 10 DECE O=C(/C=C\c1cnc2ccccc2n1)N1CCOc2ccncc21 255179888 LJVDSCVHVGFCMN-WAYWQWQTSA-N 318.336 2.464 10 10 DECE Cc1oc(C2CC2)nc1C(=O)OCC(=O)c1ccc(O)c(O)c1 803916433 JFBIUQRHSUTDGH-UHFFFAOYSA-N 317.297 2.311 10 10 DECE CN(C)CC(=O)c1ccc(OCc2ccccc2)c(O)c1O 390765922 FDQHXTDLMWXUNA-UHFFFAOYSA-N 301.342 2.421 10 10 DECE Oc1cc(O)c([C@@H](C2CCCCC2)N2CCNCC2)c(O)c1 575274573 QHPLYABBUSGHGF-QGZVFWFLSA-N 306.406 2.330 10 10 DECE CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 827545223 XJAGGODUPJCVRN-GFCCVEGCSA-N 311.813 2.233 10 10 DECE COc1cccc(CNC(=S)Nc2ccc3c(c2)OCO3)n1 735236702 HQZVXUZVMKRNHJ-UHFFFAOYSA-N 317.370 2.306 10 10 DECE CN1CCN(c2ccc(CN[C@H]3CCC[C@H](CO)C3)cc2)CC1 840978331 NIRYUWRLJPCVEC-ROUUACIJSA-N 317.477 2.079 10 10 DECE CC(C)(C)OC(=O)C(C)(C)C(=O)NCc1ccc(O)c(O)c1 843831545 QZNHQWGHRQFFLT-UHFFFAOYSA-N 309.362 2.082 10 10 DECE COc1ccc(N2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 853758573 HPIZIYRFSSRBMO-NSHDSACASA-N 317.349 2.028 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3(N)CCCCC3)C2)cc1 851639182 CJVFIRQFTHVRER-CQSZACIVSA-N 317.433 2.052 10 10 DECE COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1 850494660 VLHKNMYJLFDGCS-XHDPSFHLSA-N 324.377 2.393 10 10 DECE CC[C@@H](N[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O 850481562 LPQWJRHAQQIIGA-MNOVXSKESA-N 302.296 2.340 10 10 DECE O=C(COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)c1ccc(O)c(O)c1 869660988 GWNBCTMMBQZKLJ-UJPOAAIJSA-N 302.326 2.116 10 10 DECE COC(=O)c1c(CN[C@@H]2CO[C@H](C)C2)c2cc(F)ccc2n1C 895083718 LVBVUFCYCCWFFF-PWSUYJOCSA-N 320.364 2.371 10 10 DECE COc1cccc(CNC(=O)c2ncnc3ccsc23)c1O 1150543261 JOABCEFZQUWJQI-UHFFFAOYSA-N 315.354 2.336 10 10 DECE CN(Cc1ccc2oc(=O)n(C)c2c1)c1ccc2c(c1)OCO2 1168215887 YBGKUZNZQQSPRW-UHFFFAOYSA-N 312.325 2.497 10 10 DECE C[C@H]1CN(CCCCN=[N+]=[N-])CC[C@H]1NC(=O)C(F)(F)F 1962302964 DPSLMDMYSWLKFU-VHSXEESVSA-N 307.320 2.466 10 10 DECE COc1ccc(Br)c(CNC[C@@H](O)C(C)C)c1O 1964033363 TVEOYJCATPBMLC-LLVKDONJSA-N 318.211 2.270 10 10 DECE C[C@@]1(C(F)(F)F)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1177104799 CVULHYUZVJNNNL-CYBMUJFWSA-N 303.280 2.441 10 10 DECE CCOc1nccc(C)c1C(=O)NCc1c(O)cccc1O 1178910778 IFIROAXAFZSEKQ-UHFFFAOYSA-N 302.330 2.130 10 10 DECE C[C@H](CNCc1c(O)cccc1Br)[S@@](C)=O 706880716 GXZPQBYJPQEKOW-VPTHRUTESA-N 306.225 2.011 10 10 DECE O=C(C(=O)N1CCC[C@@H]2CCC[C@@H]21)N1Cc2cccc(O)c2C1 1348596021 HUCFUFVYWLPZTQ-WFASDCNBSA-N 314.385 2.026 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(C)[C@@H](C)C2)c1 1294936028 CCXLJRHMUZPYHV-XQQFMLRXSA-N 306.406 2.308 10 10 DECE C[C@H](COc1ccc(F)cc1)NC(=O)c1cccc(O)c1O 1542214490 VBTTYCMUJUJGGF-SNVBAGLBSA-N 305.305 2.434 10 10 DECE O=C(NCc1c(O)cccc1F)[C@H](O)CCc1ccccc1 1471975776 GYEMYNDOBXQYKT-MRXNPFEDSA-N 303.333 2.141 10 10 DECE 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COc1ccc(-n2c(C)cc(C=C3NC(=O)NC3=O)c2C)cc1 2294143976 YUHRKYBXPWGLKT-UHFFFAOYSA-N 311.341 2.283 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)s1 2284501995 VQSIYJOWRUJRDV-RKDXNWHRSA-N 314.432 2.372 10 10 DECE Cc1cncc(/C=C\C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1 492180295 OMFLZBRRHMPVCJ-MWWKQMNYSA-N 321.380 2.094 10 10 DECE Cc1nn(C)cc1[C@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2308000653 HNFGSUPIRICTNY-JTQLQIEISA-N 301.346 2.030 10 10 DECE CCOC(=O)N1CCN(N=Nc2ccc(CC(=O)O)cc2)CC1 2318775679 GIJCIFKFNJHJBA-UHFFFAOYSA-N 320.349 2.087 10 10 DECE Cc1ccc(CN2C[C@@H](O)C3(CC3)C2)c(O)c1Br 2327796058 AVXVPENUZHKBAT-LLVKDONJSA-N 312.207 2.420 10 10 DECE CCn1nc(Br)nc1CN(C)Cc1ccc(N)cc1 2353751441 YWTUMSWOKHGAFJ-UHFFFAOYSA-N 324.226 2.275 10 10 DECE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NCCCC(=O)O 101148412 VNWARJLHVAASSW-UKTHLTGXSA-N 321.764 2.401 10 10 DECE CCOC1=NN(c2ccccc2)C(=O)/C1=C/NCc1cccnc1 100249994 XVTIFWRJKFWLSM-DTQAZKPQSA-N 322.368 2.452 10 10 DECE Nc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 36288618 GGYKTZFKGZDCRA-UHFFFAOYSA-N 302.399 2.236 10 10 DECE CCOc1cccc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O 189014875 KJYRQTVYAHEBBQ-UHFFFAOYSA-N 316.405 2.145 10 10 DECE COc1ccc(N2CCN(C(=O)NCc3ccoc3)CC2)cc1 47089996 QYKFLDXIMGRKAE-UHFFFAOYSA-N 315.373 2.320 10 10 DECE CCOC(=O)CCN1C(=O)/C(=C/c2cccnc2)SC1=S 40888577 VMHYSECYUGSBBI-FLIBITNWSA-N 322.411 2.236 10 10 DECE O=C(c1ccco1)N1CCN(c2ccc3c(c2)OCCO3)CC1 41379986 TUTLZIWAOBMKTR-UHFFFAOYSA-N 314.341 2.013 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 193811449 GWFAEGGCIUKVQO-WMLDXEAASA-N 318.417 2.016 10 10 DECE COc1ccc2[nH]cc(C=C3C(=O)OC(C)(C)OC3=O)c2c1 96565264 ALQAUOHUSCEDFL-UHFFFAOYSA-N 301.298 2.396 10 10 DECE Cc1cc(O)c(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1C 245714057 GOFHHWGEBVTIFN-RDJZCZTQSA-N 304.434 2.162 10 10 DECE CCN(CC)c1ccc(CN(C[C@H](C)O)[C@H](C)CO)cc1F 249087145 MSFXVQOBBMAUET-KGLIPLIRSA-N 312.429 2.236 10 10 DECE Cc1cc(/C=C\C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccc1 255268018 GXHVLRDRLQHMCO-XPSMFNQNSA-N 311.385 2.097 10 10 DECE C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCC(O)CC2)cc1 250133877 XRXUXJORLIQNKP-MORSLUCNSA-N 318.461 2.458 10 10 DECE CC(C)(C)[C@H](O)C(=O)NCc1cc(Br)ccc1O 804734971 GBHUMBAZHSDWAO-LLVKDONJSA-N 316.195 2.178 10 10 DECE CC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C)S1(=O)=O 808191916 DYAKDLCWBQTART-MLGOLLRUSA-N 323.458 2.278 10 10 DECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC12CC2 817556965 QCDZFPWRKRKMCR-GFCCVEGCSA-N 323.776 2.347 10 10 DECE C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)c(F)cc1O 816488438 TYGHOWWUDBCZDU-RKDXNWHRSA-N 300.761 2.271 10 10 DECE COc1ccc(N2CCC(NC(=O)N[C@@H](C)CF)CC2)cc1 814422830 GSOZYRYNQGBXND-LBPRGKRZSA-N 309.385 2.321 10 10 DECE CC(C)(C)N1CC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1=O 820451446 UNRJXOVYGKESGB-DYLGSBMWSA-N 319.357 2.054 10 10 DECE CC[C@H](O)CC(=O)NCc1ccc(N2CCSCC2)cc1 822586038 HCJWAPCXFYMPNX-HNNXBMFYSA-N 308.447 2.017 10 10 DECE CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1ccccc1O 827930222 FIHLQWTWZSAHRO-YPMHNXCESA-N 324.446 2.217 10 10 DECE COc1ccc(N2CC[C@H](CN[C@H](C)[C@@H]3[C@H]4CN[C@H]3C4)C2)cc1 925705553 KXMDEGYYQGWFOO-FJWRHQQOSA-N 315.461 2.108 10 10 DECE Cc1ccc(C(=O)N2CCC[C@H](c3ncccn3)C2)c(O)c1O 924338020 ZTOBTINQYCISNL-LBPRGKRZSA-N 313.357 2.216 10 10 DECE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(N)c(F)cc1O 687755630 SLDJFBIWURZVKT-SNVBAGLBSA-N 314.313 2.154 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)C1CCC1 853749485 UCOLXPDMMAKCHY-MRXNPFEDSA-N 305.422 2.021 10 10 DECE Nc1ccc(NC(=O)C(=O)N2CC3CC2(c2ccccc2)C3)cc1 853328784 OUERIZZCNFFCAO-UHFFFAOYSA-N 321.380 2.355 10 10 DECE C[C@H](NC(=O)N1C[C@H]2COC[C@]2(C)C1)c1ccc(N(C)C)cc1 852261789 VILDQKBEIKPKPC-YEWWUXTCSA-N 317.433 2.492 10 10 DECE C[C@H](NC[C@@H]1CCN1C1CCOCC1)c1c(O)cccc1F 927101060 CZNIOIYUJPRMRJ-JSGCOSHPSA-N 308.397 2.435 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 850346322 FCVCCPVFGRGYEM-OWCLPIDISA-N 315.461 2.489 10 10 DECE COc1cc(Cl)cc(CNC2(CCO)CCOCC2)c1O 761201729 JEMNQLYQFPIPJY-UHFFFAOYSA-N 315.797 2.075 10 10 DECE Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(C)n1-c1ccc(F)cc1 769953620 ZWIITNNNTJVIPB-OAHLLOKOSA-N 316.332 2.279 10 10 DECE O=C(NCCCSc1nccs1)N1CC[C@@]12CCOC2 1118062819 FMEPYBIBXSUHCD-ZDUSSCGKSA-N 313.448 2.200 10 10 DECE Cn1cc(NCc2ccc(Br)cc2O)ccc1=O 691457478 ZSMAPQJCSGQOGO-UHFFFAOYSA-N 309.163 2.466 10 10 DECE Cc1ncccc1/C=C/C(=O)N1CC(=O)N(C)c2ccccc21 1126851127 SAJPONSCTGNIIJ-MDZDMXLPSA-N 307.353 2.413 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@H]12 1895875247 HRMLRSGXLLIZLY-UYUMYWFVSA-N 321.381 2.201 10 10 DECE COc1ccc(CNC(=O)NOCc2ccc(F)cc2)c(O)c1 793048700 MLHQPZUVTSFAQO-UHFFFAOYSA-N 320.320 2.471 10 10 DECE CN1CCCc2cc(CNC(=O)c3cc(F)cnc3O)ccc21 1142465146 CRPJXLVJTGQYIH-UHFFFAOYSA-N 315.348 2.239 10 10 DECE OC[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC[C@H]1O 1899871552 XWHOHDBRLRMJDJ-QFBILLFUSA-N 313.397 2.445 10 10 DECE C[C@H](NC(=O)N1CC[C@@H](CO)[C@@H]1C)c1ccc(N(C)C)cc1 1312531831 MVXDUDMPALOCDB-YDHLFZDLSA-N 305.422 2.226 10 10 DECE Cc1ccc(O)c(CNC(=O)Cn2cc(-c3ccccc3)nn2)c1 1167293899 TUAKOIXNZIBERM-UHFFFAOYSA-N 322.368 2.276 10 10 DECE O=C(C(=O)N1CCC[C@@H]1C1CCC1)N1Cc2cccc(O)c2C1 1332003154 LRKPVWUOVBUVBF-OAHLLOKOSA-N 314.385 2.026 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1CCOC(C)C 1290719523 WBKMZLAQDOTMPV-UHFFFAOYSA-N 304.394 2.354 10 10 DECE COc1sccc1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2117727662 JJXSJTVDBABMKY-UHFFFAOYSA-N 302.381 2.126 10 10 DECE CN(Cc1ncccn1)C(=O)c1cc2cc(O)c(O)cc2s1 1471460443 BUKYJNIVZMXPLL-UHFFFAOYSA-N 315.354 2.375 10 10 DECE CC[C@H](OC)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1480131925 ZQVCZTZOAIJADQ-JYJNAYRXSA-N 320.433 2.165 10 10 DECE CN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 1623554028 LJIWZAWSLYEGMQ-UHFFFAOYSA-N 319.332 2.317 10 10 DECE C[C@H](Oc1cccc(F)c1)C(=O)NCc1c(O)cccc1O 1597568265 DLCAQBXLUSOTHV-JTQLQIEISA-N 305.305 2.321 10 10 DECE Cc1cc(=Nc2ccc(C(=O)O)cc2O)[nH]c2c1c(C)nn2C 1859858184 GCOVSOHOMZIXTC-UHFFFAOYSA-N 312.329 2.154 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1565927991 NHCRZVICVAJUAR-CYBMUJFWSA-N 315.369 2.050 10 10 DECE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCN(C)C 1857909947 TUFIZTJPGQHUNH-UHFFFAOYSA-N 315.417 2.270 10 10 DECE CC(C)(C[C@@H](O)[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1920161499 VMMPDEUMKDIVHG-ZIAGYGMSSA-N 324.421 2.446 10 10 DECE CON(CCNCc1cc(F)ccc1O)C(=O)OC(C)(C)C 1928130860 OGPDTKJWMVKQJG-UHFFFAOYSA-N 314.357 2.419 10 10 DECE Nc1ccc(CNC(=O)c2ncccc2Br)cc1 231755706 JMMALPBPYSAOJD-UHFFFAOYSA-N 306.163 2.356 10 10 DECE CNCc1ccc(N2CC[C@@H]([C@@H](C)O)C2)cc1Br 234373799 HKJDQFLXEWILOQ-ZYHUDNBSSA-N 313.239 2.376 10 10 DECE CNCc1ccc(N2CC[C@H](N(C)C)C2)cc1Br 234376232 XYVBNORXJJWIKH-ZDUSSCGKSA-N 312.255 2.309 10 10 DECE CC1([C@H](NCc2ccc(Br)cc2O)C(=O)O)CC1 1970672254 PWHLRBZIQVTJRP-LLVKDONJSA-N 314.179 2.498 10 10 DECE O=C(O)[C@@H]1CC=CCN1Cc1cc(Br)ccc1O 1970663837 GIAYBOAVVRKDQI-NSHDSACASA-N 312.163 2.370 10 10 DECE CC[C@H](CNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1982317771 VLSNLOBZIYIILN-LLVKDONJSA-N 324.377 2.131 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153846032 QHGOYHCLOLQFPG-TVQRCGJNSA-N 316.854 2.372 10 10 DECE Nc1ccc(CNCCCn2cc(Br)cn2)cc1 2031664888 LGVLTYIHFYYGJA-UHFFFAOYSA-N 309.211 2.408 10 10 DECE CCN1CCCN(c2ccc(CN)c(Br)c2)CC1 307788796 UOFOUMGQNNMVSL-UHFFFAOYSA-N 312.255 2.440 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)nc1 2162752362 NXZQKETUYWHLAH-UHFFFAOYSA-N 311.794 2.138 10 10 DECE CN[C@@H](C)c1cc(F)c(N2CCS[C@H](CO)C2)c(F)c1 2194696964 JESYMJUYXFBXHX-ONGXEEELSA-N 302.390 2.159 10 10 DECE CN(CC1[C@H]2COC[C@H]12)c1ccc(CO)c(Br)c1 2054305522 ABJZPQLGULUXON-CHWSQXEVSA-N 312.207 2.270 10 10 DECE CN(CC1(Br)CC1)c1ccc(CO)cc1[N+](=O)[O-] 2076268656 BGPSZBSAUKJCPI-UHFFFAOYSA-N 315.167 2.451 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H](O)CCO1 2097940199 ARCZJMRRVUJLHB-MNOVXSKESA-N 306.189 2.329 10 10 DECE NCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]3C2)cc1Br 2217902152 SXDQNWYAXVDKHN-JKOKRWQUSA-N 311.223 2.115 10 10 DECE COc1ccc(N2CC[C@]2(C)CO)c(OC)c1Br 2219386689 WCYRAFQKOSFOTM-CYBMUJFWSA-N 316.195 2.427 10 10 DECE CC[C@@H](N)Cc1cnc(SCC2(S(C)(=O)=O)CC2)s1 2229553612 OAJBSIIFEJMBTP-SECBINFHSA-N 320.505 2.092 10 10 DECE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNCCCC(=O)O 2297512614 XQJQBHIXXAZZON-UHFFFAOYSA-N 315.373 2.364 10 10 DECE Cc1ccc(CN[C@H]2CC[C@H](O)C2)c(O)c1Br 2307474382 KXYOFCSQBAXHSA-QWRGUYRKSA-N 300.196 2.466 10 10 DECE COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1 178127051 ZMWGPUZZKLIUER-YOEHRIQHSA-N 318.417 2.301 10 10 DECE CN(CCN=[N+]=[N-])CC1CN(C(=O)OCc2ccccc2)C1 1953752062 QHRRZTWKPHPVAR-UHFFFAOYSA-N 303.366 2.497 10 10 DECE C[C@@H]1OCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 188482961 OHBDMAWJMMZSKW-JSGCOSHPSA-N 304.390 2.293 10 10 DECE O=C(NCCCSc1nccs1)N[C@H]1C[C@H]2CC[C@H]1O2 189558490 WAZBMMBZUBATPK-OUAUKWLOSA-N 313.448 2.244 10 10 DECE COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1O 185774909 JRGLYSJCCCFRRD-ZWNOBZJWSA-N 320.368 2.455 10 10 DECE CCCN[C@](CSc1nccs1)(C(=O)O)C(C)(C)OC 2366313409 IVFJHKZQAOUWGQ-CYBMUJFWSA-N 318.464 2.483 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 2364100658 KUNONUSORBNMSW-NWDGAFQWSA-N 302.400 2.050 10 10 DECE CC(=O)N1CCN(c2ccc(O[C@H]3CCCC[C@H]3O)cc2)CC1 193097051 NVZPKEVOFXOYBA-MSOLQXFVSA-N 318.417 2.037 10 10 DECE COc1ccc(N2CCN(CCC(=O)NC(C)(C)C)CC2)cc1 243198323 KDLRIQDOYSEQOI-UHFFFAOYSA-N 319.449 2.122 10 10 DECE C[C@H]1CN(Cc2ccc3ccccc3c2O)CCN1CCO 816574839 UEUSJNUBJQNJTO-AWEZNQCLSA-N 300.402 2.044 10 10 DECE CO[C@]1(CNC(=O)NCc2ccc(N(C)C)cc2)CCSC1 902931789 MPXDYYICTXFTBN-INIZCTEOSA-N 323.462 2.074 10 10 DECE CCC/C=C\[C@H](O)C(=O)NCc1ccc2cccnc2c1O 911261549 ICYCBMVDUXGWTG-ZBKLQPJUSA-N 300.358 2.274 10 10 DECE CN(C)C1CCC(NC(=O)NCc2c(O)cccc2F)CC1 922937188 MIXZECZYOZYXFI-UHFFFAOYSA-N 309.385 2.203 10 10 DECE Cc1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c(O)c1O 856356638 BOVLGXQKSDXOOO-SECBINFHSA-N 319.279 2.200 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCSC3)C2)cc1 852151716 LEGUXBDFUUVCIQ-STQMWFEESA-N 321.446 2.079 10 10 DECE C[C@@H]1OC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C 924710268 JNPNKWVJNFOLJU-XEZPLFJOSA-N 308.397 2.175 10 10 DECE C[C@H]1COC2(CCCC2)CN1Cc1cc2c(cc1O)OC[C@@H]2O 853576951 GQKYDIQYNWGJLP-LRDDRELGSA-N 319.401 2.352 10 10 DECE c1cc2c(cc1CNC[C@H]1CC3(CCOCC3)CO1)CCO2 865780817 BAACAZAPEZTTRM-MRXNPFEDSA-N 303.402 2.297 10 10 DECE C[C@H](NCc1nc(C2CCOCC2)n[nH]1)c1ccccc1O 866439967 BXRGNJFCMPMWQP-NSHDSACASA-N 302.378 2.255 10 10 DECE CCCC[C@H](NC(=O)NCC)C(=O)NCc1cc(C)ccc1O 862757748 DCAMPHBOEYOIBV-AWEZNQCLSA-N 321.421 2.195 10 10 DECE CCCOc1ccccc1NC[C@H](O)CC1(O)CCOCC1 872213109 WQGWYNXYTQPFAP-CQSZACIVSA-N 309.406 2.180 10 10 DECE CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(O)c1 770380761 QQJVTLPMADZVJK-GOEBONIOSA-N 318.417 2.282 10 10 DECE O=S1(=O)CCC(CCNCc2cccc(Cl)c2O)CC1 776252156 ONADBDHIKVNTJR-UHFFFAOYSA-N 317.838 2.350 10 10 DECE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1 888316600 ZUNGJCQNAXZQLZ-YOEHRIQHSA-N 318.417 2.159 10 10 DECE C[C@@H](Nc1cnn(C)c(=O)c1Br)c1ccccc1O 1877579517 YALLQGOGWYHNAG-MRVPVSSYSA-N 324.178 2.422 10 10 DECE Cc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@H]2C)c(O)c1O 780933384 WUZVFQSTMCCQEZ-BETUJISGSA-N 306.406 2.399 10 10 DECE COC(=O)[C@@H](CC1CCOCC1)NCc1ccc2c(c1)CCO2 895589675 FFMSVSSKMTXRNB-MRXNPFEDSA-N 319.401 2.069 10 10 DECE CCOc1ccc(N2CCN(C(=O)[C@H]3CCC=CO3)CC2)cc1 1137658817 XHOSTHDTCZUVSN-QGZVFWFLSA-N 316.401 2.427 10 10 DECE CC(C)[C@H](CO)CNC(=O)c1cc2cc(O)c(O)cc2s1 897757274 BRQKHDGACYBWPI-JTQLQIEISA-N 309.387 2.307 10 10 DECE CCOC(=O)CC1(NC(=O)c2ccc(C)c(O)c2O)CCCC1 790360256 MFTGHGOHFRIMFW-UHFFFAOYSA-N 321.373 2.402 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COC[C@@H]2C2CC2)cc1 1304935017 QZOULTQFSRUIRJ-CHWSQXEVSA-N 302.334 2.004 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CN(CCN=[N+]=[N-])[C@@]2(CCOC2)C1 1962302792 CEEYJHRSZSHMIK-FZMZJTMJSA-N 311.386 2.055 10 10 DECE CC(C)N(CC(N)=O)c1ccc([C@@H](C)N)c(Br)c1 704566828 BKAQDFFVXUFZRE-SECBINFHSA-N 314.227 2.169 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCCC[C@@]21C 1329907536 BHIDGEQHBOANGC-KSSFIOAISA-N 316.401 2.142 10 10 DECE CCNCc1ccc(N2CC([C@H](C)O)C2)cc1Br 719788288 XQNRGZBFTXYCTL-JTQLQIEISA-N 313.239 2.376 10 10 DECE O=C(CN1CCc2ccccc21)NCc1c(O)cccc1F 1471974800 KRZRVUDGDGTXDF-UHFFFAOYSA-N 300.333 2.210 10 10 DECE O=C(CCN1CCCC1=O)NCc1c(O)ccc2ccccc12 1652708994 RKURPACVZOEBRW-UHFFFAOYSA-N 312.369 2.174 10 10 DECE CN[C@]1(CO)C[C@H](Sc2nccs2)CC[C@H]1COC 2127249509 FUHNNKCQJRWFCG-LOWVWBTDSA-N 302.465 2.001 10 10 DECE Cc1cc(C)c(O)c(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 164323863 LWEKHHBYFFHAEF-KRWDZBQOSA-N 315.417 2.415 10 10 DECE CN(C)c1nc(Cl)c([C@@H](O)[C@H](N)c2ccccc2O)s1 1920467782 FYABDFKVRPZKBT-ZJUUUORDSA-N 313.810 2.302 10 10 DECE CN1CC[C@@H](N)[C@H]1c1c(O)cccc1NC(=O)OC(C)(C)C 1952975854 TWPUOYDEUGLFQQ-YGRLFVJLSA-N 307.394 2.443 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)C2(CC2)C1 1985093540 AXDPEQYGBSEIDM-NSHDSACASA-N 321.381 2.155 10 10 DECE C[C@@H](CCS(C)(=O)=O)Nc1c(N)cccc1Br 1997977035 HPRBPEPQFXPDDM-QMMMGPOBSA-N 321.240 2.266 10 10 DECE Nc1ccc(CCNC(=O)c2cncc(Br)c2)cc1 40675675 JREDPRADLPQQGY-UHFFFAOYSA-N 320.190 2.399 10 10 DECE CCNCc1ccc(OCCCCS(=O)(=O)O)c(C)c1 2155018104 ATBNOADBCSANBO-UHFFFAOYSA-N 301.408 2.151 10 10 DECE CCn1c(O)nnc1Sc1ncc(CNCC(C)C)s1 2155326102 FRQNOWYNTCXPDT-UHFFFAOYSA-N 313.452 2.357 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC(C(F)F)CC2)cc1 307866606 NOJPYKBJSKDZAU-UHFFFAOYSA-N 304.362 2.076 10 10 DECE C[C@@H](CO)CN(C)c1ccc(CN)c(Br)c1F 688325959 OOCORRUHHPUKDI-MRVPVSSYSA-N 305.191 2.112 10 10 DECE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)[C@H](C)c1cc(F)ccc1O 2170656184 ITNBLYUKBCECDA-HBNTYKKESA-N 303.399 2.346 10 10 DECE COc1ccc([C@H](C(C)C)n2nc(C)c(C(=O)O)c2N)c(O)c1 2079956343 FJCQLIWOHNUCOM-AWEZNQCLSA-N 319.361 2.432 10 10 DECE C[C@@H](F)CN1CCN(c2cc(Cl)c(CN)cc2F)CC1 2189977051 MJRWFRCPHQNIIW-SNVBAGLBSA-N 303.784 2.418 10 10 DECE CCON(Cc1cc(Br)cc(F)c1O)C1CNC1 2054545719 NPVYNFQCWQWSMG-UHFFFAOYSA-N 319.174 2.019 10 10 DECE OCc1ccc(N2CC[C@@H](C3(O)CC3)C2)c(Br)c1 2066925212 JXQKLBWBMULGDP-LLVKDONJSA-N 312.207 2.293 10 10 DECE CC(C)(O)[C@H]1CCN1c1cc(Br)c(CN)cc1F 2071159772 FZIGXWJSLYSYKZ-GFCCVEGCSA-N 317.202 2.397 10 10 DECE CCC(F)(F)CC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2283717639 UNZUWKLSVQAHRG-FQEVSTJZSA-N 306.330 2.465 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CNCCC23CCC3)s1 2284636791 AKOHEPGUAXCIEP-LLVKDONJSA-N 311.476 2.261 10 10 DECE COc1cccc(CNS(=O)(=O)C=Cc2ccccc2)c1O 2303161952 VHFFPKBSXSXJTC-UHFFFAOYSA-N 319.382 2.491 10 10 DECE Cc1ccc(CNC[C@@H]2C[C@H]2CO)c(O)c1Br 2307472182 CWKQFHZUQKULKT-QWRGUYRKSA-N 300.196 2.181 10 10 DECE NCc1cc(F)c(N2CCOC[C@@H](F)C2)cc1Br 2315097097 HFHVYKHCXUFLAF-VIFPVBQESA-N 321.165 2.222 10 10 DECE CO[C@@H]1COCCN(Cc2cccc(Br)c2O)C1 2326670137 SJNBHSYOIBCKDV-NSHDSACASA-N 316.195 2.002 10 10 DECE CCCCN(CCC)C(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318519 PKRAMJSDKZWENZ-UHFFFAOYSA-N 319.405 2.187 10 10 DECE CN1CCc2cc([C@H](CN)N(C)Cc3cscn3)ccc21 50287339 ZODIANJFGQXDOV-INIZCTEOSA-N 302.447 2.267 10 10 DECE CN(c1ccc(CNC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 62736350 KKYKXOJYEFEOMP-HNNXBMFYSA-N 310.463 2.198 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@](C)(O)C(C)C 304431506 UQDMHQGCSOSTPR-QGZVFWFLSA-N 315.373 2.387 10 10 DECE COCCN(CCNCc1ccccc1O)C(=O)OC(C)(C)C 218136183 IXNGIGAFHOOGTI-UHFFFAOYSA-N 324.421 2.365 10 10 DECE Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 39957045 PDOXYRMYJYXZQV-HNNXBMFYSA-N 314.341 2.191 10 10 DECE COc1ccc(CN[C@@H](CO)Cc2cccc(C)c2)c(O)c1 189011913 PPPYGVIMGMJAAT-MRXNPFEDSA-N 301.386 2.402 10 10 DECE COC(=O)[C@H](CC(C)C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 294740615 VAXZJWJYMSUKCS-CFNZNRNTSA-N 321.373 2.157 10 10 DECE CCc1cc(C(=O)NCc2cc(Br)ccc2O)n[nH]1 804738697 ADFCGMYDJJCHDM-UHFFFAOYSA-N 324.178 2.370 10 10 DECE O=C(NCc1cc(Br)ccc1O)NCC(F)F 805165824 VOQMYZMCIMRVFA-UHFFFAOYSA-N 309.110 2.219 10 10 DECE Cc1cc(O)c(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1Cl 826539624 XBWYIOWDJDDPTI-GFCCVEGCSA-N 310.781 2.427 10 10 DECE CN(C)c1ccc(/C=C/CNC2(c3nn[nH]n3)CCCC2)cc1 835042255 FZZCIMHSSCRLMK-AATRIKPKSA-N 312.421 2.338 10 10 DECE Oc1ccc(Cl)cc1CN[C@H]1CNCC2(CCOCC2)C1 903973743 HEXJDUVOSFQALQ-CQSZACIVSA-N 310.825 2.294 10 10 DECE CC(C)N(CCNC(=O)NCc1c(O)cccc1F)C(C)C 913859246 NPRZPGLEJHCNQE-UHFFFAOYSA-N 311.401 2.449 10 10 DECE CCN(C)c1ccc(CN2CCOC[C@H]2c2ccnn2C)cc1 844462378 NDBMGKQMJGFROW-SFHVURJKSA-N 314.433 2.450 10 10 DECE COc1ccc(O)c([C@H](C)N[C@H]2CNCC3(CCOCC3)C2)c1 925791634 MKQHDWRZSRZDRE-UONOGXRCSA-N 320.433 2.210 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cc4n(n3)CCC4)C2)cc1 850347674 VSWUCRKOMQWZAA-CQSZACIVSA-N 312.417 2.206 10 10 DECE Cc1cc(CC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(C)n1-c1ccccc1 854599256 VWUYUOCUQOHBDQ-BWTSREIZSA-N 324.424 2.333 10 10 DECE COc1cc(NC(=O)NCc2cc(C)ccc2O)cnc1OC 861409318 BMGFHYOXAIDNBV-UHFFFAOYSA-N 317.345 2.435 10 10 DECE COc1ccc(N2CCC(N[C@H]3CC[C@H](C)NC3)CC2)cc1 863484006 GIXHWPWLDGGLMA-HOCLYGCPSA-N 303.450 2.394 10 10 DECE CCOC(=O)c1cccc(/C=C2\SC(=S)N(CC)C2=O)n1 863175475 HBJFTSGLSNCTIO-FLIBITNWSA-N 322.411 2.479 10 10 DECE Cc1cccc(CS(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1 776434681 JNRGHWMGVAOTSD-UHFFFAOYSA-N 321.354 2.341 10 10 DECE Oc1ccc(F)cc1CNC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 787304903 SYFZVFQPWIICJZ-DLSQHGJNSA-N 315.388 2.130 10 10 DECE Cc1ccc(O)c(CNC(=O)c2c[nH]c3ccccc3c2=O)c1 1147957863 ZDYOQTMJPQGUTK-UHFFFAOYSA-N 308.337 2.472 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)[C@](C)(O)c1ccccc1 1144684305 ZHDZNPGJGNZVGE-DIFFPNOSSA-N 301.342 2.124 10 10 DECE C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1c(O)cccc1F 1178412617 BOEIKFSIWAVWFZ-NSHDSACASA-N 317.316 2.428 10 10 DECE C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 701866576 DIYPRJDXJCNFIB-LLVKDONJSA-N 310.394 2.443 10 10 DECE CCCN(Cc1ccccc1O)C(=O)Nc1ccc[n+]([O-])c1 1263651666 RNXVEUQGBPQRQJ-UHFFFAOYSA-N 301.346 2.470 10 10 DECE COc1cccc(CNC(=O)c2cc(C)cc(C=O)c2O)c1O 1445971528 VUZUTZRISWFFDQ-UHFFFAOYSA-N 315.325 2.157 10 10 DECE CON1CCC(C(=O)NCc2c(O)ccc3ccccc23)CC1 1456310953 RDNIRFCUAYGZRK-UHFFFAOYSA-N 314.385 2.435 10 10 DECE CN(C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCCC1 1618782611 NZJSECDDSATONJ-UHFFFAOYSA-N 320.433 2.411 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CC1)[C@@H]1CCCCO1 1628113835 RLHLTTUCXCGUKP-DOTOQJQBSA-N 305.374 2.104 10 10 DECE O=C(c1ccnc(-c2ccccn2)n1)N1Cc2cccc(O)c2C1 1558036164 VJTVHDHFMNICKU-UHFFFAOYSA-N 318.336 2.400 10 10 DECE Cc1ccc(C(=O)Nc2cccc3ncnc(O)c23)c(O)c1O 1634299002 VUYBINRTPYBLSH-UHFFFAOYSA-N 311.297 2.307 10 10 DECE CCN(C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 1593872945 HMJGBLDRVJSCCW-QGZVFWFLSA-N 314.385 2.407 10 10 DECE C[C@@H](O)c1ccc(N(C)C(C)(C)C(N)=O)cc1Br 1915541879 CSGIPLDGWCZONZ-MRVPVSSYSA-N 315.211 2.203 10 10 DECE CN[C@@H](c1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1936970430 LYHXPFRMYHEEGN-CABCVRRESA-N 322.405 2.289 10 10 DECE OC[C@@H]1CC[C@H](NCc2cccc(Br)c2O)C1 1942375750 SKSMLISZZWOJJH-KOLCDFICSA-N 300.196 2.405 10 10 DECE Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)c(C)cc1O 235901589 KGHVFSOIHKBPOG-UHFFFAOYSA-N 313.766 2.253 10 10 DECE O=C(N[C@H](C(=O)O)c1cccc(O)c1O)OCc1ccccc1 1951383282 BMDZGDZWERYBKA-ZDUSSCGKSA-N 317.297 2.150 10 10 DECE O=C(O)[C@H]1C=CCCN1Cc1ccc(Br)cc1O 1974268914 RHOFDQORCSZTRC-LLVKDONJSA-N 312.163 2.370 10 10 DECE CN(CCN=[N+]=[N-])C(=O)c1cc(CNC(=O)OC(C)(C)C)on1 1985094887 VMPDOXQWUDSDOH-UHFFFAOYSA-N 324.341 2.082 10 10 DECE CNCc1ccc(N2CC[C@@H](O)[C@H](F)C2)c(Br)c1 2027969773 QVBJHRTWTWHTJW-DGCLKSJQSA-N 317.202 2.078 10 10 DECE CNCc1ccc(N2C[C@@H](O)C3(CC3)C2)c(Br)c1 2032405428 IYEDUUWJPDWTMQ-CYBMUJFWSA-N 311.223 2.130 10 10 DECE CNCc1ccc(N(C)CC(F)(F)CO)c(Br)c1 2033566639 GCPHTUUTHULCIO-UHFFFAOYSA-N 323.181 2.232 10 10 DECE CNCc1ccc(N2CC[C@@H](C)[C@H](O)C2)cc1Br 300491433 BHFAZPYJQAREBN-QMTHXVAHSA-N 313.239 2.376 10 10 DECE C[C@@H](c1cc(F)ccc1O)N1CCC(S(C)(=O)=O)CC1 313235520 UBZFLGDREUFUAJ-JTQLQIEISA-N 301.383 2.101 10 10 DECE CCN(C[C@@H](C)O)c1cc(Br)c(CN)cc1F 691437433 XZINJHRTFUTNPV-MRVPVSSYSA-N 305.191 2.254 10 10 DECE CCNC(=O)c1cc(C)nn1[C@@H](C)c1ccc(OC)cc1O 2070124936 JKASAEAEQXVLKF-NSHDSACASA-N 303.362 2.265 10 10 DECE COc1ccc([C@H](C2CCC2)n2nc(C)c(N)c2N)c(O)c1 2079969330 BCJRPYKDKLNZMF-HNNXBMFYSA-N 302.378 2.460 10 10 DECE Oc1c(Br)cccc1CNC1CN(C2CCC2)C1 2050149245 FNKWQIPUWMJEJB-UHFFFAOYSA-N 311.223 2.481 10 10 DECE C[C@@H]1C[C@@H]1N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 2052750286 ZAPPGMYMPKDGFT-HUABCPSTSA-N 310.195 2.246 10 10 DECE C[C@@H](O)c1ccc(N2CC3(CC[C@@H]3O)C2)c(Br)c1 2059146425 OCBWEHSAWHNDSN-RNCFNFMXSA-N 312.207 2.464 10 10 DECE C[C@@H](N=c1[nH]nc(Br)s1)c1c(O)cccc1O 2213671085 ZBRIYPXJPOOKGC-RXMQYKEDSA-N 316.180 2.307 10 10 DECE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nccnc2Br)C1 2256090404 DQTFLRKMDZJEHN-SSDOTTSWSA-N 311.143 2.012 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)s1 2284549295 DWLVSYRVEBENCM-KYZUINATSA-N 314.432 2.372 10 10 DECE Cc1ccc(N2NC(=O)C(=Cc3ccc(O)cc3O)C2=O)cc1C 2313518303 KXRLRZFUFASHIV-UHFFFAOYSA-N 324.336 2.176 10 10 DECE CCn1nc(Br)c(CN2CCC[C@@H]2CN=[N+]=[N-])n1 2326868956 CGIQXGNUPPOPLR-MRVPVSSYSA-N 314.191 2.335 10 10 DECE CSc1ncc(CNC[C@@H]2CC[C@H]3COC[C@@H]3O2)s1 2351606018 DYIZYGCHKBZHAO-NHCYSSNCSA-N 300.449 2.149 10 10 DECE CN(Cc1cnccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 172283213 MLKVQXVNGRUPAO-UHFFFAOYSA-N 317.368 2.023 10 10 DECE Nc1ccc(N2C(=O)CC3(CCC3)C2=O)cc1Br 310795776 AAKFABFIKOZVRQ-UHFFFAOYSA-N 309.163 2.465 10 10 DECE COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1 173300183 IWXUFHLHHSZGSL-OAHLLOKOSA-N 316.313 2.304 10 10 DECE CN(Cc1cc(Cl)ccc1O)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361671007 HBEXVLLOXLSHSG-STQMWFEESA-N 317.838 2.443 10 10 DECE COc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)n1 128921192 MVXBHTLDFWNSGL-UHFFFAOYSA-N 314.389 2.156 10 10 DECE Nc1ccc(OC[C@H](O)CN(CC(F)(F)F)C2CC2)cc1 42738518 MXTIWEMOXHTHDR-GFCCVEGCSA-N 304.312 2.035 10 10 DECE CC[C@@H](C)NC(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1 243497108 NTHDNSBSEOMLLF-CYBMUJFWSA-N 321.421 2.334 10 10 DECE COc1ccc(O)c(CN(C)Cc2nc([C@@H](C)OC)no2)c1 271887769 WKZKAJHFXJANBV-SNVBAGLBSA-N 307.350 2.123 10 10 DECE CC(=O)C(=O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 289722287 SERRDHGFELFRSL-AWEZNQCLSA-N 316.313 2.125 10 10 DECE CC1(/C=C\C(=O)NCCc2ccc(O)c(O)c2)CCOCC1 827294548 DRGHTNGICWISCG-XQRVVYSFSA-N 305.374 2.129 10 10 DECE COC(=O)/C=C/c1ccc(N(C)Cc2ncc[nH]2)c([N+](=O)[O-])c1 735832767 OVKVWQBZRHXNGK-GQCTYLIASA-N 316.317 2.141 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(CC2CCOCC2)C1 919752628 RKGGGIBHSAAVRH-DUXPYHPUSA-N 317.385 2.386 10 10 DECE O=C(O)/C=C\c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 844210751 GNHZLOXNGRDBAG-TXNVCOODSA-N 306.318 2.044 10 10 DECE Cc1cc(Cn2nnc(-c3cscn3)n2)ccc1N(C)C 920354910 JSCFKXNFVJEGFI-UHFFFAOYSA-N 300.391 2.219 10 10 DECE C[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O 850560481 FJLFRWFYKGEYJG-KGLIPLIRSA-N 303.406 2.333 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](C)n4ncnc43)C2)cc1 926680219 KZXTWLWZEUHLQQ-DVOMOZLQSA-N 313.405 2.161 10 10 DECE CN1C(=O)[C@@H](NCc2ccc3c(c2)CCO3)Cc2ccccc21 850352888 LDTSWIRKCYCNBP-INIZCTEOSA-N 308.381 2.299 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2ccnn2C)c1 866612844 CEBWLVIRYAGKJC-GHMZBOCLSA-N 303.362 2.324 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCOC2)c1 784542765 UZOGSJOKLJIFCA-VXGBXAGGSA-N 308.378 2.188 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)NCc3cn(C)nn3)c2C)c1 783454308 CPIWWCIEZZTQGE-UHFFFAOYSA-N 323.400 2.461 10 10 DECE Cc1sc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc1O 1346846445 GFVWHAYTFFSCOQ-UHFFFAOYSA-N 319.386 2.262 10 10 DECE Cc1ccc(O)c(CNC(=O)c2nnc3ccccc3c2O)c1 1301046730 JBIXNJVUKQPTDW-UHFFFAOYSA-N 309.325 2.279 10 10 DECE COc1cccc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O 895845813 PBCZTKDNKLZWMK-ZDUSSCGKSA-N 305.296 2.148 10 10 DECE C[C@@H]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O 1327211167 XEGZQRHIXMZNCL-GDBMZVCRSA-N 322.474 2.342 10 10 DECE C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1cc(F)ccc1O 714360496 VFUATKGSFSWTJG-JQWIXIFHSA-N 301.383 2.149 10 10 DECE Cn1cc(CNCc2ccc3c(c2)CCO3)c(Br)n1 720675437 WDOBKUGHPHBTCJ-UHFFFAOYSA-N 322.206 2.407 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)cs3)C2)cc1 1330078677 KOPCDJPUEFPNDH-GFCCVEGCSA-N 317.414 2.469 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)COC(C)C)cc1C 1265757825 XUOOAANLNHAXQP-CQSZACIVSA-N 308.422 2.023 10 10 DECE COc1cccc(CNC(=O)NC2C[C@@H]3[C@@H](C2)C3(F)F)c1O 1350535008 IHOYSZMLOUBIMK-GHMZBOCLSA-N 312.316 2.244 10 10 DECE C[C@@H](NC(=O)c1cc2ncccn2n1)c1ccc(N(C)C)cc1 1435954200 SJLRLMKPOFYWJA-GFCCVEGCSA-N 309.373 2.286 10 10 DECE O=C(O)CN1C(=O)/C(=C\c2cc(F)ccc2F)SC1=S 1860824967 FYPCSRYWMLVXRX-RUDMXATFSA-N 315.322 2.251 10 10 DECE CCc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1C 1451953012 KMJYCJFFVGAXTD-UHFFFAOYSA-N 310.357 2.166 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1Cc2cncnc2C1 1298573965 BLDMDESHQLVACY-UHFFFAOYSA-N 313.338 2.259 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H]1c1cccc(F)c1 1626766456 MZOWYZHSTRAPBA-KBPBESRZSA-N 301.317 2.452 10 10 DECE CC(=O)Nc1cccc(C(=O)NCc2cccc(O)c2O)c1C 1637046798 YTSZLDZZYQCZPM-UHFFFAOYSA-N 314.341 2.295 10 10 DECE CC(=O)CCOc1c(C)n(Cc2ccc(N)cc2)ccc1=O 1857920338 ZHTLVSPOVPJLBV-UHFFFAOYSA-N 300.358 2.145 10 10 DECE Cn1cc(C(=O)N2CCC(N=[N+]=[N-])CC2)nc1Br 1912196394 KYXBRWHHBBGZFP-UHFFFAOYSA-N 313.159 2.098 10 10 DECE CO[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1F 1942642933 CCVHPHNQQPVIJG-ZYHUDNBSSA-N 304.159 2.323 10 10 DECE CO[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1F 1942647724 LGZISZYWGZPOAO-QWRGUYRKSA-N 304.159 2.323 10 10 DECE CC1([C@H](CO)NCc2cc(Br)ccc2O)CC1 1945353483 MWTAMDIIOXMWLP-LBPRGKRZSA-N 300.196 2.405 10 10 DECE Cc1ccc([C@@H](C)N[C@H](CO)CNC(=O)OC(C)(C)C)c(O)c1 1985777084 HCGRZUADPCGBNS-OLZOCXBDSA-N 324.421 2.237 10 10 DECE CC(C)NCc1cnc(Sc2nnc(O)n2C2CC2)s1 2155335028 VAHIRKUKCOUECJ-UHFFFAOYSA-N 311.436 2.424 10 10 DECE CCN(CCC[C@@H](C)S(=O)(=O)O)Cc1ccc(N)cc1 2155520221 ALRJDICHSGPTFY-GFCCVEGCSA-N 300.424 2.147 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CSC[C@@H]4C3)c(Cl)cc21 711580694 HKWHHESCRAYMRQ-UPFKWVMWSA-N 309.822 2.091 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC1CN([C@@H]2CCOC2)C1 2169356766 VUNKCXYYNGHPPF-GFCCVEGCSA-N 317.216 2.262 10 10 DECE COc1ccc(N2C[C@H](N)C[C@H]2C)c(OC)c1Br 2044343039 UKIHOUXAVMSXHO-RKDXNWHRSA-N 315.211 2.392 10 10 DECE Cn1ncc(CNCc2cc(F)ccc2O)c1Br 2052976740 WKFWAABKLWPPPR-UHFFFAOYSA-N 314.158 2.317 10 10 DECE NCc1ccc(N2CC[C@H](C3(O)CC3)C2)c(Br)c1 2066930566 WQXYNEWIZUONLK-NSHDSACASA-N 311.223 2.259 10 10 DECE CC[C@@H](C)[C@@H](Nc1c(N)cccc1Br)C(N)=O 2253263358 FDVXFWAPZQSHEG-GMSGAONNSA-N 300.200 2.343 10 10 DECE C[C@H](Oc1ccccc1C=C1SC(=S)N(C)C1=O)C(=O)O 2294872137 WIXYFPXNXFIXIG-QMMMGPOBSA-N 323.395 2.370 10 10 DECE CCOc1ncccc1CNC(=O)C=Cc1ccc(O)c(O)c1 2307982247 VQPNXPQNLIRTPK-UHFFFAOYSA-N 314.341 2.221 10 10 DECE C[C@H](O)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319421120 RDGJCEZNURXKDB-DJLDLDEBSA-N 307.462 2.254 10 10 DECE CN(C)C(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 174472700 HHXDAPMJSHCHGG-UHFFFAOYSA-N 317.433 2.114 10 10 DECE Cc1cc(O)c(CN2CCN(Cc3nccn3C)CC2)cc1C 106063744 REJNTFWJQBHVGU-UHFFFAOYSA-N 314.433 2.060 10 10 DECE C[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)C1 38089885 DQOCLXZAFJDNTJ-STQMWFEESA-N 312.435 2.362 10 10 DECE COC(=O)Cn1ncc(N[C@H](C)c2cc(F)ccc2O)c1C 195159846 XDJXYDUNOCNTFN-SECBINFHSA-N 307.325 2.382 10 10 DECE CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 529681278 XGQBEBVIWWYCCQ-WIEQDCTASA-N 309.431 2.276 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 808514164 VZAHSRAFHDZVCO-MRVPVSSYSA-N 319.140 2.462 10 10 DECE CN1CC2(CN(Cc3ccc(N4CCCCC4)cc3)C2)OC1=O 817413918 LYOUOQFBJHWKRH-UHFFFAOYSA-N 315.417 2.313 10 10 DECE O=C(NCCCSc1nccs1)c1cn(CC2CC2)nn1 825822249 FNLYMDAKFACFAN-UHFFFAOYSA-N 323.447 2.057 10 10 DECE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H](C)N1CCOCC1 835038378 QICBKHAQRVBQOO-JOGGYFKDSA-N 317.477 2.465 10 10 DECE CC(=O)C(=O)COC(=O)Cc1cc(Br)ccc1C 838100163 HTFJFRCECISWMU-UHFFFAOYSA-N 313.147 2.001 10 10 DECE CN(C)CC1(C(=O)NCc2ccc(O)cc2O)CCCCC1 910949347 JUWHRGKNATZINI-UHFFFAOYSA-N 306.406 2.226 10 10 DECE C[C@@H](c1cscn1)N1C(=O)CN(Cc2ccccc2O)C1=O 849361041 ICIDDOUUGNWLIZ-JTQLQIEISA-N 317.370 2.374 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](C2CCC2)C1 840490011 DRAJOUPAUKJWLN-GMNBZTITSA-N 303.358 2.139 10 10 DECE COc1ccc(CNC(=O)C[C@@H](C)n2ccc(C)n2)c(O)c1 846949913 KKKUZIOMLWCIOV-GFCCVEGCSA-N 303.362 2.173 10 10 DECE C[C@@H](NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccc(F)cc1O 927039368 IXFKHSFJIGBQGB-NSNUZPRRSA-N 313.394 2.290 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CC3(F)F)C2)cc1 855223367 GUTUPHCJUQFZQG-IAQYHMDHSA-N 310.344 2.435 10 10 DECE CN(C)c1ccc(CNc2c3c(nc4ncnn24)CCC3)cc1 865414614 FUVZITQCIXTZHA-UHFFFAOYSA-N 308.389 2.291 10 10 DECE Cc1cc(CN2CCO[C@@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 863325031 QPCJHXFYLXPDFI-AWEZNQCLSA-N 320.433 2.074 10 10 DECE C[C@H](NC(=O)N[C@H](CCN)C(F)(F)F)c1ccccc1O 868167428 QIMDUZVDAMJJCR-GZMMTYOYSA-N 305.300 2.032 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCCCN=[N+]=[N-])[C@@H]2C1 1895875279 HUCBICJTTATOFP-SDDRHHMPSA-N 323.397 2.306 10 10 DECE CN(C)c1ccc(/C=C/CN2CCNC(=O)CC2(C)C)cc1 895399742 IXERFNXGVIBUBW-AATRIKPKSA-N 301.434 2.366 10 10 DECE COC(=O)c1c(CN(C)[C@H]2CCOC2)c2cc(F)ccc2n1C 894002940 YTHMAPKSYPZFJH-LBPRGKRZSA-N 320.364 2.325 10 10 DECE c1cc(N2CCCC2)ccc1CNCCCCN1CCOCC1 1177299452 RBIHUKDKOAONBJ-UHFFFAOYSA-N 317.477 2.489 10 10 DECE CCN1CC[C@@H](N(C)c2ccc(CO)cc2Br)C1 688457144 DFSVLURWOHGXFR-GFCCVEGCSA-N 313.239 2.472 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1Cc2c[nH]nc2C1 1450056404 PNTSGNONYBJTDU-UHFFFAOYSA-N 301.327 2.192 10 10 DECE C[C@H]1CC2(CCOCC2)CN1C(=O)Cc1ccc(O)c(O)c1 1299839546 WOKAYOMYPDLLLT-LBPRGKRZSA-N 305.374 2.058 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@H](O)c1ccc(Cl)cc1 1638352446 OGFIDVOKWAEOTI-CQSZACIVSA-N 307.733 2.101 10 10 DECE C[C@H]1COCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1640211077 SBXGSQGYGKDJHA-JQWIXIFHSA-N 304.350 2.251 10 10 DECE C[C@](O)(CC(=O)NCc1c(O)cccc1F)c1ccccc1 1652298582 MZDHANRSNSLKPG-KRWDZBQOSA-N 303.333 2.445 10 10 DECE C[C@@H]1SC(=S)N(CCCC(=O)NC2CCCC2)C1=O 11636160 JUTAINBLPMEQSS-VIFPVBQESA-N 300.449 2.074 10 10 DECE CCOCCN1CCN(Cc2cc(OC)c(C)cc2O)C[C@@H]1C 160211770 IKMPHYVQLSZSRV-HNNXBMFYSA-N 322.449 2.252 10 10 DECE Cn1cnc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1 1889839002 XRSRZGPXZNMZAB-HOCLYGCPSA-N 310.401 2.339 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1985103596 XUAXOAMJLRITJW-BMIGLBTASA-N 321.381 2.155 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Cl 2170261283 NVBQLIIMVGEBQJ-MNOVXSKESA-N 316.854 2.071 10 10 DECE CCN(c1ccc([C@H](C)N)cc1F)[C@H](C)CS(C)(=O)=O 2170402246 FNHFGSRWSLALGG-MNOVXSKESA-N 302.415 2.105 10 10 DECE Cc1cn(C)nc1CNCc1c(O)cccc1Br 723500474 BCAKGRGCMOBZCX-UHFFFAOYSA-N 310.195 2.486 10 10 DECE O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(O)c(O)c1 2064793525 RZLVQTAOQUVIML-UHFFFAOYSA-N 307.346 2.360 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)[C@@H]1CCCC[C@H]1F 2175532452 QWRJSZHDWKWTGO-TZMCWYRMSA-N 301.383 2.435 10 10 DECE C[C@]12C[C@@H]1CN(c1cc3c(cc1Br)[C@@H](O)C(=O)N3)C2 2096032809 TWVDEBPKRJSKAW-QVCNTJRGSA-N 323.190 2.281 10 10 DECE CCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)c(Cl)c1 2114069536 GWLMSTNDRGFDMJ-JTQLQIEISA-N 305.827 2.264 10 10 DECE CC(C)N[C@](CO)(CSc1nccs1)C1CCOCC1 2208095668 UHRPXJIQDDZVAC-CQSZACIVSA-N 316.492 2.391 10 10 DECE CCP1(=O)CCC(NCCCN=[N+]=[N-])(C(=O)OC)CC1 2283622427 VVSBRNSXSJDRLY-UHFFFAOYSA-N 302.315 2.365 10 10 DECE CC[C@H](CO)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2323805470 JNFASWKAVHQAHS-SNVBAGLBSA-N 309.412 2.364 10 10 DECE Cc1ccc(CN(C)c2nncn2C)c(O)c1Br 2327796008 ADASWSZKCLXKJB-UHFFFAOYSA-N 311.183 2.228 10 10 DECE CN1CC[C@H](N(C)c2ccc(CN)c(Br)c2F)C1 310813608 BLXRZPHJCRPQFD-JTQLQIEISA-N 316.218 2.187 10 10 DECE CS(=O)(=O)Nc1cccc(NCc2ccc(O)cc2O)c1 21060987 OHELLQGQPFYWRN-UHFFFAOYSA-N 308.359 2.081 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)NC2CCC(O)CC2)c1 171409095 BBZICLNRBPBATI-UNXYVOJBSA-N 308.378 2.065 10 10 DECE COc1cc(N2CCC(CCO)CC2)c([N+](=O)[O-])cc1OC 401030211 WKIIADASLOUFMM-UHFFFAOYSA-N 310.350 2.211 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)c1ccccc1 35309346 VIOYTVJYNVDXOE-LLVKDONJSA-N 304.371 2.070 10 10 DECE Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)c1 187076855 AYNAEHHTYUSWIU-GFCCVEGCSA-N 301.346 2.080 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)c1cn(-c2ccccc2)nn1 187190441 CFMMNNOQJLNEEZ-LLVKDONJSA-N 324.340 2.170 10 10 DECE COc1ccccc1S(=O)(=O)CCOc1ccc(N)cc1 41030904 CIUGFRJPHOLPKI-UHFFFAOYSA-N 307.371 2.130 10 10 DECE COc1ccc(O)c(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 245855580 NLCVOJLUEKINDK-ZMSDIMECSA-N 307.390 2.169 10 10 DECE C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 804969349 PKQCGJNLDADLND-DOMZBBRYSA-N 321.396 2.260 10 10 DECE C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc(N2CCCC2)cc1 817155083 TZJIDYCUIWKUFN-RHSMWYFYSA-N 317.433 2.342 10 10 DECE Cc1cc(NC(=O)N(C)Cc2ccccc2O)c(N(C)C)nn1 824541970 LTTQRDKMISSLHC-UHFFFAOYSA-N 315.377 2.221 10 10 DECE Fc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCOCC1 827596116 UUTOCURNXROKDX-CVEARBPZSA-N 320.408 2.131 10 10 DECE CCCN1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588406158 DIKGRCOLAIMLDF-XQRVVYSFSA-N 318.417 2.349 10 10 DECE C[C@@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccc(N(C)C)cc1 838558136 DOXNZOQINKMFBA-IVMMDQJWSA-N 305.422 2.274 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C(C)(C)C)n1 847696080 LHRKQBOZAUZRRV-LLVKDONJSA-N 317.389 2.410 10 10 DECE CCO[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)C[C@H]1CN 844907042 ZIEGWOGIBNXKHE-CRAIPNDOSA-N 323.456 2.468 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)CCC3)c1 843831544 QZIIMBZNEFMRDF-SNVBAGLBSA-N 301.346 2.035 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCC3(CCOCC3)O2)c1 922811065 MDIKGTNRIOUOBF-CQSZACIVSA-N 322.361 2.118 10 10 DECE COc1cc(CNC[C@@H](O)[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 858226321 MKUKTDBHBIUEFI-HZPDHXFCSA-N 323.433 2.328 10 10 DECE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)Cc2ccc(N)cc2)cn1 851645301 DLNUCUCMSUZWKC-RDJZCZTQSA-N 312.417 2.072 10 10 DECE COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1 753015794 FNQCUGYBDLMYSK-UHFFFAOYSA-N 315.297 2.480 10 10 DECE CC[C@@H](NC1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 866493808 AHGXKOUWXKYBIZ-QGZVFWFLSA-N 311.433 2.472 10 10 DECE CCOC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867836005 AJAJATXGTPQPDI-NEPJUHHUSA-N 301.408 2.045 10 10 DECE COC[C@@]1(C)CN(Cc2cc(Cl)c(F)cc2O)CCO1 862551222 KCOSJTGFAUHLSP-CQSZACIVSA-N 303.761 2.422 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]12CCC[C@H]1OCC2 867302859 UWZCECATJFITME-CXMBCZLWSA-N 305.374 2.104 10 10 DECE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)Nc2ccc(N)cc2)C1 1876149466 NEHVVTUXLZGSPG-RISCZKNCSA-N 305.378 2.274 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2ccc(F)cn2)cc1 1137298180 KBLQISACKSUELC-UHFFFAOYSA-N 301.281 2.313 10 10 DECE CCN(CC)c1ccc(CN2CC[C@H](NC(=O)OC)C2)cc1 895850069 AXBIFRRZYKBQKY-HNNXBMFYSA-N 305.422 2.463 10 10 DECE CO[C@H]1C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 899203138 ICNXQLLMBQGHNJ-CZMCAQCFSA-N 307.371 2.467 10 10 DECE COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1O 797819970 ZLYVDAWAYNRGSX-UHFFFAOYSA-N 321.354 2.404 10 10 DECE O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(O)cc1O 1142530936 VSIBBNQCPJUDCX-OAHLLOKOSA-N 313.309 2.016 10 10 DECE Cn1cc(Br)c(=NCc2cc(F)cc(F)c2O)[nH]1 1963355071 MQDABYWNHYKYTI-UHFFFAOYSA-N 318.121 2.200 10 10 DECE Cn1nc(-c2ccncc2)cc1C(=O)N1Cc2cccc(O)c2C1 1175038352 QOEDYBRQPPQIAO-UHFFFAOYSA-N 320.352 2.344 10 10 DECE C[C@H]1C[C@@H](O)CCN1c1ccc(CN)c(Br)c1F 705583254 HPVZOHBODOKUBT-WPRPVWTQSA-N 317.202 2.397 10 10 DECE CC[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1ccccc1 1177249865 FXCVRSMPSQGKID-DZGCQCFKSA-N 301.342 2.340 10 10 DECE C[C@H](CCNCc1c(O)cccc1Br)[S@](C)=O 706834327 WMJRVOWYHMPZDZ-XLFHBGCDSA-N 320.252 2.401 10 10 DECE OCCN[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 708599457 ZCNSXDRHYBKUDX-GFCCVEGCSA-N 319.232 2.245 10 10 DECE CN(Cc1cc(Cl)ccc1O)C1CC(S(C)(=O)=O)C1 716082594 MMCLGRANTQLUEM-UHFFFAOYSA-N 303.811 2.053 10 10 DECE Oc1cccc(Cl)c1CN1C[C@@H](O)CC2(CCOCC2)C1 1333735400 YTYJVHYSZPSJDK-LBPRGKRZSA-N 311.809 2.409 10 10 DECE CO[C@H]1COCC[C@@H]1Nc1c(N)cccc1Br 697472288 QXMXZHZGNXTWLE-QWRGUYRKSA-N 301.184 2.247 10 10 DECE CCCNCc1ccc(N2CC([S@@](C)=O)C2)c(Cl)c1 2115301582 BDQDCDGNAGLEDJ-LJQANCHMSA-N 300.855 2.407 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cnc(O)c2ccccc12 1299574523 RNPHNLKJEWFTGA-UHFFFAOYSA-N 310.309 2.282 10 10 DECE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(F)c1 1620508929 FZRMMBPEOOXVHD-NSHDSACASA-N 319.332 2.363 10 10 DECE Cc1cc(C(=O)N2CCn3nccc3C2)c(C)n1-c1ccccn1 1629917189 OWOQOVPBMGGWEU-UHFFFAOYSA-N 321.384 2.342 10 10 DECE COCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 1638664944 KIKUZHSATLBGHS-UHFFFAOYSA-N 319.342 2.365 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC=C(c2cccnc2)C1 1640206738 RVALROLMLVXJHU-UHFFFAOYSA-N 310.353 2.351 10 10 DECE CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(Cl)cc1O 1621182417 DEASOUASCIRUTR-JTQLQIEISA-N 305.827 2.301 10 10 DECE O=C(Cn1ccc(C(F)F)n1)NCc1cccc(Cl)c1O 1653566901 FLOXSZKZGQQOJD-UHFFFAOYSA-N 315.707 2.496 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)NCCN=[N+]=[N-] 1965101714 GSVYRERCLAMWFI-NOOOWODRSA-N 323.397 2.352 10 10 DECE CN[C@H](c1ccccc1O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1936975039 MOHOLFOWSHANJM-DZGCQCFKSA-N 322.405 2.289 10 10 DECE CN(CC(C)(C)CO)c1ccc(CO)cc1Br 1945722375 FQIRDWJKNDLPSB-UHFFFAOYSA-N 302.212 2.396 10 10 DECE CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H]1c1ccc(N)cc1O 1953032443 ZMOGAHSFVBPVFG-GXTWGEPZSA-N 307.394 2.244 10 10 DECE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2ccc(N)cc2)C1 1977671445 VXMYQCPGSLKTIZ-HNNXBMFYSA-N 320.437 2.232 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2030273102 PJFDGUBALUKUCT-KMLBCRHOSA-N 312.207 2.177 10 10 DECE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CNC)cc1Cl 2170532592 HFNCRKCCGWTXJH-NSHDSACASA-N 318.870 2.319 10 10 DECE Cn1cc(COC(=O)Cc2ccc(N)cc2)c(Br)n1 713808096 OUOXPCDXYOWNQW-UHFFFAOYSA-N 324.178 2.051 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1cnns1 715793482 VYYYZSULZKGBQN-UHFFFAOYSA-N 318.171 2.435 10 10 DECE [N-]=[N+]=NCC1(CNS(=O)(=O)C[C@H]2C[C@@H]2C(F)(F)F)CC1 2174354404 GXVFNQRAXVBSDH-SFYZADRCSA-N 312.317 2.195 10 10 DECE Nc1ccc(OCCNc2cnc(Br)cn2)cc1 2044044959 SMACKJOWIIEFDC-UHFFFAOYSA-N 309.167 2.312 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@H]2CCN[C@H]2C1 2068580156 ZENVPKNKIDYYBF-PELKAZGASA-N 315.186 2.088 10 10 DECE C[C@H](CCS(C)(=O)=O)N(C)Cc1cccc(Cl)c1O 2104456306 NZIDSEUKGJOKPM-SNVBAGLBSA-N 305.827 2.301 10 10 DECE CCN[C@@](CSc1nccs1)(C(=O)O)C1CCOCC1 2208172082 QNHOUHJDPDZIMN-CYBMUJFWSA-N 316.448 2.095 10 10 DECE COCCNCc1cnc(SC[C@H]2CC[C@@H]2OC)s1 2230524085 OBUHKBOFTZSCMU-PWSUYJOCSA-N 302.465 2.396 10 10 DECE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)cc1 2296425859 GPIKYSGLIOACCP-UHFFFAOYSA-N 323.352 2.254 10 10 DECE O=C1Nc2cc(N3C[C@H]4C=C[C@@H]3C4)c(Br)cc2[C@H]1O 2329320473 ZQNYTPQAEWRRGG-HHURGBBESA-N 321.174 2.199 10 10 DECE CC(C)S(=O)(=O)N(C)Nc1nc2ccc(F)cc2s1 2339736285 WMARCDDVCDOTAM-UHFFFAOYSA-N 303.384 2.432 10 10 DECE CCCn1nc(Br)nc1C(=O)Cc1ccc(N)cc1 2353723708 FKQKKXXOWATWFT-UHFFFAOYSA-N 323.194 2.458 10 10 DECE COc1ccc(N2CCN(C[C@@](C)(O)C(C)C)CC2)cc1F 187147707 DNHFIINOYZQWEB-QGZVFWFLSA-N 310.413 2.363 10 10 DECE COc1ccc(CN2CCO[C@@H](c3nccs3)C2)c(O)c1 92831970 YNVDNBJSGBOJKF-CQSZACIVSA-N 306.387 2.431 10 10 DECE Nc1ccc(N(C(=O)NCCCNC=O)c2ccccc2)cc1 244532956 ZUDCGDXYRDLXHV-UHFFFAOYSA-N 312.373 2.253 10 10 DECE C[C@@H]1CCOCCN1C(=O)NCc1ccc2c(c1)CCCN2C 364054842 HTZLJASDJPJQAP-CQSZACIVSA-N 317.433 2.389 10 10 DECE C[C@@H](NCc1cnn(C)n1)c1ccc(Br)cc1O 806166717 VHEUORXLZIAUHM-MRVPVSSYSA-N 311.183 2.134 10 10 DECE Cc1cc(C(=O)NCc2cc(Br)ccc2O)no1 804734775 ZDPSPFZLMJCIHI-UHFFFAOYSA-N 311.135 2.381 10 10 DECE CN(C)c1ccc([C@@H](N)c2ccsc2S(C)(=O)=O)cc1 2163071390 OFDDUUBDLQVFGV-CYBMUJFWSA-N 310.444 2.266 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(=O)OC 801549327 KNRAYAWQMFNPGU-UONOGXRCSA-N 305.374 2.330 10 10 DECE Cn1nc2c(c1CNCc1cc3c(cc1O)OCO3)CCCC2 812773236 AZIMWBANERJZLM-UHFFFAOYSA-N 315.373 2.023 10 10 DECE O[C@@H](CNCc1ccc(N2CCSCC2)cc1)C(F)(F)F 818964118 LHCOCMWVDHZQKG-ZDUSSCGKSA-N 320.380 2.253 10 10 DECE CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 816029115 VWQOZUNQJHWRRV-NORZTCDRSA-N 307.390 2.350 10 10 DECE CC(C)CC[C@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1 588406750 JFXDLAKLUBTZQM-WVRJYTFGSA-N 307.390 2.414 10 10 DECE O=C1O[C@@H](CNCc2cc(Cl)cc(F)c2O)CN1C1CC1 848928803 OALOLVYNCWJZGP-NSHDSACASA-N 314.744 2.258 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C 924760116 OHPIZVCRJBFBLI-ZRGWGRIASA-N 318.461 2.408 10 10 DECE CC(C)(C)OC(=O)Cn1ccc(NC(=O)c2cc(O)cs2)n1 856438063 GPYSNWBDJLZJAM-UHFFFAOYSA-N 323.374 2.244 10 10 DECE C[C@@H]1[C@@H](Nc2c(N)cccc2Br)CCS1(=O)=O 697484603 JCHAWBAPTZTVQD-XCBNKYQSSA-N 319.224 2.019 10 10 DECE COc1ccc(N2CC[C@H](NCc3cc4n(n3)CCC4)C2)cc1 850347672 VSWUCRKOMQWZAA-AWEZNQCLSA-N 312.417 2.206 10 10 DECE COC(=O)c1cc(OCCOCC(F)(F)F)ccc1N(C)C 865396623 WSQQDJQJDKTOBQ-UHFFFAOYSA-N 321.295 2.497 10 10 DECE Oc1ccc(F)cc1CNC[C@H](O)C(F)(F)C(F)(F)F 895677837 PKOFTZPIXPDHIG-VIFPVBQESA-N 303.202 2.179 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1CCCn2ncnc21 1883184654 OEZXWZUKRYFBJR-LLVKDONJSA-N 323.194 2.371 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCC[C@H]1O 1154026799 OADMONYECMAIPB-KWCYVHTRSA-N 307.390 2.086 10 10 DECE O=C1Nc2cc(N3CCNCC3)ccc2OC12CCCCC2 74536785 MDZZZYIRVDLUPM-UHFFFAOYSA-N 301.390 2.130 10 10 DECE C[C@H](c1ccc(F)cc1O)N(C)C[C@H]1CCCS1(=O)=O 694395104 CAZBXCBMHBNTHM-ZYHUDNBSSA-N 301.383 2.101 10 10 DECE Cc1noc(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl 85205156 XAPFZHUUJWSMDZ-UHFFFAOYSA-N 302.739 2.451 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@](O)(C2CC2)C1 1350716974 JJBRUQXQOOQNJS-INIZCTEOSA-N 319.382 2.300 10 10 DECE O=C(CCN1C(=O)CSC1=S)Nc1ccc(F)c(F)c1 1865768729 QASZMQLXPDVEKG-UHFFFAOYSA-N 316.354 2.154 10 10 DECE CC1(C)OCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1453817460 GNPANZVJUZTBJQ-NSHDSACASA-N 304.350 2.394 10 10 DECE CN1CCCc2cc(CNc3nn(C)cc3[N+](=O)[O-])ccc21 1458132578 PFBGQLGIAOVBEQ-UHFFFAOYSA-N 301.350 2.323 10 10 DECE CCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1CC 1466791026 OWHANBYWMDSVGT-NSHDSACASA-N 317.389 2.238 10 10 DECE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCO1 1732759588 FFKXVQMGYBPRIF-QGZVFWFLSA-N 320.433 2.121 10 10 DECE CC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1C 1643104139 NFGJCZUWZDSYPZ-UHFFFAOYSA-N 314.341 2.295 10 10 DECE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1cc(O)cs1 1641317665 IEIGQJRRLFBOLA-ZPPKWKGLSA-N 309.387 2.400 10 10 DECE Cc1cnc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCC2)[nH]1 1650880012 IBTHSKHKFCXULK-XQRVVYSFSA-N 313.357 2.338 10 10 DECE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCN=[N+]=[N-])CC12CCC2 1965102369 ONYPPDBNKYUJTM-HNNXBMFYSA-N 323.397 2.498 10 10 DECE COc1ccc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1 5526888 QBRJOSAINDJQEA-UHFFFAOYSA-N 309.325 2.175 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cnn(C)c1 158928143 LKQXJJYRPXVBSD-NSHDSACASA-N 323.356 2.475 10 10 DECE CC(C)CNCc1ccc(N2CCO[C@H](CO)C2)c(Cl)c1 167289836 QORQASNDSUHJMY-AWEZNQCLSA-N 312.841 2.283 10 10 DECE Cn1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)nn1 1866162309 VHHDJMYXYHLBKG-UHFFFAOYSA-N 309.329 2.442 10 10 DECE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCOC1 1889598876 RZTGCAHVDBTFBW-UXLLHSPISA-N 300.402 2.328 10 10 DECE CC(=O)C(=O)[C@@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1919255143 JCYLLDOLRGYIBY-INIZCTEOSA-N 307.346 2.399 10 10 DECE CN1CCc2cc([C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc21 1951369553 AIDCKSLYPKMORR-ZDUSSCGKSA-N 306.362 2.329 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CC=CCO)Cc1ccc(O)c(O)c1 1951944289 YVMFDLJNQXZDQH-ZDUSSCGKSA-N 323.389 2.472 10 10 DECE O=C1Nc2cc(N3CCS[C@@H]4CC[C@H]43)c(Cl)cc2[C@@H]1O 2152206532 MALIGRNZSXKSHO-RTXFEEFZSA-N 310.806 2.410 10 10 DECE C[C@H]1C[S@](=O)CCN1c1ccc(CO)c(C(F)(F)F)c1 2171963162 JASHEJRKKSIXPJ-GWNMQOMSSA-N 307.337 2.155 10 10 DECE CN(CC[S@@](C)=O)Cc1cc(Br)cc(F)c1O 715796282 PDIDYYLHWLKKTB-QGZVFWFLSA-N 324.215 2.104 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 384114185 KGVCAODVJTXVLT-CRAIPNDOSA-N 323.396 2.434 10 10 DECE CN(Cc1cnns1)c1ccc(CN)c(Br)c1 400074034 WPSXQZKCHYTSTF-UHFFFAOYSA-N 313.224 2.396 10 10 DECE COCCN(c1c(F)cc(CN)cc1F)[C@H]1CCSC1 2170129034 IOSIRBQAEAEJEL-NSHDSACASA-N 302.390 2.382 10 10 DECE C[C@@H](c1cc(F)ccc1O)N1CCS(=O)(=O)C(C)(C)C1 2170453198 RUCMUHLPTHZXBH-JTQLQIEISA-N 301.383 2.101 10 10 DECE CN(C)CCC1CN(c2ccc(CN)cc2Br)C1 2056592821 WEYWKMSWIFTQOK-UHFFFAOYSA-N 312.255 2.296 10 10 DECE CNCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]32)cc1Br 2057964464 ANPQAIWQWLJGGH-YUTCNCBUSA-N 311.223 2.128 10 10 DECE CN[C@@H](C)c1cc(F)c(N2CCSC[C@H]2CO)c(F)c1 2194691879 VYWRSCWFZHBMRL-GXSJLCMTSA-N 302.390 2.159 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)c(Br)c1 2078268536 UNNAIBJRCHHHKS-JMLLCIOISA-N 311.223 2.286 10 10 DECE COc1ccc(N(C)C2(CO)CC2)c(OC)c1Br 2219391411 HXSKUFWXDUHYEJ-UHFFFAOYSA-N 316.195 2.427 10 10 DECE C[C@H]1CN(c2ccc(CN)cc2Br)[C@H](C)CN1C 2222182327 PQEWRWZWLCHNGI-WDEREUQCSA-N 312.255 2.437 10 10 DECE CSCCC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2233931417 OIZKUILAERJDKI-UHFFFAOYSA-N 314.476 2.220 10 10 DECE CN(Cc1cc(Br)c(O)cc1O)C(C)(C)CN 2248029250 WWUPZYGZFFXPTD-UHFFFAOYSA-N 303.200 2.029 10 10 DECE O=C(O)[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 2279197164 PTTGBJOYGBQJIK-KOLCDFICSA-N 320.172 2.109 10 10 DECE CN(Cc1ccccc1O)C(=O)C=Cc1ccc(C(N)=O)cc1 2301491076 FUPNZFMWTJEPDG-UHFFFAOYSA-N 310.353 2.163 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O 2310041528 VGOROTJCMQMVPI-DJIHRAIXSA-N 312.207 2.404 10 10 DECE CCCN[C@H]1C[C@@H](OC)[C@H](OC)[C@@H]1Sc1nccs1 2329813001 LASXTRLBAFRTPG-WHOHXGKFSA-N 302.465 2.406 10 10 DECE COC(=O)[C@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 177862867 UDDNAQCOMPUHAM-CYBMUJFWSA-N 304.390 2.102 10 10 DECE Cc1cnn(C[C@@H]2CN(Cc3cccc(C)c3O)CCO2)c1 180129323 QYQLVLYSIXARFJ-INIZCTEOSA-N 301.390 2.107 10 10 DECE C[C@H]1CC(NS(=O)(=O)Cc2ccc(N)cc2)C[C@H](C)S1 2365734466 PZTLOOKZUJVRMF-QWRGUYRKSA-N 314.476 2.361 10 10 DECE CSC[C@H](C)N(C)C(=O)c1ccn(-c2ccc(N)cc2)n1 123683279 HKOOLRRCMWKLEE-NSHDSACASA-N 304.419 2.278 10 10 DECE C[C@@H]1CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 221241726 SBSWTIRUESIZDG-JMCQJSRRSA-N 310.195 2.247 10 10 DECE NCc1cc(F)c(N2CCC[C@@H](O)C2)cc1Br 379968016 GFUMGLLYJXVPPN-SECBINFHSA-N 303.175 2.008 10 10 DECE CN(C(=O)C[S@](=O)c1ccc(F)cc1)c1ccc(N)cc1 40962301 VDPLQTCZOKLDRG-OAQYLSRUSA-N 306.362 2.179 10 10 DECE C[C@H]1CC[C@H](C)N(S(=O)(=O)CCOc2ccc(N)cc2)C1 88702833 XTQHVAHGWFWTJD-STQMWFEESA-N 312.435 2.098 10 10 DECE COc1ccnc(CSc2ncc(C(=N)N)s2)c1OC 2370387400 SPYBEMADXWAFJH-UHFFFAOYSA-N 310.404 2.132 10 10 DECE CN(Cc1cc(F)ccc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245932188 IKLAIDYFPZOGCS-UKRRQHHQSA-N 315.410 2.319 10 10 DECE CCN1CCC(CCNC(=O)c2c(F)ccc(O)c2O)CC1 277764593 SMBITWGKMRILGO-UHFFFAOYSA-N 310.369 2.089 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 808507022 YXKZZFRGFUHNDU-MRVPVSSYSA-N 319.140 2.462 10 10 DECE CC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cccc(Cl)c1O 818362302 UUGYTOVRYNCMTD-NEPJUHHUSA-N 310.781 2.234 10 10 DECE COC(=O)c1cnc(SC[C@@H](O)CC2(O)CCCC2)s1 905958754 QSRWPAWCKXLVHA-VIFPVBQESA-N 317.432 2.078 10 10 DECE C[C@@]1(O)CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 844208670 FRCYUKCJOXDWHX-DQOPKJQZSA-N 320.345 2.434 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@H]1CC2(CCC2)CO1 924043720 VBNPIVYVQYPFCK-LLVKDONJSA-N 308.353 2.290 10 10 DECE COC[C@@H](C)OC(=O)N(C)CCN(C)c1ccc(OC)cc1 867460183 KWORFPPVWNJRQW-CYBMUJFWSA-N 310.394 2.235 10 10 DECE CCCOc1ccc(CN[C@@H](C)c2nnc(O)n2C)cc1C 895170736 LDOJTINNEXNPLM-LBPRGKRZSA-N 304.394 2.469 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CN2CCC1CC2 48794869 YOUGJQUEMNXRSK-CYBMUJFWSA-N 311.223 2.339 10 10 DECE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccncc3)C2=O)cc1 1084494315 FBLFCIHMLOAKHC-UVTDQMKNSA-N 307.309 2.056 10 10 DECE Cc1cccc(COCC(=O)NCc2ccc(O)cc2O)c1 1162277665 ATJJPIYMKXVFSN-UHFFFAOYSA-N 301.342 2.239 10 10 DECE c1cncc(CNC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)c1 76439898 QHPJQJZAZGGHAF-HNNXBMFYSA-N 311.385 2.426 10 10 DECE C[C@H]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CS1(=O)=O 1327211168 XEGZQRHIXMZNCL-GOEBONIOSA-N 322.474 2.342 10 10 DECE C[C@]1(CN)CCN(Cc2cc(Br)cc(F)c2O)C1 715766565 VZHPDJIHDIROCJ-CYBMUJFWSA-N 317.202 2.465 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccnc(O)c21 1454233653 OUKACYYWLVCDHD-XQRVVYSFSA-N 312.325 2.191 10 10 DECE C[C@]1(C(=O)NCc2cccc(O)c2O)OCCc2ccccc21 1528770695 CVBVTGYDKZAULC-SFHVURJKSA-N 313.353 2.202 10 10 DECE O=C(NC[C@H]1CSc2ccccc2O1)c1cccc(O)c1O 1299899342 BMOZDTDNTLBVBN-JTQLQIEISA-N 317.366 2.381 10 10 DECE O=C(NCc1cc(Cl)cc(Cl)c1O)c1n[nH]cc1F 1468670085 WEPNFFMTECIZFB-UHFFFAOYSA-N 304.108 2.491 10 10 DECE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2cnco2)cc1C 1715350930 KHYNZQOBMOFGKG-CYBMUJFWSA-N 317.389 2.242 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CC2(F)F)cc1C 1569056430 XRTXEQUNJJEEPM-WCQYABFASA-N 312.360 2.253 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cccc([N+](=O)[O-])c2O)c1 1641733443 WFBRRVMHQLHGCO-UHFFFAOYSA-N 302.286 2.244 10 10 DECE C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CN2CCC1CC2 1640233711 KSTKQBAGNXZPMO-INIZCTEOSA-N 315.377 2.063 10 10 DECE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1c1cnccn1 1655144678 BQRIKMVFEAHECC-OAHLLOKOSA-N 311.433 2.253 10 10 DECE COCCNCc1ccc(N(C)[C@@H](C)CCO)c(Cl)c1 1916981278 ZDAUSSYRMVPBKA-LBPRGKRZSA-N 300.830 2.283 10 10 DECE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)c1ccccc1O 1920308046 MKJZVPQDLAWVLI-KCPJHIHWSA-N 324.421 2.304 10 10 DECE C[C@@H](O)c1ccc(N2CC([S@@](C)=O)C2)cc1Br 2004516657 UOHYDYXZTPOOFG-CQLKUDPESA-N 318.236 2.070 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Cl 2143667827 KWFLDFIBYOASHY-GHMZBOCLSA-N 316.854 2.231 10 10 DECE CC1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)COC1 2033809511 MWBYLPWZZQVULC-UHFFFAOYSA-N 321.332 2.437 10 10 DECE CCN[C@@H](C)c1ccc(N(C)C[C@H](O)COC)cc1Cl 78906230 ULMDYFOYGQNZOB-AAEUAGOBSA-N 300.830 2.454 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]3Cc3ccccc3)c2n1 2064930424 POLDWWQMAUMNMA-AWEZNQCLSA-N 322.368 2.201 10 10 DECE CCNC(=O)c1cn([C@H](C)c2cc(C)c(C)cc2O)nc1O 2070632794 KZDLHPVPQHZOGB-LLVKDONJSA-N 303.362 2.270 10 10 DECE CNCc1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Cl)c1 2167831585 QOQSZFWUZPWVLZ-UHFFFAOYSA-N 316.854 2.073 10 10 DECE CO[C@@H]1COC[C@@H]1N(C)Cc1c(O)cccc1Br 2057168017 CLXUQLVQHWHFFQ-WCQYABFASA-N 316.195 2.000 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H](C3)[C@@H]2CO)c(Br)c1 2058372045 AKDIMAJRSANDBU-MJVIPROJSA-N 311.223 2.257 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]2CO)c(Br)c1 2078297385 HJITWEPHGRPDCT-GEEFMHANSA-N 312.207 2.319 10 10 DECE CC1([C@H]2CCCCN2CCOc2ccc(N)cc2)OCCO1 2089560289 AFAXOQANNAZVJJ-MRXNPFEDSA-N 306.406 2.265 10 10 DECE COc1ccc(Br)c(CN2C[C@H]3C[C@H]2CO3)c1O 2220477424 BLLQMYCWNWOVGA-DTWKUNHWSA-N 314.179 2.136 10 10 DECE CNCc1ccc(N2CCC23CN(C)C3)cc1Br 2222712776 OUJCCNDLFZNMHL-UHFFFAOYSA-N 310.239 2.063 10 10 DECE NC[C@@H]1CC(F)(F)CN1Cc1ccc(Br)cc1O 2264252183 IMRAZJBHDDBFGU-JTQLQIEISA-N 321.165 2.323 10 10 DECE CSc1ncc(CNC(=O)NC(C)(C)/C=C/C(=O)O)s1 2284503937 IAXXMVMTQHISSB-SNAWJCMRSA-N 315.420 2.084 10 10 DECE CN(CC1(O)CC1)c1ccc(CN)c(Br)c1F 2301919759 TVQWAKJIDOXUSD-UHFFFAOYSA-N 303.175 2.008 10 10 DECE Cc1ccc(CN[C@H](CO)C2CC2)c(O)c1Br 2307478109 TVXVCZNNRRVHKK-LLVKDONJSA-N 300.196 2.324 10 10 DECE COc1cnc(CNCc2cccc(Br)c2O)nc1 2352409772 JUGXRZKMUJSVII-UHFFFAOYSA-N 324.178 2.243 10 10 DECE Cc1oc(C(=O)O)cc1COc1ccc(S(C)(=O)=O)cc1 51361109 DDNBFVBNPUTIKI-UHFFFAOYSA-N 310.327 2.269 10 10 DECE NCc1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(Br)c1 123179330 WVPBSKCQOFRBBQ-WDMOLILDSA-N 311.223 2.115 10 10 DECE O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 70329977 OWEVSABFIGVOPT-UHFFFAOYSA-N 312.278 2.240 10 10 DECE CC(C)c1noc(CCCNC(=O)Cc2ccc(N)cc2)n1 236668260 VZGATJRLCDUSJK-UHFFFAOYSA-N 302.378 2.067 10 10 DECE C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1 248441958 AJOOIOQTQXLBJU-SOHPYSCWSA-N 324.490 2.065 10 10 DECE Cc1c(/C=C\C(=O)N2CCOc3ccc(F)cc32)cnn1C 255624939 NZMKKJNOXBNOBK-UTCJRWHESA-N 301.321 2.306 10 10 DECE COc1ccc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 369461822 FNAJQHGAOYJYRA-MRXNPFEDSA-N 300.358 2.449 10 10 DECE C[C@@H](NC[C@H]1CCc2nccn2C1)c1cc([N+](=O)[O-])ccc1O 278856968 ARVVCTDWJSOHDQ-VXGBXAGGSA-N 316.361 2.410 10 10 DECE Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccccn1 814143680 AVPHCASZTSPLFZ-DOTOQJQBSA-N 324.428 2.265 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H](C3OCCO3)C1)CCC2 738149390 QAIKKHIEWYWDLE-HNNXBMFYSA-N 303.402 2.466 10 10 DECE C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 835052491 DOFOWQJFWRHJIF-GEXIGZQTSA-N 322.474 2.321 10 10 DECE Cn1cc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 733970573 ZRGFSFAJNALKHM-AWFCHZOYSA-N 312.373 2.041 10 10 DECE COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2O)cc1 748346656 RHOGUNIPAYILHQ-LBPRGKRZSA-N 301.342 2.485 10 10 DECE Cc1cc(CN2CCN(c3ncns3)CC2)ccc1N(C)C 852126870 IYNXSFJECPRWPX-UHFFFAOYSA-N 317.462 2.235 10 10 DECE CC(C)[C@H](N)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 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2.481 10 10 DECE Oc1ccc(Br)cc1CN1CC[C@@H]2CNC[C@@H]2C1 394037369 AUGWLNJCYOICNJ-ZYHUDNBSSA-N 311.223 2.196 10 10 DECE C[C@H](NC(=O)N1CC[C@]12CCOC2)c1ccc(N(C)C)cc1 1325814410 LSKYJNUZZYWHQN-SUMWQHHRSA-N 303.406 2.388 10 10 DECE COCCOc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1176747965 GOJZZVCAQFEKLA-UHFFFAOYSA-N 317.341 2.053 10 10 DECE Cc1ccc(O)c(CNS(=O)(=O)c2ccc(N(C)C)cc2)c1 1331362869 GUKFOAMKGGVJJB-UHFFFAOYSA-N 320.414 2.245 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2cccnn2)cc1F 1261840239 BOCSLWTVUYKBKU-UHFFFAOYSA-N 302.353 2.392 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccoc1Br 1455354619 PPUWOXUMEWOYAJ-UHFFFAOYSA-N 312.119 2.383 10 10 DECE Cn1cnc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)c1 1530517543 WPBMFXSCHBZRLS-NSCUHMNNSA-N 305.284 2.137 10 10 DECE CCO/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1603555409 PWDBKKZUDZOOAY-YUQCYMQKSA-N 305.422 2.022 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)c2cocn2)cc1C 1700322221 FNFGTQDXYBRFII-ZDUSSCGKSA-N 317.389 2.290 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccnc(-c2ccccc2)n1 1630273893 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2.242 10 10 DECE Cc1ccc(CNCC2[C@H]3COC[C@H]23)c(O)c1Br 2327611229 AWFKDMLSHRBCAN-VXGBXAGGSA-N 312.207 2.445 10 10 DECE COc1cnc(CNCc2ccc(Br)cc2O)nc1 2352414710 XLNCQWUPUUXQHY-UHFFFAOYSA-N 324.178 2.243 10 10 DECE Cc1cc(C(=O)CN2CC[C@@H](O)C2)c(C)n1-c1cccc(F)c1 114723478 BQOZESMYZLJBMH-MRXNPFEDSA-N 316.376 2.483 10 10 DECE Cn1cc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cn1 181039769 LZBLNTATQHVCGZ-HZRUHFOJSA-N 313.357 2.208 10 10 DECE CNCc1ccc(OC)c(CSc2nc(C)cc(=O)[nH]2)c1 81881437 RUACESYQUVOPML-UHFFFAOYSA-N 305.403 2.099 10 10 DECE COc1cc(Cl)cc(CNCC2(C)OCCCO2)c1O 190839520 KDASLNKDJAOEKB-UHFFFAOYSA-N 301.770 2.297 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccccc1Br 90260282 COZYAUQJLIAPER-JTQLQIEISA-N 312.171 2.266 10 10 DECE CN1CCCc2cc(CN[C@H]3CCC[C@H]3S(C)(=O)=O)ccc21 245985046 BXUDVCVEDPIXQD-DOTOQJQBSA-N 322.474 2.124 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(Cl)c1 250897580 KJHZVTZDIZBGEL-OSMZGAPFSA-N 307.825 2.465 10 10 DECE Cc1cc(Cl)cc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1O 359991105 DFKXMUFIDUOLRH-SNVBAGLBSA-N 322.796 2.056 10 10 DECE O=C1COc2cc([N+](=O)[O-])c(N3[C@H]4CCC[C@H]3CC4)cc2N1 366191599 LJZGTKJRNNISKI-UWVGGRQHSA-N 303.318 2.447 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(F)(F)F)CC1 2164680602 YICUUDCGICCCDG-IONNQARKSA-N 312.317 2.289 10 10 DECE COc1ccc(O)c(CNC(=O)C[C@@H](O)Cc2ccccc2)c1 813488835 GRTHWSIVMQLBSW-HNNXBMFYSA-N 315.369 2.011 10 10 DECE CC[C@@H]1Oc2cccc(N)c2N(OCc2ccc(N)cc2)C1=O 821297444 NQAFBIAEQBEMLP-AWEZNQCLSA-N 313.357 2.487 10 10 DECE C[C@H]1CN(C(=N)NCc2ccc(N3CCCC3)cc2)CCO1 848993167 CMGCWWZJCJPRHZ-AWEZNQCLSA-N 302.422 2.032 10 10 DECE O=C(CNC(=O)CC1CCCCC1)NCc1c(O)cccc1F 928712855 ZODYQDPMWZMIQX-UHFFFAOYSA-N 322.380 2.234 10 10 DECE COC(=O)c1coc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 759957866 GYNCGBQTGZYYPS-SECBINFHSA-N 319.313 2.271 10 10 DECE Cc1ccc(C(=O)N[C@@H]2COc3cccc(C)c3C2)c(O)c1O 862533222 OXNXASMEYNJOQG-LBPRGKRZSA-N 313.353 2.448 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O 775097977 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DECE CC(C)(C)OC(=O)Nc1ccc(O)c(CN2CCNCC2)c1 1535926582 FANBDZFSQAYCEW-UHFFFAOYSA-N 307.394 2.144 10 10 DECE C[C@H](NC(=O)c1cnn(-c2cccnc2)c1)c1ccccc1O 1632255797 WBDDMQZOYZHCGK-LBPRGKRZSA-N 308.341 2.464 10 10 DECE Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1[N+](=O)[O-] 1637200445 KVFSZDKNEUHYFW-QHHAFSJGSA-N 315.285 2.240 10 10 DECE CO[C@](C)(C(=O)NCc1ccc(O)cc1O)c1ccccc1 1638351656 AESLUCAWPKWGCP-KRWDZBQOSA-N 301.342 2.276 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 1641258974 RWRQCCZSSYKGIU-MRVPVSSYSA-N 321.304 2.442 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@@H](n2ccnn2)C1 2127676333 SPJUATKVHYWQET-PHIMTYICSA-N 323.194 2.240 10 10 DECE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1888178154 YOUJPHLXTCUIBV-IUCAKERBSA-N 303.338 2.054 10 10 DECE NC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 1117525294 IRAJJFWAKBNTDK-UHFFFAOYSA-N 322.162 2.261 10 10 DECE Cc1c(C(=O)NCc2ccc(N)cc2)c(Br)nn1C 2131595849 BUVRIVXLZRGJTF-UHFFFAOYSA-N 323.194 2.003 10 10 DECE CN(C)[C@@H]1COC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 1924630763 UNBBOSPFUHIKJW-ZWNOBZJWSA-N 319.232 2.365 10 10 DECE CC1(C)CN(c2ccc(CO)cc2Br)[C@@H]1CO 1944094276 JGSIATIPKZYNFM-GFCCVEGCSA-N 300.196 2.149 10 10 DECE CC(C)(C)OC(=O)N1CC(C2CC(C(=O)NCCN=[N+]=[N-])C2)C1 1971514889 UWNVMZWGWOFZBN-UHFFFAOYSA-N 323.397 2.306 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NCc1ccc(O)cc1O 1975305451 BLKNMJFMJXWXLY-WCQYABFASA-N 308.378 2.101 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1985095261 BQDPDAMLVDCCEM-NEPJUHHUSA-N 323.397 2.402 10 10 DECE CCc1nc(CNCc2cc(Br)ccc2O)n[nH]1 294661990 ALOCNPCTRVOICG-UHFFFAOYSA-N 311.183 2.125 10 10 DECE CC1(C)CN(c2ccc(CN)c(Br)c2F)[C@@H]1CO 2031687493 XJLPFUHFDNEWJQ-SNVBAGLBSA-N 317.202 2.254 10 10 DECE C[C@@H](N=c1cc(Br)n(C)[nH]1)c1c(O)cccc1O 2038250976 OMXYAQNWSJSXKW-SSDOTTSWSA-N 312.167 2.189 10 10 DECE C[C@H]1[C@H](C)S(=O)(=O)CCN1[C@H](C)c1ccc(F)cc1O 2170447005 SCHHYRKDZFOTEB-AXFHLTTASA-N 301.383 2.100 10 10 DECE C[C@@H]1CC[C@@H](O)CN1c1ccc(CN)c(Br)c1F 399339751 RTGMXRKHPYEZHA-PSASIEDQSA-N 317.202 2.397 10 10 DECE COCCN(c1cc(Cl)c(CN)cc1F)[C@@H](C)COC 2177377840 OYASAOHGJCNXBQ-JTQLQIEISA-N 304.793 2.426 10 10 DECE CNCc1ccc(N2CCN(C)[C@H]3C[C@@H]32)c(Br)c1 2049383590 FQYLUOJIZCMTPS-KBPBESRZSA-N 310.239 2.061 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@@]3(CO)C2)cc1Br 2078145199 WMSUUEJXXYMUHA-FZMZJTMJSA-N 311.223 2.117 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC(Cl)=C(Cl)C2)cc1 2097299055 IOIYBKILPSCMHH-UHFFFAOYSA-N 321.229 2.494 10 10 DECE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CO)cc1Cl 2114144824 HVFJQXIESLSNTL-JTQLQIEISA-N 305.827 2.092 10 10 DECE COc1ccc(N(C)CCCO)c(OC)c1Br 2214056579 XJUJNPISDVCVLX-UHFFFAOYSA-N 304.184 2.285 10 10 DECE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2293438606 BWMXWQYIHRPZIZ-SNVBAGLBSA-N 310.400 2.325 10 10 DECE COc1cc(C=C2SC(=S)NC2=O)ccc1OC(C)=O 2296735445 KQKDLRDWGVKCGW-UHFFFAOYSA-N 309.368 2.109 10 10 DECE O=C(C=Cc1ccnc(Cl)c1)NCc1ccc(O)c(O)c1 2307787334 SYWFLQWNOWQBJE-UHFFFAOYSA-N 304.733 2.476 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cn1 2308009370 WSEQCHDSONLFCN-UHFFFAOYSA-N 304.733 2.476 10 10 DECE Cc1ccc(CNC[C@@H]2C[C@@H]2CO)c(O)c1Br 2307472184 CWKQFHZUQKULKT-WDEREUQCSA-N 300.196 2.181 10 10 DECE Cc1ccc(CN(C)CC2CN(C)C2)c(O)c1Br 2327611043 ZNZCACGSSJTODV-UHFFFAOYSA-N 313.239 2.457 10 10 DECE CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 29524542 ADJXIBOSDOGVAW-VUDGCMKMSA-N 320.345 2.396 10 10 DECE CCOCCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1 66656272 UAWFIIGUYPPVRO-VMPITWQZSA-N 305.374 2.116 10 10 DECE Nc1ccc(OCCNC(=O)c2csc([N+](=O)[O-])c2)cc1 63130324 YEHMEINKBAHNDZ-UHFFFAOYSA-N 307.331 2.047 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/C1CC1 79367653 DTMNGSHQOOQMMT-RMKNXTFCSA-N 300.402 2.448 10 10 DECE CN(C(=O)c1ccn(-c2ccc(N)cc2)n1)[C@H]1CCSC1 35427923 QUCLUAFSDPYLRB-ZDUSSCGKSA-N 302.403 2.032 10 10 DECE CS(=O)(=O)c1ccc(OCCOc2ccc(N)cc2)cc1 37369511 QELILPMBWFMQPP-UHFFFAOYSA-N 307.371 2.130 10 10 DECE Cc1cc(C(=O)NCC2(CCO)CC2)c(C)n1-c1ccccn1 188046095 MBEOKQGKRKNMLG-UHFFFAOYSA-N 313.401 2.382 10 10 DECE C[C@@H](c1ccc2ccccc2c1O)N1CCS(=O)(=O)CC1 132283030 CKXIXKDOZSJJOD-LBPRGKRZSA-N 305.399 2.337 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H](N3CCOCC3)C2)cc1Cl 227328975 OXCMUBPXNQCWOL-TZMCWYRMSA-N 309.841 2.271 10 10 DECE Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1O 272722031 HNUQMGGTYXNQME-NSHDSACASA-N 321.373 2.210 10 10 DECE O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1ccccc1O 295590562 MMHITDUKAUATBY-NSHDSACASA-N 305.346 2.247 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@]2(C)CC2(F)F)c1O 827251992 SPQSFDIWIXDGHD-LBPRGKRZSA-N 302.277 2.444 10 10 DECE CC1CCN([C@@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588404690 KPODRJXKMHBCOD-SDQPKGBYSA-N 318.417 2.348 10 10 DECE CCCCN(O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 904198236 XJGQDYCGEJUCQV-CYBMUJFWSA-N 307.394 2.475 10 10 DECE COc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2N)c(O)c1 832178797 XELSFQYVDAZYTE-CABCVRRESA-N 306.406 2.315 10 10 DECE CN(CCO[C@@H]1CC1(F)F)c1ccc(OCC(=O)O)cc1 849345578 YHBAQUXKSUKZCO-GFCCVEGCSA-N 301.289 2.010 10 10 DECE O=C(C[C@H](O)C(Cl)(Cl)Cl)N1Cc2cccc(O)c2C1 913726329 MOEUWFIDAMQQBO-JTQLQIEISA-N 324.591 2.356 10 10 DECE Oc1ccc(Cl)cc1CNC(=S)NC[C@H]1CCCO1 844583535 BWPQIHGCLRGRDX-LLVKDONJSA-N 300.811 2.189 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 840934626 SWSYBEMXWSOTML-FRFSOERESA-N 301.434 2.160 10 10 DECE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(F)cc(N)c1O 687754911 WMQFDZBFGWBBIV-SNVBAGLBSA-N 314.313 2.154 10 10 DECE CCN(C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(OC)c(OC)c1 929897017 HYOFXJANOHDMCO-IFIJOSMWSA-N 307.390 2.334 10 10 DECE COc1ccc(N2CC[C@@H](NCc3c(C)nn(C)c3C)C2)cc1 850345453 APXBLBVLFBLKDX-OAHLLOKOSA-N 314.433 2.414 10 10 DECE C[C@@H]1NCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 861700604 GZZJPHLLGKYWLB-SUMWQHHRSA-N 316.449 2.177 10 10 DECE COC(=O)c1cc(OCCO[C@H]2CCCCO2)ccc1N(C)C 871793419 OTZNZDDFSMXOPD-INIZCTEOSA-N 323.389 2.461 10 10 DECE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(N)CC1(F)F 870857177 ACZMWUPKBOMACM-MRXNPFEDSA-N 323.387 2.372 10 10 DECE COc1cccc(CNC(=O)[C@H](OC)c2ccc(O)cc2)c1O 787444672 IBQNEMONNHJRDB-MRXNPFEDSA-N 317.341 2.110 10 10 DECE Cc1nc[nH]c(=NCCc2ccc(O)c(O)c2)c1Br 1963094490 NNKBTEIMJBXUSD-UHFFFAOYSA-N 324.178 2.035 10 10 DECE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1CN 715788307 JYXZGKIINGAUKX-PSASIEDQSA-N 317.202 2.320 10 10 DECE NC(=O)[C@@]1(NC2CC2)CCC[C@@H]1CCSc1nccs1 93629921 QJTKERWUMPFJRL-QMTHXVAHSA-N 311.476 2.402 10 10 DECE O=C(Nc1cnn(CC(F)F)c1)N1Cc2cccc(O)c2C1 1354663911 PIHUDKNQNPBRAZ-UHFFFAOYSA-N 308.288 2.402 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)C1=C[S@](=O)CCC1 1543310345 UYFDFQVJSYGMDC-OAQYLSRUSA-N 306.431 2.104 10 10 DECE C=CC(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1633599204 RWYGFQKBPAPUCL-UHFFFAOYSA-N 312.325 2.152 10 10 DECE C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1C1CC1 1631593728 RBQSJPVMEMZSTH-MFKMUULPSA-N 315.377 2.204 10 10 DECE O=C(NCc1c(O)cccc1O)[C@@H]1CCOc2c(F)cccc21 1639292464 DGIQTQLPIJPJLO-LLVKDONJSA-N 317.316 2.419 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 1633282881 OPJPZCIRRSFCST-UHFFFAOYSA-N 301.302 2.242 10 10 DECE C[C@@](O)(C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 1638351906 HVQKBPFYNWIQEH-INIZCTEOSA-N 321.760 2.275 10 10 DECE CCCc1noc(CCCC(=O)NCc2cc(O)ccc2O)n1 1644752412 DWOIEXQVDNVZMJ-UHFFFAOYSA-N 319.361 2.072 10 10 DECE COC(=O)c1cc(C)c(C(=O)NCc2c(O)cccc2F)o1 1596917173 XZGIXIWSAYTJBW-UHFFFAOYSA-N 307.277 2.149 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1nnc(-c2ccco2)s1 1597176244 RROUUWAZCIIYCX-UHFFFAOYSA-N 317.326 2.391 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1Cc2cccc(O)c2C1 1681355970 PLMSRYQRKFBGEE-LLVKDONJSA-N 316.332 2.204 10 10 DECE Oc1ccc(C2=NN=C3C4CCN(CC4)[C@H]23)cc1Br 169964220 MEWZUIVPMWHDGH-AWEZNQCLSA-N 320.190 2.408 10 10 DECE C[C@H](NC[C@@H]1CCCN1C)c1ccc(N2CCOCC2)c(F)c1 154642962 JYCZFOBUSNSOLH-HOCLYGCPSA-N 321.440 2.407 10 10 DECE CCOc1cccc(CNCCC(=O)Nc2cccnc2)c1O 1857852107 GULZXLXLZVBJIC-UHFFFAOYSA-N 315.373 2.304 10 10 DECE CCOC(C)(C)CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912210265 HELCSSWDAARJHQ-UHFFFAOYSA-N 304.416 2.154 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4CC[C@@H]43)c(Br)cc21 1923969870 CLULJLYQHIUGMU-RESLBDFXSA-N 322.206 2.390 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@H](C)N1C 228156524 GXOOFPAZGNXDRT-QWRGUYRKSA-N 312.255 2.437 10 10 DECE Oc1ccccc1CNC[C@@H]1CN(Cc2ccccc2)CCO1 238102564 PEECVKCQLWEXKC-GOSISDBHSA-N 312.413 2.383 10 10 DECE CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCN=[N+]=[N-])cn1 1985103487 WDKGKNQFCIZGLK-UHFFFAOYSA-N 320.353 2.146 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1Nc1c(N)cccc1C(=O)O 1986711619 FHCVOMZBAHJIKY-RYUDHWBXSA-N 321.377 2.435 10 10 DECE OCc1ccc(N2CCC(F)(CO)CC2)cc1Br 2039794169 FREHCUVSLFUQLV-UHFFFAOYSA-N 318.186 2.242 10 10 DECE Cn1ncc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1Br 403624944 RNDRHDHTVMQAPV-ZETCQYMHSA-N 313.159 2.098 10 10 DECE Oc1ccc(Br)cc1CN1CC[C@@H]2CCN[C@@H]2C1 904395951 HWYHZDXWQNPCED-GXFFZTMASA-N 311.223 2.339 10 10 DECE O=C(Nc1c(Cl)ncnc1Cl)c1cc(O)c(O)c(O)c1 2188910191 SHZNYLOJAUVQGA-UHFFFAOYSA-N 316.100 2.153 10 10 DECE CNCc1ccc(N2CC=CC[C@H]2CO)cc1Br 2056286968 QLAQUHRNOMBFMD-ZDUSSCGKSA-N 311.223 2.296 10 10 DECE NCc1cc(F)c(N2C[C@H]3C[C@H](O)[C@H]2C3)cc1Br 2057026653 UXXCBIOILFJPKJ-BLBGDKDGSA-N 315.186 2.006 10 10 DECE COc1cc(Cl)cc(CNCCCC[S@@](C)=O)c1O 2110344964 GSWLRXDTAIOPLW-LJQANCHMSA-N 305.827 2.303 10 10 DECE CN[C@H](C)c1ccc(N2CC(C[S@](C)=O)C2)cc1Cl 2110343227 IQDQBZAMOIKEHU-DGIBIBHMSA-N 300.855 2.435 10 10 DECE Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)c(Cl)n1 2202440380 XBTVTVLCMQONKS-UHFFFAOYSA-N 311.794 2.451 10 10 DECE CO[C@H]1CC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2230977695 ZRZFGCXZFHACJA-PELKAZGASA-N 305.783 2.212 10 10 DECE CSc1ncc(Cn2c(C)c(C(=O)O)c(C)cc2=O)s1 2284541641 NITDVVOJGFHWFM-UHFFFAOYSA-N 310.400 2.390 10 10 DECE Cc1ccc(N2C(=O)/C(=C\c3ccco3)C(=O)NC2=S)cc1 6798482 TWJIGPQEUWZACZ-LCYFTJDESA-N 312.350 2.419 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc3cccnn23)cc1F 1358003370 AHXIDTMNAJWRPL-UHFFFAOYSA-N 312.348 2.469 10 10 DECE CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1 120753429 KCWBYYWTDVYEPZ-ZBFHGGJFSA-N 322.449 2.068 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCN2CCOC[C@H]2C1 375239602 VDJPCJKGSVMMAQ-GFCCVEGCSA-N 317.216 2.215 10 10 DECE CC[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O 14819798 FFCVGPRCQWKWLA-LLVKDONJSA-N 314.293 2.022 10 10 DECE biogenic OCCCN1CCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1 294697491 CDASKXNLXKNKOY-GFCCVEGCSA-N 316.804 2.121 10 10 DECE CC(=O)C(=O)COC(=O)CSc1nccc2ccccc12 808527912 OBARWLZISYEEHR-UHFFFAOYSA-N 303.339 2.028 10 10 DECE C[C@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 294619710 JCOZPIWMXJNRHW-QWRGUYRKSA-N 316.804 2.072 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1ccc3c(c1)CCO3)C2 818234026 GQBZNEYIVUUAIK-BPUTZDHNSA-N 316.401 2.330 10 10 DECE CN(C)c1ccc(CN[C@H](CC2CCOCC2)C(=O)O)cc1F 901777194 QCBZUJJGRWRWQU-OAHLLOKOSA-N 324.396 2.251 10 10 DECE CCn1ccnc1CN[C@H](C)c1cc(C(=O)OC)ccc1O 834878561 FCXPGUQZCDGWDO-LLVKDONJSA-N 303.362 2.246 10 10 DECE CN(C)c1ccc(/C=C\CN2CCN(CCO)C(C)(C)C2)cc1 835046074 RIZLDHJHCSGSLN-WAYWQWQTSA-N 317.477 2.154 10 10 DECE CN(C)c1ccc(/C=C/CNCC[C@]2(O)CCCOC2)cc1 846106965 MPNWSVOSSWEAPQ-YWPBOTNQSA-N 304.434 2.287 10 10 DECE CCC(CC)N(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1 846241415 QUZMYUFIDXJKSM-UHFFFAOYSA-N 318.377 2.286 10 10 DECE COc1ccc(N2CCC(N[C@@H]3CN4CCC[C@H]3C4)CC2)cc1 924907730 RGHXUUFSDHNTQE-HNAYVOBHSA-N 315.461 2.348 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC=CO3)C2)cc1 855227988 SQEVTZBWQAWMCY-XJKSGUPXSA-N 302.374 2.083 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCSC3)C2)cc1 855233605 IZJYABPAVHXUIS-OLZOCXBDSA-N 306.431 2.143 10 10 DECE CN(CCCCNC(=O)NCc1c(O)cccc1F)C1CC1 922807430 BGSKSNBXOAOTCP-UHFFFAOYSA-N 309.385 2.205 10 10 DECE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(O)c(O)c1 698346460 JMCQIFYSGLSLJP-CYBMUJFWSA-N 324.377 2.270 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2COC[C@@]2(C)C1 853749085 MHPGSCRGXIGZFD-MAUKXSAKSA-N 317.433 2.239 10 10 DECE CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)C(=O)N1CCCC1 858293519 WCTAQFIKLITNEM-UHFFFAOYSA-N 321.377 2.039 10 10 DECE CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCOCC1 864573074 FHLPYOPOUPNHEL-KRWDZBQOSA-N 320.433 2.201 10 10 DECE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1895875307 IICCKOZKGFJESH-CABCVRRESA-N 321.381 2.155 10 10 DECE COC(=O)[C@@H]1[C@@H](CNCCCSc2nccs2)C1(F)F 894303050 GDRWZUGWPAJTBL-BDAKNGLRSA-N 322.402 2.269 10 10 DECE Oc1cc2c(cc1CN1CCO[C@]3(CCCOC3)C1)CCC2 795633668 DVBSSEIOJZTIER-GOSISDBHSA-N 303.402 2.262 10 10 DECE O=C1CCCN1[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 790458197 JFKQVUTZNXWXFC-MRXNPFEDSA-N 300.402 2.078 10 10 DECE CN(CCCNC(=O)OC(C)(C)C)Cc1cc(N)ccc1O 1959534724 SHQJRUSTGLKZIJ-UHFFFAOYSA-N 309.410 2.321 10 10 DECE Nc1ccc(N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 1959563098 WZSXTBDQSXYNKJ-JTQLQIEISA-N 301.312 2.164 10 10 DECE CCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] 1162279170 UCGYAERROFIVIH-UHFFFAOYSA-N 316.313 2.498 10 10 DECE OC[C@H](CNCc1cc(Br)cc(F)c1O)C1CC1 1963635437 QDIIXEXEIDSEER-JTQLQIEISA-N 318.186 2.402 10 10 DECE CC(=O)C(=O)[C@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1919255144 JCYLLDOLRGYIBY-MRXNPFEDSA-N 307.346 2.399 10 10 DECE CN(C)c1cccc(CCC(=O)NCc2cccc(O)c2O)c1 1349080058 YFEOENDHVDBPNC-UHFFFAOYSA-N 314.385 2.413 10 10 DECE COc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2cccc(O)c2C1 1455036949 MCNKNHIBHTYLFT-UHFFFAOYSA-N 314.297 2.465 10 10 DECE Cc1ccc(C(=O)N[C@@H]2C[C@H](N(C)C)C23CCC3)c(O)c1O 1642418395 YYRPEFZGKYSNGH-OLZOCXBDSA-N 304.390 2.009 10 10 DECE C[C@@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1 1641881548 RLXSCLLURNQFQU-MRXNPFEDSA-N 323.295 2.014 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2cc(F)c[nH]2)cc1C 1699412804 VTQGGIAOAVMCNG-LBPRGKRZSA-N 319.380 2.379 10 10 DECE CC(=O)c1cc(Cl)cc(CN(C)CC(F)(F)CO)c1O 1966256646 DOQDWYVBQOOAQO-UHFFFAOYSA-N 307.724 2.308 10 10 DECE COc1ccc(N2CC[C@@H]2CN)c(OC)c1Br 1999233088 YMKDURUJDODASI-MRVPVSSYSA-N 301.184 2.004 10 10 DECE OCc1ccc(N2CC3(CC3)C[C@@H]2CO)cc1Br 2037828815 YSHLQSBVLOQODZ-GFCCVEGCSA-N 312.207 2.293 10 10 DECE CN[C@H](C)c1ccc(N2CCCS(=O)(=O)CC2)c(Cl)c1 300523449 YDTQMIZJEKTRRF-LLVKDONJSA-N 316.854 2.245 10 10 DECE COC(=O)c1ccnn1Cc1ccc(Br)cc1O 2069954326 KOVRZVTYXTWAKU-UHFFFAOYSA-N 311.135 2.186 10 10 DECE CN[C@H](C)c1cc(F)c(N2CC[S@](=O)C[C@@H]2C)c(F)c1 2194689375 LDMSMWDFHOBZHC-AUKWLOTRSA-N 302.390 2.202 10 10 DECE Cc1nc(Br)cc(=NCCc2ccc(N)cc2)[nH]1 2044030399 SANVHUQAWZPNEY-UHFFFAOYSA-N 307.195 2.206 10 10 DECE C[C@H](NC[C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)ccc1O 2192328057 CBRNGCVTMXCGBS-NHCYSSNCSA-N 301.383 2.005 10 10 DECE COc1ccc(Br)c(CN[C@@H]2[C@H]3CCO[C@H]32)c1O 2220464662 RSFRKRNWLZBWQR-TWPQKTAQSA-N 314.179 2.040 10 10 DECE CN(C)C[C@@H]1C=CCN1c1ccc(CN)cc1Br 2222809081 XVSNSZKMTOOQNY-LBPRGKRZSA-N 310.239 2.214 10 10 DECE CSc1ncc(CN[C@@H]2C[C@H]3C[C@H]2CC32OCCO2)s1 2248700153 KEANWEZPUZAIEV-HOSYDEDBSA-N 312.460 2.496 10 10 DECE CN(C)c1ccc([C@@H](O)CNC(=O)C=Cc2ccco2)cc1 2297514024 DOAOXAZBWMKPRK-INIZCTEOSA-N 300.358 2.209 10 10 DECE CN(C[C@@H]1CCO1)c1ccc(CN)c(Br)c1F 2302377951 NLMBNCYAMNAJMF-VIFPVBQESA-N 303.175 2.272 10 10 DECE CNC(=O)C[C@H](C)NCc1ccc(C)c(Br)c1O 2327619336 SKJCHMVUDJFZTI-VIFPVBQESA-N 315.211 2.077 10 10 DECE CN1CCc2cc([C@]3(O)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2329916143 SHATYQPYXXXVFJ-YQQAZPJKSA-N 301.386 2.040 10 10 DECE CNCc1ccc(OC)c(CS(=O)(=O)c2ccccc2)c1 61702699 ZSSOXOTVZPWKJT-UHFFFAOYSA-N 305.399 2.389 10 10 DECE Nc1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1 88416886 KDEAEWABVREUDG-JTQLQIEISA-N 301.312 2.482 10 10 DECE CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(F)ccc1O 373587837 YXNZEMIHGXWIKN-ZIAGYGMSSA-N 311.353 2.074 10 10 DECE O[C@H]1[C@H](CNCc2ccc3c(c2)CCO3)CCC12CCOCC2 282879005 RTZPOJZSQULMOW-WMZOPIPTSA-N 317.429 2.279 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)cc1 809940145 DJGZFDOBIWIXCL-LBPRGKRZSA-N 320.286 2.244 10 10 DECE CC(C)(C)OC(=O)NCCNCc1ccc(F)c(F)c1O 700758608 BPQXYDWNTZMSKF-UHFFFAOYSA-N 302.321 2.285 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@H]2C(=O)O)c1O 818331480 WFDYGHJLXWAERJ-XPTSAGLGSA-N 309.337 2.419 10 10 DECE CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)F 824634573 ATQNXQMQMRYLHU-LSDHHAIUSA-N 314.376 2.017 10 10 DECE O=C(NCc1c(O)cccc1F)NCC1(CF)CCOCC1 922718322 SPXMRKQYVCVHNV-UHFFFAOYSA-N 314.332 2.097 10 10 DECE CCS(=O)(=O)C1(CNCc2c(O)ccc(Cl)c2F)CC1 850397530 HIYQDROMERDDCZ-UHFFFAOYSA-N 321.801 2.242 10 10 DECE COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 850494867 YNYNEDHVRUQXNL-LRDDRELGSA-N 309.406 2.493 10 10 DECE CCOC(=O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCC1 768603171 DZHOWPMCPFMCRH-VQHVLOKHSA-N 319.357 2.055 10 10 DECE Cc1nc(CS(=O)(=O)N2Cc3cccc(O)c3C2)cs1 867691285 UXADVYCBANAXML-UHFFFAOYSA-N 310.400 2.003 10 10 DECE O=C(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(O)cs1 1123934095 RNOGATWIHYCTQE-JSGCOSHPSA-N 324.446 2.075 10 10 DECE O=C(NC[C@@H](O)C1CCC1)c1cc2cc(O)c(O)cc2s1 897934702 SCGLDCPNNKRTSK-GFCCVEGCSA-N 307.371 2.203 10 10 DECE O=C(NCC1(CO)CCC1)c1cc2cc(O)c(O)cc2s1 897376048 LPDOSNKFNCNVLN-UHFFFAOYSA-N 307.371 2.205 10 10 DECE CC1=C[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 797525557 BAOFUFUAUOORGW-AWEZNQCLSA-N 301.434 2.267 10 10 DECE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885561632 UQELCEVNKQVMMU-VIFPVBQESA-N 317.415 2.059 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2conc2C)cc1C 1321968541 LAYOQWZNVRBHDJ-LBPRGKRZSA-N 317.389 2.208 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Cl)c1 688549542 OISYWCQBSGOMCC-MNOVXSKESA-N 318.870 2.490 10 10 DECE Cc1cc(O)c(CNCC[C@@H]2CCCS2(=O)=O)cc1Cl 1338287276 DDYXEMXBDMWENT-LBPRGKRZSA-N 317.838 2.411 10 10 DECE CNCc1ccc(N2CCS[C@@H](CCO)C2)c(Cl)c1 720039622 NPMMQLJZXGVXJD-LBPRGKRZSA-N 300.855 2.364 10 10 DECE CO[C@@](C)(C(=O)NCc1cc(O)ccc1O)c1ccccc1F 1471661640 WFAKCZAQQKYEFC-QGZVFWFLSA-N 319.332 2.415 10 10 DECE Cc1cc(Cl)nc(C(=O)NCCc2ccc(O)c(O)c2)c1 1545669138 MJNBJAWAEYVMDJ-UHFFFAOYSA-N 306.749 2.427 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2[nH]ccc12 1624955324 XGUJDZDSPRWNEY-SNVBAGLBSA-N 311.341 2.335 10 10 DECE CO[C@@](C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1556724439 MEEMQOPMEPHYTC-HNNXBMFYSA-N 304.350 2.394 10 10 DECE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@H]2CCCO2)cc1C 1482253232 KMSMTFGPBGUHLW-RHSMWYFYSA-N 320.433 2.119 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cnc(-c2ccccc2)[nH]1 1633599177 QXANBPGNQJMHNQ-UHFFFAOYSA-N 309.325 2.418 10 10 DECE CC(=O)Nc1cnccc1C(=O)NCc1cc(Cl)ccc1O 1644590469 BIBRSFQQQGZFIN-UHFFFAOYSA-N 319.748 2.329 10 10 DECE CC(C)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1661197963 VCLOOJZJDKWLNC-CQSZACIVSA-N 317.393 2.355 10 10 DECE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2O)SC1=S 16904654 IKYSUQLSWHONAV-MKVDPYIPSA-N 323.395 2.457 10 10 DECE Nc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 160332601 SYCOBEMZPNXSSQ-UHFFFAOYSA-N 324.300 2.010 10 10 DECE C[C@@H](NC(=O)c1cc(Br)n(C)n1)c1ccccc1O 1642828098 ZRPNRCQHXZXCHO-MRVPVSSYSA-N 324.178 2.379 10 10 DECE CC(=O)NCCN1C(=O)/C(=C\c2ccsc2)SC1=S 1858586802 IEISTXGQVSZFQH-UXBLZVDNSA-N 312.441 2.085 10 10 DECE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CCCCCC2)CC1 1912171932 AVFCBRFAFBTLHO-UHFFFAOYSA-N 301.416 2.130 10 10 DECE NC[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1Br 1923565587 FIDXEIRKZCMGGA-IUCAKERBSA-N 303.175 2.026 10 10 DECE OC[C@H](NCc1cccc(Br)c1O)C(F)(F)F 1942829373 SPJPRGOFWXJWNM-QMMMGPOBSA-N 314.101 2.168 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@]1(C)CCN1 1952478149 CNJXTUCURVDGME-WMLDXEAASA-N 322.405 2.286 10 10 DECE C[C@@H]1CN(Cc2c(O)cccc2Br)CC[S@@]1=O 1970339200 SMBPPOUZRZYICA-XLFHBGCDSA-N 318.236 2.108 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1[C@@H](N)c1ccccc1O 1982963613 IWHMIYTWVYAOJS-NFAWXSAZSA-N 322.405 2.322 10 10 DECE CNCc1ccc(N2CC[C@H](O)[C@@H](F)C2)c(Br)c1 2027969772 QVBJHRTWTWHTJW-AAEUAGOBSA-N 317.202 2.078 10 10 DECE NC(=O)[C@@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 2029531192 YLJAVPHJMIYSPP-BDAKNGLRSA-N 312.211 2.487 10 10 DECE CCNCc1ccc(N2C[C@H](F)[C@H](O)C2)c(Br)c1 2031929543 SSRSBCLCAYFKBW-WCQYABFASA-N 317.202 2.078 10 10 DECE COCC(COC)N(C)c1ccc(CN)cc1Br 701668925 BIKBNNHJCLZJCH-UHFFFAOYSA-N 317.227 2.005 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2CN3CC(F)F)c(Cl)c1 2188340430 YPVJHIZQMNBHBR-MNOVXSKESA-N 301.768 2.327 10 10 DECE CN(Cc1cn(C)nc1Br)c1ccc(CO)cc1 2053033313 VFXQOCDLVPIKLH-UHFFFAOYSA-N 310.195 2.311 10 10 DECE NCc1cc(F)c(N2CC[C@H]3[C@@H]2C[C@H]3O)cc1Br 2057970370 FRYAJQDIJJJWFK-LJUAHTATSA-N 315.186 2.006 10 10 DECE COc1ccc(N2CCCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 2087868165 UPGSGIZZGCMLPG-CYBMUJFWSA-N 308.334 2.335 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2OCCO[C@H]2C1 2093356295 FQTVTXKTSIGSNI-RYUDHWBXSA-N 304.173 2.299 10 10 DECE CC(C)N(CCS(C)(=O)=O)c1ccc(CO)cc1Cl 2113819715 UCTMWPRSRKXMTE-UHFFFAOYSA-N 305.827 2.092 10 10 DECE O=C(O)[C@@H]1C[C@]12C[C@H]2NCc1c(O)cccc1Br 2256198566 ABDQMEMOYVGNRW-KDDOJWQBSA-N 312.163 2.108 10 10 DECE CSc1ncc(Cn2nnc3c(C(=O)O)cccc32)s1 2284550618 JCYWQEQGCZYBRW-UHFFFAOYSA-N 306.372 2.356 10 10 DECE COC(=O)CN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S 2297449469 GWQMDTXXGVOOMR-UHFFFAOYSA-N 323.395 2.069 10 10 DECE CC(C)[C@@H](CO)N(C)c1ccc(CN)cc1Br 2302497404 ACIZUWRQOFRLNO-CYBMUJFWSA-N 301.228 2.361 10 10 DECE CCc1nc(CNC(=O)C=Cc2ccc(O)c(O)c2)cs1 2307987380 YGMSYZHOJQUUGG-UHFFFAOYSA-N 304.371 2.446 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)c1cccs1 2308005787 HACQZZJXYJDIFD-UHFFFAOYSA-N 303.339 2.172 10 10 DECE CN(Cc1ccccc1O)C1CCN(CCn2cccn2)CC1 179572071 BXEDYWZOPUSDPI-UHFFFAOYSA-N 314.433 2.185 10 10 DECE COc1ccc2c(c1)CCN2C(=O)c1cnoc1-c1cnn(C)c1 189283564 AAFVJJNYNMNTFL-UHFFFAOYSA-N 324.340 2.287 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2ccn[nH]2)CC1 181107082 MZAINGJHBYYXFT-DUXPYHPUSA-N 313.357 2.240 10 10 DECE CN(C1CCCCC1)S(=O)(=O)CCOc1ccc(N)cc1 70490490 HQBIMQOCXKVEHF-UHFFFAOYSA-N 312.435 2.242 10 10 DECE CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1O 120714780 OLGATDQDDXFZKE-ZBFHGGJFSA-N 322.449 2.068 10 10 DECE CC(C)C[C@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 71029004 NBSHTRVAPROZBV-ZDUSSCGKSA-N 314.451 2.344 10 10 DECE Nc1ccc(NC(=S)NC[C@@H]2COc3ccccc3O2)cc1 243860091 RIRVAULDDRQLBG-CYBMUJFWSA-N 315.398 2.395 10 10 DECE Cc1cc(Br)cc(CN2C[C@@H](O)C3(CC3)C2)c1O 368798473 FEPQMOIBRRGHKG-GFCCVEGCSA-N 312.207 2.420 10 10 DECE COc1ccc(N2CCC(NCC3(C)OCCCO3)CC2)cc1 365178631 HKUULPDZIOBSRB-UHFFFAOYSA-N 320.433 2.407 10 10 DECE Cc1cc(C(=O)NCc2cc(Br)ccc2O)nn1C 804739447 YVOGPXVOBNFCEM-UHFFFAOYSA-N 324.178 2.127 10 10 DECE C[C@H](N[C@H]1CCCCNC1)c1ccc(N2CCOCC2)c(F)c1 817984462 TWAHGSOEIXVVFO-HOCLYGCPSA-N 321.440 2.455 10 10 DECE COc1cccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1O 827680047 MCMVJYMGNJCBCQ-CQSZACIVSA-N 306.406 2.137 10 10 DECE COc1cc(O)c(CNCC2(CF)CCOCC2)cc1OC 824795045 MIOYWPVMNQRCDZ-UHFFFAOYSA-N 313.369 2.265 10 10 DECE CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 732234825 BZJCEXZVFWDTST-KRWDZBQOSA-N 316.449 2.131 10 10 DECE CC(C)/C=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1 588604519 JMGNGJGPDWVHCV-UTCJRWHESA-N 306.381 2.491 10 10 DECE CCC[C@H](C)[C@H](CO)NCc1ccc(N2CCOCC2)cc1 846015069 BBTDTTWSHHFNHE-YJBOKZPZSA-N 306.450 2.410 10 10 DECE COC(=O)/C(C)=C\CN1CCCN(c2ccc(OC)cc2)CC1 748812755 FZWICQQPZGNHAR-DHDCSXOGSA-N 318.417 2.327 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C(F)(F)C(F)F)C2)cc1 855230299 FXSWAVLTSQVLAW-SECBINFHSA-N 320.286 2.291 10 10 DECE CCOC(=O)CC[C@@H](C)NC(=O)NCc1c(O)cccc1F 921695701 WMUHQCDJBRINNQ-SNVBAGLBSA-N 312.341 2.062 10 10 DECE O=C(NCc1ccccc1O)NC[C@]12OCCC[C@H]1C2(F)F 852574079 KAJBHCHOBJWBIE-OCCSQVGLSA-N 312.316 2.006 10 10 DECE C[C@H](NC(=O)N1C[C@H](C)[C@@H](O)[C@H](C)C1)c1ccc(N(C)C)cc1 854003703 KGRUFBXXLJSMEL-QDEZUTFSSA-N 319.449 2.472 10 10 DECE COc1ccc(N2CC[C@H](Nc3ncnc(C)c3OC)C2)cc1 853759816 AQSMVNLYTOHELN-ZDUSSCGKSA-N 314.389 2.493 10 10 DECE Cc1nccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 765251196 MUZPMCDBQTVGGX-AWEZNQCLSA-N 312.417 2.472 10 10 DECE COc1ccc(O)c(CNC(=O)c2cccc([S@](C)=O)c2)c1 771415959 ADSPMYZYDFEIAI-QFIPXVFZSA-N 319.382 2.068 10 10 DECE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)cc2)C1 1959571261 ZSBOUBDXSIMHIJ-MWLCHTKSSA-N 301.312 2.162 10 10 DECE O=C(CNc1ccccc1Cl)NCc1c(O)cccc1O 1156881311 YEWQVBPQTKDZHL-UHFFFAOYSA-N 306.749 2.480 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H](O)c1ccc(Cl)cc1 1303225896 RABQRUVNUBGLAR-AWEZNQCLSA-N 307.733 2.101 10 10 DECE O=C(Nc1c[nH]ccc1=O)c1cc2cc(O)c(O)cc2s1 1464822661 VGAKCRLUMPVOTP-UHFFFAOYSA-N 302.311 2.253 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ccccn2)C1 1468382743 QIPXPUOBPQPDOX-AWEZNQCLSA-N 312.369 2.442 10 10 DECE COc1ccc(CNC(=O)c2cnc3cccc(C)n23)c(O)c1 1626079898 OUKAZEYSJKHCHM-UHFFFAOYSA-N 311.341 2.287 10 10 DECE O=C1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc2N1 1631125394 ZUPOJDPOIFYUBX-VURMDHGXSA-N 324.336 2.092 10 10 DECE C[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccccc1O 1643742031 LBNHLNFHJNGHRS-LBPRGKRZSA-N 313.357 2.391 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@@]2(C)CCOC2)cc1C 1690634214 SXJUHHJISNMETR-KSSFIOAISA-N 320.433 2.025 10 10 DECE CCOC(=O)CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 4461439 DCYJGWJEGUHXIB-YRNVUSSQSA-N 323.395 2.157 10 10 DECE CCOC(=O)N1CCN(/N=N/c2ccc(OC)c(OC)c2)CC1 1860485334 DJNZUYOBMDTHMD-WUKNDPDISA-N 322.365 2.477 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1O 2141100364 UVGYGAHIYDBRAY-AAEUAGOBSA-N 303.811 2.101 10 10 DECE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccccc1O 1984338210 RPAINCHMTXYYMF-DZGCQCFKSA-N 322.405 2.116 10 10 DECE CCCNCc1ccc(N(C)C[C@@H](O)COC)c(Cl)c1 164013500 SIRABIDWLKXAKE-CYBMUJFWSA-N 300.830 2.283 10 10 DECE CS[C@H]1COC[C@@H]1NCc1cccc(Br)c1O 2026378227 NYQSWDGDFXLVKU-QWRGUYRKSA-N 318.236 2.375 10 10 DECE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC(F)(F)C2)cc1 2156232608 YDAQHCNLUOABRM-NSHDSACASA-N 304.362 2.124 10 10 DECE CCS[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 300680274 ZTPDJSDWGYBCSD-ZIAGYGMSSA-N 314.476 2.362 10 10 DECE O=C1Nc2cc(N3C[C@H]4CC[C@H]4C3)c(Br)cc2[C@H]1O 688294256 WRHATBQBMUBDCD-BFHDXFOESA-N 323.190 2.281 10 10 DECE Cn1cc(Br)c(CNCCc2ccc(N)cc2)n1 393647164 XBSUGHTWKGAUSC-UHFFFAOYSA-N 309.211 2.097 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2C[C@@H]3O)c(Br)c1 2052053821 OIDSCTVXTPXCPG-ZMZKGCHWSA-N 311.223 2.428 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCCN=[N+]=[N-])[C@@H]1C1CC1 2242748994 WEGWCZIDSGAQCI-NEPJUHHUSA-N 323.397 2.449 10 10 DECE CN(C)CCCCNCc1cc(Br)c(O)cc1O 2256018016 JYZBBYWPKBNXOC-UHFFFAOYSA-N 317.227 2.292 10 10 DECE Cc1ccc(CN[C@H](C)C[S@@](C)=O)c(O)c1Br 2307478300 WLAFJFATKFEUNP-VVVCHXIZSA-N 320.252 2.320 10 10 DECE Cc1ccc(CNC(=O)[C@H]2CCCO2)c(O)c1Br 2327584603 CVBAIMMDVZLAJR-SNVBAGLBSA-N 314.179 2.258 10 10 DECE Cc1ccc(CN2C[C@H](C)[C@H](CN)C2)c(O)c1Br 2327619898 YPOKSEFXJFXWPA-CMPLNLGQSA-N 313.239 2.490 10 10 DECE Cc1cnc(Br)c(NC(=O)c2cc(O)nc(O)c2)c1 311512046 ZMBRYPXWVJKMLA-UHFFFAOYSA-N 324.134 2.211 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1CCS(=O)(=O)CC1 36331682 XSOQGJVTEHEQKV-WCQYABFASA-N 309.431 2.416 10 10 DECE NC(=O)[C@@](CSc1nccs1)(CC1CCC1)NC1CC1 2366456540 VYKSDFFFJMXOJI-AWEZNQCLSA-N 311.476 2.402 10 10 DECE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 259403292 INFJNDVNIVDCOK-UHFFFAOYSA-N 310.353 2.297 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC3(CCCOC3)C2)cc1 806326279 ZPYOMVGLVMTBQT-UHFFFAOYSA-N 303.406 2.075 10 10 DECE N[C@H](c1cccc(Br)c1O)[C@@H](O)C(F)(F)F 396696982 ONHIKDUCXWTMGS-HTRCEHHLSA-N 300.074 2.078 10 10 DECE CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N(C)C)cc1C 825873853 POMKJJRFDIXSLP-RHSMWYFYSA-N 320.433 2.119 10 10 DECE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccccc1O 907057245 SBGVQPFLLLYOMT-RKLWJJNISA-N 315.369 2.010 10 10 DECE CN(C)c1ccc2c(c1)OCCN2CC1C[C@@H]2CC[C@H](C1)N2 903906384 VULABDQFNNPOMW-GOOCMWNKSA-N 301.434 2.482 10 10 DECE CN(C)c1ccc(CN2C[C@H]3CC[C@H]2[C@@H]2CNC[C@@H]32)cc1F 903961018 AJWFTKUGJDFGLM-DLTWYDFYSA-N 303.425 2.322 10 10 DECE C[C@H]1CN(CCO)[C@H](C)CN1Cc1cc(Cl)c(F)cc1O 841891680 OOLYHWZQKAPSRL-MNOVXSKESA-N 316.804 2.072 10 10 DECE C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1c(O)cccc1F 928709058 WWHPTJFENMBYBL-SNVBAGLBSA-N 310.369 2.088 10 10 DECE C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Nc1ccc(N)cc1 850751104 UPTDAYOMPHXRHP-LDYMZIIASA-N 303.284 2.452 10 10 DECE COCCN(CCc1nnc(C)o1)c1ccc(OC)c(OC)c1 929995558 HKDNFMLTKOEVLY-UHFFFAOYSA-N 321.377 2.091 10 10 DECE COc1ccc(N2CC[C@@H](NCC3(OC)CCOCC3)C2)cc1 850347797 XSNQVAMMJVSASK-OAHLLOKOSA-N 320.433 2.059 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CCOC(C)C)C2)cc1 855232156 ONXAJPBFFCENPX-CQSZACIVSA-N 306.406 2.205 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(-c2ccncc2)c1 779515056 SAMBCZFHQRLEPX-DUXPYHPUSA-N 322.324 2.330 10 10 DECE COC(=O)[C@@H]1[C@@H](CN[C@@H](C)c2cc(OC)ccc2O)C1(F)F 894782141 JPBDJEMSDBHUQY-KDDOJWQBSA-N 315.316 2.106 10 10 DECE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1c1ccc(N)cc1 1959518472 GICRGLNVDWNUDD-GXSJLCMTSA-N 301.312 2.305 10 10 DECE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCN 1959537662 YLRLFGWDOPAETO-UHFFFAOYSA-N 305.422 2.423 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(-c2ccccn2)no1 1156881267 WQUKOIASPQEXSQ-UHFFFAOYSA-N 311.297 2.078 10 10 DECE Cc1cc(CN2CCN(C)[C@@H](CO)C2)ccc1N1CCCCC1 1307986394 GCAFKEDUSYFZTC-GOSISDBHSA-N 317.477 2.094 10 10 DECE CN(C)c1ccc(CNc2cc(C(N)=O)nc(Cl)n2)cc1F 1306946772 OBZRMALZUSRIHI-UHFFFAOYSA-N 323.759 2.046 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2OCCN(CCCN=[N+]=[N-])[C@@H]2C1 1962306104 XUDWZTPZLFLNJE-VXGBXAGGSA-N 311.386 2.007 10 10 DECE O=C(COc1cc(F)cc(F)c1)NCc1cccc(O)c1O 1176575865 CUNLTTNKJKOBTB-UHFFFAOYSA-N 309.268 2.071 10 10 DECE CN(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1c(O)cccc1F 1339835046 IXFVNHDVAGMGMO-KBPBESRZSA-N 309.385 2.203 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cc(Br)n[nH]1 788283979 RCGWAUHXWKNUFH-UHFFFAOYSA-N 310.151 2.150 10 10 DECE CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H](C)C(C)C 1331952140 YSSUESDPGYITIV-GFCCVEGCSA-N 304.390 2.127 10 10 DECE C[C@H](NC(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1)c1ccc(N(C)C)cc1 1634435858 SIENJKBNMNVZRK-JSQNDZKTSA-N 317.433 2.226 10 10 DECE COC(=O)c1coc(C(=O)NCc2cc(Cl)ccc2O)c1 1640920040 JMTHTKSBZVCVOF-UHFFFAOYSA-N 309.705 2.355 10 10 DECE COc1cc(O)ncc1C(=O)NCc1cccc(Cl)c1O 1653566835 CBOXLJNUYDEUOY-UHFFFAOYSA-N 308.721 2.085 10 10 DECE C[C@H]1SC(=S)N(CCC(=O)NC2CCCCC2)C1=O 11635997 HVQQONVBTMQPEL-SECBINFHSA-N 300.449 2.074 10 10 DECE CCn1cnc2scc(C(=O)Oc3ccc(N)cc3)c2c1=O 1860404491 PEVMMDIUKIULHP-UHFFFAOYSA-N 315.354 2.279 10 10 DECE CN(CC1(Br)CC1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1887894281 ZMIDYOQJWYRARK-LBPRGKRZSA-N 324.222 2.027 10 10 DECE O=C(O)C=Cc1ccc(N2C[C@@H]3COC[C@H]32)c(Br)c1 2129731903 SOSFTYAPJNPKIZ-ZWNOBZJWSA-N 324.174 2.382 10 10 DECE Nc1ccc(-n2nnc(C(=O)NC3CCCCCCC3)n2)cc1 1857878717 JXNYRVWSAITKGX-UHFFFAOYSA-N 314.393 2.087 10 10 DECE CCOc1cccc(CNCC(=O)Nc2ncc(C)s2)c1O 1857854061 LSQOBDWPNFPCFA-UHFFFAOYSA-N 321.402 2.284 10 10 DECE [N-]=[N+]=NCCn1ccnc1CCN1C(=O)c2ccccc2C1=O 1912186469 DTDPTYWKAWFQQY-UHFFFAOYSA-N 310.317 2.032 10 10 DECE Nc1ccc(N2C(=O)[C@]34CCC[C@]3(C4)C2=O)cc1Br 2142232963 WYXILQJUQRSBJL-OKILXGFUSA-N 321.174 2.465 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H]1c1ccc(O)c(O)c1O 1952661417 UNIFGNAVPFNMTH-PWSUYJOCSA-N 324.377 2.203 10 10 DECE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1981510900 WKAYLTOMMWSCAR-UONOGXRCSA-N 321.421 2.359 10 10 DECE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC[C@@H](F)C2)cc1 2152331701 MDWSJSNBKKVADK-QWHCGFSZSA-N 300.399 2.217 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)c(Br)c1 2033976755 DTGZCMWJESGGDM-AEHQLWAISA-N 311.223 2.286 10 10 DECE NCc1cc(F)c(N2CCC[C@]23CC[S@@](=O)C3)cc1Cl 2177387267 FAKPTRZDCYIMDF-JLTOFOAXSA-N 316.829 2.429 10 10 DECE CC(C)S(=O)(=O)CCN(C)c1ccc([C@H](C)O)cc1F 2170466596 HFXFPFVMRPAKRL-NSHDSACASA-N 303.399 2.138 10 10 DECE O=C(O)[C@H](F)C1CN(Cc2cc(Br)ccc2O)C1 2048006663 WQUGXTLGXQXDDE-LLVKDONJSA-N 318.142 2.009 10 10 DECE C[C@@H](N)c1cc(F)c(N2CCSC[C@@H]2CCO)c(F)c1 2194693939 GFENLKIPPVWEIF-KOLCDFICSA-N 302.390 2.289 10 10 DECE CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1ccc(CO)c(Br)c1 2056363507 SXYZUAUCWCAQNR-SCRDCRAPSA-N 312.207 2.413 10 10 DECE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)n1 2218739672 GQFKVDBGWIGQHC-SFYZADRCSA-N 313.159 2.144 10 10 DECE [N-]=[N+]=NCC1CCN(C(=O)/C(Cl)=C(/Cl)C(=O)O)CC1 2225796076 UCFUEMZOTNTZQI-FPLPWBNLSA-N 307.137 2.309 10 10 DECE COc1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)C[C@@H](C)O2 491911543 DNEPIVMRIJGJRN-GCLPIYDQSA-N 311.341 2.313 10 10 DECE N[C@@H]1[C@@H]2CC[C@H]1N(Cc1cc(Br)cc(F)c1O)C2 2310482532 KWBQVZQERAFBAS-NZXMKCKXSA-N 315.186 2.215 10 10 DECE Cc1ccc(CN[C@@H]2CNC23CCC3)c(O)c1Br 2327627714 CVUWDLBIHYNHHC-LLVKDONJSA-N 311.223 2.447 10 10 DECE CN[C@H](C)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2342114221 QNTLJZPMCQQBBV-OPRDCNLKSA-N 320.505 2.481 10 10 DECE Cc1noc(C)c1S(=O)(=O)N(C)[C@@H](C)c1ccccc1O 38089868 KSTQOVHUNBMHQN-JTQLQIEISA-N 310.375 2.379 10 10 DECE COC(=O)C1=C(C)NC(=O)/C1=C/c1cccc(Br)c1 33286494 PSQWEVGHXMIKOI-YRNVUSSQSA-N 322.158 2.409 10 10 DECE Cc1ccc(O)c(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 122478038 BBLBJXYLHZCZLM-INIZCTEOSA-N 301.390 2.107 10 10 DECE Oc1c(Br)cccc1CN[C@@H]1CCN2CCC[C@H]12 42412327 YNBUOUIIYZNKEU-CHWSQXEVSA-N 311.223 2.481 10 10 DECE CC(=O)CCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 196496245 WIRYNJASQBKFAN-UHFFFAOYSA-N 310.305 2.395 10 10 DECE CN1CCC(CC(=O)N2CCOc3cc(N(C)C)ccc32)CC1 273192230 IHQBRSHDZDEZEO-UHFFFAOYSA-N 317.433 2.210 10 10 DECE COC(C)(C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 809833632 LCSIBVXABOARTR-LBPRGKRZSA-N 314.451 2.158 10 10 DECE C[C@H]1CCN(c2cc(C(=O)NCCc3ccc(N)cc3)ccn2)C1 832659278 XWSSBBLDKHUUJL-AWEZNQCLSA-N 324.428 2.483 10 10 DECE CN(C)c1ccc(/C=C/CN2CCS(=O)(=O)C(C)(C)C2)cc1 835029485 UIJXBGKHGWRXDP-AATRIKPKSA-N 322.474 2.275 10 10 DECE O=[S@@]1CCCN(Cc2ccc(Br)cc2O)CC1 691680203 UGAFDRRAGPYEPO-QGZVFWFLSA-N 318.236 2.109 10 10 DECE COCCN1CCC[C@H]1CN[C@H](C)c1cccc(OC)c1O 846147082 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10 10 DECE CCn1c([C@H]2CCCN2)cc(=O)n2nc(-c3cccnc3)cc12 71468386 QCDABSALMHWGBJ-CYBMUJFWSA-N 309.373 2.002 10 10 DECE COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C 775917416 PFOUKQDPLZJKQD-LLVKDONJSA-N 317.393 2.377 10 10 DECE O=C1/C(=C/c2cncnc2)SC(=S)N1c1cccnc1 781105756 FEXGVTWFWKVDFS-WCIBSUBMSA-N 300.368 2.277 10 10 DECE C[C@H](Nc1ccc(N)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1959354442 YFBMTYNSDDXAFS-NSHDSACASA-N 307.394 2.051 10 10 DECE CO[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1OC 707155176 NSGMVINXOUCRMM-CHWSQXEVSA-N 316.195 2.000 10 10 DECE C[C@@H](CNCC1CC1)CNC(=O)c1ccc(N=NC(N)=O)cc1 1270605059 VUSJSZXDPYIQEW-NSHDSACASA-N 317.393 2.215 10 10 DECE COc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)nn1C 1467236448 KJFAIUQMYJISBG-UHFFFAOYSA-N 319.342 2.307 10 10 DECE C[C@H](CNCCCF)CNC(=O)c1ccc(N=NC(N)=O)cc1 1715270228 DBTBMTIPFRVEKY-LLVKDONJSA-N 323.372 2.164 10 10 DECE Cc1ccc(O[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 1630301896 MAHLKKMYRFECPF-GFCCVEGCSA-N 301.342 2.490 10 10 DECE CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccccc2O)cs1 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CCn1nnc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 294662921 ZJWYICVPHXCKEW-UHFFFAOYSA-N 313.405 2.137 10 10 DECE C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C 297466097 UITNSKYCQSTPKA-CHWSQXEVSA-N 321.396 2.212 10 10 DECE C[C@H](NC[C@H](CO)c1cccnc1)c1cc([N+](=O)[O-])ccc1O 806178352 FSYZVGAZMZOBOA-WCQYABFASA-N 317.345 2.122 10 10 DECE Cc1ocnc1C(=O)NCc1cc(Br)ccc1O 804735058 JUSONPLVNNLSLK-UHFFFAOYSA-N 311.135 2.381 10 10 DECE Cc1cc(Cl)cc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c1O 809704016 TWCQEOMNZBLETF-JTQLQIEISA-N 317.838 2.409 10 10 DECE CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(N2CCN(C)CC2)cc1 824636882 UUGVIOAFHJSWGS-IEBWSBKVSA-N 317.477 2.031 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(CF)CCOCC1 822264575 ANVLOVCQCNTAQZ-UHFFFAOYSA-N 308.397 2.477 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1c1ncon1 588407163 LTFHJSXHHDGVCU-HWPRWLFBSA-N 315.329 2.248 10 10 DECE C[C@H](NC(=O)c1cc(O)cs1)c1nnc2n1CCCCC2 732264836 YNEHLFWGAOCWOO-VIFPVBQESA-N 306.391 2.263 10 10 DECE Cc1cc(CN2CC[C@@H](CN3CCOC3=O)C2)ccc1N(C)C 830130353 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CN(C)c1cc(F)c(CN[C@H]2CCc3nc[nH]c3C2)cc1F 858165859 PESILCDQRISUQU-NSHDSACASA-N 306.360 2.401 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)nc1C1CC1 935945559 CBCYTQQBQKAAAV-UHFFFAOYSA-N 320.389 2.419 10 10 DECE COC(=O)[C@@]1(OC)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 862475813 YCAZKSIKERRUFB-OOFWQKGWSA-N 318.417 2.030 10 10 DECE CCN1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccccc1O 865269108 AELBUUHWAHSGBK-STQMWFEESA-N 307.463 2.402 10 10 DECE O=C(c1cncc(N2CCCC2=O)c1)N1Cc2cccc(O)c2C1 871208128 YSZGLNYFKLNVIW-UHFFFAOYSA-N 323.352 2.070 10 10 DECE CNC(=O)CCN(C)Cc1cc(C)cc(Br)c1O 781906627 DBBAGIDNIICNPY-UHFFFAOYSA-N 315.211 2.031 10 10 DECE CCOc1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1 895721895 NUUCQDONNIQLHN-HNNXBMFYSA-N 321.417 2.154 10 10 DECE c1cc(N2CCOCC2)ccc1CN1C[C@H]2CSC[C@H]2C1 895780165 DESQHWOTSKUGLF-IYBDPMFKSA-N 304.459 2.318 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCCN=[N+]=[N-])C1 1963818886 ZZILAJUQZALGBK-XHDPSFHLSA-N 323.397 2.450 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cnn2ccncc12 1165497330 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2.473 10 10 DECE O=C(O)c1cnn2c(O)cc(CN(C3CCCC3)C3CC3)nc12 738701678 FLJXNVSSLNFXJI-UHFFFAOYSA-N 316.361 2.040 10 10 DECE CN(C)c1ccc(/C=C\CN(C)[C@@H]2CCCCNC2=O)cc1 835029394 XKVWESYRRSTUDM-JTGQJZMRSA-N 301.434 2.366 10 10 DECE CN(C)c1ccc(/C=C/CNCCCN2CCCC2=O)cc1 835034297 SPNGHOLEALHKRP-ZZXKWVIFSA-N 301.434 2.368 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCn2ccnc21 836519064 MCVNYMJFTMJJSB-OAHLLOKOSA-N 313.405 2.236 10 10 DECE C[C@@H](NC(=O)N(C)CCF)c1ccc(N2CCOCC2)cc1 837883592 ZUMBRMAJGGYDKF-CYBMUJFWSA-N 309.385 2.195 10 10 DECE Oc1cc2c(cc1CN1CC[C@@H](Cn3ccnn3)C1)CCCC2 853525800 SYYATFDELWBDBF-CQSZACIVSA-N 312.417 2.385 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CC3CCOCC3)C2)cc1 855231828 OQJIWKIZJDWRTG-HNNXBMFYSA-N 318.417 2.207 10 10 DECE COc1cc(CNC[C@@H]2COCCN2C)c(O)c(C(C)(C)C)c1 858277780 MPYSBWPRFJBRGK-CQSZACIVSA-N 322.449 2.119 10 10 DECE CCCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1cccnc1 750117287 AQNGBHRMNSUJLB-SREVYHEPSA-N 324.384 2.293 10 10 DECE CN(C1CC1)S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 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Cc1ccc(C(=O)NC[C@]23C[C@H]2COC32CCC2)c(O)c1O 890173541 OWHYVVJRJQJKKO-MEDUHNTESA-N 303.358 2.095 10 10 DECE COc1cccc(C[C@@H](C)NC(=O)c2cccc(O)c2O)c1 790707867 QJAYVQAYHGMLOI-LLVKDONJSA-N 301.342 2.467 10 10 DECE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C1CCCC1 1177713626 WRJRKXAZBUUDQV-ZDUSSCGKSA-N 318.417 2.116 10 10 DECE CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)cc1Cl 688510295 WPJNGPPZSLPERH-SNVBAGLBSA-N 305.827 2.264 10 10 DECE O=C(NCC1(O)CCCC1)c1cc2cc(O)c(O)cc2s1 1338341402 KVEOYVXRBYWYIK-UHFFFAOYSA-N 307.371 2.347 10 10 DECE CC1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)N1 1263994133 HCIRKVQFTCFLSN-SOFGYWHQSA-N 318.417 2.490 10 10 DECE O=C(NCc1ccncc1C(F)(F)F)c1cccc(O)c1O 1297166581 CORULJJHQNRXHS-UHFFFAOYSA-N 312.247 2.442 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)COCc1cccnc1 1467841379 VUORSIYXNNLWCE-UHFFFAOYSA-N 321.373 2.106 10 10 DECE Cc1cc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)on1 1464218913 VWGNHTQMKKUPCJ-GFCCVEGCSA-N 302.330 2.300 10 10 DECE Cc1noc(Cl)c1CCC(=O)NCc1c(O)cccc1O 1558534124 NTJASZNTUOYUMK-UHFFFAOYSA-N 310.737 2.297 10 10 DECE Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)c(C(F)(F)F)n1 1633571478 KIBQUXUOCKNBOC-UHFFFAOYSA-N 315.251 2.031 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1c(F)cccc1[N+](=O)[O-] 1635959891 PTWMVIZGEBNQSH-UHFFFAOYSA-N 306.249 2.075 10 10 DECE COC(=O)c1oc(C(=O)NCc2c(O)cccc2F)cc1C 1635366785 LSSDDDAYOVLZAE-UHFFFAOYSA-N 307.277 2.149 10 10 DECE CN(CC(F)(F)CO)c1ccc(CO)cc1Br 1945721937 WUVRDOPSDRBVLO-UHFFFAOYSA-N 310.138 2.005 10 10 DECE Oc1c(Br)cc(Cl)cc1CNCC1(O)CC1 1970551408 BATBOBWSZJXOPN-UHFFFAOYSA-N 306.587 2.423 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc(N)ccc2O)C1 1977887978 KMKMIIAVBIREBX-CQSZACIVSA-N 321.421 2.464 10 10 DECE CCOCCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152906312 FQPZQPQZJGXYQA-UHFFFAOYSA-N 313.297 2.189 10 10 DECE CNCc1ccc(N2CC[C@H](O)[C@H](F)C2)c(Br)c1 2027969775 QVBJHRTWTWHTJW-YPMHNXCESA-N 317.202 2.078 10 10 DECE CS[C@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 383425039 DNTBNNPGSVBGAK-AWEZNQCLSA-N 314.476 2.316 10 10 DECE CN(Cc1ncccn1)c1ccc(CO)c(Br)c1 718903980 GJHDBJCENXLJCA-UHFFFAOYSA-N 308.179 2.368 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCCC(F)(F)C1 2062085374 FRGBGAJVCXAHSY-MRVPVSSYSA-N 301.289 2.245 10 10 DECE CCCc1cnc(NC(=O)c2cnn3c(O)cc(C)nc23)s1 2065206835 UKKVYIFAFOTWSK-UHFFFAOYSA-N 317.374 2.405 10 10 DECE CC(C)N(CCS(C)(=O)=O)[C@@H](C)c1ccc(F)cc1O 2170136484 AAGJXCRNPFOHPR-NSHDSACASA-N 303.399 2.347 10 10 DECE COc1ccc([C@@H](C)n2nc(C3CC3)c(C(=O)O)c2N)c(O)c1 2080003145 IVEVSSWKXLOPLH-MRVPVSSYSA-N 317.345 2.364 10 10 DECE CN(Cc1ccc(N)cc1)c1ncnc(N)c1Br 2053508683 IRPYOENZXOHOAZ-UHFFFAOYSA-N 308.183 2.040 10 10 DECE Cn1ncc(Br)c1COC(=O)Cc1ccc(N)cc1 2087324803 DHRXVKHULFKSMI-UHFFFAOYSA-N 324.178 2.051 10 10 DECE Cc1ncc(Br)c(=NCCc2ccc(O)c(O)c2)[nH]1 2091760868 VHGQFROORLBYPP-UHFFFAOYSA-N 324.178 2.035 10 10 DECE CN(C)c1ccc(OC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2211925942 WOYLUOIJULPAGZ-CYBMUJFWSA-N 324.377 2.109 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CCC(C)(F)F 2283699139 VOAVCEAXNBPJQA-GWNMQOMSSA-N 304.362 2.390 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2C[C@@H]3O)cc1Br 2315480229 JZPVXZHJFAAJCA-LQJRIPTKSA-N 312.207 2.291 10 10 DECE Cc1ccc(Cn2nncc2[C@H](C)O)c(O)c1Br 2327554341 UIMRXRCHJNIZHF-QMMMGPOBSA-N 312.167 2.156 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3cncn3)C2)c1O 175641303 JNNCGOSFQVRAQY-CQSZACIVSA-N 318.352 2.163 10 10 DECE Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)c(O)c1O 182509083 WQKMJFQALXYFNE-UHFFFAOYSA-N 312.325 2.087 10 10 DECE COc1cc(I)cc([C@@H](N)C2CC2)c1O 238366511 HLQUIKDBTIARBA-JTQLQIEISA-N 319.142 2.415 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1O 249639010 XKJCSQSDAPOTIH-AIFSMIFESA-N 309.793 2.255 10 10 DECE CN(C)CCOc1ccccc1C(=O)NCc1ccccc1O 299472482 HAUUZCDETRNFFM-UHFFFAOYSA-N 314.385 2.263 10 10 DECE NCc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 722225053 UVUUEISADBCYER-UHFFFAOYSA-N 312.778 2.305 10 10 DECE COc1cc(CN2C[C@H]3CNC[C@@H]3C2)c(O)c(C(C)(C)C)c1 824948006 AKJJGDQOLUNCGW-ZIAGYGMSSA-N 304.434 2.350 10 10 DECE CO[C@]1(C(=O)O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 901543695 XNZMWLKISJKFME-GOSISDBHSA-N 318.417 2.352 10 10 DECE CCc1nccn1[C@H](C)CC(=O)NCc1cccc(OC)c1O 843833850 XIYCIJKNAYHIFN-GFCCVEGCSA-N 317.389 2.427 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCC(C(=O)N(C)C)CC1 840909234 DKIFWYMQZPTNIA-UHFFFAOYSA-N 303.450 2.361 10 10 DECE O=C(Nc1ccc(Cl)nc1Cl)c1cc(O)nc(O)c1 1896212056 BCNGSIDSGCAWQL-UHFFFAOYSA-N 300.101 2.447 10 10 DECE Cn1ncc(C2CCC2)c1CNC(=O)c1c(F)ccc(O)c1O 857327773 BJJYNBIZZNEJDZ-UHFFFAOYSA-N 319.336 2.168 10 10 DECE C[C@H](NC(=O)N[C@H](CO)C1CCC1)c1ccc(N(C)C)cc1 852261238 OBIGZLMJTOKRAK-BLLLJJGKSA-N 305.422 2.274 10 10 DECE COC(=O)/C=C/c1ccc(N(CCCO)C2CC2)c([N+](=O)[O-])c1 754489804 YDUNWEXIAQQAJR-XBXARRHUSA-N 320.345 2.132 10 10 DECE COCCC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228155 WIVHSJAAEANBJB-HUUCEWRRSA-N 320.433 2.453 10 10 DECE CCN1CCC[C@H]1CNC(=S)N1Cc2cccc(O)c2C1 865259146 ZWNXWXNQTFLQRK-ZDUSSCGKSA-N 305.447 2.067 10 10 DECE O=C(NCc1ccccc1O)[C@@H]1CCCN1c1nccs1 769363864 WYAOIWXUWGEJSL-LBPRGKRZSA-N 303.387 2.134 10 10 DECE Cc1cc(O)c(CN[C@H]2CCN(CC(C)(C)O)C2)c(Cl)c1 865660241 QVLDWRORGAGWRL-LBPRGKRZSA-N 312.841 2.289 10 10 DECE CCN(CC(F)(F)F)C(=O)COC(=O)c1cc(O)cs1 869392164 HIHWCBPVVVDLRH-UHFFFAOYSA-N 311.281 2.021 10 10 DECE CCn1ncc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 862386463 QPXIPUFNHVFDRC-UHFFFAOYSA-N 324.388 2.031 10 10 DECE Cc1cc(C)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(O)n1 779476335 ZUTSRQJTZVLKKE-GQCTYLIASA-N 314.341 2.145 10 10 DECE CNc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccn1 1123477508 ZFUGRGQSAYLNHT-UHFFFAOYSA-N 313.405 2.189 10 10 DECE O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccsc1 1142533020 CEGZACQDWDTXLP-UHFFFAOYSA-N 315.354 2.479 10 10 DECE COc1cccc(C(=O)NCc2c(O)cccc2F)c1OC 1303877454 DMECPUPIMKDIPE-UHFFFAOYSA-N 305.305 2.479 10 10 DECE COc1ccc(Br)c(CNC(C)(C)CO)c1O 1964019081 IMVDKQQEXICFES-UHFFFAOYSA-N 304.184 2.024 10 10 DECE C[C@H](NC(=O)c1cc(Br)n(C)n1)c1ccccc1O 1587451554 ZRPNRCQHXZXCHO-QMMMGPOBSA-N 324.178 2.379 10 10 DECE CC(C)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1265981581 XJQCGOZYLXSEHK-UHFFFAOYSA-N 305.382 2.309 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncc2ccccn12 1532656456 STRIPKARUZJSEH-UHFFFAOYSA-N 322.368 2.440 10 10 DECE CCOc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1471661111 QTZGQUKZLYFGSR-UHFFFAOYSA-N 301.342 2.355 10 10 DECE CC(C)(O)[C@H](O)CN(Cc1ccco1)Cc1ccccc1O 1559634883 CCMGBLXIUSLQDA-MRXNPFEDSA-N 305.374 2.119 10 10 DECE C[C@@H](C(=O)NCc1c(O)cccc1O)n1cnc2ccccc21 1635847445 NZVPFEQRJFWEOR-NSHDSACASA-N 311.341 2.325 10 10 DECE COc1cccc(CNC(=O)c2n[nH]cc2C(F)(F)F)c1O 1566373783 FDEZYZNFSIALPH-UHFFFAOYSA-N 315.251 2.073 10 10 DECE COC(=O)Cc1ccccc1NC(=O)c1cccc(O)c1O 1566248065 DHZFQKDUCFYJQP-UHFFFAOYSA-N 301.298 2.066 10 10 DECE Cc1nc2ccccn2c1CNC(=O)/C=C\c1ccc(O)c(O)c1 1647297197 RSCNWAPRVYQELI-VURMDHGXSA-N 323.352 2.384 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)nn1CC(F)(F)F 1643156037 CLRYPRUBHICTPW-UHFFFAOYSA-N 315.251 2.417 10 10 DECE Nc1cc(F)c(Cl)cc1C(=O)NCc1cc(O)ccc1O 1593882430 XEDJEIGQPCAKDX-UHFFFAOYSA-N 310.712 2.403 10 10 DECE O=C(CCCCCO)NCc1ccc(N2CCSCC2)cc1 1596358581 GNCNYBVYLYMFLB-UHFFFAOYSA-N 322.474 2.409 10 10 DECE CC(C)(C)OC(=O)CSC[C@H](O)COc1ccc(N)cc1 166775165 ITHLQRWQTSQBSN-GFCCVEGCSA-N 313.419 2.083 10 10 DECE CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 1140466120 XROVLAIVCSKDQT-GFCCVEGCSA-N 303.811 2.055 10 10 DECE Cc1cc(CN)ccc1N(C)C[C@H](O)COCc1ccccc1 1916365488 XVJRIFFFWLBYJQ-SFHVURJKSA-N 314.429 2.468 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@H]1NCc1c(O)cccc1Cl 2141090323 XIOMCDOEHRTVEO-YPMHNXCESA-N 303.811 2.101 10 10 DECE CCCN(CCO)c1ccc(CNCCOC)c(Cl)c1 233043297 NPHPADKADNPVSS-UHFFFAOYSA-N 300.830 2.285 10 10 DECE CC1(C)C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1OCc1ccccc1 1939561086 XGJPRWFIMWCUSZ-CJNGLKHVSA-N 317.393 2.126 10 10 DECE Oc1cc(Br)ccc1CNCCc1nncs1 1945667116 LZWJDXRVJGNCAU-UHFFFAOYSA-N 314.208 2.339 10 10 DECE CN1C[C@@H](N)C[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1O 1952838238 IDEDRANTZAQYCY-GXFFZTMASA-N 307.394 2.443 10 10 DECE CC(C)CNS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152906947 LSZRQIVERZRKHG-UHFFFAOYSA-N 312.313 2.313 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 403621415 BGEGKIKKSQMDMU-VIFPVBQESA-N 302.306 2.428 10 10 DECE C[C@@H]1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)[C@@H]1C 706743102 ISCZBJSYYCYLLU-QHMRUWFYSA-N 310.195 2.246 10 10 DECE C[C@H](O)c1ccc(N2CC([C@H](F)CO)C2)c(Br)c1 2048029431 JVWZBJRXPBITER-QPUJVOFHSA-N 318.186 2.269 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@@]3(O)C2)cc1Br 2051366200 KPTDFDFESFUACB-GPCCPHFNSA-N 311.223 2.430 10 10 DECE CN[C@@H](C)c1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2071558407 MGJFSRGIAYDMAG-QMMMGPOBSA-N 314.183 2.195 10 10 DECE COC[C@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1O 2088493061 XULFXFNTWATVQD-LLVKDONJSA-N 305.205 2.119 10 10 DECE CC(C)C1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 2095126896 HFPISBURWPQUBA-ZDUSSCGKSA-N 324.222 2.493 10 10 DECE Cn1nc(Br)c(CN2CCC[C@@H](CN=[N+]=[N-])C2)n1 2219812706 FCHHXDVIBRUJPK-QMMMGPOBSA-N 314.191 2.100 10 10 DECE COc1ccc(N2CCC(C3(C)OCCO3)CC2)c(C(=O)O)c1 2235951928 IQWBUXKXKGKJEC-UHFFFAOYSA-N 321.373 2.373 10 10 DECE CNCc1ccc(N2C[C@H]3COC[C@H]2C3)c(Br)c1 2258867084 GNSPLOUCPMJIOJ-NWDGAFQWSA-N 311.223 2.394 10 10 DECE O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCC1CC1 2297702379 HTCPCNDQZPVCLP-UHFFFAOYSA-N 300.402 2.453 10 10 DECE Cc1ccc(CN2CC[C@@H](O)[C@H]2C)c(O)c1Br 2307438109 AEWRGVJIANTURW-MWLCHTKSSA-N 300.196 2.418 10 10 DECE OC[C@@H]1C[C@@H](NCc2cccc(Br)c2O)[C@@H]2C[C@H]12 2309228444 GNDQUUNEDGCYJL-SBFPOUOMSA-N 312.207 2.261 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H](O)[C@H]2C3)c(O)c1Br 2327797979 AVTIJWIVMBORJW-WCQGTBRESA-N 312.207 2.418 10 10 DECE OC[C@@](CSc1nccs1)(NC1CC1)[C@H]1CC1(F)F 2352090301 LNGFVJGWYBIKOH-KOLCDFICSA-N 306.403 2.374 10 10 DECE Cc1ccc(CN2C(=O)[C@@H]3C[C@]3(C)C2=O)c(O)c1Br 2352670998 HTCAFAGFXPCLEO-XPTSAGLGSA-N 324.174 2.358 10 10 DECE C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(F)cc1O 185485218 RJYONNWFLYJWLM-NHYWBVRUSA-N 306.385 2.218 10 10 DECE COc1cc2c(cc1Cl)N(C)C[C@H]2CCN1CCNCC1 527414540 IQPUZJUHMBENIZ-GFCCVEGCSA-N 309.841 2.177 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCNC23CCC3)c1 529367155 QATOUKWFUDMVSO-NHYWBVRUSA-N 319.405 2.046 10 10 DECE CN1CCCc2cc(CNC(=O)N[C@H]3C[C@H]4CC[C@H]3O4)ccc21 247791334 ZDFAFAFVYUCLQN-HLLBOEOZSA-N 315.417 2.188 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(N)cc2)[C@@H](N)C1 255983545 KNQIECLGZYEYSX-UKRRQHHQSA-N 305.422 2.107 10 10 DECE COc1cc(O)c(CN2CC(C3CCOCC3)C2)cc1OC 800530128 LAUPRSKRPNKFDZ-UHFFFAOYSA-N 307.390 2.268 10 10 DECE CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 812484307 DGZZKBUAPDDDEG-SCXUMTSISA-N 320.345 2.396 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)Nc1ccc(N)cc1)C2 818635129 FBHVPUGDVPRPOC-BPNCWPANSA-N 318.377 2.010 10 10 DECE C[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCO1 906155302 FFZUQUUHZOWAPP-MZBZXASESA-N 306.318 2.308 10 10 DECE COCCOc1cccc(CNC(=O)c2cc(O)cs2)c1 732272687 MKLVVTJZTMEVND-UHFFFAOYSA-N 307.371 2.409 10 10 DECE C[C@H](CN1CCOCC1)N(C)C/C=C/c1ccc(N(C)C)cc1 835054471 QAPYHYJDDWHNPP-FUTAKVPZSA-N 317.477 2.418 10 10 DECE COc1ccc(CNC(=N)NCCc2cccs2)c(O)c1 849025153 QMPCFEBZOOBYEG-UHFFFAOYSA-N 305.403 2.319 10 10 DECE Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=C1CCNCC1)CC2 852887977 FSOHWAGDUPISTF-UHFFFAOYSA-N 301.346 2.102 10 10 DECE Cn1ncc2c1CC(C)(C)CN(C(=O)c1cccc(O)c1O)C2 852984099 ROOGIJMZOJYPPC-UHFFFAOYSA-N 315.373 2.056 10 10 DECE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CC(F)(F)F)O1 852921698 LXPHBCQNSUMHGU-MFKMUULPSA-N 316.323 2.380 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2nc([C@@H]3C[C@@H]3C)no2)c1 865928305 WUOAKXYCCJARLH-ATZCPNFKSA-N 317.345 2.398 10 10 DECE COC(=O)[C@H](CNC(=O)c1cccc(O)c1O)C1CCCCC1 862955342 QDUOGFPPLIGURT-CYBMUJFWSA-N 321.373 2.197 10 10 DECE COc1ccc(O)c(CNC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1 895818031 AUMVWORYYLCXMZ-NUTKFTJISA-N 307.390 2.217 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)C1CN(CC(F)F)C1 791323622 SIMVKXOBWUABTB-UHFFFAOYSA-N 323.387 2.100 10 10 DECE CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccccc1O 1186435395 QLICIWRWMLJKRB-UHFFFAOYSA-N 302.305 2.420 10 10 DECE Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cc(O)ccc1O 1176755325 OSZRRGFIJVLBGQ-UHFFFAOYSA-N 320.276 2.384 10 10 DECE Oc1ccc(Br)cc1CNCC[C@@H](O)C(F)F 716766457 UYELNEIMWKABGO-SNVBAGLBSA-N 310.138 2.260 10 10 DECE CO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C12CCC2 1468089937 HXGXVSPPEJFKCB-GJZGRUSLSA-N 305.374 2.056 10 10 DECE COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(O)ccc2O)c1 1472868956 DQCREJCJIFLBFD-UHFFFAOYSA-N 318.285 2.405 10 10 DECE Oc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1O 236578325 FUFPTFKUIKXFQD-UHFFFAOYSA-N 302.237 2.283 10 10 DECE CC(C)(C)OC(=O)N[C@]1(c2ccc(F)cc2O)C[C@@H]1C(=O)O 1952763954 PTBHAMPOUIXAIB-BMIGLBTASA-N 311.309 2.356 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@H](c2c(O)cccc2[N+](=O)[O-])C1 1952850380 DLUWPOFAQWARIK-JTQLQIEISA-N 323.349 2.182 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@]21C(=O)N1CC(N=[N+]=[N-])C1 1985093520 AOSQMVCADVIQGQ-MEBBXXQBSA-N 321.381 2.297 10 10 DECE CS[C@H]1COC[C@@H]1NCc1c(O)cccc1Br 2026385544 NKEILHHMVXLAIV-JQWIXIFHSA-N 318.236 2.375 10 10 DECE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)C[C@H]1CO 700398382 GTFKGYRTNIPVQE-PWSUYJOCSA-N 314.223 2.396 10 10 DECE C[C@@H](N)c1cnc(Sc2nnnn2-c2ccccc2)s1 2159807820 QPGXSONRAQNPAM-MRVPVSSYSA-N 304.404 2.290 10 10 DECE COc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2053466502 RBFAZZXBOAKXHR-UHFFFAOYSA-N 323.395 2.371 10 10 DECE CCCN[C@@H]1C[C@H](OC)[C@H](OC)[C@H]1Sc1nccs1 2109806241 LASXTRLBAFRTPG-RHYQMDGZSA-N 302.465 2.406 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc(CN)c(Cl)c1 2113813960 MWDBWUQLVUMYBU-UHFFFAOYSA-N 304.843 2.060 10 10 DECE NCc1ccc(N2CC[C@H]3[C@H](C[C@H]3O)C2)c(Br)c1 2217896863 KVFCSEUYFLZIGI-UHIISALHSA-N 311.223 2.115 10 10 DECE COc1ccc(Br)c(CNC[C@H]2CC[C@H]2O)c1O 2220454563 ARFDGEHNTWDHPS-LDYMZIIASA-N 316.195 2.024 10 10 DECE CSc1ncc(CNC[C@H]2C[C@@H](N)CC(C)(C)O2)s1 2269316750 IHWRRYUFHDHEEX-NXEZZACHSA-N 301.481 2.240 10 10 DECE CN(C(=O)C=Cc1ccc(O)c(O)c1)C1CCC(CO)CC1 2308002171 BUTCDCXFTMUBJM-UHFFFAOYSA-N 305.374 2.121 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)cc1Br 2311887258 SXTNUGSRFKNUEG-YYESSMSJSA-N 311.223 2.286 10 10 DECE COc1cccc(CNC(=O)NCCCc2ccccn2)c1O 178417089 RHHMPCUKQSDXLW-UHFFFAOYSA-N 315.373 2.228 10 10 DECE CC[C@H](NN1CCOCC1)c1cc(Br)ccc1O 214499381 VMTGEBUOQUXSSZ-LBPRGKRZSA-N 315.211 2.443 10 10 DECE CCOC(=O)CC[C@@H](C)NC(=O)N(C)Cc1ccccc1O 89936490 AEKAJDSKFGQSPO-GFCCVEGCSA-N 308.378 2.265 10 10 DECE CCOc1cccc(CN2CCC(OCCCO)CC2)c1O 93694441 GJXOLGMCHXAMGQ-UHFFFAOYSA-N 309.406 2.154 10 10 DECE COc1ccccc1CCNC(=O)Cc1ccc(O)c(O)c1 244213420 VVOOSEAGFPLPCK-UHFFFAOYSA-N 301.342 2.008 10 10 DECE C[C@H](N[C@H]1CCC(=O)NC12CCC2)c1cc([N+](=O)[O-])ccc1O 282971906 DDXWLEMZHQKEDG-HZMBPMFUSA-N 319.361 2.152 10 10 DECE CC(=O)C(=O)COC(=O)c1c(F)cc(Br)cc1F 808526610 SADPUOQSIWACQQ-UHFFFAOYSA-N 321.073 2.042 10 10 DECE COc1cccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1O 290049024 HNCZPDUHURUBOE-QGZVFWFLSA-N 324.396 2.230 10 10 DECE COc1ccc(CNC(=O)C[C@H](O)Cc2ccccc2)c(O)c1 813555004 XKSXEFLWCZINIM-OAHLLOKOSA-N 315.369 2.011 10 10 DECE CC1CCN(c2ccc(CNC(=O)N[C@H](C)[C@H](C)N)cc2)CC1 841793408 KCQQJHLHLWALDT-LSDHHAIUSA-N 318.465 2.458 10 10 DECE Fc1cc(CNc2cccnn2)cc(F)c1N1CCOCC1 840325945 OWVIDWLSXBFJFG-UHFFFAOYSA-N 306.316 2.204 10 10 DECE C[C@H]1CCNC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 841978612 STJNUMXJAJMSSQ-BLLLJJGKSA-N 317.433 2.068 10 10 DECE CCN(CC)c1ccc(CN2CCO[C@@H]([C@@H](C)O)C2)cc1F 840976569 DQCORGICZKLBTJ-CXAGYDPISA-N 310.413 2.254 10 10 DECE COc1ccc(O)c([C@@H](C)NCC(C)(C)CS(C)(=O)=O)c1 926952605 BUSGJSIFJWXJNI-LLVKDONJSA-N 315.435 2.122 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(N)c(F)cc1O 687755629 SLDJFBIWURZVKT-JTQLQIEISA-N 314.313 2.154 10 10 DECE Cc1cncc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1 850550784 QROIQQYTYVVSNG-LLVKDONJSA-N 302.334 2.292 10 10 DECE COc1cccc([C@H](C)N[C@@H](C)CN(C)CCCN(C)C)c1O 850502638 YMLYAEHTJZUONS-GJZGRUSLSA-N 323.481 2.323 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NC/C=C(\C)C(=O)OC 925025262 BXPMTGFQXANFPQ-UKTHLTGXSA-N 320.389 2.433 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H]3C3CC3)C2)cc1 854298037 UXWFVBBYAMCHEF-RHSMWYFYSA-N 315.417 2.468 10 10 DECE Cc1cc(CC(=O)NN2CCOC2=O)c(C)n1-c1ccccc1 862704268 DHOWZNSWHWTRKU-UHFFFAOYSA-N 313.357 2.120 10 10 DECE CCCc1nc(COc2ccc(N(C)C)c(C(=O)OC)c2)no1 865396367 PXUSWBMUZQMMRZ-UHFFFAOYSA-N 319.361 2.454 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1nc([C@@H]2C[C@@H]2C)no1 865936132 GIKDKZRQXWYXEH-SMDDNHRTSA-N 314.389 2.497 10 10 DECE CC[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 787488610 BNTWFJBFWVXDJC-NSHDSACASA-N 306.284 2.280 10 10 DECE CC1(C)[C@@H](O)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897450210 GPNARQIMPVDQIW-OLZOCXBDSA-N 307.371 2.202 10 10 DECE COc1ccc(CNC(=O)c2nnc(C(C)C)s2)c(O)c1 799633629 SIKBKSHYEMWZBK-UHFFFAOYSA-N 307.375 2.306 10 10 DECE O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccc(O)cc1 1146232517 MVOHIEURCQJWKR-UHFFFAOYSA-N 305.717 2.250 10 10 DECE CN1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O 793067712 SEMIDJPHRXQDJI-UHFFFAOYSA-N 301.312 2.003 10 10 DECE CCN(C(C)=O)c1ccc(NC(=O)c2cccc(O)c2O)cn1 1166356783 AFGIBNYBIIGRRN-UHFFFAOYSA-N 315.329 2.118 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc(OCC2CC2)nc1 1176748557 WRCPGOHRPSSGNZ-UHFFFAOYSA-N 314.341 2.212 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)COC(C)C)cc1C 1265757824 XUOOAANLNHAXQP-AWEZNQCLSA-N 308.422 2.023 10 10 DECE COc1ccc(F)c(OC)c1C(=O)NCc1cccc(O)c1O 1455314538 GVDKRUJFKLWBQR-UHFFFAOYSA-N 321.304 2.184 10 10 DECE Cc1cccc(OC(=O)CCN2C(=O)CSC2=S)c1C 1865774344 BTYNEPKVJGTAIF-UHFFFAOYSA-N 309.412 2.459 10 10 DECE O=C(NCc1c(O)cccc1O)c1csc([C@@H]2CCCO2)n1 1635847886 VQGSIIPJKXOGED-ZDUSSCGKSA-N 320.370 2.336 10 10 DECE CC(C)c1nccn1CCC(=O)NCCc1ccc(O)c(O)c1 156627751 HOEFMCYSYHTZTQ-UHFFFAOYSA-N 317.389 2.167 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCN=[N+]=[N-])[C@H]2C[C@H]21 1902970203 WKYFBUJHOMWTCK-QJPTWQEYSA-N 323.397 2.449 10 10 DECE Oc1c(Br)cccc1CNCC[C@@H]1COCCO1 1967716500 KTNQFRGIVVXLNJ-LLVKDONJSA-N 316.195 2.050 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H](N)Cc2ccc(O)c(O)c2)C1 1953062409 GRPJETDNAXQGTK-JHJVBQTASA-N 322.405 2.271 10 10 DECE OC[C@H]1C[C@H]1NCc1cc(Cl)cc(Br)c1O 1975533723 ASASCIXMJOCGPE-GMSGAONNSA-N 306.587 2.279 10 10 DECE CCCNCc1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2152286659 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10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(=O)n(C)c1 734517438 KXPKYCKDIMSOSE-UHFFFAOYSA-N 314.389 2.081 10 10 DECE COC(=O)[C@@H](F)CNC(=O)c1sccc1-n1c(C)ccc1C 838066608 BUQCOXRJENLSMR-NSHDSACASA-N 324.377 2.397 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 832266287 DOINGVHXLMFTIN-QSJFSLAZSA-N 301.434 2.305 10 10 DECE O=C(NCc1ccccc1O)Nc1cnn(-c2ccncc2)c1 747546598 KQXJDOISJBOAEF-UHFFFAOYSA-N 309.329 2.295 10 10 DECE C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C2(CCC2)CO1 846510322 FEKSIAJKXSTJKR-FVOPLDGLSA-N 303.358 2.281 10 10 DECE COC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2F)c1C 928708232 FAHDAQAUSXZBRK-UHFFFAOYSA-N 320.320 2.193 10 10 DECE CO[C@@H]1COCC[C@H]1CC(=O)NCc1cc(Cl)ccc1O 846477541 RYGMZNCLKWPYHE-IINYFYTJSA-N 313.781 2.103 10 10 DECE CN1C(=O)C(C)(C)c2cc(C(=O)NCc3ccc(N)cc3)ccc21 850712297 WBFIKZSUVPBVOA-UHFFFAOYSA-N 323.396 2.453 10 10 DECE COc1ccc(N2CC[C@@H](NCc3c(C)cnn3C)C2)cc1 850347640 VEEOSVJLLUAAHS-CQSZACIVSA-N 300.406 2.106 10 10 DECE C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1ccc(N(C)C)cc1 852261997 XLMQNEILTAFUAS-CYBMUJFWSA-N 304.438 2.017 10 10 DECE CC(C)(O)CN1CC[C@H](NCc2c(O)ccc(Cl)c2F)C1 865660840 XWYHUYWUVYTXEH-JTQLQIEISA-N 316.804 2.120 10 10 DECE CCO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 867505544 XJQKIQGERKXIBI-LXZKKBNFSA-N 320.433 2.371 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1 868899459 VMLJFFVDURJZHZ-YAMSLAJTSA-N 308.378 2.327 10 10 DECE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(F)c1O 787422326 DZYZZDFSURRUIY-KDDOJWQBSA-N 312.772 2.271 10 10 DECE Cc1cccc(O)c1CNCCN1C[C@H]2CCCCN2C1=O 895347009 YFRCWKUEEKPUMW-CQSZACIVSA-N 303.406 2.080 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(O)c(O)c1 1135690112 QULDYASVZOCKBW-UHFFFAOYSA-N 314.385 2.365 10 10 DECE O=C(O)[C@@H](CCF)NCc1c(O)cccc1Br 1331845066 GYGFYFHLCBJGAE-SECBINFHSA-N 306.131 2.057 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)CF)C2)cc1 1333777282 HNTPMLRTFPZAPJ-GFCCVEGCSA-N 309.385 2.321 10 10 DECE 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154612820 HVDOIMIYZIDUIP-MNOVXSKESA-N 315.464 2.228 10 10 DECE C[C@H](CCN)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1915384438 NXKPMDSKTUKKFS-CYBMUJFWSA-N 314.385 2.478 10 10 DECE C[C@H](CNC(=O)Cc1ccc(N)cc1)CNC(=O)OC(C)(C)C 1977688716 GQJZFXZSYLJKAU-GFCCVEGCSA-N 321.421 2.088 10 10 DECE CS[C@H]1COC[C@H]1NCc1cccc(Br)c1O 2026378226 NYQSWDGDFXLVKU-MNOVXSKESA-N 318.236 2.375 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1N 2191759498 DJZCVFIPVIXVLY-UHFFFAOYSA-N 311.794 2.330 10 10 DECE NCc1ccc(N2CC[C@@H](O)[C@H]2C2CC2)c(Br)c1 2067013330 SQKCFZZWADZMNA-ZIAGYGMSSA-N 311.223 2.257 10 10 DECE CC1(C)CCCN(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1 2234175245 ATQWJBIAZZKJAZ-WDEREUQCSA-N 301.416 2.174 10 10 DECE NCc1ccc(N2CC[C@@]3(O)C[C@@H]3C2)c(F)c1Br 2254026032 VUNAMDUIQUBBBU-NOZJJQNGSA-N 315.186 2.008 10 10 DECE CCN[C@@H](c1ccccc1O)[C@H](O)CN(C)C(=O)OC(C)(C)C 2244716899 IHOAIJGHCMPYRH-CABCVRRESA-N 324.421 2.271 10 10 DECE CSc1ncc(CNc2nc(NN)ccc2[N+](=O)[O-])s1 2284712163 MCEWKXGXXSZFIL-UHFFFAOYSA-N 312.380 2.066 10 10 DECE O=C(C=Cc1ccc(N2CCOCC2)cc1)OC1CCOCC1 2305201440 RKZPQJQVAYEHSW-UHFFFAOYSA-N 317.385 2.259 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@H](C2)[C@@H]3O)c(O)c1Br 2327624421 QVBLLYXCKLGSEV-PJXYFTJBSA-N 312.207 2.276 10 10 DECE Cc1ccc(CNC(=O)c2ncccn2)c(O)c1Br 2353081261 UUMJHPLDCHGXSC-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)OC)cc1F 108996905 AFXNKVIHASZOOS-QWHCGFSZSA-N 322.380 2.097 10 10 DECE C[C@@H](c1cc(Br)ccc1O)N1CC[C@H](C(N)=O)C1 300420064 LSPUJCXBXOGHJC-IUCAKERBSA-N 313.195 2.023 10 10 DECE C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1C 301934382 QHOJATGSQPLUBX-ZJUUUORDSA-N 305.334 2.408 10 10 DECE O=C(Nc1cn[nH]c1)c1cccc2c1C(=O)c1ccccc1C2=O 175302456 ZLOKXVDJKUIUEP-UHFFFAOYSA-N 317.304 2.437 10 10 DECE CN(C)c1ccc([C@](C)(NCc2cccs2)C(N)=O)cc1 37946380 ZOUCNBXCZVXFSS-INIZCTEOSA-N 303.431 2.304 10 10 DECE NC(=O)c1ccc(/N=N\c2c(CC(=O)O)nc3ccccn23)cc1 71581171 NCFUCJDKMSULHS-VXPUYCOJSA-N 323.312 2.476 10 10 DECE COCCN(Cc1ncccn1)c1ccc(OC)c(OC)c1 192110744 FSVAALMHFODIKH-UHFFFAOYSA-N 303.362 2.147 10 10 DECE O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(O)c1O 193001539 JMVRDRAKLKWAPX-UHFFFAOYSA-N 304.327 2.326 10 10 DECE Cc1ncc(Br)c(=O)n1CCc1ccc(N)cc1 90767689 FVFHKPKTPOMCJG-UHFFFAOYSA-N 308.179 2.139 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@@H](C)c2c(C)cc(C)cc2O)C1 294630133 FTYNGDOIRJQPOT-UONOGXRCSA-N 305.422 2.463 10 10 DECE CC(=O)C(=O)COC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 808534983 XXCHQZFJODTONR-SECBINFHSA-N 310.733 2.250 10 10 DECE COC[C@@]1(C(=O)OC)CCCN1Cc1cc(C)c(C)cc1O 827488437 HEWKGOFPGZLLRR-QGZVFWFLSA-N 307.390 2.163 10 10 DECE COC(=O)[C@]1(F)CCN(Cc2c(O)cc(C)cc2Cl)C1 840923060 RJJUCFQMCKONRT-AWEZNQCLSA-N 301.745 2.441 10 10 DECE Cc1cc(C(=O)NCc2ccnn2C)c(C)n1-c1ccccn1 914848775 OOIRJCZASGZZDY-UHFFFAOYSA-N 309.373 2.153 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)c1 844314263 YXBQNOMXKCALHJ-MFKMUULPSA-N 306.362 2.035 10 10 DECE COc1cc(N2CC[C@@H](C)[C@@H](C(=O)O)C2)c([N+](=O)[O-])cc1OC 843037289 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COc1cccc(CNC(=O)NCCCC2CCOCC2)c1O 838627913 KOOSYEPFKBVRJG-UHFFFAOYSA-N 322.405 2.407 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2COCC2(C)C)c1 836638996 KZYVOMDJHRHCKG-QMTHXVAHSA-N 308.378 2.186 10 10 DECE Oc1cccc2c1[C@H](N[C@H]1CNCC3(CCOCC3)C1)CC2 925796124 KSPOMKKTLAEJSC-HUUCEWRRSA-N 302.418 2.128 10 10 DECE COC[C@H](N[C@H](C)c1cccc(OC)c1O)C1CCOCC1 850493369 GLGSIZWEPSVGHZ-DOMZBBRYSA-N 309.406 2.493 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cnc4cnccn34)C2)cc1 850347828 YLXBARCORIMBQX-CQSZACIVSA-N 323.400 2.106 10 10 DECE C[C@H]1CCC[C@H](CNCc2ccc(N3CCN(C)CC3)cc2)O1 850379518 RSRPQEVYWYDCQS-QFBILLFUSA-N 317.477 2.486 10 10 DECE Cc1ccc(O)c(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)c1 869410501 KXICFHLFOMTEMP-CQSZACIVSA-N 301.346 2.205 10 10 DECE CC(=O)c1cc(F)cc(CNC2(CC(N)=O)CCCCC2)c1O 934824316 XOBPTVSCRYTZOB-UHFFFAOYSA-N 322.380 2.402 10 10 DECE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cc2n(n1)CCCC2 898394629 PDNWTRJKYWCBEH-VIFPVBQESA-N 319.336 2.261 10 10 DECE COc1cc(Cl)cc(CNCC[C@H](O)C(F)(F)F)c1O 717412584 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10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ncccn1)C1CC1 1645104694 PUUBKJXIPHQRJC-QTONRWBISA-N 311.341 2.169 10 10 DECE O=C(NCc1c(O)cccc1F)c1c[nH]nc1-c1ccncc1 1596913035 SWCXFIICTVTVIW-UHFFFAOYSA-N 312.304 2.246 10 10 DECE CN(C)c1ccc([C@H](CNC(=O)C2CC2)N2CCCC2)cc1 5097939 JZZBCKBQKIMIBK-KRWDZBQOSA-N 301.434 2.416 10 10 DECE C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H](C)S1(=O)=O 1664906198 RLJYHLRHDYXEBT-AOOOYVTPSA-N 303.811 2.053 10 10 DECE COCC1CN(c2cc(Br)c(CN)cc2F)C1 1916897732 YYLQWKOXMBXSJB-UHFFFAOYSA-N 303.175 2.130 10 10 DECE CC1(C)[C@H](CNCc2cc(Cl)ccc2O)CCS1(=O)=O 1967857903 LMFXKXLUZTWCID-NSHDSACASA-N 317.838 2.349 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](N)C1CC1 1951943240 KTXNFCCHCGRBPU-IUODEOHRSA-N 322.405 2.271 10 10 DECE COc1cccc([C@@]2(C)CN(C(=O)OC(C)(C)C)CCN2)c1O 1952068445 OPRRVPYITLAFEF-QGZVFWFLSA-N 322.405 2.456 10 10 DECE COc1cc([C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc(O)c1O 1952223679 CWVPBTPUJGLJGW-NSHDSACASA-N 323.345 2.357 10 10 DECE 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CC(=O)C(=O)[C@]1(O)CCC(F)(F)C[C@H]1OCc1ccccc1 1959250648 WQTFKMQQJOEVAM-CJNGLKHVSA-N 312.312 2.280 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]12CCOC2 1325814913 OOTPPOQGXSSDSI-QGZVFWFLSA-N 303.406 2.135 10 10 DECE COc1cccc(CS(=O)(=O)NCc2cc(C)ccc2O)c1 1328769729 NBPPHNHLTVGEHT-UHFFFAOYSA-N 321.398 2.329 10 10 DECE COc1cc(OC)c2c(c1)C(=O)[C@@H]1C[C@](C)(OC)OC[C@H]1C2=O 198721700 XWDPPCCHTXTSRZ-PSTGCABASA-N 320.341 2.098 10 10 DECE C[C@@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)cc1Cl 716100404 HARZCZLKNSTKJB-OIKLOGQESA-N 316.854 2.372 10 10 DECE COc1ccc(CNCCN(C)C(=O)Cc2ccc[nH]2)cc1C 1267471632 NHQUZTZGCIGISB-UHFFFAOYSA-N 315.417 2.122 10 10 DECE Cc1ccsc1[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 1466339596 DUACQIGKDUNNFT-FHMRSRPSSA-N 319.382 2.331 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCc1cccc(F)c1F 1628996376 MXXMQDFFMHBBEO-UHFFFAOYSA-N 307.296 2.277 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2nsnc2O)cc1F 1627604926 UUOYWHUSSVJHCA-UHFFFAOYSA-N 324.381 2.159 10 10 DECE CCC(CC)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1635113347 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CCN1C[C@@H]2C[C@H]1CN2c1ccc(CNC)cc1Br 2131057665 ZXVXCFDXYAPVSP-STQMWFEESA-N 324.266 2.451 10 10 DECE CCCN(CCCOc1ccc(N)cc1)S(=O)(=O)CC 1913840978 CAPBZIXXGCYQLV-UHFFFAOYSA-N 300.424 2.099 10 10 DECE CN(CC1(O)CCC1)c1cc(Br)c(CN)cc1F 1914578966 SEQIYQUBKUUCDH-UHFFFAOYSA-N 317.202 2.398 10 10 DECE CON(CCNCc1cccc(F)c1O)C(=O)OC(C)(C)C 1928131136 RHVARCNXGFCDRD-UHFFFAOYSA-N 314.357 2.419 10 10 DECE C[C@@H]1C[C@H](NCc2cccc(Cl)c2O)CCS1(=O)=O 1967816946 JJCIGQYQYOSYLO-MWLCHTKSSA-N 303.811 2.101 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1c1c(O)cccc1O 1952152951 PAFAXVOSYRUPJZ-GHMZBOCLSA-N 308.378 2.497 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1952487746 BNSWXKRPMLPTDK-STQMWFEESA-N 322.405 2.367 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(N)ccc1O 1977889985 JQPXPBHPVMJHDY-AWEZNQCLSA-N 321.421 2.464 10 10 DECE CN1CCc2cc([C@]3(N)CCN(C(=O)OC(C)(C)C)C3)ccc21 1977946123 SZEUQLKNHXJKMX-SFHVURJKSA-N 317.433 2.474 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1985093974 ICHFFHOXGITYDH-TUAOUCFPSA-N 323.397 2.401 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1985102023 AUCYFFWOJMRYIS-IJLUTSLNSA-N 323.397 2.258 10 10 DECE COc1cc(Cl)cc(CN[C@@](C)(CO)C(F)(F)F)c1O 2161367148 WVRIHBMEJXWCMI-NSHDSACASA-N 313.703 2.457 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCc3ccsc3C2)cc1 712319293 PMKMNYWYDQWGKM-UHFFFAOYSA-N 308.428 2.218 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H](SC)C3)c(Cl)cc21 382936457 LPUWXMGTZITWPU-AMIZOPFISA-N 311.838 2.494 10 10 DECE CCNC(=O)c1cn([C@@H](C)c2cc(C)c(C)cc2O)nc1O 2070632795 KZDLHPVPQHZOGB-NSHDSACASA-N 303.362 2.270 10 10 DECE CC[C@H](N)CN(C)Cc1cc(Br)cc(F)c1O 1236883923 IFAVTQHCSICVQA-JTQLQIEISA-N 305.191 2.463 10 10 DECE N[C@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2188786157 DCRGOCZDUGFESQ-GXSJLCMTSA-N 319.188 2.075 10 10 DECE CNCc1ccc(N2CC[C@@H]3C[C@@]3(O)C2)cc1Br 2051363750 UWOQEZOZKNCKIS-BXUZGUMPSA-N 311.223 2.130 10 10 DECE C[C@@H](N)c1cc(F)c(N2CC[S@](=O)C(C)(C)C2)c(F)c1 2194706848 DMNWBCKRUBEJTL-YBYGRFCBSA-N 302.390 2.332 10 10 DECE CN(C)C1CC2(C1)CN(c1ccc(CN)cc1Br)C2 2108166646 AZZITRIRYUHZPQ-UHFFFAOYSA-N 324.266 2.438 10 10 DECE Cn1nc(COC(=O)Cc2ccc(N)cc2)cc1Br 2112036971 IGBAJTQVGKOIMN-UHFFFAOYSA-N 324.178 2.051 10 10 DECE Cc1cccc(CNS(=O)(=O)CCCC(F)(F)F)c1O 2204609114 HGMLOAFMTOIUCM-UHFFFAOYSA-N 311.325 2.463 10 10 DECE C[C@H](NCCCS(=O)(=O)C(F)F)c1ccc(F)cc1O 2237645919 XSQVAQBLGQZTMC-QMMMGPOBSA-N 311.325 2.209 10 10 DECE CCN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=S 2293115975 BJDXFCQSCIUNGO-UHFFFAOYSA-N 323.395 2.371 10 10 DECE CC1=CN2C(=N)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)N=C2S1 2296808088 RHGZIEVNZCTKMH-UHFFFAOYSA-N 304.287 2.355 10 10 DECE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)C=Cc1ccccc1 2297580174 XOMOYLOADHPQTO-UHFFFAOYSA-N 311.337 2.452 10 10 DECE O=C(/C=C/c1cnc2ccccc2n1)N1CCCn2nccc21 491415427 KNADUDMYOMFTRY-VOTSOKGWSA-N 305.341 2.276 10 10 DECE C[C@@H](N[C@H]1CCCOC1)c1ccc(N2CCC(O)CC2)cc1 177927358 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CN(C)c1ccc(CN(Cc2nc(N(C)C)no2)C2CC2)cc1 281946592 JFTYNWPPQSVJSP-UHFFFAOYSA-N 315.421 2.366 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 295567222 IRCJVBLQEDMOBS-INIZCTEOSA-N 311.385 2.103 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C(C)C)c2C)c1 815834966 GMXQTZYNYNQRLV-SNVBAGLBSA-N 318.377 2.373 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@H](Cn3ccnn3)C2)cc1 826852255 KMDGRTZHMZNGQU-IDOMTICXSA-N 311.433 2.379 10 10 DECE COc1ccc(O)c([C@@H](CC(F)(F)F)N2CCNCC2)c1 575288324 XSILLWKSQCZNBW-GFCCVEGCSA-N 304.312 2.300 10 10 DECE CO[C@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 826952861 VJMDQVIEJRJLSW-WLPBJKJWSA-N 304.434 2.239 10 10 DECE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(C2CCCC2)n1 910957267 QNXMRMNNEJRJGV-UHFFFAOYSA-N 315.373 2.419 10 10 DECE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@](C)(CCF)C1=O 849354742 VISLEIKDMGGIEZ-BZNIZROVSA-N 307.369 2.484 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)OC[C@H]3CCCO3)C2)cc1 849417175 KYTWLDDJBLPNSA-XJKSGUPXSA-N 320.389 2.179 10 10 DECE Cc1cc(O)c(CNCC2(S(C)(=O)=O)CCC2)c(Cl)c1 840941368 VPGXWYFKAJCLCS-UHFFFAOYSA-N 317.838 2.411 10 10 DECE CN1CCCc2cc(CN[C@H]3CCOC34CCOCC4)ccc21 924873507 XHYMFLJYBMICEY-SFHVURJKSA-N 316.445 2.497 10 10 DECE COC[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C 925443673 ADVQDNKQMVDDKW-AWEZNQCLSA-N 320.389 2.075 10 10 DECE COC(=O)c1coc(C(=O)NCc2ccc(N(C)C)cc2C)c1 759096221 RVYQTXHVKUTQCF-UHFFFAOYSA-N 316.357 2.371 10 10 DECE CC(C)[C@H](N)CCNC(=O)NCc1c(O)ccc2c1CCCC2 851678058 NQRJSLCLNKBVST-MRXNPFEDSA-N 319.449 2.444 10 10 DECE CC[S@@](=O)CCNC1CCN(c2ccc(OC)cc2)CC1 765947756 VCKHNGFHFZIJPL-OAQYLSRUSA-N 310.463 2.022 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCNC23CCC3)c1 863541238 HPOMYOHJHQIZCN-NHYWBVRUSA-N 304.390 2.114 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 868911231 NFAUQDCVUHOTDM-OADFYJJDSA-N 322.792 2.268 10 10 DECE CN1CN(Cc2ccc(OCc3ccccc3)cc2O)CC1=O 765635536 KLYYOHGJCJTXMQ-UHFFFAOYSA-N 312.369 2.203 10 10 DECE C/C=C/C[C@@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 761361553 NIRFFOXIPJLJDQ-KZSQQDEKSA-N 311.385 2.449 10 10 DECE C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1F 778229663 AFNBFOLEWZHVGR-CJNGLKHVSA-N 307.413 2.049 10 10 DECE Cc1cc(C)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(O)n1 779476339 ZUTSRQJTZVLKKE-XQRVVYSFSA-N 314.341 2.145 10 10 DECE CN(C)C1(C)CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 871359896 YXGVAPLIBJMRHX-FNORWQNLSA-N 318.417 2.490 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1895874761 BZNJOTCPZJNXJR-MNOVXSKESA-N 323.397 2.449 10 10 DECE COC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(Cl)c1O 895861604 FKFPCQWVIBVWKG-YPMHNXCESA-N 313.781 2.246 10 10 DECE Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)ccn1C 798925905 FKUVYUDTDIDZSL-UHFFFAOYSA-N 313.401 2.100 10 10 DECE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1c1ccc(N)cc1 1959571380 YIVJBXJBPQAOHD-MWLCHTKSSA-N 301.312 2.305 10 10 DECE CCN(CC)CC[C@H](C)NC(=O)NCc1c(O)cccc1F 1263793422 TWSUJHJBOHAECV-LBPRGKRZSA-N 311.401 2.451 10 10 DECE CCNc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 1347913771 IBXWAYBCWTYACF-UHFFFAOYSA-N 318.352 2.358 10 10 DECE 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Cc1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)o1 33316868 CWRYGAFZJGFLJO-WQLSENKSSA-N 324.427 2.079 10 10 DECE Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)cc1 36283821 APSFHDBFXZGQPO-UHFFFAOYSA-N 311.294 2.117 10 10 DECE C[C@H](NCCNC(=O)c1ccccc1O)c1ccccc1O 183480906 SUIDWAUOYVEDAD-LBPRGKRZSA-N 300.358 2.178 10 10 DECE Nc1ccc(OCC(=O)N2CC[C@@H](SC(F)F)C2)cc1 2365716075 MKUQJELGSKOKCB-LLVKDONJSA-N 302.346 2.204 10 10 DECE COc1ccc(N2CCN(C[C@](C)(O)C(C)C)CC2)cc1F 187147726 DNHFIINOYZQWEB-KRWDZBQOSA-N 310.413 2.363 10 10 DECE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1 381079960 SIXHVDQDMIRDDA-ZDUSSCGKSA-N 314.385 2.348 10 10 DECE O=C(c1cccc(O)c1O)N1CCCC[C@H](N2CCCC2)C1 193046632 DVEDWXCYTQCNHP-ZDUSSCGKSA-N 304.390 2.188 10 10 DECE CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c1 529677273 OOKDYFFVDACCOZ-LRAJWGHMSA-N 309.431 2.276 10 10 DECE C[C@H](N[C@@H]1CON(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O 722503719 YGBBDJPFIIXHDQ-QWRGUYRKSA-N 324.377 2.299 10 10 DECE CC(C)[C@H]1C(=O)NCCN1C/C=C\c1ccc(N(C)C)cc1 835025377 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10 10 DECE OC1([C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)CC1 930691453 BCJDIZQMOVEDEX-GOSISDBHSA-N 316.445 2.403 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cc2n(n1)CCCC2 862026153 HCQXWGDZLUVGQL-UHFFFAOYSA-N 322.368 2.403 10 10 DECE CC[C@@H]1NCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 861556706 FRMRUYFPTLDECP-DLBZAZTESA-N 316.449 2.227 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2 865693945 OULPNDSSIGMLPT-JAQSECSASA-N 314.429 2.036 10 10 DECE CC[C@@H]1NCC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 863543735 XBBKQZRYDIVFII-RRQGHBQHSA-N 321.440 2.453 10 10 DECE Cc1cccc(CNC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1O 787304202 RTOBZZMUVAHANK-FMCGLGKHSA-N 311.425 2.299 10 10 DECE O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc2cc(O)c(O)cc2s1 898788696 CRIVLUOIBNJXDD-KBPBESRZSA-N 319.382 2.346 10 10 DECE CC[C@]1(O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897457732 JAAYWLHEHJNTOC-HNNXBMFYSA-N 307.371 2.300 10 10 DECE COC(=O)Nc1ccc(CNC(=O)c2cccc(O)c2O)cc1 1136245827 ASVXFYMVBBAPJX-UHFFFAOYSA-N 316.313 2.206 10 10 DECE C[C@H]1COCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897197814 KMSQAXQFAZXTAP-SECBINFHSA-N 307.371 2.421 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNCc1cccc(O)c1O 1895220677 HJFNXENOZLLXDO-OLZOCXBDSA-N 322.405 2.348 10 10 DECE CC[C@H](CNCc1c(O)cccc1Br)C(=O)OC 895139476 LWWYCKMRNHJLGJ-SECBINFHSA-N 316.195 2.444 10 10 DECE COc1cc(C)cc(CN2CCCN(C(=O)C3CC3)CC2)c1O 780473939 UUFSQHPNBNKWPC-UHFFFAOYSA-N 318.417 2.154 10 10 DECE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(C)cc(C)c1O)C2 794684369 WJBOXNQZIGNYNT-MAUKXSAKSA-N 319.401 2.021 10 10 DECE C[C@H]1CN(c2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F 1959568595 RWIDVQZOSLLTKB-CABZTGNLSA-N 301.312 2.162 10 10 DECE COc1c[nH]c(C(=O)NCc2c(O)ccc3ccccc23)cc1=O 1179032543 LITTZFYCFVDZHB-UHFFFAOYSA-N 324.336 2.172 10 10 DECE CN(C[C@]12COC[C@H]1C2)c1ccc(CN)cc1Br 689290699 HSGUAZLWZOOFLY-BXUZGUMPSA-N 311.223 2.381 10 10 DECE C[C@H](NCc1cc(Br)cc(F)c1O)c1nc[nH]n1 715811487 FWBXFYLFJLCQSF-LURJTMIESA-N 315.146 2.263 10 10 DECE C/C(=C\c1cccnc1)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 1264945919 ZQGYHGOZOKKJQZ-LRFDDAOPSA-N 321.380 2.176 10 10 DECE O=C(NCc1cccc(O)c1O)c1c(F)ccc2nc[nH]c12 1455318056 ZEILFWFVNLMQPO-UHFFFAOYSA-N 301.277 2.043 10 10 DECE COC(=O)CCNCc1cc(Cl)cc(Br)c1O 708090133 NRSKBJCMOIAGDC-UHFFFAOYSA-N 322.586 2.461 10 10 DECE CN1CCNC[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1O 1536004160 DWKPKXXIHKHJSA-ZDUSSCGKSA-N 307.394 2.315 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2cscn2)cc1C 1568984751 ZMHCRGKCCDZWLT-GFCCVEGCSA-N 319.430 2.368 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccnc(OCC(F)F)c1 1639292967 XLXQURVSOPSYDF-UHFFFAOYSA-N 324.283 2.067 10 10 DECE CN(C)CCc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 1566359720 LIEVWVZBOCOKHL-UHFFFAOYSA-N 314.385 2.132 10 10 DECE COc1ccc([S@@](C)(=O)=NC(=O)c2cccc(O)c2O)cc1 1645098992 RMZWHUCDFKHFIR-JOCHJYFZSA-N 321.354 2.404 10 10 DECE C[C@H]1C[C@H]2CN(c3ccc(CN)cc3Br)CCN2C1 2124850505 IOLGTJIALIFESK-AAEUAGOBSA-N 324.266 2.438 10 10 DECE NC(=O)[C@H]1CCCCN1c1ccc(CNC2CC2)cc1Cl 164006051 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C[C@@H](CS(=O)(=O)C(C)(C)C)NCc1c(O)cccc1F 2170600863 OOXKMMAXXZPSIT-JTQLQIEISA-N 303.399 2.223 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC(O)(C(F)F)C2)c1O 2172124637 KIBRDQJXRXCMBO-UHFFFAOYSA-N 305.708 2.060 10 10 DECE CN(C)C(=O)c1cnn(Cc2c(O)cccc2Br)c1 2069901978 SKCULTNQMWZAIQ-UHFFFAOYSA-N 324.178 2.101 10 10 DECE Nc1cccc(Br)c1N[C@@H]1CCc2nncn2C1 2041926791 WOLVUNSEMYQLDP-MRVPVSSYSA-N 308.183 2.050 10 10 DECE Oc1cc(Br)ccc1CN[C@@]12COC[C@H]1C2(F)F 2043601992 HULYMUVZNCRZFZ-MNOVXSKESA-N 320.133 2.278 10 10 DECE N=c1cc(OCCc2ccc(N)cc2)c(Br)c[nH]1 2064994670 HTIUJBWQFKYSHI-UHFFFAOYSA-N 308.179 2.460 10 10 DECE CNCc1ccc(N(C)C[C@@H]2CCN2C)cc1Br 2066395034 NKTICSQCPJKTKT-ZDUSSCGKSA-N 312.255 2.309 10 10 DECE Oc1cc(Br)ccc1CNn1nnc2c1CCCC2 2087540431 RRTGVIDQWCPLAO-UHFFFAOYSA-N 323.194 2.369 10 10 DECE Nc1cccc(Br)c1N[C@@H]1CCn2cnnc2C1 2221053047 DUTMHSHROLPNBD-MRVPVSSYSA-N 308.183 2.050 10 10 DECE CC[C@H](C)[C@H](NCc1c(O)cccc1Br)C(N)=O 2264217480 KITAQVDNQVYQBM-UFBFGSQYSA-N 315.211 2.144 10 10 DECE CSc1ncc(CNC(=O)c2cccc(C(N)=S)c2)s1 2284693956 ZQHQRPZDKCRULF-UHFFFAOYSA-N 323.468 2.429 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1nc(C(F)(F)F)cs1 2296175555 ASAUEFONWXXWBB-LURJTMIESA-N 309.273 2.276 10 10 DECE CN(C)c1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1 2297316382 JPTLPTGHOSFACX-UHFFFAOYSA-N 302.290 2.032 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccnn2)cc1 2308000746 OPOUODJCWYOQSG-UHFFFAOYSA-N 322.324 2.330 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)c(F)c1Br 2309930173 ABZSRCMMMLNXQK-WHGOUJPWSA-N 315.186 2.006 10 10 DECE CN(C)[C@@H]1C[C@H]2C[C@H]1CN2c1ccc(CN)cc1Br 2341117427 UCIQDWZNVUVUIP-YWPYICTPSA-N 324.266 2.437 10 10 DECE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3C)C2=O)c1 101408669 OGPIYXSDUSLRPV-GDNBJRDFSA-N 323.352 2.308 10 10 DECE CSCCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1 174883988 FAFTVWNNTVLVPD-QPJJXVBHSA-N 307.415 2.443 10 10 DECE CCN(CC)c1ccc(CN[C@@]2(C)CCS(=O)(=O)C2)cc1 36944023 DKWRFWCEWAMXSK-INIZCTEOSA-N 310.463 2.200 10 10 DECE C[C@@H](c1ccccc1O)N1CC[C@H](S(=O)(=O)C(F)F)C1 2368503978 BADKGJZICSJFAT-UWVGGRQHSA-N 305.346 2.165 10 10 DECE CO[C@H](C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255869831 MRVWEZOVAZSCRL-BMWLXYDHSA-N 305.374 2.115 10 10 DECE FCC1(NCc2ccc(N3CCOCC3)cc2)CCOCC1 824690408 DSDFFYWUJDPKSY-UHFFFAOYSA-N 308.397 2.132 10 10 DECE CCOc1ccc(O)c(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 824654927 SGHFVLXSTLAWOY-LXZKKBNFSA-N 321.417 2.153 10 10 DECE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)CCN1C 385144362 XLZDHQONTPWHRO-SECBINFHSA-N 316.218 2.187 10 10 DECE Cc1cc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 840938245 AABZUMHGSDSJTG-NSHDSACASA-N 317.838 2.363 10 10 DECE COC(=O)[C@@H]1CSCCN(Cc2ccc(N(C)C)cc2C)C1 840975977 BZINCAOWEGOBEO-HNNXBMFYSA-N 322.474 2.399 10 10 DECE Cc1cc(O)c(CN2CCOC[C@H]2c2ccnn2C)cc1C 844757978 QOVZPCPOBZVZIE-INIZCTEOSA-N 301.390 2.316 10 10 DECE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CCCOC1 858205892 IQUVSZDLUPCCBW-KRWDZBQOSA-N 304.434 2.430 10 10 DECE C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cc([N+](=O)[O-])ccc1O 858602540 BKCAURVNRFAGSI-QMTHXVAHSA-N 319.361 2.104 10 10 DECE CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccc1O 868120980 BYGUGVGQUNLPQM-NEPJUHHUSA-N 307.394 2.057 10 10 DECE O=C(CCC1(O)CCC1)NCc1ccc2cccnc2c1O 868937831 NSLNQPSBFGIFRS-UHFFFAOYSA-N 300.358 2.252 10 10 DECE O=C(c1ccnn1CC(F)(F)F)N1Cc2cccc(O)c2C1 871205766 YAVLPYUIWSECIZ-UHFFFAOYSA-N 311.263 2.307 10 10 DECE COc1ccc(N(C)Cc2cn(C)nc2C(=O)O)cc1Cl 1350600822 HNJNONGDESCKDK-UHFFFAOYSA-N 309.753 2.417 10 10 DECE C[C@](O)(CC(=O)NCc1cccc(O)c1O)c1ccccc1 1303194821 KWCOFMRZUDDXAW-KRWDZBQOSA-N 301.342 2.012 10 10 DECE Oc1ccccc1CNc1ccc2nnc(Br)n2n1 1185098277 KPPJDOPKNWYCQM-UHFFFAOYSA-N 320.150 2.205 10 10 DECE Oc1c(F)cc(Br)cc1CNCC1CC(O)C1 715758065 IADLOQLUTWSENO-UHFFFAOYSA-N 304.159 2.154 10 10 DECE CNC(=O)c1cc(OC)ccc1NC(=O)c1cc(O)cs1 1442990029 HMHPHQKUYPPVTQ-UHFFFAOYSA-N 306.343 2.074 10 10 DECE CC(C)(C)CC[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1448434161 ZUWDIUYNNSPVFY-VUDGCMKMSA-N 307.390 2.414 10 10 DECE C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1294614725 CXNSQBUEAUDMME-BLLLJJGKSA-N 315.369 2.269 10 10 DECE CN(C)[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C 1469333252 POGYNCWGYSJTCK-OLZOCXBDSA-N 317.393 2.308 10 10 DECE CCc1ccc([C@@H](COC)NC(=O)Cc2ccc(O)c(O)c2)o1 1465248621 WBPQOTANOQEBOS-CYBMUJFWSA-N 319.357 2.300 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2cccn2C)cc1C 1567466082 NSJLDNWPMWDNPF-UHFFFAOYSA-N 315.417 2.204 10 10 DECE O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1c(O)cccc1F 1646035469 WNTSYIPRHFPAFE-NSHDSACASA-N 314.316 2.274 10 10 DECE COc1ccc(Br)c(CNC2CSC2)c1O 1964569483 KSDYQTRADWLCMD-UHFFFAOYSA-N 304.209 2.368 10 10 DECE C[C@@H]1C[C@@H](CNCc2ccc(Cl)cc2O)CCS1(=O)=O 1966089985 HAPPHSTZZMVWSG-MNOVXSKESA-N 317.838 2.349 10 10 DECE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O 1966105797 GAVQHIPAKDBTAT-NSHDSACASA-N 324.377 2.195 10 10 DECE Cc1cccc(CNc2ccc(CS(N)(=O)=O)cc2)c1O 165012677 HIPUUTSSNOUFNQ-UHFFFAOYSA-N 306.387 2.101 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1c1cccc(O)c1O 1952591618 ZKJHFSZSSMTWLQ-WCQYABFASA-N 308.378 2.497 10 10 DECE C[C@H]1C[S@](=O)CCN1Cc1ccc(Br)cc1O 1970348347 WZJRTXOHNRCLIS-HUTHGQBESA-N 318.236 2.108 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)NCCCCN=[N+]=[N-] 1985102161 CHXUWYQDQZIORM-TUAOUCFPSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](O)[C@@H](N)c1ccccc1O 1991937591 SYNYMAXGFKWJGK-QEJZJMRPSA-N 322.405 2.152 10 10 DECE CON(C)C1CN(c2ccc([C@@H](C)O)cc2Br)C1 2028062641 WBGFPBKTWNOGCD-SECBINFHSA-N 315.211 2.184 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2CC[C@@H]3O)c(Br)c1 2028288177 MPTBPMLZYKKQEL-GYSYKLTISA-N 311.223 2.257 10 10 DECE NCc1ccc(N2CC3(CC3)C[C@H]2CO)cc1Br 2037836345 JBXSFRUBRONGLG-LBPRGKRZSA-N 311.223 2.259 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1Cl 2170261285 NVBQLIIMVGEBQJ-QWRGUYRKSA-N 316.854 2.071 10 10 DECE C[C@@]1(CO)CCCN1c1ccc(CO)cc1Br 723049291 SXIVMJOAKGLMHX-ZDUSSCGKSA-N 300.196 2.293 10 10 DECE OCc1ccc(N2CC[C@@H](O)CC23CC3)cc1Br 2050643361 YIRBJKRFTZPSMT-GFCCVEGCSA-N 312.207 2.435 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2c[nH]nc2Br)CC1 2070691623 CUNYQGYJPJGRAQ-SSDOTTSWSA-N 313.159 2.477 10 10 DECE OCc1ccc(N2C[C@@H]3CC[C@]3(CO)C2)cc1Br 2078150632 HBRIHJKQAQXZGU-SMDDNHRTSA-N 312.207 2.150 10 10 DECE COc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 2097154504 BAXXVDSVFJCBMC-UHFFFAOYSA-N 303.336 2.402 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2219165007 WHLMGGDSCBCZAV-ATZCPNFKSA-N 317.202 2.378 10 10 DECE CN(C[C@H](F)C1CCC1)S(=O)(=O)Cc1ccc(N)cc1 2236432172 RCAAQZYINJQSDM-AWEZNQCLSA-N 300.399 2.169 10 10 DECE CSc1ncc(CN[C@@H](C)C2CCS(=O)(=O)CC2)s1 2269276234 CIXRZSRHNDOPIA-VIFPVBQESA-N 320.505 2.168 10 10 DECE CSc1ncc(CNC[C@H]2C(F)(F)C23CC(N)C3)s1 2269305539 YFVGAOHBDPUBCG-PUDKOPFASA-N 305.419 2.327 10 10 DECE CC(=C1SC(=S)N(CC(=O)O)C1=O)c1ccc(O)cc1 2296882417 UKABYQPIYSOYQN-UHFFFAOYSA-N 309.368 2.068 10 10 DECE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Br)ccc1O 2309706436 AAVCLYIEEMCTIV-TVYUQYBPSA-N 311.223 2.466 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2C[C@@H]3O)c(Br)c1 2315482925 HFKVYTDNFPMYDG-SUNKGSAMSA-N 312.207 2.291 10 10 DECE OC[C@](CSc1nccs1)(NC1CC1)[C@H]1CC1(F)F 2352090302 LNGFVJGWYBIKOH-MWLCHTKSSA-N 306.403 2.374 10 10 DECE Cc1ccc(CNC(=O)c2nccn2C)c(O)c1Br 2352948400 OFIBCGQGTYXARP-UHFFFAOYSA-N 324.178 2.127 10 10 DECE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)c1 6886440 RXJUXDQSCXUYDJ-GDNBJRDFSA-N 322.320 2.367 10 10 DECE CCC(=O)Nc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 9230943 UUGMMISCDHMVLE-UHFFFAOYSA-N 318.329 2.167 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CC(C)(C)O 304635165 LYLYWHGHJHRYMP-UHFFFAOYSA-N 301.346 2.093 10 10 DECE CCN(CC)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 127339128 HQAUTGIHAPXKSN-LJQANCHMSA-N 317.477 2.439 10 10 DECE CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 187870378 YVSBAQQOBVNVPV-CHWSQXEVSA-N 309.385 2.258 10 10 DECE CN(C)CCCN(C)c1ccc(CN)cc1Br 212970178 SSKVYJPWMSFQGM-UHFFFAOYSA-N 300.244 2.296 10 10 DECE Nc1ccc(CN(C2CC2)S(=O)(=O)c2cccnc2)cc1 35365956 FJUUAFVDPFZMCU-UHFFFAOYSA-N 303.387 2.017 10 10 DECE CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 264440528 WSCMNEBVMFJWKZ-INIZCTEOSA-N 303.406 2.217 10 10 DECE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2)c1C1CC1 808500457 MWNVPDUNXZYYRE-UHFFFAOYSA-N 312.325 2.065 10 10 DECE CCO[C@@H]1C[C@@H](NCc2cccc(C)c2O)[C@@H]1n1cccn1 816672848 LQTFTOBNBQNQQZ-OAGGEKHMSA-N 301.390 2.405 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@]3(CCOC3)C2)c1O 825133243 AJPWZMLIPPHXGS-MRXNPFEDSA-N 322.361 2.312 10 10 DECE O=S(=O)(Nc1cccc(O)c1F)c1cc(F)cc(F)c1O 821192383 TYWZHARWOJDQSS-UHFFFAOYSA-N 319.260 2.316 10 10 DECE NCCCC1=NCCc2c1ccn2CCOc1ccc(N)cc1 821290462 UZEPGDFEOCSJJC-UHFFFAOYSA-N 312.417 2.233 10 10 DECE Cc1cc(NC/C=C/c2ccc(N(C)C)cc2)n(CCO)n1 835041811 ASZDAUJOFQSRFN-SNAWJCMRSA-N 300.406 2.375 10 10 DECE CN(C)C(=O)[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 840957967 NNIGUWCLIQZRHL-KJPDOMRESA-N 301.434 2.176 10 10 DECE COc1cccc(O)c1CNC[C@H]1c2ccccc2C(=O)N1C 858283266 FLWAZMARFPXSAM-HNNXBMFYSA-N 312.369 2.317 10 10 DECE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](CC(F)(F)F)O1 852921699 LXPHBCQNSUMHGU-ZWNOBZJWSA-N 316.323 2.380 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCC[C@](O)(C3CC3)C2)cc1 853245190 VLIYMLVYGGTQIB-GOSISDBHSA-N 317.433 2.199 10 10 DECE COc1ccc(N2CC[C@H](NCc3cnc(C)n3C)C2)cc1 850347651 VLHLVBWWQUWLLM-AWEZNQCLSA-N 300.406 2.106 10 10 DECE Cc1nc(C(C)C)nc(O)c1C(=O)N1Cc2cccc(O)c2C1 871202380 GANRXLIPHKTDAW-UHFFFAOYSA-N 313.357 2.476 10 10 DECE C[C@@H](NCCc1nnnn1C)c1ccc(N2CCCCC2)cc1 772468374 SZYKFZYFBWDETJ-CQSZACIVSA-N 314.437 2.094 10 10 DECE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1c1ccc(N)cc1 1959518474 GICRGLNVDWNUDD-MWLCHTKSSA-N 301.312 2.305 10 10 DECE COc1ccc(Br)c(CNCCCCCO)c1O 1964021972 MZMKOGKVGJBPEN-UHFFFAOYSA-N 318.211 2.416 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl 688545809 ABMWRJMVNQHWPH-QWRGUYRKSA-N 318.870 2.490 10 10 DECE COC(=O)[C@H](NCCN=[N+]=[N-])c1ncc(Br)s1 714032483 IPEZMTWAHWQFLX-ZCFIWIBFSA-N 320.172 2.020 10 10 DECE C[C@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@@](C)=O 1348090583 ZOKKICZXPDZDEM-CFMSYZGJSA-N 304.406 2.278 10 10 DECE COc1ccc2c(c1)N(C(=O)/C=C(\C)c1cnccn1)CCO2 1539432339 UINLFPZOBIQKMW-FMIVXFBMSA-N 311.341 2.314 10 10 DECE COCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1713981260 ZGQHMYAWBPLWDS-IYBDPMFKSA-N 320.433 2.167 10 10 DECE C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1640211078 SBXGSQGYGKDJHA-PWSUYJOCSA-N 304.350 2.251 10 10 DECE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 1912162027 QKUYCKIDZUFMAI-UHFFFAOYSA-N 319.730 2.179 10 10 DECE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1904982241 RMIBOJYWPYQUEG-HUUCEWRRSA-N 324.421 2.326 10 10 DECE Cc1cccc(CNC(=O)c2ncncc2Br)c1O 2139759528 JUQMKSJFIUPHED-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CC(C)(O)C1CN(c2ccc(CO)c(Br)c2)C1 1946891435 FZCCUSIMBXIDII-UHFFFAOYSA-N 300.196 2.149 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2143701126 STQNRAHYBSFHLT-GHMZBOCLSA-N 317.838 2.473 10 10 DECE CN(Cc1ccccc1)C[C@H](N)[C@H](O)c1ccc(N(C)C)cc1 1977937596 COFIIHVSTPFCIM-RBUKOAKNSA-N 313.445 2.245 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](C(=O)NCCN=[N+]=[N-])(C2)C1 1985093706 DEABDHPDKNNVAY-XHDPSFHLSA-N 323.397 2.450 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H]1CNCc1ccc(O)cc1O 1992539236 AMKXRLHETPEAAZ-ZDUSSCGKSA-N 320.389 2.363 10 10 DECE CC(C)(O)[C@H]1CCN1c1ccc(CO)c(Br)c1 2016613226 BAMQYGMETLKTNL-GFCCVEGCSA-N 300.196 2.291 10 10 DECE OCc1ccc(N2CC(F)(F)C[C@H]2CO)c(Br)c1 2041126930 IWRSGXLTNYWGMG-VIFPVBQESA-N 322.149 2.148 10 10 DECE C[C@H]1C[C@@H](O)CN1c1cc(Br)c(CN)cc1F 384992294 MSBPDJNWSXYRHX-IONNQARKSA-N 303.175 2.006 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC=CC34CCCCC4)c2n1 2063411701 SBPWARDGYZCROH-UHFFFAOYSA-N 312.373 2.458 10 10 DECE COC(=O)c1cc(C2CC2)nn1Cc1cccc(OC)c1O 2069965438 UUYMOOBVQOQYFP-UHFFFAOYSA-N 302.330 2.310 10 10 DECE COc1ccc([C@@H](C)n2nc(C3CC3)c(CN)c2N)c(O)c1 2080026272 VPPQLQUHXNTAMU-SECBINFHSA-N 302.378 2.125 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1cc(Cl)c(CN)cc1F 2177381921 SOPSMZWGPGRSIS-SECBINFHSA-N 322.833 2.197 10 10 DECE CN(C)c1ccc([C@@H](O)c2cnn(C)c2Br)cc1 2044713290 HLBWYHDXAKRGAW-GFCCVEGCSA-N 310.195 2.330 10 10 DECE C[C@H](N=c1[nH]ccnc1Br)c1cc(O)ccc1O 2057936008 VIQSOZNILZANSM-ZETCQYMHSA-N 310.151 2.245 10 10 DECE CCCS(=O)(=O)C[C@H](C)NCc1cccc(Cl)c1O 2114180502 PNQCGLMKLFMTHG-JTQLQIEISA-N 305.827 2.349 10 10 DECE COc1ccc(Br)c(CN[C@H]2CC[C@H]2OC)c1O 2220462402 KYJRJITYHPQZNJ-WDEREUQCSA-N 316.195 2.430 10 10 DECE C[C@@H](NCCS(=O)(=O)C(F)(F)F)c1cc(F)ccc1O 2232497815 ZURNMIPTENOXCX-SSDOTTSWSA-N 315.288 2.117 10 10 DECE CC1(C)CCCN(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1 2234175244 ATQWJBIAZZKJAZ-QWRGUYRKSA-N 301.416 2.174 10 10 DECE COc1cc(OC)c(N2C[C@H](N)[C@H](C(F)F)C2)cc1Cl 2285936218 MBFFWSXCRCGUGH-APPZFPTMSA-N 306.740 2.386 10 10 DECE Cc1ccc(CNCC(F)(F)C(=O)O)c(O)c1Br 2327582265 FWNLRMPUGQNUPR-UHFFFAOYSA-N 324.121 2.273 10 10 DECE COC(=O)[C@@]1(C)CCCN1Cc1ccc(N2CCOCC2)cc1 189986552 BEBYIMKMTIDPGP-GOSISDBHSA-N 318.417 2.051 10 10 DECE CCO[C@@H]1C[C@@](O)(CNCc2cc(OC)ccc2O)C1(C)C 188054259 GYPCWZYDAGZEBG-NVXWUHKLSA-N 309.406 2.057 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](OC)C2)c1 187873481 NSBDXVAZXXYNTD-TUAOUCFPSA-N 308.378 2.329 10 10 DECE C[C@@H]1CCC[C@H](CS(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)O1 2364100549 JZMWLXAYCLVOLJ-IJLUTSLNSA-N 302.400 2.049 10 10 DECE CN(C)c1ccc(CNC(=O)CSC2CCOCC2)cc1 130789651 ONWWDVNCXYGXFW-UHFFFAOYSA-N 308.447 2.281 10 10 DECE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(OC(F)F)cc1 90256736 NMXOVALTXAOACJ-JTQLQIEISA-N 300.265 2.402 10 10 DECE CC(=O)N(C(=S)NCc1ncccc1C)c1ccc(N)cc1 243125286 JJYVSEBPNQJRMD-UHFFFAOYSA-N 314.414 2.400 10 10 DECE N=C1COC[C@H](c2cc(Cl)cc(Br)c2O)N1 397009873 VQQXGYNPKKWSJM-MRVPVSSYSA-N 305.559 2.446 10 10 DECE CCOC[C@@H](C(=O)OC)N(C)Cc1ccc(N(C)C)c(C)c1 815074736 CHCLOBVMUJGUDT-INIZCTEOSA-N 308.422 2.071 10 10 DECE CC[C@H]1Oc2cccc(N)c2N(OCc2ccc(N)cc2)C1=O 821297446 NQAFBIAEQBEMLP-CQSZACIVSA-N 313.357 2.487 10 10 DECE COc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)nc1 825305234 DVOMVEGYWNWLBB-UHFFFAOYSA-N 313.401 2.426 10 10 DECE Cc1cc(CN2CCC[C@](O)(CO)C2)ccc1N1CCCCC1 839147200 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CINVTKIZBVPVGU-UHFFFAOYSA-N 302.721 2.247 10 10 DECE C[C@H]1SC(=S)N(CCCC(=O)NC2CCCC2)C1=O 11636161 JUTAINBLPMEQSS-SECBINFHSA-N 300.449 2.074 10 10 DECE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCC(=O)O 1857909815 NFEPWQMNQCPMPQ-UHFFFAOYSA-N 316.357 2.183 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C[C@H]2CC[C@@H](F)C2)C1 1912146420 RRJOSKDQKOLDQU-SDDRHHMPSA-N 304.391 2.477 10 10 DECE NCc1ccc(N2C[C@@H](O)CC3(CC3)C2)cc1Br 1926401311 NLJCRNUKSVJFOZ-LBPRGKRZSA-N 311.223 2.259 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1O 2141084318 IYXRILJBCPQKIR-AAEUAGOBSA-N 303.811 2.101 10 10 DECE Oc1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c(O)c1 1939380072 MAIJPMZFVPMDMR-LPHOPBHVSA-N 310.397 2.462 10 10 DECE C[C@@H](O)c1ccc(N2CC(C)(CO)C2)cc1Br 1951062502 JXKGJMAFYZKAAZ-SECBINFHSA-N 300.196 2.321 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1cc(O)c(O)c(O)c1 1952158165 UBMABIZNGRJAKN-WDEREUQCSA-N 324.377 2.203 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C1)[C@@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985095093 YRTCSDLHIYOSEV-IJLUTSLNSA-N 321.381 2.011 10 10 DECE C[C@@H](O)[C@H]1CCN1c1cc(Br)c(CN)cc1F 2011141149 QEPBMELXLDGOKP-RDDDGLTNSA-N 303.175 2.006 10 10 DECE Nc1cc2c(cc1N1CCC(Cl)=C(Cl)C1)NC(=O)CO2 2153621225 NYGJCPIBRDZXQR-UHFFFAOYSA-N 314.172 2.499 10 10 DECE Cn1cncc1CCNCc1cc(Br)ccc1O 401776827 SXJWNHGTGUVEQV-UHFFFAOYSA-N 310.195 2.221 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N3CC=CC3)c(Br)cc21 394076823 VUNJARCABVPPRP-CYBMUJFWSA-N 322.206 2.428 10 10 DECE C[C@@H](N)c1cc(F)c(N2CC(C)(C[S@@](C)=O)C2)c(F)c1 2194694622 MSBCQOIHCPHALT-GSDQLPOLSA-N 302.390 2.189 10 10 DECE COC[C@@](C)(CNCc1cccc(Br)c1O)OC 2077502405 NMJBVABCXZKPJE-CYBMUJFWSA-N 318.211 2.296 10 10 DECE Oc1ccc(CNCCc2cc(Br)no2)c(O)c1 2221470245 KQZWVEPXZOBGQQ-UHFFFAOYSA-N 313.151 2.181 10 10 DECE CC1(C)C[C@]1(Cl)CNS(=O)(=O)Cc1ccc(N)cc1 2229660132 JPPMGDPULRWQFZ-ZDUSSCGKSA-N 302.827 2.096 10 10 DECE CC[C@H]1[C@@H](O)CCN1c1ccc(CO)cc1Br 2251039148 BHACQHWDPGRLNT-AAEUAGOBSA-N 300.196 2.291 10 10 DECE CC[C@@H](C)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)F 2287314814 BLRUMQWCJQPVNE-SKDRFNHKSA-N 306.378 2.368 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCCOCc1ccccc1 2307989620 GMGWHNWJFZUOEU-UHFFFAOYSA-N 313.353 2.444 10 10 DECE Cc1ccc(Cn2cncc2C2CNC2)c(O)c1Br 2352621174 YYGLIFOWKZTQLS-UHFFFAOYSA-N 322.206 2.395 10 10 DECE CCN(c1ccc(N)cc1)S(=O)(=O)c1cn(CC)c(C)n1 63114380 IGRPFMMDEGWXHP-UHFFFAOYSA-N 308.407 2.009 10 10 DECE C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1 182225183 BULLHCVILAUBFI-AWEZNQCLSA-N 312.417 2.115 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2cncn2)cc1 186789228 QPODHJNKMIGWMP-LLVKDONJSA-N 324.340 2.170 10 10 DECE Cc1cnc(CCN(C)C(=O)c2ccc(C)c(O)c2O)s1 182902550 ROPGMOJCCOFLCM-UHFFFAOYSA-N 306.387 2.486 10 10 DECE CC[C@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 90467662 VIFKNYQCAYQMBL-HOTGVXAUSA-N 310.463 2.371 10 10 DECE CCCN(Cc1c(O)cccc1Cl)[C@@H]1COC[C@H]1C(=O)O 252503265 LNOGDSQXDKJBKQ-DGCLKSJQSA-N 313.781 2.357 10 10 DECE CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cccc(F)c3O)[C@H]2C1 809788296 PSDLFUDHZFODCQ-OFQRWUPVSA-N 306.381 2.268 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](C)c1cccc(Br)c1 812607785 YETGGTJGZWDVPT-QMMMGPOBSA-N 313.147 2.254 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)OC)C2)cc1 819581573 ABECHJVQQGHJIE-ZDUSSCGKSA-N 306.406 2.063 10 10 DECE O=C(c1cc(O)cs1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1351013641 UOZJNTGEHATROB-CZUORRHYSA-N 321.373 2.394 10 10 DECE Oc1ccc(Cl)c(F)c1CN1CC[C@H](Cn2ccnn2)C1 826851020 AVZNMECSWOYZPP-JTQLQIEISA-N 310.760 2.298 10 10 DECE CC[C@@H](N[C@H](C)c1cc(Br)ccc1O)C(=O)NC 834913985 RTIGMVQGDOUDPU-LDYMZIIASA-N 315.211 2.330 10 10 DECE CCOc1ccc(CN(C[C@H]2CCC(=O)N2)C(C)C)c(O)c1 840977929 YQIVLGAPAWGBLI-CQSZACIVSA-N 306.406 2.280 10 10 DECE C[C@H](NC[C@@H]1COCCN1C)c1cc2c(cc1O)CCCC2 858522628 GYBDTIZXZDKEFP-XJKSGUPXSA-N 304.434 2.252 10 10 DECE C[C@@H]1COC[C@H](C)[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 926723875 GMJWUBFCFVPVIR-QWHZDKJVSA-N 318.461 2.408 10 10 DECE Cn1c(NCc2ccc(N3CCOCC3)cc2)nc2cnccc21 865461307 VIXDRTORQQMEEK-UHFFFAOYSA-N 323.400 2.417 10 10 DECE CN=c1nc(N(C)Cc2ccccc2O)c(Br)c[nH]1 1877544441 DXUGROOKWAHKOO-UHFFFAOYSA-N 323.194 2.045 10 10 DECE OC[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCO1 1879589851 VDHIRBIAEADQDT-CYBMUJFWSA-N 306.189 2.330 10 10 DECE O=[N+]([O-])c1cc(CO)c(NCCc2ccc(O)c(O)c2)cc1F 1306988630 UCCQVVLQOMFDMF-UHFFFAOYSA-N 322.292 2.292 10 10 DECE CN(C)c1cccnc1C(=O)NCc1cccc(Cl)c1O 1159041388 LAMAXGATHRPJQK-UHFFFAOYSA-N 305.765 2.437 10 10 DECE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(CCCN=[N+]=[N-])C1 1962305752 VXZWRKLTAVVORP-CQSZACIVSA-N 313.402 2.038 10 10 DECE CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccccc2O)cs1 1302537982 BXLQHNZIOOIFLY-QMMMGPOBSA-N 305.359 2.298 10 10 DECE CCOc1ccc(N2CC[C@H](CNCCCO)C2)cc1OCC 76382903 VPCFNAGNOZGOEQ-OAHLLOKOSA-N 322.449 2.282 10 10 DECE CC(C)C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1329435814 NBLJREXRCLTPAW-UHFFFAOYSA-N 316.401 2.129 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1c1ccccc1 1444809187 XRJINWAHZUFWQE-HNNXBMFYSA-N 313.353 2.240 10 10 DECE O=C(/C=C\c1cccnc1)N1C[C@H](CO)Cc2cccc(F)c21 1469689229 YEYQMNVDMSQZSJ-LMVHVUTASA-N 312.344 2.432 10 10 DECE COc1ccc(O)c([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 1536004239 WDWDIKSZKLAKLN-ZDUSSCGKSA-N 308.378 2.282 10 10 DECE CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCF 1715733927 OSWDLXRTQDCYHU-CYBMUJFWSA-N 323.372 2.163 10 10 DECE [N-]=[N+]=NC1CCN(C(=O)c2cnc(Br)cn2)CC1 2221595315 DIDOQLFRINNCTD-UHFFFAOYSA-N 311.143 2.154 10 10 DECE Nc1c(C(=O)NCc2ccccc2O)cnn1-c1ccccc1 1636058279 UPHKACDPHPJVOH-UHFFFAOYSA-N 308.341 2.090 10 10 DECE Cc1nc(Cl)ccc1CC(=O)NCc1cc(O)ccc1O 1643882291 SMDBYIDHHZSXEG-UHFFFAOYSA-N 306.749 2.314 10 10 DECE c1cc2c(cc1CNCC1(N3CCCC3)CCOCC1)CCO2 1649155642 LMXXUYCTVAEBGN-UHFFFAOYSA-N 316.445 2.356 10 10 DECE CCOC(OCC)[C@H](C)NC(=O)N(C)Cc1ccccc1O 1684865360 XPHZCOXGYXXGBF-LBPRGKRZSA-N 310.394 2.321 10 10 DECE C[C@H](Oc1ccccc1/C=C1/SC(=S)N(C)C1=O)C(=O)O 16905273 WIXYFPXNXFIXIG-LBTPYSACSA-N 323.395 2.370 10 10 DECE CN(C)C(=O)c1ccnc(NCc2cc([N+](=O)[O-])ccc2O)c1 158840116 DRBYFDUOFMKDES-UHFFFAOYSA-N 316.317 2.009 10 10 DECE CC1(C)CN(c2ccc(CN)cc2Br)C[C@H]1CO 1914000590 DRPNPQUUILQZGC-NSHDSACASA-N 313.239 2.363 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 1902969440 OOZCJEMJZIGFTK-IJLUTSLNSA-N 323.397 2.401 10 10 DECE CCCN[C@@H](c1ccccc1O)[C@@H](O)CNC(=O)OC(C)(C)C 1920940044 GSTVBRNLRHZROY-GJZGRUSLSA-N 324.421 2.319 10 10 DECE Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 228028660 DMBCEIOWNJRBPF-UHFFFAOYSA-N 322.173 2.233 10 10 DECE CC(C)(C)OC(=O)NCCCONCc1cc(F)ccc1O 1928535327 WLXCVMLOLKIFPS-UHFFFAOYSA-N 314.357 2.467 10 10 DECE Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1986130445 PAFQENWVGUSTGQ-UONOGXRCSA-N 321.421 2.359 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c(Br)c1 2029636698 WNOXKDUJFCJHFN-CHIMOYNISA-N 312.207 2.321 10 10 DECE Cc1cccc(N2N=C(C(=O)O)[C@H](C)C2=O)c1Br 2037176539 GGBVKHIOYJYIHF-ZETCQYMHSA-N 311.135 2.181 10 10 DECE CNCc1ccc(N2CC[C@H](C)[C@H](O)C2)c(Br)c1 300494186 CVGOCHQYWKTDTI-IINYFYTJSA-N 313.239 2.376 10 10 DECE CNCc1ccc(N2[C@H]3CC[C@H]2CN(C)C3)c(Br)c1 687243718 RJABEMXMBPUCNK-STQMWFEESA-N 324.266 2.451 10 10 DECE O=C(O)CCC1CN(Cc2c(O)cccc2Br)C1 709350028 DDZQVUAQOLBJEU-UHFFFAOYSA-N 314.179 2.451 10 10 DECE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 2179609829 PCFLSGDLFJOXOY-GUBZILKMSA-N 308.354 2.382 10 10 DECE COc1ccc(O)c([C@@H](C)n2nccc2C(=O)NC2CC2)c1 2069942952 POKKBIQDPNGUBD-SNVBAGLBSA-N 301.346 2.099 10 10 DECE CCc1nn([C@H](C)c2ccc(OC)cc2O)c(N)c1C(=O)O 2079979989 XKUKOYOQTRXXPN-MRVPVSSYSA-N 305.334 2.049 10 10 DECE Nc1ccc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cc1 2191630833 GCJCFZLNVAVEON-UHFFFAOYSA-N 315.757 2.444 10 10 DECE C[C@@H](N)C[S@@](C)(=O)=Nc1ccc(C2=S=CC=C2)s1 2085069085 QOHWFZPNNGSDSD-DYBLOJMWSA-N 300.474 2.450 10 10 DECE CS[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@H]1N(C)C 2114276936 KRNSBQITNQTUHB-KBPBESRZSA-N 300.855 2.314 10 10 DECE NCCc1n[nH]cc1CN1CCc2cccc(Br)c21 2227044968 YDYGQITWKNOPIO-UHFFFAOYSA-N 321.222 2.236 10 10 DECE Cc1cc(O)cc(C)c1NS(=O)(=O)c1cc(CO)cs1 2239644245 ANAJVGMVMXGAGD-UHFFFAOYSA-N 313.400 2.364 10 10 DECE CSc1ncc(CNC[C@H](N)[C@H](C)OC(C)(C)C)s1 2269303136 MUPUVLCREGSSPW-ONGXEEELSA-N 303.497 2.486 10 10 DECE CSc1ncc(CNC(=O)NCCC(C)(C)C(=O)O)s1 2284544918 UPVCXOAVVRFDQV-UHFFFAOYSA-N 317.436 2.165 10 10 DECE CN1CCC[C@@H]2CN(C(=O)C=Cc3ccc(O)c(O)c3)CC[C@@H]21 2308001962 HVVGTOQQSWQLLK-CABCVRRESA-N 316.401 2.054 10 10 DECE Oc1cccc(Br)c1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O 2310040843 PRFDQCRQUQUDGQ-COPCRZHJSA-N 312.207 2.404 10 10 DECE CN1CCc2cc([C@@H](O)c3c(Br)ncn3C)ccc21 2337187151 BHJUOQZEHMHERU-CYBMUJFWSA-N 322.206 2.257 10 10 DECE C[C@@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 177934152 YFTCGSHXDRYTBD-UKRRQHHQSA-N 308.397 2.492 10 10 DECE COc1cc(Cl)cc(CN2CCC[C@@H](n3cncn3)C2)c1O 184689200 COEXIQDULCHHJD-CYBMUJFWSA-N 322.796 2.483 10 10 DECE CN(C)C[C@H]1CCCN1c1ccc(CN)cc1Br 212891247 GYPLMSTWJOMCMN-GFCCVEGCSA-N 312.255 2.438 10 10 DECE C[C@H]1CCN(c2ccc(CN)c(Br)c2F)C[C@@H]1O 231840932 AQSBZDKGPLQGLZ-KWQFWETISA-N 317.202 2.254 10 10 DECE COc1ccc(CNC(=O)[C@H]2C[C@]2(C)Br)c(O)c1 529229000 PVKCDSNTKUYUHY-MFKMUULPSA-N 314.179 2.191 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Nc1c(C)cnn1C 824386842 OUKGLWCIDNFDEK-UHFFFAOYSA-N 301.394 2.425 10 10 DECE CCOCc1cc(CNCCc2cn(C)cn2)ccc1OC 839149239 PJDJNLDVGCXERX-UHFFFAOYSA-N 303.406 2.298 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C)C1 731282937 ZLHXEIJVWHIROV-OAHLLOKOSA-N 305.422 2.408 10 10 DECE CC(=O)C(=O)COC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 840221000 JKGFXPAJCNJDPB-HNNXBMFYSA-N 320.385 2.499 10 10 DECE C[C@H](NS(=O)(=O)c1cnn(C2CCC2)c1)c1ccccc1O 919120021 UDUURMOYQVNMGE-NSHDSACASA-N 321.402 2.353 10 10 DECE Cc1cccnc1/C=C/C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 843298029 LNQIGLYUBJRXTN-DVQDXYAYSA-N 324.428 2.285 10 10 DECE Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N(C)C)cc2)n1 920341815 NTFXTVOXHFVJPK-CQSZACIVSA-N 300.406 2.443 10 10 DECE CC1(C)OC[C@@H]2C[C@]21NCc1ccc(N2CCOCC2)cc1 858229357 UBDXMGRSVHBIID-YJBOKZPZSA-N 302.418 2.180 10 10 DECE O=C(O)/C=C\c1ccc(N2CC3(COC3)C2)c(Br)c1 697121783 UODFNMMUXAPCLE-RQOWECAXSA-N 324.174 2.384 10 10 DECE C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@]12CCCC[C@@H]1C2 868291407 JVOCRADBAVYURK-JKDFXYPNSA-N 301.390 2.292 10 10 DECE CC(C)n1cnnc1SCC(=O)N1Cc2cccc(O)c2C1 871197928 ACTUUQAIQABCFB-UHFFFAOYSA-N 318.402 2.199 10 10 DECE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)C1O 898722905 VTJLEZRGXMBXNC-RKDXNWHRSA-N 321.398 2.401 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CC(N=[N+]=[N-])C3)[C@@H]2C1 1895875037 FBLLKKKJGVAWLS-ZMLRMANQSA-N 321.381 2.011 10 10 DECE Cn1c(O)nc2ccc(NCc3cc4c(cc3O)OCO4)cc21 799739985 GHRBDTZKOYJSIM-UHFFFAOYSA-N 313.313 2.325 10 10 DECE Oc1cc2c(cc1CN1CC[C@H](c3ccccn3)C1)[C@H](O)CO2 799158397 KGVNKWFLMZVATO-YVEFUNNKSA-N 312.369 2.203 10 10 DECE O=C1Nc2cc(N3C[C@H]4C[C@@H](C3)C4)c(Br)cc2[C@H]1O 1899781097 CIKBSELSFIHESC-BFHDXFOESA-N 323.190 2.281 10 10 DECE CCCCn1cc(CNC(=O)Cc2ccc(O)c(O)c2)c(C)n1 1624054689 KHXUWIWYTZCTBM-UHFFFAOYSA-N 317.389 2.262 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC12CCOCC2 1556326612 VVBOIIKTNVFFLY-HNNXBMFYSA-N 305.374 2.106 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3CCC=CO3)CC2)cc1 1622438541 XYLQULCETGFICA-INIZCTEOSA-N 302.374 2.037 10 10 DECE O=C(NCc1nc(O)c2ccccc2n1)c1cc(O)cs1 1638169460 JFKGNWBVMWYMNS-UHFFFAOYSA-N 301.327 2.033 10 10 DECE Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1565557439 YGCIGSQYFDJSEN-VIFPVBQESA-N 314.349 2.382 10 10 DECE CCN(CCOC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 1773124360 KZKDJGHNPGEKOF-VURMDHGXSA-N 308.334 2.254 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)CC3(Br)CC3)ccc21 1887892249 DSPITVYUDIPAOP-LBPRGKRZSA-N 324.222 2.263 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1c(O)cccc1Cl 2141090314 XIOMCDOEHRTVEO-DGCLKSJQSA-N 303.811 2.101 10 10 DECE Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C)cc1O 228047604 BADDTKKJYVOONR-UHFFFAOYSA-N 315.782 2.197 10 10 DECE CN(C)C(=O)CCCNCc1cccc(Br)c1O 237137814 LHPGPAXNJFDVBG-UHFFFAOYSA-N 315.211 2.113 10 10 DECE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(N)cc1 1975261419 WYABJYGILBTPAN-KGLIPLIRSA-N 307.394 2.315 10 10 DECE C[C@H](N[C@H](C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O 2146117648 KTSYRAVKRLNADS-VWYCJHECSA-N 301.383 2.005 10 10 DECE C[C@@H](O)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(Cl)c1 2151276725 VAQDMGHNRIJSBC-ZYHUDNBSSA-N 317.838 2.407 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2CCN[C@H]2C1 2027240754 ROQWMYNAUKQATN-MFKMUULPSA-N 311.223 2.339 10 10 DECE CN(C[C@]12COC[C@@H]1C2)c1ccc(CO)cc1Br 689317470 CIXYCAVBNUMHBY-SMDDNHRTSA-N 312.207 2.414 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl 688547781 XVPOPNGRZPYQDU-UWVGGRQHSA-N 304.843 2.229 10 10 DECE C[C@H](C[S@](C)=O)N(C)c1ccc(CN)c(C(F)(F)F)c1 398922071 VDBMYIPHBLEFHB-YBYGRFCBSA-N 308.369 2.367 10 10 DECE O=C(NC1CC1)c1cnn(-c2ccc(O)c(O)c2)c1C1CCC1 2069791473 JJJIRWWNJIOCMZ-UHFFFAOYSA-N 313.357 2.443 10 10 DECE COc1cc(Cl)cc(CN[C@H]2C[C@@H]([C@@H](F)CO)C2)c1O 2199118126 KGMHABMAPPHDOS-AXTRIDKLSA-N 303.761 2.253 10 10 DECE C[C@@H](N)c1cc(F)c(N2CC(C)(C[S@](C)=O)C2)c(F)c1 2194694625 MSBCQOIHCPHALT-YBYGRFCBSA-N 302.390 2.189 10 10 DECE 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C[C@@]12CNC[C@H]1CN(Cc1ccc(Br)cc1O)C2 703575852 KWNXUGZSDAAQRM-FZMZJTMJSA-N 311.223 2.196 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(C2OCCO2)cc1 1178910646 GMRXSIRKLALBBC-UHFFFAOYSA-N 315.325 2.073 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNCCCCc1nn[nH]n1 708184906 ICKQGRZGNAKLPV-UHFFFAOYSA-N 316.192 2.325 10 10 DECE NCc1ccc(N2C[C@H]3COC[C@@H]3C2)c(F)c1Br 718241283 FIKYWAHUTRTTLD-UWVGGRQHSA-N 315.186 2.130 10 10 DECE Cc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)nc1 530827 VPWQQKFHUAVYDM-NTUHNPAUSA-N 312.398 2.143 10 10 DECE C[C@H](C[C@H](O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1294614728 CXNSQBUEAUDMME-WBMJQRKESA-N 315.369 2.269 10 10 DECE CCNCc1ccc(N2CC[S@](=O)C[C@H]2C)c(Cl)c1 2115316751 MTRAXVPJQIXQNN-WYRIXSBYSA-N 300.855 2.407 10 10 DECE C[C@@H](CNC/C=C/Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 1716466275 GONMBAXBIMRWCL-VLFLPIJSSA-N 323.784 2.309 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC(=O)CC1 1556158363 YEOSBTOQQTUVIN-NSHDSACASA-N 305.374 2.294 10 10 DECE C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(Cl)cc1O 1658946669 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CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@]12CC[C@@H]2NC(=O)OC(C)(C)C 1985102974 OKELUJXKRXVDHP-PGUXBMHVSA-N 323.397 2.449 10 10 DECE O=S1(=O)CCC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21 2145074965 YLDFILXRQLOOFT-ZWNOBZJWSA-N 315.822 2.055 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H]2COC[C@@H]21 2027342836 MCJLYQCIKNDOIO-PTOFAABTSA-N 316.170 2.418 10 10 DECE C[C@H](CCCN1CCCC[C@H](CN=[N+]=[N-])C1)S(=O)(=O)O 2155495082 NACLOIRPEBXREP-VXGBXAGGSA-N 304.416 2.455 10 10 DECE Oc1c(F)cc(Br)cc1CN1C[C@@H]2CC[C@H](C1)N2 2034658487 MBYPAHORKDKTED-PHIMTYICSA-N 315.186 2.230 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)C3)c(Br)c1 2037415643 ACPLOSZYZCEXHP-ZSBIGDGJSA-N 311.223 2.400 10 10 DECE CC[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1O 399942551 OJALXWNCDQSJEG-AMIZOPFISA-N 317.202 2.254 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 2064102702 VYYPIFXKVSKBEN-CSMYWGQOSA-N 311.337 2.006 10 10 DECE Cc1cccc([C@@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c1O 2070645998 OWQIYFUENQYCJF-SNVBAGLBSA-N 301.346 2.104 10 10 DECE CN(C[C@H]1OCC[C@H]1F)c1ccc(CN)cc1Br 2058681543 XBFFCOQOOUFKJC-DGCLKSJQSA-N 317.202 2.471 10 10 DECE O=c1c2c(ccn1Cc1ccccc1Br)CCNC2 2094406909 LGYHLFVQBLOOSA-UHFFFAOYSA-N 319.202 2.305 10 10 DECE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC(N=[N+]=[N-])C2)CCC12CC2 2210275505 MCCKNCAJHPATFN-NSHDSACASA-N 321.381 2.440 10 10 DECE CN(C[C@@]1(C)CSCCO1)c1ccc(CN)c(F)c1F 2201236980 LYFPLLRQXUVBDC-AWEZNQCLSA-N 302.390 2.382 10 10 DECE COC[C@@H](CF)NCc1c(Br)ccc(OC)c1O 2220450339 DIVIBMOCRJTAAZ-MRVPVSSYSA-N 322.174 2.237 10 10 DECE CSc1ncc(CNC(=O)NC(C)(C)CCC(=O)O)s1 2284498301 IVIPPQJIUPWEJD-UHFFFAOYSA-N 317.436 2.308 10 10 DECE CN1C(=O)C(=C2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 2296603277 SOBAGTMSQGQYOZ-UHFFFAOYSA-N 318.332 2.380 10 10 DECE CSCCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297608263 JSOCOVFFLUNBDI-UHFFFAOYSA-N 320.458 2.406 10 10 DECE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1ccc(Br)cc1O 2309706318 YKTHVZPRVOBMBH-WCFLWFBJSA-N 311.223 2.466 10 10 DECE O=C(O)C[C@@H]1C[C@@H]1CNCc1c(O)cccc1Br 2314297003 CTKHXNVKLSDXQO-DTWKUNHWSA-N 314.179 2.355 10 10 DECE Cc1ccc(Cn2cc([C@@H](C)O)nn2)c(O)c1Br 2327614342 BVXFKEWASZQCJQ-MRVPVSSYSA-N 312.167 2.156 10 10 DECE CCn1[nH]cnc1=NCc1ccc(C)c(Br)c1O 2327791128 AMHAGNXUTZNPBS-UHFFFAOYSA-N 311.183 2.109 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@@](Sc2nccs2)(C(=O)O)C1 2351992917 VWQNBLCHUDLMDG-KWQFWETISA-N 321.445 2.046 10 10 DECE CN[C@](CSc1nccs1)(C(=O)OC)[C@@H]1CC1(F)F 2352112261 DNQDLHBQAHBBMD-XVKPBYJWSA-N 308.375 2.022 10 10 DECE Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c(O)c1O 182809379 VPTQICFSPWFBFW-CYBMUJFWSA-N 314.341 2.095 10 10 DECE C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1O 187799281 TWBRUGBWZIEBNB-QMMMGPOBSA-N 312.276 2.126 10 10 DECE CN1C(=O)/C(=C/c2ccccc2OCCC(=O)O)SC1=S 210391441 RIIRMWCLVQALQQ-FLIBITNWSA-N 323.395 2.371 10 10 DECE C[C@@H](O)c1ccc2c(c1)CC(=O)N2CCOc1ccc(N)cc1 213218095 LVCWASSHJNBBFF-GFCCVEGCSA-N 312.369 2.290 10 10 DECE COc1cc(Cl)cc(CNC2CCC(C(N)=O)CC2)c1O 228674174 RHWGXCWVTOIWKB-UHFFFAOYSA-N 312.797 2.188 10 10 DECE COc1ccc(N2CCN[C@@H](C)C2)c(OC)c1Br 234980196 ZCIBZJUZLAPYNV-VIFPVBQESA-N 315.211 2.264 10 10 DECE Oc1ccc(CCNc2ncnc3c2ncn3C2CC2)cc1O 292704949 KFSGJPVDNDTEQS-UHFFFAOYSA-N 311.345 2.227 10 10 DECE COc1ccc(O)c(CN2CCC(C)(N3CCOCC3)CC2)c1 529663277 IQRHCAWKALNYTK-UHFFFAOYSA-N 320.433 2.088 10 10 DECE CC(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586735153 IFARPMAXWBZKTI-UHFFFAOYSA-N 302.286 2.014 10 10 DECE Oc1c(Br)cccc1CNC[C@H]1CCN1C1CC1 691820756 FIGDLJGKHAEBCZ-GFCCVEGCSA-N 311.223 2.481 10 10 DECE C[C@@H](c1cc(F)ccc1O)N(C)CC(C)(C)S(C)(=O)=O 713911521 HNAXVCVUBRINLJ-JTQLQIEISA-N 303.399 2.347 10 10 DECE C[C@H](N[C@H](C)C(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 776901680 MAMUFSKHGKJYRJ-QWHCGFSZSA-N 310.413 2.472 10 10 DECE CCOc1cccc(CNC[C@H](CO)c2cccnc2)c1O 808430269 DTSJFRBCLRHNRO-OAHLLOKOSA-N 302.374 2.052 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(Br)cc1Cl 808507079 YECWQLNYQLCGAO-UHFFFAOYSA-N 319.538 2.417 10 10 DECE Nc1c([N+](=O)[O-])ccc(NCCc2ccc(O)c(O)c2)c1F 811810876 GZPNMYPJDCWPPE-UHFFFAOYSA-N 307.281 2.382 10 10 DECE COCc1cnc(CNC[C@@H](N)c2ccc(N(C)C)cc2)s1 841045117 IBNXXYGDCDJOBO-OAHLLOKOSA-N 320.462 2.145 10 10 DECE CCOc1cccc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1O 850353750 LUQWWOGXZSKWKA-NUEKZKHPSA-N 323.433 2.447 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@H]2CCOC2(C)C)c1 853737390 FTQHTNHSNIHLTJ-GFCCVEGCSA-N 308.378 2.015 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCOC[C@@H]3C)C2)cc1 855226925 UUOOXZUGAAWQEG-GRDNDAEWSA-N 318.417 2.063 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CSC)C2)cc1 855229697 BYKLGLNGWCTANF-OLZOCXBDSA-N 308.447 2.389 10 10 DECE C/C=C\CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 858891469 XIAFYSOGOPNFHM-ARJAWSKDSA-N 303.406 2.493 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cnn(CC2CCCC2)c1 866769239 IQXHWGBDITZPRT-UHFFFAOYSA-N 315.373 2.415 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C1CCC1)[C@H]1CCOC1 871302789 VBJDHTUNVREQDC-HHQVKEKDSA-N 317.385 2.432 10 10 DECE COC(=O)[C@@H]1[C@@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F 894207992 CELCVDVORIJDLR-MFKMUULPSA-N 316.323 2.036 10 10 DECE COc1ccc(CNCCN2C[C@@H]3CCCCN3C2=O)cc1C 895344735 WPRJMSAABHIKEL-INIZCTEOSA-N 317.433 2.383 10 10 DECE CN(Cc1cc(-c2ccccc2)ccc1O)C1CS(=O)(=O)C1 895400688 KMPGMDZVXOWJOW-UHFFFAOYSA-N 317.410 2.288 10 10 DECE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)N1C 897856633 PELAJKPCKCVETM-AOOOYVTPSA-N 320.414 2.477 10 10 DECE COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@@H](N)C1 903981388 CPQQQTPXRFFRHV-QWRGUYRKSA-N 304.312 2.112 10 10 DECE C[C@@H]1COC[C@@H](C)C1NCc1ccc(N2CCC(O)CC2)cc1 926723872 GMJWUBFCFVPVIR-HUUCEWRRSA-N 318.461 2.408 10 10 DECE CC[C@H](NCc1nc(O)c2c(n1)CCOC2)c1ccccc1O 1118933906 VPJFKVHSVLKFDK-ZDUSSCGKSA-N 315.373 2.201 10 10 DECE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)n1ccnc1 1162612292 GMSOENIHSYEKPN-LBPRGKRZSA-N 310.357 2.404 10 10 DECE CCc1nnc(N(C)OC)n1Cc1ccc2c(c1)CCCN2C 1292870420 ZESXBYHQHBQPJT-UHFFFAOYSA-N 315.421 2.269 10 10 DECE Cc1cc(C(=O)N2NC(=O)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 1440964638 BOOAEEBDINLOMS-NSHDSACASA-N 315.348 2.499 10 10 DECE COc1ccc(O)c([C@@H]2CNCCN2C(=O)OC(C)(C)C)c1 1536004093 UUAVEIDDMNOHNM-ZDUSSCGKSA-N 308.378 2.282 10 10 DECE CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CC)C(=O)OCC 1567549104 DIUVTRPHXPKOCG-ZDUSSCGKSA-N 323.389 2.221 10 10 DECE O=C(CCSc1ccccn1)NCc1c(O)cccc1O 1597569606 PYVZRGGFOHWUEA-UHFFFAOYSA-N 304.371 2.291 10 10 DECE COc1ccc(CNC(=O)c2ccc3cnccc3n2)c(O)c1 1617753601 RVIPCMRQLVJZSX-UHFFFAOYSA-N 309.325 2.274 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@@H]1Cc2ccccc2S1 1626838045 MPZYLOPGBFGEPM-HNNXBMFYSA-N 301.367 2.431 10 10 DECE O=C(NCc1cccc2c1OCC2)NCc1c(O)cccc1F 1638636473 UQFXJXQMSIWOOT-UHFFFAOYSA-N 316.332 2.466 10 10 DECE COc1ccccc1OCCC(=O)NCc1c(O)cccc1O 1647268641 AHZYDPURWNRJDZ-UHFFFAOYSA-N 317.341 2.192 10 10 DECE COC[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1666865227 RALPNCUKWSQCGD-GJZGRUSLSA-N 322.449 2.223 10 10 DECE CC[C@H](CNC(=O)c1cocn1)NCc1ccc(OC)c(C)c1 1698597361 VGZTWTZNKLFRME-CQSZACIVSA-N 317.389 2.290 10 10 DECE O=C1CSC(=S)N1CCC(=O)N1CCCc2ccccc21 1865766040 SNQGOJQXORVMSZ-UHFFFAOYSA-N 320.439 2.216 10 10 DECE 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DECE CCC(=O)OCOc1ccc(C=C2SC(=S)NC2=O)cc1 2297318050 UDMYXWOOPURAMK-UHFFFAOYSA-N 323.395 2.465 10 10 DECE Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 2313540738 QZAQNPUAIWDXIZ-UHFFFAOYSA-N 310.309 2.250 10 10 DECE CN[C@@H](C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327791964 GKMSRBUAVLNYIN-VIFPVBQESA-N 315.211 2.029 10 10 DECE Cc1ccc(CN2C[C@@H](O)C(F)(F)C2)c(O)c1Br 2327797268 TUPIDANRUNGVMI-SECBINFHSA-N 322.149 2.275 10 10 DECE Cn1ccnc1CCNCc1cc(Br)ccc1O 105450182 OPQKJZCFLYGPTJ-UHFFFAOYSA-N 310.195 2.221 10 10 DECE COc1cccc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)c1 8188528 ICAOAKYKRILHGM-UHFFFAOYSA-N 309.325 2.175 10 10 DECE Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(C)c2n1 175127578 UTBFAVXUEXEXAP-UHFFFAOYSA-N 323.400 2.273 10 10 DECE Nc1ccc(O)c(CNC(=O)COc2cccc(Cl)c2)c1 51018221 PRTBNQDMETUKLF-UHFFFAOYSA-N 306.749 2.323 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1CCS(=O)(=O)CC1 36331677 XSOQGJVTEHEQKV-YPMHNXCESA-N 309.431 2.416 10 10 DECE Cc1cc(NS(=O)(=O)c2nccnc2Cl)cc(C)c1O 2366464807 FASSXTZLCOGMIL-UHFFFAOYSA-N 313.766 2.253 10 10 DECE Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN=[N+]=[N-])cc1C 42013283 HMGDNKBMVDXCOX-UHFFFAOYSA-N 313.339 2.190 10 10 DECE O=C(N1CCOCC1)N1CCc2cc(N3CCCC3)ccc21 41121370 FRXYMBHNRKZSMD-UHFFFAOYSA-N 301.390 2.102 10 10 DECE COC(=O)CCCNCc1cc(Br)ccc1O 234525375 XQMMOAFMMUFEJW-UHFFFAOYSA-N 302.168 2.198 10 10 DECE CNCc1ccc(N2CCC[C@H](CO)C2)c(Br)c1 234443527 HZSLXQHRZWOGTD-LBPRGKRZSA-N 313.239 2.377 10 10 DECE Cc1cc(Br)cc(CN2C[C@H](O)C3(CC3)C2)c1O 368798475 FEPQMOIBRRGHKG-LBPRGKRZSA-N 312.207 2.420 10 10 DECE OC[C@@H]1CN(Cc2cccc3c2CCNC3)c2ccccc2O1 662259065 PKRDXFGLRCBPKS-INIZCTEOSA-N 310.397 2.092 10 10 DECE CC(C)CN1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588404084 GGMGOUQICTUULU-XQRVVYSFSA-N 318.417 2.348 10 10 DECE COCCn1cc(CNC/C=C/c2ccc(N(C)C)cc2)cn1 835049082 FHKUJEFIXUPIBK-SNAWJCMRSA-N 314.433 2.399 10 10 DECE CCc1cccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O 848889511 KGQIHGOIVQJVEY-HOTGVXAUSA-N 302.418 2.445 10 10 DECE COc1ccc(N2CCN(Cc3[nH]c(C)nc3C)CC2)cc1 929152856 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309.369 2.426 10 10 DECE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1O 1635793661 BVFBAGRJUQAVIG-SNVBAGLBSA-N 324.336 2.109 10 10 DECE CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cc(O)cs1 1635638185 FWGYMWJCPHDFNS-GFCCVEGCSA-N 302.355 2.010 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)[C@H]2CCOC2)cc1C 1568611994 LRFXAPDIOGRPPE-HOCLYGCPSA-N 320.433 2.025 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1cccc(F)c1 1566344084 SCRMLJOPQSUDIV-BTDLBPIBSA-N 319.332 2.018 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)Nc1c[nH]nc1Br 1570779943 AJZQWGPPVFRVBW-RQOWECAXSA-N 324.134 2.235 10 10 DECE Cn1ncc(Br)c1/C=C1/SC(S)=NC1=O 2573459 OFRUPEKXCQFKJI-QHHAFSJGSA-N 304.194 2.083 10 10 DECE CCOc1ccccc1NC(=O)CCN1C(=O)CSC1=S 1865769406 ZULFGFJFWFSTCY-UHFFFAOYSA-N 324.427 2.274 10 10 DECE [N-]=[N+]=NC[C@H]1CCCCN(CCS(=O)(=O)C(F)(F)F)C1 1912190862 KMHQNCSZDSVRSJ-SECBINFHSA-N 314.333 2.333 10 10 DECE CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)C3COC3)cc21 1915683060 CUPQETBYVBRPKX-GOSISDBHSA-N 323.396 2.068 10 10 DECE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)c1ccccc1O 1920372954 PXUQWQWJCWIHKV-YLVFBTJISA-N 322.405 2.152 10 10 DECE NN[C@H](c1ccccc1O)c1nscc1Br 1936973779 IFRIMVGXYZRPAT-SECBINFHSA-N 300.181 2.164 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1c1cccc(O)c1O 1952591616 ZKJHFSZSSMTWLQ-AAEUAGOBSA-N 308.378 2.497 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@@]21C(=O)NCCCN=[N+]=[N-] 1985100803 JDUCTWNYKVIEJK-FIXISWKDSA-N 323.397 2.496 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CC(N=[N+]=[N-])C3)C[C@H]2C1 1985101977 AASXQWXULCJLRC-ZUZCIYMTSA-N 321.381 2.155 10 10 DECE CN1C(=O)[C@@H](O)c2ccc(N3CC(OCc4ccccc4)C3)cc21 1998345763 CGCKXUNGBAUVGT-SFHVURJKSA-N 324.380 2.102 10 10 DECE Cn1cc(Br)c(=NCc2ccc(F)cc2O)[nH]1 2024888884 XKWVGVPVOUKUSS-UHFFFAOYSA-N 300.131 2.061 10 10 DECE NCc1ccc(N2CC3(CC=CCO3)C2)c(Br)c1 2033921514 JDRNSBIACWOQFS-UHFFFAOYSA-N 309.207 2.443 10 10 DECE CN1CCCc2cc(CNC(=O)C=Cc3cnn(C)c3)ccc21 2041528757 ZOEMUFSINVJTCR-UHFFFAOYSA-N 310.401 2.132 10 10 DECE C[C@H](CS(C)(=O)=O)N(C)[C@H](C)c1cc(Cl)ccc1O 688543414 NHGWUAWKYXSYEI-NXEZZACHSA-N 305.827 2.472 10 10 DECE COc1cccc(O)c1[C@@H](C)n1cc(C(=O)NC2CC2)cn1 2069958121 ZUFCEIJPDVJRBI-SNVBAGLBSA-N 301.346 2.099 10 10 DECE NCc1ccc(N2CCC[C@@H]2C2(O)CC2)c(Br)c1 2066925262 KGXXUMCSNGBOHL-CYBMUJFWSA-N 311.223 2.402 10 10 DECE CN(CC1(Br)CC1)C(=O)COc1ccc(N)cc1 2076250225 LAFQWQHRTHNIQU-UHFFFAOYSA-N 313.195 2.034 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NCc2ccc(O)c(O)c2)C1 2212385256 FRTIXJAJDRZAIF-SJKOYZFVSA-N 320.389 2.197 10 10 DECE CSc1ncc(CN[C@@H](C)CS(=O)(=O)C(C)C)s1 2257093518 MGAAEAVQGFTEJH-VIFPVBQESA-N 308.494 2.166 10 10 DECE CSc1ncc(CNC[C@@H]2CN(C(C)C)CCO2)s1 2269092902 LRVUFVRHISKUOW-LLVKDONJSA-N 301.481 2.064 10 10 DECE O=C(C=Cc1cncc(O)c1)N1CCc2c1cccc2[N+](=O)[O-] 2308028497 RUVGGNSPXPJMPD-UHFFFAOYSA-N 311.297 2.298 10 10 DECE N[C@H]1[C@@H]2CC[C@H]1N(Cc1cc(Br)cc(F)c1O)C2 2310482531 KWBQVZQERAFBAS-HFKOZYHYSA-N 315.186 2.215 10 10 DECE CCOC(=O)CN(C)Cc1ccc(C)c(Br)c1O 2327539120 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10 DECE COc1ccc(N2CCCN(CCC(OC)OC)CC2)cc1 851732798 CPJXASXFYSQLPV-UHFFFAOYSA-N 308.422 2.216 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2ccnn2C)c1 866612845 CEBWLVIRYAGKJC-MNOVXSKESA-N 303.362 2.324 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c1 868899457 VMLJFFVDURJZHZ-FBKDDSFISA-N 308.378 2.327 10 10 DECE COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(F)ccc2O)C1 775997880 DKVFAJOGXABCBT-VXGBXAGGSA-N 310.369 2.488 10 10 DECE COc1ccc(O)c(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1 775706394 QHQGGVCBSLHREO-UHFFFAOYSA-N 306.406 2.232 10 10 DECE Oc1c(F)cc(Cl)cc1CNC1(c2nn[nH]n2)CCCC1 770667370 QBVWKYIWPYOYJN-UHFFFAOYSA-N 311.748 2.257 10 10 DECE O=C(NCC[C@H](O)C(F)F)c1cc2cc(O)c(O)cc2s1 899162290 YOXSMNICSBUOTB-ZETCQYMHSA-N 317.313 2.058 10 10 DECE C[C@H]1CN(CCCCN=[N+]=[N-])CC[C@@H]1NC(=O)C(F)(F)F 1962302962 DPSLMDMYSWLKFU-UWVGGRQHSA-N 307.320 2.466 10 10 DECE CN1CCC(n2cc(NC(=O)c3cc(O)cs3)cn2)CC1 1329587702 NGDZWLXNHMMTCQ-UHFFFAOYSA-N 306.391 2.169 10 10 DECE CCOc1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865768770 RLPUAMCLDIRBMG-UHFFFAOYSA-N 324.427 2.274 10 10 DECE CC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865768785 RZGGGWXMAPZCLR-UHFFFAOYSA-N 322.411 2.078 10 10 DECE COc1ccc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)s1 2117729517 WXFNYSHUCZBCJD-UHFFFAOYSA-N 302.381 2.126 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1cnc(C)s1 1534719786 WKIQYIHIBSGPHR-HJWRWDBZSA-N 315.398 2.487 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H](N(C)C)C2)cc1 1463721091 CIIFRZGWFHVNHV-WBVHZDCISA-N 303.450 2.489 10 10 DECE COC(=O)c1cc(F)cc(C(=O)NCc2c(O)cccc2F)c1 1558457711 SNGXUJNBLXXWHV-UHFFFAOYSA-N 321.279 2.387 10 10 DECE CCS(=O)(=O)[C@H]1CCN(Cc2cccc(Cl)c2O)C1 2123312873 XEQAQHUZEQRJSX-NSHDSACASA-N 303.811 2.055 10 10 DECE C[C@H](C(=O)NCc1cc(O)ccc1O)n1cnc2ccccc21 1651222102 ADXJUTSXKCDKFQ-LLVKDONJSA-N 311.341 2.325 10 10 DECE O=C(C[C@@H]1OCCc2ccccc21)NCc1c(O)cccc1O 1597573493 FAQMWQXLBYLZIK-KRWDZBQOSA-N 313.353 2.418 10 10 DECE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)NCCCN=[N+]=[N-] 1964884732 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CC1(C)CC(=O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 862773192 VVPRIZNTGZIQIR-XQRVVYSFSA-N 303.358 2.329 10 10 DECE CCN1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccccc1O 865269107 AELBUUHWAHSGBK-QWHCGFSZSA-N 307.463 2.402 10 10 DECE Cc1c(C(=O)NCc2ccc(O)c(O)c2)sc2nccn12 778916682 NMKZURZPPROYGG-UHFFFAOYSA-N 303.343 2.045 10 10 DECE CC(C)(CO)CCNC(=O)c1cc2cc(O)c(O)cc2s1 897879306 HITWDWUXHFZJNN-UHFFFAOYSA-N 309.387 2.451 10 10 DECE Oc1cc2c(cc1CN1CC[C@@H](c3ccccn3)C1)[C@@H](O)CO2 799158394 KGVNKWFLMZVATO-PXAZEXFGSA-N 312.369 2.203 10 10 DECE Cc1nc2ccnn2c(C)c1C(=O)NCc1c(O)cccc1F 1303876122 VNXSMPKULGYJON-UHFFFAOYSA-N 314.320 2.121 10 10 DECE Oc1ccc(CNCC2CN(Cc3ccccc3)C2)c(O)c1O 716271914 RHGBXOISKXBYQQ-UHFFFAOYSA-N 314.385 2.025 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccc(OCC(F)F)nc1 1469159484 KJMFHOIBZGFALD-UHFFFAOYSA-N 324.283 2.067 10 10 DECE CN(C)[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C 1469333254 POGYNCWGYSJTCK-STQMWFEESA-N 317.393 2.308 10 10 DECE CN(C)c1ccc(CNC(=O)CN(C#N)c2ccccc2)cc1 1472997035 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2.186 10 10 DECE CC(C)(C)OC(=O)NCCONCc1cc(F)cc(F)c1O 1928514753 HAGSABWQWBDHAC-UHFFFAOYSA-N 318.320 2.216 10 10 DECE Nc1ccc(N2C(=O)[C@]34CCC[C@@]3(C4)C2=O)cc1Br 2142232964 WYXILQJUQRSBJL-ZIAGYGMSSA-N 321.174 2.465 10 10 DECE C[C@]1(CO)CCN1c1cc(Br)c(CN)cc1F 1947979054 CPHTUHCNZQSLFJ-GFCCVEGCSA-N 303.175 2.008 10 10 DECE O=C(O)[C@H]1CCN[C@H](c2cc(Br)cc(F)c2O)C1 1952536401 HOLWNVXDNQBXRE-WKEGUHRASA-N 318.142 2.419 10 10 DECE CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1c1cc(N)ccc1O 1953008965 ICHCYRNBAVPEHW-WCQYABFASA-N 307.394 2.244 10 10 DECE CCN1CCc2cc(C3(N)CN(C(=O)OC(C)(C)C)C3)ccc21 1977957129 CIWCHOLVGYXZPU-UHFFFAOYSA-N 317.433 2.474 10 10 DECE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(N)c1ccccc1O 1993628843 ZFHRCVMMBLJPCV-GUYCJALGSA-N 322.405 2.248 10 10 DECE C[C@H](N[C@H](C)[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O 2146117620 KOXIFSSUIHRQAZ-VWYCJHECSA-N 301.383 2.005 10 10 DECE C[C@@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Cl 2148780664 CIWSALOILBQPSW-GHMZBOCLSA-N 317.838 2.264 10 10 DECE NS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 164929565 ROYWTEVOUXCCBY-UHFFFAOYSA-N 312.778 2.305 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151271157 BYPDEJWNJSORIK-GLXFQSAKSA-N 315.822 2.017 10 10 DECE O=C(O)CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2153156380 OWQNZPYTEHTTIC-JTQLQIEISA-N 320.172 2.375 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@H]2NCC[C@@H]21 2027167332 MEWZUFLGNVHTFU-OLZOCXBDSA-N 311.223 2.481 10 10 DECE CNCc1ccc(N2C[C@@H](C)[C@@H](CO)C2)cc1Br 708160192 CPHVRDNDOGNDCG-ZYHUDNBSSA-N 313.239 2.233 10 10 DECE C[C@@H](N)c1ccc(N(C)CC[S@@](C)=O)cc1Br 399270410 UAPGKXJQECEFMC-VVVCHXIZSA-N 319.268 2.284 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2179605392 ZQTLEKQVOVDOJF-YIZRAAEISA-N 312.317 2.289 10 10 DECE COc1ncc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)s1 2208566252 APTCDOOSRMENHG-UHFFFAOYSA-N 314.388 2.275 10 10 DECE CN(CCc1cnn(C)c1)c1ccc(CO)c(Br)c1 2225733076 PXBQJSOHPSQWCK-UHFFFAOYSA-N 324.222 2.354 10 10 DECE CSc1ncc(CNCc2cnsc2C(=O)O)s1 2256965173 JNTBLTBLPCPXLT-UHFFFAOYSA-N 301.418 2.310 10 10 DECE O=C(O)[C@H]1CC[C@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 2279197163 PTTGBJOYGBQJIK-GXSJLCMTSA-N 320.172 2.109 10 10 DECE CSc1ncc(CNS(=O)(=O)c2ccc(F)cc2)s1 2269240651 FYXXAPQRWIPBPC-UHFFFAOYSA-N 318.420 2.483 10 10 DECE CSc1ncc(CNC(=O)[C@@]23C[C@@H]2[C@H]2CC[C@H](C3)N2)s1 2284499751 MXXPWOGOJPMUQC-PYUPQCDSSA-N 309.460 2.012 10 10 DECE CSc1ncc(CNC(=O)NCC[C@@H](C)CC(=O)O)s1 2284504707 OLYHLUGOYMWUHA-MRVPVSSYSA-N 317.436 2.165 10 10 DECE Cc1ccc(CN2C(=O)C[C@@H](C)C2=O)c(O)c1Br 2327796188 CVKOGSLXCVOTLF-MRVPVSSYSA-N 312.163 2.358 10 10 DECE CN1CCCc2cc([C@]3(N)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2354967642 BHUPGVXJSFPNBD-XYJFISCASA-N 314.429 2.396 10 10 DECE COc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c1 179344615 NKTFFDOYCAVCIJ-HNNXBMFYSA-N 318.417 2.139 10 10 DECE C[C@H]1CN(C2CCN(Cc3cc(F)ccc3O)CC2)CCO1 179945118 ZAXOLAIJLXULLL-ZDUSSCGKSA-N 308.397 2.216 10 10 DECE O=C1N(CC2CC2)[C@H](c2ccc(O)c(O)c2)NC12CCCC2 178541942 FHLJDOVCKSUHKA-OAHLLOKOSA-N 302.374 2.251 10 10 DECE Cc1ccccc1-n1c(C)cc(C(=O)NCc2ncnn2C)c1C 173384704 JIOFMEJQYMPISS-UHFFFAOYSA-N 323.400 2.461 10 10 DECE CN(C[C@@H]1CCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2360441026 SYURGERBRWZWRU-NSHDSACASA-N 304.362 2.076 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCN2CCC[C@@H]12 218093421 YNBUOUIIYZNKEU-STQMWFEESA-N 311.223 2.481 10 10 DECE CN(C[C@H]1CCCN1C)c1ccc(CN)c(Br)c1 228154104 AWEIHYRBLPWVJY-CYBMUJFWSA-N 312.255 2.438 10 10 DECE CCN[C@@H]1C(=O)Nc2cc(N3CCCOCC3)c(Cl)cc21 92751782 FWUFYFVYKXBAJB-AWEZNQCLSA-N 309.797 2.169 10 10 DECE Cc1cc([C@H](NCCN=[N+]=[N-])C(N)=O)ccc1Br 91471954 KUNUEIKYTWDBGG-JTQLQIEISA-N 312.171 2.184 10 10 DECE C[C@H](CN(C)Cc1cc(Br)ccc1O)C(=O)O 235467344 YWEDQHULRAVSCS-MRVPVSSYSA-N 302.168 2.307 10 10 DECE COc1cc(O)c(CNC[C@@H](O)Cc2ccccc2)cc1OC 289725305 HMYXUQMVNZKWOJ-HNNXBMFYSA-N 317.385 2.103 10 10 DECE COC1(c2ccccc2)CN(Cc2cc3c(cc2O)OCO3)C1 839100509 XDXFYFQWXRSTQN-UHFFFAOYSA-N 313.353 2.478 10 10 DECE C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](C(=O)O)C1(C)C 849366332 RGRADXHZJFFNDO-DDTOSNHZSA-N 304.390 2.063 10 10 DECE Oc1cccc(Cl)c1CNCC1(C2(O)CCOCC2)CC1 922596597 NILRWJZHZARUQP-UHFFFAOYSA-N 311.809 2.457 10 10 DECE Cc1cc(Br)c(O)c(CN2CC[C@@H](F)[C@H](N)C2)c1 853248771 YXCQRLJTAKIIHK-VXGBXAGGSA-N 317.202 2.334 10 10 DECE CCn1cncc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 850346789 KBQXDPUPLCAWOO-AWEZNQCLSA-N 300.406 2.280 10 10 DECE COCc1n[nH]c(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1 850514563 NNYBTKSAAPAVNU-PSASIEDQSA-N 306.341 2.134 10 10 DECE Oc1cccc2c1[C@H](NCCn1ncc(Br)n1)CC2 1876001358 BYHTWQFQXZZRKV-SNVBAGLBSA-N 323.194 2.023 10 10 DECE COc1cc(CN(C)C(=O)Cc2ccc(O)c(O)c2)ccc1O 1137344374 JKTVJVIZMQIPDP-UHFFFAOYSA-N 317.341 2.013 10 10 DECE COC(=O)[C@H]1[C@H](CNCc2ccc(N(C)C)c(F)c2)C1(F)F 894207991 CELCVDVORIJDLR-GXFFZTMASA-N 316.323 2.036 10 10 DECE COc1ccc(N2CCN(C(=O)N3CC[C@H](C)C3)CC2)cc1 799995864 AHOJVNPTYFGNCP-AWEZNQCLSA-N 303.406 2.279 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(Cc3ccc(N)cc3)C[C@@H]21 1959947079 OSOQAVFNFFBECS-FICVDOATSA-N 303.406 2.224 10 10 DECE COc1ccc(CC(=O)NCc2cc(O)ccc2O)c(C)c1 1303227722 PGQINWHJZINKFL-UHFFFAOYSA-N 301.342 2.274 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccc(-n2cccn2)nc1 1178410514 QYXZMUJREXTCNF-UHFFFAOYSA-N 312.304 2.042 10 10 DECE C[C@H]1CN(c2ccc([C@@H](C)O)cc2Cl)CCS1(=O)=O 707382325 WCROAOAJNXXTNU-VHSXEESVSA-N 303.811 2.017 10 10 DECE CN1C[C@H]2[C@@H](NC(=O)NCc3cc(Cl)ccc3O)CC[C@H]2C1 1347235571 ZPONGTCIHBCHLD-GDLCADMTSA-N 323.824 2.185 10 10 DECE CC(C)C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261858576 VIXDOVQXCYPVPS-CYBMUJFWSA-N 316.401 2.129 10 10 DECE CO[C@](C)(C(=O)NCc1ccc(O)cc1O)c1ccccc1F 1299574492 RFZYZCUFRQYRID-KRWDZBQOSA-N 319.332 2.415 10 10 DECE O=C(/C=C/c1ccncn1)NCc1ccc(N2CCCC2)cc1 1464076504 LQSWEDYATNQUBI-VMPITWQZSA-N 308.385 2.406 10 10 DECE CSc1ccc(O)c(C(=O)NCc2ccc(O)cc2O)c1 1469160852 VEHGFNQMGFOTAJ-UHFFFAOYSA-N 305.355 2.455 10 10 DECE COc1ccc(C(=O)NCc2cc(C)ccc2O)c(N)c1F 1470254024 DNQZRHATLZCEKQ-UHFFFAOYSA-N 304.321 2.361 10 10 DECE CC1(C)CCC[C@](CO)(NC(=O)Cc2ccc(O)c(O)c2)C1 1629638471 KRVCAUSYCJIANR-KRWDZBQOSA-N 307.390 2.088 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ncc2ccccc2c1O 1643104353 VGJAJWGMWSMGPC-UHFFFAOYSA-N 310.309 2.282 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)C(=O)C(C)(C)C)cc1C 1662184060 GBXPIUDRVSFNDM-ZDUSSCGKSA-N 320.433 2.213 10 10 DECE CNS(=O)(=O)c1ccc(NCc2cccc(C)c2O)cc1 165010052 CKCUPIBTGDYVCI-UHFFFAOYSA-N 306.387 2.221 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)c2ccns2)C1 1912202030 ARJQNIPHGMLHIT-VIFPVBQESA-N 301.397 2.244 10 10 DECE C[C@H](O)c1ccc(N(CC(N)=O)Cc2ccccc2)c(F)c1 1931974248 LONSISHUVQYKLT-LBPRGKRZSA-N 302.349 2.371 10 10 DECE Cc1cccc(CN[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O 1937553855 CKZKDLDCUDTIOY-KBPBESRZSA-N 322.405 2.082 10 10 DECE CC(=O)C(=O)[C@@H](O)c1ccc(Br)c(Cl)c1F 1939342012 NPNKPKNPLLXCIL-JTQLQIEISA-N 309.518 2.433 10 10 DECE Oc1ccc(Br)cc1CNCCc1nncs1 1945655681 KAQHLKGXCNVVLC-UHFFFAOYSA-N 314.208 2.339 10 10 DECE Cn1cc(Br)c(=NCc2cc(F)ccc2O)[nH]1 1949993669 UYRGNQMGPIXUMQ-UHFFFAOYSA-N 300.131 2.061 10 10 DECE Oc1ccc(I)cc1[C@@H]1NCC[C@H]1F 1952824290 ANXSMKZYSQECRD-SCZZXKLOSA-N 307.106 2.369 10 10 DECE C[C@@H](O)c1ccc(N2CC([S@](C)=O)C2)cc1Br 2004516661 UOHYDYXZTPOOFG-RBHXEPJQSA-N 318.236 2.070 10 10 DECE CN(CCN=[N+]=[N-])C(=O)c1conc1CNC(=O)OC(C)(C)C 1985096566 SXFSYLITCNUXQT-UHFFFAOYSA-N 324.341 2.082 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H](C)CC(N)=O)c(Br)c1 2033935119 YSPUSQFQOXQYMR-BDAKNGLRSA-N 315.211 2.203 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)[C@]1(C(=O)O)CCOC1 312613385 VKZLUOQYKHICLK-CYBMUJFWSA-N 320.172 2.375 10 10 DECE Nc1ccc(CC(=O)OCCn2cc(Br)cn2)cc1 692298637 NJMGGZOLYSXGLT-UHFFFAOYSA-N 324.178 2.014 10 10 DECE CSC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 383251739 FAQSBQYIEZSYCN-CYBMUJFWSA-N 314.476 2.174 10 10 DECE CNCc1ccc(N2CC[C@H](CO)[C@H]2C)c(Br)c1 385605489 DOOWLOHSAWVCTM-ZYHUDNBSSA-N 313.239 2.376 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1Cl 2170261286 NVBQLIIMVGEBQJ-WDEREUQCSA-N 316.854 2.071 10 10 DECE C[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H]1C(=O)O 1910997107 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10 DECE CN(CC1(CO)CC1)C(=O)NCCCSc1nccs1 187302731 AMYIXQNPBFMXKY-UHFFFAOYSA-N 315.464 2.039 10 10 DECE O=C(NCc1ccnc(OCC(F)F)c1)c1cccc(O)c1O 193152521 FKEVOUXHGZBBQB-UHFFFAOYSA-N 324.283 2.067 10 10 DECE COc1ccc(O)c(CN[C@@H](c2cccnc2)c2ncc[nH]2)c1 195070851 QTEBNLPPGFMXGD-INIZCTEOSA-N 310.357 2.398 10 10 DECE CCNCc1ccc(N(C)[C@@H](C)CO)cc1Br 233511923 WCVBBROGYQNIHH-JTQLQIEISA-N 301.228 2.376 10 10 DECE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccccc1Br 90258080 SKDYMXMNVPANGC-LLVKDONJSA-N 312.171 2.050 10 10 DECE Oc1cc2c(cc1CN1CCO[C@H]([C@H]3CCCO3)C1)CCC2 246180989 HACKOIUOWKBDDW-MSOLQXFVSA-N 303.402 2.261 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1O 249552498 LGJCYHMTJXCSIN-XAZSNKFNSA-N 324.764 2.155 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCC12CCOCC2 370082754 NVXNYILPCBWXOI-UHFFFAOYSA-N 302.418 2.278 10 10 DECE CCN1CCc2cc([C@]3(O)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2167055896 VSFHREHDYLBKSF-LZLYRXPVSA-N 315.413 2.430 10 10 DECE CNC(=O)[C@@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O 824596916 KPBSYKVZZUHJDP-HNNXBMFYSA-N 320.433 2.409 10 10 DECE Cc1cc(CC(=O)N[C@H](C)CC(N)=O)c(C)n1-c1ccccc1 828600435 JSHGDGLFSWBUBR-GFCCVEGCSA-N 313.401 2.017 10 10 DECE CCOc1ccc(O)c(CN2CCc3sc(CN)nc3C2)c1 903941018 LPLXHONRWRGNFI-UHFFFAOYSA-N 319.430 2.264 10 10 DECE C[C@@H](CN1CCOCC1)NC/C=C\c1ccc(N(C)C)cc1 835035766 LXNIAVIGTCNIIC-AWFCHZOYSA-N 303.450 2.076 10 10 DECE O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@H]2CCC[C@H]21 840146151 OYYYGLAVKLOWHB-DOTOQJQBSA-N 321.442 2.032 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(CN)CC1 846188425 OPTCKEVSNYOIKJ-UHFFFAOYSA-N 318.465 2.413 10 10 DECE C[C@H]1CN([C@@H](C)CN[C@H]2CCc3cccc(O)c32)C[C@@H](C)O1 848556902 DBMRNURJUGAWDL-AYDFFVQHSA-N 304.434 2.467 10 10 DECE Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 840949923 CKTHRHYNXTVMEZ-QXAKKESOSA-N 318.461 2.423 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](O)C(C)C 840479227 MLAIWEYOXQZUGB-WMLDXEAASA-N 321.465 2.308 10 10 DECE CC1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@H](C)N)cc2)CC1 841793404 KCQQJHLHLWALDT-GJZGRUSLSA-N 318.465 2.458 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2CCS[C@H](C)C2)c1O 927245286 JRIIKTHJTDVNKB-ZYHUDNBSSA-N 310.419 2.484 10 10 DECE Fc1cc(CNc2nccnc2F)cc(F)c1N1CCOCC1 858567172 VCAZLEFWZCSZFS-UHFFFAOYSA-N 324.306 2.343 10 10 DECE CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@H]2[C@@H](CO)C3)c1O 852775630 YZKTULJLZCCENA-GHJWDPDVSA-N 307.365 2.327 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(O)cs1 862068122 QEUXRLOCNMRGSG-UBHAPETDSA-N 324.402 2.191 10 10 DECE CC(C)(C)N1CCC[C@H](C(=O)NCc2ccccc2O)C1=O 896015773 SRYSFYGOQKZEAG-CYBMUJFWSA-N 304.390 2.046 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CC(N=[N+]=[N-])C3)[C@@H]2C1 1895875035 FBLLKKKJGVAWLS-MVWJERBFSA-N 321.381 2.011 10 10 DECE Cc1cc(C(=O)NCCc2cnoc2)c(C)n1-c1ccccn1 1147621987 MTVMSIIPKJXMAL-UHFFFAOYSA-N 310.357 2.450 10 10 DECE CC1(C)OC[C@H]2C[C@@]21NC(=O)c1ccc(N=NC(N)=O)cc1 1147384588 JSYSNENDGNTYCO-MEBBXXQBSA-N 302.334 2.146 10 10 DECE C[C@@H]1OCC[C@@]12CN(Cc1cc3c(cc1O)CCC3)CCO2 794657772 HNFPVKWHLGQVCL-SCLBCKFNSA-N 303.402 2.261 10 10 DECE O=C(O)[C@H]1CCN1Cc1cc(Cl)cc(Br)c1O 1963603531 FXOKXSDWDWHIRV-SECBINFHSA-N 320.570 2.467 10 10 DECE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(N)cccc1C(N)=O 389861444 DNERNBQJVPQSMH-CXAGYDPISA-N 324.428 2.300 10 10 DECE O=C(NCc1c(O)cccc1O)[C@@H]1COc2ccc(F)cc2C1 1178910793 IWRKKJIUPZKLBY-NSHDSACASA-N 317.316 2.104 10 10 DECE CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)on1 1454808767 XIUIXGJESHVGGE-SECBINFHSA-N 304.302 2.048 10 10 DECE CN(C)CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 214006514 QDTLZWKQGGAWMR-FMIVXFBMSA-N 308.428 2.155 10 10 DECE Cc1cccc2c1C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CO2 1470405699 WEFHRPOOWZUJJO-CYBMUJFWSA-N 313.353 2.069 10 10 DECE CN(CCc1ccc2c(c1)OCO2)C(=O)c1cccc(O)c1O 1558389173 RXKYDOPWWHUJSY-UHFFFAOYSA-N 315.325 2.141 10 10 DECE COc1ccc(CNCC[C@@H](C)NC(=O)C(F)F)cc1C 1482806492 YOXNJQMKAQUXJT-LLVKDONJSA-N 300.349 2.253 10 10 DECE O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1c(F)ccc(O)c1O 1638585126 KCHLHDZQGWECAF-UHFFFAOYSA-N 314.272 2.331 10 10 DECE Cc1cccc2c1O[C@H](C(=O)NCc1c(O)cccc1F)C2 1646035528 XWXJZUAMKVLMPB-HNNXBMFYSA-N 301.317 2.460 10 10 DECE O=C(O)C=Cc1ccc(N2CCC[S@@](=O)CC2)cc1Cl 1912068369 RPJNJQRPRYFKIE-HXUWFJFHSA-N 313.806 2.397 10 10 DECE C[C@@H]1SC(=S)N(CCCC(=O)Nc2nccs2)C1=O 11636138 VSNUMVSUMUQQNY-ZETCQYMHSA-N 315.445 2.111 10 10 DECE Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2ccccc2O)n[nH]1 158357567 GADOPRKYUOSCSN-LLVKDONJSA-N 302.378 2.196 10 10 DECE Cc1c(C(=O)N(C)c2ccc(N)cc2)c(Br)nn1C 2131591559 GBDKDMQZWCOFRL-UHFFFAOYSA-N 323.194 2.350 10 10 DECE Nc1ccc(CC(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1 1950099068 XALBSTMCKYNTEN-PXNSSMCTSA-N 321.424 2.202 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(O)cc2O)CC1 1952060524 FCEDXLXLOJZSSX-CYBMUJFWSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N1CCCN[C@@H](c2ccc(O)cc2O)C1 1952060861 GPOUCSGBFJNCMJ-CYBMUJFWSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1Cc1ccc(O)c(O)c1 1952134610 FSRIKGNBICNXAI-OLZOCXBDSA-N 322.405 2.367 10 10 DECE CC(C)(C)OC(=O)NC1CC(NC(=O)Nc2ccc(N)cc2)C1 1977701377 VMPJLKJUQBUHCU-UHFFFAOYSA-N 320.393 2.446 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N1CC(N=[N+]=[N-])C1 1985103250 SCMIGFNVNNOWJM-SNVBAGLBSA-N 324.385 2.042 10 10 DECE CC[C@@H](NC[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1985771717 LQUAYKNCUOMLHV-TZMCWYRMSA-N 324.421 2.319 10 10 DECE C[C@H](NCc1c(O)cccc1Cl)[C@@H]1CCCS(=O)(=O)C1 2146099782 HIFFOFRYWXNDSZ-WDEREUQCSA-N 317.838 2.349 10 10 DECE C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155554079 VURBDSDCLBORGM-NWDGAFQWSA-N 301.416 2.128 10 10 DECE CO[C@H]1CCOC[C@@H]1NCc1c(O)cccc1Br 724877323 JFVWIOOBCVRWKD-AAEUAGOBSA-N 316.195 2.048 10 10 DECE Cc1nc(=NCCc2ccc(N)cc2)[nH]cc1Br 396650983 LVWHLMQSRWPSTD-UHFFFAOYSA-N 307.195 2.206 10 10 DECE CCNCc1ccc(N2CC=C[C@H](O)C2)c(Br)c1 2046471186 QQZSISOZPHBBQX-LBPRGKRZSA-N 311.223 2.296 10 10 DECE CNCc1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)cc1Br 2052055848 KAAODCPVHWZPLU-SCDSUCTJSA-N 311.223 2.128 10 10 DECE CN(c1ccc(CN)cc1Br)[C@H](CCO)C(F)F 2058226067 MPQHZYRWHNYBFM-LLVKDONJSA-N 323.181 2.360 10 10 DECE C[C@@H](O)c1cc(F)c(N2CCS[C@H](CCO)C2)c(F)c1 2194515476 RZSKCXZOBFKTCR-MWLCHTKSSA-N 303.374 2.322 10 10 DECE CCN1C[C@@H]2C[C@H]1CN2c1ccc(CN)cc1Br 2067394291 MAWBTRTWMAEVQB-RYUDHWBXSA-N 310.239 2.191 10 10 DECE CN(C)C[C@@H]1COC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2206380897 KBBWBCCPTNGJBN-ZWNOBZJWSA-N 319.232 2.365 10 10 DECE CC[C@@H](C)[C@@H](NCc1cc(Br)ccc1O)C(N)=O 2264142834 ZRHRQHSUWBUXKY-PRHODGIISA-N 315.211 2.144 10 10 DECE Cc1ccc(CN2C[C@@H]3CC[C@]3(N)C2)c(O)c1Br 2327632471 XVFDHXRKKAVRHC-FZMZJTMJSA-N 311.223 2.386 10 10 DECE Cc1ccc(CN2C[C@@H](F)C[C@@H](O)C2)c(O)c1Br 2327628498 HQFBQJLEGHBDPZ-WDEREUQCSA-N 318.186 2.368 10 10 DECE Cc1ccc(CNC(=O)c2cccnn2)c(O)c1Br 2352638587 QUBWBOHINZCHEK-UHFFFAOYSA-N 322.162 2.183 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)NCc2cscn2)c1 103515084 RZQACMOUPCOUFS-SECBINFHSA-N 307.375 2.418 10 10 DECE C[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1C[C@@H](C)O 120596055 BQRXZKMFJYKTQW-LSDHHAIUSA-N 314.429 2.432 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCSC3(CCOCC3)C2)c1 186499639 ZPMDDPHQSDODTH-UHFFFAOYSA-N 324.402 2.398 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCCO[C@H](C)C3)c(Cl)cc21 252604214 OPDXMIVBGVHWFH-YMTOWFKASA-N 309.797 2.168 10 10 DECE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1O 290802143 FKDAHPBTTPEMFI-RAIGVLPGSA-N 312.207 2.500 10 10 DECE CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 290808511 VNWMEKVSXPFMQP-KGLIPLIRSA-N 303.406 2.285 10 10 DECE Oc1cc(F)cc(F)c1[C@H](C1CCOCC1)N1CCNCC1 575274557 PTGNQCFOQCSRBF-INIZCTEOSA-N 312.360 2.043 10 10 DECE COc1ccc([C@H](C2CCOCC2)N2CCOCC2)c(O)c1 575278304 SGQNYFUCGZUNQF-KRWDZBQOSA-N 307.390 2.201 10 10 DECE CN(C)c1ccc(CNC(=O)COc2ccc(O)cc2)cc1 733887777 QZQPDNHMXMMHDV-UHFFFAOYSA-N 300.358 2.153 10 10 DECE C[C@H](CC(=O)N(C)C)NCc1ccc(Br)cc1O 691485507 BCYNTGLOESKCQU-SECBINFHSA-N 315.211 2.111 10 10 DECE CCN(OC)C(=O)CNCc1cc(Cl)cc(Cl)c1O 842768847 VPXDVPGQZUGRSV-UHFFFAOYSA-N 307.177 2.199 10 10 DECE CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCOC1 846051778 IJWXWLOQTAYMFB-LJQANCHMSA-N 317.477 2.439 10 10 DECE CCOc1ccc(CN2CCO[C@@]3(CCSC3)C2)c(O)c1 843417748 KFGPTPPLLANQQI-INIZCTEOSA-N 309.431 2.499 10 10 DECE Cc1ccc(C(=O)N2CCC(c3ccon3)CC2)c(O)c1O 856173347 LMNORARPUGIUSQ-UHFFFAOYSA-N 302.330 2.414 10 10 DECE CN(C)c1ccc(CN2C(=O)[C@H](c3cccnc3)N(C)C2=O)cc1 924444697 HTQBSUNFTNRQNP-INIZCTEOSA-N 324.384 2.283 10 10 DECE COc1ccnc(CNC(=O)N[C@H](C)c2ccccc2O)c1F 868776171 AZEOJKXODXYKIF-SNVBAGLBSA-N 319.336 2.495 10 10 DECE C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccnn1C 866166627 HJSMUFOGMAJRJD-LBPRGKRZSA-N 301.394 2.047 10 10 DECE CCc1nc(COc2ccc(N(C)C)c(C(=O)OC)c2)no1 865396339 ORMJAYZUZVDJJL-UHFFFAOYSA-N 305.334 2.064 10 10 DECE O=C(c1cc(O)cs1)N1CCO[C@H](c2cccc(O)c2)C1 768292045 JPWDREYJWAKFGS-ZDUSSCGKSA-N 305.355 2.373 10 10 DECE CNC(=O)C[C@H](NCc1cc(F)ccc1O)c1ccccc1 796037500 XEXYHFQCIHCUAN-HNNXBMFYSA-N 302.349 2.498 10 10 DECE C[C@@H](NCc1c(O)ccc(Cl)c1F)C1(S(C)(=O)=O)CC1 796491817 RDYHKSBBOAACMK-MRVPVSSYSA-N 321.801 2.240 10 10 DECE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C1=CCOCC1 1306907277 QVIQTTARNUWDJN-UHFFFAOYSA-N 309.337 2.340 10 10 DECE Cc1nn(C)c(C(=O)NCCCCN=[N+]=[N-])c1Br 1963733137 VXAGTALXFIDNGO-UHFFFAOYSA-N 315.175 2.311 10 10 DECE CN(C)c1ccc(F)cc1NC(=O)Cc1ccc(O)c(O)c1 1177123577 QPTOTMVUNDFGJQ-UHFFFAOYSA-N 304.321 2.484 10 10 DECE OCCN1CCCC[C@@H]1CNCc1ccc(N2CCCC2)cc1 1325128439 LGIFXBKPQRHZKH-LJQANCHMSA-N 317.477 2.223 10 10 DECE COc1ccc(CCNCc2cc([N+](=O)[O-])ccc2O)cn1 1331519370 HZSPPRYVRYYXRT-UHFFFAOYSA-N 303.318 2.036 10 10 DECE CCOc1ccc(N2CCN(CCO[C@@H]3CCOC3)CC2)cc1 1332684133 KFHVAVAVUDKOQY-GOSISDBHSA-N 320.433 2.013 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cnn2c1CCC2 1451959290 WTEFWAIIDAIMIW-UHFFFAOYSA-N 308.341 2.013 10 10 DECE O=Cc1cc(C(=O)NCc2cccc(Br)c2O)co1 1467763053 ATHJDGAFAJJOEJ-UHFFFAOYSA-N 324.130 2.490 10 10 DECE CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccccc1OC 1625821993 YBBSVLFAJHTJLW-UHFFFAOYSA-N 311.341 2.252 10 10 DECE CCOCC(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1725771169 CQCJNHDTIVEWBU-UHFFFAOYSA-N 320.433 2.119 10 10 DECE CCOC(OCC)[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 1685773289 VPZPNXRBFCLPFM-NSHDSACASA-N 308.378 2.205 10 10 DECE CN(C)c1ccc([C@H](CN2CC[C@H](N)C2)N2CCCCC2)cc1 36091792 FDTIZLVKLNSBRS-HKUYNNGSSA-N 316.493 2.313 10 10 DECE CCOCCOC(=O)CCNCc1cc(Cl)ccc1O 1857870503 PNFHJXYSOVJZRA-UHFFFAOYSA-N 301.770 2.105 10 10 DECE CC(C)Oc1ccc(-c2nnnn2-c2ccc(N)cc2)cc1N 1857876557 GXQPMPHGFZHAQD-UHFFFAOYSA-N 310.361 2.281 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)NCCc1ccc(O)c(O)c1 1929415406 LEPGIFUALYQVGB-LLVKDONJSA-N 310.394 2.143 10 10 DECE CN(Cc1c(Br)cnn1C)c1ccc(CN)cc1 1967636748 ZIOWZTKDLVDENC-UHFFFAOYSA-N 309.211 2.278 10 10 DECE COc1ccc(N2CCC(N)CC2)c(OC)c1Br 234970839 NFDVNIJFUILHAA-UHFFFAOYSA-N 315.211 2.394 10 10 DECE CN1CC[C@H](N)[C@@H]1c1c(O)cccc1NC(=O)OC(C)(C)C 1952975852 TWPUOYDEUGLFQQ-IINYFYTJSA-N 307.394 2.443 10 10 DECE CN(CCN=[N+]=[N-])C(=O)c1cnn(C)c1NC(=O)OC(C)(C)C 1985094822 UWFSYPFBMFDJNB-UHFFFAOYSA-N 323.357 2.149 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC[C@@H](C(F)F)C2)cc1 2149788880 GGHWQGQDJAXTPM-LLVKDONJSA-N 304.362 2.076 10 10 DECE CCN[C@@H](C)c1ccc(N(C)CCOCCO)cc1Cl 312596646 OLWFGUAHOXCWEL-LBPRGKRZSA-N 300.830 2.456 10 10 DECE Ic1ccc(N=NN2CCNCC2)cc1 2330186082 HBKRYWMWRFZENI-UHFFFAOYSA-N 316.146 2.195 10 10 DECE CN(C[C@H](O)C1CC1)c1ccc(CO)cc1Br 690224327 LWZQOVJXOHLNDS-ZDUSSCGKSA-N 300.196 2.149 10 10 DECE CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(O)c(O)c2)C1 2062380832 PKMUPPJJFZMSSB-NSHDSACASA-N 320.389 2.321 10 10 DECE COc1ccc(Br)c(CN(C)CCN(C)C)c1O 1231548557 VTVARPFKHWZSQP-UHFFFAOYSA-N 317.227 2.157 10 10 DECE CNCc1ccc(N(C)[C@@H]2CN3CC[C@H]2C3)c(Br)c1 2102505263 SFFCCNDREUASEW-SWLSCSKDSA-N 324.266 2.309 10 10 DECE CN1CCc2cc([C@@]3(N)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2110739634 DBUAXURJSMRKRN-UXLLHSPISA-N 300.402 2.006 10 10 DECE C[C@@H](NC[C@H](C1CC1)S(C)(=O)=O)c1cc(F)ccc1O 2232817420 VBJVEKKQATUGPR-YMTOWFKASA-N 301.383 2.005 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCC(F)(F)F 2225800346 QQXCGMDLADUQBI-SFYZADRCSA-N 300.306 2.480 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNCc1cccc(O)c1O 2244730283 ZNOBBYRPGGRWLJ-YPMHNXCESA-N 322.405 2.491 10 10 DECE Cc1nccn1CCCCNC(=O)C=Cc1ccc(O)c(O)c1 2308001397 DTYUDWLIDLOCAV-UHFFFAOYSA-N 315.373 2.213 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 2308005796 IDUQXHDPKPSPFW-JCURWCKSSA-N 315.369 2.185 10 10 DECE C[C@]1(O)C[C@H]2C[C@H]1N(c1ccc(CN)cc1Br)C2 2317403028 KMQSWYWCDAUXAR-HONMWMINSA-N 311.223 2.257 10 10 DECE C[C@@](C[C@H]1CCCS1(=O)=O)(Sc1nccs1)C(=O)O 2351873801 CDUWSTBOBUBHKE-KCJUWKMLSA-N 321.445 2.046 10 10 DECE COC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12 259572 ZIAPGMBYSASVTD-UHFFFAOYSA-N 315.304 2.260 10 10 DECE CCNC(=O)NC(=O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 109774015 OJZXPRFOIWNHCU-GFCCVEGCSA-N 319.405 2.146 10 10 DECE COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(N)cc1 71699617 KIMGVKFESNCTKD-UHFFFAOYSA-N 301.302 2.367 10 10 DECE CO[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1(C)C 318726454 SWHNUOGYXDILSF-IRXDYDNUSA-N 304.434 2.426 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(F)cc1O)CC2 185995163 OBUHWOUBEKKVOF-CMPLNLGQSA-N 304.369 2.351 10 10 DECE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)o1 228800257 YJLMCDWVKHWVPK-JTQLQIEISA-N 316.159 2.033 10 10 DECE Cc1cc(I)cc([C@@H](N)CCCO)c1O 238545329 KKYCBWOGWQPWKL-JTQLQIEISA-N 321.158 2.078 10 10 DECE C[C@@H](CO[C@@H]1CCOC1)NCc1cc(Cl)c(F)cc1O 293618619 MHRFAPJHFQEFGF-GXSJLCMTSA-N 303.761 2.468 10 10 DECE COc1cc([N+](=O)[O-])cc([C@H]2NC(=O)O[C@@H]2C2CCC2)c1O 725380119 HLDYAKAGHDABBL-DGCLKSJQSA-N 308.290 2.259 10 10 DECE Cc1ccc(C(=O)OCC(=O)NC2CCCCC2)c(O)c1O 727005579 SXNKEROBPHIWHC-UHFFFAOYSA-N 307.346 2.012 10 10 DECE Cc1cc(Cl)cc(CN2CCN([C@@H]3CCOC3)CC2)c1O 827119276 JJWJWLXGCNQSKD-OAHLLOKOSA-N 310.825 2.261 10 10 DECE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2c(Cl)cccc21 662605266 KWAOLHUCBVBZHS-SNVBAGLBSA-N 316.792 2.343 10 10 DECE C[C@H](CCS(C)(=O)=O)NC/C=C/c1ccc(N(C)C)cc1 835042904 LQQHVVVKTMFTLS-VBROQKIQSA-N 310.463 2.179 10 10 DECE C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)CCS1(=O)=O 835049384 QUZCFPKKNCGRQR-XVWMLYKFSA-N 322.474 2.275 10 10 DECE CN1CCC2(CC1)CN(Cc1ccc(N(C)C)c(F)c1)CCO2 843432554 YGDVLDKJDPCCJD-UHFFFAOYSA-N 321.440 2.188 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1nc2c(s1)CCC2 841402748 ABGJJPUQPNQNKR-UHFFFAOYSA-N 304.371 2.016 10 10 DECE Cc1ccc(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)s1 843299422 TYCALMZBXMVSBH-INIZCTEOSA-N 317.458 2.481 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCc2nc[nH]c2C1 845204923 NSXPDFQTCMRQRR-LLVKDONJSA-N 320.780 2.125 10 10 DECE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CNCCO1 852751878 JHTRKKONRQNTBY-RDJZCZTQSA-N 304.434 2.318 10 10 DECE COC1(OC)CC[C@H]1NCc1ccc(N2CCSCC2)cc1 924709701 ZAENAASHEZXMJV-MRXNPFEDSA-N 322.474 2.481 10 10 DECE CCCn1nccc1C(=O)C(=O)CC(C)(C)CC(=O)OCC 935944951 FHBHWKQRDBYBOX-UHFFFAOYSA-N 308.378 2.414 10 10 DECE COC(=O)CCCCC(=O)NCc1ccc2cccnc2c1O 862027529 WBDQSWLLAMIETN-UHFFFAOYSA-N 316.357 2.290 10 10 DECE C[C@@H]1C[C@]1(C(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C 1123888746 KPTUKSFTIGHHLP-QGHHPUGFSA-N 321.373 2.082 10 10 DECE Cc1cc(Br)cc(CN2C[C@H]3C[C@]3(CO)C2)c1O 783738949 DHHAHLFIGQEBTI-BXUZGUMPSA-N 312.207 2.277 10 10 DECE O=C(NCc1c(O)cccc1F)NC[C@]12C[C@H]1COC21CCC1 898674430 KIZUOPCBKJRXCR-MEDUHNTESA-N 320.364 2.290 10 10 DECE COc1ccc(O)cc1C(=O)NCc1cccc(OC)c1O 780935296 IGNNUKRPZDGAGX-UHFFFAOYSA-N 303.314 2.045 10 10 DECE C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897994557 ZJACYCMGEYSCNY-NXEZZACHSA-N 321.398 2.403 10 10 DECE O=C(NCCCNc1ccccc1F)c1cccc(O)c1O 790929745 BAAJGWYBBXFCLD-UHFFFAOYSA-N 304.321 2.469 10 10 DECE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)[C@@H]2COC[C@H]12 1899863546 HXZUAYMWNPHOGT-IPMKNSEASA-N 311.381 2.462 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 1151520232 PFVZJOFWLSQGOL-GDIGMMSISA-N 309.365 2.485 10 10 DECE O=C(NCc1cccc(O)c1O)c1ncc2ccccc2c1O 1303194440 BMTFIVXSMBDCQH-UHFFFAOYSA-N 310.309 2.282 10 10 DECE CN(C(=O)c1ccccc1CC(N)=S)c1ccc(O)cc1 58248358 UMXPWQYZULXAMC-UHFFFAOYSA-N 300.383 2.497 10 10 DECE COc1ccc2c(c1)[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1178910381 DKVLCGPMTSMZBD-ZDUSSCGKSA-N 313.353 2.453 10 10 DECE CN(C)c1ccc([C@H](C(N)=O)N(C)C(=O)OC(C)(C)C)cc1 698919100 MBAWWCHQTRKMBW-CYBMUJFWSA-N 307.394 2.146 10 10 DECE CCON(CC)C(=O)CNCc1ccc(N2CCCC2)cc1 1351340927 IOMNRPNVKOGDSO-UHFFFAOYSA-N 305.422 2.176 10 10 DECE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cnn(C)c1 1544363690 SFOOGIFYNMFWPE-SECBINFHSA-N 300.322 2.074 10 10 DECE COCc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1629874671 XTCDLIMBEMKAPP-UHFFFAOYSA-N 301.342 2.103 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC2(CF)CCOCC2)cc1 1628787037 NXEFPPQBQYBYTM-UHFFFAOYSA-N 308.313 2.098 10 10 DECE CCn1cc(C(=O)NCc2ccc(O)cc2O)c(C(C)C)n1 1639444538 OWDSXIZXCBYIHK-UHFFFAOYSA-N 303.362 2.368 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccccc1Cn1cccn1 1644754492 YVXDJJZFGHWSPT-UHFFFAOYSA-N 323.352 2.273 10 10 DECE O=C(O)C=Cc1ccc(N2CC3(COC3)C2)c(Br)c1 1911799864 UODFNMMUXAPCLE-UHFFFAOYSA-N 324.174 2.384 10 10 DECE C[C@H](NCc1ccnn1C)c1ccc(N2CCOCC2)c(F)c1 152184424 RXBJYKCGDAIQLB-ZDUSSCGKSA-N 318.396 2.247 10 10 DECE CC[C@@H](CO)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 1858590318 JNFASWKAVHQAHS-QVIVLVACSA-N 309.412 2.364 10 10 DECE COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(N)cc1 314076038 DGMJWHNFHAYILE-UHFFFAOYSA-N 301.302 2.367 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)C(=O)COc1ccc(N)cc1 1914618960 YVNXUYKKTRQACX-CQSZACIVSA-N 314.385 2.057 10 10 DECE CC(C)[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1920263974 MJCPUMKOLOECKE-PBHICJAKSA-N 324.421 2.304 10 10 DECE COCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928469256 GHYLFKAEWIGMMI-TZMCWYRMSA-N 310.394 2.322 10 10 DECE OC[C@@H](NCc1c(O)cccc1Br)C(F)(F)F 1942831872 PMSICUDZXDDHMU-SECBINFHSA-N 314.101 2.168 10 10 DECE N[C@@H](c1ccccc1O)[C@@H](O)c1ncc(Br)s1 1943690736 NUIHYPQAZBPBSW-VHSXEESVSA-N 315.192 2.345 10 10 DECE COc1cccc(O)c1[C@]1(NC(=O)OC(C)(C)C)CCNC1 1952209872 ZTCIOJZVMUSFKZ-INIZCTEOSA-N 308.378 2.114 10 10 DECE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)NCCN=[N+]=[N-])[C@H]21 1985093800 FSOGKEFCPGDQKY-WOPDTQHZSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@]1(C)[C@@H](N)c1ccccc1O 1993371696 IQDBVOOGFSHMBX-WMLDXEAASA-N 322.405 2.418 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)cc1Br 2033976518 DCSXEUHIJSBKBU-XSPYEYLBSA-N 311.223 2.286 10 10 DECE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 310125296 CYEQITPEPYBAAX-MOPGFXCFSA-N 321.424 2.297 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC=CC3)c(Br)cc21 311166319 NXSHYLJOBCYDFW-LBPRGKRZSA-N 308.179 2.038 10 10 DECE CN(C[C@H]1C[C@@H](O)C1)c1ccc(CO)c(Br)c1 703664717 AOPZGVJMXGSLHT-WVSHTKLVSA-N 300.196 2.149 10 10 DECE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)c1ccns1 717721304 FQUTXTHWBKTSSS-UHFFFAOYSA-N 311.432 2.325 10 10 DECE CN[C@H](C)c1ccc(N2CC(N(C)C)C2)c(Br)c1 394472941 YUXJMUZDXFBOPH-SNVBAGLBSA-N 312.255 2.480 10 10 DECE O=C(NCc1ccc2cccnc2c1O)OC[C@@H]1CCCO1 2059873358 OHYSRWLXSKTXIJ-ZDUSSCGKSA-N 302.330 2.346 10 10 DECE Cc1cc(N)c(Cl)cc1N1C(=O)[C@H]2CC(F)(F)[C@H]2C1=O 2174467206 HSPSWVOIWUFLGF-QUBYGPBYSA-N 300.692 2.375 10 10 DECE COc1ccc([C@H](C)n2nc(C3CC3)c(CN)c2N)c(O)c1 2080026273 VPPQLQUHXNTAMU-VIFPVBQESA-N 302.378 2.125 10 10 DECE Cc1cccc(CNCc2cnn(C)c2Br)c1O 2052977081 PRRZSBKWDUEGTC-UHFFFAOYSA-N 310.195 2.486 10 10 DECE NCc1cc(F)c(N2CC[C@@H]3[C@H](O)C[C@H]32)cc1Br 2057970372 FRYAJQDIJJJWFK-RLCGTCKNSA-N 315.186 2.006 10 10 DECE CN1CC[C@@H]2[C@H](CCN2c2ccc(CN)c(Br)c2)C1 2114499801 FVFKSXCJNPODJC-IUODEOHRSA-N 324.266 2.438 10 10 DECE C[C@H](CNS(=O)(=O)CCOc1ccc(N)cc1)C(C)(C)C 125084812 IZMVWVLYUCBPOX-GFCCVEGCSA-N 314.451 2.249 10 10 DECE COc1cc(O)c(CNC[C@@H](C)Cn2ccnc2)cc1OC 181164980 IUPHPEUEZNLNIO-GFCCVEGCSA-N 305.378 2.032 10 10 DECE Oc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)cc1O 37648350 OGDOZOKRNAEXLK-NSHDSACASA-N 304.312 2.072 10 10 DECE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(N)cc1 40337714 LUAJNNMMCNYMME-NSHDSACASA-N 306.387 2.356 10 10 DECE Cc1ccc(O)c(CN2CCC(C)(N3CCOCC3)CC2)c1 529665491 YZNZMUZHEUBPNR-UHFFFAOYSA-N 304.434 2.387 10 10 DECE CC[C@@H]1CN2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])ccc1O 245429948 NIMUBHMGWXBSOG-HIFRSBDPSA-N 305.378 2.359 10 10 DECE COC[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 265847172 URMRWCWWTZYFBW-BPJJOFIESA-N 320.345 2.254 10 10 DECE Cc1cc(C)nc(N2CCN(Cc3cc(F)ccc3O)CC2)n1 272911937 IAPMCCXWQWJOGN-UHFFFAOYSA-N 316.380 2.260 10 10 DECE C[C@@H]1C[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 277437474 SCRJLXWYKXWMBL-NXEZZACHSA-N 308.765 2.466 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2164681001 ZQTLEKQVOVDOJF-CIUDSAMLSA-N 312.317 2.289 10 10 DECE CC1(C)NCC[C@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2166372262 NUUGQGHYBRCMPA-VIFPVBQESA-N 318.826 2.175 10 10 DECE C[C@H](NC(=O)N1C[C@H](O)CC[C@H]1C)c1ccc(N(C)C)cc1 817166130 SJBYDJNBVBVPCE-DVOMOZLQSA-N 305.422 2.368 10 10 DECE C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)CCCN3C)C1 816910948 XISJXVKMWKSOMU-AWEZNQCLSA-N 301.434 2.027 10 10 DECE CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 827544968 PVTVXHYCKZOEBP-CQSZACIVSA-N 322.428 2.079 10 10 DECE Cc1cc(CN2CCOC[C@H](O)C2)ccc1N1CCCCC1 830638428 FFWIJOZCEFGXEG-QGZVFWFLSA-N 304.434 2.178 10 10 DECE CCOC(=O)c1ccccc1NC(=O)c1cc(O)c(O)c(O)c1 586737006 DSZDECCTKHZULG-UHFFFAOYSA-N 317.297 2.232 10 10 DECE CN(C)c1ccc(/C=C/CNCCS(=O)(=O)CC2CC2)cc1 835041862 FKTKPCBMPOCAFB-ONEGZZNKSA-N 322.474 2.180 10 10 DECE COC[C@]1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835055513 VKIVVQQVWZEFRT-SHCNBLLESA-N 304.434 2.097 10 10 DECE C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)CN1CCO 841891202 KIAJBGOJFSYESD-GHMZBOCLSA-N 316.804 2.072 10 10 DECE Cc1cc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 840914475 UJFMYBIUYYBGEL-CVEARBPZSA-N 324.852 2.385 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)C3CCC3)C2)cc1 855225823 MHVGILIUVSPWQG-YOEHRIQHSA-N 318.417 2.205 10 10 DECE C/C=C/CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 858885365 NDBAZSLIWGILQV-NSCUHMNNSA-N 303.406 2.023 10 10 DECE O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1CC1CC1 922338642 LTUFLGJOXOFXEO-MRXNPFEDSA-N 300.402 2.112 10 10 DECE Cc1nn(CC(=O)NCc2c(O)cccc2F)c(C)c1Cl 928711174 GFKOLBRXCQMYJM-UHFFFAOYSA-N 311.744 2.314 10 10 DECE COCCC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228154 WIVHSJAAEANBJB-GJZGRUSLSA-N 320.433 2.453 10 10 DECE COc1cc(Br)cc(CNC(C)(C)[C@H](C)O)c1O 762623413 AVHRVTLMNQIKFA-QMMMGPOBSA-N 318.211 2.412 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)C(=O)C12CC(C1)C2 862040033 YABHCINYTMIAPM-UHFFFAOYSA-N 303.358 2.084 10 10 DECE COc1cc(Br)cc(CNC(C)(C)[C@@H](C)O)c1O 762623410 AVHRVTLMNQIKFA-MRVPVSSYSA-N 318.211 2.412 10 10 DECE CN(C)c1ccc(CNC(=O)c2cc(-n3ccnc3)ccn2)cc1 771503193 VIDMFJKSWHIAIP-UHFFFAOYSA-N 321.384 2.263 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@]2(COC[C@@H](CN=[N+]=[N-])O2)C1 958691590 CCWLCOQSVRPBTE-RISCZKNCSA-N 312.370 2.482 10 10 DECE CCC[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 776433636 XOQHBPLKTHQBQJ-VIFPVBQESA-N 301.364 2.268 10 10 DECE COC(=O)c1c(CNC[C@@H](C)N(C)C)c2cc(F)ccc2n1C 894391459 IECKAZYTUIORDV-LLVKDONJSA-N 321.396 2.144 10 10 DECE COC(=O)c1cc(CNCc2cc(F)ccc2O)n(C)c1C 895647236 SXZJKOPWHQTPHB-UHFFFAOYSA-N 306.337 2.255 10 10 DECE CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1137486084 ORFCONSGIKLWJT-JTQLQIEISA-N 320.349 2.261 10 10 DECE C[C@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(F)cc1O 797072520 YAIFBXHAPSVUEZ-VHSXEESVSA-N 301.383 2.148 10 10 DECE COc1ccc(N2CCN(Cc3ccnc(C)n3)CC2)cc1F 796442062 MJKMYCPQMFYWSZ-UHFFFAOYSA-N 316.380 2.255 10 10 DECE CS(=O)(=O)CC1(CCNCc2ccc(Cl)cc2O)CC1 1474623997 HVAURAUOSYGSMD-UHFFFAOYSA-N 317.838 2.350 10 10 DECE NCc1ccc(N2CCS[C@@H](CO)C2)cc1C(F)(F)F 720070348 YHEDHFVFXUEMNN-LLVKDONJSA-N 306.353 2.078 10 10 DECE CN(Cc1cc(Cl)ccc1O)C1CCS(=O)(=O)CC1 93476517 VCAJCCCXTYARQD-UHFFFAOYSA-N 303.811 2.055 10 10 DECE CNc1ccc(C(=O)NCc2ccc3cccnc3c2O)cn1 1299725161 JBVOPAVGCRNEBV-UHFFFAOYSA-N 308.341 2.307 10 10 DECE COc1ccccc1[C@@H](O)C(=O)N(C)Cc1ccccc1O 1294678774 NMSRUFAGQQLKDZ-MRXNPFEDSA-N 301.342 2.093 10 10 DECE Cn1cc(/C=C\C(=O)N2CCOc3c2ccc(F)c3F)cn1 1460957621 TWSFEFLPCPRXOB-DJWKRKHSSA-N 305.284 2.137 10 10 DECE CC(C)C[C@@H](C(=O)NCc1cc(O)ccc1O)n1ccnc1 1471661985 JRKBPPCBBLWHTC-AWEZNQCLSA-N 303.362 2.198 10 10 DECE CCN(CCNCCCF)C(=O)c1ccc(N=NC(N)=O)cc1 1482970406 FXBQOPNQDATSIU-UHFFFAOYSA-N 323.372 2.260 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCc2cc(F)ccc2C1 1623306974 RWRXICODJTWJBP-UHFFFAOYSA-N 301.317 2.364 10 10 DECE C[C@@H](OCc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O 1630301508 CXLLGOGAYCUNDQ-LLVKDONJSA-N 319.332 2.458 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[C@H]3C[C@H]2CO3)cc1 1636304420 NNOGXZIUPZZCFD-DYEKYZERSA-N 316.361 2.394 10 10 DECE CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1566008132 PJXFDEDLTTUYLM-HFBAOOFYSA-N 304.390 2.149 10 10 DECE CC(=O)c1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1 1561947290 QJHWESNENGICIM-UHFFFAOYSA-N 323.345 2.212 10 10 DECE COc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@@H](C)OC)C2)cc1C 1661578098 XWUHBRFLBBHQPA-BMFZPTHFSA-N 320.433 2.165 10 10 DECE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC1CCC1 1662429143 DAIPCLZFJCFHOM-NSHDSACASA-N 317.393 2.357 10 10 DECE CC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)nc1 1670665669 HMGCOGIYFIJFDV-UHFFFAOYSA-N 315.329 2.060 10 10 DECE CC(C)OC(=O)CN1C(=O)/C(=C\c2ccccn2)SC1=S 5832651 CTQWEYZDRYYXIZ-YRNVUSSQSA-N 322.411 2.234 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]3C(F)(F)F)c(Cl)cc21 1916175982 ZSBRHFCJWAUQFR-NXEZZACHSA-N 305.687 2.433 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1cccc(O)c1O 1952591617 ZKJHFSZSSMTWLQ-DGCLKSJQSA-N 308.378 2.497 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985102047 BAKLGZYJPIRQRK-MVWJERBFSA-N 321.381 2.153 10 10 DECE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985101202 PBSRCAWXHLRVBF-NSHDSACASA-N 321.381 2.297 10 10 DECE COC[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1990496072 XUZBCFZNQKEEFG-OAHLLOKOSA-N 323.437 2.121 10 10 DECE C[C@@H](N)Cc1cnc(Sc2nnnn2C2CCCC2)s1 2155373926 VRYNCINMUXYJKS-MRVPVSSYSA-N 310.452 2.286 10 10 DECE Nc1ccc(N2C(=O)Cc3occc3C2=O)cc1Br 311513964 RYXQDAIOXXQTFM-UHFFFAOYSA-N 321.130 2.354 10 10 DECE CN(CC(C)(C)S(C)(=O)=O)c1ccc(CN)cc1Cl 713936905 BTHARCCJEDKWRO-UHFFFAOYSA-N 304.843 2.058 10 10 DECE O=S(=O)(C[C@@H]1C[C@H]1C(F)(F)F)Nc1ccc(O)cc1F 2164633371 JDXMSMXIRYXZKZ-POYBYMJQSA-N 313.272 2.471 10 10 DECE COC(=O)c1cnn(Cc2c(O)cccc2Br)c1 2069968614 SXUXZNFRTDGGFM-UHFFFAOYSA-N 311.135 2.186 10 10 DECE N=S1(=O)CC2(CN(c3ccc(OC(F)(F)F)cc3)C2)C1 2182733047 MUDUGYNLRBTYMI-UHFFFAOYSA-N 306.309 2.452 10 10 DECE C[C@]12CN(c3ccc(CO)cc3Br)C[C@@]1(CO)C2 2046804265 YAQPQIBBZULWBU-UONOGXRCSA-N 312.207 2.150 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CCC(=CBr)C3)ccc21 2052272971 ONXJTSIZSYKPDW-GFCCVEGCSA-N 308.179 2.127 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@H](O)c1cnc[nH]1 2088649771 QAMULLKFGIIKGU-NSHDSACASA-N 302.161 2.245 10 10 DECE COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1 2210897000 GYKRFUMGJPWZIS-UONOGXRCSA-N 322.405 2.160 10 10 DECE CCCN(c1ccc(CN)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 2201907928 LWLKZGZPVURCDE-ZDUSSCGKSA-N 316.854 2.202 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)NCCCCN=[N+]=[N-] 2243540487 CXQLOZGAGNXIOB-RWSFTLGLSA-N 323.397 2.496 10 10 DECE CCN(CC)CCCCNC(=O)C=Cc1ccc(O)c(O)c1 2308001270 RKMXUDZQBPWOJZ-UHFFFAOYSA-N 306.406 2.349 10 10 DECE Cc1ccc(CN=c2nc(C)c(N)c[nH]2)c(O)c1Br 2352623496 BDUFPFCBYULKDH-UHFFFAOYSA-N 323.194 2.178 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N3CCO[C@@H](C)C3)c(Cl)cc21 221189025 QDFIXBDAPLUXHI-LKFCYVNXSA-N 309.797 2.168 10 10 DECE C[C@H](CNCc1ccc(O)cc1O)CNC(=O)OC(C)(C)C 700490280 ZNKTVCYJGLWEBV-LLVKDONJSA-N 310.394 2.348 10 10 DECE CC(=O)C(=O)COC(=O)c1cc2c(C(C)C)nn(C)c2s1 808522075 MQCURNGBWSURAH-UHFFFAOYSA-N 308.359 2.073 10 10 DECE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc2c1OCCO2 814269836 JQWDDBAUTVSRPI-YRNVUSSQSA-N 323.395 2.297 10 10 DECE CCOc1ccc(O)c(CN2CCO[C@]3(CCSC3)C2)c1 843418104 QJIJUVHJFSISEF-MRXNPFEDSA-N 309.431 2.499 10 10 DECE Cc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)o1 841051557 XIPCNIYFOYIGIH-NSHDSACASA-N 315.373 2.246 10 10 DECE C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc([N+](=O)[O-])ccc1O 850498895 FKLUIKZZAMEEIO-HOTUBEGUSA-N 303.322 2.249 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)C3)C2)cc1 852190874 RCBAUMOJVGRCOK-MOKVOYLWSA-N 303.406 2.372 10 10 DECE CN(Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@@H]2O 768440075 CVKKTBIURSPSIT-AWEZNQCLSA-N 320.776 2.498 10 10 DECE CON(C(=O)c1cc(O)cs1)[C@@H](C)C(=O)OC(C)(C)C 871246019 JQMYMEBNOJAGBW-QMMMGPOBSA-N 301.364 2.188 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]12CCOC2 1119491291 CZOVZAKQVISJME-HNNXBMFYSA-N 305.355 2.318 10 10 DECE COc1cccc(CNC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1O 886334113 RAYDQUKNFILJTC-RVSPLBMKSA-N 307.390 2.217 10 10 DECE C[C@H](NC(=O)c1ncc(Br)cn1)c1ccccc1O 1587451019 FEHGCFWCFBMXCG-QMMMGPOBSA-N 322.162 2.436 10 10 DECE COc1ccc(Br)c(CN[C@@H](C)CCO)c1O 1964046154 OVUNABXYEZEHEA-QMMMGPOBSA-N 304.184 2.024 10 10 DECE CC[C@H](CNC(=O)C(F)F)NCc1ccc(OC)c(C)c1 1269361074 PNMOYROGZKAUQH-GFCCVEGCSA-N 300.349 2.253 10 10 DECE O=C(N1Cc2cccc(O)c2C1)[C@]1([C@H]2CCCCO2)CCCO1 1347888881 HHOKAJJXXSZZTR-SJLPKXTDSA-N 317.385 2.353 10 10 DECE O=C(CCC(=O)c1cccs1)NCc1ccc(O)cc1O 1451736689 KBPLHIMMAZZANL-UHFFFAOYSA-N 305.355 2.439 10 10 DECE CCCCNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1483200358 SQMCYEJUAIAREI-LLVKDONJSA-N 305.382 2.357 10 10 DECE Cc1cc(C(F)F)n(CC(=O)NCc2c(O)cccc2F)n1 1638866589 FQTNNJBTGUOLQT-UHFFFAOYSA-N 313.279 2.290 10 10 DECE COCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ccc(OC)c(C)c1 1732602113 CGEZYTQUMCAHNA-HZPDHXFCSA-N 320.433 2.025 10 10 DECE Cc1nn2cccnc2c1C(=O)NCc1cc(Cl)ccc1O 1644590736 MTFVNKUOXADSOX-UHFFFAOYSA-N 316.748 2.327 10 10 DECE COc1ccc(Br)c(CN[C@H](C)[C@@H](C)CO)c1O 1964567445 VUMZZAFAKQWPLE-DTWKUNHWSA-N 318.211 2.270 10 10 DECE Cc1cc(OCCOC(F)(F)F)ccc1N1CCNCC1 161692604 NZLJOWTZHKRQKK-UHFFFAOYSA-N 304.312 2.320 10 10 DECE CCN[C@@H](C)c1ccc2c(c1)CCN2CCCS(C)(=O)=O 162164125 KGUVEIXSSMHVPV-ZDUSSCGKSA-N 310.463 2.154 10 10 DECE CCCC1=NN(C)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 1865678098 TXKJHENBMVVRQL-YRNVUSSQSA-N 304.346 2.421 10 10 DECE Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1-n1cnnn1 1874061788 ZGJNLVXRTFSPSM-UHFFFAOYSA-N 322.372 2.289 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)c2sccc2Br)C1 1912182532 CPWXDQJDUKAFML-UHFFFAOYSA-N 323.197 2.194 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1900613014 RGZWFZHHGQEYLU-GHMZBOCLSA-N 323.397 2.258 10 10 DECE 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10 10 DECE COc1ccc(N2CCN(Cc3ncc(C)cn3)CC2)cc1F 760845039 TZCCEUUUSMYQAF-UHFFFAOYSA-N 316.380 2.255 10 10 DECE CC1(O)CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 877075337 MCGYWCXCVSMOFZ-UHFFFAOYSA-N 318.461 2.431 10 10 DECE COC(=O)/C(C)=C\CN[C@H](C)c1ccc(N2CCOCC2)cc1 775255931 SBDZTOXRYCKAKQ-CKNOQMABSA-N 318.417 2.293 10 10 DECE CN(C)C[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896113141 ZWXYYQYFMUYNHJ-LLVKDONJSA-N 320.414 2.479 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(Cl)cn2)c1 1137473544 MUJQWBKSZHTPJT-MRVPVSSYSA-N 307.737 2.335 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)c1cc2n(n1)CCCC2 898394803 JWQXASVADREFHG-SNVBAGLBSA-N 301.346 2.122 10 10 DECE C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCCN=[N+]=[N-] 1882298709 WILPUHAKVGDOSR-LBPRGKRZSA-N 319.365 2.460 10 10 DECE C[C@H]1CN(c2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F 1959568596 RWIDVQZOSLLTKB-JOYOIKCWSA-N 301.312 2.162 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1C1CCCC1 1153884294 BHHOSJJFBPRSAN-HNNXBMFYSA-N 304.390 2.121 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1COCCN(CCCCN=[N+]=[N-])C1 1962287853 NXZIADUWOMACRQ-LBPRGKRZSA-N 313.402 2.302 10 10 DECE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1888178122 XVRPPANHHBYRHY-IUCAKERBSA-N 303.338 2.006 10 10 DECE CO[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1OC 707155179 NSGMVINXOUCRMM-STQMWFEESA-N 316.195 2.000 10 10 DECE CC1(C)CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1 1334373263 CFNWMTHSZVLGMO-UHFFFAOYSA-N 301.434 2.387 10 10 DECE CC(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(O)n1 1445938089 NDPXVDNWESCAPR-UHFFFAOYSA-N 316.357 2.294 10 10 DECE CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(N=NC(N)=O)cc1 1467955629 RZVRMPUTRFFLIG-SNVBAGLBSA-N 320.349 2.263 10 10 DECE COc1nc(OCCc2ccc(N)cc2)ncc1Br 2119801571 SEDHQELIYDUPQR-UHFFFAOYSA-N 324.178 2.451 10 10 DECE Nc1ccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1 1616186819 YIOCTTONGAIOQA-DLBZAZTESA-N 324.380 2.138 10 10 DECE CSc1cc(CNC(=O)Cc2ccc(O)c(O)c2)ccn1 1546219359 HIOHEBMFEWUATO-UHFFFAOYSA-N 304.371 2.074 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 1557107044 GALXRPMEEJLADE-JTQLQIEISA-N 311.341 2.394 10 10 DECE COC(=O)c1oc(CNC(=O)c2ccc(C)c(O)c2O)cc1C 1643235229 LBXXSMDBXTYJBX-UHFFFAOYSA-N 319.313 2.024 10 10 DECE C[C@H]1C[C@@H]2CN(c3ccc(CN)cc3Br)CCN2C1 2124850507 IOLGTJIALIFESK-WCQYABFASA-N 324.266 2.438 10 10 DECE COCCCOCC(=O)NCc1c(O)ccc2ccccc12 1652708367 BZVGQIYMZIJTNH-UHFFFAOYSA-N 303.358 2.215 10 10 DECE C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2155554080 VURBDSDCLBORGM-RYUDHWBXSA-N 301.416 2.128 10 10 DECE Oc1cccc(Br)c1CN1CC=CCC12CNC2 2032581299 GRKKHGYNRNGDHF-UHFFFAOYSA-N 309.207 2.259 10 10 DECE C[C@@H]1CN(c2ccc(CO)cc2C(F)(F)F)CC[S@]1=O 2171958498 AWAMUJWKQXWMJZ-GSDQLPOLSA-N 307.337 2.155 10 10 DECE Oc1c(F)cc(Br)cc1CNC[C@H]1[C@@H]2COC[C@H]12 715819705 ZHHUCEYZPDQRAG-RTCCRHLQSA-N 316.170 2.276 10 10 DECE COc1cccc(Cn2ncc(C(=O)OC(C)(C)C)c2O)c1O 2070488645 BMTDZENGVOGSQO-UHFFFAOYSA-N 320.345 2.307 10 10 DECE O=C1Nc2cc(N3CC[C@@H]3C3CC3)c(Br)cc2[C@@H]1O 2088662455 PBSKPAFUCNPCJD-YPMHNXCESA-N 323.190 2.423 10 10 DECE Oc1ccc(CCNc2nc(Cl)nnc2Cl)cc1O 2091757814 BDMOSOCLCQQPQG-UHFFFAOYSA-N 301.133 2.244 10 10 DECE CSc1ncc(CNC(=O)c2cnc(Cl)nc2)s1 2257131440 ABOZOTWDTXMWBS-UHFFFAOYSA-N 300.796 2.238 10 10 DECE Cc1ccc(CNCc2cn(C)cn2)c(O)c1Br 2327619596 VUYOTUWSQRDXNJ-UHFFFAOYSA-N 310.195 2.486 10 10 DECE C[C@@H]1CCN(c2ccc(CN)c(Br)c2F)[C@H]1CO 300428000 OSEAQHLYZVPLAH-KCJUWKMLSA-N 317.202 2.254 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCC[C@@H]1O 304296902 HPBPEPBAVTXTCE-OCCSQVGLSA-N 313.357 2.141 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCN(c2ccccc2)CC1 62460314 BEKLSHVGTHPPGQ-HNNXBMFYSA-N 324.428 2.418 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccc(Br)s1 90260236 KQQSIIGZZWDFLV-MRVPVSSYSA-N 318.200 2.327 10 10 DECE Oc1ccccc1CN(C[C@H]1CCCO1)C[C@@H](O)C(F)(F)F 248397001 QZOJJBCGIONITE-TZMCWYRMSA-N 319.323 2.296 10 10 DECE CCOCc1nc([C@H](C)NCc2cc(OC)ccc2O)no1 290922755 NZCQOURCXCHLKF-JTQLQIEISA-N 307.350 2.171 10 10 DECE C[C@H](C[S@](C)=O)N(C)c1ccc(CN)cc1C(F)(F)F 398908943 UWVTXIBWKMSTTK-YBYGRFCBSA-N 308.369 2.367 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CC34CC4)C2)cc1 823732553 GPPCBVMXVZTLEG-BBRMVZONSA-N 315.417 2.373 10 10 DECE CCOC[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588404542 IYTRCCWYZPVUBV-IQCBXXCUSA-N 305.374 2.386 10 10 DECE CCN1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@H](C)C1 844209989 MYHQCZINFGNDGT-SMYYYNMVSA-N 319.361 2.223 10 10 DECE CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)N3)ccc21 846672723 JNVLBLNSAWCSCX-IRXDYDNUSA-N 313.445 2.216 10 10 DECE OC(CNCc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 850386477 LDPCJQMXLSRHAE-UHFFFAOYSA-N 316.445 2.164 10 10 DECE CC(C)(C)N1CC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 855161624 AKYHAVPMBZYBFI-VUDGCMKMSA-N 304.390 2.100 10 10 DECE COc1ccc(N2CCC(NCC34CC(CN3)C4)CC2)cc1 853246224 IKNXLHIJRZRUAN-UHFFFAOYSA-N 301.434 2.006 10 10 DECE C[C@H](CN(Cc1ccc(N(C)C)cc1)C1CC1)CS(C)(=O)=O 758141533 GKPJRAHUXMAFDM-CQSZACIVSA-N 324.490 2.398 10 10 DECE Cc1cc(C)n(CCC(=O)NCc2ccc3cccnc3c2O)n1 862029110 QUAJUTUBLUXMER-UHFFFAOYSA-N 324.384 2.460 10 10 DECE Oc1ccc(Br)cc1CN1C[C@H](O)CC(F)(F)C1 787438335 OARHMIHIEZZHPN-SNVBAGLBSA-N 322.149 2.357 10 10 DECE COC(=O)[C@H]1[C@H](CNCc2cc(Cl)ccc2O)C1(F)F 895140297 PNYZAVBJEAJARG-GXSJLCMTSA-N 305.708 2.190 10 10 DECE c1cc2c(cc1CN[C@@H]1CCOC13CCOCC3)CCCO2 898112122 KMNQSTNVMIKNIN-QGZVFWFLSA-N 303.402 2.439 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCCN=[N+]=[N-] 1895875584 KXCXDWLYLBHFBQ-SDDRHHMPSA-N 323.397 2.449 10 10 DECE CCOc1cccc(CC(=O)NCc2cccc(OC)c2O)n1 797943718 URKKTFYRQBWDDZ-UHFFFAOYSA-N 316.357 2.053 10 10 DECE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1882298169 ODDVXXJEALQDJD-YPMHNXCESA-N 317.349 2.213 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)C1=C[S@@](=O)CCC1 1141537778 AZCMBIVZINCAFJ-QFIPXVFZSA-N 318.442 2.329 10 10 DECE Nc1nc(C2CC2)ncc1C(=O)NCc1cccc(Cl)c1O 1305085406 YAPGHJAVWNFYDA-UHFFFAOYSA-N 318.764 2.225 10 10 DECE CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(O)c(O)c1 1962353371 NTPMJBGWPDRCHN-UHFFFAOYSA-N 308.334 2.096 10 10 DECE NC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 1165498148 LKELCHMUVINVCP-UHFFFAOYSA-N 304.733 2.075 10 10 DECE CC(=O)NCCNCc1cc(Cl)cc(Br)c1O 708091924 YLPMIKAWZFOPDD-UHFFFAOYSA-N 321.602 2.034 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC2(F)F)cc1C 1321512435 XRTXEQUNJJEEPM-YPMHNXCESA-N 312.360 2.253 10 10 DECE O=C(c1cc(O)cs1)N1CCCC[C@H]1CCn1ccnn1 1348546423 MYCHGQJYHJIWKY-NSHDSACASA-N 306.391 2.130 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1[C@@H]1CCCOC1 1348811104 TVQFTYAXELBZTF-IOKDEZFASA-N 303.358 2.139 10 10 DECE COc1ccc(O)c(CNC(=O)NC[C@@H](C)CC(F)F)c1 1261452928 QAWWHNPGZXERQW-VIFPVBQESA-N 302.321 2.491 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H]2Cc3cccnc3C2)cc1F 1345766775 YRCNWFCBLQFURW-AWEZNQCLSA-N 313.376 2.318 10 10 DECE COc1ccc(CNC(=O)c2ccc(OC(F)F)nc2)c(O)c1 1296968062 IIPJKODBKAVPMT-UHFFFAOYSA-N 324.283 2.327 10 10 DECE CCOCCOCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1523553126 GBFTWVYOLPWMGU-UHFFFAOYSA-N 320.433 2.298 10 10 DECE Cc1cccc(COCC(=O)NCc2cc(O)ccc2O)c1 1471661995 KBXSPJDVNONGRH-UHFFFAOYSA-N 301.342 2.239 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1COC[C@H]1c1ccccc1 1471662009 KKVNYCRMVGGUEK-JKSUJKDBSA-N 313.353 2.144 10 10 DECE CC(=O)Nc1cccc(OC(=O)Cc2ccc(O)c(O)c2)c1 1624551968 MUOILMDILIXLJZ-UHFFFAOYSA-N 301.298 2.204 10 10 DECE CCN1CC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 1638694084 PKYBSJFGYICJMI-KRWDZBQOSA-N 301.434 2.387 10 10 DECE NC(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl 1588251279 WTKDTZCRPUGPRP-UHFFFAOYSA-N 306.705 2.102 10 10 DECE CO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)C[C@@H]1O 2130816020 CTYNEWDBGIRDLV-ADEWGFFLSA-N 306.189 2.327 10 10 DECE Cn1nc(C(=O)N2CCC(N=[N+]=[N-])CC2)cc1Br 1912144131 OQXRPXCCJQKZGY-UHFFFAOYSA-N 313.159 2.098 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1cccc(O)c1O 1952219941 OIVZAXPTAYGTTL-LBPRGKRZSA-N 308.378 2.369 10 10 DECE CCOC(=O)[C@@H]1CCN[C@@H]1c1cccc(Br)c1O 1952859472 AHXGTSLFHJUSIG-MWLCHTKSSA-N 314.179 2.368 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@]12CC[C@@H]2NC(=O)OC(C)(C)C 1985102976 OKELUJXKRXVDHP-ZIBATOQPSA-N 323.397 2.449 10 10 DECE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(N)cc1 1992522441 UEHHETHRFBFYAV-LSDHHAIUSA-N 321.421 2.197 10 10 DECE CC(C)CNCc1cnc(SC[C@H]2CN(C)CCO2)s1 2155328111 GOISBWNIZBFOLR-GFCCVEGCSA-N 315.508 2.311 10 10 DECE CNCc1ccc(N2C[C@H]3C[C@H]2C[C@@H]3O)cc1Br 2052055847 KAAODCPVHWZPLU-OSMZGAPFSA-N 311.223 2.128 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2056994539 OGBSGZLPULZYBN-PEXQALLHSA-N 318.186 2.269 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@H]1C[C@H]1C(F)(F)F 2234167319 VLKFGKRVYJEGEL-BGZDPUMWSA-N 312.317 2.336 10 10 DECE OCc1ccc(N2C[C@@]3(CO)CC[C@H]2C3)c(Br)c1 2314899889 JZTGAHZPRUJVOY-SMDDNHRTSA-N 312.207 2.293 10 10 DECE COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3C)CC2)cc1 75980034 CUEMJLHXTDJRBZ-MLGOLLRUSA-N 303.406 2.372 10 10 DECE CCN1CCC2(CC1)CN(CCCO)c1ccc(OC)cc1N2 75281018 HCEDTFVWHQEVMH-UHFFFAOYSA-N 319.449 2.164 10 10 DECE COc1ccc(O)c(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c1 89726280 VFTWHAVYZKSGSQ-CQSZACIVSA-N 300.358 2.256 10 10 DECE COc1cccc(CN2CC(C)(C)O[C@]3(CCOC3)C2)c1O 280118375 BLAVRWBSWSAAOA-QGZVFWFLSA-N 307.390 2.171 10 10 DECE COCc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)no1 297603027 KCIWZYWJVLCGLC-UHFFFAOYSA-N 322.361 2.483 10 10 DECE CC(=O)C(=O)COC(=O)c1c(F)ccc(Br)c1F 808542643 GXWRFQBFNFPGFS-UHFFFAOYSA-N 321.073 2.042 10 10 DECE O=C(CCc1ncc[nH]1)NCc1cc(Br)ccc1O 804738945 KFIHHKFXCGQGDW-UHFFFAOYSA-N 324.178 2.127 10 10 DECE COc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 811837247 MYSIBBIQEIXQGX-UHFFFAOYSA-N 318.352 2.073 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)Cn2ccnc2)cc1 746105254 RXIGDFADVSOYMQ-UHFFFAOYSA-N 300.406 2.388 10 10 DECE O=C(NCc1ccccc1O)c1csc(-c2ncccn2)n1 748344782 CBFOMQLCUSTVEL-UHFFFAOYSA-N 312.354 2.236 10 10 DECE Cc1cc(O)c(CNc2ccn(CCC(N)=O)n2)c(Cl)c1 840909757 VMNXTUUVKJJIFX-UHFFFAOYSA-N 308.769 2.038 10 10 DECE COC(=O)C[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 840918546 VSEVYVJHKNVELD-LLVKDONJSA-N 313.781 2.118 10 10 DECE COc1ccc(N2CC[C@H](NC3[C@H]4CC[C@H]3CN(C)C4)C2)cc1 926680811 RWZLVEOLEQOCPE-JYJNAYRXSA-N 315.461 2.204 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CCCCO3)C2)cc1 855227241 WQQYSXHQWXSHNU-KDOFPFPSSA-N 318.417 2.349 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C=CCC3)C2)cc1 852450610 QEHLOIZPTFPEPL-KBPBESRZSA-N 301.390 2.292 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCOC[C@@H]3C)C2)cc1 855226928 UUOOXZUGAAWQEG-ZQIUZPCESA-N 318.417 2.063 10 10 DECE COC(=O)C1(C(=O)NCc2cc(C)ccc2O)CC2(CCC2)C1 862754083 QHWCIBKFDCDRKT-UHFFFAOYSA-N 317.385 2.440 10 10 DECE COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn[nH]3)ccc21 789928963 QWUFIZKSLKIXFA-UHFFFAOYSA-N 313.361 2.275 10 10 DECE COC(=O)[C@@H](NCc1cccc(C)c1O)c1cccc(O)c1 792178849 DMWAJVYVZFEDMT-HNNXBMFYSA-N 301.342 2.410 10 10 DECE COc1cccc(CNC(=O)c2cc(F)c(C=O)cc2F)c1O 1137473862 ZCOIWSBDFVWVTM-UHFFFAOYSA-N 321.279 2.422 10 10 DECE O=C(O)[C@@H]1CCCN1Cc1c(O)cccc1Br 706622533 UMABSSPOQVLNRD-JTQLQIEISA-N 300.152 2.204 10 10 DECE CC1(C)CCN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2 706781435 RBTTZJVFSFDUGS-LLVKDONJSA-N 310.195 2.390 10 10 DECE CCN(c1ccc(CO)cc1Br)[C@H]1CCN(C)C1 693448003 WFWHUWKCECTMAP-LBPRGKRZSA-N 313.239 2.472 10 10 DECE C/C(=C/C(=O)N1CCCn2nc(C)c(Cl)c21)c1cnccn1 1337518772 HKVMZRRPSGHKBY-NTMALXAHSA-N 317.780 2.475 10 10 DECE C[C@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)c1nccs1 1466321930 RPIMAZBWHOTRTN-SNVBAGLBSA-N 306.387 2.359 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)Cc2ccco2)cc1C 1480558394 AWIJKODFQFCXBL-CQSZACIVSA-N 316.401 2.434 10 10 DECE C[C@H](O)c1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 1540417217 CMADBOGYESXGBS-JTQLQIEISA-N 305.403 2.192 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1ccnc2ccnn12 1629960059 YYPFJMCRDRJEJQ-UHFFFAOYSA-N 310.357 2.487 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1C[C@H](n2ccnn2)C1 2127673287 HENCEHVBVUHFRR-HAQNSBGRSA-N 323.194 2.240 10 10 DECE OCc1ccc(N2CC[C@@H](O)C23CCC3)cc1Br 1914379328 FEXUULINHXGGGD-CYBMUJFWSA-N 312.207 2.435 10 10 DECE CC(C)(C)OC(=O)NC[C@](O)(C1CC1)[C@H](N)c1ccccc1O 1920302749 IKXBQEWUPQMRFC-PBHICJAKSA-N 322.405 2.058 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(C)(C)O 1951421945 HJGUVWWVVDCSQW-CYBMUJFWSA-N 311.378 2.305 10 10 DECE CC[C@H](CNC(=O)OC(C)(C)C)Nc1c(N)cccc1C(N)=O 1978885202 NNJDXSGEDGVQJD-SNVBAGLBSA-N 322.409 2.083 10 10 DECE COc1ccc(CN[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1984414091 CPKBGNSCXKHXEQ-GXTWGEPZSA-N 322.405 2.404 10 10 DECE Nc1ccc(CNC[C@H]2COCCN2Cc2ccccc2)cc1 1990431906 QJKITFXISDFGKK-IBGZPJMESA-N 311.429 2.259 10 10 DECE C[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCS(=O)(=O)C1 36945117 ONJFWSVYWFPUCO-LBPRGKRZSA-N 324.229 2.366 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](O)C2(C)C)c(Br)c1 2023142186 MICIRONYCTXQBH-QPUJVOFHSA-N 300.196 2.462 10 10 DECE CNCc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)c(Cl)c1 2160768902 XIBXTRWVYLWMDE-NSHDSACASA-N 318.870 2.319 10 10 DECE [N-]=[N+]=NCCNC(=O)c1cccc([N+](=O)[O-])c1Br 701332892 NMRDZJVAIZWZOQ-UHFFFAOYSA-N 314.099 2.397 10 10 DECE C[C@@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CC[S@]1=O 2171969122 NQZMQLOHFNXPLW-GSDQLPOLSA-N 306.353 2.121 10 10 DECE CCn1cc(C(=O)NCc2ccc(N)cc2)nc1Br 710761410 RYDIYYIWTXGYGU-UHFFFAOYSA-N 323.194 2.178 10 10 DECE CC(C)S(=O)(=O)CCN(C)c1ccc([C@H](C)N)cc1F 2170455466 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N=[N+]=CC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 575409204 LSZKKEDYWYXQHC-UHFFFAOYSA-O 322.344 2.404 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1F 824668962 AJFJJIWZVZQIBB-LBPRGKRZSA-N 316.380 2.036 10 10 DECE O=C(NCc1cc(Br)ccc1O)NC(CF)CF 836529913 PAXXRNKTIBHGOP-UHFFFAOYSA-N 323.137 2.262 10 10 DECE N[C@@H](CC(F)F)CN(Cc1ccccc1O)C[C@@H]1CCCO1 903905478 GTZGMJAIATUQMA-KBPBESRZSA-N 314.376 2.356 10 10 DECE COC(=O)C[C@H]1COCCN1C/C=C\c1ccc(N(C)C)cc1 835053625 ONGGLPGNOZCIHG-CHYADLBTSA-N 318.417 2.030 10 10 DECE Cc1cnc(CCCC(=O)OCC(=O)c2ccc(O)c(O)c2)o1 838225369 CCYLAIWCZHLLMC-UHFFFAOYSA-N 319.313 2.143 10 10 DECE CCN(C)c1ccc(CN2C[C@H](OC)C[C@H]2CC(=O)O)cc1 846286536 WCDWKNAJKRNZNT-JKSUJKDBSA-N 306.406 2.207 10 10 DECE COc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)c(O)c1 926697657 YFRYFAKGMXTQQN-GXSJLCMTSA-N 318.295 2.398 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NCC3CCC3)C2)cc1 851956938 HPPIPLVSYXGHJI-CQSZACIVSA-N 303.406 2.373 10 10 DECE COC(=O)CCCCCNC(=O)NCc1cc(C)ccc1O 858123006 VQIIXVCEHCSMDS-UHFFFAOYSA-N 308.378 2.233 10 10 DECE C[C@H](N[C@H](C)[C@@H]1[C@H]2CN[C@H]1C2)c1ccc(N2CCOCC2)cc1 925482691 SQGQGPBKMSTDPD-UQOYYSHTSA-N 315.461 2.170 10 10 DECE C[C@@H]1COCC[C@@H]1NC(=O)NCCCSc1nccs1 764466948 XYYFOIAVMVXJTJ-MNOVXSKESA-N 315.464 2.350 10 10 DECE CC(C)(C)N1CC[C@@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 871205748 XQOCTJDQMUSEAG-KRWDZBQOSA-N 306.381 2.447 10 10 DECE CN1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 895834887 TZFKZDSOJGIAFG-JTQLQIEISA-N 306.387 2.137 10 10 DECE C[C@@H](CN(C)Cc1cc(N)ccc1O)NC(=O)OC(C)(C)C 1959549945 SZLBVPLVKRWFTD-NSHDSACASA-N 309.410 2.319 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@H](CO)c1ccc(Cl)cc1 1153886127 XGZBAAUFWCQYTA-CQSZACIVSA-N 321.760 2.144 10 10 DECE O=C1CC[C@@H](C(=O)NCc2cc(O)ccc2O)c2ccccc21 1176754439 CTPQQXNDQAYKNQ-OAHLLOKOSA-N 311.337 2.474 10 10 DECE Oc1ccc(CNC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1O 398448937 MWHOMOANPVDZRN-HOTGVXAUSA-N 310.397 2.318 10 10 DECE CC[C@H](C(=O)O)N(C)Cc1c(O)cccc1Br 706621693 KFODXFCJBVCDCR-SNVBAGLBSA-N 302.168 2.450 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ccc(CO)cc1 1627069752 RKJWYOUPERGLFZ-UHFFFAOYSA-N 308.337 2.363 10 10 DECE CCN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCOC3)c(Cl)cc21 159750213 NPQLNPQKMUGPFM-OTYXRUKQSA-N 309.797 2.168 10 10 DECE Cc1nnnn1-c1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1874060818 MDLFJTJHHLBQSV-UHFFFAOYSA-N 322.372 2.289 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1912201100 PLLBBKLOAVJYOB-UHFFFAOYSA-N 302.306 2.428 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Sc2nccs2)C1 1928632198 XVCHNIPBEDMUQM-RKDXNWHRSA-N 302.421 2.215 10 10 DECE CC(C)(C)OC(=O)N1CCCN[C@H](c2ccc(O)cc2O)C1 1952060862 GPOUCSGBFJNCMJ-ZDUSSCGKSA-N 308.378 2.369 10 10 DECE COC(=O)[C@H]1CCN[C@@H](c2cc(Br)ccc2O)C1 1952457971 HVVVOQNTHOBZCI-GZMMTYOYSA-N 314.179 2.368 10 10 DECE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O 1977887519 DWOFIIKHYOXYPP-RISCZKNCSA-N 321.421 2.462 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1(C(=O)N1CC(N=[N+]=[N-])C1)C2 1992393873 XTLRTYXXAQZVQD-BONVTDFDSA-N 321.381 2.297 10 10 DECE Cc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sc1CO 2157759145 FMPVPOUDHOYHRR-UHFFFAOYSA-N 317.363 2.194 10 10 DECE CCN[C@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2152238417 COKHJZNEIHWJSE-SNVBAGLBSA-N 316.854 2.244 10 10 DECE CCS(=O)(=O)C1(CN[C@@H](C)c2cc(F)ccc2O)CC1 703583861 OMUNCFHEMIUMPZ-JTQLQIEISA-N 301.383 2.149 10 10 DECE O=C(O)C1CCN(Cc2c(O)cccc2Br)CC1 706625702 FLMBPIPGMVTGFF-UHFFFAOYSA-N 314.179 2.451 10 10 DECE C[C@H](NC[C@H]1C[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1O 2192325438 DAIWSYUUJDASMD-JBLDHEPKSA-N 301.383 2.005 10 10 DECE COC[C@@](C)(CN(C)c1cc(Cl)c(CN)cc1F)OC 2198141884 SWODKRBUNZHDOV-CQSZACIVSA-N 304.793 2.426 10 10 DECE O=C(NC(C(F)(F)F)C(F)(F)F)c1ccc(O)c(O)c1 2183914467 KKASDIBYNYEAQZ-UHFFFAOYSA-N 303.158 2.321 10 10 DECE CN(C)c1ccc([C@H](O)c2cn(C)nc2Br)cc1 2044712315 AQURGCJGSNYLOS-LBPRGKRZSA-N 310.195 2.330 10 10 DECE C[C@H](O)c1ccc(N2CC([C@H](F)CO)C2)cc1Br 2048029548 KPMSYLVQPKZDFI-ISVAXAHUSA-N 318.186 2.269 10 10 DECE Cn1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c(Br)n1 2052975300 FUMJKFQJMGSTJU-SSDOTTSWSA-N 313.159 2.098 10 10 DECE NC[C@]12CC[C@H]1CN(Cc1ccc(Br)cc1O)C2 2081577643 AQHOOFARHDIBQA-FZMZJTMJSA-N 311.223 2.325 10 10 DECE CSc1ncc(CN=c2[nH]c(C)c(CC(=O)O)s2)s1 2269097001 ZNQYCZDIEXGTMD-UHFFFAOYSA-N 315.445 2.291 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccnc2)nc1 2307987555 SINHTNYLJFLPLC-UHFFFAOYSA-N 322.324 2.330 10 10 DECE COc1ccc(S(=O)(=O)N(C)Cc2ccc(N)cc2)cc1 35360273 XDTPFNYBGYRACE-UHFFFAOYSA-N 306.387 2.098 10 10 DECE CC[C@@H](NCCC(N)=O)c1cc(Br)ccc1O 36746976 PJBODSNDAKXVML-SNVBAGLBSA-N 301.184 2.071 10 10 DECE COc1ccc(CC(=O)c2cc(O)c(O)cc2O)cc1OC 197459503 XENYBVPCIRWTMR-UHFFFAOYSA-N 304.298 2.246 10 10 DECE COc1ccc(N2CCN(C(=O)c3cc(C)ccn3)CC2)cc1 82320264 RQEVQJSIYSALSB-UHFFFAOYSA-N 311.385 2.361 10 10 DECE CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 190149784 AJIVHYKBGLEJGW-UONOGXRCSA-N 303.362 2.354 10 10 DECE CC[C@@H](C(=O)O)N(C)Cc1cc(Br)ccc1O 234057039 RJEHUFCERHCQQE-JTQLQIEISA-N 302.168 2.450 10 10 DECE CCOc1cccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O 92105138 HIOBEBJZVLCDAS-HUUCEWRRSA-N 318.417 2.282 10 10 DECE Cc1ccnc(C2CCN(C(=O)c3cccc(O)c3O)CC2)n1 369126242 KRLXCLRCPSBLPE-UHFFFAOYSA-N 313.357 2.216 10 10 DECE CC(=O)C(=O)COc1c(F)cc(Br)cc1C(C)=O 808031331 LDCLOZIPPKJBDE-UHFFFAOYSA-N 317.110 2.328 10 10 DECE Cc1cc(O)c(CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1Cl 826130014 CUUUPMIRCXZCKK-STQMWFEESA-N 312.841 2.241 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H](C[C@@H]2CCCO2)C(=O)O)cc1 904029110 BQSOBQJJILYWRO-KCCJJVRFSA-N 318.417 2.378 10 10 DECE CC(C)C[C@H](CCO)CNC(=O)/C=C\c1ccc(O)c(O)c1 588407474 UPVDVPUKGIJWND-SDQPKGBYSA-N 307.390 2.272 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)CC1(O)CCOCC1 908045119 KLLMEFLODCSEGQ-UHFFFAOYSA-N 321.417 2.453 10 10 DECE CC(C)OC(=O)N1CCC(NC(=O)Nc2ccc(N)cc2)CC1 841300194 MMIYZVZWXSUTIP-UHFFFAOYSA-N 320.393 2.400 10 10 DECE C[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1(C)C 846257178 ALBQEWRMVBJPDT-JTQLQIEISA-N 318.377 2.001 10 10 DECE COC(=O)[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 846060409 NDXOMONHQXBWBN-DEUPEYTOSA-N 318.417 2.028 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC2(CCC2)CO1 924115917 OTIGBZXPGTYZLE-MASHWEEQSA-N 303.358 2.186 10 10 DECE COc1ccc(N2CC[C@@H](NCc3nc(C)c(C)[nH]3)C2)cc1 850347299 PZNIFCVDCDIBCT-CQSZACIVSA-N 300.406 2.404 10 10 DECE Cc1cc(Cl)cc([C@@H](C)NCCN2CCC(N)CC2)c1O 925817717 VZDXAGNNWMFCEL-GFCCVEGCSA-N 311.857 2.428 10 10 DECE COC(=O)/C(C)=C\CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 922056370 ZESODMZICDMFPM-UKVQZPPCSA-N 319.405 2.232 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)on3)C2)cc1 855229478 NWXYHIBESCSALN-LBPRGKRZSA-N 301.346 2.000 10 10 DECE C[C@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccccc1O 868227071 RBYUFDQHUMLDLO-QWRGUYRKSA-N 315.377 2.051 10 10 DECE C[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)c1ccccc1O 868267446 IICYXJMRMMJHEM-WIUDPPPLSA-N 312.435 2.300 10 10 DECE C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO 931502434 PYSMESXXGSRMCV-CRAIPNDOSA-N 304.434 2.116 10 10 DECE COC(=O)CCCCCNC(=O)N[C@@H](C)c1ccccc1O 868016469 MXJNKPPYTCIBEZ-LBPRGKRZSA-N 308.378 2.486 10 10 DECE CCN(CC)C(=O)[C@H]1CCCN1Cc1c(O)cccc1OC 769120321 KWYHKGOKCSWHAY-CQSZACIVSA-N 306.406 2.234 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCOC2)c1 784542764 UZOGSJOKLJIFCA-RYUDHWBXSA-N 308.378 2.188 10 10 DECE CC(C)N1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 897493034 OKIBNLGOIWWUFF-UHFFFAOYSA-N 306.387 2.135 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2ncccn2)C1 899524355 KSVOJLTTYLXZOS-SNVBAGLBSA-N 317.320 2.047 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cnn(-c2ccncc2)c1 1137345471 KGZDHAMRDZCULE-UHFFFAOYSA-N 308.341 2.245 10 10 DECE CCC[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1136354468 PRJNWVRTFOEECN-OAHLLOKOSA-N 320.349 2.311 10 10 DECE CCc1cnc(CN(C)C(=O)Cc2ccc(O)c(O)c2)s1 1137123895 WTBAEXFQBLHCLP-UHFFFAOYSA-N 306.387 2.318 10 10 DECE C[C@H](O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1300256629 PEZHNFZNXXEBEP-DYZYQPBXSA-N 319.332 2.018 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccnc(OC(F)F)c1 1156886324 YOLWXHKMPGUCOC-UHFFFAOYSA-N 310.256 2.024 10 10 DECE CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCN=[N+]=[N-])nc1 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CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCN=[N+]=[N-])C[C@H]2C1 1965101384 CDXPIVCQOXSGDR-NHYWBVRUSA-N 323.397 2.450 10 10 DECE Cn1cc(/C=C2\SC(=S)N(CCO)C2=O)c2ccccc21 16904910 UPGMSPGUZJTNFR-JYRVWZFOSA-N 318.423 2.372 10 10 DECE COc1cc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)cc1OC 160132703 ZXZPOPJVOUDRAU-CQSZACIVSA-N 317.389 2.480 10 10 DECE C[S@@](=O)CCCCNCc1c(O)cccc1Br 2001790972 SLPXFHBGKYSEHN-QGZVFWFLSA-N 320.252 2.403 10 10 DECE NCc1cc(F)c(N2CC[C@]3(CCO3)C2)cc1Br 2035798214 NOGFYLLSFSWKCB-ZDUSSCGKSA-N 315.186 2.416 10 10 DECE Cc1cc(Br)ccc1N1N=C(C(=O)O)[C@@H](C)C1=O 2037176338 DCJYQHRVEQHCDT-SSDOTTSWSA-N 311.135 2.181 10 10 DECE CNCc1ccc(N(CCOCCO)C(C)C)c(Cl)c1 312419604 YIITWWXYLGHEHJ-UHFFFAOYSA-N 300.830 2.283 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CN2CCC1CC2 706829308 WLSHAMQIDRMTOE-CYBMUJFWSA-N 311.223 2.339 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(Cl)c1 688546410 RKPMUBQACUIMOB-UWVGGRQHSA-N 304.843 2.229 10 10 DECE C[C@@H](N)c1ccc(N2CCN3CC[C@H]2C3)cc1Br 381678495 BGDRGTQSMYDDHO-PWSUYJOCSA-N 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[N-]=[N+]=NC[C@H]1CCN(CCS(=O)(=O)C2CCCCC2)C1 1912150285 REQURABJSPSKBA-GFCCVEGCSA-N 300.428 2.366 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(O)[C@@H](N)c1ccccc1O 1920074283 FJIFUZGOEZKNBO-KEYYUXOJSA-N 322.405 2.200 10 10 DECE Oc1c(Br)cccc1CNCC[C@H]1COCCO1 1967716501 KTNQFRGIVVXLNJ-NSHDSACASA-N 316.195 2.050 10 10 DECE O[C@H]1CN(c2ccc(CNC3CC3)c(Cl)c2)CC1(F)F 2152096273 MEJMHHYFIHIBFM-ZDUSSCGKSA-N 302.752 2.408 10 10 DECE C[C@@H]1CC[C@H](Sc2nccs2)C[C@@]1(NC1CC1)C(N)=O 2175745349 HNLNDMXYEGJOQE-PUYPPJJSSA-N 311.476 2.400 10 10 DECE O=S1CCC(NCc2c(O)cccc2Br)CC1 706830491 YQGZAAXJMOTXQX-UHFFFAOYSA-N 318.236 2.155 10 10 DECE CC(C)[C@@](C)(NCc1c(O)cccc1Br)C(N)=O 706804218 DFUMCLRNBCSKBD-CYBMUJFWSA-N 315.211 2.144 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1C(=O)O 691412056 CIAGDYZTWDWBJV-GZMMTYOYSA-N 314.179 2.307 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2ccc(O)cc2O)C1 715147522 XGOMHRNDESPFAL-BJHJDKERSA-N 322.405 2.491 10 10 DECE CC1(C)[C@@H](O)C[C@]1(CO)NCc1cc(Cl)cc(Cl)c1O 2193975287 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310.296 2.478 10 10 DECE Cc1cc([C@@H](N)CC(=O)NCc2ccccc2O)cc(Cl)n1 828015571 JBKOHRALUZKJGG-ZDUSSCGKSA-N 319.792 2.455 10 10 DECE CN(C)c1ccc(/C=C/CN2CCC[C@@H](OCCO)C2)cc1 835027723 GCAXEQWWCDXJFA-YWPBOTNQSA-N 304.434 2.239 10 10 DECE CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1SC)C1CC1 842588619 NICNWPMECPPVNC-GFCCVEGCSA-N 317.432 2.281 10 10 DECE CO[C@@H]1CCCN(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 928424900 YOKYOBJIWIUVBT-SNVBAGLBSA-N 322.386 2.068 10 10 DECE CN1CCN(c2ccc(CN[C@]34C[C@@H]3COC4(C)C)cc2)CC1 858230260 SYBWBLRRXAIFRI-VQIMIIECSA-N 315.461 2.096 10 10 DECE C[C@H](NCC[S@](=O)CC(F)(F)F)c1ccc(F)cc1O 850495481 DVWFRFCGLJSEDF-FHZGZLOMSA-N 313.316 2.493 10 10 DECE CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 852521566 QNMMILVDHCBLDS-KOMQPUFPSA-N 305.422 2.428 10 10 DECE COCCN1CCC[C@@H]1CN[C@H](C)c1cc(F)cc(F)c1O 756531833 BEHOGKPZBCKIQD-DGCLKSJQSA-N 314.376 2.432 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3CCOC3)C2)cc1 855231477 AOQGTFZHDPEVGC-HUUCEWRRSA-N 318.417 2.207 10 10 DECE 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CC[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1ccccc1 1177249869 FXCVRSMPSQGKID-UKRRQHHQSA-N 301.342 2.340 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@]12CCOC2 1349764399 APZHIHWXJKXOHM-YXMMZVCTSA-N 303.358 2.283 10 10 DECE Cc1cnc2c(c1)N(C(=O)c1cn(C)nc1-c1cccnc1)CC2 1544297106 KKOUVTUVQCJVQV-UHFFFAOYSA-N 319.368 2.388 10 10 DECE C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ncon1 1558503002 AANJVVVLZDVVNW-SSDOTTSWSA-N 319.342 2.229 10 10 DECE COCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1625027982 XDVCUOKNTYYYAU-UHFFFAOYSA-N 315.369 2.316 10 10 DECE CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(O)cc1O 1630301938 OGFRQIDKBVJZNI-JOCHJYFZSA-N 319.382 2.155 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)CCCCCO)C2)cc1 1639683744 RLNVUTDEUWCYFK-OAHLLOKOSA-N 320.433 2.190 10 10 DECE Cc1cc(O)ccc1CC(=O)NCCc1ccc(O)c(O)c1 1636023066 WCLNJAOLMAJFJZ-UHFFFAOYSA-N 301.342 2.013 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3)n2)c1 1641729122 MOPZQESQDWWRHS-UHFFFAOYSA-N 308.341 2.211 10 10 DECE COCc1ccc2c(c1O)C(=O)c1ccc(O)c(OC)c1C2=O 14811204 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C[C@@H](C(=O)O)N1C(=O)/C(=C/Nc2ccccc2)SC1=S 100092524 UVVSUPAFRDSLTD-LRUQUBRESA-N 308.384 2.273 10 10 DECE CCCn1c(SCCCOc2ccc(N)cc2)n[nH]c1=O 61594753 NUYDZJGMSCMXRH-UHFFFAOYSA-N 308.407 2.125 10 10 DECE CCO[C@@]1(CSc2ncc(C(=O)OC)s2)CCOC1 2271588990 CNRNJNHOYXIKSS-LBPRGKRZSA-N 303.405 2.217 10 10 DECE Cc1ccc(O)c([C@@H](C)NC[C@@H](c2cnn(C)c2)N(C)C)c1 185485130 DIBAKPIMYYLGBN-CJNGLKHVSA-N 302.422 2.388 10 10 DECE COc1ccc(N(C)[C@@H](CN)[C@@H](C)NC(=O)OC(C)(C)C)cc1 226195005 KDMDCEVVOREOLJ-DOMZBBRYSA-N 323.437 2.372 10 10 DECE COc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)c(O)c1 92091067 WARVGGXAQMLKNC-CQSZACIVSA-N 320.433 2.086 10 10 DECE CC[C@H](C)NC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 243652113 PAFABOFBAUZVKM-ZDUSSCGKSA-N 319.405 2.088 10 10 DECE COc1ccc(O)c(CNC(=O)c2cnc(OC)c(Cl)c2)c1 802783222 JRHUSKDJYXKWHD-UHFFFAOYSA-N 322.748 2.388 10 10 DECE CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 824654924 SGHFVLXSTLAWOY-FRFSOERESA-N 321.417 2.153 10 10 DECE CN(C)c1ccc(CN[C@@H]2CNCC3(CCOCC3)C2)cc1F 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CC(C)c1cc(C(=O)NCc2ccc(O)cc2O)cc(O)n1 1630302039 PZKLYHLIIKFODE-UHFFFAOYSA-N 302.330 2.252 10 10 DECE O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1637738265 NOFFPDMJKSPUJN-CHWSQXEVSA-N 303.358 2.001 10 10 DECE O=C(N[C@@H]1CCOc2c(F)cccc21)c1cccc(O)c1O 1566049298 WYGHMIVEAJKYFQ-GFCCVEGCSA-N 303.289 2.491 10 10 DECE COc1ccc(CNC2(CNC(=O)c3ccc[nH]3)CC2)cc1C 1723491242 NLNPONWAFHMHCN-UHFFFAOYSA-N 313.401 2.384 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCOc1cccc(F)c1 1653396744 LOXBNDSBNCZMFA-UHFFFAOYSA-N 319.332 2.365 10 10 DECE CCN(C)c1ccc(CN2CCC[C@@H](NC(=O)NC)C2)cc1 1655581909 XAZTXNMVFHIKIB-OAHLLOKOSA-N 304.438 2.036 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H](C)[C@@H]1C 151032689 OYPLCWLRTARRIC-NWDGAFQWSA-N 313.357 2.500 10 10 DECE CN[C@H](c1ccccc1O)[C@@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 1921948063 ZTZJABATXLXHOL-ZLENFMNRSA-N 324.421 2.317 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C[C@@H]1C[C@H]1N 1952398544 AYZZWGUNWLUKAA-JHJVBQTASA-N 322.405 2.271 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)C[C@@H]1CC[C@H](F)C1 2150392230 WUFPVRHFLGKGLJ-OLZOCXBDSA-N 300.399 2.169 10 10 DECE CCCN(CCCCS(=O)(=O)O)Cc1ccccc1O 2143465489 ZNUAXQMMJNGJGY-UHFFFAOYSA-N 301.408 2.272 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1985095126 ZHTSEEZLTIVWQW-QWRGUYRKSA-N 323.397 2.258 10 10 DECE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccccc1O 1991544525 VDIRFIRGZBFCCZ-JJRVBVJISA-N 322.405 2.152 10 10 DECE CCSC1CN(c2cc3c(cc2Cl)[C@H](NC)C(=O)N3)C1 2153917570 YAHDCNKAHSUCEB-ZDUSSCGKSA-N 311.838 2.494 10 10 DECE COc1cc(Cl)cc(CN2C[C@H](C(F)F)[C@@H](N)C2)c1O 2158722162 RYNZMEUBHFDTFB-UWVGGRQHSA-N 306.740 2.078 10 10 DECE Oc1ccc(Br)cc1CN1CCCC2(CNC2)C1 2027713967 HWQNGMXEJWKPAC-UHFFFAOYSA-N 311.223 2.340 10 10 DECE C[C@@]12C[C@@H](CO1)N(c1ccc(CN)c(Br)c1F)C2 2027987367 WWXGZFUBKMOGLD-ZANVPECISA-N 315.186 2.415 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1c(F)ccc(F)c1Cl 707814080 LBIIUXKDNKAMCN-JTQLQIEISA-N 303.700 2.435 10 10 DECE CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccccc1O)C2O 2059110180 KVUSYDDIDNYQLV-OWCVQMPJSA-N 302.418 2.189 10 10 DECE CCn1nc(Br)c([C@@H](NC)c2ccccc2O)n1 2048803009 NMYWMLCENQZJEE-JTQLQIEISA-N 311.183 2.075 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CCn2nccc2C1 2108913201 AVMXHMDPMPJANT-NSHDSACASA-N 322.206 2.456 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CO)c(Cl)c1 2114227641 KHPBFRSDZMLMPD-UWVGGRQHSA-N 305.827 2.090 10 10 DECE Oc1c(F)cc(Br)cc1CNCCC1(O)CC1 2214479914 GNBCALLLBYFUDK-UHFFFAOYSA-N 304.159 2.298 10 10 DECE COC(=O)C1(C(=O)NCc2cnc(SC)s2)CCCC1 2284505579 XCXCLZCWWGZCKK-UHFFFAOYSA-N 314.432 2.215 10 10 DECE O=[N+]([O-])c1cccc(N=NN2CCN(c3ncccn3)CC2)c1 2318775829 MBAKAJUBQICHEI-UHFFFAOYSA-N 313.321 2.206 10 10 DECE OC[C@H]1C[C@@H](NCc2cccc(Br)c2O)[C@@H]2C[C@H]12 2309228443 GNDQUUNEDGCYJL-PRULPYPASA-N 312.207 2.261 10 10 DECE Oc1cccc(Br)c1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2O 2310040846 PRFDQCRQUQUDGQ-XYDQJSOLSA-N 312.207 2.404 10 10 DECE Cc1ccc(CN2C[C@H]3C[C@@H](O)[C@H]2C3)c(O)c1Br 2327622837 AVTIJWIVMBORJW-YUSALJHKSA-N 312.207 2.418 10 10 DECE CC(C)Nc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O 59696246 WMMGUOXXSWELDN-UHFFFAOYSA-N 312.325 2.276 10 10 DECE CCOCCN1CCN(Cc2cc3c(cc2O)CCC3)CC1 171890223 ZBPJLXOJTYWUKV-UHFFFAOYSA-N 304.434 2.035 10 10 DECE CCOc1cccnc1C(=O)NCc1cccc(OC)c1O 178190240 ASOUJDHHNAIXIO-UHFFFAOYSA-N 302.330 2.125 10 10 DECE C[C@H](NC(=O)[C@@]1(C)CCCO1)c1ccc(N2CCOCC2)cc1 127784990 RPVHJSBPOBQLDR-KBXCAEBGSA-N 318.417 2.270 10 10 DECE CCO[C@@H]1C[C@@](O)(CNCc2ccc(N(C)C)cc2)C1(C)C 188927258 NDFSVLRLUPZBJO-SJLPKXTDSA-N 306.450 2.408 10 10 DECE CC1=CN2C(=N)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)N=C2S1 33334985 RHGZIEVNZCTKMH-QLNZUXCASA-N 304.287 2.355 10 10 DECE Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(O)c1O 182824795 XFIGDWZHKAEASA-PXAZEXFGSA-N 305.374 2.173 10 10 DECE CCN1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 78307152 AUNBTDOVRYQUDR-KRWDZBQOSA-N 318.465 2.378 10 10 DECE CNC(=O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 133773758 WFWPDMMJKJIOOL-UHFFFAOYSA-N 317.433 2.208 10 10 DECE CN(C)c1ccc([C@@H](Cc2cn3ccsc3n2)NN)cc1 97773452 DZQQWCCGHRUZKG-CQSZACIVSA-N 301.419 2.209 10 10 DECE CCOc1ccc(O)c(CN2CCC(CNC(C)=O)CC2)c1 271126374 HKCPYXHBDPNGSH-UHFFFAOYSA-N 306.406 2.139 10 10 DECE C[C@@H]1C[C@@H]1N1C[C@H](NCc2c(O)ccc(Cl)c2F)CC1=O 373611176 MIUZTPMAGXQWAW-LNLATYFQSA-N 312.772 2.284 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 808503710 KXJJOZICMLPNMD-QMMMGPOBSA-N 319.140 2.462 10 10 DECE CCOCCOC1CN(Cc2cc(Cl)c(F)cc2O)C1 297725484 SEDGXEOZAURYAB-UHFFFAOYSA-N 303.761 2.422 10 10 DECE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CO)cc1Cl 2167824574 IPDLVBFYXJTZCV-UHFFFAOYSA-N 317.838 2.236 10 10 DECE Cc1cnn(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1 824386613 KTYMOSNAYMSYBM-UHFFFAOYSA-N 305.357 2.255 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H](O)C(F)(F)C1 826952908 WRZXGCOVCXUWTN-NSHDSACASA-N 322.149 2.357 10 10 DECE O=C(NCCN1CCCC1)c1cc2cc(O)c(O)cc2s1 900010748 AYNRZTFIFMZOKH-UHFFFAOYSA-N 306.387 2.138 10 10 DECE CC(C)[C@@H](O)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 588408622 PWCKOTXUQUQCBP-QKIRZYONSA-N 307.390 2.270 10 10 DECE COc1cccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)c1O 846108605 QBAYZTGEGYERBW-CQSZACIVSA-N 314.385 2.267 10 10 DECE CCOc1ccc(O)c(CNCC(C)(C)[C@@]2(O)CCOC2)c1 842757901 CTZGKJIDTVSTCM-QGZVFWFLSA-N 309.406 2.058 10 10 DECE COc1cc(O)c(CNCCCN(C)CC(C)C)cc1OC 845995357 CDYVJLLWMGYKDR-UHFFFAOYSA-N 310.438 2.477 10 10 DECE COc1cc(CN[C@H]2C[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 858246782 FSVJQPSWYPAGOE-UMSPYCQHSA-N 306.406 2.052 10 10 DECE O=C(NCCCc1nccs1)NCc1c(O)cccc1F 922523395 LPSRSJWXCMJRAX-UHFFFAOYSA-N 309.366 2.420 10 10 DECE C[C@H]1C[C@H]1c1noc(C(=O)NCc2cc(Cl)ccc2O)n1 866016602 QDWNNHQLXWUTOD-OIBJUYFYSA-N 307.737 2.482 10 10 DECE Cc1cc(Br)c(O)c(CNCC(F)(F)CO)c1 767194241 HNEDLSQLQSBRSV-UHFFFAOYSA-N 310.138 2.180 10 10 DECE COC(=O)CCCCOc1ccc(N(C)C)c(C(=O)OC)c1 865395506 SSWNFUYQYRJFSF-UHFFFAOYSA-N 309.362 2.261 10 10 DECE Cc1cc(CN2C(=O)N[C@@H](CF)C2=O)c(C)n1-c1ccccc1 863532491 NXLQWBVCOBCKDE-HNNXBMFYSA-N 315.348 2.484 10 10 DECE O=C(CCC(=O)N1Cc2cccc(O)c2C1)NC1CCCC1 871203925 VNHRLXHALBSPAG-UHFFFAOYSA-N 302.374 2.073 10 10 DECE COCCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1138251918 NPJCZPQURKFPLO-UHFFFAOYSA-N 301.342 2.468 10 10 DECE COc1cccc(CC(=O)NCCCSc2nccs2)n1 1144322568 WMYLGUPTIBNSHP-UHFFFAOYSA-N 323.443 2.388 10 10 DECE Cc1cccc(COCC(=O)NCc2ccc(O)c(O)c2)c1 1150378813 WGBDTDAMBKLECU-UHFFFAOYSA-N 301.342 2.239 10 10 DECE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(CCCN=[N+]=[N-])C1 1962298899 IQDCUZAGHBZKLJ-UWVGGRQHSA-N 307.320 2.466 10 10 DECE COc1ccc(N2CC[C@@H](CNCCCCCO)C2)cc1OC 76378996 JPGIDUKCDHJUIU-HNNXBMFYSA-N 322.449 2.282 10 10 DECE COC1(OC)CC[C@@H]1NCc1c(O)cccc1Br 711449639 JZFZBUOOEHXOMU-LBPRGKRZSA-N 316.195 2.396 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 1445992276 RLHWFCYTBCWMGW-KHYOSLBOSA-N 309.365 2.342 10 10 DECE C[C@H]1CCCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1464143794 CFNVGITVMDNHEL-LBPRGKRZSA-N 317.393 2.311 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cc(F)cc2nn[nH]c12 1469876827 JVRQUXUPSHJGPF-UHFFFAOYSA-N 320.711 2.386 10 10 DECE CC(C)(C)C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1628642380 PKRLQPWSOYRGNF-GFCCVEGCSA-N 306.366 2.376 10 10 DECE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O 1643738926 XZVBOPPGIPBMSP-SNVBAGLBSA-N 301.302 2.495 10 10 DECE O=C(Cc1csc2nccn12)NCc1c(O)cccc1F 1652298877 SAMPZKQLWORQGS-UHFFFAOYSA-N 305.334 2.099 10 10 DECE CCS[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 233883938 DOIWPSLKNJIIBR-KGLIPLIRSA-N 314.476 2.362 10 10 DECE COC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977938322 IDFFLBJIENCNOM-CABCVRRESA-N 324.421 2.326 10 10 DECE N[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C(F)F 2040867628 GUMKYMCGLCFAAU-ZJUUUORDSA-N 321.165 2.179 10 10 DECE C[C@@H]1C[C@H](O)CN(c2ccc(CN)c(Br)c2F)C1 401706414 QVFADDHTIXQVBS-SCZZXKLOSA-N 317.202 2.254 10 10 DECE COc1ccc([C@H](C)NCC(=O)NCc2ccccc2)c(O)c1 321293212 KRRQKUSJSRWTGV-ZDUSSCGKSA-N 314.385 2.368 10 10 DECE C[C@@H](CC(=O)N(C)C)NCc1c(O)cccc1Br 706804335 IIASWGOSKGFMJN-VIFPVBQESA-N 315.211 2.111 10 10 DECE CNCc1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl 380724520 JVMAMTFJLHXCDK-CYBMUJFWSA-N 316.854 2.073 10 10 DECE Cc1nc([C@@H](NCCN=[N+]=[N-])C(=O)O)sc1Br 719297916 FBPANMMSFIDPLD-RXMQYKEDSA-N 320.172 2.240 10 10 DECE CCNC(=O)CN(C)c1ccc([C@H](C)N)c(Br)c1 723165566 ZHPVFNNPCLMDAZ-VIFPVBQESA-N 314.227 2.041 10 10 DECE C[C@H]1C[C@@H](CO)CN(c2ccc(CN)c(Br)c2)C1 399090345 RDRGZEJVKFTNIB-WDEREUQCSA-N 313.239 2.363 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC34CCCCC4)c2n1 2063513153 OVGNCBNPDPVXCV-GFCCVEGCSA-N 300.362 2.196 10 10 DECE C[C@@H](O)[C@@H]1CCCN1c1cc(Br)c(CN)cc1F 2073321524 ADMNVYFZVQAOKW-PELKAZGASA-N 317.202 2.397 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)C1(C(=O)O)CC1 2081029602 DHBFAABTZMBXHK-UHFFFAOYSA-N 318.142 2.343 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNCc1ccc(O)c(O)c1 2244703354 CWOATXIVEIOLHF-OLZOCXBDSA-N 322.405 2.491 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)c(Br)c1 2258370502 CBCQHGAWNLNUDG-GCDPNZCJSA-N 311.223 2.286 10 10 DECE CCN1C(=O)C(=Cc2cc(C)n(C3CC3)c2C)C(=O)NC1=S 2293779506 VZNMMPBFRBGRTJ-UHFFFAOYSA-N 317.414 2.086 10 10 DECE CCN(CC(=O)O)Cc1ccc(C)c(Br)c1O 2307566039 SJATUERKIOGBIR-UHFFFAOYSA-N 302.168 2.370 10 10 DECE CN(Nc1nc2ccc(F)cc2s1)S(=O)(=O)C1CC1 2339728833 LLWUDIXDWJEWMU-UHFFFAOYSA-N 301.368 2.186 10 10 DECE Cc1ccc(CN2C(=O)[C@H]3CC[C@@H]3C2=O)c(O)c1Br 2352943967 ASEYAGQFBKDYNA-UWVGGRQHSA-N 324.174 2.358 10 10 DECE CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)c1 101103823 SUXQFIOZEJJRGE-SCLBCKFNSA-N 313.353 2.402 10 10 DECE Nc1ccc(-n2nccc2NS(=O)(=O)c2cccs2)cc1 61628848 NBNIPFLLJWAPPW-UHFFFAOYSA-N 320.399 2.317 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2COc3ccccc32)c1O 174441617 RFSHFBOLOSJFKO-CYBMUJFWSA-N 314.341 2.334 10 10 DECE O=C(Cn1nnnc1/C=C/c1ccccc1)c1ccc(O)c(O)c1 126772241 MGGWSDLYUVNEKY-RMKNXTFCSA-N 322.324 2.138 10 10 DECE CN(CCOCc1ccccc1)C(=O)COc1ccc(N)cc1 383946044 QVUYBOHWYLHDKJ-UHFFFAOYSA-N 314.385 2.323 10 10 DECE Nc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 242954611 HGYJHWQOMGFJSX-UHFFFAOYSA-N 313.430 2.183 10 10 DECE Oc1ccc(F)cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O 282968918 IJOLIASOYCXKAD-WBMJQRKESA-N 309.381 2.189 10 10 DECE C[C@@H]1SCCS[C@H]1[C@@H](NN)c1ccc2c(c1)CCN2C 2163134705 BUGLMLCTGLTISA-NZVBXONLSA-N 309.504 2.420 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([C@@H]2CCOC2)C1 827202923 KRBNZIFUYDMTNU-GHMZBOCLSA-N 309.337 2.126 10 10 DECE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O 835051886 BAPCOOPKUBHSFP-XEVLESSRSA-N 322.474 2.273 10 10 DECE Cc1ccncc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 830298080 RGYPLFXBHZCVNA-UHFFFAOYSA-N 323.393 2.074 10 10 DECE CC[C@@H](C)C[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC 843938326 DJDFMXBCRBSMFF-SKDRFNHKSA-N 309.362 2.114 10 10 DECE C[C@H](NC[C@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 927136701 RVSVVVBEWSMSDG-SGTLLEGYSA-N 315.417 2.389 10 10 DECE CN(C)c1ccc(CNCc2noc3c2COCC3)cc1F 923016035 IGLYVQUJPUPODR-UHFFFAOYSA-N 305.353 2.242 10 10 DECE O=C(NCc1c(O)cccc1F)C(F)(F)C1(O)CCCC1 928707788 IKFOMJBPTOASPT-UHFFFAOYSA-N 303.280 2.088 10 10 DECE O=[S@](CCN[C@H]1CCc2cccc(O)c21)CC(F)(F)F 850495204 YGNKMQARPRPSIR-WVDJIFEKSA-N 307.337 2.280 10 10 DECE CCO[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)C1 850360294 GDTOFUKNCWSKPC-SAABIXHNSA-N 303.450 2.096 10 10 DECE CCN(CC)c1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1F 858228005 XGVZHGYZSMLCMK-DLBZAZTESA-N 310.413 2.301 10 10 DECE COC[C@@H]1CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 751964178 BIMGAUOPCNTCQW-CFNZNRNTSA-N 320.345 2.396 10 10 DECE Cc1noc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 773268119 QSZXKAJJOFUODL-LLVKDONJSA-N 317.393 2.047 10 10 DECE CCCOc1cccnc1C(=O)NCc1cccc(O)c1O 1123887916 FVOYAJPRENWZMA-UHFFFAOYSA-N 302.330 2.212 10 10 DECE CCc1cnc(/C=C2\SC(N3CCOCC3)=NC2=O)s1 783702189 SKRBWRGCVJKQNL-YFHOEESVSA-N 309.416 2.008 10 10 DECE CN(C[C@@H]1CCCN1C)C(=O)c1cc2cc(O)c(O)cc2s1 897999988 JCYPGWMEYVIPLY-NSHDSACASA-N 320.414 2.479 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 1133685910 JZAJGGZZBRYMOL-CMDGGOBGSA-N 309.369 2.426 10 10 DECE C[C@@H]1C[S@@](=O)CCN1Cc1cc(Br)ccc1O 1970310000 IUAOLAWRICANAA-XLFHBGCDSA-N 318.236 2.108 10 10 DECE C[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)c1ccc(N(C)C)cc1 1226646815 IIAGUBUFNRIJEH-DVOMOZLQSA-N 305.422 2.226 10 10 DECE CN(Cc1c(O)cccc1Cl)C1CCS(=O)(=O)CC1 694188239 HNESRXBPMIXVIS-UHFFFAOYSA-N 303.811 2.055 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@H]1CCCNC1 715766472 SBXGLOAPDRBKGY-NSHDSACASA-N 317.202 2.478 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H](O)c1ccnn1C 1332440170 HJFVUIPKXUTKQO-LALPHHSUSA-N 301.390 2.306 10 10 DECE CCOc1ccc(N2CCN(Cc3cnn(CC)n3)CC2)cc1 1330557853 BCGQZNVSOPMFPJ-UHFFFAOYSA-N 315.421 2.019 10 10 DECE CC(C)COc1ncccc1C(=O)NCc1cccc(O)c1O 1348046109 IAHXWWGSPHXHRR-UHFFFAOYSA-N 316.357 2.458 10 10 DECE COc1cccc2c(C(=O)N(C)Cc3ccccc3O)cnn12 1445654890 YHNGMDCXMPMKJJ-UHFFFAOYSA-N 311.341 2.321 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CCO)CC2)cc1 1299511281 CCNHIOJWFKWLNO-GFCCVEGCSA-N 318.377 2.474 10 10 DECE CCc1ccc(OCC(=O)NCc2ccc(O)cc2O)cc1 1626837836 GJGHBQOGXXTEFQ-UHFFFAOYSA-N 301.342 2.355 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2coc(C)n2)cc1C 1491436400 XWTPQKOXSNXFCW-LBPRGKRZSA-N 317.389 2.208 10 10 DECE 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CSc1ncc(CNC(=O)NC[C@@H](C(=O)O)C(C)C)s1 2284500240 PHGLKSZDWXDSAI-SECBINFHSA-N 317.436 2.021 10 10 DECE Cc1cc(N2CCOCC2)ccc1C=C1SC(=S)NC1=O 2297365934 SQCVAJVIILYOAM-UHFFFAOYSA-N 320.439 2.320 10 10 DECE COC(=O)[C@H](C)NCc1ccc(C)c(Br)c1O 2307475646 SERWDWCIXDDTCB-QMMMGPOBSA-N 302.168 2.114 10 10 DECE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@H]3C4)c(Br)cc21 2330087388 XUAJKKHZVOTAGV-BFHDXFOESA-N 322.206 2.390 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC[C@@H]3CCN[C@@H]3C2)s1 2359580480 CYAXCKPWTSDNOE-JFGNBEQYSA-N 311.476 2.259 10 10 DECE CCn1cc([C@H]2CN(Cc3cc(OC)ccc3O)CCO2)cn1 191708844 ZXTQWMFYKNEXMQ-QGZVFWFLSA-N 317.389 2.191 10 10 DECE CNCc1ccc(N(C)CC[C@@H](C)O)cc1Br 234404241 ITUYRFYJVOYYGG-SNVBAGLBSA-N 301.228 2.376 10 10 DECE CN(Cc1cccnn1)c1ccc(CO)cc1Br 700679181 NFDHFZQWTKYBKC-UHFFFAOYSA-N 308.179 2.368 10 10 DECE Oc1cc2c(cc1CN[C@H](c1ccccc1)c1nc[nH]n1)OCO2 364680491 YZRCSCDJCIYPDJ-MRXNPFEDSA-N 324.340 2.118 10 10 DECE CCc1cc(C(=O)OCC(=O)C(C)=O)c2c(C(C)C)noc2n1 808547830 UOVSERBYTVSRLA-UHFFFAOYSA-N 318.329 2.224 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CC12CC2 817234918 DUOWMDGBTLRZCW-OAHLLOKOSA-N 316.401 2.054 10 10 DECE C[C@H](NC(=O)c1ccnc2c1CC(=O)N2)c1ccc(N(C)C)cc1 832430221 BAGYBYSYTGQLCS-NSHDSACASA-N 324.384 2.133 10 10 DECE O=S(=O)(CC1(F)CC1)NCc1ccc(N2CCCC2)cc1 913916111 YKLFZXOVQHEVPK-UHFFFAOYSA-N 312.410 2.208 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCC(C3(O)CC3)CC2)c1O 846006752 CULIQTIVNBRLSO-UHFFFAOYSA-N 322.361 2.046 10 10 DECE Cc1ccc(O)c(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1 858596609 GXZQDDDLGVGENY-CQSZACIVSA-N 305.422 2.373 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H](C)OC)C2)cc1 855224092 CXDOSPLUYJPPCE-ZIAGYGMSSA-N 306.406 2.205 10 10 DECE C[C@@H]1CCC[C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)O1 850379516 RSRPQEVYWYDCQS-APWZRJJASA-N 317.477 2.486 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1ncc2n1CCCC2 868936326 AEMPBMCWKTTXOF-UHFFFAOYSA-N 322.368 2.403 10 10 DECE C[C@H]1COCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862026766 ZRTUJACRTMRECL-FZMZJTMJSA-N 300.358 2.229 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)n[nH]2)c1 861383328 DQSSIRJQXIBYTA-MRVPVSSYSA-N 306.322 2.015 10 10 DECE CCc1nnc(CNC(=O)N[C@@H](C)c2ccccc2O)s1 868631461 UUNZOKOFMYTYIO-VIFPVBQESA-N 306.391 2.367 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@H]2CCOC2=O)c1 872114019 SURLAGLOQUAFAX-NEPJUHHUSA-N 321.373 2.173 10 10 DECE Cc1cc(Br)c(O)c(CN[C@H](CO)C2CC2)c1 781631445 LACVKEYEKKBBQB-GFCCVEGCSA-N 300.196 2.324 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(CO)c1 1136190129 SOEKJBZHKSMOHA-UHFFFAOYSA-N 311.385 2.104 10 10 DECE COc1nn(C)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 789325289 GZBLIUXBNKEDOP-NSHDSACASA-N 317.393 2.377 10 10 DECE CC1(C(=O)NCc2c(O)cccc2O)CCC2(CC1)OCCO2 1156885473 GCCYQWIYVDDHJN-UHFFFAOYSA-N 321.373 2.037 10 10 DECE C[C@@H](Oc1ccccn1)C(=O)NCc1ccc2cccnc2c1O 1162612348 HUKZURCWWDYQQQ-GFCCVEGCSA-N 323.352 2.419 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CC[C@@H]4C3)c(Br)cc21 688348731 GTTVUXWXWCWOQD-RBDZCENOSA-N 322.206 2.247 10 10 DECE C[C@H](O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 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DECE O=C(O)[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 864519350 MAUSWXWPMHLSHW-IRXDYDNUSA-N 318.417 2.399 10 10 DECE O[C@@]1(CNCc2ccc3c(c2)CCO3)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 785543682 IBJIQEVJDQSPML-MIUXKUMISA-N 323.436 2.220 10 10 DECE COC(=O)c1c(CN2CC[C@@H](OC)C2)c2cc(F)ccc2n1C 894033944 KJMKDYDVAPUAKJ-GFCCVEGCSA-N 320.364 2.325 10 10 DECE COc1cc(C)cc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1O 895238097 VLALWODVBQRYBE-NUEKZKHPSA-N 323.433 2.365 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccncc1C(F)(F)F 1142533805 RGMWVQLSBKVNAR-UHFFFAOYSA-N 312.247 2.442 10 10 DECE CO[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F 1145060954 YYWJRSUWTHZCIQ-VIFPVBQESA-N 318.255 2.156 10 10 DECE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1897296074 MQBQFRPSHPIWAE-XHDPSFHLSA-N 323.397 2.447 10 10 DECE COc1ccc(Br)c(CN[C@H]2CO[C@@H](C)C2)c1O 1964044560 DSQJCTNQRRZPSX-DTWKUNHWSA-N 316.195 2.430 10 10 DECE COc1ccc(C(=O)NCc2cccc(O)c2O)nc1Cl 1176565154 IIKHIOAYHTUYAT-UHFFFAOYSA-N 308.721 2.085 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)CC(C)(C)N 715791908 LTRZCSLRWWSWGV-UHFFFAOYSA-N 305.191 2.463 10 10 DECE Fc1cc(CN[C@@H]2C[C@H]3CC[C@H]2O3)ccc1N1CCOCC1 1262185785 AJNRBROZYORUPD-FRFSOERESA-N 306.381 2.072 10 10 DECE COCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C 1504841785 QHMUYBIQHXZVQF-UHFFFAOYSA-N 317.437 2.092 10 10 DECE CC1CCN(c2ccc(CNC(=O)[C@H](C)CC(N)=O)cc2)CC1 1443664126 MELDAUUUTXBFSP-CQSZACIVSA-N 317.433 2.051 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CCO)cc1 1464043495 WONVCXAIGQHGJS-CYBMUJFWSA-N 304.350 2.226 10 10 DECE COCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1567036854 VMDLRUJWBQIKQQ-CQSZACIVSA-N 322.449 2.271 10 10 DECE C[C@H]1CCC[C@H](CCN(C)C)N1C(=O)Cc1ccc(O)c(O)c1 1585125639 OYPBAJKMHOKKFH-DZGCQCFKSA-N 320.433 2.362 10 10 DECE CC[C@@H](CNC(=O)c1cocn1)NCc1ccc(OC)c(C)c1 1698597348 VGZTWTZNKLFRME-AWEZNQCLSA-N 317.389 2.290 10 10 DECE COc1ccc(CNC[C@@H](NC(=O)C2CC2)C2CC2)cc1C 1699568943 BLIBBDLVZJFSMW-MRXNPFEDSA-N 302.418 2.398 10 10 DECE Cc1ccc(O)c(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c1 1860825028 JKFFQIXPYULAKZ-KIFNTFBYSA-N 323.395 2.375 10 10 DECE C[C@@H](O)c1ccc(N2CCn3nncc3C2)cc1Br 2130072255 UXZDAAQFLNYUNA-SECBINFHSA-N 323.194 2.114 10 10 DECE COc1ccccc1NC(=O)CNCc1cc(C)ccc1O 1857857369 DPOUICNLODMELU-UHFFFAOYSA-N 300.358 2.438 10 10 DECE CN(C)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 128152549 ZHPYVJFWCCFOJN-GFCCVEGCSA-N 319.232 2.461 10 10 DECE CC(C)(C)OC(=O)N[C@H](C=CCO)Cc1ccc(O)c(O)c1 1951505790 DHYMIQWVCBEFAX-GFCCVEGCSA-N 309.362 2.082 10 10 DECE CN(CC[C@H](N)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1952851069 GFIRBURHDHHFHQ-LBPRGKRZSA-N 310.394 2.225 10 10 DECE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1CCCSC1 2146124376 MSFCJBZNRZRBQW-DGCLKSJQSA-N 314.476 2.220 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H]2[C@H](C)O)cc1Br 2011148881 KLJVBORKMPMODU-RVBZMBCESA-N 300.196 2.462 10 10 DECE CN([C@H]1CCCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2160497481 FSKANDKDPAYMJS-LBPRGKRZSA-N 304.362 2.218 10 10 DECE CCN(Cc1ccc(N)cc1)c1nc(Br)nn1C 2052951145 QGHBKPVNZYTCIL-UHFFFAOYSA-N 310.199 2.186 10 10 DECE NCc1ccc(N2CC[C@H](O)[C@H]3CC[C@@H]32)c(Br)c1 2070015605 UEGXZZAQQRDXTR-JKOKRWQUSA-N 311.223 2.257 10 10 DECE CC(C)(O)[C@@H]1CCN1c1cc(Br)c(CN)cc1F 2071159773 FZIGXWJSLYSYKZ-LBPRGKRZSA-N 317.202 2.397 10 10 DECE C[C@H](O)c1ccc(N(C)[C@H]2C[C@@H](O)C2)cc1Br 2212789103 HUGQKXKUVBHGJO-INTQDDNPSA-N 300.196 2.462 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)cc1Br 2254113814 HZMGTYFXXWJWOH-ISTVAULSSA-N 311.223 2.430 10 10 DECE CNCc1ccc(N2CCO[C@@H](P(C)(C)=O)C2)c(F)c1 2289310645 MBRMUPAVODTRRL-AWEZNQCLSA-N 300.314 2.331 10 10 DECE CCN1N=C(C)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O 2332114962 HZAPFMFIRROZNU-UHFFFAOYSA-N 304.346 2.334 10 10 DECE OC[C@H]1CCC[C@@H]1NCc1cc(Br)ccc1O 230680426 WZYZPIQYJCOGKG-SKDRFNHKSA-N 300.196 2.405 10 10 DECE Cn1nccc1CCC(=O)NCCCSc1nccs1 186212235 LSZUKFISLOQRTI-UHFFFAOYSA-N 310.448 2.108 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40349042 PQLZVZLJWPLGRB-LLVKDONJSA-N 322.352 2.373 10 10 DECE CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(O)c1O 193131738 VKGRJCXBGRXURD-LLVKDONJSA-N 316.361 2.078 10 10 DECE CN(C)[C@H]1CCN(c2ccc(CN)c(Br)c2F)C1 231839932 LXQKZNZQWNVMMK-JTQLQIEISA-N 316.218 2.187 10 10 DECE CC(=O)C(=O)COC(=O)c1cc2c(OC(F)F)cccc2[nH]1 808499557 CQUYXLPXBOAMCI-UHFFFAOYSA-N 311.240 2.084 10 10 DECE CCN(Cc1cc(Cl)c(F)cc1O)[C@H](C)CS(C)(=O)=O 295328652 LUKHPZOCLWVRDK-SECBINFHSA-N 323.817 2.440 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)c1ccnn1C 817433342 NCQJFYZJQPOUCC-CYBMUJFWSA-N 300.406 2.214 10 10 DECE Cc1cc(O)c(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1Cl 827164763 MOVDWAKBXKZISF-ZYHUDNBSSA-N 317.838 2.409 10 10 DECE Fc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)ccc1N1CCOCC1 825125410 JTRWWWSZOUTZTA-YJBOKZPZSA-N 320.408 2.319 10 10 DECE CN(C)c1ccc(/C=C\CNC[C@@]2(CCO)CCOC2)cc1 835043339 PEICIXVVISYUJV-DDKKJVIOSA-N 304.434 2.145 10 10 DECE COC(=O)CC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 846027551 RBCCWGDHTIWCTF-UHFFFAOYSA-N 314.725 2.139 10 10 DECE O=C(Cn1ccc(=O)c2ccccc21)NCc1ccccc1O 748347024 RYRLNYQKRGCVEY-UHFFFAOYSA-N 308.337 2.024 10 10 DECE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnn1C 850567624 HPOASIGGQPKTMK-CQSZACIVSA-N 314.433 2.232 10 10 DECE COC[C@@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)OC 851841858 YNHYPHVZYFHDOE-JKSUJKDBSA-N 309.406 2.035 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 854988471 YAFDYLBVRQODHZ-FICVDOATSA-N 317.385 2.330 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1n[nH]c2c1CCCC2 862028749 JMYJTDFAFKDXLN-UHFFFAOYSA-N 322.368 2.472 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccncc1 867302329 NVMZSRLCDWKCOJ-VXGBXAGGSA-N 300.358 2.344 10 10 DECE C[C@@H](NS(=O)(=O)c1ccccc1N)c1ccc(N(C)C)cc1 773086639 FHJLAQVCFPPGCK-GFCCVEGCSA-N 319.430 2.374 10 10 DECE Oc1cc2c(cc1CNCC1(C3(O)CCC3)CCC1)OCO2 895870731 UDVLZBWYFMEEGP-UHFFFAOYSA-N 305.374 2.296 10 10 DECE CC[C@H](CNCc1cc(Br)ccc1O)C(=O)OC 895121459 XJFAUFKIMDJSJB-SECBINFHSA-N 316.195 2.444 10 10 DECE CCN(C)[C@H](C(=O)NCc1c(O)cccc1O)c1ccccc1 1156881149 RIAUQOSACZTXPU-KRWDZBQOSA-N 314.385 2.407 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)CCc2cc(C)[nH]n2)c1 1150543442 OWBNVCJTVNJBGP-NSHDSACASA-N 303.362 2.242 10 10 DECE CO[C@@H]1COCC[C@@H]1NCc1c(O)cccc1Br 706828435 DCZDUDZCJVDPIW-WCQYABFASA-N 316.195 2.048 10 10 DECE Nc1ccc(CCC(=O)NCC2CN(Cc3ccccc3)C2)cc1 716246522 XQCVMNFMNPXHTK-UHFFFAOYSA-N 323.440 2.450 10 10 DECE Cn1cc(C(=O)NCCCCN=[N+]=[N-])nc1Br 698416082 QTEMQUSMBNTPQT-UHFFFAOYSA-N 301.148 2.003 10 10 DECE Cc1cccc(N(CCC(N)=O)C(=O)c2cc(O)cs2)c1 1292308547 GUBITPGYOPZQIV-UHFFFAOYSA-N 304.371 2.284 10 10 DECE Cc1ccsc1[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1466339598 DUACQIGKDUNNFT-OGOUPESXSA-N 319.382 2.331 10 10 DECE Cn1ncc(Cl)c1C(=O)NCc1cc(Cl)ccc1O 1469877753 UDHLDXVOMLISPI-UHFFFAOYSA-N 300.145 2.363 10 10 DECE COc1cccc(CCC(=O)NCc2cc(O)ccc2O)c1 1471661597 UUAQVUPPYCCHHM-UHFFFAOYSA-N 301.342 2.355 10 10 DECE CCOCC(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1485082881 GNKINTVAPIIKDY-UHFFFAOYSA-N 320.433 2.025 10 10 DECE CC(C)C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1637260819 QCDYJHMJRZPHSD-UONOGXRCSA-N 307.390 2.350 10 10 DECE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C 1635599503 SCNKBYCMCQPTCP-SECBINFHSA-N 320.349 2.309 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2ncoc2C)cc1C 1567002233 PBBYNDUXGIAIPQ-GFCCVEGCSA-N 317.389 2.208 10 10 DECE Cc1cc(CC(=O)Nc2nncn2C)c(C)n1-c1ccccc1 1632622645 ASKDCAVRMCQDOD-UHFFFAOYSA-N 309.373 2.404 10 10 DECE Cc1cc(C(=O)NCc2ccccc2O)c(C)n1-c1cnn(C)c1 1566373948 NGNJTOGPRLXVMW-UHFFFAOYSA-N 324.384 2.463 10 10 DECE Cn1nnc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc21 1639892499 ZLYWFAWQRHWRKT-UHFFFAOYSA-N 323.316 2.383 10 10 DECE CCCCOC(=O)[C@@H](C)N(C)c1ccc(OCC(=O)OC)cc1 1654112639 DKQWOOXDWKMABM-CYBMUJFWSA-N 323.389 2.406 10 10 DECE COc1ccc(N2C[C@@H](O)[C@H]2C)c(OC)c1Br 2214057961 QSOQSSMWODEKBA-VXNVDRBHSA-N 302.168 2.036 10 10 DECE Cc1ccc(O)c(CNCC(=O)Nc2cccc(Cl)n2)c1 1857858170 WMOKMLCCQZAGKJ-UHFFFAOYSA-N 305.765 2.477 10 10 DECE CC(C)(C)OC(=O)N[C@]1(C)CCN(Cc2cc(N)ccc2O)C1 1904675669 FYNQVWHCFCOUAW-QGZVFWFLSA-N 321.421 2.464 10 10 DECE Oc1c(F)cc(Br)cc1CN1CC[C@]2(CCN2)C1 1923037954 MUIYPYQYMYTISA-CYBMUJFWSA-N 315.186 2.232 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cc(O)nc(O)c1 1952608588 QVPQTTSAUPXFPN-LLVKDONJSA-N 308.334 2.134 10 10 DECE CCOC(=O)[C@H]1CCN[C@@H]1c1c(O)cccc1Br 1952880925 MNWBKRTURWLFSC-UFBFGSQYSA-N 314.179 2.368 10 10 DECE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)N1CC(N=[N+]=[N-])C1 1985104829 LZSLNDKBAUIOOX-SNVBAGLBSA-N 323.397 2.401 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(N)c1ccccc1O 1993628842 ZFHRCVMMBLJPCV-DYVFJYSZSA-N 322.405 2.248 10 10 DECE CC1(C)C[C@@H](NCc2ccc(Br)cc2O)[C@H]1O 1998372415 MMROUGBESDYIDF-ZYHUDNBSSA-N 300.196 2.404 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@@H](F)C2)c(Br)c1 2027968297 DHDXFKFODYSMIW-WLTAIBSBSA-N 318.186 2.412 10 10 DECE CON(C)C1CN(c2ccc([C@H](C)N)cc2Br)C1 2028071755 RGROUUXEEXRRHL-VIFPVBQESA-N 314.227 2.151 10 10 DECE NC(=O)[C@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 2029531194 YLJAVPHJMIYSPP-IUCAKERBSA-N 312.211 2.487 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CCCC(F)(F)C1 2062085375 FRGBGAJVCXAHSY-QMMMGPOBSA-N 301.289 2.245 10 10 DECE CCCN(CCS(C)(=O)=O)c1ccc([C@@H](C)N)cc1F 2170177687 MDHDQBMFHKWMAD-LLVKDONJSA-N 302.415 2.106 10 10 DECE CNC(=O)c1cc(C(F)(F)F)n(Cc2cccc(F)c2O)n1 2079250318 DXDAKWLLHCJMIF-UHFFFAOYSA-N 317.242 2.155 10 10 DECE COC(=O)c1c(C)nn([C@H](C)c2cc(C)c(C)cc2O)c1N 2079931319 FQKYQNLUJBJFRX-LLVKDONJSA-N 303.362 2.492 10 10 DECE Nc1ccc(CS(=O)(=O)Nc2ccc(N)cc2Cl)cc1 2191648425 RKSLFSIPOLHBCB-UHFFFAOYSA-N 311.794 2.446 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2ncno2)c(Br)c1 2042284159 OHGBEJNHFQGXGM-QMMMGPOBSA-N 311.183 2.488 10 10 DECE CCN1CCN(c2ccc(CN)cc2Br)[C@@H](C)C1 2043260262 ZUWYHKHFIYVLEP-NSHDSACASA-N 312.255 2.438 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2057004644 DKSVPKFOLSDIBA-QRTLGDNMSA-N 317.202 2.235 10 10 DECE CN(Cc1ccccc1O)C(=O)c1c[nH]nc1Br 2070673743 DKWVOYBTPBXIEM-UHFFFAOYSA-N 310.151 2.150 10 10 DECE CNCC[S@@](C)(=O)=Nc1ccc(C2=S=CC=C2)s1 2085068347 JCBQGPWNVYNKEL-GOSISDBHSA-N 300.474 2.323 10 10 DECE CN(Cc1ccnnc1)c1ccc(CO)c(Br)c1 2261274591 GXNFFVBLRKMCHN-UHFFFAOYSA-N 308.179 2.368 10 10 DECE CN(CCNC(=O)C=Cc1ccc(O)c(O)c1)C1CCCC1 2307987343 SYYXLIYUMDHFQC-UHFFFAOYSA-N 304.390 2.102 10 10 DECE CO[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 1654 PDHSAQOQVUXZGQ-CVEARBPZSA-N 304.298 2.200 10 10 DECE biogenic O=C(CN1C(=O)CSC1=S)Nc1cccc(Cl)c1 82324525 CMPCNKQPQAIDMJ-UHFFFAOYSA-N 300.792 2.139 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1F 131323031 YNRMYUTVUHWVFN-MQMHXKEQSA-N 323.412 2.242 10 10 DECE CC(C)C(=O)N1C[C@@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]2C1 96080865 MRBFMBJBTFCUCY-CALCHBBNSA-N 315.461 2.299 10 10 DECE CN(C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 358576440 JZOWYCBAZOTVRT-UHFFFAOYSA-N 314.370 2.019 10 10 DECE C[C@@H]1C[C@H]1N1C[C@H](NCc2c(O)ccc(Cl)c2F)CC1=O 373611171 MIUZTPMAGXQWAW-KBVBSXBZSA-N 312.772 2.284 10 10 DECE Oc1ccc(F)cc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O 282968912 IJOLIASOYCXKAD-LRDDRELGSA-N 309.381 2.189 10 10 DECE COC(=O)/C=C/c1ccc(N2C[C@H](F)[C@H](F)C2)c([N+](=O)[O-])c1 295038909 SPEZEAZOZCWGIQ-RSSNJPKISA-N 312.272 2.277 10 10 DECE C[C@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccc(N(C)C)cc1 812901981 CHENSQZQXOMWKF-SWLSCSKDSA-N 305.422 2.368 10 10 DECE C/C=C\C[C@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 588489519 CUCNXPFIBXYWLD-OTDNITJGSA-N 300.742 2.371 10 10 DECE COc1ccc(O)c(CNC(=O)[C@]2(O)CCCC(C)(C)C2)c1 830544661 SOTVMJIBWHUPQV-KRWDZBQOSA-N 307.390 2.348 10 10 DECE CC(C)(C)OC(=O)NCCCOC(=O)c1cccc(O)c1O 837648756 WFUWZDRMZATIDD-UHFFFAOYSA-N 311.334 2.169 10 10 DECE Cc1cc(O)c(CN2CC[C@H](C)S(=O)(=O)CC2)c(Cl)c1 840941579 DCYSPSYYSKFWKR-NSHDSACASA-N 317.838 2.363 10 10 DECE O=C(NCCCSc1nccs1)[C@@H]1CC[C@@H](C2CC2)N1 846671481 UFNURZLCXWKTME-RYUDHWBXSA-N 311.476 2.272 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1COC2(CCC2)C1 850367688 OUTGIFBQHYYZNH-INIZCTEOSA-N 302.418 2.324 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(O)nn3)C2)cc1 850488764 OLOBSNHSTGXOKM-STQMWFEESA-N 314.389 2.120 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cncc(C)c3)C2)cc1 855232063 QEORUWBMBZNKTD-OAHLLOKOSA-N 311.385 2.407 10 10 DECE C/C=C\C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O 761354030 NRMYVAFJZLOELC-YVACAVLKSA-N 301.390 2.448 10 10 DECE CCCC(=O)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871201205 RXFZZRBRHUEJTA-CQSZACIVSA-N 302.374 2.026 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)cc1 1119756309 ISICYVGURIBCMW-BRWVUGGUSA-N 300.402 2.493 10 10 DECE C[C@@H](CC(N)=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 1137343446 PPIRJALZJAAEBB-LBPRGKRZSA-N 316.357 2.026 10 10 DECE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(C)c(C)cc1O 895863322 LKUNJDJKWGZUCG-GJZGRUSLSA-N 307.390 2.209 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NCCCN=[N+]=[N-])C1 1957250308 PIQRVLLSNLJMDA-UZJPJQLHSA-N 317.415 2.452 10 10 DECE O[C@@H]1[C@H](O)CN(c2ccc(OCc3ccccc3)cc2)[C@H]1CF 1899864375 KSMMCGOXUKDSFQ-KSZLIROESA-N 317.360 2.146 10 10 DECE CCCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1317560391 KTMDCHCKZLTCIW-UHFFFAOYSA-N 317.393 2.453 10 10 DECE CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC(C)(C)O 1314753373 NZJXQZBQKSPOQK-UHFFFAOYSA-N 316.405 2.268 10 10 DECE CCN1CC[C@@H](N(C)c2ccc(CN)cc2Br)C1 688580448 AXWYWEBIHPUWRW-GFCCVEGCSA-N 312.255 2.438 10 10 DECE C[C@@H]1CN(c2ccc(CO)cc2Br)C[C@]1(C)CO 694645562 GCZSKWDUDOSZCP-QMTHXVAHSA-N 314.223 2.396 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccncc1Br 1451770104 OYRLVHDEJITHEW-UHFFFAOYSA-N 323.146 2.185 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NN1CCc2ccccc2C1 1469893240 LOKIUBCHGRDARB-SOFGYWHQSA-N 310.353 2.201 10 10 DECE CC(C)[C@@H](O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1468657283 ABXIHFLYZGERNK-OAHLLOKOSA-N 310.357 2.352 10 10 DECE C[C@H](CCN(C)C)C(=O)NCCCSc1nccs1 1628326098 QGMNUSRJYSVHNU-LLVKDONJSA-N 301.481 2.329 10 10 DECE O=C(CCN1CC[C@H](F)C1)NCCCSc1nccs1 1628326123 QZMLNWPUFBPBPT-NSHDSACASA-N 317.455 2.175 10 10 DECE CCNc1nc(C)c(C(=O)NCc2cc(O)ccc2O)s1 1644753504 AZPLQNYQFXCYOW-UHFFFAOYSA-N 307.375 2.225 10 10 DECE Cc1n[nH]c(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 152983307 DGBNPRCQPBSJIR-QMMMGPOBSA-N 304.350 2.190 10 10 DECE CCOc1cccc(CNCC(=O)Nc2cc(C)ccn2)c1O 1857856807 RTAPCRXANCZLEK-UHFFFAOYSA-N 315.373 2.223 10 10 DECE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1904867718 ITQWHAWRHKLRNN-HUUCEWRRSA-N 323.437 2.292 10 10 DECE CCN[C@@H](c1ccccc1O)[C@@H](O)CCNC(=O)OC(C)(C)C 1921961195 PFOKZMNOUKDFBM-GJZGRUSLSA-N 324.421 2.319 10 10 DECE NC[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1Br 1923572439 FIDXEIRKZCMGGA-IUCAKERBSA-N 303.175 2.026 10 10 DECE Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1Cl 230817240 MIGZNYGPMUCIQF-UHFFFAOYSA-N 322.173 2.233 10 10 DECE CN[C@@H](C)c1ccc(N2CCN(C)CC2)cc1Br 234451895 JBRPNOZQXMNTRG-NSHDSACASA-N 312.255 2.481 10 10 DECE C[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 309967820 GNISAAJHKAPXPI-BBRMVZONSA-N 317.393 2.394 10 10 DECE O=C(NCc1cc(Cl)ccc1O)C1(Cc2cnn[nH]2)CCC1 2064151713 HGVDAMTZWHIMKX-UHFFFAOYSA-N 320.780 2.193 10 10 DECE CCN1C[C@@H]2C[C@H]1CN2c1ccc(CO)c(Br)c1 2067411043 SBTYRZVHRLGWAN-STQMWFEESA-N 311.223 2.224 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]3CO)cc1Br 2082886828 DLDHCOGAPNLLQQ-KZOHCQCBSA-N 312.207 2.319 10 10 DECE COc1ccc(N2C[C@H](O)[C@H]2C)c(OC)c1Br 2214057958 QSOQSSMWODEKBA-APPZFPTMSA-N 302.168 2.036 10 10 DECE N=C(NO)c1cnc(Sc2ccc3c(c2)OCCO3)s1 2296265432 XJUYJUXIRHNTRV-UHFFFAOYSA-N 309.372 2.370 10 10 DECE CN(C)c1ccc([C@H](N)c2cscc2S(C)(=O)=O)cc1 2288513841 PJOUJMWQBVSOQE-AWEZNQCLSA-N 310.444 2.266 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 2307986293 LJKRUVICIYRHGI-XJKSGUPXSA-N 303.358 2.281 10 10 DECE Cc1ccc(CNCC2(CO)CC2)c(O)c1Br 2307474168 KJZRWHRJORFECQ-UHFFFAOYSA-N 300.196 2.325 10 10 DECE Cc1ccc(CN2C[C@@H](O)[C@H](C)C2)c(O)c1Br 2307478617 ZKFHGRHTUJPOGP-MWLCHTKSSA-N 300.196 2.276 10 10 DECE CSc1ncc(CN[C@@]2(C(=O)O)CS[C@H](C)C2)s1 2322264714 BJRYBWYGCLTVQK-RDDDGLTNSA-N 304.462 2.303 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@](Sc2nccs2)(C(=O)O)C1 2351992915 VWQNBLCHUDLMDG-GZMMTYOYSA-N 321.445 2.046 10 10 DECE COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 112966767 GBSIMIFGVNQLQV-FVOPLDGLSA-N 306.318 2.006 10 10 DECE CCN(CC)[C@H](C)CNCc1ccc(N2CCOCC2)cc1 69675284 ZQXMXYUYJZVWAV-MRXNPFEDSA-N 305.466 2.343 10 10 DECE Oc1ccc(Br)cc1CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 249554111 LODAUDMOXQNERD-AOZIVVCUSA-N 324.218 2.356 10 10 DECE Oc1ccc(F)cc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O 282968915 IJOLIASOYCXKAD-MLGOLLRUSA-N 309.381 2.189 10 10 DECE CCOCc1nc([C@H](C)NCc2ccc3c(c2)CCO3)no1 291018262 XOQIOSZLCNQYRZ-NSHDSACASA-N 303.362 2.392 10 10 DECE CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C 290915809 JEQLMJOIHULKMW-OLZOCXBDSA-N 305.422 2.292 10 10 DECE COc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1O 575289160 ZERHGTKVLLSXRX-LLVKDONJSA-N 304.312 2.300 10 10 DECE C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1c(F)ccc(O)c1O 825763693 BNNJXKGMBJJJRI-PHIMTYICSA-N 310.369 2.230 10 10 DECE Cc1cc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c(Cl)c1 827001406 VTUNJJBFIVAEBJ-NSHDSACASA-N 310.781 2.381 10 10 DECE CN(C)c1ccc(/C=C/CNCCN2CCCOCC2)cc1 835054143 RIYKORWGFZTZLA-HWKANZROSA-N 303.450 2.078 10 10 DECE O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(O)cs1 732287231 RMVBCDLHZUJYMG-SECBINFHSA-N 323.399 2.154 10 10 DECE Cc1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 917140386 QTDRDXGICDLEFN-UHFFFAOYSA-N 316.380 2.051 10 10 DECE CCOc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)c(O)c1 843414940 HCZFIIGMWDXHJK-CQSZACIVSA-N 314.389 2.267 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 848576259 LFQLUIVTWHGVMA-REMYHPOOSA-N 315.417 2.339 10 10 DECE COc1ccc(O)c(CNC(=O)c2nc3c(s2)CCC3)c1 841405088 KFXVJFGIEJQFIY-UHFFFAOYSA-N 304.371 2.276 10 10 DECE Cc1c(C(=O)NCc2cc(Cl)ccc2O)nnn1C(C)C 846477998 XFMLVUVXOYYXFD-UHFFFAOYSA-N 308.769 2.456 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@H]1CCNC12CCCC2 843129723 YSNDZOVFYJJLKG-SFHVURJKSA-N 315.461 2.288 10 10 DECE C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1=O 922053002 ZTSODOHFAABRKY-QWHCGFSZSA-N 303.406 2.434 10 10 DECE COc1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1C 858327619 VKUZGRLIMCJKPT-HIFRSBDPSA-N 303.362 2.315 10 10 DECE CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 854301348 NUHWWBDDMZJHPF-CYBMUJFWSA-N 303.406 2.468 10 10 DECE COc1cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c(O)cc1C 853602217 KHWIWPMPUHIURV-CQSZACIVSA-N 320.433 2.446 10 10 DECE C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 773367570 LMDTYMYOCXRGOL-CJNGLKHVSA-N 304.438 2.207 10 10 DECE O=C(O)C1(NCc2cc(Cl)cc(Cl)c2O)CCOCC1 789901577 ANYRSEYUAZVJIY-UHFFFAOYSA-N 320.172 2.422 10 10 DECE CC1(C)COC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 894202556 JZENXWVMIRKWAM-QGZVFWFLSA-N 322.424 2.301 10 10 DECE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NCCCN=[N+]=[N-])C1 1957250305 PIQRVLLSNLJMDA-CHNSCGDPSA-N 317.415 2.452 10 10 DECE COc1cccc(CNC(=O)c2cnc3cnccc3c2)c1O 798980050 CCUVERYNMPJCHL-UHFFFAOYSA-N 309.325 2.274 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)[C@H](O)C1 1961758114 VSRHYXGEFNUTAH-ZIAGYGMSSA-N 307.394 2.051 10 10 DECE CO[C@@H]1CCN(CCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962287957 PBNFYUMTIWWGNG-NWDGAFQWSA-N 313.402 2.301 10 10 DECE Oc1c(F)cc(Br)cc1CNCCCN1CCC1 715816499 BBFAQSYKTUGSDF-UHFFFAOYSA-N 317.202 2.479 10 10 DECE O=C(NCc1ccc(-c2nnco2)cc1)c1cc(O)cs1 1297440961 XUQHNSYDBNADSA-UHFFFAOYSA-N 301.327 2.434 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@H](c2ccccc2)C1 1299399565 UNTFYCRZZZLJBB-DYLHUKMJSA-N 324.380 2.284 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)/C=C\[C@H]2COC(C)(C)O2)c1 1294938362 ZFVAUXIOXZYSPV-APPLLFRUSA-N 321.373 2.286 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ncc(-c2ccccc2)[nH]1 1542266758 QVTVSUPIMFKQTJ-UHFFFAOYSA-N 323.352 2.347 10 10 DECE COc1cncc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1629430411 DUEQGDVDZATNSO-UHFFFAOYSA-N 317.326 2.363 10 10 DECE CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1629038411 ISAYZLXLMZXTHX-BMIGLBTASA-N 306.366 2.376 10 10 DECE O=C(NCCc1ccc2c[nH]nc2c1)c1c(F)ccc(O)c1O 1651015111 WHJPOWODMLRMIP-UHFFFAOYSA-N 315.304 2.086 10 10 DECE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)CC2CC(F)C2)C1 1912168450 DMBKJFVCSKMQFW-VOMCLLRMSA-N 304.391 2.477 10 10 DECE COc1ccc(C(=O)NCc2cccc(O)c2O)cc1OC 1593734959 UWMQWINYRMALSV-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CN(C)c1cccc(NS(=O)(=O)c2cccc(CN)c2)c1 161146237 HUTIEKAZNDDBPL-UHFFFAOYSA-N 305.403 2.012 10 10 DECE CN(C)c1ccc([C@@H](CN2CC[C@H](N)C2)N2CCCCC2)cc1 36091791 FDTIZLVKLNSBRS-PKOBYXMFSA-N 316.493 2.313 10 10 DECE NCc1cc(F)c(N2CC[C@@]23CCOC3)cc1Br 1915803433 RRTIETVLZSITFJ-ZDUSSCGKSA-N 315.186 2.416 10 10 DECE C[C@H](NCC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1O 1938385144 NJWGLDRCULVHAC-LBPRGKRZSA-N 322.405 2.337 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1 1985101818 YGNUVICULNNSRK-LLVKDONJSA-N 323.397 2.450 10 10 DECE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccccc1O 1991544526 VDIRFIRGZBFCCZ-VBQJREDUSA-N 322.405 2.152 10 10 DECE Cn1cnc(CCNCc2ccccc2O)c1Br 2027982161 QKVXWPXRLDAVRS-UHFFFAOYSA-N 310.195 2.221 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C(CO)[C@@H]3C2)c(Br)c1 2030275911 UTBRGLRHVLSZEH-JMJZKYOTSA-N 311.223 2.143 10 10 DECE CCCN[C@@H](C)c1ccc(N(C)C(CO)CO)c(Cl)c1 313467285 FKOPGDLDIRALAL-NSHDSACASA-N 300.830 2.190 10 10 DECE Cc1cccc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1O 722501994 UYEGCIZWEYDKGJ-ZDUSSCGKSA-N 308.378 2.341 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H]1CCC[C@H]1F 2175511866 GFXKKYFNQHDAFI-ZIAGYGMSSA-N 300.399 2.311 10 10 DECE CSc1ncc(CNCc2csc(CCN)n2)s1 2257130823 IOFAKEQTGNVZEZ-UHFFFAOYSA-N 300.478 2.113 10 10 DECE CN1CCc2cc([C@H](CNC(=O)C3CC3)N3CCCC3)ccc21 8963280 OSLFOSSNWNAEKG-SFHVURJKSA-N 313.445 2.342 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2ncon2)cc1Br 2042310348 LIRMBCZTKCWDPG-MRVPVSSYSA-N 311.183 2.488 10 10 DECE CNCc1ccc(N2C[C@H]3CCO[C@H]3C2)cc1Br 2051989021 GJMSNRCPOVKZCU-RISCZKNCSA-N 311.223 2.394 10 10 DECE CNc1nc[nH]c(=NCc2ccccc2O)c1Br 2053438303 GWCRRUHNWDGYGO-UHFFFAOYSA-N 309.167 2.020 10 10 DECE COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1 2210896998 GYKRFUMGJPWZIS-KBPBESRZSA-N 322.405 2.160 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NCc2cccc(O)c2O)C1 2212423386 IWKHJCVUOWBNHP-PXAZEXFGSA-N 320.389 2.197 10 10 DECE CO[C@@H]1CC[C@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2230977698 ZRZFGCXZFHACJA-QPUJVOFHSA-N 305.783 2.212 10 10 DECE CSc1ncc(CN=c2[nH]c(=N)[nH]c3ccccc23)s1 2284714439 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CO[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CC1 804735282 STWPVIYKGRMPAG-GFCCVEGCSA-N 314.179 2.196 10 10 DECE C[C@@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccc(N(C)C)cc1 812901980 CHENSQZQXOMWKF-IUODEOHRSA-N 305.422 2.368 10 10 DECE COC[C@](C)(CC(=O)OC)NC/C=C/c1ccc(N(C)C)cc1 835048634 WVWGSJJXOGAHLZ-DKFQHHCZSA-N 320.433 2.324 10 10 DECE CC[C@@](C)(CO)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 847392678 AFYPWXKTSKNZCI-KDOFPFPSSA-N 320.433 2.109 10 10 DECE O=C(NCCCSc1nccs1)[C@@H]1CC[C@H](C2CC2)N1 846671477 UFNURZLCXWKTME-NEPJUHHUSA-N 311.476 2.272 10 10 DECE CN(C)c1cc(F)c(CNCCOC2CCOCC2)cc1F 922927974 CMSSWYOJYGYGFM-UHFFFAOYSA-N 314.376 2.316 10 10 DECE CN(C)[C@H](CCNC(=O)Nc1ccc(N)cc1)C(F)(F)F 926140939 CJLJVQMMUMAQKZ-LLVKDONJSA-N 304.316 2.273 10 10 DECE Cc1ccc([C@H](C)NC[C@H]2CC3(CCNCC3)C(=O)O2)c(O)c1 925855593 KYNGIUOJPIWINR-UONOGXRCSA-N 318.417 2.037 10 10 DECE C[C@H](NC[C@@H]1COCCN1C)c1cccc(C(F)(F)F)c1O 858523516 RFMDEDJXEFNOJG-WDEREUQCSA-N 318.339 2.392 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1nccn1C 852689104 SDUBLXWUNYEPLA-CYBMUJFWSA-N 315.421 2.355 10 10 DECE O=C(OCc1cn(-c2ccccc2)nn1)c1cccc(O)c1O 758571293 CPXJLBMSMMUZHQ-UHFFFAOYSA-N 311.297 2.036 10 10 DECE CC(=O)c1cc(F)cc(CN2CCCCCNC(=O)CC2)c1O 934158682 UWWFVMZTMIJPPY-UHFFFAOYSA-N 322.380 2.226 10 10 DECE COc1ccc(N2CCC(N[C@H]3CCCN(C)C3)CC2)cc1 765281704 RKCWUZNSXPMEFS-INIZCTEOSA-N 303.450 2.348 10 10 DECE C[C@H](NCCOCCCN)c1cc(Br)ccc1O 863545789 HMPITFRKCUURTB-JTQLQIEISA-N 317.227 2.171 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@@H]2CCOC2=O)c1 872114022 SURLAGLOQUAFAX-VXGBXAGGSA-N 321.373 2.173 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)CCC12CC(CN1)C2 870856086 QVCDATHTMPYAKU-UHFFFAOYSA-N 301.434 2.243 10 10 DECE C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1F 778235848 JBXNBKZWEPDQAN-WMLDXEAASA-N 321.440 2.391 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2COCC[C@@H]21 779527125 IAMCRXZNMPYERF-HXINVUTJSA-N 303.358 2.139 10 10 DECE C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O 1896039685 RODWQUUONBPFCG-NJZAAPMLSA-N 322.405 2.023 10 10 DECE N[C@@H]1CC(C(=O)N(Cc2ccccc2)c2ccccc2)=C[C@@H]1O 1896289045 REXLGTZNXRGTFI-MSOLQXFVSA-N 308.381 2.238 10 10 DECE [N-]=[N+]=NCCCCN1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 1962287787 NDTXDWOCVOOMLP-UWVGGRQHSA-N 305.304 2.314 10 10 DECE COc1ccc(Br)c(CN[C@H]2C[C@@H](OC)C2)c1O 1964076869 KCFWNCLTGUSTOM-DTORHVGOSA-N 316.195 2.430 10 10 DECE COCC1(CNCc2ccc(N3CCN(C)CC3)c(F)c2)CC1 1326807544 POFLPSJLCKZWAJ-UHFFFAOYSA-N 321.440 2.094 10 10 DECE CCN(CCC(=O)O)Cc1c(O)cccc1Br 706626947 LRVFBZSVRYSOQU-UHFFFAOYSA-N 302.168 2.451 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 61695835 GDSBPCMWXIATFC-ZYHUDNBSSA-N 316.854 2.244 10 10 DECE C[C@H](O)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(Cl)c1 694174000 UYCNXWQUGNCTPE-JTQLQIEISA-N 317.838 2.407 10 10 DECE c1cnc([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)cn1 1198166034 XUTWRRUCDBAOFV-QGZVFWFLSA-N 324.428 2.303 10 10 DECE O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(O)c1O 1263895952 KWVBWIDPQOFVMN-GXSJLCMTSA-N 319.279 2.214 10 10 DECE CCNCc1ccc(N2CC[S@@](=O)[C@@H](C)C2)cc1Cl 2115328614 LBTUNOBPPMIDTO-JEOXALJRSA-N 300.855 2.407 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3cnccn3)C2)cc1 1456220612 TZFLSLYSUCPOPA-GFCCVEGCSA-N 324.344 2.269 10 10 DECE C[C@@H](CNCC1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1714876635 IWOJBXHWJLDHEW-NSHDSACASA-N 317.393 2.309 10 10 DECE C[C@H](NC(=O)COc1ccc(CO)cc1)c1ccccc1O 1643745306 KTCCZADESGTYNZ-LBPRGKRZSA-N 301.342 2.141 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@H](N2CCC(CN=[N+]=[N-])CC2)C1 1912190138 ZNMLXOKZOQLUNG-STQMWFEESA-N 300.428 2.365 10 10 DECE COCCN1[C@H](C)CN(Cc2cc(OC)c(C)cc2O)C[C@H]1C 160477284 UYMTXXNWKKQLDV-HUUCEWRRSA-N 322.449 2.250 10 10 DECE CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCN1CCOC 164343112 NNOYIWDUBLVVTA-INIZCTEOSA-N 322.449 2.252 10 10 DECE Nc1ccc(OCCN2CCC[C@H](NC(=O)C3CCC3)C2)cc1 586067545 PDJWYOAQKFIKKS-INIZCTEOSA-N 317.433 2.028 10 10 DECE CO[C@H](CNCc1ccc(C)cc1O)CNC(=O)OC(C)(C)C 1901482139 GKHWXINOWNDAAF-CQSZACIVSA-N 324.421 2.330 10 10 DECE CCN(c1cc(Br)c(CN)cc1F)C1COC1 1915694147 BIUXGTGONVKPSL-UHFFFAOYSA-N 303.175 2.272 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@](C(=O)O)(c2ccc(O)c(O)c2)C1 1951733370 KCGZBIIXSJNPPS-INIZCTEOSA-N 323.345 2.061 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1NCC[C@@H]1C(=O)O 1953058561 KXEKZGANKDITTE-ZANVPECISA-N 322.361 2.474 10 10 DECE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1 1977929084 HOVKVDPUFXIWCT-UHFFFAOYSA-N 321.421 2.137 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NCc1ccc(O)c(O)c1 1986710079 RZNYCNMCFZSWJX-CHWSQXEVSA-N 322.405 2.491 10 10 DECE Nc1ccc(O)c(CNS(=O)(=O)c2ccccc2Cl)c1 36742783 BJCSRVQZQGWPLA-UHFFFAOYSA-N 312.778 2.106 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H]1CNCc1cccc(O)c1O 1992540350 NRFUDJXDNZYPFC-ZDUSSCGKSA-N 320.389 2.363 10 10 DECE Cc1ccc(Br)cc1[C@H](NCCN=[N+]=[N-])C(N)=O 2037365512 SAWGHLPAWMERMW-JTQLQIEISA-N 312.171 2.184 10 10 DECE NNc1nc(Sc2nccs2)nc(-c2ccccc2)n1 2182025439 SZVSILGASXSXCH-UHFFFAOYSA-N 302.388 2.432 10 10 DECE C[C@H](N)c1ccc(N(C)Cc2ncon2)cc1Br 2042310349 LIRMBCZTKCWDPG-QMMMGPOBSA-N 311.183 2.488 10 10 DECE C[C@@H](N)c1ccc(N2CC([C@@H](F)CO)C2)cc1Br 2048049642 VYHMPYVJFHWRTL-OQPBUACISA-N 317.202 2.235 10 10 DECE NCc1ccc(N2C[C@@H]3CC[C@H](C2)C3O)cc1Br 2048832122 JTGKHIOLRKCREG-BVUQATHDSA-N 311.223 2.115 10 10 DECE O=C(CN1CCC(=CBr)C1)c1ccc(O)c(O)c1 2052243592 QKDHECNGGNJZGE-UHFFFAOYSA-N 312.163 2.265 10 10 DECE CCNCc1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2071565781 SODQCZSGDXBYRB-UHFFFAOYSA-N 314.183 2.024 10 10 DECE CS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Cl)cc1O 2094882608 LDXQIERBPGQDFL-LBPRGKRZSA-N 303.811 2.055 10 10 DECE CCCS(=O)(=O)C[C@@H](C)NCc1c(O)cccc1Cl 2114181018 UPMIOKJJTZHYCT-SNVBAGLBSA-N 305.827 2.349 10 10 DECE CS[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@H]1N(C)C 2114276939 KRNSBQITNQTUHB-ZIAGYGMSSA-N 300.855 2.314 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3ccccc32)c1 491684052 CKUAYECHKWVRFR-SREVYHEPSA-N 307.353 2.044 10 10 DECE Cc1cc(C(=O)O)cc(S(=O)(=O)N=[N+]=[N-])c1Br 310244335 UKFXGRJZWGUDFH-UHFFFAOYSA-N 320.124 2.455 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCCS(=O)(=O)C1 69143124 RTBJFXXQZBKUOP-JHJVBQTASA-N 309.431 2.416 10 10 DECE COc1ccc(O)c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 180779599 NLCVOJLUEKINDK-HLLBOEOZSA-N 307.390 2.169 10 10 DECE C[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(N2CCC(O)CC2)cc1 184297564 AJOOIOQTQXLBJU-ALLJEULLSA-N 324.490 2.065 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C[C@H]2CC[C@H]1O2 191738486 XEQPMADQFYZMRN-ISTRZQFTSA-N 316.401 2.390 10 10 DECE COc1ccc(N=Nc2c(N)nn3c(N)c(C#N)cnc23)cc1 254394392 RMQWGQKFEWOCCM-UHFFFAOYSA-N 308.305 2.189 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CCC(C)(C)O3)CC2)cc1 278333306 VGXWOMVOHFUKCQ-MRXNPFEDSA-N 318.417 2.301 10 10 DECE Cc1cccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c1O 282980930 JIIYOTOFKQGYHD-WBVHZDCISA-N 305.418 2.358 10 10 DECE CCOc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c(O)c1 809687126 UJWIINWUILMSON-KRWDZBQOSA-N 307.390 2.172 10 10 DECE Cc1cnc(Cl)c(/C=C2/SC(N3CCOCC3)=NC2=O)c1 901444600 YXLZZRKFFZTMDP-YRNVUSSQSA-N 323.805 2.346 10 10 DECE CN(C)c1ccc(/C=C\CNCC2(S(C)(=O)=O)CCC2)cc1 835055188 WNDVXNPMWPEWRP-XQRVVYSFSA-N 322.474 2.323 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 588407408 BMJRSESKYKNLRW-OTKDDWONSA-N 303.358 2.185 10 10 DECE C[C@@]1(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCNC1 843114862 IOGMYOAMEVMOJH-FUHWJXTLSA-N 304.434 2.373 10 10 DECE C[C@]1(CN(Cc2ccccc2O)C[C@H]2CCCO2)CCNC1 843114861 IOGMYOAMEVMOJH-AEFFLSMTSA-N 304.434 2.373 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1COCCC1=O 862932641 QEBZDPHYXHJYRL-GFCCVEGCSA-N 318.398 2.243 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]12CCC[C@H]1OCC2 867302860 UWZCECATJFITME-JGFGOQIWSA-N 305.374 2.104 10 10 DECE CCN(Cc1cn(C)nn1)Cc1cc2c(cc1O)CCCC2 781578001 FWGSGJDXKJQYFU-UHFFFAOYSA-N 300.406 2.422 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N(C)[C@@H]1CCS(=O)(=O)C1 132414396 MJELBBVVDZXIQQ-MWLCHTKSSA-N 303.811 2.226 10 10 DECE COc1cccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 797820404 WFVKBISZESIFHP-UHFFFAOYSA-N 309.343 2.210 10 10 DECE CNC(=O)NC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 1175362223 SJFLQWPOCSASTI-INIZCTEOSA-N 318.465 2.345 10 10 DECE C[C@H](OCc1ccccc1)C(=O)NCc1c(O)cccc1O 1178910191 AURNRRLTFNWUAL-LBPRGKRZSA-N 301.342 2.319 10 10 DECE CCOCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 213410771 MSMKBAJNIHKTRH-UHFFFAOYSA-N 314.190 2.477 10 10 DECE Cc1c[nH]cc(C(=O)NCc2c(O)ccc3c2CCCC3)c1=O 1182832698 PHGVNLAYIMIRAI-UHFFFAOYSA-N 312.369 2.198 10 10 DECE C[C@@H]1CN(c2ccc(CO)cc2Br)C[C@@]1(C)CO 694645563 GCZSKWDUDOSZCP-YGRLFVJLSA-N 314.223 2.396 10 10 DECE O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1cccc(O)c1O 1263895878 IWFBQMDTEGRPFB-ZDUSSCGKSA-N 305.374 2.453 10 10 DECE Cc1nnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)o1 1354604125 ONPUTTXTCKKEME-GFCCVEGCSA-N 302.378 2.065 10 10 DECE CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc2cc[nH]c2c1 1623424402 YCPAOGXBVZQJQB-UHFFFAOYSA-N 306.325 2.334 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1c(F)ccnc1Cl 1622753154 JCYUNZCAVSWBDK-UHFFFAOYSA-N 310.712 2.258 10 10 DECE COCc1nocc1C(=O)NCc1ccc2cccnc2c1O 1557123584 RDTYQJYZAXRWHD-UHFFFAOYSA-N 313.313 2.005 10 10 DECE CC(=O)N[C@H](C(=O)NCc1c(O)ccc2ccccc12)C(C)C 1647788575 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10 DECE COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(O)c1O 1162573902 FBGRRCTUOCBRRV-UHFFFAOYSA-N 313.309 2.087 10 10 DECE Oc1cccc(Br)c1CN1CC[C@@]2(CCNC2)C1 706871565 JGWHJKCZZYZGMI-CQSZACIVSA-N 311.223 2.340 10 10 DECE C[C@@H](O)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Cl)c1 694133288 SEDYPSZPYGTWOH-PWSUYJOCSA-N 317.838 2.407 10 10 DECE CCC1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 697484477 HMTHIQYVROGTBB-GFCCVEGCSA-N 310.195 2.247 10 10 DECE NC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccncc2)S1 208337889 MKEUVONIJGACKG-UKTHLTGXSA-N 324.365 2.263 10 10 DECE CCC(CC)[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1545514669 HMYLGPRGHBIOKD-CYBMUJFWSA-N 306.366 2.376 10 10 DECE CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1482263094 VGBRFXCUVAGFCF-GJZGRUSLSA-N 322.449 2.365 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CC1)[C@H]1CCCCO1 1628113836 RLHLTTUCXCGUKP-NVXWUHKLSA-N 305.374 2.104 10 10 DECE CS(C)(=O)=Nc1ccc(NC(=O)C2=S=CC(O)=C2)cc1 1628804985 DPPCKVXTCHJMIS-UHFFFAOYSA-N 310.400 2.148 10 10 DECE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CCO)c1ccccc1 1635946986 OPRPDJZSDJSQEM-OAHLLOKOSA-N 315.369 2.222 10 10 DECE CN(C)c1cccc(CCC(=O)NCc2c(O)cccc2O)c1 1647270412 RJYVZIHYGHJEAO-UHFFFAOYSA-N 314.385 2.413 10 10 DECE O=C(NCc1cccc(O)c1O)c1cc2nccnc2cc1F 1643812372 HQDGYZVNDIZMMH-UHFFFAOYSA-N 313.288 2.110 10 10 DECE C[C@H]1C[C@H]2CN(c3ccc(CN)c(Br)c3)CCN2C1 2124850120 FHMZDUGKOVIRJG-FZMZJTMJSA-N 324.266 2.438 10 10 DECE COC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1597568605 HLPUFUJEMAWOKA-UHFFFAOYSA-N 316.313 2.206 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2oncc2C)cc1C 1690635447 NVQDQMMHPUHJDY-CYBMUJFWSA-N 317.389 2.208 10 10 DECE COc1ccc(N(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1938942745 XCZMTINGSAUMEV-CYBMUJFWSA-N 324.377 2.109 10 10 DECE COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)C(C)=O)cc1 1951489812 GCBCPPNYUVVWKO-ZDUSSCGKSA-N 307.346 2.419 10 10 DECE C[C@@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1 1985105725 SSIFEMADZNESHF-ZYHUDNBSSA-N 323.397 2.401 10 10 DECE 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Cc1ccc(C)n1-c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 368603070 LLOMPIBTAVGGLE-UHFFFAOYSA-N 321.384 2.383 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)c1 762539182 WBDGOXLREPHDJI-SECBINFHSA-N 317.301 2.195 10 10 DECE Cc1ccccc1CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 776434955 SNQUXQOTLGFRQY-UHFFFAOYSA-N 321.354 2.341 10 10 DECE CN(C)c1ccc(/C=C/CN2CCN([C@@H]3CCOC3)CC2)cc1 827126128 WOWKEVQAWRWLAQ-GNAXCBTBSA-N 315.461 2.172 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1cnc2n1CCOC2 830147658 WKOCHRSXGKPUKE-UHFFFAOYSA-N 315.373 2.171 10 10 DECE COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnccc2C)c1 830623309 JTMGSMFQYLDCME-NSHDSACASA-N 322.386 2.144 10 10 DECE CN(C)C(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835025961 PCDXHLJPSNMDJO-WAYWQWQTSA-N 316.449 2.065 10 10 DECE CC1(C)COC[C@@H]1NC(=O)NCCCSc1nccs1 838515186 WRWJKHRGAKNGIL-JTQLQIEISA-N 315.464 2.350 10 10 DECE Cc1cc(O)c(CNCC2CCS(=O)(=O)CC2)c(Cl)c1 840908675 YHDWOGWFLNQJKN-UHFFFAOYSA-N 317.838 2.268 10 10 DECE C[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccc(N(C)C)cc1 841880461 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DECE C[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(O)c(O)c1 1137469224 AFLNIQBZKFBPRK-LLVKDONJSA-N 301.342 2.093 10 10 DECE COc1ccc2c(c1)CCCCN2CC(=O)N=c1cc[nH]cc1 1168244609 QMTTTXNLNZCQLX-UHFFFAOYSA-N 311.385 2.294 10 10 DECE CCN[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1271943175 YNSINSXSJGOBDS-CYBMUJFWSA-N 305.382 2.213 10 10 DECE O=C(NCc1c(O)cccc1F)c1c[nH]c2ccccc2c1=O 1303877438 DDTGOVRWKFZSPC-UHFFFAOYSA-N 312.300 2.303 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(O)c1O 1347542745 QRVRRWVYQGAYJU-NWDGAFQWSA-N 321.373 2.082 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnsn1 1356254835 BJTRSBSDGIUQQO-UHFFFAOYSA-N 302.403 2.411 10 10 DECE Nc1c(C(=O)NCc2cccc(Cl)c2O)cccc1[N+](=O)[O-] 1457036875 NPOSXJXOKXNBQA-UHFFFAOYSA-N 321.720 2.466 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2cccn2)c1 1464185964 FNEQXASGQCWAQP-UHFFFAOYSA-N 309.325 2.465 10 10 DECE CCC(C)(C)[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1622438478 VFGSKKSBXKKQTE-MRXNPFEDSA-N 320.433 2.141 10 10 DECE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c2cnn(C)c2n1 1635794138 XQXMYKKVSSTOCG-LLVKDONJSA-N 310.357 2.473 10 10 DECE COc1ccc(CNC(=O)COc2ccc(F)c(F)c2)c(O)c1 1639458869 KJWFMEKYCBQANF-UHFFFAOYSA-N 323.295 2.374 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccnc(OC(F)F)c1 1643104428 YJGQBVBYNBTPON-UHFFFAOYSA-N 310.256 2.024 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc2c(c1)OCCCO2 1645361135 YEKDLUVTERNXLZ-UHFFFAOYSA-N 315.325 2.189 10 10 DECE CC[C@@H](F)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699660319 SFSKDVWKXYFNFW-CQSZACIVSA-N 308.397 2.490 10 10 DECE CC[C@H](CO)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 1858590317 JNFASWKAVHQAHS-CEXMDJMXSA-N 309.412 2.364 10 10 DECE C[C@H](Oc1ccc(N)cc1)C(=O)Nc1cccc(C(=O)O)c1 1860077712 DJQGSGVQPSJHJU-JTQLQIEISA-N 300.314 2.373 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@]12C[C@H]1CC[C@H]2NC(=O)OC(C)(C)C 1895874602 ASGNQWQYXFPHMN-UEKVPHQBSA-N 323.397 2.449 10 10 DECE NCc1ccc(N2CC[C@H](O)C23CCC3)cc1Br 1914395106 ZGRBQDIUWUHJGD-ZDUSSCGKSA-N 311.223 2.402 10 10 DECE CNC(=O)[C@H](C)N(C)c1ccc([C@@H](C)O)cc1Br 1916781543 TXNCVQYEWOXCOC-DTWKUNHWSA-N 315.211 2.073 10 10 DECE Oc1cccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1939380160 MZSXIXIZBBCPSG-LPHOPBHVSA-N 310.397 2.462 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1CCNC1 1951698495 BSISAKNHKQULOM-QWHCGFSZSA-N 322.405 2.143 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1952970199 KTGCCKKDMFCMOH-AVGNSLFASA-N 322.405 2.128 10 10 DECE OC[C@H]1C[C@@](F)(CNCc2cc(Br)ccc2O)C1 1974381898 TXUQOIAMYSLOTP-GMZHKTEUSA-N 318.186 2.355 10 10 DECE CN(C)c1ccc([C@H](O)C2(NC(=O)OC(C)(C)C)COC2)cc1 1981622026 BFRXFGBLMUGRLJ-AWEZNQCLSA-N 322.405 2.080 10 10 DECE CNCc1ccc(N2C[C@@H]3CCO[C@@H]3C2)c(Br)c1 2051989721 GSZZDQRKKIASEP-SMDDNHRTSA-N 311.223 2.394 10 10 DECE CCNC(=O)c1cnn(Cc2cc(C(F)(F)F)ccc2O)c1 2069939029 UOZOVYUJIMJNSV-UHFFFAOYSA-N 313.279 2.406 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2c[nH]nc2Br)C1 2070694010 WTYANHXGCGBXEO-ZETCQYMHSA-N 313.159 2.335 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N(C)C[C@H]1CCS(=O)(=O)C1 2148786631 HHDQDVJKDNLFGY-WDEREUQCSA-N 317.838 2.473 10 10 DECE C[C@@]1(C(F)F)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2174609608 UFCZMORRZBDJPU-CYBMUJFWSA-N 304.362 2.076 10 10 DECE Cn1nc(Br)c(CN2CCC[C@H](CN=[N+]=[N-])C2)n1 2219812705 FCHHXDVIBRUJPK-MRVPVSSYSA-N 314.191 2.100 10 10 DECE C[C@H]1CN(C)[C@H](C)CN1c1ccc(CO)c(Br)c1 2222182510 VTYYDHWWFXGSLB-MNOVXSKESA-N 313.239 2.470 10 10 DECE Cc1ccc(O)c([C@H](C)NCCCS(=O)(=O)C(F)F)c1 2237644081 NLHCZSLCKIYOAU-JTQLQIEISA-N 307.362 2.379 10 10 DECE COc1ccc(N(C)[C@@H](CN)CN(C)C(=O)OC(C)(C)C)cc1 2244732426 FSDWJZUPWXEWSL-AWEZNQCLSA-N 323.437 2.326 10 10 DECE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccoc1 2293449736 UGUGTEYIZVDUAP-UHFFFAOYSA-N 316.313 2.250 10 10 DECE CN(C)c1ccc(C=Cc2nc(O)nc(O)c2[N+](=O)[O-])cc1 2297367025 GJUODRXSQWUNRG-UHFFFAOYSA-N 302.290 2.032 10 10 DECE CCN[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2327799765 ABGUESFIAVBHLY-VIFPVBQESA-N 315.211 2.077 10 10 DECE Cc1ccc(Cn2cc([C@@H]3CCN3)nn2)c(O)c1Br 2352694250 UOVHGVLKDBDFJL-JTQLQIEISA-N 323.194 2.137 10 10 DECE CN1CCCc2cc([C@@]3(O)C[C@@H]4C[C@H]3CC43OCCO3)ccc21 2354960208 BULPZCISTXAHRP-BQFCYCMXSA-N 315.413 2.430 10 10 DECE CN(Cc1ccc(Cl)cc1O)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361675572 BSENYKOHJJNSAB-CHWSQXEVSA-N 317.838 2.443 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)Cn2nc(C)cc2C)c1 170900880 TWWQSXGLSCOGEZ-GFCCVEGCSA-N 303.362 2.092 10 10 DECE CO[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1OC 300103080 WAXGVRUWOFLNET-STQMWFEESA-N 316.195 2.000 10 10 DECE Cc1cccc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1O 179784858 QKRAFWQTBMSULW-OAHLLOKOSA-N 304.434 2.386 10 10 DECE COCCOc1cccc(NC(=O)Cc2ccc(N)cc2)c1 66153918 MRUYSFAPTJCGPG-UHFFFAOYSA-N 300.358 2.475 10 10 DECE COC(=O)C[C@H](C)NCc1cccc(Br)c1O 305503638 KBKGWUDBYYOSGQ-QMMMGPOBSA-N 302.168 2.196 10 10 DECE COc1ccc(N2CCN(c3cc[nH]c(=S)n3)CC2)cc1 33268032 MHECSJSSWPJJDF-UHFFFAOYSA-N 302.403 2.474 10 10 DECE O=C(Cn1ccnc1)N(Cc1ccco1)Cc1ccccc1O 124490409 JMKACDIOWRVDEU-UHFFFAOYSA-N 311.341 2.411 10 10 DECE CN(Cc1cc(Br)ccc1O)CC1(CO)CC1 188956887 LSRXJVHJGDJLNI-UHFFFAOYSA-N 300.196 2.359 10 10 DECE COc1cccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c1 49968991 ARSOAGQBIOPYSE-UHFFFAOYSA-N 306.387 2.244 10 10 DECE C[C@H]1CN(C2CCN(Cc3ccc(N(C)C)cc3)CC2)CCO1 92078552 XZARVDQRRWBBNN-INIZCTEOSA-N 317.477 2.438 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1CC[C@@H](C)O1 248492847 OTKLYDKJALSGIU-BZPMIXESSA-N 307.390 2.493 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CCCCC[C@H]3CO)c(Cl)cc21 253179156 SBZDAIPXAIYLRD-XPTSAGLGSA-N 309.797 2.033 10 10 DECE CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)O)cc1F 265217892 WLPJTQVODGPCCL-GFCCVEGCSA-N 311.401 2.242 10 10 DECE C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 805864807 YLIOYLIWAAJGQQ-RHSMWYFYSA-N 317.433 2.463 10 10 DECE CCCN(C)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588406849 WHLAUNKWBOGAGV-ZQMJAJRESA-N 318.417 2.301 10 10 DECE O=C1N(c2ccccc2)[C@@H](c2cc3c(cc2O)OCO3)NC12CC2 840829539 AWGPFSWZRYUZIZ-INIZCTEOSA-N 324.336 2.289 10 10 DECE CCOc1ccc(O)c(CN2CCNC[C@H]2c2cccnc2)c1 843118284 XLZCIDHWFVFUBM-KRWDZBQOSA-N 313.401 2.332 10 10 DECE C[C@]12COC[C@H]1CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C2 849348924 VZXXBNQJCZFNLQ-OXUOGIBSSA-N 318.329 2.165 10 10 DECE COCCN(CCF)C(=O)NCc1ccc(N2CCCC2)cc1 851987430 NQWWLSFQZPCCIQ-UHFFFAOYSA-N 323.412 2.414 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2ncn(C(C)(C)C)n2)c1 753001496 XDLJQBAUQGBPFC-UHFFFAOYSA-N 319.365 2.069 10 10 DECE Cn1ncc2c1CC(C)(C)CN(C(=O)c1cc(O)cs1)C2 852984425 PJELDNVKZRRJLE-UHFFFAOYSA-N 305.403 2.412 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H](C)Cn3cccn3)C2)cc1 850488593 NNRDGDUGNPKIHU-LSDHHAIUSA-N 300.406 2.149 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CC3)C2)cc1 852167955 IWVXPJWTHSAIDH-ZDUSSCGKSA-N 303.406 2.373 10 10 DECE CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1C 867834032 JXAXLVKWCAEVJD-JTQLQIEISA-N 323.418 2.265 10 10 DECE COC(=O)c1cc(C(=O)COc2ccc(N(C)C)cc2)c(C)[nH]1 871744845 BWGHDBCYXJAHLH-UHFFFAOYSA-N 316.357 2.437 10 10 DECE CC[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 870165666 ITTNJGMOLMMCPY-UKRRQHHQSA-N 318.417 2.399 10 10 DECE O=C(NCCc1nc2ccccc2o1)c1c(F)ccc(O)c1O 1161431980 SIUUVRLOFWXTJI-UHFFFAOYSA-N 316.288 2.351 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cccc([S@@](C)=O)c2)c1 1161661999 IGESWFZKZADEBK-OAQYLSRUSA-N 303.383 2.368 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccccc2C)c1 1280344099 ITCCPRYESNWDBX-HJWRWDBZSA-N 309.369 2.426 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2nccs2)C1 1455218918 CRPVQSMXRAGVLG-LLVKDONJSA-N 304.371 2.113 10 10 DECE CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1(C)C 1465349529 VUYJZSZWIPAVKH-CABCVRRESA-N 307.390 2.302 10 10 DECE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCOC(C)(C)C1 1468600874 VIQQRJVDZBETSG-ZDUSSCGKSA-N 307.390 2.446 10 10 DECE Nc1nc(Cl)c(N)c(NCc2c(O)ccc3c2CCCC3)n1 1612035655 GWKROGDFINUXJT-UHFFFAOYSA-N 319.796 2.491 10 10 DECE COc1cccc(CNC(=O)c2cc(C)cn3ccnc23)c1O 1622779697 SWQAVJDXJSPMSV-UHFFFAOYSA-N 311.341 2.287 10 10 DECE CN1C(=O)CN(C(=O)c2cc(O)cs2)[C@H]1c1ccccc1 1556256993 IASKBCFVWKFPRQ-AWEZNQCLSA-N 302.355 2.067 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccc(Br)nc1 1644754429 WRPTUMAUSPSGIK-UHFFFAOYSA-N 323.146 2.185 10 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300.152 2.194 10 10 DECE O=C1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCN1 54454052 CZHRBWSAGJAYQG-UHFFFAOYSA-N 314.385 2.339 10 10 DECE Nc1ccc(CS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 35309250 OZQRXHNZBGRWPD-UHFFFAOYSA-N 305.355 2.014 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H](C)OC[C@H]1C 127662483 YUVFEUXZHGJUTR-NEPJUHHUSA-N 313.357 2.500 10 10 DECE COC(=O)N1CCC([C@H](C)NCc2ccc(OC)cc2O)CC1 186358670 GLLLQLPVIZVBGH-LBPRGKRZSA-N 322.405 2.357 10 10 DECE O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 70329985 VGJGGDWRZXVXBP-UHFFFAOYSA-N 312.278 2.240 10 10 DECE COc1cc(N(C)C[C@H](O)CC(F)(F)F)cc(OC)c1OC 189398344 PDDZEVBSCJHYPU-SNVBAGLBSA-N 323.311 2.462 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNc2ncn(-c3ccccc3)n2)c1 195048204 GDLVMLGQSFEGQV-UHFFFAOYSA-N 311.301 2.493 10 10 DECE CCOc1cccc(CN2CCN(Cc3ccon3)CC2)c1O 93560957 LPNUGRYMXGHQPD-UHFFFAOYSA-N 317.389 2.097 10 10 DECE CCOCCN1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C 245760084 POKYQQTWPNDXRZ-MRXNPFEDSA-N 305.466 2.295 10 10 DECE COc1ccc(N2CCN(C(=O)[C@]3(C)CCCOC3)CC2)cc1 272596972 DMTHMPKGXIRDLJ-GOSISDBHSA-N 318.417 2.161 10 10 DECE CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(C)ccc1O 373582853 IDLIJLGTFMCUQF-GJZGRUSLSA-N 307.390 2.243 10 10 DECE Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)nnn1C(C)C 292132410 GWGNVZIELUJVLO-UHFFFAOYSA-N 319.384 2.303 10 10 DECE CCn1cc(C(=O)NCc2cc(Br)ccc2O)cn1 804736695 ZFRJWBBIGUUZMN-UHFFFAOYSA-N 324.178 2.301 10 10 DECE CCOc1ccc(CNC[C@@H](CO)c2cccnc2)c(O)c1 808430449 GOMRTRJIGMVZOD-HNNXBMFYSA-N 302.374 2.052 10 10 DECE O=C(O)[C@@H]1CC[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 712803688 CEICDSMXRCUMIY-VXNVDRBHSA-N 319.766 2.041 10 10 DECE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(O)cs1)C2 822376587 WMVWQMXGDQZXFX-UMNHJUIQSA-N 324.402 2.050 10 10 DECE Cc1cc(Cl)cc(CN2CCC(N3CC[C@@H](O)C3)CC2)c1O 827698903 CRTMGQQKEGBGTP-MRXNPFEDSA-N 324.852 2.385 10 10 DECE Cn1cc(N2CCC[C@@H](N[C@H]3CCc4cccc(O)c43)C2)cn1 834602026 HMWDMOMTYMCKCB-ZBFHGGJFSA-N 312.417 2.372 10 10 DECE O=C(NCCCCn1ccnc1)NCc1c(O)cccc1F 914308769 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Cc1nsc(C(=O)NCc2ccc(N3CC=CC3)cc2)n1 794738655 GANGPARLRRDZBQ-UHFFFAOYSA-N 300.387 2.153 10 10 DECE COC(=O)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1149320735 HTYFSQWIDBMNNV-GFCCVEGCSA-N 318.333 2.017 10 10 DECE CN1C[C@@H]2CN(c3ccc(CN)c(Br)c3)C[C@@]2(C)C1 702278992 JUANBNPZTQNUPZ-IUODEOHRSA-N 324.266 2.296 10 10 DECE CN(C)C1CC(NCc2cc(Br)cc(F)c2O)C1 715737060 KCOUQXPWJZRZGT-UHFFFAOYSA-N 317.202 2.476 10 10 DECE CNC[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 715765335 GNXUBJAITMPSNG-SECBINFHSA-N 317.202 2.335 10 10 DECE C[C@H](O)c1ccc(N2CC3CC2(CO)C3)cc1Br 694502144 ALFAJZWQTJAOFH-IPWFMCSPSA-N 312.207 2.464 10 10 DECE COc1ccc(CNCCN(C)C(=O)c2ccoc2)cc1C 1267345386 JUBLIOYQJCBWQP-UHFFFAOYSA-N 302.374 2.458 10 10 DECE C/C(=C/C(=O)NCc1ccc(N(C)C)c(F)c1)c1cnccn1 1356250440 GFQADQBYNDQTIV-WQLSENKSSA-N 314.364 2.401 10 10 DECE O=C(NCc1ccc(O)cc1O)c1coc(-c2cccnc2)n1 1557085849 XWBBQGVDLUSTRH-UHFFFAOYSA-N 311.297 2.078 10 10 DECE CCc1nc(CCNC(=O)Cc2ccc(O)c(O)c2)cs1 1627670322 ONXXQFMYMQYGPL-UHFFFAOYSA-N 306.387 2.018 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1nc[nH]c2nccc1-2 1639969150 UJKFUBZWECVPGY-UHFFFAOYSA-N 302.721 2.199 10 10 DECE CCn1nc(C(=O)NCc2c(O)cccc2O)cc1C1CC1 1635850601 PMWFZOZXZBXHCS-UHFFFAOYSA-N 301.346 2.122 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cnc([C@@H](C)O)s2)c1 1631542934 NGKUKOQPBMXOIT-RKDXNWHRSA-N 322.386 2.402 10 10 DECE COc1ccc(CNCCN(C)C(=O)Cc2ccoc2)cc1C 1567486546 TWHWRFUQFPPWQU-UHFFFAOYSA-N 316.401 2.387 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](OC)C(C)C)cc1C 1567050530 BQSCCZPRCDTJBL-PBHICJAKSA-N 322.449 2.269 10 10 DECE O=C(COCc1ccncc1)NCc1cccc(Cl)c1O 1653567244 QOGHKYFTCGHEEI-UHFFFAOYSA-N 306.749 2.274 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCCN(CC[C@H]2CCS(=O)(=O)C2)C1 1912149387 FVDJIMMKBWJOPR-STQMWFEESA-N 300.428 2.224 10 10 DECE C[C@@H]1CCCN(C(=O)CCNCc2ccc(N(C)C)cc2)C1 1857862742 DAGACBLFQWQKHB-OAHLLOKOSA-N 303.450 2.491 10 10 DECE Cc1cc(=O)c(OCCF)cn1CCOc1ccc(N)cc1 1857916640 FSJTYNATXNSXAQ-UHFFFAOYSA-N 306.337 2.166 10 10 DECE CN(C)Cc1cc([C@H](CN)CNC(=O)OC(C)(C)C)ccc1O 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COc1cc(O)c(CNC[C@](C)(O)c2ccc(C)o2)cc1OC 182225861 PAIIMYYDKUDTHD-KRWDZBQOSA-N 321.373 2.308 10 10 DECE CCc1ncc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)[nH]1 70419836 DTRCBIJQJRRLCL-JTQLQIEISA-N 309.391 2.059 10 10 DECE CCCS(=O)(=O)N(C)Nc1nc2ccc(OC)cc2s1 2365321027 OJYWHRIRRFIJPX-UHFFFAOYSA-N 315.420 2.303 10 10 DECE Cc1nn(C)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 189719533 WBFFSWDMBBBMOE-UHFFFAOYSA-N 305.357 2.255 10 10 DECE c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCc2n[nH]cc21 375789019 KCBZTOULLGVGQG-QGZVFWFLSA-N 312.417 2.414 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(CC)n1 293392603 XFWPZDCYYYSHFL-UHFFFAOYSA-N 301.394 2.026 10 10 DECE COc1ccc(CNCc2c(C(F)(F)F)cnn2C)c(O)c1 825752560 DYLAYOYKPKOJMC-UHFFFAOYSA-N 315.295 2.443 10 10 DECE COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCCN32)c(O)c1 907924920 AVYOXEAOJJIVMB-ZFWWWQNUSA-N 304.390 2.034 10 10 DECE Cc1ccncc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 831140308 JBPJRIKCMOWNBN-ZDUSSCGKSA-N 319.430 2.496 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2nccn2C)c1 850571887 DKHJMZIKGMTFSB-MNOVXSKESA-N 303.362 2.324 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 921636772 QARNRMRYSNURPY-VQISRLSMSA-N 320.364 2.288 10 10 DECE CCN(CC)CC[C@H](CO)NCc1ccc2c(c1)CCCO2 922220831 CMJUAUVCBZNJNT-QGZVFWFLSA-N 306.450 2.194 10 10 DECE COc1cc(C)cc(CN2CCC(OCCN(C)C)CC2)c1O 754741895 OEKXMWRAFMBONK-UHFFFAOYSA-N 322.449 2.252 10 10 DECE CC[C@@H](OC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(N)=O 853933823 KASHKKSTFYYYBB-MRXNPFEDSA-N 314.385 2.444 10 10 DECE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(O)cs1 750537506 XBRPXCRGPKAHNS-UHFFFAOYSA-N 319.308 2.478 10 10 DECE CN(Cc1cscn1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761887838 PYBHAVARCZEPGZ-UHFFFAOYSA-N 320.330 2.019 10 10 DECE CN1CCC[C@H]2[C@@H]1CCN2Cc1ccc(N2CCOCC2)cc1 931621997 MVPNFDLYKXGNIG-OALUTQOASA-N 315.461 2.192 10 10 DECE CCN(C)c1ccc(CN2CCN(C(=O)C(C)C)CC2)cc1 773735038 WUOUKCDVGBYRIP-UHFFFAOYSA-N 303.450 2.443 10 10 DECE CCN(CC)c1ccc(CN[C@H](C)c2nnc(O)n2C)cc1 895183731 KIZZCQFUIMKXFE-GFCCVEGCSA-N 303.410 2.218 10 10 DECE Cc1nn(C)c(C(=O)NCc2ccccc2O)c1Br 1964093085 POOKMSVBKZFXNH-UHFFFAOYSA-N 324.178 2.127 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2O)C1 1964049659 VLJXJJQRPGEXFE-QWHCGFSZSA-N 317.838 2.491 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3cccnc3C2)c1 1263768724 CVNHELCTHXBZCQ-WCQYABFASA-N 312.369 2.388 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1ccc(CO)nc1 1294681849 WOTOVTVHOGOAJN-UHFFFAOYSA-N 300.358 2.332 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccnc(-c2ccccc2)n1 1637129779 ONVLXKORNYUSEO-UHFFFAOYSA-N 321.336 2.485 10 10 DECE Cc1nc[nH]c1CNC(=O)c1cc2cc(O)c(O)cc2s1 1634960199 WFRIWVVZBMWPLT-UHFFFAOYSA-N 303.343 2.274 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1conc1C1CC1 1632681801 VOAAOHYKQWNNHL-SECBINFHSA-N 302.330 2.324 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)C(=O)C(C)(C)C)cc1C 1662184059 GBXPIUDRVSFNDM-CYBMUJFWSA-N 320.433 2.213 10 10 DECE O=C(c1cccc(O)c1O)N(CCCO)Cc1ccccc1 1635761325 UGUFPNAUPPZPEF-UHFFFAOYSA-N 301.342 2.123 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2ccns2)cc1C 1699364161 DSDWMAGFILUOAS-GFCCVEGCSA-N 319.430 2.368 10 10 DECE CN(C)c1ccc([C@H](NC(=O)c2ccc[nH]2)c2nccn2C)cc1 169813462 OLYUARJLXLWERX-INIZCTEOSA-N 323.400 2.334 10 10 DECE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccc(C(=O)O)cc1 1860078906 SIZZRIIBGBYTAU-SNVBAGLBSA-N 300.314 2.373 10 10 DECE CC(C)[C@H](N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865916654 MQGIZZRZIOJODV-INIZCTEOSA-N 322.364 2.384 10 10 DECE C[C@@H](O)c1ccc(N(C)C2CC(O)C2)c(Br)c1 1914575052 OTOCXYPIUAIIIS-MFAVDMRSSA-N 300.196 2.462 10 10 DECE Nc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1F 236349009 BRJPUUBCWBWUGT-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1ccc(O)c(O)c1 1952452687 OHATUVSBFCHVSI-GFCCVEGCSA-N 308.378 2.369 10 10 DECE C[C@@H]1OCCO[C@H]1CNCc1cccc(Br)c1O 2027192683 LYXRLTVNQFJERJ-CABZTGNLSA-N 316.195 2.048 10 10 DECE CNCc1ccc(N(CCO)CC2CC2)cc1Br 688423023 CFSUTKIHZVVZFI-UHFFFAOYSA-N 313.239 2.377 10 10 DECE C[C@@H]1[C@H](Sc2nccs2)CCC[C@@]1(NC1CC1)C(N)=O 2175823982 MNJPSVKZVGKFHB-UDZFHETQSA-N 311.476 2.400 10 10 DECE CCc1cc(C(=O)NC2CC2)n(Cc2c(O)cccc2F)n1 2070092197 UCCWUDYMWBJMIQ-UHFFFAOYSA-N 303.337 2.231 10 10 DECE CCS(=O)(=O)CCN(C)c1ccc([C@@H](C)N)c(Cl)c1 2114060446 WJWJIBMKMIGCGQ-SNVBAGLBSA-N 304.843 2.231 10 10 DECE CN(Cc1ccc(Cl)cc1O)CC1(F)COCCOC1 2187196849 UCAOSVSXQSVXNS-UHFFFAOYSA-N 303.761 2.233 10 10 DECE Oc1ccc(CCN[C@@H]2CCCC3(CC2)OCCO3)cc1O 2094761008 FFPYWURHDXDBPD-CQSZACIVSA-N 307.390 2.306 10 10 DECE Cn1cccc(NCc2cccc(Br)c2O)c1=O 2217982415 ZREAGOIZPCGUPI-UHFFFAOYSA-N 309.163 2.466 10 10 DECE [N-]=[N+]=NCC1(CNC(=O)c2cnc(Br)cn2)CC1 2221597933 YQAZXWDTHJZALC-UHFFFAOYSA-N 311.143 2.059 10 10 DECE CCc1cccc(CNCCCS(=O)(=O)C(F)F)c1O 2237637869 YAJGJKDDRABBKL-UHFFFAOYSA-N 307.362 2.072 10 10 DECE CCOC(=O)[C@@H]1CCCN(N=Nc2ccc(C(N)=O)cc2)C1 2330153204 QEDPIHIFAWQKOX-GFCCVEGCSA-N 304.350 2.059 10 10 DECE C[C@@]1(C(=O)N(c2ccccc2)c2ccc(N)cc2)CNC(=O)C1 170247374 DTQVAOGDJXTMAJ-SFHVURJKSA-N 309.369 2.460 10 10 DECE O=C(O)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 236427775 QKIMHGCKUVBGKF-VIFPVBQESA-N 314.179 2.451 10 10 DECE CCOc1cccc(CN2CCC[C@H](n3cncn3)C2)c1O 179466427 KAXMJRUUVGOBMA-AWEZNQCLSA-N 302.378 2.220 10 10 DECE O=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CCCCC1 49043577 JYTXWALDYQVEHM-UHFFFAOYSA-N 313.375 2.412 10 10 DECE CC(C)[C@@H](CNCc1ccc(N(C)C)cc1)N1CCOCC1 40165721 FJOUCHAZCJBUCM-GOSISDBHSA-N 305.466 2.199 10 10 DECE CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 191422133 QPSLVJKOWICWDE-WBVHZDCISA-N 315.417 2.430 10 10 DECE CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N(C)C)cc2)C1 190157619 GUCJWRSUWWOQAK-HOTGVXAUSA-N 316.405 2.406 10 10 DECE Cc1cc(Cl)cc(CN2CC[C@H](C)S(=O)(=O)CC2)c1O 192050106 UOJNWZYBFCHFQD-NSHDSACASA-N 317.838 2.363 10 10 DECE CN[C@H](C)c1cc(I)cc([N+](=O)[O-])c1O 238332203 AEHNOLDLGDKNDV-RXMQYKEDSA-N 322.102 2.185 10 10 DECE CC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)COC1 817937681 ZRGPIQLSMKXZRT-UHFFFAOYSA-N 317.414 2.082 10 10 DECE C[C@@H](NC(=O)[C@H](C)c1ccnn1C)c1ccc(N(C)C)cc1 817444965 CNCKFMGKSNGKST-CHWSQXEVSA-N 300.406 2.467 10 10 DECE O=C1Cc2c(C(=O)N3CC4(CC4)c4ccccc43)ccnc2N1 669036892 TYONRZXQFZMJJF-UHFFFAOYSA-N 305.337 2.268 10 10 DECE CN(C)c1ccc(/C=C/CNCC2CCS(=O)(=O)CC2)cc1 835040396 CAKIYTJMJLAQTL-ONEGZZNKSA-N 322.474 2.180 10 10 DECE COc1cccc(CNC(=O)c2c(C3CCC3)cnn2C)c1O 830537049 ZWFRVQVTBVKFTM-UHFFFAOYSA-N 315.373 2.332 10 10 DECE CN(C)c1ccc(/C=C\CN2CCS(=O)(=O)CC2(C)C)cc1 843408152 ACOBVOJBZGSPLQ-WAYWQWQTSA-N 322.474 2.275 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 844988297 FNPMDIGJNKBUBG-ZIAGYGMSSA-N 309.360 2.468 10 10 DECE Cc1ccc(O)c(CNC(=O)N[C@H](c2ncccn2)C2CC2)c1 925483256 XXNOMIVMALDHKD-HNNXBMFYSA-N 312.373 2.441 10 10 DECE CCO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C 858783405 WWESJEMDPQVOFU-WBVHZDCISA-N 305.422 2.428 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)n3)C2)cc1 855233370 XQSFKMVAXWAREN-AWEZNQCLSA-N 311.385 2.407 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3CC4CC3(C)C4)C2)cc1 854295926 FBXKCLHUOHFVKW-FVRSWCFKSA-N 315.417 2.468 10 10 DECE CC1(C)CO[C@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 924181183 FYKIAZWJNRSOPQ-DIECRNLCSA-N 305.374 2.432 10 10 DECE CC[C@@H](COCC1CC1)NC(=O)NCc1cc(OC)ccc1O 853736878 RMDWFKUFVLKCMT-AWEZNQCLSA-N 322.405 2.405 10 10 DECE CC[C@H](C)CCNS(=O)(=O)CCOc1ccc(N)cc1 696145828 UXPIFPVSPOPDAX-LBPRGKRZSA-N 300.424 2.003 10 10 DECE CC[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C 864635422 ZZVBYEKYDIFWIL-DLBZAZTESA-N 303.450 2.441 10 10 DECE CCOc1ccncc1S(=O)(=O)N[C@H](C)c1ccccc1O 867834091 FGDCIPJXOGDVHM-LLVKDONJSA-N 322.386 2.225 10 10 DECE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(C)ccc2O)C1 869411654 YERHWYMROZWSLS-QWHCGFSZSA-N 305.374 2.296 10 10 DECE Cc1ncsc1CCS(=O)(=O)N1Cc2cccc(O)c2C1 867691065 QNQOBALDACFLEK-UHFFFAOYSA-N 324.427 2.045 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895031462 HJBVLRXCVWWFDA-PRXAMGSTSA-N 324.421 2.042 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CSC[C@H]3C2)cc1 899379302 SPFDRUZENIYCDV-PHIMTYICSA-N 304.375 2.284 10 10 DECE O=C(N[C@@H]1CCN(C2CC2)C1)c1cc2cc(O)c(O)cc2s1 895875352 MLAOARJNDPJAMB-SNVBAGLBSA-N 318.398 2.279 10 10 DECE O=C(N[C@@H]1CCC[C@@H]1CO)c1cc2cc(O)c(O)cc2s1 1140759368 WLLIEUWNFRCCHT-PSASIEDQSA-N 307.371 2.203 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 703035495 BROLHDHIFPQXRT-QMMMGPOBSA-N 302.306 2.428 10 10 DECE CCC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1451765878 IUKRLAZRPVDEDG-UHFFFAOYSA-N 314.341 2.376 10 10 DECE Cc1c(F)ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1N 1611430704 GIVGPEQXMRWCBZ-SECBINFHSA-N 318.348 2.489 10 10 DECE Cc1nn(C)c2ncc(C(=O)NCc3c(O)cccc3F)cc12 1471975226 UTPJSNKAMUZJRA-UHFFFAOYSA-N 314.320 2.051 10 10 DECE Cc1cnc2c(cnn2CC(=O)N(C)Cc2ccccc2O)c1 1545503253 UDTRXSGVOQJNRI-UHFFFAOYSA-N 310.357 2.104 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1 1628951375 VSXYPYIGSZSCLO-UHFFFAOYSA-N 311.301 2.200 10 10 DECE O=C(Nc1ccc[n+]([O-])c1)c1cc2cc(O)c(O)cc2s1 1630548116 BZITXGSESDSMLJ-UHFFFAOYSA-N 302.311 2.198 10 10 DECE O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cccc(O)c1O 1643809814 SXJSACIAJOSTLX-CQSZACIVSA-N 313.309 2.016 10 10 DECE CS(=O)(=O)c1sccc1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1912198270 DXSLVTGSPQQBCH-QMMMGPOBSA-N 314.392 2.067 10 10 DECE [N-]=[N+]=NCCCn1ccnc1CCN1C(=O)c2ccccc2C1=O 1912187505 HYXPOCCWJIBZNN-UHFFFAOYSA-N 324.344 2.422 10 10 DECE CCO[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 1593873417 OQLHQXCVXRQEDU-INIZCTEOSA-N 301.342 2.492 10 10 DECE O=C(CC1(O)CCOCC1)NCc1c(O)ccc2ccccc12 1597742735 OFHFKDZPBSKWKW-UHFFFAOYSA-N 315.369 2.093 10 10 DECE C[C@@H]1C[C@H]2CN(c3ccc(CN)c(Br)c3)CCN2C1 2124850121 FHMZDUGKOVIRJG-RISCZKNCSA-N 324.266 2.438 10 10 DECE CN(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 316454458 HGFLEGUIIDAIAA-UHFFFAOYSA-N 300.318 2.495 10 10 DECE CN(C)[C@@H]1COC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 1924630761 UNBBOSPFUHIKJW-GXFFZTMASA-N 319.232 2.365 10 10 DECE CC(C)(C)OC(=O)[C@H](N)c1c(O)cccc1Br 1951409732 JUOKUNSVLKAVQB-SNVBAGLBSA-N 302.168 2.496 10 10 DECE CC(C)(C)OC(=O)N[C@@]1(c2cccc(F)c2O)C[C@H]1C(=O)O 1952775785 QNPFDYCTUWNQQJ-BJOHPYRUSA-N 311.309 2.356 10 10 DECE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CCCOC1 1980651566 AXNBFKLMBHXITJ-RHSMWYFYSA-N 322.405 2.466 10 10 DECE CN(C)c1ccc(CN=c2nc(Br)[nH]s2)cc1 2001590129 ZELZFQLPWOPEEZ-UHFFFAOYSA-N 313.224 2.401 10 10 DECE CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1O 2152903545 AYOMZAKOGGZXJV-GXTWGEPZSA-N 317.838 2.491 10 10 DECE C[C@@H](O)c1ccc(N(C)[C@H](C)CC(N)=O)cc1Br 2033931216 ATWRHPHKGBDXAE-RKDXNWHRSA-N 315.211 2.203 10 10 DECE CNCc1ccc(N(C)C[C@H]2C[C@@H](O)C2)c(Br)c1 703894641 KVLXSXNZPOBDRH-TXEJJXNPSA-N 313.239 2.376 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCN1 715765569 HKVWPQKKLJWFBJ-QMMMGPOBSA-N 303.175 2.088 10 10 DECE COc1ccc(Cn2cc(C(=O)OC(C)(C)C)c(O)n2)c(O)c1 2070641920 VQXPIROFBKAMEF-UHFFFAOYSA-N 320.345 2.307 10 10 DECE CN(C[C@@H]1COCCCO1)c1cc(Cl)c(CN)cc1F 2177382146 WNUUPGNVNUIMSB-LLVKDONJSA-N 302.777 2.180 10 10 DECE COc1ccc(N2C[C@H](C)[C@@H](N)C2)c(OC)c1Br 2044261120 FVRCMRNAJBYFRX-IUCAKERBSA-N 315.211 2.250 10 10 DECE NCc1cc(F)c(N2C[C@@H]3CCO[C@H]3C2)cc1Br 2051994238 ZKAXKPYXHVSMGD-SDBXPKJASA-N 315.186 2.272 10 10 DECE Cc1cccc(CNC(=O)c2cc(Br)n[nH]2)c1O 2084060086 CPTZIEJTXVHBRM-UHFFFAOYSA-N 310.151 2.116 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1 2234177797 VWGDQXQZMMAXQM-QWRGUYRKSA-N 302.306 2.475 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@]3(O)C[C@H]3C2)c(Br)c1 2254041686 SENWWGKSTMFUMZ-PUYPPJJSSA-N 312.207 2.464 10 10 DECE COc1ccc(C=C2C(=O)NN(c3cccc(C)c3)C2=O)cc1 2297355420 LLAOIPTVWOEHLU-UHFFFAOYSA-N 308.337 2.465 10 10 DECE Cc1ccc(CN2C[C@@H]3C(CO)[C@H]3C2)c(O)c1Br 2327628617 IXIBGGYVAUZIAZ-QWRGUYRKSA-N 312.207 2.133 10 10 DECE NCc1ccc(N2CCc3nccn3CC2)cc1Br 2337122411 HUBBVPTXPFSJPT-UHFFFAOYSA-N 321.222 2.167 10 10 DECE CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 27231053 CPIHATWVNJETDT-YIXGCBLDSA-N 310.400 2.469 10 10 DECE CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 174108895 ZQTAVTXEYIQKBD-UHFFFAOYSA-N 321.396 2.356 10 10 DECE CCCN(/N=N/c1nonc1OCC)c1nonc1OCC 101633296 UTBFYMFRVJTROY-SFQUDFHCSA-N 311.302 2.165 10 10 DECE CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)O)=C(C)N1 62398509 QQAJXBRLMJEGEW-CYBMUJFWSA-N 305.403 2.475 10 10 DECE CCN(CC)c1ccc(CNC(=O)N(C)CC2(CO)CC2)cc1 186984234 GJSGXHZCPIOYII-UHFFFAOYSA-N 319.449 2.447 10 10 DECE Cc1cc(NS(=O)(=O)c2nc(C)n(C)c2Cl)ccc1O 2364210753 GKYZSQPHIJNGFJ-UHFFFAOYSA-N 315.782 2.197 10 10 DECE CCCn1cc(S(=O)(=O)Nc2ccc(O)cc2C)nc1C 80358028 DCHAITSFKANSTK-UHFFFAOYSA-N 309.391 2.416 10 10 DECE CN(Cc1cccnc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92750477 IXQTWKXTBARQNT-CQSZACIVSA-N 302.765 2.323 10 10 DECE CC(C)CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 92775099 OYHSXYAZLORMBA-GFCCVEGCSA-N 312.211 2.493 10 10 DECE CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(OC)cc1O 92510837 OBTXNKCILKYRHL-OAHLLOKOSA-N 306.406 2.234 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 248509454 YYONYIYETFWEJH-FUGKTIDQSA-N 301.386 2.437 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 251602216 FVBBTQQZTLYEOX-PNEXNCLXSA-N 320.389 2.329 10 10 DECE Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nc[nH]n2)c(O)c1O 371877947 ZPVDVBIYSLSGMJ-CYBMUJFWSA-N 324.340 2.044 10 10 DECE Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)c(C)n1-c1ccccn1 295957533 HAVMQKWOGYRKNN-GDBMZVCRSA-N 313.401 2.475 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NCCc1cn[nH]c1 292150141 PKWWXURNBKALIT-UHFFFAOYSA-N 302.378 2.280 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 808534848 VEUOABAPTFVHNG-UHFFFAOYSA-N 320.732 2.149 10 10 DECE C[C@@H](CN(C)CCCN(C)C)NCc1cccc(Cl)c1O 826902276 JQPCOSFPMMRMFB-ZDUSSCGKSA-N 313.873 2.407 10 10 DECE CN(C)c1ccc(/C=C\CNC2(CCO)CCOCC2)cc1 835033181 QJVVQRLCDNEKLQ-ARJAWSKDSA-N 304.434 2.287 10 10 DECE CN(C)c1ccc(/C=C\CNCCN2CCCOCC2)cc1 835054144 RIYKORWGFZTZLA-HYXAFXHYSA-N 303.450 2.078 10 10 DECE Cc1cc(O)c(CN[C@@H]2CCc3nc(C)nn3C2)c(Cl)c1 840889497 IKNUHOGZSRWOHU-LLVKDONJSA-N 306.797 2.359 10 10 DECE CC(C)CCNC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21 843349507 BQEPGLBWBDBEDQ-CQSZACIVSA-N 303.450 2.449 10 10 DECE Oc1cc2c(cc1CN1CCn3c(CC4CC4)nnc3C1)CCC2 844721433 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OC[C@@H]1NC[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 2299534189 AXRZIWMDOZSIKY-DBVUQKKJSA-N 324.424 2.282 10 10 DECE CCCN(C)C[C@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308001874 WHLAUNKWBOGAGV-OAHLLOKOSA-N 318.417 2.301 10 10 DECE C[C@H]1C(=O)N(c2ccc(F)c(Br)c2)N=C1C(=O)O 2317773203 KFNAFKLPVRGLEA-RXMQYKEDSA-N 315.098 2.012 10 10 DECE CS(=O)(=O)Nc1ccc(NCc2ccc(O)c(O)c2)cc1 37076988 QIGULXKIDHUGPC-UHFFFAOYSA-N 308.359 2.081 10 10 DECE CCCN[C@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1 36870155 RDPQDGZYKIQPNB-CZUORRHYSA-N 310.463 2.371 10 10 DECE CC1CCC(NC(=O)c2cccc(O)c2O)(C(N)=S)CC1 126146653 SQLMDHXMJLBKHT-UHFFFAOYSA-N 308.403 2.063 10 10 DECE CCOCCN(CCOCC)c1c(F)cc(CN)cc1F 123525181 NGJQSOLYHLIXQY-UHFFFAOYSA-N 302.365 2.303 10 10 DECE C[C@@H](NCCn1cccn1)c1ccc(N2CCC(O)CC2)cc1 180427838 DICINHZUAVETMZ-OAHLLOKOSA-N 314.433 2.195 10 10 DECE CCNC(=O)CN(CC)c1ccc(CN)c(C(F)(F)F)c1 42367108 BRLFRDCOTGRKHY-UHFFFAOYSA-N 303.328 2.127 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(NCc3cccc(O)c3O)[C@@H]2C1 227576968 CXOGUGAHFAZBJJ-VXGBXAGGSA-N 320.389 2.053 10 10 DECE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 85201021 MCSHQRVLISYNEC-UHFFFAOYSA-N 311.290 2.030 10 10 DECE O=C(Nc1ncnc(Cl)c1Cl)c1cccc(O)c1O 236614369 BFVRVOJZJXMBJF-UHFFFAOYSA-N 300.101 2.447 10 10 DECE COc1cccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O 246127357 KQTODKKALIIWHI-RBSFLKMASA-N 307.390 2.169 10 10 DECE C[C@@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1O 827923018 HRTLAAQTASTULP-SIVJFFJCSA-N 320.414 2.023 10 10 DECE Cc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 839540631 CAWMFAGUNUVZKG-QWHCGFSZSA-N 315.421 2.362 10 10 DECE O=C(NCc1ccccc1O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 915517092 GXDMPJDZCXXZRG-CMPLNLGQSA-N 318.295 2.301 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 922459432 DNSXRTQVADKRIJ-JQWIXIFHSA-N 320.267 2.500 10 10 DECE O[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 850389527 YZDJQRHVRCLXAO-DLBZAZTESA-N 320.408 2.055 10 10 DECE O=C1CC[C@@H](C(=O)NCc2c(O)cccc2F)n2cccc21 928707598 FWBDAXYRBREICQ-ZDUSSCGKSA-N 302.305 2.167 10 10 DECE CSCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856210959 DFMPIFFNJXAEFD-UHFFFAOYSA-N 322.474 2.407 10 10 DECE CCN(C)c1ccc([C@H](C)N[C@@H]2CCc3nnn(C)c3C2)cc1 927152446 USALDCFUBLAOCF-DZGCQCFKSA-N 313.449 2.479 10 10 DECE C[C@H](CNCc1ccc(Br)cc1O)[S@@](C)=O 700994774 RWVGBNFRXKFOFN-VPTHRUTESA-N 306.225 2.011 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 897928922 HOOVEPNCEKBDCF-VUBIOHBQSA-N 316.401 2.490 10 10 DECE C[C@@H]1CO[C@H](C(=O)NCc2cc(Br)ccc2O)C1 897747593 KCUIUUOXFRNVEE-UFBFGSQYSA-N 314.179 2.196 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ccc(N)cc3)CO[C@H]2C1 1895642847 FGJAHASOBSYCFI-KKUMJFAQSA-N 319.405 2.315 10 10 DECE COc1c(F)ccc(F)c1C(=O)NCc1ccc(O)cc1O 1142533605 MXWROBXPSHFJEH-UHFFFAOYSA-N 309.268 2.315 10 10 DECE Cc1ccccc1COCC(=O)NCc1c(O)cccc1O 1156885831 PEWYWTQTQXYUAD-UHFFFAOYSA-N 301.342 2.239 10 10 DECE C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2cncnc21 1302946870 NDSPKCJZMYCGHL-JOAKQRRISA-N 311.341 2.047 10 10 DECE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(CCCN=[N+]=[N-])C1 1962298900 IQDCUZAGHBZKLJ-VHSXEESVSA-N 307.320 2.466 10 10 DECE CC(C)(CNCc1cccc(Cl)c1O)CS(C)(=O)=O 723881343 AVNNERXQVWSIAN-UHFFFAOYSA-N 305.827 2.206 10 10 DECE CC(C)C[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1331999766 IPAVOXNPNPCUSI-AWEZNQCLSA-N 316.401 2.272 10 10 DECE CN(Cc1cscn1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92751355 HADZECHZENQLOG-GFCCVEGCSA-N 308.794 2.385 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3nc(C)cs3)C2)cc1 1330078678 KOPCDJPUEFPNDH-LBPRGKRZSA-N 317.414 2.469 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@@H](C)OC)CCC2)cc1C 1280468795 FMOMWDQLRMIABM-CQSZACIVSA-N 320.433 2.167 10 10 DECE Cc1n[nH]c(C)c1CC(=O)NCc1ccc2cccnc2c1O 1299721679 PORDMNDZUQFHPE-UHFFFAOYSA-N 310.357 2.139 10 10 DECE CCN1N=C(C(F)(F)F)/C(=C/c2ccc(O)c(O)c2)C1=O 1865649737 BFYZISAKMWYPSG-YVMONPNESA-N 300.236 2.262 10 10 DECE Cc1cncc(N(Cc2ncc[nH]2)C(=O)/C=C/c2cn(C)cn2)c1 1544415196 ISLDUDSDERJIHM-ONEGZZNKSA-N 322.372 2.093 10 10 DECE CC(C)Oc1cccc(C(=O)NCc2c(O)cccc2O)n1 1558534582 VIEIUNBULBRFNH-UHFFFAOYSA-N 302.330 2.210 10 10 DECE Nc1c(F)cc(Cl)cc1C(=O)NCc1cccc(O)c1O 1633515474 BQOPWGNVGFWUGA-UHFFFAOYSA-N 310.712 2.403 10 10 DECE O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc(O)cs1 1583190129 GZRCQLFULCJLET-GFCCVEGCSA-N 302.355 2.137 10 10 DECE CCOC(=O)CCCNCc1cc(Cl)cc(OC)c1O 229052261 UDALHKIDDHAKTQ-UHFFFAOYSA-N 301.770 2.487 10 10 DECE COc1cc(Br)cc([C@@H]2CC(=O)CCN2)c1O 1952283399 NTDOKGKHWVIMDO-JTQLQIEISA-N 300.152 2.157 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 2143667931 MALKGYJTHMPUPU-WDEREUQCSA-N 316.854 2.231 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 1978467966 XZQPJKJOVJWCMR-CQDKDKBSSA-N 323.437 2.027 10 10 DECE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(c1ccc(CN)c(F)c1)C2 1981855369 BDMXNVASRPAUHM-KBPBESRZSA-N 321.396 2.482 10 10 DECE CC(C)(C)OC(=O)NC1CCN(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1985099428 NHQRFOSUZXELIR-UHFFFAOYSA-N 324.385 2.090 10 10 DECE CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CN)cc1Cl 2151276002 QZERLNVHWRLGDA-GFCCVEGCSA-N 316.854 2.202 10 10 DECE CC(C)NCc1ccc(N2CC(CO)C2)c(Br)c1 2031688506 ILNJBBZVHNPYFP-UHFFFAOYSA-N 313.239 2.376 10 10 DECE OCc1ccc(N2CC[C@@H]3COC[C@H]3C2)c(Br)c1 690381673 IEGOFPQMDMFLDE-VXGBXAGGSA-N 312.207 2.414 10 10 DECE Cc1nc(CNCc2cc(Br)cc(F)c2O)n[nH]1 715718048 LRCRAXBKAJBRNR-UHFFFAOYSA-N 315.146 2.010 10 10 DECE Nc1ccc(O)c(CNC(=O)c2coc(Br)c2)c1 386003043 SBMITJVETFVQIF-UHFFFAOYSA-N 311.135 2.260 10 10 DECE CN[C@H](C)c1ccc(N2CC=C[C@@H](O)C2)cc1Br 2046468026 OZIBGAORZJNPLC-ZYHUDNBSSA-N 311.223 2.467 10 10 DECE O=C(O)[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1F 2057029575 QBHXCDZIEHIELC-UWVGGRQHSA-N 318.142 2.009 10 10 DECE NCc1cc(F)c(N2C[C@H](O)C23CCC3)cc1Br 2081651669 BFVUTPWGLBPCNK-LBPRGKRZSA-N 315.186 2.151 10 10 DECE Nc1ccc(CCCn2cc(Br)cnc2=O)cc1 2224053806 LVBNXXVGRYTZFW-UHFFFAOYSA-N 308.179 2.221 10 10 DECE Nc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1O 2236146940 KWRGQLXILMAPNI-UHFFFAOYSA-N 300.286 2.053 10 10 DECE CN[C@H]1CCC2(C[C@@H]1N(C)c1ccc(OC)cc1)OCCO2 2264356524 NFWYWWBOUBHJLP-HOTGVXAUSA-N 306.406 2.015 10 10 DECE Nc1ccc(CS(=O)(=O)N2CCSC3(CCC3)C2)cc1 2279057267 XAGVGYBJMQIXFZ-UHFFFAOYSA-N 312.460 2.070 10 10 DECE CSc1ncc(CNC(=O)[C@@H](CN)CC(C)(C)C)s1 2269206426 ZOPGVKBBACGVSA-SECBINFHSA-N 301.481 2.492 10 10 DECE CCOC(=O)c1cnc(SC[C@@H](OC)[C@@H]2CCOC2)s1 2290410768 HZFBOVAGADQMOR-NXEZZACHSA-N 317.432 2.463 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)s1 2284501985 VQSIYJOWRUJRDV-BDAKNGLRSA-N 314.432 2.372 10 10 DECE CCOC(=O)C1=C(C)NC(=O)C1=Cc1ccc(O)c(OCC)c1 2297617133 LOHFTMTXUOPWQL-UHFFFAOYSA-N 317.341 2.141 10 10 DECE Cc1cncc(/C=C\C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 492249162 OVJKTLSSNVTWDC-MWWKQMNYSA-N 321.380 2.409 10 10 DECE N[C@H]1C[C@@H]2C[C@H]1CN(Cc1ccc(Br)cc1O)C2 2312381170 RNILWGKNTYUYQW-GAFUQQFSSA-N 311.223 2.324 10 10 DECE C[C@@H](N)c1cnc(S[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319439734 USZSEDWNHPDEOX-VGMNWLOBSA-N 306.478 2.221 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCC(N3CCCC3)CC2)c1 66532919 IQDLVUYMZRADLY-UHFFFAOYSA-N 305.378 2.361 10 10 DECE COc1ccc(N2CC[C@@H](CN[C@@H]3C[C@H]4CC[C@H]3O4)C2)cc1 1354254850 AZCUITAJIAZKJK-OKDNKWQNSA-N 302.418 2.431 10 10 DECE COc1ccc(N2CCN(CC(=O)OCC(C)C)CC2)cc1 181422863 HLXMMKRCIVSLTA-UHFFFAOYSA-N 306.406 2.016 10 10 DECE Oc1cc2c(cc1CNC[C@@H]1CCN1C1CCCC1)OCO2 527807051 LTCSQYHBUVDQPZ-AWEZNQCLSA-N 304.390 2.227 10 10 DECE Cc1cc(/C=C\C(=O)N[C@H](C)C(N)=O)c(C)n1-c1ccccc1 255268014 GXHVLRDRLQHMCO-ASCRHOAZSA-N 311.385 2.097 10 10 DECE CN1CCc2cc(/C=C3\N=C(c4ccccn4)OC3=O)ccc21 255027595 NKAFELIFHQHJGG-PTNGSMBKSA-N 305.337 2.418 10 10 DECE CN(C)c1ccc(CNC(=O)/C=C\c2ccc(C(N)=O)cc2)cc1 255142005 ALBNYOWSDWKNCT-GHXNOFRVSA-N 323.396 2.181 10 10 DECE CC(=O)C(=O)COC(=O)/C=C/Sc1cc(F)ccc1F 808547304 LEWCKNWPOTZDQJ-SNAWJCMRSA-N 300.282 2.272 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCNC(=O)CC1 816593158 GYDFGXVFVVDCFF-CQSZACIVSA-N 318.417 2.437 10 10 DECE CN1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 729681403 ACWGUYWIRKEESA-OAHLLOKOSA-N 318.421 2.379 10 10 DECE COc1cccc(CNC(=O)[C@]2(O)CCCC(C)(C)C2)c1O 830536542 SZRUEPNIOJSKLX-KRWDZBQOSA-N 307.390 2.348 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H]2CCCN(CCCO)C2)cc1 835055571 WPCRBOWWRLRREA-PXPSOEEZSA-N 317.477 2.202 10 10 DECE O=C(C[C@H]1CCC2(CCC2)CO1)NCc1ccc(O)cc1O 910956628 MCHQNIGOEGQZRW-CQSZACIVSA-N 305.374 2.453 10 10 DECE C[C@@H]1C[C@@H](CO)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1 844218159 NMWNJTAOSNJVFS-KJGKVODESA-N 320.345 2.147 10 10 DECE C[C@H]1C[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C)c1 923126253 OBPRQMBUBIHIFZ-XXSPCDMZSA-N 302.374 2.259 10 10 DECE CCN(C)c1ccc([C@H](C)NCCN2CCC(N)CC2)cc1 925815922 UFDYVTDEUXJCSC-HNNXBMFYSA-N 304.482 2.216 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3SCCS3)C2)cc1 855233840 NYJBQIJFWLGZSQ-LLVKDONJSA-N 324.471 2.196 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC34CC4)C2)cc1 852387894 IXRYYJNVOHMHHF-SWLSCSKDSA-N 301.390 2.126 10 10 DECE CCN(CC)c1ccc(CNC2CN(c3ccncn3)C2)cc1 865749349 QVOUVILBOUULGO-UHFFFAOYSA-N 311.433 2.301 10 10 DECE C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@]12CCCC[C@H]1C2 868291408 JVOCRADBAVYURK-NVGCLXPQSA-N 301.390 2.292 10 10 DECE C[C@H]1C[C@@H]1NC(=N)NCc1ccc(N2CCSCC2)cc1 864454582 ONMRJXKUYAFSOJ-WFASDCNBSA-N 304.463 2.262 10 10 DECE Cc1ccc(CNCc2nn(C)cc2Br)c(O)c1 877565463 ZWXXHUCIVKUGGY-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnnc2C)c1 776494869 GNDXDZMKKWCZIG-VIFPVBQESA-N 302.334 2.382 10 10 DECE CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cccc(O)c1O)C1CC1 1123890135 ULIIVLNRJZICBL-CYBMUJFWSA-N 321.373 2.082 10 10 DECE COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(OC)c(C)c1 895863098 KRVSHETYZBHVNQ-LSDHHAIUSA-N 307.390 2.204 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 1147957784 WCDVMUFTPCEHFE-UHFFFAOYSA-N 319.292 2.260 10 10 DECE Nc1ccc(OCCN2CC3(C2)CN(Cc2ccccc2)C3)cc1 706199847 RNIIQGJQTKIOJM-UHFFFAOYSA-N 323.440 2.465 10 10 DECE O=C(O)C1(CNCc2ccc(N3CCCC3)cc2)CCOCC1 1326189354 WROMDJCVCAPMCF-UHFFFAOYSA-N 318.417 2.258 10 10 DECE C[C@@](O)(CCc1ccccc1)C(=O)NCc1cccc(O)c1O 1350300460 RIYNJYWPIWSZNH-GOSISDBHSA-N 315.369 2.098 10 10 DECE CCc1cnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 1467374934 DNSPTXWLOQVVAF-UHFFFAOYSA-N 301.306 2.329 10 10 DECE Cc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)c(O)c1O 1617351067 YUGOLTOPKHXIHJ-UHFFFAOYSA-N 314.341 2.487 10 10 DECE Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c(O)c1O 1558011879 SMEBBGPQZWTLKC-VIFPVBQESA-N 321.358 2.362 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)CC(=O)OC 1634943593 BAGOTCXWOQYWFB-LLVKDONJSA-N 314.378 2.083 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1 1634228575 HJIVROPRTVVCMB-UONOGXRCSA-N 301.317 2.452 10 10 DECE O=C(NCCc1ccccc1[N+](=O)[O-])c1c(F)ccc(O)c1O 1648751679 MEQSDMHCZFORLO-UHFFFAOYSA-N 320.276 2.118 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1csc(O)n1 1643283183 KCCDJVKPJQVGAO-UHFFFAOYSA-N 301.327 2.033 10 10 DECE C[C@@H]1Cc2cc(CNC(=O)c3c(F)ccc(O)c3O)ccc2O1 1641843205 DJQWMCMGWYTZKW-SECBINFHSA-N 317.316 2.490 10 10 DECE CC[C@@H](O)[C@H](C)NCc1c(Br)ccc(OC)c1O 1965894513 WNNNVEIUPRGFHY-GZMMTYOYSA-N 318.211 2.412 10 10 DECE Cc1nn(C)c(CC(=O)Cc2ccc(N)cc2)c1Br 166817870 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C[C@@H](N)c1ccc(N2C[C@H]3C(N(C)C)[C@@H]3C2)cc1Br 384884454 JGZCJGWMELATCE-OASPWFOLSA-N 324.266 2.465 10 10 DECE COCc1nnc(Sc2ncc(C(=O)OC)s2)s1 2062458406 FZAYPWMVNNLKIW-UHFFFAOYSA-N 303.390 2.079 10 10 DECE Cc1c(C(=O)NCCCCN=[N+]=[N-])c(Br)nn1C 2067850585 CGEJPMXFAIWFFC-UHFFFAOYSA-N 315.175 2.311 10 10 DECE CP1(=O)CCN(CCNCc2c(O)cccc2Cl)CC1 2199615239 JDDUHMLWBHXLBK-UHFFFAOYSA-N 316.769 2.444 10 10 DECE CCOCCOCCOCCSc1ncc(CNC)s1 2240422350 UIXBFFXOLWUZTO-UHFFFAOYSA-N 320.480 2.024 10 10 DECE CN(Cc1cscc1S(C)(=O)=O)c1ccc(CN)cc1 2288526646 VQXZFTXBLIDHDS-UHFFFAOYSA-N 310.444 2.247 10 10 DECE CCN(C)c1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1 2297296560 DPLAIBDFXQEGSG-UHFFFAOYSA-N 316.317 2.423 10 10 DECE Cc1cncc(/C=C\C(=O)N2CCNC(=O)c3ccccc32)c1 491971757 IGKDCBOQGBVOMN-SREVYHEPSA-N 307.353 2.180 10 10 DECE C[C@H](O)c1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2308001696 HERIAGWVDQFJHR-LBPRGKRZSA-N 313.353 2.481 10 10 DECE COC(=O)[C@H]1Cc2cccc(O)c2CN1C(=O)OC(C)(C)C 115490278 PUFNDZATOYOMBX-GFCCVEGCSA-N 307.346 2.227 10 10 DECE OC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 76943321 WLDHHOFNTUWAAR-LJQANCHMSA-N 312.413 2.346 10 10 DECE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1 40327680 JBERXZOYFLFTFT-ZDUSSCGKSA-N 304.415 2.492 10 10 DECE O=C(c1cc(O)c(O)c(O)c1)N1CCC(Cl)=C(Cl)C1 2132411593 WLMMYJYTSYTBHZ-UHFFFAOYSA-N 304.129 2.339 10 10 DECE COc1ccc(CN2CCC(c3nc(C)no3)CC2)c(O)c1 91837212 ZZMYKGGQUMMJMZ-UHFFFAOYSA-N 303.362 2.472 10 10 DECE COc1ccc(N2CCCN(C[C@@H](O)C(F)(F)F)CC2)cc1 248544397 CWQKDTLRJOLKNL-CQSZACIVSA-N 318.339 2.131 10 10 DECE COCCNCc1ccc(N2CC[C@@H](O)[C@H](C)C2)c(Cl)c1 253175924 FPMAOLSCPDIDDB-MLGOLLRUSA-N 312.841 2.283 10 10 DECE COc1ccc(N(C)Cc2nnc3n2CCOC3)cc1Cl 280989565 DVMVVOJXRKGULY-UHFFFAOYSA-N 308.769 2.107 10 10 DECE CC(C)OCC(=O)NCc1cc(Br)ccc1O 804738643 YGRJMBZSLKIYEK-UHFFFAOYSA-N 302.168 2.196 10 10 DECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCC(F)F 819698802 SGYJEEPMQVECMF-UHFFFAOYSA-N 315.316 2.329 10 10 DECE CC[C@H]1C[C@@H](NC(=O)NCc2ccc(OC)cc2O)CCO1 817176608 JOFVECVWHJSZIR-STQMWFEESA-N 308.378 2.158 10 10 DECE COc1ccc(N2CCN(C(=O)C3(C)CCOCC3)CC2)cc1 726751787 FSEPSMUKESLRCT-UHFFFAOYSA-N 318.417 2.161 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc(C)n1 819761474 RNPMMFZKKMBCJZ-UHFFFAOYSA-N 306.362 2.215 10 10 DECE CC(C)S(=O)(=O)CCNC/C=C\c1ccc(N(C)C)cc1 835051929 BZFSWFKSKBAKAC-WAYWQWQTSA-N 310.463 2.179 10 10 DECE CC(C)(C)OC(=O)NCCCNC(=O)c1cc(O)cs1 732286557 GFPXMCYOVPAHKZ-UHFFFAOYSA-N 300.380 2.098 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C 924710263 JNPNKWVJNFOLJU-DVOMOZLQSA-N 308.397 2.175 10 10 DECE Cc1cc(Cl)cc([C@@H](C)N[C@H](CO)c2ccnn2C)c1O 858435587 MJYFECMKIPLGAK-ZWNOBZJWSA-N 309.797 2.472 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cnc(Cl)n3C)C2)cc1 850347372 RHKVSANOXOHTEM-GFCCVEGCSA-N 320.824 2.451 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cncc(OC)c3)C2)cc1 850347783 XKZCXFLRHNYXHA-OAHLLOKOSA-N 313.401 2.467 10 10 DECE O=C(NCc1cccc(Cl)c1O)Nc1nc2n(n1)CCCC2 931703220 HBVXVAMOCOXKQQ-UHFFFAOYSA-N 321.768 2.295 10 10 DECE CCOC1CC2(C1)C[C@H]2C(=O)NCc1cccc(OC)c1O 866762886 FGEGVEMNTJUFKM-JZLYGMAVSA-N 305.374 2.222 10 10 DECE COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1ccc(N(C)C)cc1 862516485 SEVVQDFWULFXRM-DOTOQJQBSA-N 320.433 2.201 10 10 DECE Cc1ccc(C(=O)NC2CCC(C)(N(C)C)CC2)c(O)c1O 871359815 VNULBTDAIKSNLG-UHFFFAOYSA-N 306.406 2.399 10 10 DECE CN1CCN(c2ccc(/C=C/c3cc(C(=O)O)ncn3)cc2)CC1 771529934 WSDFUMLUZBUQFX-GORDUTHDSA-N 324.384 2.097 10 10 DECE CCOc1ccc(CN[C@H](COC)[C@@H]2CCCOC2)c(O)c1 886359397 BNLHMNXOYUWAOI-GDBMZVCRSA-N 309.406 2.322 10 10 DECE CCC/C=C/[C@@H](O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1137386384 CCDMYHMYERHRDS-FUTAKVPZSA-N 318.417 2.061 10 10 DECE COc1ccc(N2CCN(c3ccccn3)CC2)c2c1CNCC2 82793132 CWNRAXQCNLNLKJ-UHFFFAOYSA-N 324.428 2.063 10 10 DECE CO[C@@H]1CN(CCN=[N+]=[N-])[C@@](C)(CNC(=O)OC(C)(C)C)C1 1962303256 GLTULRQOXDBZJJ-SMDDNHRTSA-N 313.402 2.301 10 10 DECE CCCCNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1267476874 QPGKCOLEBYNDIH-UHFFFAOYSA-N 305.382 2.311 10 10 DECE COc1cc(CN(C)C(=O)c2ccc(C)c(O)c2O)sn1 1353122112 AEUKEIFNCUWOCV-UHFFFAOYSA-N 308.359 2.144 10 10 DECE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1cccc(F)c1 1470147785 NXQPTBXKTZBGGM-CQSZACIVSA-N 317.316 2.451 10 10 DECE COc1cc(CN(C)C)ccc1NC(=O)c1cccc(O)c1O 1629508732 LKABBWBOCUKFCC-UHFFFAOYSA-N 316.357 2.420 10 10 DECE Cc1[nH]nc(Br)c1C(=O)N1Cc2cccc(O)c2C1 1558036155 VBULIXVYLMZPEG-UHFFFAOYSA-N 322.162 2.342 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1scnc1C 1597684297 WPNYNUUDVPDTAY-HJWRWDBZSA-N 315.398 2.487 10 10 DECE CC(C)(C)OC(=O)NOCCCC(=O)NCCCN=[N+]=[N-] 1964884437 QADODUXQHRFXHJ-UHFFFAOYSA-N 301.347 2.040 10 10 DECE CCn1ncc(Br)c1C(=O)NCCCCN=[N+]=[N-] 1912188696 QIVSVTWVBWWUAG-UHFFFAOYSA-N 315.175 2.486 10 10 DECE Cc1nnnn1-c1ccccc1C(=O)Nc1cccc(N(C)C)c1 1874060839 NFPFQNMQILARGE-UHFFFAOYSA-N 322.372 2.289 10 10 DECE O=C1Nc2cc(N3CC4(C3)CC4(F)F)c(Cl)cc2[C@@H]1O 1914929793 PVELLAVLQFHAJS-JTQLQIEISA-N 300.692 2.171 10 10 DECE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928468975 CBIIEUCWCHJMDQ-LERXQTSPSA-N 310.394 2.320 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1cc(O)c(O)c(O)c1 1951859258 ICEKKYPBXMDVEV-GFCCVEGCSA-N 309.318 2.054 10 10 DECE CN(Cc1ccccc1O)C(=O)C=CCNC(=O)OC(C)(C)C 1985005940 XXBCEINIHMSPMM-UHFFFAOYSA-N 320.389 2.432 10 10 DECE CC(C)(C)OC(=O)N1C[C@]2(C(=O)NCCCN=[N+]=[N-])C[C@@]2(C)C1 1985094659 RUIYDDKIZKQPLW-GJZGRUSLSA-N 323.397 2.450 10 10 DECE CN(Cc1cnsc1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2150305731 SSGSAZOEVJMDMU-GFCCVEGCSA-N 309.778 2.418 10 10 DECE O=[S@]1CC[C@@]2(CCCN2Cc2ccc(F)c(F)c2O)C1 2158510516 FKVKXNRFLNANSZ-XOBRGWDASA-N 301.358 2.157 10 10 DECE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCCC1(F)F 2171870180 DZZNNPKOMYZSLT-LBPRGKRZSA-N 304.362 2.266 10 10 DECE CN(CC[S@](C)=O)c1ccc(CNC2CC2)c(Cl)c1 398969848 XCHDWVVVZKZJBA-IBGZPJMESA-N 300.855 2.407 10 10 DECE CC(C)(C)N(CCS(C)(=O)=O)c1ccc(CO)cc1Cl 2170176822 AFWXPEWUJZMUTE-UHFFFAOYSA-N 319.854 2.482 10 10 DECE CC(C)n1cc(CNCc2cccc(Cl)c2O)c(O)nc1=O 1474681780 NOYSCIVKNDTATK-UHFFFAOYSA-N 323.780 2.179 10 10 DECE O=C1Nc2cc(N3CC(SC(F)F)C3)c(Cl)cc2[C@H]1O 2196691125 AJZBKWGPTYZQOU-SNVBAGLBSA-N 320.748 2.470 10 10 DECE O=C(O)[C@@H]1C=CCN(Cc2c(O)cccc2Br)C1 2041797716 JSWGQDBMPDVILS-SECBINFHSA-N 312.163 2.227 10 10 DECE CNCc1ccc(N(C)[C@@H]2CN3CC[C@H]2C3)cc1Br 2102507028 KJTLOYZRLXCCHX-SWLSCSKDSA-N 324.266 2.309 10 10 DECE [N-]=[N+]=NC1CN(C[C@H]2CC2(Br)Br)C1 2209113643 MNEHXCUXUOLCOH-RXMQYKEDSA-N 309.993 2.487 10 10 DECE CC1(C)CC(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2236167234 FRVWIGDMSZEGJI-UHFFFAOYSA-N 300.336 2.231 10 10 DECE CSc1ncc(CN=c2cc(C)[nH]cc2C(N)=S)s1 2269243305 VHGKZBCZHUEXOP-UHFFFAOYSA-N 310.473 2.237 10 10 DECE OCc1ccc(N2CCOC[C@@H](F)C2)c(Br)c1 2299880185 GXZNIRLRRDNFPB-JTQLQIEISA-N 304.159 2.116 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc([N+](=O)[O-])cc1 2307986737 XKJRUCGXINZCJC-UHFFFAOYSA-N 314.297 2.336 10 10 DECE CCN1CCC[C@H]1CN(C)C(=O)C=Cc1ccc(O)c(O)c1 2308001833 TTWHVQRKTFVAES-AWEZNQCLSA-N 304.390 2.054 10 10 DECE Cc1ccc(CN2C[C@H]3C(CO)[C@@H]3C2)c(O)c1Br 2327628616 IXIBGGYVAUZIAZ-GHMZBOCLSA-N 312.207 2.133 10 10 DECE COc1cccc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1O 92079598 AUZFLWCVULOSAL-CQSZACIVSA-N 320.433 2.086 10 10 DECE CCCOc1ccc(CN(C)C[C@@H]2CCN(C(C)=O)C2)c(O)c1 92101380 YPRWUXKMDJFXLX-HNNXBMFYSA-N 320.433 2.481 10 10 DECE CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c(O)c1 249630537 VCGOGMXCLIBUGI-JNFQDSBJSA-N 303.402 2.382 10 10 DECE CC(=O)C(=O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 289722300 SERRDHGFELFRSL-CQSZACIVSA-N 316.313 2.125 10 10 DECE C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(F)c2O)CS1(=O)=O 827169981 GZNUZIJDHUQHPM-LDYMZIIASA-N 321.801 2.240 10 10 DECE CCOc1cccc(CNC[C@@H]2CNCCC2(F)F)c1O 903955365 PYXYBGPXWYBSEB-LBPRGKRZSA-N 300.349 2.125 10 10 DECE COc1cccc(CNC(=O)c2onc3c2CCCC3)c1O 830540827 NYLPYLACMSMPSO-UHFFFAOYSA-N 302.330 2.198 10 10 DECE Nc1ccc(NC(=O)C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 841011156 DHIYXCBVTPHXME-VIFPVBQESA-N 315.295 2.008 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCNC[C@@H]2C)cc1 841718949 YQYWHFVKHWDUPM-WMLDXEAASA-N 318.465 2.330 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C(C)(C)O 840480045 TXNMQBLNNSFJFW-ZIAGYGMSSA-N 321.465 2.451 10 10 DECE COCCN[C@@H](C)c1cc(Br)cc(OC)c1O 848512991 CEGCKSBUDSVCLK-QMMMGPOBSA-N 304.184 2.460 10 10 DECE Cc1cc(C)c([C@H](C)N[C@H]2CCc3nnn(C)c3C2)c(O)c1 927145997 MIHWUJMMHRTHET-STQMWFEESA-N 300.406 2.346 10 10 DECE CCS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CC1 922258067 AGGGUMSNUYPZSH-UHFFFAOYSA-N 309.431 2.069 10 10 DECE Oc1ccccc1CNCc1ccc(CN2CC[C@@H](O)C2)cc1 850357629 QAZYGZUMSORLGS-GOSISDBHSA-N 312.413 2.249 10 10 DECE CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2O)C1 756759543 KSRXFUDHPHQDDL-KGLIPLIRSA-N 305.422 2.463 10 10 DECE CCN(CC)c1ccc(CN[C@H]2CCN(CC(C)(C)O)C2)cc1 865658437 OFGUTVSZOBVSCW-KRWDZBQOSA-N 319.493 2.468 10 10 DECE C[C@@H]1C[C@]1(C(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 866770290 VEEHBKQZEHAXHR-QGHHPUGFSA-N 321.373 2.082 10 10 DECE CN1CCCC[C@@H]1CCC(=O)NCCc1ccc(O)c(O)c1 788310029 YIGXYHSUKAWBGY-CQSZACIVSA-N 306.406 2.021 10 10 DECE CCOCc1cc(CNC[C@H](O)C(F)(F)F)ccc1OC 788974580 HTIYTIYBQMYZPP-ZDUSSCGKSA-N 307.312 2.245 10 10 DECE OC[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCO1 1879589852 VDHIRBIAEADQDT-ZDUSSCGKSA-N 306.189 2.330 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cccc2c1OC(F)(F)O2 1153885073 KDHNCJMYWFYWER-UHFFFAOYSA-N 323.251 2.349 10 10 DECE CN(c1ccc(CN)c(Cl)c1)[C@H]1CCCS(=O)(=O)CC1 694210786 DIYTVOYZSFUYCM-LBPRGKRZSA-N 316.854 2.202 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]12CCOC2 1348667736 ZSKVZHLGPRWZTN-GOSISDBHSA-N 315.417 2.361 10 10 DECE Cc1ccc(C(=O)N[C@H]2CCOCC23CCCC3)c(O)c1O 1348212743 KZRYPXXBOMIWJV-ZDUSSCGKSA-N 305.374 2.485 10 10 DECE Oc1cccc(Br)c1CN1CCOC[C@@H](F)C1 2299886873 DCYIDNBGBPZDNU-VIFPVBQESA-N 304.159 2.325 10 10 DECE COc1cccc(CNC(=O)c2cc(C(F)F)ncn2)c1O 1622779840 XAWQAQSHPTVGIA-UHFFFAOYSA-N 309.272 2.058 10 10 DECE Cc1cc(C(=O)N2CC[C@H](CO)[C@H]2C)c(C)n1-c1ccccn1 1626270458 MIDOLKTYLZWCCQ-UKRRQHHQSA-N 313.401 2.332 10 10 DECE O=C(NCc1c(O)cccc1O)c1ncc2ccccc2c1O 1645363014 JGJNZVTWCCVTGQ-UHFFFAOYSA-N 310.309 2.282 10 10 DECE Cc1cnc2c(C(=O)NCc3cc(Cl)ccc3O)cnn2c1 1644590738 MTUCDMPWOFHPSZ-UHFFFAOYSA-N 316.748 2.327 10 10 DECE CC(=O)c1cc(F)cc(Cn2c3ccccc3c(=O)n2C)c1O 1648043886 XLVKPSZPZAQMIG-UHFFFAOYSA-N 314.316 2.436 10 10 DECE CCCCOC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 1653033765 NBSKEHOYMTWQES-UHFFFAOYSA-N 309.362 2.261 10 10 DECE CNCc1ccc(N(C)CC2(CO)CC2)cc1Br 1915547909 BXTCQMXJZXLCHM-UHFFFAOYSA-N 313.239 2.377 10 10 DECE CC(C)(C)OC(=O)NC[C@@](O)(C1CC1)[C@@H](N)c1ccccc1O 1920302751 IKXBQEWUPQMRFC-WMLDXEAASA-N 322.405 2.058 10 10 DECE Cc1cccc(CNC(=O)C(Cl)=C(Cl)C(=O)O)c1O 2139750715 LAWPCWOVTRMISQ-UHFFFAOYSA-N 304.129 2.091 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2ccc(N)cc2)C1 1981507605 GADSPMJARVBRTB-SWLSCSKDSA-N 321.421 2.299 10 10 DECE CCNCc1ccc(N2C[C@H](O)[C@@H](F)C2)cc1Br 2031916956 VHTMLJMLSKZDPC-STQMWFEESA-N 317.202 2.078 10 10 DECE CN(C)[C@]1(C)CCN(c2ccc(CO)c(Br)c2)C1 2032589324 FNEPGJJNGRNGCN-CQSZACIVSA-N 313.239 2.472 10 10 DECE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CC1(F)F 2158381347 FSZBMDHOYGUWMD-UHFFFAOYSA-N 304.362 2.076 10 10 DECE C[C@@H](N)c1ccc(N(C)Cc2nncn2C)c(Br)c1 311889521 XXPKEPHADXLFMK-SECBINFHSA-N 324.226 2.234 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Cl)cc21 711580684 HKWHHESCRAYMRQ-DAROEXNTSA-N 309.822 2.091 10 10 DECE OC[C@@H](NCc1ccc(Br)cc1O)C1CCC1 717602986 FBTSYAOLEOOBCS-GFCCVEGCSA-N 300.196 2.405 10 10 DECE CN(CC1(Br)CC1)c1ccc2c(c1)NC(=O)[C@@H]2O 2076269498 MQGVTLZZUXYDAX-LLVKDONJSA-N 311.179 2.036 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2082887467 JDXSJFYUNHQPAY-PYUPQCDSSA-N 312.207 2.319 10 10 DECE Cc1ccc(CN(C)C[C@H](C)CN)c(O)c1Br 2307566801 JAOAZKPTGYXFAZ-SECBINFHSA-N 301.228 2.490 10 10 DECE Cc1ccc(CN2CC[C@@]3(CCN3)C2)c(O)c1Br 2327630265 IWDYCSOKVOLHJU-AWEZNQCLSA-N 311.223 2.401 10 10 DECE CN1C(=O)N=C(O)/C(=C(O)/C=C/c2ccc(N(C)C)cc2)C1=O 102704570 MJDFKYGNRWUZLC-UXKPLKHMSA-N 315.329 2.126 10 10 DECE [N-]=[N+]=NCCN1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 309726655 NUEDBITYYKWTKU-KRWDZBQOSA-N 314.437 2.189 10 10 DECE C[C@@H](N[C@@H]1CCC[C@H]1S(C)(=O)=O)c1cc(F)ccc1O 2358229913 QOTIRBGNPCGJNS-GAJTVXKRSA-N 301.383 2.148 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1CN2CCC1CC2 236616826 VJAWETQXOOJLMY-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE CC1=CC(C)(C)N2C(=O)C(=O)c3c(CN(C)C)c(O)cc1c32 72415022 IGBWAPRJYISOSX-UHFFFAOYSA-N 300.358 2.179 10 10 DECE CS(=O)(=O)C[C@H](N)c1ccc(OCc2ccccc2)cc1O 95768423 DLJJYBMAUIMZDP-HNNXBMFYSA-N 321.398 2.016 10 10 DECE CCOc1ccc(O)c(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 361099889 DMGSOVQMNJNHDP-BBRMVZONSA-N 318.417 2.282 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1F 299022168 STOZIANVJKQVEM-UONOGXRCSA-N 323.412 2.242 10 10 DECE COc1cc2c(c(OC)c1)N(C[C@H](O)C(F)(F)F)CCC2 839656835 UACNMEHBSNTROF-LBPRGKRZSA-N 305.296 2.380 10 10 DECE CC[C@@H](C(=O)O)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 844929561 LAPHIBUCZLLTRB-IOCXFXADSA-N 322.317 2.080 10 10 DECE COC(=O)[C@@H]1CSCCN(Cc2cccc(Cl)c2O)C1 840977943 NVXOBHCOCDKTIA-NSHDSACASA-N 315.822 2.384 10 10 DECE CC(C)CNC(=N)NCc1cc(Br)ccc1O 849027848 KYPQRDRXDKUEFH-UHFFFAOYSA-N 300.200 2.425 10 10 DECE CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nn1 840264077 ODKYHNLNFDPBKN-UHFFFAOYSA-N 313.405 2.213 10 10 DECE CC(C)c1noc(CCC(=O)NCc2c(O)cccc2F)n1 928712552 SOJCMEWMEJRCCJ-UHFFFAOYSA-N 307.325 2.287 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 926935751 GWAGEUWSLJKSFU-MHEUCROKSA-N 317.385 2.421 10 10 DECE CC1(O)CC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1 854513806 PBUWHNAQAXWJKS-UHFFFAOYSA-N 322.368 2.496 10 10 DECE CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867836504 VCTZAHQFWOHTKS-QWHCGFSZSA-N 315.435 2.434 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)c3occc3N)C2)cc1 1329038110 DGGKKNXILZDGKM-GFCCVEGCSA-N 315.373 2.127 10 10 DECE C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccnn1C 869184413 UZCMDWFHEZHEPF-SECBINFHSA-N 308.769 2.340 10 10 DECE COC[C@](C)(CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 768456122 ZIZVBVZOMXGTHX-SFHVURJKSA-N 316.401 2.221 10 10 DECE CN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)c2ccccc2C1=O 871203431 AIZCSOFKPNXJRO-INIZCTEOSA-N 322.364 2.104 10 10 DECE CC(C)(COCC(F)F)C(=O)NCCc1ccc(O)c(O)c1 787130868 BHRGCUPJGVOMLB-UHFFFAOYSA-N 317.332 2.064 10 10 DECE Oc1ccc(Br)cc1CN1CCCn2nncc2C1 895757557 XPMOMTGXFIVDCG-UHFFFAOYSA-N 323.194 2.152 10 10 DECE O=C1N(CCNCc2c(O)cccc2Cl)C[C@@H]2CCCCN12 895344669 VRJJETMWUFMQAF-LBPRGKRZSA-N 323.824 2.425 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cccc(C2OCCO2)c1 1142533034 CUGRLLRTTKIZEQ-UHFFFAOYSA-N 315.325 2.073 10 10 DECE Cc1cc(CN2[C@H](CO)CC[C@H]2CO)ccc1N1CCCCC1 1307882533 PYSYKTKDIIOHBI-ROUUACIJSA-N 318.461 2.303 10 10 DECE O=C(c1cccc(O)c1O)N1CCOc2c1ccc(F)c2F 1162772327 AVBMKLGOTTZOEA-UHFFFAOYSA-N 307.252 2.415 10 10 DECE CC(C)(C)OC(=O)NC1(CO)CCN(CCCN=[N+]=[N-])CC1 1962298162 CAACBGQXUZQVGL-UHFFFAOYSA-N 313.402 2.038 10 10 DECE Oc1cccc2c1CN(c1cc(C(F)(F)F)nc3ncnn13)C2 1187405155 OANWPCARUBZANR-UHFFFAOYSA-N 321.262 2.369 10 10 DECE Cc1cccc(NC(=O)CCN2C(=O)CSC2=S)c1C 1865767630 ADTOGNHDFWZCKG-UHFFFAOYSA-N 308.428 2.492 10 10 DECE COCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1292030731 BTIZHXHBGNOQRY-UHFFFAOYSA-N 317.341 2.304 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 1454691897 WQKKQZDXPQFWSO-BLLLJJGKSA-N 316.361 2.084 10 10 DECE CCCOCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1490814245 BQLGCIIPJONRAP-INIZCTEOSA-N 320.433 2.121 10 10 DECE CN(C/C=C/Cl)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1567322187 VYAOEVNWGVHNTF-BVHCNOTJSA-N 323.784 2.263 10 10 DECE CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)N1 1641293365 KXWGMILUVBGDBR-CMPLNLGQSA-N 303.366 2.062 10 10 DECE CC(C)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1674781127 SMYVIEWHSPOCJU-GHMZBOCLSA-N 305.382 2.354 10 10 DECE C[C@H](NC[C@@]1(O)CCSC1)c1ccc(N2CCOCC2)cc1 158129830 BOXNDRYOKCPFRX-YOEHRIQHSA-N 322.474 2.042 10 10 DECE Cc1nn(C)c(Cl)c1/C=C/C(=O)NCc1ccc(O)c(O)c1 158945718 YDJQXGDZIZATLI-GQCTYLIASA-N 321.764 2.123 10 10 DECE C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(O)cc1O 1928512565 HHCVIQAIRLRRGF-LLVKDONJSA-N 310.394 2.491 10 10 DECE CCC(CC)CNS(=O)(=O)CCOc1ccc(N)cc1 124707742 MOBLKCJCZQWENR-UHFFFAOYSA-N 300.424 2.003 10 10 DECE C[C@@H](O)c1ccc(N2CC(CCO)C2)cc1Br 1946931149 KUYHOOPICLBSLD-SECBINFHSA-N 300.196 2.321 10 10 DECE O=C(O)[C@@H]1CCN[C@H](c2cccc(Br)c2O)C1 1952535240 CJUKQDLWTUEKHU-XCBNKYQSSA-N 300.152 2.280 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]1c1ccc(O)cc1O 1952796567 WEUNCVBYCFPBGU-AAEUAGOBSA-N 323.345 2.481 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)NCCN=[N+]=[N-])[C@@H]2CCC[C@H]21 1985105151 OXEAAKKXXNTPOV-WISYIIOYSA-N 323.397 2.352 10 10 DECE CCN(C)[C@H]1CCN(c2ccc(CO)cc2Br)C1 2036501352 DGGUKUYPAZCBKS-LBPRGKRZSA-N 313.239 2.472 10 10 DECE NCc1ccc(N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1Br 2039482106 FJQWPEBULWNYLM-SUNKGSAMSA-N 311.223 2.257 10 10 DECE CN(CC1CC(F)(F)C1)S(=O)(=O)Cc1ccc(N)cc1 383123173 BUCXULIXZBSWML-UHFFFAOYSA-N 304.362 2.076 10 10 DECE CC[C@@H]1C[C@H](CC(=O)NCc2c(O)cc(O)cc2O)CCO1 2062726803 GQCLFNMCRKEACM-ZYHUDNBSSA-N 309.362 2.015 10 10 DECE COc1ccc([C@@H](C(C)C)n2nc(C)c(C(=O)O)c2N)c(O)c1 2079956345 FJCQLIWOHNUCOM-CQSZACIVSA-N 319.361 2.432 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@]3(O)C2)c(Br)c1 2051367431 SDYNTKVOSZWWKP-UDZFHETQSA-N 312.207 2.464 10 10 DECE CN(C[C@]1(Cl)CC1(C)C)S(=O)(=O)Cc1ccc(N)cc1 2237989061 CDEVVBRXTRRWJD-CQSZACIVSA-N 316.854 2.438 10 10 DECE CCC(F)(F)CC[S@@](=O)CC(=O)Nc1ccc(N)cc1 2283704455 SLTFBVIVIPUYIM-HXUWFJFHSA-N 304.362 2.391 10 10 DECE OCc1ccc(N2CCOC[C@@H](F)C2)cc1Br 2299876614 WUVMDXFZIUKDKF-JTQLQIEISA-N 304.159 2.116 10 10 DECE Cc1ccc(CNC[C@@H]2CC[C@H]2O)c(O)c1Br 2307476450 BFDFEUNIMOOLQT-GXSJLCMTSA-N 300.196 2.324 10 10 DECE Cc1ccc(CN2C[C@@H]3CCN[C@@H]3C2)c(O)c1Br 2327621854 RMQVARZBNXTYOM-CMPLNLGQSA-N 311.223 2.257 10 10 DECE O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC[C@@H]1CCOC1 108908957 WRCAPIVSUMYTBV-WUTVXBCWSA-N 317.385 2.116 10 10 DECE COc1ccc(O)c(CNC(=O)COc2cccc(F)c2)c1 172042232 QEKPPLKSWDSVBS-UHFFFAOYSA-N 305.305 2.235 10 10 DECE O=C1N(CC2CC2)[C@@H](c2ccc(O)c(O)c2)NC12CCCC2 178541957 FHLJDOVCKSUHKA-HNNXBMFYSA-N 302.374 2.251 10 10 DECE CN(Cc1cc(Cl)ccc1O)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361671005 HBEXVLLOXLSHSG-QWHCGFSZSA-N 317.838 2.443 10 10 DECE COc1cc(Cl)cc(CN[C@](C)(C(N)=O)C(C)C)c1O 312730089 HAPSIYXSIUWFDM-AWEZNQCLSA-N 300.786 2.044 10 10 DECE NCc1ccc(N2CCn3ccnc3C2)c(Br)c1 213055074 XCWUGBPESMRCEP-UHFFFAOYSA-N 307.195 2.125 10 10 DECE CN(C)CCCNc1ccc(N)c2c1C(=O)c1ccccc1C2=O 34065019 HSUXHVCSOLJVDP-UHFFFAOYSA-N 323.396 2.408 10 10 DECE N[C@H](CO)c1cc(Cl)c(Cl)c(Br)c1O 72199773 QIPXZSUYMAPRSQ-RXMQYKEDSA-N 300.967 2.454 10 10 DECE CCN(CCCO)c1ccc(CNC)c(Br)c1 233461897 MHJZJZTZIYTHKL-UHFFFAOYSA-N 301.228 2.377 10 10 DECE COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)cc(C)c2O)C1 271821293 NHTAMWSAWMFEIP-CQSZACIVSA-N 301.745 2.441 10 10 DECE CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)C(C)=O 808532020 GBUNILBCMNSUNB-UHFFFAOYSA-N 311.315 2.022 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 808503709 KXJJOZICMLPNMD-MRVPVSSYSA-N 319.140 2.462 10 10 DECE COCC(C)(C)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 819893155 FPAGHYWDBTZCAO-UHFFFAOYSA-N 318.461 2.424 10 10 DECE 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C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cscn1 852418221 RLRSUDGNIZUQLM-LBPRGKRZSA-N 318.446 2.176 10 10 DECE Cc1nc(=NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n(C)[nH]1 857178278 UIQAFGWBYPKRHW-UHFFFAOYSA-N 323.400 2.134 10 10 DECE CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CCC1(F)F 866835308 XSTVDKSGHIRVFE-LLVKDONJSA-N 305.346 2.199 10 10 DECE Fc1cc(CN[C@@H]2CCNC23CCC3)ccc1N1CCOCC1 863481514 FVJKKERWLIEJPV-QGZVFWFLSA-N 319.424 2.037 10 10 DECE COc1cc(Cl)cc(CNC2(c3nn[nH]n3)CCCC2)c1O 770668328 YNFOBPHPJCQHFM-UHFFFAOYSA-N 323.784 2.126 10 10 DECE Oc1ccc2ccncc2c1CN1CCO[C@@]2(CCCOC2)C1 795630317 GJEZQAYRTKLGAP-SFHVURJKSA-N 314.385 2.322 10 10 DECE O=C1Cc2c(C(=O)N3CCCc4cc(F)ccc43)ccnc2N1 1136296760 UQFSPGPOGZWVFS-UHFFFAOYSA-N 311.316 2.308 10 10 DECE COc1cccc(CN2CCN(c3cnccc3C)CC2)c1O 798961692 BTGXEEFHBFXFPS-UHFFFAOYSA-N 313.401 2.426 10 10 DECE CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cc(Cl)cc(F)c1O 793608508 JRRFKWVXEKTKTG-WCQYABFASA-N 319.804 2.432 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(OC)c1 1342457775 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228149528 ABLQHIGAYFWSLX-UHFFFAOYSA-N 324.266 2.440 10 10 DECE OC[C@H]1CC[C@H](NCc2cccc(Br)c2O)C1 1942375752 SKSMLISZZWOJJH-ONGXEEELSA-N 300.196 2.405 10 10 DECE Cc1cccc(CNC(=O)[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1O 1994450499 WAGTZWLXNVTDPL-STQMWFEESA-N 320.389 2.230 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1CCOC[C@@H]1F 2013769966 OLAQWPNJSDRDFB-WDEREUQCSA-N 304.159 2.371 10 10 DECE C[C@@H](O)[C@@H]1CCCN1c1ccc(CO)cc1Br 2018113698 XSMCOUPWYCOXKV-SKDRFNHKSA-N 300.196 2.291 10 10 DECE CN1C(=O)[C@@H](N)c2ccc(N3CCC=C(Br)C3)cc21 404422686 WLFSNGARTWATMG-ZDUSSCGKSA-N 322.206 2.152 10 10 DECE Oc1ccc(Br)cc1CN1C[C@H]2CCNC[C@@H]2C1 2049694071 QLUMTHPGOJXNAE-ZYHUDNBSSA-N 311.223 2.196 10 10 DECE C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1O 714359456 LCDWTGKSDVXWTJ-JQWIXIFHSA-N 301.383 2.149 10 10 DECE C[C@H]1C[C@@H](O)CN1c1ccc(CN)c(Br)c1F 384996744 OIUFAIMFYDVSKZ-IONNQARKSA-N 303.175 2.006 10 10 DECE CN[C@@H](C)c1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 723191605 IIYBFMNKHJDONV-DTWKUNHWSA-N 314.227 2.040 10 10 DECE 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10 10 DECE C=C1c2ccccc2C(=O)N1CC(=O)N1Cc2cccc(O)c2C1 1587927832 CFYZVTJGDLLHAB-UHFFFAOYSA-N 320.348 2.361 10 10 DECE C[C@H]1CN(/N=N/c2ccc3c(c2)OCC(=O)N3C)C[C@@H](C)O1 1860488012 ZEUBLGFALXCWSL-XKDANELUSA-N 304.350 2.150 10 10 DECE CO[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1F 1942642245 UIMVJGBPMYHAIH-RYUDHWBXSA-N 303.175 2.081 10 10 DECE COc1cc(Cl)cc(CNC[C@]2(F)C[C@H](CO)C2)c1O 1974379318 DOTCTEXMVMIEDE-KMHCFJFGSA-N 303.761 2.254 10 10 DECE CCN(c1cc(Br)c(CN)cc1F)C1CN(C)C1 2030283506 ROJUZRWDKCIJOC-UHFFFAOYSA-N 316.218 2.187 10 10 DECE Oc1cc(Br)ccc1CN1CCNCC(F)(F)C1 2032240081 KOHJUEZQADPQGS-UHFFFAOYSA-N 321.165 2.195 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c(Br)c1 2037415642 ACPLOSZYZCEXHP-GDNZZTSVSA-N 311.223 2.400 10 10 DECE CCCNCc1cc(F)c(N2CC([S@@](C)=O)C2)c(F)c1 2171952502 XDRNJKVVGASUIO-HXUWFJFHSA-N 302.390 2.032 10 10 DECE CCN(C)C1CN(c2ccc(CNC)cc2Br)C1 2050307986 NTOGSNYJVKPKRL-UHFFFAOYSA-N 312.255 2.309 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@]3(O)C2)c(Br)c1 2051367429 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Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(Cl)c1 840901656 LZZDUWIINCGKBY-JTNHKYCSSA-N 308.809 2.453 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@H](C2CC2)N1 846676883 KCWSOJCUFUQYPG-SJORKVTESA-N 314.429 2.418 10 10 DECE CN1CCC2(CC1)CN(Cc1cccc(Cl)c1O)CCO2 843431557 HPBVWVMWBPVOQY-UHFFFAOYSA-N 310.825 2.342 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1=O 919909034 NCNUQRLUTIVJRG-AWEZNQCLSA-N 313.401 2.183 10 10 DECE COC(=O)CN(C(=O)Cc1ccc(N)cc1)C1CCCCC1 852904011 FWSVRFAXLGJROV-UHFFFAOYSA-N 304.390 2.146 10 10 DECE CC(C)[C@H](N)CCNC(=O)NCCCSc1nccs1 851657911 QJQUWOJETGTRAZ-LLVKDONJSA-N 316.496 2.298 10 10 DECE C[C@H](N[C@H]1CCNC1=O)c1ccc(N2CCCCC2)c(F)c1 850483084 WOZZTSYBELHYGR-WFASDCNBSA-N 305.397 2.355 10 10 DECE CN(C)c1cc(F)c(CN2C[C@@H](O)CC(F)(F)C2)cc1F 862338157 LTLLKKZIFRJIFO-JTQLQIEISA-N 306.303 2.233 10 10 DECE CCC[C@@H](C)C(=O)NCCNC(=O)N[C@@H](C)c1ccccc1O 868646428 REYBQIVFURHCFE-OLZOCXBDSA-N 321.421 2.305 10 10 DECE CCOC(=O)[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 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CNc1cc(CNC(=O)N(C)Cc2ccccc2O)ccn1 1348263074 FIAOZTHUFNJDAP-UHFFFAOYSA-N 300.362 2.171 10 10 DECE CN1C[C@H]2[C@@H](NC(=O)NCc3cccc(Cl)c3O)CC[C@H]2C1 1348312892 YPGVNIVRTBMJMA-SCRDCRAPSA-N 323.824 2.185 10 10 DECE C[C@@H](OCc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O 1456310467 BMNBDXXVVDLRJD-LLVKDONJSA-N 319.332 2.458 10 10 DECE COc1cc(CNCC(=O)O)ccc1N1C[C@@H](C)C[C@H](C)C1 212646047 POFSQDRAAIMHJZ-STQMWFEESA-N 306.406 2.352 10 10 DECE C[C@@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)c1nccs1 1466321928 RPIMAZBWHOTRTN-JTQLQIEISA-N 306.387 2.359 10 10 DECE CO[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1472063156 DQSCUUKXQAZEAE-HNNXBMFYSA-N 305.305 2.241 10 10 DECE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCOC1 1566749622 HMKURJKDVJGNKW-ZYHUDNBSSA-N 304.350 2.394 10 10 DECE C[C@H](NC(=O)c1cc(F)cnc1O)c1ccc(N(C)C)cc1 1633315205 HWMJHVLSSCBZBB-JTQLQIEISA-N 303.337 2.483 10 10 DECE COC(=O)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 1587740798 QAMRNUJIZPLVPQ-UHFFFAOYSA-N 318.333 2.065 10 10 DECE O=[N+]([O-])c1cc(CO)c(NCc2c(O)cccc2O)cc1F 1652267243 LORNWFXRCTVJTE-UHFFFAOYSA-N 308.265 2.250 10 10 DECE C[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccccc1O 1587446911 BUJQEMGSEYBLDO-SNVBAGLBSA-N 312.325 2.328 10 10 DECE CC(C)(C)NCc1ccc(N2CCO[C@H](CO)C2)c(Cl)c1 167290069 JQKBJQJWNJWXQN-ZDUSSCGKSA-N 312.841 2.426 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](CO)[C@H](c2cccc(O)c2O)C1 382676184 RNEXCCXKLOMUJG-ZYHUDNBSSA-N 309.362 2.041 10 10 DECE N[C@H]1CC(CN2CCCc3ccc(Br)cc32)=C[C@@H]1O 2131479813 ZECXGVTULYNFNN-ZFWWWQNUSA-N 323.234 2.220 10 10 DECE NN[C@H](c1ccccc1O)c1ncsc1Br 1936973992 JHGDIHFSDBGWQV-MRVPVSSYSA-N 300.181 2.164 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151271162 BYPDEJWNJSORIK-UDZFHETQSA-N 315.822 2.017 10 10 DECE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1981510897 WKAYLTOMMWSCAR-KGLIPLIRSA-N 321.421 2.359 10 10 DECE Cc1cccc(CNC(=O)/C=C\CNC(=O)OC(C)(C)C)c1O 1994450860 BVBBKSVUANUYGY-TWGQIWQCSA-N 320.389 2.398 10 10 DECE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)CC(N)=O 2033937778 JIFMHPZSTFPNCW-BDAKNGLRSA-N 315.211 2.411 10 10 DECE CN(Cc1ccncn1)c1ccc(CN)c(Br)c1 396602296 XWGCNAOGTMXXSI-UHFFFAOYSA-N 307.195 2.334 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2ncnn2c1 2064243937 PIVGCYRQJMQPPT-UHFFFAOYSA-N 322.368 2.244 10 10 DECE COc1cccc(CNC(=O)C2C[C@H]3CC(O)C[C@H](C2)C3)c1O 2064943809 QTDRCTDWVKKIFQ-XOEAPDPESA-N 319.401 2.204 10 10 DECE CN([C@H]1CCCC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2175588980 ILODEANSPYOLGI-KBPBESRZSA-N 300.399 2.311 10 10 DECE C[C@H](O)c1ccc(N2CCN(C)[C@@H]3C[C@H]32)cc1Br 2049410315 ZBVSTXJNMPFPPA-CUOATXAZSA-N 311.223 2.395 10 10 DECE C[C@@H]1C[C@H]1N(C)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2052755887 XXAXWZSJBQRDSR-KXHDPYLZSA-N 311.179 2.279 10 10 DECE COc1cc(Cl)cc(CNC2(C(F)(F)F)COC2)c1O 2195344496 HVMBOQNSYHPCIN-UHFFFAOYSA-N 311.687 2.475 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1Cl 2191764570 WWXOAEFPIBAKHG-UHFFFAOYSA-N 311.794 2.330 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1Br 2061578853 GDSUSXCEUPJWLE-KNDHEWATSA-N 311.223 2.143 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Br)n[nH]2)CC1 2070727268 KQXMYPWSPIFNIX-ZETCQYMHSA-N 313.159 2.477 10 10 DECE CCn1ncc(Br)c1C(=O)NCc1ccc(N)cc1 2094275315 UAAZLJRIUVTCKZ-UHFFFAOYSA-N 323.194 2.178 10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@@H]2[C@@H](C)O)c1O 2220454216 QYFYITOVBSATCP-SOCHQFKDSA-N 316.195 2.022 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)Nc1ccc(O)c(N)c1 2236145629 ZURUUAKCEBAXQQ-VXNVDRBHSA-N 306.334 2.007 10 10 DECE CSc1ncc(CNC(=O)NCC(C)(C)CC(=O)O)s1 2284545264 XPJHCJAMYZYNGC-UHFFFAOYSA-N 317.436 2.165 10 10 DECE CSc1ncc(CNC(=O)C2(N)CC(C3CCC3)C2)s1 2284677562 QFPCHFUNBXYHRV-UHFFFAOYSA-N 311.476 2.389 10 10 DECE CSc1ncc(CN=c2[nH]nc(CNC(C)(C)C)o2)s1 2284675566 BGDJVRXGFUWISF-UHFFFAOYSA-N 313.452 2.170 10 10 DECE COC[C@H](C)N(C)c1ccc(C=CC(=O)OC)cc1[N+](=O)[O-] 2297555655 OMNIOFMEGOLYJM-NSHDSACASA-N 308.334 2.252 10 10 DECE COc1cccc(O)c1C(=O)N(C(C)=O)c1ccc(N)cc1 170248263 WKMSEOQRGONZLZ-UHFFFAOYSA-N 300.314 2.176 10 10 DECE COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 33377534 YBNLZBUAKSWHPM-LBTPYSACSA-N 323.395 2.370 10 10 DECE COCCN1CCC[C@H]1CN[C@@H](C)c1cc(OC)ccc1O 185329747 XMXADGXTUPJUPC-KBPBESRZSA-N 308.422 2.162 10 10 DECE COCCN(C[C@H](C)O)c1c(Cl)cc(OC)cc1OC 2368101850 XBEBJOFXDIAYJE-JTQLQIEISA-N 303.786 2.191 10 10 DECE CC(C)(C)OC(=O)N1CCc2cc(N3CCNCC3)ccc21 89209542 CGNIPFBHWHMTGN-UHFFFAOYSA-N 303.406 2.394 10 10 DECE CN1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccccc1 193148874 FYRDBXPSBCWXBQ-HOCLYGCPSA-N 312.369 2.273 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 90410745 OUVWMFXSNXSBTO-DZGCQCFKSA-N 304.438 2.207 10 10 DECE CCCOc1ccc(CN2CCNC(=O)[C@@H]2CCC)c(O)c1 93771716 YNTYSBKNAGKMNE-HNNXBMFYSA-N 306.406 2.282 10 10 DECE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3c(C)cccc32)c1 255595441 GBXWRSJYCHILIJ-SREVYHEPSA-N 321.380 2.352 10 10 DECE Oc1cc(F)c(Cl)cc1CNCCC1(O)CCOCC1 294566735 GEKASJWIERWOIE-UHFFFAOYSA-N 303.761 2.206 10 10 DECE CC(=O)C(=O)COC(=O)c1sccc1-n1c(C)ccc1C 808507431 MBFLZIIWRJQATA-UHFFFAOYSA-N 305.355 2.471 10 10 DECE C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C)S1(=O)=O 293813872 FHJPYAMLTFADHL-IUCAKERBSA-N 321.801 2.192 10 10 DECE C[C@@H]1CNC[C@H]1CCNCc1cc(Cl)cc([N+](=O)[O-])c1O 903974156 KIXLJFSVIUWUPH-NXEZZACHSA-N 313.785 2.289 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1 838456961 XZTCKAJQRFVPEK-UHFFFAOYSA-N 320.341 2.265 10 10 DECE CC(C)N1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O 835039623 HXIZABWGQFJSAW-SQRWCISFSA-N 301.434 2.365 10 10 DECE C[C@@H]1CCS(=O)(=O)CCN1C/C=C\c1ccc(N(C)C)cc1 835048682 KHLXSXAJYDPSII-FOSCPCJNSA-N 322.474 2.275 10 10 DECE CCNC(=O)N1CC[C@@H](NCc2c(O)cc(C)cc2Cl)C1 840909350 QPNOYAMNOJLBAQ-LLVKDONJSA-N 311.813 2.247 10 10 DECE CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCOC1 844777065 DKOISPJIJDIFNY-INIZCTEOSA-N 305.422 2.463 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](CC(F)(F)F)C1 857338480 JGJZRZNMJDTNSY-ZETCQYMHSA-N 323.242 2.030 10 10 DECE C[C@H](c1ccns1)N1C(=O)CN(Cc2ccccc2O)C1=O 863535441 DQQKUDODZNRERD-SNVBAGLBSA-N 317.370 2.374 10 10 DECE CSc1c(C(=O)NCc2ccc(N(C)C)cc2C)cnn1C 790647599 FZDKEWYGZMFBQF-UHFFFAOYSA-N 318.446 2.446 10 10 DECE CCOc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H](C)C1 790412148 YMKQATAORJMHQT-LLVKDONJSA-N 314.407 2.180 10 10 DECE CCN(Cc1cnnn1C)c1ccc(CN)c(Br)c1 1887051860 ORVWSOXTCNOPGX-UHFFFAOYSA-N 324.226 2.063 10 10 DECE CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCCCS1(=O)=O 694408821 OQEIGIWJUHVAFV-ZDUSSCGKSA-N 317.838 2.445 10 10 DECE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1c(F)cncc1F 1449207565 DBRURRNBURNKLC-MRVPVSSYSA-N 308.284 2.191 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[C@@H](C)COC 1449126967 VVVGPGZUJYAIMG-RYUDHWBXSA-N 300.395 2.413 10 10 DECE COCC(=O)N[C@@H]1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1700888412 YCYHFUNKERMQRE-JKSUJKDBSA-N 320.433 2.025 10 10 DECE CCOC(=O)c1ccccc1/N=N/[C@H](C(C)=O)C(=O)OCC 1616045525 CIYZJRJVCCMMKO-PHODEOQFSA-N 306.318 2.468 10 10 DECE COC(=O)c1cnc(SCC(=O)Nc2ccc(O)cc2)s1 1473034959 CKJVFXLOROHFCD-UHFFFAOYSA-N 324.383 2.366 10 10 DECE CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(N=NC(N)=O)cc1 1624159751 CKACFLRCQSNSGN-JSGCOSHPSA-N 318.377 2.472 10 10 DECE CC[C@@]1(CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1633292194 IQAIWJBOYOPIHP-HNNXBMFYSA-N 304.350 2.226 10 10 DECE O=C(NCc1c(O)cccc1O)C1(Cc2ccc(O)cc2)CC1 1635846962 DUHYPUZODNYWJW-UHFFFAOYSA-N 313.353 2.443 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(O)c(O)c1 1568737546 CLIKVIOMSUTBIC-UHFFFAOYSA-N 322.357 2.148 10 10 DECE Cn1nc(CNC(=O)c2c(F)ccc(O)c2O)c2ccccc21 1654477196 ZQOWYYWKCZAWMU-UHFFFAOYSA-N 315.304 2.054 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCN=[N+]=[N-])[C@@H]2C[C@@H]21 1902970205 WKYFBUJHOMWTCK-SRVKXCTJSA-N 323.397 2.449 10 10 DECE O=C1Nc2cc(N3CCC[C@@H]4C[C@@H]43)c(Br)cc2[C@@H]1O 1916853463 KJLZHIOHFKNHOM-RESLBDFXSA-N 323.190 2.423 10 10 DECE Oc1ccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1O 1939380633 SGUJWMAJKLGALM-APWZRJJASA-N 310.397 2.462 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cc(O)c(O)c(O)c1 1952081863 UOEKKWICSWSSDV-LLVKDONJSA-N 323.345 2.445 10 10 DECE 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NCc1cc(F)c(N2CCN(CC(F)F)CC2)cc1Cl 2177382848 GDXQOACTXPHIDG-UHFFFAOYSA-N 307.747 2.325 10 10 DECE Oc1c(Br)cc(Cl)cc1CNCc1nc[nH]n1 708192904 RXJWVMGUJTWHRL-UHFFFAOYSA-N 317.574 2.216 10 10 DECE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CS[C@@H](C(F)(F)F)C1 2189217630 OMDAGLZBNDCNHP-APPZFPTMSA-N 312.317 2.256 10 10 DECE OC[C@@H]1C[C@H](NCc2cccc(Br)c2O)[C@H]2C[C@H]21 2048008047 GNDQUUNEDGCYJL-ZPFDUUQYSA-N 312.207 2.261 10 10 DECE NCc1ccc(N2CC[C@@H](O)[C@@H]2C2CC2)c(Br)c1 2067013328 SQKCFZZWADZMNA-KGLIPLIRSA-N 311.223 2.257 10 10 DECE CO[C@@H]1C[C@H](CF)N(c2ccc(CN)c(Br)c2)C1 2069980241 HVMDGSBYUBFZIN-VXGBXAGGSA-N 317.202 2.471 10 10 DECE CN1CCc2cc([C@@H](N)c3n[nH]cc3Br)ccc21 2070726907 GTPCVEJXPFHVEK-GFCCVEGCSA-N 307.195 2.213 10 10 DECE OC[C@@H](F)[C@H]1C[C@@H](NCc2ccc(Br)cc2O)C1 2078429574 HHLFREJTTDVPOE-ADEWGFFLSA-N 318.186 2.353 10 10 DECE CCN(c1ccc(CN)c(Cl)c1)[C@@H](C)CS(C)(=O)=O 2114031836 OOHCKUOIXPMNIJ-JTQLQIEISA-N 304.843 2.058 10 10 DECE CNCc1ccc(N2CC(CCCO)C2)cc1Br 2222860743 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320.433 2.407 10 10 DECE C[C@@H](c1cnn(C)c1)N(C)Cc1ccc(N2CCOCC2)cc1 180985924 NUZVNKGSGVUSDI-HNNXBMFYSA-N 314.433 2.450 10 10 DECE Cc1ccc([C@@H](C)NCCNC(=O)c2ccccc2O)c(O)c1 185301562 GMCWYMVHCRJHMH-CYBMUJFWSA-N 314.385 2.487 10 10 DECE Cc1cnn(C[C@H]2CN(Cc3cccc(C)c3O)CCO2)c1 180129340 QYQLVLYSIXARFJ-MRXNPFEDSA-N 301.390 2.107 10 10 DECE COc1cccc([S@](=O)CC(=O)Nc2ccc(N)cc2)c1 40963470 WWENBQCFTCZYQH-NRFANRHFSA-N 304.371 2.024 10 10 DECE CCCCCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1 242875669 GIURXHWEPWRNCX-UHFFFAOYSA-N 319.449 2.124 10 10 DECE O=C1Cc2cc(N3CCNCC3)ccc2N1Cc1ccccc1 259435007 KOKFWJOXTYUYRE-UHFFFAOYSA-N 307.397 2.186 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1cccn(C)c1=O 264258992 SSFOCFYTWANBOQ-UHFFFAOYSA-N 300.358 2.143 10 10 DECE COC1CN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 380650568 XYNQJHKPLJLAFI-HYXAFXHYSA-N 312.163 2.382 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([N+](=O)[O-])cn1 819760739 IEQUFIXCAOHWOD-UHFFFAOYSA-N 322.317 2.111 10 10 DECE CON1CCC(CC(=O)NCc2ccc(N(C)C)cc2C)CC1 827955277 CTYUHHORZIIPHS-UHFFFAOYSA-N 319.449 2.341 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCOC2(C)C)c1O 827707509 QHDOIVCIPRRLGV-LLVKDONJSA-N 310.350 2.214 10 10 DECE COc1cc(Cl)cc(CN(CCO)[C@H]2CCO[C@H]2C)c1O 825130252 QQULGZMDNBVHAM-GWCFXTLKSA-N 315.797 2.026 10 10 DECE CN(C/C=C\c1ccc(N(C)C)cc1)CC1(O)CCOCC1 835046407 WIRBQHYTVSNMCG-PLNGDYQASA-N 304.434 2.239 10 10 DECE Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1C 741677564 CNLQKYPLIZDLQF-UHFFFAOYSA-N 313.405 2.044 10 10 DECE CC[C@@H](C(=O)O)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 844929563 LAPHIBUCZLLTRB-JYKYSHPRSA-N 322.317 2.080 10 10 DECE O=C(NCc1ccccc1O)N[C@@H](C1CC1)[C@H]1CCCOC1 915525749 QSCAXDBXUBKSKL-HOCLYGCPSA-N 304.390 2.397 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C3CC3)C2)cc1 849225488 VNARJZROOGWPBB-GXTWGEPZSA-N 303.406 2.372 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 922724475 KBNHGPNVBSLKLX-ZCMCUDBQSA-N 302.418 2.159 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CNC[C@H]2C)c1 925794827 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CNCc1cnc(SCCNC(=O)OC(C)(C)C)s1 1881258019 HTBYRDUEBCOHII-UHFFFAOYSA-N 303.453 2.479 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1895875880 ODKZPCITTPPLEW-JQWIXIFHSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1897997471 PBYJFGUVNBWHII-WDEREUQCSA-N 323.397 2.496 10 10 DECE COc1ccccc1C[C@H](C)NC(=O)c1cccc(O)c1O 1156307160 QOBUCPGWCOCRKT-NSHDSACASA-N 301.342 2.467 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 1885563259 RQEGERQJHAYEIM-VIFPVBQESA-N 315.399 2.065 10 10 DECE CCC1(CC)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329422565 ORAIRSNRGATZLY-UHFFFAOYSA-N 316.401 2.273 10 10 DECE C[C@H](O)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)cc1Cl 694130114 DUDRGDKXLJRHFZ-CMPLNLGQSA-N 317.838 2.407 10 10 DECE Cc1cc(N(C)C)ccc1CN1C[C@@H](O)CC2(CCOCC2)C1 1338309353 MBDMCNQHGRJWNE-SFHVURJKSA-N 318.461 2.424 10 10 DECE CCNCc1ccc(N2CC[S@@](=O)[C@H](C)C2)c(Cl)c1 2115330472 ZOOWMQLXKZLREI-NSPYISDASA-N 300.855 2.407 10 10 DECE O=C(/C=C\c1cnc2ccccc2n1)NCc1c(O)cccc1O 1456234310 CWGPWLRNTQYSPW-HJWRWDBZSA-N 321.336 2.371 10 10 DECE COc1ccc2c(c1)CC[C@H](NC(=O)c1cccc(O)c1O)C2 1546126872 HEWVGDUHTRYMPP-ZDUSSCGKSA-N 313.353 2.394 10 10 DECE O=C(Cc1cn2cc(F)ccc2n1)NCc1c(O)cccc1F 1471975752 GBSODANPLDKXPY-UHFFFAOYSA-N 317.295 2.177 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2ocnc2C)cc1C 1662189225 BBLNRFCURUFLBO-LBPRGKRZSA-N 317.389 2.208 10 10 DECE CC(C)CN(CC(N)=O)c1ccc(CN)cc1C(F)(F)F 163703195 DCPXNHFSLXYTCO-UHFFFAOYSA-N 303.328 2.112 10 10 DECE CC[C@@H](NCCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 159241083 KQPDJZCFDBBWNT-QGZVFWFLSA-N 319.449 2.042 10 10 DECE CC(=O)C(=O)[C@]1(O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 1919136301 MCSUSRQIHPPBJJ-KRWDZBQOSA-N 319.357 2.326 10 10 DECE NCc1ccc(N2CCC[C@H](O)C2)c(F)c1Br 231839082 PWZZWODIOOUCHC-VIFPVBQESA-N 303.175 2.008 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCN(CCOc2ccc(N)cc2)C1 1951320957 ZVVYGYLUTDYFEZ-CQSZACIVSA-N 321.421 2.247 10 10 DECE CC(C)(C)OC(=O)N[C@H](CCCN)Cc1ccc(O)c(O)c1 1951701972 IDXRKMZSDXEXSC-GFCCVEGCSA-N 310.394 2.273 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@]1(C)COCC(=O)N1 1952821850 SUBJAWUUQASYMN-INIZCTEOSA-N 322.361 2.101 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)[C@H]1C2 1985095985 LTOVSXGFJXLBQD-JRPNMDOOSA-N 323.397 2.449 10 10 DECE CC(C(=O)N1CC[C@@H](N=[N+]=[N-])C1)=C1CN(C(=O)OC(C)(C)C)C1 1985101451 SOTBGSZGNQDBBG-GFCCVEGCSA-N 321.381 2.465 10 10 DECE O=S1(=O)CC[C@]2(CCCN2Cc2ccc(Cl)cc2O)C1 2158463052 TVFNDKMHOLNZNA-CQSZACIVSA-N 315.822 2.199 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)C1CCC(CO)CC1 2157773291 XXHLQJJHVCVSBA-UHFFFAOYSA-N 319.810 2.338 10 10 DECE O=C(Nc1ccc(O)c(O)c1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 2064603092 CJOFJEMGNRXOPB-WISYIIOYSA-N 317.263 2.392 10 10 DECE CN(C)C(=O)c1ccnn1Cc1c(O)cccc1Br 2069902229 JQFRGOZZCVZJRO-UHFFFAOYSA-N 324.178 2.101 10 10 DECE CC[C@@H](c1cc(Br)ccc1O)N(OC)C1CNC1 2050142285 QVAIZJQOUIRDLJ-LBPRGKRZSA-N 315.211 2.441 10 10 DECE CC=C1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 2058791772 WUGNFHTUSLWIKR-GFCCVEGCSA-N 308.179 2.167 10 10 DECE CC[C@@]1(NCc2cc(Cl)cc(Cl)c2O)CCNC1=O 2273268720 GQJHOGQHODTSJY-CYBMUJFWSA-N 303.189 2.457 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCCCN1CCCCC1 2307987511 NAQZOXAAJHJLJR-UHFFFAOYSA-N 304.390 2.103 10 10 DECE CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=CNCc1ccccc1 2313683487 QMWJYIGRKXBBPN-UHFFFAOYSA-N 321.384 2.490 10 10 DECE CCCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62093366 XWJYNJMMBGWURM-UHFFFAOYSA-N 315.417 2.410 10 10 DECE C[C@H](NCc1cccnc1-n1cncn1)c1cc(F)ccc1O 185025826 PIDUOZHVLFADOP-NSHDSACASA-N 313.336 2.358 10 10 DECE C[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCO 190238342 TXWSPQBKXJOBLW-AWEZNQCLSA-N 300.402 2.044 10 10 DECE Cn1cc(-c2oncc2C(=O)N2CCc3c(F)cccc32)cn1 194379294 DHRDQVUURPAUOM-UHFFFAOYSA-N 312.304 2.417 10 10 DECE NCc1ccc(N2CCC[C@H](CO)C2)c(F)c1Br 231839160 SWNPTNJSTPNTCS-VIFPVBQESA-N 317.202 2.256 10 10 DECE Cc1cc(Br)c(O)c(CN2CC[C@@](F)(CO)C2)c1 802660203 DVTJBQKMYKTOQL-ZDUSSCGKSA-N 318.186 2.369 10 10 DECE CC(=O)C(=O)COC(=O)c1sc(-c2cccs2)nc1C 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RXZOBAWZJCDUSX-OIBJUYFYSA-N 306.236 2.365 10 10 DECE CCN(C)c1ccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 852652810 FMNRPKJWDSCWCU-KRWDZBQOSA-N 318.465 2.330 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@H]1CC1(F)F 857230346 RAWXOOWHPPPQQS-LLVKDONJSA-N 310.300 2.202 10 10 DECE COc1cc(C)cc(CN2CC[C@@H](c3nccn3C)C2)c1O 755791208 PJFLIZWBIKIXMD-CYBMUJFWSA-N 301.390 2.432 10 10 DECE CCc1cccc(CN[C@H](C[C@H]2CCCOC2)C(=O)OC)c1O 862515961 GWJHUPHSVPJRIE-CZUORRHYSA-N 321.417 2.403 10 10 DECE CC1CCN(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 868097631 NDPGFFFVZWJJBJ-AWEZNQCLSA-N 305.422 2.484 10 10 DECE O=C(NCCN1CC=CCC1)c1cc2cc(O)c(O)cc2s1 897620344 DBXAXMNQCNIUHK-UHFFFAOYSA-N 318.398 2.304 10 10 DECE c1ccc(COc2ccc(N3CCO[C@@H]4CNC[C@H]43)cc2)cc1 1899858431 GNVARSSDMXDPNG-RTBURBONSA-N 310.397 2.443 10 10 DECE CC(C)(C)OC(=O)N(O)CCC(=O)NCCCCN=[N+]=[N-] 1885561860 XFSCUAICIKMCLK-UHFFFAOYSA-N 301.347 2.210 10 10 DECE O=C(Cc1ccn(-c2ccccc2)n1)NCc1c(O)cccc1O 1304053219 DXBPHVZYCBJYKQ-UHFFFAOYSA-N 323.352 2.142 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@H](C)NC(=O)OCc1ccccc1 1887718570 ZMJQDYAEOCLJMY-LBPRGKRZSA-N 319.365 2.460 10 10 DECE C[C@H](NCCOCCCO)c1cc(Br)ccc1O 1325888397 RWBHFRQPBLDDOC-JTQLQIEISA-N 318.211 2.204 10 10 DECE COc1cc(C(=O)NCc2ccc(O)cc2O)cc(OC)c1C 1299570645 LGTXRUVPZKWEIB-UHFFFAOYSA-N 317.341 2.353 10 10 DECE Cc1cc(CNC(=O)c2cc(O)n(C)n2)c(C)n1-c1ccccc1 1454622056 BVGBFVSZBMCHQV-UHFFFAOYSA-N 324.384 2.463 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cnc1O 1294870303 UWZSUSKQVHJQNG-UHFFFAOYSA-N 316.332 2.441 10 10 DECE O=C(NCc1c(O)cccc1O)c1cncc(C(F)(F)F)c1 1456326128 WVANCNWNFJNYDS-UHFFFAOYSA-N 312.247 2.442 10 10 DECE CCc1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865768423 MDEWXUYCJITCBE-UHFFFAOYSA-N 308.428 2.438 10 10 DECE Cn1nc(Br)cc1NC(=O)c1cc(O)cs1 1556722917 IVZFDBBGSNKIQY-UHFFFAOYSA-N 302.153 2.202 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cccnc1C(F)(F)F 1630302278 WGFQEDPHGOIBQK-UHFFFAOYSA-N 312.247 2.442 10 10 DECE O=[N+]([O-])c1c(NCc2c(O)cccc2O)nc2sccn12 1651452274 VBPJQOABUWBLNQ-UHFFFAOYSA-N 306.303 2.327 10 10 DECE CN1CCO[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1 105470908 BSJQSCHWJZODEE-LLVKDONJSA-N 305.205 2.119 10 10 DECE CC(=O)c1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1 1654444579 IKIMKJKYSUEMSL-UHFFFAOYSA-N 317.316 2.412 10 10 DECE Cn1ncc(C(=O)N2CCC(N=[N+]=[N-])CC2)c1Br 1912164104 SAUJTCMEVXAEIU-UHFFFAOYSA-N 313.159 2.098 10 10 DECE [N-]=[N+]=N[C@@H]1CCN(C(=O)Cc2cnn(Cc3ccccc3)c2)C1 1912171168 HCRGXDLEDHNRQN-OAHLLOKOSA-N 310.361 2.385 10 10 DECE CC(C)CNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1699348011 IYKYPXSDNRJZGW-XWQBDTFCSA-N 317.393 2.381 10 10 DECE COc1ccc(C(=O)C(=O)c2ccc(OCCO)cc2)cc1 5359005 KOQVOKXOQWPPKE-UHFFFAOYSA-N 300.310 2.132 10 10 DECE Nc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1 168789024 ICIGVRMATRXAQR-KRWDZBQOSA-N 311.385 2.419 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@](F)(CO)C2)cc1Br 1917136257 OBLLSWSPEMCEDS-ZANVPECISA-N 318.186 2.413 10 10 DECE C[C@H](CC(=O)O)N(C)Cc1ccc(Br)cc1O 1926886242 LGYWLEVKLIAMEA-MRVPVSSYSA-N 302.168 2.450 10 10 DECE COc1cccc(O)c1[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C 1952457417 FXLPMVNVQZEJIB-QWRGUYRKSA-N 308.378 2.410 10 10 DECE CC(C)(C)OC(=O)NCC1CC(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 1985100939 LMTABFVGVSFDOA-MCIGGMRASA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)Nc1ccc(N)cc1 1986713649 VAJYMNHTGPPOQU-QWHCGFSZSA-N 320.393 2.446 10 10 DECE C[C@H]1CCS[C@@H]1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2150876812 LNCUMCVPQMPABK-SMDDNHRTSA-N 314.476 2.172 10 10 DECE C[C@H](Nc1c(N)cccc1Br)[C@@H]1COCCO1 1997482193 PMDQGIDHJNDUCY-KWQFWETISA-N 301.184 2.247 10 10 DECE C[C@H](N)c1ccc(N(C)[C@H](C)CC(N)=O)c(Br)c1 2033933498 LOKGGLBEFDOITH-BDAKNGLRSA-N 314.227 2.169 10 10 DECE Oc1c(F)cc(F)cc1CNCc1n[nH]cc1Br 708438595 XAYGPYMZDQLYDG-UHFFFAOYSA-N 318.121 2.446 10 10 DECE COCCO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177390399 VUWUZJALRAIPPG-NSHDSACASA-N 302.777 2.180 10 10 DECE CC(C)Cc1nc(=NC(=O)N2Cc3cccc(O)c3C2)s[nH]1 2065236275 ACBFVVSCXYYUSG-UHFFFAOYSA-N 318.402 2.412 10 10 DECE NC[C@@]12CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]1CCO2 2175183015 OWGQPFFSRQHPQJ-QMTHXVAHSA-N 317.216 2.249 10 10 DECE Oc1ccc(Br)cc1CN1CCCCC12CNC2 1235101965 FZDXYSPRURPMFN-UHFFFAOYSA-N 311.223 2.483 10 10 DECE COc1ccc([C@@H](C2CCC2)n2nc(C)c(N)c2N)c(O)c1 2079969331 BCJRPYKDKLNZMF-OAHLLOKOSA-N 302.378 2.460 10 10 DECE CNCc1ccc(N(CCS(C)(=O)=O)C(C)C)cc1Cl 2170181625 VIUAYHGYRFGPAZ-UHFFFAOYSA-N 318.870 2.319 10 10 DECE NCc1ccc(N2CCC23CC(CO)C3)c(Br)c1 2042663676 CQVUWOMAACATJQ-UHFFFAOYSA-N 311.223 2.259 10 10 DECE CNCc1ccc(N2C[C@@H]3COCC[C@H]32)cc1Br 2073010472 ZYBDVSJWHIZZQG-BXUZGUMPSA-N 311.223 2.394 10 10 DECE C[C@H](N)c1ccc(N2CCC23CN(C)C3)cc1Br 2222702566 QDWQSRFYIBMXOH-JTQLQIEISA-N 310.239 2.363 10 10 DECE COc1ccc(Br)c(CNCC[C@H]2CCO2)c1O 2264019383 JGDMYNCXBQJFDY-VIFPVBQESA-N 316.195 2.432 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2cccn2)nc1 2307987424 BHSGCTDJBQUYDH-UHFFFAOYSA-N 322.324 2.330 10 10 DECE Cc1ccc(CNC(=O)[C@@H]2CCOC2)c(O)c1Br 2327593329 AZFSEGLBTWGNHW-SNVBAGLBSA-N 314.179 2.116 10 10 DECE CC[C@H](C)[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 178724726 INSZTQVEIGKQRB-WMLDXEAASA-N 319.449 2.107 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)c1ccccc1 35309344 VIOYTVJYNVDXOE-NSHDSACASA-N 304.371 2.070 10 10 DECE CN(C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 186798631 LSLWYPALTRAHKE-AWEZNQCLSA-N 300.358 2.131 10 10 DECE Cc1nc(CN(C)[C@@H](C)C(=O)Nc2ccc(N)cc2)cs1 44595019 ZVUBPEFOFZKJEM-JTQLQIEISA-N 304.419 2.493 10 10 DECE COc1cc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)cc1C 191432538 ZSQGOZCOEJQUEQ-CYBMUJFWSA-N 305.296 2.208 10 10 DECE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)c(F)c1 811519339 VCPHXEPEQQXWOK-BFYDXBDKSA-N 320.408 2.008 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(O)n2)c1 815835466 UTSDFRNBNFHANG-JTQLQIEISA-N 302.330 2.301 10 10 DECE COc1ccc(N2CCCN(C[C@@]3(C)CCNC3)CC2)cc1 843060906 RCQQCMWRSSALJC-SFHVURJKSA-N 303.450 2.207 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@@H]2CCS[C@H](C)C2)c1 918746338 WAFIAEUFUQKPEK-ZYHUDNBSSA-N 310.419 2.484 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](C)C3)C2)cc1 849417353 PLAXUNSGMOYRLY-ZIAGYGMSSA-N 303.406 2.325 10 10 DECE CCc1cccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O 848889513 KGQIHGOIVQJVEY-JKSUJKDBSA-N 302.418 2.445 10 10 DECE C[C@H]1CCNC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 841709772 MIMXGMUAALCCAP-WMLDXEAASA-N 316.449 2.084 10 10 DECE C[C@@H]1NC[C@H](C)N(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C 923436191 OJOQONUQNOZAGG-HRCADAONSA-N 303.450 2.094 10 10 DECE C[C@H](NC(=O)NCc1cc(N(C)C)ccn1)c1ccccc1O 924673449 JEGUAUNIGDPLRG-LBPRGKRZSA-N 314.389 2.414 10 10 DECE CC(=O)c1cc(F)cc(CN(C)[C@@H](CN)C(F)(F)F)c1O 852762756 VRFXRHDPCOWEEA-NSHDSACASA-N 308.275 2.055 10 10 DECE COc1cccc(CNCC2(CC(N)=O)CCCCC2)c1O 850412381 DTKGEFUNDNPPSJ-UHFFFAOYSA-N 306.406 2.316 10 10 DECE CN(C)c1cnn(C2CCN(C(=O)c3cc(O)cs3)CC2)c1 854652654 RTUBDRWLIDGSRS-UHFFFAOYSA-N 320.418 2.194 10 10 DECE CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(C)ccc1O 763477154 CSXMZQRNXYCPNI-INIZCTEOSA-N 314.385 2.360 10 10 DECE C[C@H](NC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1O 868626633 KKSXLEKDPKHPLE-QWRGUYRKSA-N 300.362 2.033 10 10 DECE COC(=O)c1cc(OCc2ncc(C)cn2)ccc1N(C)C 865395524 UCVKYGPLCDEAKU-UHFFFAOYSA-N 301.346 2.217 10 10 DECE C[C@H](NC1CN(c2ccncn2)C1)c1cc(Cl)ccc1O 866496612 SWBODRDKGSPOAC-JTQLQIEISA-N 304.781 2.375 10 10 DECE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)cc1 931505548 OLBQMNQAVBDSJY-JEDBISTDSA-N 316.445 2.257 10 10 DECE CC(C)Oc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1C 761996502 WJWAFNQAMNXOOW-NSHDSACASA-N 314.407 2.320 10 10 DECE OC1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 877093490 IKPFBJGQHADYAR-FGTMMUONSA-N 302.418 2.057 10 10 DECE COc1cc(NS(=O)(=O)c2ccc(N(C)C)cc2)ccc1O 797820372 UQTQBWNREBOYCQ-UHFFFAOYSA-N 322.386 2.268 10 10 DECE Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(O)c1O 1153797870 GPZCCCYQMYXIQH-UHFFFAOYSA-N 302.286 2.244 10 10 DECE CCN(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)NC)cc1 1308003117 RGQFMUCFJGNOKF-QGZVFWFLSA-N 318.465 2.426 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 1151520233 PFVZJOFWLSQGOL-MDASCCDHSA-N 309.365 2.485 10 10 DECE CNCc1ccc(N2CC[C@@H](N3CCC3)C2)c(Br)c1 702260437 ZUZKSQRKCZNDAH-CYBMUJFWSA-N 324.266 2.453 10 10 DECE CCCc1[nH]nc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] 1454820596 SQLSIQUBJHEVAP-VIFPVBQESA-N 318.333 2.467 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2OCC3)cc1 1558066670 AAJHGLNBIJFMSX-DOMZBBRYSA-N 302.334 2.290 10 10 DECE COc1cc(OC)cc(C(=O)NCc2ccc(O)cc2O)c1 1638351895 HLGGOJSHSTVSAN-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 1649351300 CHRKXQNCQMNASG-UHFFFAOYSA-N 314.345 2.372 10 10 DECE CC[C@@H](OC)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1733239692 WYVQUVAFTJUKBY-OAHLLOKOSA-N 320.433 2.167 10 10 DECE O=C(COc1ccccc1Cl)NCc1c(O)cccc1O 1645360553 BYEJJIZEYVWECJ-UHFFFAOYSA-N 307.733 2.446 10 10 DECE Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c(C)n1-c1ccccn1 160601580 HUHAIFRCIKXXBD-IYBDPMFKSA-N 324.428 2.456 10 10 DECE CCN1CCN([C@H]2CCN(Cc3cc(C)cc(C)c3O)C2)CC1 164302598 NUCHMWONTCKDTJ-SFHVURJKSA-N 317.477 2.221 10 10 DECE CC(C)(C)NCc1ccc(N2CCOC[C@H]2CO)c(Cl)c1 168328786 VBRVYKIIXQDNGP-CYBMUJFWSA-N 312.841 2.426 10 10 DECE CC(C)(C)OC(=O)N1CC(F)(CNCc2ccccc2O)C1 1928735495 KXSWADCAURRYRR-UHFFFAOYSA-N 310.369 2.441 10 10 DECE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1c1c(O)cc(O)cc1O 1951968453 LPPVLFOELCONDA-JTQLQIEISA-N 309.318 2.054 10 10 DECE C[C@H]1CN(Cc2cc(N)ccc2O)CCN1C(=O)OC(C)(C)C 1977887641 GKLUXMMMDOYIMT-LBPRGKRZSA-N 321.421 2.416 10 10 DECE COc1ccc(CNC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009027 NOXXNMBYRBFHLT-TZMCWYRMSA-N 322.405 2.404 10 10 DECE OCc1ccc(N2C[C@H]3C[C@H]2CC[C@@H]3O)c(Br)c1 2028281085 TYZFCMACYLGRGN-GYSYKLTISA-N 312.207 2.291 10 10 DECE CN(Cc1cc(Cl)ccc1O)[C@H]1CCCS(=O)(=O)CC1 694195744 JUOFQGJCGDSDOZ-ZDUSSCGKSA-N 317.838 2.445 10 10 DECE CC[C@@H]1CN(c2ccc(CNC)c(Br)c2)C[C@@H]1O 399980160 XDKITPIGIZISKG-YGRLFVJLSA-N 313.239 2.376 10 10 DECE COCC[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177383530 NUSHDYCYDKVSLU-NSHDSACASA-N 302.777 2.180 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2203361443 AAAOGHYLBCIERZ-GHMZBOCLSA-N 317.838 2.473 10 10 DECE CC[C@](C)(C(=O)NCc1cnc(SC)s1)C(N)=S 2257106601 VIOKUCCFJCMMQA-NSHDSACASA-N 303.478 2.184 10 10 DECE O=C(O)[C@@H]1[C@@H]2C[C@H]1N(Cc1cc(Br)ccc1O)C2 2311843681 YDJFOPNOKBIVAR-HLUHBDAQSA-N 312.163 2.060 10 10 DECE C[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1O 21505426 VGGPDPWZJKKORT-WCQYABFASA-N 305.399 2.383 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@H]2COc3ccccc32)c1 114592816 SXTACOIVEOXDGB-AWEZNQCLSA-N 314.341 2.334 10 10 DECE COc1ccc(O)c(CNC(=O)N[C@H](C)c2cnn(C)c2C)c1 172069651 CTNLEDHFPYIWDE-SNVBAGLBSA-N 318.377 2.003 10 10 DECE Nc1ccc(OCCS(=O)(=O)Nc2ccccc2F)cc1 70490502 KMGNLDDVJRFPSM-UHFFFAOYSA-N 310.350 2.229 10 10 DECE CNS(=O)(=O)c1ccccc1N[C@H](C)c1ccccc1O 37158670 JOBTVGSDCLVFJL-LLVKDONJSA-N 306.387 2.473 10 10 DECE Nc1ccc(OCCS(=O)(=O)Nc2ccc(F)cc2)cc1 70490500 AMYJIAVLODMMBL-UHFFFAOYSA-N 310.350 2.229 10 10 DECE Cc1c(C(=O)NCc2ccc(N(C)C)cc2)nnn1C(C)C 292059492 UJFCYSKHHCCFLX-UHFFFAOYSA-N 301.394 2.163 10 10 DECE CC(=O)C(=O)COC(=O)Cc1cccc(Br)c1C 808540628 ZAFLSDFLBUDUBP-UHFFFAOYSA-N 313.147 2.001 10 10 DECE C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc2c(cc1O)CCCC2 818362004 NLNHCLNIPKETEV-NHYWBVRUSA-N 316.401 2.069 10 10 DECE Cc1nocc1CN(C)Cc1ccc(N2CCOCC2)cc1 816482623 NBICQZCPGVGDKH-UHFFFAOYSA-N 301.390 2.452 10 10 DECE COc1cc(O)c(CN2CCC[C@@]3(CCOC3)C2)cc1OC 825133306 CNAMPMNGJRYPBJ-QGZVFWFLSA-N 307.390 2.412 10 10 DECE CCOc1cccc(CN2CC[C@H](CN3CCOC3=O)C2)c1O 824451231 PEEJHEFZPDBZAE-ZDUSSCGKSA-N 320.389 2.065 10 10 DECE Cc1nccn1C[C@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1 588405783 VGVMWORMQMPNGG-TXNVCOODSA-N 315.373 2.068 10 10 DECE Fc1cc(CN2CC3(CCOCC3)C2)ccc1N1CCOCC1 839140173 BGWBRKSVXVEPKW-UHFFFAOYSA-N 320.408 2.275 10 10 DECE COC(=O)/C=C/c1ccc(N(C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 848792154 WKFBQPGMHCAFHV-VUQUXZKVSA-N 320.345 2.131 10 10 DECE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC/C=C/CN 841996074 LZSPESXQPHTKJU-ONEGZZNKSA-N 316.449 2.333 10 10 DECE COc1ccc(N2CCC(N[C@@H]3CCCCNC3)CC2)cc1 841088595 ATBHYTPEJZHEOF-MRXNPFEDSA-N 303.450 2.396 10 10 DECE Nc1ccc(CC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 848441229 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2.418 10 10 DECE O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1621422140 NASVCVMPDAPNIU-ZIAGYGMSSA-N 317.385 2.391 10 10 DECE O=C(COc1cc(F)cc(F)c1)NCc1ccc(O)cc1O 1630302250 UOMFOPJMBRKCHC-UHFFFAOYSA-N 309.268 2.071 10 10 DECE C[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1O 1587447327 PMVWEIITTCHIPQ-GFCCVEGCSA-N 312.369 2.301 10 10 DECE CCCN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1675054959 UPQHGSOCSLRRDO-LLVKDONJSA-N 305.382 2.309 10 10 DECE Cc1ccc(-n2[nH]c(C(=O)Nc3ccc(N)cc3)cc2=O)cc1 160435750 OPTXFFTZPQGGKX-UHFFFAOYSA-N 308.341 2.309 10 10 DECE CCCC(=O)Nc1ccc(O)c([C@@H](C)NCC[S@@](C)=O)c1 168779680 LHUZILKUBSERDL-FIKIJFGZSA-N 312.435 2.160 10 10 DECE CC(C)(C)OC(=O)NC12CC(C(=O)N3CC[C@H](N=[N+]=[N-])C3)(C1)C2 1985093704 DAHIVDLOUQMGIB-ISAOAKOHSA-N 321.381 2.345 10 10 DECE CO[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1F 2029813913 NKFDFTSRDILVGZ-MNOVXSKESA-N 322.149 2.463 10 10 DECE C[C@@H](O)c1ccc(N2CC(N3CCC3)C2)c(Br)c1 2034795534 QMGXUOPELVWREQ-SNVBAGLBSA-N 311.223 2.397 10 10 DECE Cc1cc(C(=O)NC2CC2)n(Cc2cccc(Cl)c2O)n1 2070086247 BPKOBRHGQKMCTI-UHFFFAOYSA-N 305.765 2.491 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H]2CCNC[C@@H]21 2185530446 UKZXDXHMRCCUPE-STQMWFEESA-N 317.216 2.262 10 10 DECE NCc1cc(F)c(N2CC[C@H]3COC[C@H]32)cc1Br 2077843245 YXVYNHZWCWANFX-ISVAXAHUSA-N 315.186 2.272 10 10 DECE O=C(O)[C@H]1C=CCCN1Cc1c(O)cccc1Br 2081088379 GNIIMLPGIIMGRR-LLVKDONJSA-N 312.163 2.370 10 10 DECE COCCNCc1cnc(SC[C@@H]2CC[C@H]2OC)s1 2230524083 OBUHKBOFTZSCMU-CMPLNLGQSA-N 302.465 2.396 10 10 DECE CC[C@H](NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C)C(=O)O 2297505996 PYFYJWOIQJWQMC-HNNXBMFYSA-N 315.373 2.363 10 10 DECE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3ccccc32)c1 491684053 CKUAYECHKWVRFR-VOTSOKGWSA-N 307.353 2.044 10 10 DECE Cc1ccncc1/C=C/C(=O)N1CC[C@H](C(N)=O)c2ccccc21 492464527 VDAFAGZYYTVMHU-MOEXGYKKSA-N 321.380 2.409 10 10 DECE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NC1CC1 3833548 GWOCEXGIDGWKIK-NTEUORMPSA-N 300.318 2.343 10 10 DECE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 38089884 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CCOc1cccc(CN[C@@H]2CNCC3(CCOCC3)C2)c1O 903974883 UMLFDMQVUSLACN-HNNXBMFYSA-N 320.433 2.039 10 10 DECE CCc1nnc(CNC(=O)NCc2ccc(N(C)C)cc2C)o1 838478800 LSHYXIFVNLFTBL-UHFFFAOYSA-N 317.393 2.006 10 10 DECE Cc1cc(N)c(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687754663 VYDSFUWRJPGLBW-NSHDSACASA-N 310.350 2.323 10 10 DECE Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1ccccn1 746333520 LBEFMDGRDBRDIG-CYBMUJFWSA-N 301.390 2.378 10 10 DECE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1cc(F)cc(F)c1O 926953890 PUXSDUNQINIHLQ-SECBINFHSA-N 321.389 2.392 10 10 DECE CC1(F)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 866100257 NVTIIDZPVDFGLP-UHFFFAOYSA-N 309.297 2.254 10 10 DECE CN(C)c1ccc(CN2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)cc1F 863653210 FTZDWHXECTUFNW-KLZNWCGWSA-N 303.425 2.322 10 10 DECE COC(=O)c1cc(OCCO[C@@H]2CC2(F)F)ccc1N(C)C 871793709 CNENNTZCAZLSPZ-CYBMUJFWSA-N 315.316 2.342 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1895876245 SLHMKEDWWOKMNU-WOPDTQHZSA-N 323.397 2.401 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21C(=O)NCCCN=[N+]=[N-] 1895875404 JDUCTWNYKVIEJK-UEKVPHQBSA-N 323.397 2.496 10 10 DECE COCC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1162967701 BEUULQPNFZWLFB-UHFFFAOYSA-N 304.350 2.396 10 10 DECE CCN1CCN(c2ccc(CN)c(Br)c2)C[C@H]1C 300295268 NKIBHTZVSICHMO-LLVKDONJSA-N 312.255 2.438 10 10 DECE O=C1Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Cl)cc2[C@@H]1O 711547534 JJXMJTFTDNJRTJ-DAROEXNTSA-N 310.806 2.125 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2nc[nH]c2c1 1449986723 SPUADEUNWHULBW-UTCJRWHESA-N 309.325 2.304 10 10 DECE C[C@H](C(=O)NCc1cccc(O)c1O)c1cccc([N+](=O)[O-])c1 1455314299 FRRZSVPCICPPLB-JTQLQIEISA-N 316.313 2.426 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)CCCC(F)(F)F 214884847 VLEKKNSQEYBZIJ-UHFFFAOYSA-N 310.341 2.373 10 10 DECE Cc1cc(CCC(=O)NCc2ccc(N(C)C)cc2C)n[nH]1 1565702192 WSCHCZORNHSBRE-UHFFFAOYSA-N 300.406 2.342 10 10 DECE COc1nsc(OC)c1C(=O)N(C)Cc1ccccc1O 1631154494 CZVAZYLZQPVGBY-UHFFFAOYSA-N 308.359 2.138 10 10 DECE O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc(O)ccc1O 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317.838 2.491 10 10 DECE C[C@@H](CNC(=O)c1cccc(O)c1O)N(C)C(=O)OC(C)(C)C 283058973 WMBRPWYDGYOXQI-JTQLQIEISA-N 324.377 2.083 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2CC[C@@H]3O)cc1Br 2028288655 RIUPICDBFSCRJJ-GYSYKLTISA-N 311.223 2.257 10 10 DECE Cc1cc(O)ccc1NS(=O)(=O)c1c(C)csc1CO 2157764552 KANCIGLYVWWHLS-UHFFFAOYSA-N 313.400 2.364 10 10 DECE Cc1cc(O)c([C@@H](C)n2ncc(C(=O)N(C)C)c2O)cc1C 2070578643 UXURUHDJARXUBL-LLVKDONJSA-N 303.362 2.222 10 10 DECE Oc1cccc(Br)c1CNCCc1ncccn1 2044806220 HMCUZWWCRNDFBU-UHFFFAOYSA-N 308.179 2.277 10 10 DECE CC1(CC(=O)O)CN(Cc2c(O)cccc2Br)C1 2077019568 JOWGYOBMLMGSNW-UHFFFAOYSA-N 314.179 2.451 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2082969319 FLOABHJALGYGCP-PYUPQCDSSA-N 311.223 2.286 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1C[C@@H]2CS(=O)(=O)C[C@H]2C1 2203362894 IHLBGEPQRGNICQ-GMTAPVOTSA-N 315.822 2.083 10 10 DECE CN(C[C@@]1(F)CCOC1)c1ccc(CN)c(Br)c1 2222367707 XYEZMXLQZINDOG-ZDUSSCGKSA-N 317.202 2.473 10 10 DECE 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1917771703 XVYONJWPBICFCT-ZDUSSCGKSA-N 308.378 2.028 10 10 DECE CNCc1ccc(N(C)CC[C@@H](C)O)c(Br)c1 234404140 RUAWPKHZYDJTGN-SNVBAGLBSA-N 301.228 2.376 10 10 DECE COc1cccc([C@@H]2C[C@H](N)CN2C(=O)OC(C)(C)C)c1O 1952454970 WCAJDOGSLUSIDF-JQWIXIFHSA-N 308.378 2.410 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1c(O)cccc1[N+](=O)[O-] 1952882560 DGRQDVVNACUULL-RNCFNFMXSA-N 323.349 2.310 10 10 DECE C[C@@H](N[C@H]1C[C@@H](CS(C)(=O)=O)C1)c1ccc(F)cc1O 1974490324 JMHFYWUWOZPGNW-FOGDFJRCSA-N 301.383 2.005 10 10 DECE COc1ccc(CN[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1984414092 CPKBGNSCXKHXEQ-JSGCOSHPSA-N 322.405 2.404 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@H]1CC[C@H](O)C1 2008597746 OTZOUXPYHSZPQL-UWVGGRQHSA-N 304.159 2.297 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](O)C3(CC3)C2)cc1Br 2032399554 FBECGKPPEBAUHA-NOZJJQNGSA-N 311.223 2.430 10 10 DECE Cc1cc(Br)ccc1N1N=C(C(=O)O)[C@H](C)C1=O 2037176339 DCJYQHRVEQHCDT-ZETCQYMHSA-N 311.135 2.181 10 10 DECE C[C@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Cl)c1 716103214 UDHOIELAULEPRB-GCVQQVDUSA-N 316.854 2.372 10 10 DECE C[C@@H]1C[C@@H](O)CN1c1cc(Br)c(CN)cc1F 384992296 MSBPDJNWSXYRHX-VXNVDRBHSA-N 303.175 2.006 10 10 DECE Nc1ccc(N2CCN(CC3(Br)CC3)CC2)cc1 2049206279 AVZZGZYQSJIBKR-UHFFFAOYSA-N 310.239 2.318 10 10 DECE C[C@@H]1C[C@H]1N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 2052750287 ZAPPGMYMPKDGFT-KXHDPYLZSA-N 310.195 2.246 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](F)C2)c(Br)c1 2219160392 NVXWXOZDCADNEF-GDPRMGEGSA-N 317.202 2.378 10 10 DECE COc1n[nH]cc1CNCc1c(O)cccc1Br 2256587581 ZKQSFPMYNKKQJF-UHFFFAOYSA-N 312.167 2.176 10 10 DECE CC(C)CNCCNCc1cc(Br)ccc1O 2248028777 OSKPCTUKLYDCCU-UHFFFAOYSA-N 301.228 2.490 10 10 DECE CSc1ncc(CNC(=O)N[C@@H](CC(C)C)C(=O)O)s1 2284498528 JRIOTVLRYYYRLP-VIFPVBQESA-N 317.436 2.164 10 10 DECE CN(C)C(=O)CN(C(=O)C=Cc1cccnc1)c1ccccc1 2297752979 OHBXNSGCOSLIDG-UHFFFAOYSA-N 309.369 2.216 10 10 DECE COC(=O)[C@@H](C)CN(Cc1cc([N+](=O)[O-])ccc1O)C1CC1 178575909 RLFNZYXRXBRCNZ-JTQLQIEISA-N 308.334 2.074 10 10 DECE C[C@H](N[C@@H]1CCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 181070685 MUBGOLDYXVCQRG-MJEQTWJJSA-N 308.397 2.226 10 10 DECE COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)c(O)c3o2)cc1 14645342 UQSWLRUEVFEAAT-UHFFFAOYSA-N 316.265 2.291 10 10 DECE biogenic CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(F)c(F)c1O)CC2 187777123 AEFYQQHYRVOUNY-ZJUUUORDSA-N 322.359 2.490 10 10 DECE COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)c(O)c1 91833364 CJPWBCYZDMNHPA-ZDUSSCGKSA-N 303.362 2.472 10 10 DECE Cc1n[nH]cc1C(=O)NCc1cc(Br)ccc1O 804734543 QCCGSLBUPWNWNT-UHFFFAOYSA-N 310.151 2.116 10 10 DECE COc1ccc(N2CC[C@H](CNCc3cnc(C)nc3)C2)cc1 818221794 UFQIEYWXLHTCNA-OAHLLOKOSA-N 312.417 2.410 10 10 DECE COc1ccc(O)c(CNCc2cnnn2Cc2ccccc2)c1 813772587 LXDOKRYLVAVCNF-UHFFFAOYSA-N 324.384 2.330 10 10 DECE Cc1cc(O)c(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1Cl 827164762 MOVDWAKBXKZISF-PWSUYJOCSA-N 317.838 2.409 10 10 DECE CN(C)c1ccc(/C=C\CN2CCO[C@]3(CCOC3)C2)cc1 835046913 NEQVCDDBZLKIOL-DDKKJVIOSA-N 302.418 2.257 10 10 DECE C[C@H](CN1CCCC1=O)NC/C=C/c1ccc(N(C)C)cc1 835036088 OFUNXIVVJIGGAK-CSPWOOARSA-N 301.434 2.366 10 10 DECE Cc1csc(CCNC(=O)NCc2c(O)cccc2F)n1 914152268 XYBAJKGEVGEMQX-UHFFFAOYSA-N 309.366 2.338 10 10 DECE C[C@H](CC(=O)O)CC(=O)NCc1ccc2cccnc2c1O 911700533 MWJNKZNPHVWKSO-JTQLQIEISA-N 302.330 2.058 10 10 DECE Cc1ccn2cc(CNC(=O)NCc3ccccc3O)nc2c1 748458841 DBUUWIOOQJIZHF-UHFFFAOYSA-N 310.357 2.348 10 10 DECE CCN(CC)c1ccc(CN[C@H](C(=O)O)c2cnn(C)c2)cc1 841806196 DPJFTDKQGWXWAP-INIZCTEOSA-N 316.405 2.182 10 10 DECE Cc1ccc(C(=O)N[C@@H](C)[C@@](C)(O)c2ccccc2)c(O)c1O 846400165 CLSXOBUIQJCRNL-KPZWWZAWSA-N 315.369 2.432 10 10 DECE COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc2c(c1)CCCN2C 850099579 OZQAHRCOKMRORW-VBNZEHGJSA-N 302.418 2.356 10 10 DECE CCC[C@H](C)N1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O 928710350 BYMNDYKEBDHOGV-NWDGAFQWSA-N 322.380 2.185 10 10 DECE CCN1CC[C@@H](N(CC)C(=O)/C=C\c2ccc(O)c(O)c2)C1 855491098 NQABBXFAUPMSRU-IQCBXXCUSA-N 304.390 2.054 10 10 DECE CCOC1CC2(C1)C[C@@H]2C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 867302061 JMNWSYCPFWYYMH-ZHKKWPCLSA-N 319.401 2.350 10 10 DECE CCO[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H]1SC 875687514 OUUOHNQGEJRVLJ-YUELXQCFSA-N 322.430 2.326 10 10 DECE CN1CCN(c2ccc(/C=C\c3cc(C(=O)O)ncn3)cc2)CC1 771529933 WSDFUMLUZBUQFX-DJWKRKHSSA-N 324.384 2.097 10 10 DECE CC(C)(C)OC(=O)NOCCNCc1c(O)cccc1F 1955543245 DVEBGTPPUCPAEU-UHFFFAOYSA-N 300.330 2.077 10 10 DECE Oc1cc2c(cc1CN1CCC[C@@H](OC(F)F)C1)OCO2 781150080 BKCHYUHGIYWZTJ-SNVBAGLBSA-N 301.289 2.325 10 10 DECE C[C@@H]1C[C@H](NCCC2CS(=O)(=O)C2)c2c(O)ccc(F)c21 786943882 BEKSXBDDBSPYBU-SKDRFNHKSA-N 313.394 2.104 10 10 DECE C[C@@H](Nc1ccc(N)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1959354440 YFBMTYNSDDXAFS-LLVKDONJSA-N 307.394 2.051 10 10 DECE O[C@H]1CN(c2ccc(OCc3ccccc3)cc2)C2(CNC2)C1 1899885042 LNKCVABZKXAIFM-QGZVFWFLSA-N 310.397 2.179 10 10 DECE CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885560531 DRJJTVAOUODUQK-SECBINFHSA-N 317.415 2.059 10 10 DECE COc1ccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)cc1C 1307978742 VKUZGRLIMCJKPT-DZGCQCFKSA-N 303.362 2.315 10 10 DECE COc1cccc([C@@H](O)C(=O)NCc2cc(C)ccc2O)c1 1167293494 GLZAOPKIXWZBGS-MRXNPFEDSA-N 301.342 2.059 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C(=O)OC 1313285027 YAHZPWGGALCALM-ZIAGYGMSSA-N 320.389 2.123 10 10 DECE COC(=O)N(C)CCN(C)Cc1cc2c(cc1O)CCCC2 1327702293 IQBOUTZISPLASM-UHFFFAOYSA-N 306.406 2.401 10 10 DECE COC(=O)C[C@@H](C)NCc1ccc(Br)cc1O 691426257 HXPOKFVTVSPJIS-MRVPVSSYSA-N 302.168 2.196 10 10 DECE CC[C@@H](OC)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1265756806 LMQBHHJSHOMDIV-DZGCQCFKSA-N 308.422 2.023 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cccnc2n1 1556157781 JPLFQMUAPJZFFV-NSHDSACASA-N 323.352 2.402 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnc([C@@H](C)O)s2)c1 1631542932 NGKUKOQPBMXOIT-DTWKUNHWSA-N 322.386 2.402 10 10 DECE CCOCc1nnc(N(C)Cc2ccccc2O)n1C1CC1 1728983103 CDWGFXCBEQKICE-UHFFFAOYSA-N 302.378 2.492 10 10 DECE C[C@H]1CC(CCNC(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 1639351857 ZKQKQGFZQAJJEB-RYUDHWBXSA-N 307.390 2.350 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@H]2CO)cc1 1631407323 KMMRMZQWDPWMFB-ZDUSSCGKSA-N 304.350 2.226 10 10 DECE Oc1cccc2c1CN(c1ccc3nnc(C(F)(F)F)n3n1)C2 1640307794 QLCJHGGLPKMMEM-UHFFFAOYSA-N 321.262 2.369 10 10 DECE Cc1nc2ccccn2c1CNC(=O)c1c(F)ccc(O)c1O 1641915033 GOXJQISLJVBIEU-UHFFFAOYSA-N 315.304 2.123 10 10 DECE COC(=O)/C=C\c1ccc(N(C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 1772837164 SHPLNIMBMYMRDR-RYWCDNDXSA-N 320.345 2.254 10 10 DECE C[S@@](=O)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 161242215 QMHDPVKXNZBOED-AOMKIAJQSA-N 316.426 2.047 10 10 DECE CN[C@@H](c1ccccc1O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 1936981540 AURVJPFORJJECE-ZFWWWQNUSA-N 323.437 2.108 10 10 DECE CNCc1ccc(N(C)CC(C)(C)O)c(Br)c1 234400578 SGLMDKYZHUYDKH-UHFFFAOYSA-N 301.228 2.376 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1cc([N+](=O)[O-])ccc1O 1952452572 NBJLFZCAKJJDRQ-JOYOIKCWSA-N 323.349 2.310 10 10 DECE CCOC(=O)[C@H]1CCN[C@H]1c1c(O)cccc1Br 1952880924 MNWBKRTURWLFSC-QPUJVOFHSA-N 314.179 2.368 10 10 DECE C[C@@H](c1cc(Cl)ccc1O)N1CC[C@H](CS(C)(=O)=O)C1 2143701128 STQNRAHYBSFHLT-QWRGUYRKSA-N 317.838 2.473 10 10 DECE CN(Cc1cc(N)ccc1O)CC1CN(C(=O)OC(C)(C)C)C1 1977923988 BYAWJJREVFRULH-UHFFFAOYSA-N 321.421 2.273 10 10 DECE COc1ccc(N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(N)c1 1978512677 NBVVPKRZFIBCGB-JJLQDPRZSA-N 319.405 2.237 10 10 DECE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 70330119 UADSVNCIZQNQGH-UHFFFAOYSA-N 317.319 2.092 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3[C@H](N(C)C)[C@H]3C2)cc1Br 384884453 JGZCJGWMELATCE-JWFUOXDNSA-N 324.266 2.465 10 10 DECE CCN[C@H](C)c1ccc(N(C)CC(N)=O)cc1Br 723171372 QQKNHSWTGYUDMA-SECBINFHSA-N 314.227 2.041 10 10 DECE COc1ccc([C@H](C)n2nc(C(C)C)c(CN)c2N)c(O)c1 2080002774 CNUHJCBFQDJBAM-JTQLQIEISA-N 304.394 2.371 10 10 DECE NC[C@]12CC[C@H]1CN(Cc1cc(Br)ccc1O)C2 2081571562 PNSHIOFTAFZUPJ-FZMZJTMJSA-N 311.223 2.325 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NCc2ccc(O)c(O)c2)C1 2212430410 FRTIXJAJDRZAIF-YVEFUNNKSA-N 320.389 2.197 10 10 DECE CN(CCC1(F)CCC1)S(=O)(=O)Cc1ccc(N)cc1 2205558828 PRFGSMUHQTWMIE-UHFFFAOYSA-N 300.399 2.313 10 10 DECE CC(C)(C)OC(=O)NCCSc1ncc(C(=N)N)s1 2242573936 CTWXCXCLCCMLBF-UHFFFAOYSA-N 302.425 2.044 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)cc1Br 2258308265 HWQXFIONKNPAFM-LFNDISMMSA-N 312.207 2.319 10 10 DECE CC[C@H](C)[C@@H](NCc1c(O)cccc1Br)C(N)=O 2264217479 KITAQVDNQVYQBM-QPUJVOFHSA-N 315.211 2.144 10 10 DECE COc1cc(Cl)c([C@H](NCCN=[N+]=[N-])C(N)=O)cc1Cl 2281587541 OHWMUCQXLSCPNB-JTQLQIEISA-N 318.164 2.428 10 10 DECE CSc1ncc(CNC(=O)[C@H]2C[C@]2(C(=O)O)C(C)C)s1 2284493565 CDKHXHUIZBXXBS-RNCFNFMXSA-N 314.432 2.228 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CC3(CCCC3)CN2)s1 2284503355 BICCSVLBIBNHDB-NSHDSACASA-N 311.476 2.404 10 10 DECE Cc1ccc(CNC[C@H]2C[C@@H](O)C2)c(O)c1Br 2307482219 NOYCTMKQUXHKGQ-JGZJWPJOSA-N 300.196 2.324 10 10 DECE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCCO 2313681877 PLEPOJJUKCBRHT-UHFFFAOYSA-N 301.390 2.435 10 10 DECE Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2F)c(O)c1Br 2307463624 LGAKRYYEPCVZPY-BDAKNGLRSA-N 302.143 2.437 10 10 DECE Cc1ccc(CNC(=O)[C@@H](C)CCN)c(O)c1Br 2327585180 FWFNMPKFRRMWBK-VIFPVBQESA-N 315.211 2.064 10 10 DECE Cc1ccc(CN2C[C@H]3CC[C@@]3(N)C2)c(O)c1Br 2327790889 XVFDHXRKKAVRHC-BXUZGUMPSA-N 311.223 2.386 10 10 DECE Cc1ccc(CNC(=O)c2cnn(C)c2)c(O)c1Br 2352931852 DVIDOCPIQSBIDF-UHFFFAOYSA-N 324.178 2.127 10 10 DECE CC(=O)N1CC[C@H](CN(C)Cc2cc3c(cc2O)CCC3)C1 178920573 YDDOJJVNNDUTRF-CQSZACIVSA-N 302.418 2.181 10 10 DECE Oc1cccc([C@@H]2NC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O 309609270 LACXTXRRFKDTMY-HFTRVMKXSA-N 310.397 2.490 10 10 DECE CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1CCO 62460645 JROHSCKWMAGZHA-CVEARBPZSA-N 305.422 2.223 10 10 DECE CN(Cc1ccccc1O)C(=O)Nc1cnn(-c2ncccn2)c1 72562222 XLPMDXIYCGXWHG-UHFFFAOYSA-N 324.344 2.032 10 10 DECE COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1 82320267 GEUFUPUVFXQLJP-UHFFFAOYSA-N 311.385 2.361 10 10 DECE C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 250087737 PYRYEFXLAQBHRA-JCURWCKSSA-N 322.424 2.472 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O 368962877 FICCDEFMJCYFMU-DUFXMDAXSA-N 324.808 2.140 10 10 DECE COc1ccc(N2CCN([C@H](C)c3noc(C)n3)CC2)cc1 283832541 GXTPQHKGMBPPLP-GFCCVEGCSA-N 302.378 2.270 10 10 DECE CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)C(C)=O 808546607 TYPAKODXMIANQZ-UHFFFAOYSA-N 301.298 2.219 10 10 DECE Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1O 387481078 QCKPOUCQQKICHO-UHFFFAOYSA-N 303.343 2.077 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2164677059 LJIBOUVWPWAUOU-IVZWLZJFSA-N 308.354 2.382 10 10 DECE CCCN(C)S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 290480524 HWPSPQLCHKQNFK-UHFFFAOYSA-N 316.423 2.316 10 10 DECE Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@H]2CN3)c1 817865719 XNLXZJJEUAAULF-NEPJUHHUSA-N 311.223 2.399 10 10 DECE CN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN2CCO[C@H]1C2 824501381 JLKDRTXQEGGNRM-KGLIPLIRSA-N 314.788 2.090 10 10 DECE Nc1ccc2c(c1)CN(Cc1cc3c(cc1O)OCO3)CCO2 903947345 RVBAMIZBZKYFHH-UHFFFAOYSA-N 314.341 2.098 10 10 DECE C[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)N1CCCCC1 588432177 GPAJLHZVQPOKCH-IQCBXXCUSA-N 318.417 2.492 10 10 DECE 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NC(=O)N=Nc1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1 1628640875 QJUPELNIWFQJHB-UHFFFAOYSA-N 316.361 2.226 10 10 DECE CO[C@]1(C)C[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1(C)C 1628732871 WAYLWXGRKJTZHC-WMLDXEAASA-N 307.390 2.302 10 10 DECE CC[C@@H](CNC(=O)c1ccon1)NCc1ccc(OC)c(C)c1 1481793705 HMKYWTWLADKIGN-AWEZNQCLSA-N 317.389 2.290 10 10 DECE CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CC)C(=O)OCC 1567549100 DIUVTRPHXPKOCG-CYBMUJFWSA-N 323.389 2.221 10 10 DECE COc1cccc2c(C(=O)N3Cc4cccc(O)c4C3)cnn12 1650675583 WUWPRQAGBQVWKJ-UHFFFAOYSA-N 309.325 2.205 10 10 DECE O=C(NCc1c(O)cccc1O)c1cccc(C2OCCO2)c1 1597573335 CVGLUTFDKGPPPP-UHFFFAOYSA-N 315.325 2.073 10 10 DECE O=C(NCc1cc(O)ccc1O)c1nc2cnccc2s1 1593882363 TYHCQYKQMOIYLX-UHFFFAOYSA-N 301.327 2.033 10 10 DECE Cc1ccc(O)c(CNCC(=O)Nc2ccc(Cl)cn2)c1 1857857354 CVWBALIVEJKYPH-UHFFFAOYSA-N 305.765 2.477 10 10 DECE O=C1Nc2cc(N3CCC[C@@H]4C[C@H]43)c(Br)cc2[C@H]1O 1916853464 KJLZHIOHFKNHOM-TWPQKTAQSA-N 323.190 2.423 10 10 DECE C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1 1928512367 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COc1ccc(CNCCS(=O)(=O)C(F)(F)F)cc1C 2232495953 XGVIRWBHJYVVCT-UHFFFAOYSA-N 311.325 2.028 10 10 DECE CC[C@H]1[C@H](O)CCN1c1ccc(CN)c(Br)c1F 2260361195 HTENNYGXPFMUMO-GXSJLCMTSA-N 317.202 2.397 10 10 DECE CCNc1nc[nH]c(=NCc2cnc(SC)s2)c1OC 2284725355 QZUUXQCSGSREIW-UHFFFAOYSA-N 311.436 2.129 10 10 DECE Cc1ccc(CN(C)c2cnn(C)n2)c(O)c1Br 2327586055 ZFLILOKYLALUFF-UHFFFAOYSA-N 311.183 2.228 10 10 DECE O=C(O)[C@]1(Sc2nccs2)CCN[C@@H](C(F)(F)F)C1 2351837448 MBXXWKHVKRDTNE-MUWHJKNJSA-N 312.338 2.373 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(O)CCCC1 304115361 ODEBNBHWNGOLIT-UHFFFAOYSA-N 313.357 2.285 10 10 DECE CCOc1ccc(O)c(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 92105871 DMGSOVQMNJNHDP-CJNGLKHVSA-N 318.417 2.282 10 10 DECE CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(N(C)C)cc1 364326146 FPKZBYMBMGLDQA-IAGOWNOFSA-N 320.433 2.295 10 10 DECE CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 274625302 MFXUDFMNXSTQHG-SJORKVTESA-N 302.418 2.432 10 10 DECE CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 293628653 MZDYZRDQOLQYFH-JTQLQIEISA-N 321.801 2.194 10 10 DECE CN(C)c1ccc([C@@H](N)Cc2cn(C)nc2Br)cc1 713847957 YKRQVVCGPJUUQX-ZDUSSCGKSA-N 323.238 2.491 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCn3ccnc32)c1 834829925 ABNFCFJAWIGHCV-ZWNOBZJWSA-N 301.346 2.171 10 10 DECE CN(C)c1ccc(/C=C/CNCCN2CCOC(C)(C)C2)cc1 835039129 WSXGMZLSHBYPNK-AATRIKPKSA-N 317.477 2.466 10 10 DECE CN(C)c1ccc(/C=C\CN[C@H](C[C@H]2CCCO2)C(=O)O)cc1 904029113 BQSOBQJJILYWRO-NNCADPFVSA-N 318.417 2.378 10 10 DECE CCCN(CCC)S(=O)(=O)Nc1ccc(O)c(F)c1F 830184683 MMRNXTWONMJZPI-UHFFFAOYSA-N 308.350 2.449 10 10 DECE CCCN1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1 841770272 LTPGRTUCPRFTDH-UHFFFAOYSA-N 318.465 2.233 10 10 DECE CC(C)(C)c1noc(CCC(=O)NCc2c(O)cccc2F)n1 928711776 LCOLNNDRLSCACE-UHFFFAOYSA-N 321.352 2.461 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@@H]2CCC[C@@H]21 929012157 XJWLTKHSAJLXJT-FPMFFAJLSA-N 300.358 2.345 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CC(C)(C)OC)C2)cc1 855225921 OKAYDDFXSFXTEI-ZDUSSCGKSA-N 306.406 2.205 10 10 DECE COC(=O)COc1ccc(N(C)C[C@H](OC)C2CCC2)cc1 851925044 UBLSRKFGKSSSRE-INIZCTEOSA-N 307.390 2.490 10 10 DECE C[C@H](NCCC1(CS(C)(=O)=O)CC1)c1ccc(F)cc1O 850485536 KTXUYPWUDMCEHR-NSHDSACASA-N 315.410 2.397 10 10 DECE COc1cc(Cl)cc(CN(C)[C@H](CN)C(F)(F)F)c1O 698721619 KAFQUBIUKSIOFB-SNVBAGLBSA-N 312.719 2.376 10 10 DECE CN(C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 867691410 VULVMVHDXLRDBO-UHFFFAOYSA-N 318.398 2.163 10 10 DECE CN1CCN(c2ccc(CN(C)C[C@@H]3CCCO3)cc2)CC1 775650004 WKCNWBPCYDPNEH-SFHVURJKSA-N 303.450 2.049 10 10 DECE COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cn1 887767812 XZSYNVQSPNTQJH-UHFFFAOYSA-N 313.401 2.405 10 10 DECE CC(C)(O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897498883 ANKPVJUYJIRDGG-UHFFFAOYSA-N 307.371 2.155 10 10 DECE Cc1ccsc1[C@H](CO)NC(=O)c1ccc(C)c(O)c1O 1137768160 MXOSRIQBAIUFRJ-NSHDSACASA-N 307.371 2.240 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@H](Nc2ccc(N)cc2)C1 1959351546 MJKUYAYNCKEFGX-CQSZACIVSA-N 307.394 2.317 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@H](O)c1ccc(Cl)cc1 1303225897 RABQRUVNUBGLAR-CQSZACIVSA-N 307.733 2.101 10 10 DECE CCOC(=O)c1cnc(CC)nc1NCc1c(O)cccc1O 1307218296 GWBZLAIIAKFYRP-UHFFFAOYSA-N 317.345 2.239 10 10 DECE CCO[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962305198 RCDAPWLSBWYTRG-VXGBXAGGSA-N 313.402 2.158 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1F 1328022610 BPJZWCPPYZMTEL-GUYCJALGSA-N 321.396 2.070 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCCNC1 715766470 SBXGLOAPDRBKGY-LLVKDONJSA-N 317.202 2.478 10 10 DECE Nc1ccc(OCCC(=O)NCc2ncc(Cl)s2)cc1 719411587 GVGFZFLEKICKLL-UHFFFAOYSA-N 311.794 2.464 10 10 DECE CN(c1ccc(CN)c(Cl)c1)[C@@H]1CCCS(=O)(=O)CC1 694210784 DIYTVOYZSFUYCM-GFCCVEGCSA-N 316.854 2.202 10 10 DECE COC(=O)COc1ccc(N(C)Cc2csnc2OC)cc1 1193312253 WEYIKMDLROPSQB-UHFFFAOYSA-N 322.386 2.340 10 10 DECE O=C(NCc1ccccc1O)[C@@]1([C@@H]2CCCCO2)CCCO1 1349329103 DATLBRYCMVYSQL-RDJZCZTQSA-N 305.374 2.127 10 10 DECE CC(C)N(Cc1ccccn1)C(=O)Cc1ccc(O)c(O)c1 1464327134 CEBSVPYUQZQZJO-UHFFFAOYSA-N 300.358 2.473 10 10 DECE COc1cccc(CC(=O)NCc2cccc(Cl)c2O)n1 1606868174 LVKVABFUBPNFMV-UHFFFAOYSA-N 306.749 2.308 10 10 DECE CCOC(=O)/C=C\CN(C)CCN(C)c1ccc(OC)cc1 1473610089 KWGZPWHVRXOHMH-SREVYHEPSA-N 306.406 2.183 10 10 DECE COc1ccc(CN[C@H](C)CCNC(=O)c2cc[nH]n2)cc1C 1713404477 VUQSIOCCBXJAHX-CYBMUJFWSA-N 316.405 2.025 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H](O)C1CC1 1625656733 FWEOYGMAHMWJAN-OAHLLOKOSA-N 308.341 2.106 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(C=O)cc1 1633817883 CCCRHQDAMPVUSV-GFCCVEGCSA-N 313.353 2.200 10 10 DECE Cc1nnc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1C 1639965269 IOOIIZVZPNTZOF-UHFFFAOYSA-N 307.737 2.088 10 10 DECE O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc(O)cc1O 1638356718 MOJIHGGHJAIIET-UHFFFAOYSA-N 320.276 2.004 10 10 DECE CN(C)CCc1cccc(C(=O)NCc2c(O)cccc2O)c1 1635850507 NZKAPHDHGFEXEC-UHFFFAOYSA-N 314.385 2.132 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2cn[nH]c2)cc1 1566359447 DEMHBOPNAHRYAZ-UHFFFAOYSA-N 309.325 2.418 10 10 DECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)CC 1764723649 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10 10 DECE CCNCc1cnc(SC[C@H](OC)[C@@H]2CCOC2)s1 2274605005 UBFRZCNYCLQLLK-PWSUYJOCSA-N 302.465 2.396 10 10 DECE COC(=O)c1sc(=NCc2cnc(SC)s2)[nH]c1C 2269123435 IVZRTXIODMTSGI-UHFFFAOYSA-N 315.445 2.451 10 10 DECE CSc1ncc(CNC(=O)c2ccc(NN)c(C)c2)s1 2284709216 DKBXVDGLLIKANB-UHFFFAOYSA-N 308.432 2.389 10 10 DECE CSc1ncc(CN=c2cc(C(C)C)nc(NN)[nH]2)s1 2284718036 CTQMUKZOLMLMQO-UHFFFAOYSA-N 310.452 2.098 10 10 DECE CN(C)c1ccc(CN[C@H]2C[C@@H]3C[C@H]2CC32OCCO2)cc1 2296793750 NZISTIFSLLXESE-ZOBUZTSGSA-N 302.418 2.384 10 10 DECE CCN1C(=O)C(=CN=c2[nH]c3ccccc3[nH]2)SC1=S 2297353980 ROTLNWNRDJSSAS-UHFFFAOYSA-N 304.400 2.118 10 10 DECE Cc1ccc(CN2C[C@H](F)C[C@H]2CN)c(O)c1Br 2327631611 RLWFZMHDQQKOBC-MNOVXSKESA-N 317.202 2.334 10 10 DECE Nc1ccc(CCC(=O)Nc2[nH]ncc2Br)cc1 311184219 BICMYQRKWDECLI-UHFFFAOYSA-N 309.167 2.326 10 10 DECE NCc1cc(F)c(N2CCN(CC(F)(F)F)CC2)c(F)c1 62719309 FHCWMMFVGGAAGB-UHFFFAOYSA-N 309.282 2.108 10 10 DECE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](N)c1ccccc1O 1894312035 VUXWZVQPOMKBTA-TUKIKUTGSA-N 322.405 2.416 10 10 DECE O=C(NCCc1ccc(F)cc1)Nc1cc(O)c(O)c(O)c1 217278920 VIPODISYMWNSTD-UHFFFAOYSA-N 306.293 2.307 10 10 DECE CCCN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(F)c1 36162054 UWSLOYDUOIEWEC-LBPRGKRZSA-N 314.426 2.121 10 10 DECE O=S1(=O)C=C[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 88854552 FNMBARJYMKESJX-OAHLLOKOSA-N 306.431 2.077 10 10 DECE CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C 190413024 WKONKBDPZVEHGZ-CZUORRHYSA-N 305.422 2.319 10 10 DECE Cc1ncoc1C(=O)NCc1cc(Br)ccc1O 804736061 MUQLVZRGNBBVHI-UHFFFAOYSA-N 311.135 2.381 10 10 DECE Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)c(O)c1O 727005367 PIYVNAZJTQTEOE-UHFFFAOYSA-N 319.288 2.341 10 10 DECE Cc1c(Br)cncc1NC(=O)c1cc(O)nc(O)c1 722730735 LKTNRFWVWJXSHT-UHFFFAOYSA-N 324.134 2.211 10 10 DECE CCOC(=O)[C@@H](F)[C@H](N)c1ccc(Br)c(F)c1O 725274881 XVRUCDVDEXLSLZ-DTWKUNHWSA-N 324.121 2.195 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Br)c(C)s1 820848296 QBKDWASPJOIUGM-UHFFFAOYSA-N 305.149 2.134 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCSC[C@H](C(=O)O)C1 901891560 SUPXIQCVJPKPQY-CQSZACIVSA-N 308.447 2.311 10 10 DECE C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 832431254 MMKJMNDZQWAQNG-JSGCOSHPSA-N 312.417 2.458 10 10 DECE COc1cc(N(C)C[C@@H]2CCC3(COC3)O2)cc(OC)c1OC 929706741 GEBGFTXOZAXMHB-ZDUSSCGKSA-N 323.389 2.097 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cscn3)C2)cc1 855225013 HNSNKHTUULNQHR-LLVKDONJSA-N 303.387 2.160 10 10 DECE C[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1O 850563421 XSXVDESOANLSFN-GXTWGEPZSA-N 321.396 2.472 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)cc1 855229878 CLSGSQLCWDBANK-ZDUSSCGKSA-N 314.389 2.044 10 10 DECE C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1 861556657 DQEDDLZUQPNYAA-GOEBONIOSA-N 316.449 2.227 10 10 DECE CCC(CC)(CO)C(=O)NCc1ccc2cccnc2c1O 862025510 WTSGZUXUWRTLQI-UHFFFAOYSA-N 302.374 2.355 10 10 DECE COC(=O)[C@]1(OC)CCN(Cc2ccc3ccccc3c2O)C1 862475623 QTQAQRXRXMNXGC-SFHVURJKSA-N 315.369 2.309 10 10 DECE COC(=O)c1cc(OCc2cnc(C)cn2)ccc1N(C)C 865396605 WGVOCPJHEZIPLQ-UHFFFAOYSA-N 301.346 2.217 10 10 DECE COc1cc(O)c(CN[C@@H](CO)c2ccsc2)cc1OC 770667166 DPADVIWOKAXRSU-LBPRGKRZSA-N 309.387 2.294 10 10 DECE CN(C)c1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 1136461247 BVHRAHSRRKKUNN-UHFFFAOYSA-N 300.358 2.023 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCN=[N+]=[N-])C2(CC2)C1 1963698945 MSBHNSUMHUKLPZ-LLVKDONJSA-N 323.397 2.450 10 10 DECE Oc1c(F)cc(Br)cc1CNCc1cn[nH]c1 715743720 ABGJBKBXBXHJKS-UHFFFAOYSA-N 300.131 2.307 10 10 DECE CCN(C)c1ccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)cc1 1196657001 FZBVTUFHVNGQHC-JKSUJKDBSA-N 316.405 2.454 10 10 DECE COc1ccc(CNC2CC(CNC(=O)[C@@H](C)OC)C2)cc1C 1264770170 NJSAEBWFJMEMKA-IUDNXUCKSA-N 320.433 2.023 10 10 DECE Cc1ncccc1/C=C/C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 1435034718 VOGZAABFFPNZDV-FDMDGMSGSA-N 321.380 2.094 10 10 DECE CSCC[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440711692 DAMWELHKMYXEAA-MRXNPFEDSA-N 322.474 2.359 10 10 DECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1nncn1C 1447525354 RQTWRQMLAIACJD-UHFFFAOYSA-N 323.356 2.287 10 10 DECE CO[C@@H]1Cc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2C1 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QTGOBVAAGADRMW-GTNSWQLSSA-N 319.405 2.381 10 10 DECE Nc1ccc(CS(=O)(=O)N2CC[C@@H](SC(F)F)C2)cc1 2365678717 ACOKPBWMPSOPPI-LLVKDONJSA-N 322.402 2.129 10 10 DECE CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C)c(O)c1O 182533203 KDRYKXBLCBDKOS-CHWSQXEVSA-N 304.390 2.105 10 10 DECE C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC(N=[N+]=[N-])CC2)O1 2364245644 YXRBXVVBZGTXCB-PWSUYJOCSA-N 302.400 2.049 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CC[C@H](C1)O2 369874402 RDHUANNWZADFFR-CALCHBBNSA-N 315.417 2.360 10 10 DECE COc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]32)c1O 366536618 ZFUSNCULGVEWML-WDEREUQCSA-N 314.179 2.136 10 10 DECE O=C(NCc1ccc(N2CCOCC2)cc1)NC1C[C@@H]2C[C@H]2C1 822755509 HVUXLKYSLQXEJJ-GJZGRUSLSA-N 315.417 2.121 10 10 DECE COc1ccc(N2CCC(N[C@H]3CCN(C)[C@@H]3C)CC2)cc1 903299859 CCCRMMDXURYDRC-KDOFPFPSSA-N 303.450 2.346 10 10 DECE CCCc1ncc(CNC(=O)NCc2cccc(OC)c2O)o1 838699154 SRKWAQAAZQSNRS-UHFFFAOYSA-N 319.361 2.341 10 10 DECE CC(C)N1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 916874023 MQCUOGWKXVLGJQ-CYBMUJFWSA-N 323.412 2.451 10 10 DECE Oc1cc2c(cc1CN1CCOC[C@H]1CC1CCC1)[C@@H](O)CO2 840092287 ATZNMCIOCXZPMF-PBHICJAKSA-N 319.401 2.209 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N(C)C3CCC3)C2)cc1 854299450 JIQHCXWYIBOGGU-CYBMUJFWSA-N 303.406 2.468 10 10 DECE O=C(NCCCSc1nccs1)NCC1CSC1 921446462 JLMMAWFWLJXQEU-UHFFFAOYSA-N 303.478 2.288 10 10 DECE O=[N+]([O-])c1cc(CNC2(CO)CC2)ccc1N1CCCCC1 753851266 TYHNQPYYIFZNDW-UHFFFAOYSA-N 305.378 2.200 10 10 DECE C[C@@H](N)c1ccc(N(C)CC2CN(C)C2)cc1Br 692270338 ZYSOAOHLNJQSMF-SNVBAGLBSA-N 312.255 2.467 10 10 DECE Cc1cc(C2(C(=O)NCc3ccccc3O)CCOCC2)on1 860232742 DSFKFYMTOFDANX-UHFFFAOYSA-N 316.357 2.053 10 10 DECE C[C@H](NCCOCCCN)c1cccc(C(F)(F)F)c1O 863544932 FKPOJDCSWFRTDZ-JTQLQIEISA-N 306.328 2.427 10 10 DECE COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC(C)(C)O2)c1O 775091042 VSCOFJYBZCLGPC-NSHDSACASA-N 310.350 2.356 10 10 DECE COc1cccc(CNC(=O)c2cc(F)cc(C)c2N)c1O 1137473697 SBAHMWDENUSHCQ-UHFFFAOYSA-N 304.321 2.361 10 10 DECE O=C(NCc1ccc(O)cc1O)C1=NO[C@H](c2ccccc2)C1 1142529733 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Cn1nnc(Br)c1CN1CCC[C@@H](CN=[N+]=[N-])C1 1912153054 ZRUCBMFAYZUFAF-QMMMGPOBSA-N 314.191 2.100 10 10 DECE C[C@H](NCc1ccc(Br)cc1O)[C@@H]1COCCO1 1967898873 VRJCFBFUUXGETJ-ZANVPECISA-N 316.195 2.048 10 10 DECE CC(C)NCc1ccc(N2CC(S(C)(=O)=O)C2)cc1Cl 2152287124 WCJXPBJEAJXCGG-UHFFFAOYSA-N 316.854 2.071 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC(C(F)(F)F)C3)c(Cl)cc21 2152307153 UFXZBOOUJAVJMX-SNVBAGLBSA-N 305.687 2.290 10 10 DECE OCc1ccc(N2CC[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2032241584 XPCVRYLAEOMRLK-YNEHKIRRSA-N 312.207 2.006 10 10 DECE CN(c1ccc(CN)c(Br)c1)[C@@H]1CN2CC[C@H]1C2 2040885275 MYQQIKYJDUVDQF-SMDDNHRTSA-N 310.239 2.048 10 10 DECE NCc1cc(F)c(N2CCC[C@@H](CO)C2)cc1Br 310612335 COHSJEOEKMXNPK-SECBINFHSA-N 317.202 2.256 10 10 DECE Oc1cccc(Br)c1CN1C[C@H]2CCNC[C@H]2C1 2049691091 WXKYXMSGCBMSTC-MNOVXSKESA-N 311.223 2.196 10 10 DECE C[C@@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Cl 2173195848 ULGRWRGBGXGHEN-SNVBAGLBSA-N 317.838 2.264 10 10 DECE COc1ccc([C@@H](C)n2nc(C(F)F)c(CO)c2N)c(O)c1 2079881635 WUGYOMCZLMLJJF-SSDOTTSWSA-N 313.304 2.219 10 10 DECE CN(CC1CC(C)(F)C1)S(=O)(=O)Cc1ccc(N)cc1 2185661662 VPCVRERDKQKSKB-UHFFFAOYSA-N 300.399 2.169 10 10 DECE NC(=O)[C@H]1CCCC[C@H]1Nc1c(N)cccc1Br 2053776432 DJZGTVMUGZIYEI-GZMMTYOYSA-N 312.211 2.487 10 10 DECE COc1ccc(N2CC([C@@H](C)O)C2)c(OC)c1Br 2219393450 HUCCBRZKQHUZGR-MRVPVSSYSA-N 316.195 2.283 10 10 DECE CCN=c1cc[nH]cc1C(=O)NCc1cnc(SC)s1 2284731170 SZKZVAQQNLZLHM-UHFFFAOYSA-N 308.432 2.044 10 10 DECE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2293224404 CPIHATWVNJETDT-VIFPVBQESA-N 310.400 2.469 10 10 DECE CCN1C(=O)C(=C2C(=O)N(C)c3ccccc32)SC1=S 2296664448 CGNHAJMGLKGCOB-UHFFFAOYSA-N 304.396 2.254 10 10 DECE NC[C@]12C[C@H](CCN1Cc1cc(Br)ccc1O)C2 2318333901 VSCFHIBPBIVZOC-WJONMLJTSA-N 311.223 2.468 10 10 DECE CCn1nc(Br)c(CN2CCC(N=[N+]=[N-])CC2)n1 2326875628 QHIQLCTXHHXHHT-UHFFFAOYSA-N 314.191 2.335 10 10 DECE C[C@H]1CC(Sc2nccs2)(C(=O)O)C[C@H](C)S1(=O)=O 2352676390 OYKRJOVPUVCRKB-YUMQZZPRSA-N 321.445 2.044 10 10 DECE COc1ccc(C(=O)NCCc2cc(O)c(O)cc2C)cc1 170183682 MKFJHPCMNHGBGG-UHFFFAOYSA-N 301.342 2.387 10 10 DECE Oc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)cc1O 37648351 OGDOZOKRNAEXLK-LLVKDONJSA-N 304.312 2.072 10 10 DECE COc1cccc(CN(C)Cc2cc(OC)c(OC)cc2O)n1 188970298 SRFASGCKAYIGJK-UHFFFAOYSA-N 318.373 2.445 10 10 DECE Nc1ccc(Oc2ncncc2I)cc1 85466163 UMZNYALGCOKKFO-UHFFFAOYSA-N 313.098 2.456 10 10 DECE C[C@H](Cn1ccnc1)NC(=O)/C=C\c1ccc2c(c1)CCCN2C 96400953 UJUUDEHZNCTEEP-DDJMYBDESA-N 324.428 2.484 10 10 DECE CCN1CCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1 236836856 WXZKOOZMKIJAJI-GOSISDBHSA-N 303.450 2.097 10 10 DECE CNCc1ccc(N2CC[C@@H](C)[C@@H]2CO)cc1Br 234372647 WNEIYDIXBZSNSJ-YGRLFVJLSA-N 313.239 2.376 10 10 DECE CO[C@H](C)CC(=O)NCc1cc(Br)ccc1O 804739328 WFZXMIYSIGAYBD-MRVPVSSYSA-N 302.168 2.196 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2c(C)nnn2CC)cc1 294297407 CIAVZCUXZVAVPC-UHFFFAOYSA-N 315.421 2.383 10 10 DECE CCCN1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 390285685 NEBWHOIOGLGSHY-XQRVVYSFSA-N 319.361 2.225 10 10 DECE CN(Cc1cc(Cl)c(F)cc1O)C[C@H]1CCS(=O)(=O)C1 816514262 RJAVGQMYWGYVLU-SECBINFHSA-N 321.801 2.051 10 10 DECE C[C@H](N[C@H]1CCNC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 817972089 SXBSEJQPKSFHTN-KEYYUXOJSA-N 321.440 2.311 10 10 DECE CN1CCCc2cc(CNC(=O)Cc3ccc(O)nc3)ccc21 824682437 FGCNCALKXXTPJI-UHFFFAOYSA-N 311.385 2.029 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCC[C@@H]2O)c1O 835083745 FRQKKCXHAXIQJN-PELKAZGASA-N 300.742 2.204 10 10 DECE C/C(=C/c1ccncc1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 848394047 MHLUTPMPBNCTFY-RXXLQFRUSA-N 324.428 2.367 10 10 DECE Oc1ccc(Cl)cc1CNc1ccnc(N2CCOCC2)n1 845708958 JRBOPCRWARDSPA-UHFFFAOYSA-N 320.780 2.284 10 10 DECE CC[C@@H](COCC1CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 855283908 IJAJDAQCIQQSOK-OWNNVSBGSA-N 305.374 2.432 10 10 DECE Cc1ccc([C@@H](C)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(O)c1 927042047 UNFWBEDUDLISSK-RLAWYHOSSA-N 309.431 2.459 10 10 DECE COC(=O)/C(C)=C\CNC(=O)N(C)Cc1ccc(N(C)C)cc1 925034661 DZLFMNXNTJMQNW-RAXLEYEMSA-N 319.405 2.013 10 10 DECE CO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCC1 850039945 ORMZCARYUNFDJX-HNNXBMFYSA-N 308.330 2.029 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](C)O[C@H]3C)C2)cc1 869228416 IJAODSXJRUSPBK-AYMQEEERSA-N 318.417 2.204 10 10 DECE COC[C@@H](C)n1ccc(NC(=O)NCc2c(O)cccc2F)n1 930992072 LMVUSENUPOMHRK-SNVBAGLBSA-N 322.340 2.257 10 10 DECE C[C@H](NC(=O)NCCCCn1ccnc1)c1ccccc1O 868123375 FTCGEZSTOLMKDO-ZDUSSCGKSA-N 302.378 2.429 10 10 DECE C[C@H](NC(=O)NCCO[C@H]1CC1(F)F)c1ccccc1O 868767774 OEUJECNBGWHPDX-CABZTGNLSA-N 300.305 2.177 10 10 DECE Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(C2CC2)n1 862025788 AXZVWUDTOBTCLR-UHFFFAOYSA-N 322.368 2.481 10 10 DECE CC(=O)NCCc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 762244359 FLUHRDKJVPAKPY-UHFFFAOYSA-N 314.320 2.345 10 10 DECE CCN1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 895819465 JUGRTZPSAQKVME-SNVBAGLBSA-N 320.414 2.384 10 10 DECE COc1ccc(CNC(=O)c2ccc(F)c(C)c2N)c(O)c1 1139032908 TVNJCLYQALRCNL-UHFFFAOYSA-N 304.321 2.361 10 10 DECE Cn1cc(C2CN(c3ccc(CN)cc3Br)C2)cn1 1883012641 QJLDYEBFHADXIP-UHFFFAOYSA-N 321.222 2.245 10 10 DECE CCOc1ccc(C(=O)NCc2ccc(O)cc2O)cc1OC 1142533184 FYCFGCAEUCXESY-UHFFFAOYSA-N 317.341 2.435 10 10 DECE CC(C)(CO)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1149793332 RYJVUBJKRQIXSC-UHFFFAOYSA-N 306.366 2.378 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1C[C@]23CCCC[C@@]2(COC3)C1 1301443345 KWQDHXYOHFEGKN-ROUUACIJSA-N 317.385 2.060 10 10 DECE C[C@@H]1CCN(CCCCN=[N+]=[N-])C[C@@H]1NC(=O)C(F)(F)F 1962286770 CSKLEBVMUADGQN-ZJUUUORDSA-N 307.320 2.466 10 10 DECE OC[C@H]1CCC[C@H]1NCc1c(O)cccc1Br 706843230 PBFDBISAOOXLAL-BXKDBHETSA-N 300.196 2.405 10 10 DECE Oc1c(F)cc(Br)cc1CNC12CCN(CC1)C2 715745994 QCAYVFRSNMMUHB-UHFFFAOYSA-N 315.186 2.232 10 10 DECE C[C@H](NC(=O)N[C@@]1(C)CC(C)(C)OC1=O)c1ccccc1O 1349790473 YOOHGOWPBFLQRZ-QFYYESIMSA-N 306.362 2.237 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1-c1ncc[nH]1 1451203514 LAFPAWXIDRATPJ-UHFFFAOYSA-N 323.352 2.347 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CC(N)=O)cc1 1540459497 KETWUEWEDXCKIN-ZDUSSCGKSA-N 305.422 2.003 10 10 DECE O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1621422139 NASVCVMPDAPNIU-UONOGXRCSA-N 317.385 2.391 10 10 DECE COCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1733965276 HTHCGGLOWIVBEC-KGLIPLIRSA-N 308.422 2.023 10 10 DECE COc1ccc2c(c1)[C@@H](C(=O)NCc1cc(O)ccc1O)CC2 1644753523 BQXIQKLWNBQBDY-HNNXBMFYSA-N 313.353 2.453 10 10 DECE C[C@H](NC[C@@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 154506440 IMJCFDLGXGKTCQ-YJBOKZPZSA-N 303.450 2.268 10 10 DECE CCOC(=O)CN1C[C@H]2CC[C@H]1C[C@@H]2Oc1ccc(N)cc1 259405310 CGFSKDFVXARBSC-INWMFGNUSA-N 304.390 2.064 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)c1cc2c(cc1N)OCCO2 1914655183 OLFAZQJMPKSEGS-CYBMUJFWSA-N 314.385 2.427 10 10 DECE CCCOc1ccc(Br)cc1[C@H](O)C(=O)C(C)=O 1919047534 LJCOKEWWALWZBQ-ZDUSSCGKSA-N 315.163 2.429 10 10 DECE O=C1Nc2cc(N3CCS[C@@H]4CC[C@@H]43)c(Cl)cc2[C@H]1O 2152206530 MALIGRNZSXKSHO-CYZMBNFOSA-N 310.806 2.410 10 10 DECE NC(=O)[C@H]1CCC[C@@H](Nc2c(N)cccc2Br)C1 2029531193 YLJAVPHJMIYSPP-DTWKUNHWSA-N 312.211 2.487 10 10 DECE C[C@](CO)(NCc1cc(Br)ccc1O)C1CC1 304850555 XERWTVRBZJHCHJ-CYBMUJFWSA-N 300.196 2.405 10 10 DECE Nc1ccc(CS(=O)(=O)NC2C[C@@H]3CC[C@H](C2)S3)cc1 404039118 FTDIJUZKCUZJNF-AGUYFDCRSA-N 312.460 2.115 10 10 DECE OCC1CC(F)(CNCc2cccc(Br)c2O)C1 2049628806 AWRUZVLOWFPJPS-UHFFFAOYSA-N 318.186 2.355 10 10 DECE C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1N 715766909 ZEWABQCVGFHCCG-QPUJVOFHSA-N 317.202 2.463 10 10 DECE NCc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1Cl 2171544489 VGLRKGNWXJUOFA-CQSZACIVSA-N 311.882 2.426 10 10 DECE CN(C)c1ccc([C@](C)(N)c2cc(Br)nn2C)cc1 2098436623 AYMIVHPTOLKRQQ-AWEZNQCLSA-N 323.238 2.471 10 10 DECE C[C@H](O)c1ccc(N2CCC23CN(C)C3)cc1Br 2222682524 WNMZVWDIRUDAPD-JTQLQIEISA-N 311.223 2.397 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254113812 HZMGTYFXXWJWOH-GPCCPHFNSA-N 311.223 2.430 10 10 DECE CC[C@H](CNC(=O)NCc1cnc(SC)s1)CC(=O)O 2284545437 ZGGNQDZBHVEVCI-QMMMGPOBSA-N 317.436 2.165 10 10 DECE CS(=O)(=O)c1cscc1NC(=O)Nc1ccc(N)cc1 2288558599 ZEPYLDUXBMWDGU-UHFFFAOYSA-N 311.388 2.378 10 10 DECE CS(=O)(=O)C1CC(CN2CCCC[C@@H](CN=[N+]=[N-])C2)C1 2285348687 YEAXKOZFOWOVEQ-HIFPTAJRSA-N 300.428 2.222 10 10 DECE Oc1c(Br)cccc1CN1CCc2nccn2CC1 2337124376 FNQDJGJTGNNJDA-UHFFFAOYSA-N 322.206 2.410 10 10 DECE Cc1ccc(CN2CC(n3ccnn3)C2)c(O)c1Br 2352951396 HCPVSSZTPIGLNZ-UHFFFAOYSA-N 323.194 2.112 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]([C@H](C)O)C1 305840254 GWCZJNRKMLEEIK-WCQYABFASA-N 313.357 2.093 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)C[C@@H]1C[C@H]1C(F)(F)F 2358570735 VLKFGKRVYJEGEL-JQCXWYLXSA-N 312.317 2.336 10 10 DECE CCOC(=O)C[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 183184939 DYPIJFZKJRMKMT-OAHLLOKOSA-N 320.433 2.297 10 10 DECE COc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 33388361 UJYGUMNMACNTTM-WJDWOHSUSA-N 308.337 2.465 10 10 DECE COCC(C)(C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 254949117 HXPLITOLNMQDCS-TWGQIWQCSA-N 318.417 2.078 10 10 DECE OCC1(CNCc2cc3c(cc2O)OCO3)CC2(CCC2)C1 278604760 IFBAKZPHXJBCGB-UHFFFAOYSA-N 305.374 2.153 10 10 DECE O=C(CCn1cccn1)NCc1cc(Br)ccc1O 804737605 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302.422 2.260 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cccc2nccnc12 755534570 WUVANLDBUYCHSF-UHFFFAOYSA-N 309.325 2.014 10 10 DECE COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 861381930 GUHUSIVFMUUOMC-JTQLQIEISA-N 303.366 2.367 10 10 DECE C[C@@H]1C[C@H](NC2CN(c3ccncn3)C2)c2c(O)ccc(F)c21 866496758 WYTMQFNTMFPASX-MFKMUULPSA-N 314.364 2.348 10 10 DECE CCC(CC)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 776435245 ZWRNPKJRRYOYBE-UHFFFAOYSA-N 301.364 2.268 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 777822313 JJTFBOAXISDATH-SCXUMTSISA-N 320.345 2.132 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(N)ccc2O)C1 1959531248 LSAGDSJCHYHVTB-CYBMUJFWSA-N 307.394 2.073 10 10 DECE CCOC(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)nc1 1301046482 CBVKMXMIMNVIJN-UHFFFAOYSA-N 314.341 2.202 10 10 DECE C[C@@H](NCc1ccc(O)cc1O)[C@@H](C)NC(=O)OC(C)(C)C 394573255 UGBVGJXPGZSSCJ-GHMZBOCLSA-N 310.394 2.489 10 10 DECE O=C(O)[C@@H]1CC[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 712837041 QEIGFBKYALSYNE-VXNVDRBHSA-N 319.766 2.041 10 10 DECE COc1cc(C)cc(CN2C[C@H](O)CC3(CCOCC3)C2)c1O 1334403509 WJOPUXBHZDVTDZ-OAHLLOKOSA-N 321.417 2.073 10 10 DECE COCc1n[nH]c(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)n1 1333327660 OKZYQZDLJOJYKU-MNOVXSKESA-N 302.378 2.303 10 10 DECE C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1 1292011580 VESOTGSVSPGWNS-HZSPNIEDSA-N 320.433 2.123 10 10 DECE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)Cn1cccn1 1624740232 QJRDVGHLQBPTIZ-LLVKDONJSA-N 314.349 2.112 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCn3nccc32)cc1 1558070414 VIHMUNWHYTTXHT-LBPRGKRZSA-N 312.333 2.310 10 10 DECE COc1cc(C)ccc1OCC(=O)NCCc1ccc(N)cc1 152551024 IUKXWQKWRPIEDO-UHFFFAOYSA-N 314.385 2.324 10 10 DECE O=C(NCc1ncccc1Br)c1cccc(O)c1O 1653765820 AIVQXOSYHSFPNF-UHFFFAOYSA-N 323.146 2.185 10 10 DECE C[C@@H](N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1937554363 JBSGTJXEZBZNCS-BNOWGMLFSA-N 322.405 2.335 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](O)C2(C)C)c(Br)c1 2023142183 MICIRONYCTXQBH-PRHODGIISA-N 300.196 2.462 10 10 DECE C[C@H](N)c1ccc(N2C[C@H](O)C(F)(F)C2)cc1Br 2034598642 GBRGBMDAPYPLSS-CPCISQLKSA-N 321.165 2.285 10 10 DECE C[C@H](Cc1cccs1)NS(=O)(=O)Cc1ccc(N)cc1 71269553 MKYRCYSMXSBOKI-LLVKDONJSA-N 310.444 2.381 10 10 DECE C[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 309965723 FABPHTPHIXQBTD-DOMZBBRYSA-N 303.366 2.004 10 10 DECE CN(C[C@@]12COC[C@@H]1C2)c1ccc(CO)cc1Br 689317463 CIXYCAVBNUMHBY-FZMZJTMJSA-N 312.207 2.414 10 10 DECE CCN1CC(CN(C)c2ccc(CO)cc2Br)C1 692251361 CZOMSCRSWWWVJO-UHFFFAOYSA-N 313.239 2.329 10 10 DECE Oc1cccc(Br)c1CNCC12CCN(CC1)C2 715732115 MSBMKIUBKULSRE-UHFFFAOYSA-N 311.223 2.340 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C(N(C)C)[C@H]3C2)c(Br)c1 384973508 YGGDARVDWQDXAQ-DLOVCJGASA-N 324.266 2.465 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[C@@H]2C(F)(F)F)C1 2164675250 CBLKLUZTUJOPMQ-HLTSFMKQSA-N 312.317 2.289 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC(SC(F)F)C3)c(Cl)cc21 2196704047 KKIOAIQQJQPTMA-SNVBAGLBSA-N 319.764 2.436 10 10 DECE CN[C@H](c1ccccc1O)[C@]1(O)CS[C@@H](C(F)(F)F)C1 2189224677 MMZGYWYBTNPAAL-IJLUTSLNSA-N 307.337 2.452 10 10 DECE CC(F)(F)C1(NS(=O)(=O)Cc2ccc(N)cc2)CCC1 2190225644 YYWZCGMSYRKQHU-UHFFFAOYSA-N 304.362 2.266 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]3CO)c(Br)c1 2082969320 FLOABHJALGYGCP-ZMZKGCHWSA-N 311.223 2.286 10 10 DECE CN1CCc2cc([C@@H](N)c3cn(C)nc3Br)ccc21 2106856111 VUWCJPBAYPSUOI-CYBMUJFWSA-N 321.222 2.223 10 10 DECE CCC1(CS(=O)(=O)Nc2ccc(O)cc2Cl)COC1 2271573016 BRSNARIROZCTES-UHFFFAOYSA-N 305.783 2.214 10 10 DECE CSc1ncc(CNC(=O)[C@@](C)(N)CC(F)(F)F)s1 2269093806 PKIRXXNOCGNWCP-VIFPVBQESA-N 313.370 2.151 10 10 DECE Cc1ccc(N2NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 2296971369 UDGCXOBIXOVSQB-UHFFFAOYSA-N 323.308 2.365 10 10 DECE Cc1ccc(CN(C)[C@@H]2CC[C@H]2O)c(O)c1Br 2307564819 DUPQRTIEQRIAFH-GHMZBOCLSA-N 300.196 2.418 10 10 DECE CCCNCC(=O)NCc1ccc(C)c(Br)c1O 2327587268 WROIYROVNKVQKF-UHFFFAOYSA-N 315.211 2.079 10 10 DECE CN(C)c1ccc(CNC(=O)N2CCCN(C3CC3)CC2)cc1 57987864 FAJIFSAFPVINEG-UHFFFAOYSA-N 316.449 2.132 10 10 DECE N[C@H](Cc1ccc(O)c(O)c1)c1n[nH]c(-c2cccs2)n1 54700264 RONZPTLMZRAWOP-SECBINFHSA-N 302.359 2.187 10 10 DECE CCNCc1ccc(N2CCC(OCCO)CC2)c(Cl)c1 129120541 HEKIJWAQFXKQBO-UHFFFAOYSA-N 312.841 2.427 10 10 DECE NC(=O)[C@](CCC1CC1)(CSc1nccs1)NC1CC1 2366643840 SLHBQPBUAXVOOJ-AWEZNQCLSA-N 311.476 2.402 10 10 DECE Nc1ccc(N2C(=O)[C@H]3CC[C@@H](C3)C2=O)cc1Br 236393141 AGMDTKUWRJMGCX-YUMQZZPRSA-N 309.163 2.321 10 10 DECE C[C@@H](c1ccc(F)c(Br)c1O)N1CCNCC1 575274758 QTEIJJMSCKJOKA-QMMMGPOBSA-N 303.175 2.260 10 10 DECE CC1(C)OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 815561941 TUNAKBVWTYLZIX-INIZCTEOSA-N 308.397 2.319 10 10 DECE COC(=O)c1cc(COC(=O)c2ccc(C)c(O)c2O)c(C)o1 727004831 VXEOFLMKQVYYCA-UHFFFAOYSA-N 320.297 2.451 10 10 DECE Cc1cc(CC(=O)NCC[S@@](C)=O)c(C)n1-c1ccccc1 826701352 VDCOPRIMZYPFTD-JOCHJYFZSA-N 318.442 2.131 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCc2nc[nH]c2C1 821843563 UBDSGDXYMVBWOM-OAHLLOKOSA-N 324.428 2.431 10 10 DECE CN(C)c1ccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F 824653734 GTHGXKUYBXDCAB-HDMKZQKVSA-N 322.424 2.254 10 10 DECE Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1ccccn1 729106094 LFNGBBWLQBCTCM-AWEZNQCLSA-N 316.357 2.061 10 10 DECE COC[C@H](C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588485584 DYWJHXLCIOXZIE-KKTNHOPESA-N 319.401 2.362 10 10 DECE Cn1cc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cn1 588406708 LZBLNTATQHVCGZ-VSKVDJIOSA-N 313.357 2.208 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H](N3CCCC3=O)C2)cc1 835050642 RAJFJXXLYZWDMT-YWPBOTNQSA-N 313.445 2.463 10 10 DECE CN(C/C=C/c1ccc(N(C)C)cc1)CCN1CCCC1=O 835027522 FVKFXFAAAUCIJE-GQCTYLIASA-N 301.434 2.320 10 10 DECE CN(C)c1ccc(/C=C/CN2CC[C@@H](CS(C)(=O)=O)C2)cc1 835056491 VHVIBBFOCSAMLF-DWTRPJMMSA-N 322.474 2.132 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCOC2(C)C)c1 836552648 NHSPTDPESKVTAC-HZMBPMFUSA-N 308.378 2.329 10 10 DECE CCCN1CCC(CNC(=O)NCc2c(O)cccc2F)CC1 915678711 RELQPYPFHAMAIC-UHFFFAOYSA-N 323.412 2.453 10 10 DECE COCCN1CCC[C@@H]1CNCc1ccc(N(C)C)cc1C 840931211 DBOGCWBLHMOZQU-GOSISDBHSA-N 305.466 2.261 10 10 DECE CC[C@](C)(CO)C(=O)NCc1cccc(Br)c1O 847926867 CXSKGNCZGSCDLO-CYBMUJFWSA-N 316.195 2.180 10 10 DECE Cc1cc(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c(O)c1 687753142 JFHYVFNGEXROBX-VIFPVBQESA-N 311.334 2.447 10 10 DECE COc1ccc(N2CC[C@H](N[C@@H](C)C[C@H]3CCCN3)C2)cc1 849349487 ATWSXNLBXCEAGK-XHSDSOJGSA-N 303.450 2.394 10 10 DECE CCN(CC)c1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1F 858228009 XGVZHGYZSMLCMK-IAGOWNOFSA-N 310.413 2.301 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)c(C)c2O)C1 756759545 KSRXFUDHPHQDDL-UONOGXRCSA-N 305.422 2.463 10 10 DECE CN1CCC2(CC1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 854498556 SKJZEZFNOYAJHF-HYXAFXHYSA-N 316.401 2.055 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)c1O 863653805 PUSSQTYUGIWJNE-OADPDTJPSA-N 322.836 2.484 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1c(Cl)n[nH]c1C1CC1 866769781 PIIPADUHWJMGLZ-UHFFFAOYSA-N 307.737 2.282 10 10 DECE CC[C@H]1CN(C(=O)c2cc(O)cs2)CCN1CC(F)F 766247598 MIARMUZFVIBIOT-VIFPVBQESA-N 304.362 2.255 10 10 DECE C[C@H](NCc1nc(C2CCOCC2)n[nH]1)c1ccc(F)cc1O 866440510 GVSXOQBYZUWGKZ-JTQLQIEISA-N 320.368 2.394 10 10 DECE COCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCOCC1 868638252 FXVFDKKRDVAHEW-ZDUSSCGKSA-N 322.405 2.196 10 10 DECE CCN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 773887065 ABQWYHILLBVEJD-XIRDDKMYSA-N 301.434 2.229 10 10 DECE COCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 775881905 YYEHCSJDMUJPAE-UHFFFAOYSA-N 316.357 2.335 10 10 DECE COc1c([N+](=O)[O-])ccc(CN[C@]23CCC[C@H]2OCC3)c1O 872263550 GVKXSCRXIPVGLB-DOMZBBRYSA-N 308.334 2.110 10 10 DECE COc1ccc(O[C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 778924398 VHIYURKYDYFVCQ-LLVKDONJSA-N 317.341 2.190 10 10 DECE COC(=O)[C@@H]1[C@@H](CNCc2ccc(N(C)C)cc2C)C1(F)F 894256791 WODLAQRHLVLGOC-KGLIPLIRSA-N 312.360 2.205 10 10 DECE CC(C)C1(O)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897520884 GKYSXAZXISKRQZ-UHFFFAOYSA-N 307.371 2.155 10 10 DECE Cc1cccnc1CCCNC(=O)Cc1ccc(O)c(O)c1 1157817879 KFJRFDWTRILIBV-UHFFFAOYSA-N 300.358 2.093 10 10 DECE C[C@@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)O1 1162061426 YXPPEWNLNPKAJR-FOGDFJRCSA-N 304.350 2.392 10 10 DECE COc1ccc(CNC[C@H](C)CNC(=O)c2cnco2)cc1C 1267996705 MBHKPGIDPKUUKQ-LBPRGKRZSA-N 317.389 2.147 10 10 DECE C[C@H]1CCC[C@@](CNC(=O)Cc2ccc(O)c(O)c2)(N(C)C)C1 1291949798 ZPXBIJGVNMFDEM-SCLBCKFNSA-N 320.433 2.267 10 10 DECE C[C@H](NC(=O)c1ccnc2ccnn12)c1ccc(N(C)C)cc1 1523184931 IRQWKDIURIGRGK-LBPRGKRZSA-N 309.373 2.286 10 10 DECE COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1539718933 NCXWHJCUQGKOKT-UHFFFAOYSA-N 313.317 2.183 10 10 DECE COC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1541070868 UOOFHDHHMCOUEL-UHFFFAOYSA-N 316.313 2.457 10 10 DECE COc1cc(CC(=O)NCc2ccc(O)cc2O)ccc1C 1570462333 OVEISCXIIMMFTD-UHFFFAOYSA-N 301.342 2.274 10 10 DECE C[C@@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)c1ccccc1O 1587447213 MILOBKXYPZYPJA-BDJLRTHQSA-N 311.341 2.158 10 10 DECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)cc1O 1658517912 PLJJUJQPSGKXCI-UWVGGRQHSA-N 305.827 2.299 10 10 DECE Nc1ccc(CNC(=O)c2csnc2Br)cc1 1925269657 HVKUVISVONNRRT-UHFFFAOYSA-N 312.192 2.418 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@H](F)C2)c(Br)c1 1944244627 VMIYUDYXACKUAS-NYRNMGCKSA-N 304.159 2.021 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)cc1 2146370462 RFHPXCUTVSZSLT-NSHDSACASA-N 308.325 2.029 10 10 DECE C[C@@H](NCc1ccc(Cl)cc1O)[C@H]1CCCS(=O)(=O)C1 2146307618 BZZLPBHGCPYEGU-PWSUYJOCSA-N 317.838 2.349 10 10 DECE CN(CCOc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1977887280 BBBRQUKITPILJM-UHFFFAOYSA-N 321.421 2.199 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]([C@H](N)c2ccccc2O)CO1 1979171679 MNSCCYDRQDTVPJ-CORIIIEPSA-N 322.405 2.416 10 10 DECE C[C@H](NC(=O)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1989690856 XSJFMDIEPOUYGI-DRZSPHRISA-N 320.389 2.483 10 10 DECE CCCC(C)(C)NS(=O)(=O)CCOc1ccc(N)cc1 168834102 PMPPAWOFLFQBFJ-UHFFFAOYSA-N 300.424 2.146 10 10 DECE CC[C@@H](NCc1c(O)cccc1Br)C(=O)N(C)C 2038812233 KVSJSSJQEWGHAT-LLVKDONJSA-N 315.211 2.111 10 10 DECE C[C@H]1CN(c2ccc([C@@H](C)N)c(Cl)c2)C[C@@H](C)S1(=O)=O 400846874 OEIIKRUCTMAYJY-OUAUKWLOSA-N 316.854 2.372 10 10 DECE Oc1cc(Br)ccc1CNCC[C@H](O)C(F)F 716774637 NADHZZSUMFHIJZ-VIFPVBQESA-N 310.138 2.260 10 10 DECE CCc1nn([C@H](c2ccc(OC)cc2O)C(C)C)c(N)c1CO 2079978493 BDHPJYGNLISXCX-INIZCTEOSA-N 319.405 2.480 10 10 DECE CCS(=O)(=O)[C@H]1CCN(c2ccc([C@@H](C)N)c(Cl)c2)C1 2179891851 AVTXHLUCKVBWAY-PWSUYJOCSA-N 316.854 2.373 10 10 DECE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)N)c(Cl)c2)C1 2179891849 AVTXHLUCKVBWAY-CMPLNLGQSA-N 316.854 2.373 10 10 DECE C[C@@H](N)c1ccc(N2CCN(C)[C@@H]3C[C@H]32)c(Br)c1 2049380029 MXFHBIVGOFNZIS-OWYVNGRQSA-N 310.239 2.362 10 10 DECE O=C(O)[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1F 2057025229 JNXMLZFEMGFFPC-VHSXEESVSA-N 318.142 2.009 10 10 DECE C[C@H](NC(=O)c1cnc(Br)cn1)c1ccccc1O 2229000968 WYPPRQLPDDWTGU-QMMMGPOBSA-N 322.162 2.436 10 10 DECE Cc1ccc(CN2CC([C@@H](C)O)C2)c(O)c1Br 2307481588 GNODVVRCQRFUNC-SECBINFHSA-N 300.196 2.276 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311886276 FLOABHJALGYGCP-CBRVECNMSA-N 311.223 2.286 10 10 DECE CC(C)[C@H](CO)N(C)c1cc(Br)c(CN)cc1F 2318779553 SBAQQKLZMVWDDV-ZDUSSCGKSA-N 319.218 2.500 10 10 DECE Cc1ccc(CN=c2cc(F)nc[nH]2)c(O)c1Br 2327796123 BWZIQPYTBWGRFT-UHFFFAOYSA-N 312.142 2.426 10 10 DECE CCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12 21167846 NOYJZIIMKZIQSO-UHFFFAOYSA-N 315.417 2.224 10 10 DECE CCC(CC)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490909 LDDOACOZGZHKTC-LBPRGKRZSA-N 314.451 2.392 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cncc(O)c2)c1 182131623 CVPSJLMGXFTIOP-GQOHGMTASA-N 314.341 2.392 10 10 DECE CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1F 77800350 INPJGLMKNDGVEG-CZUORRHYSA-N 323.412 2.242 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)O[C@H](C)C3)c(Cl)cc21 92749797 BRSUMXWCCLXFDH-QIBSRJKCSA-N 309.797 2.166 10 10 DECE COC(=O)c1ccc(CNCc2c(O)cccc2OC)cc1 809733241 SKXCVOHWWCOXFX-UHFFFAOYSA-N 301.342 2.477 10 10 DECE C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[S@](=O)C1 294799629 VVSINTNZVWENJS-UGZDLDLSSA-N 305.802 2.385 10 10 DECE CC(C)(CO)[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CC1 811519453 XRSMKBBIBBLHTJ-SFHVURJKSA-N 318.461 2.410 10 10 DECE COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 822082608 NSUDUVNLTCYRNW-TUKIKUTGSA-N 304.390 2.129 10 10 DECE Cc1cc(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1C 825200896 HGCDNDKUDGXKII-HOCLYGCPSA-N 309.431 2.161 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(F)cc(Br)c1C 909688668 NNPGHVXUNPKIBT-UHFFFAOYSA-N 317.110 2.212 10 10 DECE CN(C)c1ccc(/C=C\CNCC2(N(C)C)CCOCC2)cc1 835041743 ZYFMXBDGLRJTPF-WAYWQWQTSA-N 317.477 2.466 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CNCC[C@@H]1C 841977623 NPALRYFHBXIAOX-DZGCQCFKSA-N 305.422 2.312 10 10 DECE Cn1nccc1[C@@H](O)CNCc1cc(Cl)cc(Cl)c1O 922973099 NKPMFIPUFULVGD-LBPRGKRZSA-N 316.188 2.256 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CCN(C)[C@H](C)C3)C2)cc1 850488090 LBJYJDJJDPUELR-PMPSAXMXSA-N 303.450 2.346 10 10 DECE Cc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)c(O)c1O 752911797 ONLJTJFXQZGWCS-LBPRGKRZSA-N 317.316 2.279 10 10 DECE COc1ccc(N2CC[C@H](N[C@H](C)c3ccnn3C)C2)cc1 850489128 QZJZENWEZWTXTD-KGLIPLIRSA-N 300.406 2.358 10 10 DECE COc1ccc(CNC(=O)NCc2ncc(C)cc2C)c(O)c1 926760965 SFCUDAGLUMINKA-UHFFFAOYSA-N 315.373 2.412 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[C@]12CCCO2 924025079 PWRRVJGKEFZAOI-ZBFHGGJFSA-N 308.353 2.432 10 10 DECE CCNC(=O)N1CC[C@H](N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1 756761946 VJYDLHHCCKERIW-NTZNESFSSA-N 321.396 2.473 10 10 DECE COC[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)OC 858187670 XUNRLNTZNSDGQW-GFCCVEGCSA-N 302.365 2.172 10 10 DECE Cc1cc(Cl)cc([C@H](C)N[C@H](CO)c2ccnn2C)c1O 858435585 MJYFECMKIPLGAK-GXFFZTMASA-N 309.797 2.472 10 10 DECE C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)[C@@H]1CCCO1 850082442 SGGGREFPHDTKOQ-BONVTDFDSA-N 308.330 2.029 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)NC1 861686222 WEQMWZXMVXILOW-ZBFHGGJFSA-N 318.465 2.425 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2C[C@H]2C2CCOCC2)c1 865784671 HRLQZZGWEFECEW-WFASDCNBSA-N 306.362 2.453 10 10 DECE O=C(C[C@@H]1Cc2ccccc2O1)NCCc1ccc(O)c(O)c1 866757013 GQJRATJLRIMDCT-AWEZNQCLSA-N 313.353 2.150 10 10 DECE CCCN(CCC)c1ccc(CNCc2nnn(C)n2)cc1 785616514 DHTNEAHHZGXVSN-UHFFFAOYSA-N 302.426 2.126 10 10 DECE Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O 1305069716 LVPHOWWYDXTUMS-UHFFFAOYSA-N 309.709 2.222 10 10 DECE C[C@]1(C(=O)NCc2c(O)ccc3ccccc23)CCNC(=O)C1 1179032461 HWRRMLWXNCLKHX-SFHVURJKSA-N 312.369 2.078 10 10 DECE CNCc1ccc(N2CC(N3CCCC3)C2)c(Br)c1 697749967 HPVXXEYJXFGSHW-UHFFFAOYSA-N 324.266 2.453 10 10 DECE CN(C)c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 1263894638 PDCZRUVPFMPLQW-UHFFFAOYSA-N 314.385 2.413 10 10 DECE COc1ncc(/C=C\C(=O)N(C)c2cccc(Cl)n2)cn1 1524840999 CUPFYXBRVYFMKO-SREVYHEPSA-N 304.737 2.210 10 10 DECE CN(CC(F)(F)C(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 1628725839 RTFKRNREWFVUOQ-UHFFFAOYSA-N 313.222 2.296 10 10 DECE COc1ccccc1C1(NC(=O)Cc2ccc(O)c(O)c2)CC1 1570594860 VCPVVQYWXSHTRN-UHFFFAOYSA-N 313.353 2.454 10 10 DECE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nccn1C 1586060756 DFQUPIYOYCAZOW-VIFPVBQESA-N 300.322 2.074 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914966340 DVKJXQVHVBWUIF-GFCCVEGCSA-N 301.342 2.121 10 10 DECE CC(C)(C)OC(=O)N1CC(OC[C@@H](N)c2ccccc2O)C1 1928466979 GQWNJOFOFGFTSL-CYBMUJFWSA-N 308.378 2.028 10 10 DECE O=C(NCCNCc1cccc(O)c1O)OCc1ccccc1 1929071769 UTZTYUHPZOCOCZ-UHFFFAOYSA-N 316.357 2.114 10 10 DECE CCNCc1ccc(N(CC)CCO)cc1Br 233514654 DJPHAZPHUOSVCB-UHFFFAOYSA-N 301.228 2.377 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@]1(C)c1cccc(N)c1O 1953011647 QFVFPARKGVVHGS-MRXNPFEDSA-N 308.378 2.457 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)N1CC(N=[N+]=[N-])C1 1985100324 FNKNGNOMNJQMNR-QWRGUYRKSA-N 323.397 2.401 10 10 DECE CC1(C)OC[C@@H](CNCc2ccc(Br)cc2O)O1 691487193 JHEVOHULXAPCGL-LLVKDONJSA-N 316.195 2.396 10 10 DECE CN(C)Cc1cn(Cc2cc(C(F)(F)F)ccc2O)nc1O 2070723218 HJCJZILBSHTDNQ-UHFFFAOYSA-N 315.295 2.423 10 10 DECE CC(C)(CC(F)(F)F)NS(=O)(=O)Cc1ccc(N)cc1 2190274519 XNOWZPBOOKVCBU-UHFFFAOYSA-N 310.341 2.419 10 10 DECE CN1C[C@@H]2C[C@H](C1)CN2Cc1ccc(Br)cc1O 2042497055 LMRWNPTXCMPRMI-MFKMUULPSA-N 311.223 2.291 10 10 DECE NCc1ccc(N2CC[C@]3(C2)C[C@@H](O)C3)cc1Br 2062062242 FPRRUSDLCIWRHW-XBXGTLAGSA-N 311.223 2.259 10 10 DECE CCOCCOCCOCCSc1ncc([C@@H](C)O)s1 2240468667 KTKAHKPGWAYKDH-LLVKDONJSA-N 321.464 2.358 10 10 DECE Oc1c(Br)cccc1CNCc1nn[nH]c1C1CC1 2336992212 JRNSSMJATLFJCH-UHFFFAOYSA-N 323.194 2.440 10 10 DECE O=C(c1cc(O)c(O)c(O)c1)N1CCc2[nH]c3ccccc3c2C1 170190469 JSHQKSXJVFQNAP-UHFFFAOYSA-N 324.336 2.483 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1ccncc1 184205226 LSZVBCMEOXXJQX-UHFFFAOYSA-N 312.373 2.256 10 10 DECE C[C@H](N)c1ccc(N2CCN(CCN(C)C)CC2)cc1Cl 78927442 UNVUTYCBMWRJAE-ZDUSSCGKSA-N 310.873 2.043 10 10 DECE C[C@H](NCC[S@@](C)=O)c1ccc(Br)cc1O 134921882 FWPPJYGJLPPILO-PWJLMRLQSA-N 306.225 2.184 10 10 DECE Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C=[N+]=N)cc1 96295105 PGROZJJFANRAGV-UHFFFAOYSA-O 316.362 2.288 10 10 DECE CN1CCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 266830300 ZHHAZEVUDSSLKI-AWEZNQCLSA-N 317.433 2.164 10 10 DECE COc1cc(O)c(CN2CC[C@]3(CCCOC3)C2)cc1OC 368497062 VAUJJVTURKOQSJ-QGZVFWFLSA-N 307.390 2.412 10 10 DECE NCc1ccc(N2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1Cl 2163292975 XMZMCDIVXUHYAQ-KOLCDFICSA-N 308.731 2.406 10 10 DECE CC(=O)C(=O)COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 808522878 ACFYWDOHINXTBQ-LLVKDONJSA-N 319.140 2.118 10 10 DECE CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)[C@H]1n1cccn1 815166974 NJYFXQKJWITSAI-KZNAEPCWSA-N 314.433 2.457 10 10 DECE CCOc1ccc(O)c(CN2CC[C@H](CN3CCOC3=O)C2)c1 824451346 UIAAMRRPWVAEJW-ZDUSSCGKSA-N 320.389 2.065 10 10 DECE Cc1cc(N(C)C)ccc1CN[C@H]1CC[C@@H](C)S(=O)(=O)C1 827164755 MMIMEBHTVSBTHD-HIFRSBDPSA-N 310.463 2.116 10 10 DECE CNC(=O)c1cccc(N(C)Cc2cccc3c2CCNC3)c1 903575981 XLBLDLVWJRWCFJ-UHFFFAOYSA-N 309.413 2.328 10 10 DECE CN(C)c1ccc(/C=C\CNCc2nc(N(C)C)no2)cc1 835047660 TWTLYKURTZWHNZ-WAYWQWQTSA-N 301.394 2.005 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@@H](CS(C)(=O)=O)C2)cc1 835056493 VHVIBBFOCSAMLF-YIEVGGLXSA-N 322.474 2.132 10 10 DECE COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H]3CCCCN32)c1 901129170 AGYIAGRPTPSAFQ-UKRRQHHQSA-N 304.390 2.034 10 10 DECE CNC(=O)[C@@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 835025945 OPWDDOWJAMKPAJ-TUYSUELWSA-N 301.434 2.366 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](C)C1 847400173 ZVGCFQVLGZUQPG-HNNXBMFYSA-N 303.450 2.443 10 10 DECE C[C@H]1N(C(=O)NCCc2ccc(N)cc2)CCC12CCOCC2 841958599 GLZFFOGHZKBNES-CQSZACIVSA-N 317.433 2.412 10 10 DECE CCOc1cccc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c1O 840978061 ZRYLSRHXNAHGMO-AWEZNQCLSA-N 306.406 2.280 10 10 DECE CCN(CC)c1ccc(CN(C)C[C@H]2CC3(CNC3)CO2)cc1 923317807 GYHOAQZUVARWCC-GOSISDBHSA-N 317.477 2.343 10 10 DECE C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCc2ccccc21 846321876 HFOUICCMJRHJIW-ZDUSSCGKSA-N 323.396 2.396 10 10 DECE O=C(CCCc1nc(C2CC2)no1)NCc1c(O)cccc1F 928704520 AUPZQTNHKFIYDZ-UHFFFAOYSA-N 319.336 2.431 10 10 DECE C[C@@H]1OC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C 924760112 OHPIZVCRJBFBLI-VCBZYWHSSA-N 318.461 2.408 10 10 DECE COC(=O)C1=CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 868802603 DEAVRWMWSWTXAM-PWSUYJOCSA-N 304.346 2.014 10 10 DECE C[C@H](NS(=O)(=O)CCC[C@H]1CCOC1)c1ccccc1O 867836547 XHHOPDMATQOJNE-STQMWFEESA-N 313.419 2.189 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 934940111 IGNQGWHKNOZRSP-MSHNEEPSSA-N 303.358 2.001 10 10 DECE CO[C@@H]1CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 862024777 GLLWATCBQCHFFB-TZMCWYRMSA-N 300.358 2.372 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C(C)(C)C)nn1 935947735 DHPWCPIXXYQFHL-UHFFFAOYSA-N 323.393 2.154 10 10 DECE C[C@@](O)(C[C@H](O)CNCc1ccc(N2CCCC2)cc1)C1CC1 872198744 ZNOAQDCLGPINPH-RBUKOAKNSA-N 318.461 2.288 10 10 DECE Cc1ncc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 773739129 BCGDTVBYJPNXKI-QMMMGPOBSA-N 321.764 2.211 10 10 DECE C[C@@H](NC(=O)CCc1ccnn1C)c1ccc(N(C)C)cc1 773016291 AYWJTKGXAZCJGZ-CYBMUJFWSA-N 300.406 2.296 10 10 DECE CCOC(=O)c1cccc(N)c1N[C@@H]1CCCC12OCCO2 1876469424 ZRYJUKIJYZLBTK-CYBMUJFWSA-N 306.362 2.153 10 10 DECE CC(C)(C)OC(=O)NCCONCc1c(O)cccc1F 1955543263 FCJOIBKBJATDPP-UHFFFAOYSA-N 300.330 2.077 10 10 DECE COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 890631600 NNYLBSNIXOQKIK-ZDUSSCGKSA-N 323.370 2.240 10 10 DECE Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(N)cc1F 1137464782 PHROQTXKGVKNPX-UHFFFAOYSA-N 304.321 2.100 10 10 DECE C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(O)cs1)C[C@@H](C)O2 798118978 PQXPSIGNFAMBGW-UEKVPHQBSA-N 311.403 2.252 10 10 DECE C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc2c(cc1O)CCC2 795703375 RTBHFJQVTROQJB-KBXCAEBGSA-N 316.445 2.176 10 10 DECE O=C(O)[C@@H](NCc1c(O)cccc1Br)C1CC1 706621302 AZZFYQZTPKEYPO-NSHDSACASA-N 300.152 2.108 10 10 DECE C/C(=C/C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cnccn1 1351152417 COJFQRDUNQPXQQ-FLIBITNWSA-N 310.313 2.377 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncc2cc(Cl)ccn12 1445903205 TWPMOSJPQDBHPN-UHFFFAOYSA-N 317.732 2.329 10 10 DECE COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OC 1455351851 YXJYCPKAOFFBLI-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CC(C)NC(=O)c1c(NS(C)(=O)=O)sc2c1CCCC2 1871343602 XXAWPRUNFZHOFR-UHFFFAOYSA-N 316.448 2.137 10 10 DECE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1C[C@@H](O)C1 1468657947 VWLKTRBJETXKOX-TXEJJXNPSA-N 308.341 2.106 10 10 DECE COc1ccc(CNC2(CNC(=O)C(F)F)CCC2)cc1C 1484620913 CFMWUXDWHTXWKE-UHFFFAOYSA-N 312.360 2.397 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCOC1CCCCCC1 1565764075 BCKOKOMCXSUZCN-UHFFFAOYSA-N 307.390 2.496 10 10 DECE CCS(=O)(=O)CCCN1CCc2cc([C@H](C)NC)ccc21 162163154 WMDPDBGYGFDCFR-ZDUSSCGKSA-N 310.463 2.154 10 10 DECE Oc1cc2c(cc1CN1CCC(Cn3ccnn3)CC1)CCC2 157031393 BUUDEOQAGXTANP-UHFFFAOYSA-N 312.417 2.385 10 10 DECE CCOc1cccnc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860083086 CRONHLZMWDUDNZ-NSHDSACASA-N 301.346 2.469 10 10 DECE CCN1C[C@@H]2C[C@H]1CN2c1ccc(CNC)c(Br)c1 2131048249 JWIVDBAINQULTB-KBPBESRZSA-N 324.266 2.451 10 10 DECE C[C@@H](CO)N(CC(=O)Nc1ccc(N)cc1)Cc1ccccc1 1914350319 IIRJWWSGWQJXQW-AWEZNQCLSA-N 313.401 2.090 10 10 DECE O=S1(=NCCNCc2ccc(Cl)cc2O)CCCC1 1913864943 FDRFBFBMHOMEQD-UHFFFAOYSA-N 302.827 2.397 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(C)CCF)c(Br)cc21 1917036523 RKHAGILKHKGCHL-LLVKDONJSA-N 316.174 2.067 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N(C)CCF)c(Br)cc21 1917036524 RKHAGILKHKGCHL-NSHDSACASA-N 316.174 2.067 10 10 DECE COc1ccc(CN[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1984414093 CPKBGNSCXKHXEQ-OCCSQVGLSA-N 322.405 2.404 10 10 DECE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(N)c1ccc2c(c1)CCN2C 1985753467 RYLIPYSWWDIPNK-XIKOKIGWSA-N 317.433 2.472 10 10 DECE C[C@H](NCc1c(O)cccc1Cl)[C@H]1CCCS(=O)(=O)C1 2146099781 HIFFOFRYWXNDSZ-QWRGUYRKSA-N 317.838 2.349 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](O)C3(CC3)C2)c(Br)c1 2032399490 DMBVLRZTJYTRTE-NOZJJQNGSA-N 311.223 2.430 10 10 DECE NCc1ccc(N2C[C@H](O)C3(CC3)C2)c(F)c1Br 2032403935 VFQVTLAWAWNHGN-JTQLQIEISA-N 315.186 2.008 10 10 DECE Nc1ccc(OCC(=O)Nc2cncc(Br)c2)cc1 311319221 BEDNHMCUIDAUTA-UHFFFAOYSA-N 322.162 2.444 10 10 DECE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)C[C@@H]1CO 700398391 GTFKGYRTNIPVQE-ZYHUDNBSSA-N 314.223 2.396 10 10 DECE N[C@@H]1CC=C(C(=O)N2CCc3cc(Br)ccc32)C1 637907001 FNOYOSRPSLWDEJ-GFCCVEGCSA-N 307.191 2.386 10 10 DECE Nc1ccc(CC(=O)NCc2ccn(Cc3ccccc3)n2)cc1 390022210 JSWYHNOOXNLOLF-UHFFFAOYSA-N 320.396 2.373 10 10 DECE COc1ccc([C@H](C)n2nc(C3(C)CC3)c(CN)c2N)c(O)c1 2080056108 OTEMPPFMLIIJKI-JTQLQIEISA-N 316.405 2.299 10 10 DECE CC[C@@H](C)[C@@H](NCc1ccc(Br)cc1O)C(N)=O 2264217516 KVVDUOHGBWUTCG-PRHODGIISA-N 315.211 2.144 10 10 DECE CCn1nccc1C=CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 2308464764 LAOJZYCPQYISEX-GFCCVEGCSA-N 315.373 2.075 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)c(Br)c1 2311862328 JDXSJFYUNHQPAY-ORMVGFHCSA-N 312.207 2.319 10 10 DECE CC(C)[C@H](CO)N(C)c1ccc(CN)c(Br)c1F 2318782895 PZUODYYHKDLFTA-NSHDSACASA-N 319.218 2.500 10 10 DECE Cc1ccc(CN[C@H]2C[C@H]3CN[C@H]2C3)c(O)c1Br 2327797995 AZXPSCPUPSDYRG-DLOVCJGASA-N 311.223 2.303 10 10 DECE COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1 178127040 ZMWGPUZZKLIUER-PBHICJAKSA-N 318.417 2.301 10 10 DECE C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490505 AURDOTICHWTCES-IUODEOHRSA-N 312.435 2.146 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC[C@@H](C)C1 222708879 BJQBRJZZYWTYQM-CYBMUJFWSA-N 311.451 2.067 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cc(Br)cs1 90260622 QFWRBETWLULFHJ-MRVPVSSYSA-N 318.200 2.327 10 10 DECE COc1cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c(O)cc1C 245541727 OSNVODYXSFJEPB-BFYDXBDKSA-N 321.417 2.478 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)NCc1ccccc1O 2164644776 SDHXLGOBTKCIBK-GHMZBOCLSA-N 305.346 2.103 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)c1ccnc(Cl)c1 2162750527 ATLYWODKNKIEGJ-UHFFFAOYSA-N 311.794 2.138 10 10 DECE COc1ccc(CNC(=O)[C@@H]2CCc3cccc(O)c32)c(O)c1 816550266 MRLPKDVJWMEPKB-CQSZACIVSA-N 313.353 2.453 10 10 DECE CCN(C)c1ccc(CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)cc1 829460169 SXUQOMSCBWNHAJ-HNNXBMFYSA-N 314.437 2.021 10 10 DECE CN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)C1 588408374 YBRCAJCQWWOLBW-JFOCPDPESA-N 316.401 2.054 10 10 DECE COc1cc(CN2CC[C@@H](Nc3ncccn3)C2)c(O)cc1C 842617821 WVAZLQQHBFXJGF-CQSZACIVSA-N 314.389 2.186 10 10 DECE Cc1cc(O)c(CNC[C@H]2CCCCN2CCO)c(Cl)c1 840950499 JRHCLVSOHVPINX-CYBMUJFWSA-N 312.841 2.290 10 10 DECE Nc1ccc(NC(=O)C(=O)N2C[C@H]3C[C@]3(c3ccccc3)C2)cc1 927830811 WYQKUBVYATVGAV-AUUYWEPGSA-N 321.380 2.007 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2CCN)c1 846676388 DOIGFNGEIHAMEL-LBPRGKRZSA-N 314.385 2.393 10 10 DECE O=C(C[C@@H]1CSCCS1)NCc1c(O)cccc1F 928704817 DPVGGVQBQXRCJO-SECBINFHSA-N 301.408 2.386 10 10 DECE C[C@@H]1CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)CS1(=O)=O 850371045 TXZZYXQTJARHKL-PJFORWJISA-N 322.474 2.321 10 10 DECE CSc1ncc(CN=c2cc(Br)cn[nH]2)s1 2243831605 BXLOMJDPRJFDNI-UHFFFAOYSA-N 317.237 2.452 10 10 DECE CN1CCOc2cc([C@H](N)CNC(=O)OC(C)(C)C)ccc21 687732188 DHEXWMUFAOSEQL-GFCCVEGCSA-N 307.394 2.040 10 10 DECE COCCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 855234436 ZWGBWHDHJAHRDI-CQSZACIVSA-N 318.417 2.207 10 10 DECE Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)c(O)c1O 780994365 WCVJGFCZWXQIEG-QWHCGFSZSA-N 305.374 2.295 10 10 DECE CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cc(O)ccc2O)C1(C)C 1153885906 RVCYVOHSCWSJKN-OCCSQVGLSA-N 305.374 2.355 10 10 DECE COc1cccc(CNC(=O)c2ncnc3sccc23)c1O 1150543989 WKJPRNDAZVPELW-UHFFFAOYSA-N 315.354 2.336 10 10 DECE COc1ccc(Br)c(CNCc2ncc[nH]2)c1O 1964564722 WBMYHIINDUZPFI-UHFFFAOYSA-N 312.167 2.176 10 10 DECE CN(C)C[C@H]1CCN(c2ccc(CN)cc2Br)C1 708465414 VSNXKHYUNNIQGD-GFCCVEGCSA-N 312.255 2.296 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2CNC[C@@H]2C1 691489908 YXFGHPUXOFSCCH-CMPLNLGQSA-N 311.223 2.196 10 10 DECE CO[C@]1(CO)CCCN(Cc2ccc(N3CCCC3)cc2)C1 1333865253 SNWBPXPLLVCHCV-GOSISDBHSA-N 304.434 2.260 10 10 DECE CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1566943101 USNAEFDIILFKTO-WCQYABFASA-N 304.350 2.394 10 10 DECE C=C1c2ccccc2C(=O)N1CC(=O)NCc1cc(C)ccc1O 1584983066 BFMBVORIXQXRNO-UHFFFAOYSA-N 322.364 2.444 10 10 DECE CO[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1674235359 LPFOTEHHMNCFCZ-AWEZNQCLSA-N 305.422 2.463 10 10 DECE Cc1cc(=Nc2cc(C(=O)O)ccc2O)[nH]c2c1c(C)nn2C 1859858079 YZCKYCPDZBMSQD-UHFFFAOYSA-N 312.329 2.154 10 10 DECE COC(=O)c1sc(NC(=O)Cc2ccc(N)cc2)nc1C 1865956719 GCWYMDYHALFYPE-UHFFFAOYSA-N 305.359 2.002 10 10 DECE CNCC=C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951692615 CAWBTENPOOHSHK-CYBMUJFWSA-N 322.405 2.309 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3ccccc3N)[C@H]2C1 1984022320 PIAQGQJRPXIMGF-DFBGVHRSSA-N 319.405 2.315 10 10 DECE Cc1cccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1O 1994451225 IEVOMXIOBSQZAK-UHFFFAOYSA-N 320.389 2.374 10 10 DECE O=C(O)C[C@@H]1CCN1Cc1c(O)cccc1Br 2001242066 DNJOEVUAELEMJB-QMMMGPOBSA-N 300.152 2.204 10 10 DECE Cc1nnc(CCNCc2cc(Cl)cc(Cl)c2O)n1C 2160421364 MAVSBRZCRLCZSE-UHFFFAOYSA-N 315.204 2.468 10 10 DECE COC[C@]12C[C@H]1CN(c1ccc(CO)c(Br)c1)C2 2046794677 RWDJRKANKMZDGR-SMDDNHRTSA-N 312.207 2.414 10 10 DECE CC(C)(C)OC(=O)NC/C=C\CNC(=O)Nc1ccc(N)cc1 2243618956 XCLADJBQCZHYHG-PLNGDYQASA-N 320.393 2.471 10 10 DECE CCNCc1ccc(N(CCOC)C[C@H](C)O)cc1Cl 2288063930 WDBTYLWHMOFAGC-LBPRGKRZSA-N 300.830 2.283 10 10 DECE CSc1ncc(CNC(=O)C[C@@H]2C[C@H](N)C23CCC3)s1 2284680065 HQXYPJAVXQVUHI-ONGXEEELSA-N 311.476 2.389 10 10 DECE CN[C@H](C)c1ccc(N(CCOC)C[C@H](C)O)cc1Cl 2288059074 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C[C@@H](NCCCCCO)c1ccc(N2CCC(O)CC2)cc1 192933622 WVNPCCOWJFKSHP-OAHLLOKOSA-N 306.450 2.461 10 10 DECE NCc1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1Cl 709789068 XMZMCDIVXUHYAQ-GXSJLCMTSA-N 308.731 2.406 10 10 DECE C[C@]12COC[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)C2 827280541 FYPYWKOSQRUMCQ-QAPCUYQASA-N 320.408 2.131 10 10 DECE COC(=O)COc1ccc(N(C)Cc2cnn3c2CCC3)cc1 825497700 NSYWCJSEWWMIMA-UHFFFAOYSA-N 315.373 2.018 10 10 DECE Cc1nn(C)cc1[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 588408198 HNFGSUPIRICTNY-ONRRBMGISA-N 301.346 2.030 10 10 DECE Cc1cc(Cl)cc(CN[C@H]2CCc3c(nnn3C)C2)c1O 848926759 YGBIHMAABRMYPT-LBPRGKRZSA-N 306.797 2.130 10 10 DECE Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(Cl)c1 840901658 LZZDUWIINCGKBY-WDMOLILDSA-N 308.809 2.453 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCNC[C@H]1C 841986048 LIBNSNUHISLDNS-HIFRSBDPSA-N 305.422 2.312 10 10 DECE CN(Cc1c(O)ccc2ccccc12)C[C@H]1CCS(=O)(=O)C1 740867068 LRQJIKHFAGXUGX-CYBMUJFWSA-N 319.426 2.412 10 10 DECE N[C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 843058392 QVNNZSUJZKBAND-NZSAHSFTSA-N 315.461 2.082 10 10 DECE Cc1cc(O)c(CN2CCN(CCO)C(C)(C)C2)c(Cl)c1 840940069 TXNNMRPRBLYLPW-UHFFFAOYSA-N 312.841 2.243 10 10 DECE Cn1nc2c(c1C(=O)NCc1c(O)cccc1F)CCCC2 928704546 BQWNRXYXVZOSNM-UHFFFAOYSA-N 303.337 2.074 10 10 DECE CN(C)[C@@H]1CCc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 857931074 UXLGOFBJLOCAAS-SECOEOQKSA-N 322.412 2.399 10 10 DECE CN(C)c1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1 850350629 UKEDQBHRZTYAJL-HXUWFJFHSA-N 308.369 2.153 10 10 DECE O=C(NCc1cc(Cl)ccc1O)c1cccn(C2CC2)c1=O 869146313 GRQBGZYXHFOYGT-UHFFFAOYSA-N 318.760 2.472 10 10 DECE C[C@H](NC(=O)[C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 1138364083 SGTNQQQHNICRJW-SWLSCSKDSA-N 313.405 2.099 10 10 DECE CO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F 1145060953 YYWJRSUWTHZCIQ-SECBINFHSA-N 318.255 2.156 10 10 DECE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2O)n1 1151885802 IILGBUUSVYHVJP-SECBINFHSA-N 304.306 2.008 10 10 DECE CC(C)(CNCc1c(O)cccc1Cl)CS(C)(=O)=O 723882053 GLWJNZYRCHHIRT-UHFFFAOYSA-N 305.827 2.206 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@@]1([C@@H]2CCCCO2)CCCO1 1263767387 UJYOEYLXQXPUOY-WMZOPIPTSA-N 319.401 2.469 10 10 DECE CCOC(=O)[C@@](C)(CNC(=O)c1cccc(O)c1O)CC(C)C 1456096878 AGWYAKNCJHRSDS-QGZVFWFLSA-N 323.389 2.443 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCOC1 1707861777 VCJDSVXOCRTGTR-AWEZNQCLSA-N 316.405 2.355 10 10 DECE C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1569703313 NTBCYCSXHPRDSR-BONVTDFDSA-N 304.350 2.130 10 10 DECE C[C@@H](CN(C)CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1569153042 OHPYDYSJHNVXAI-NSHDSACASA-N 317.393 2.309 10 10 DECE CC(C)c1n[nH]c(CNC(=O)NCc2cccc(Cl)c2O)n1 1682654197 BQFWQNYICFVLDE-UHFFFAOYSA-N 323.784 2.287 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 1772947942 PVVCEZITZWVMEY-SCXUMTSISA-N 320.345 2.132 10 10 DECE CCCN(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1699476330 LETXPFPGFYLBJN-LLVKDONJSA-N 305.382 2.309 10 10 DECE CCCN[C@@H](C)c1ccc2c(c1)CCN2CCS(C)(=O)=O 162189531 RYDALQRYYXNDNO-ZDUSSCGKSA-N 310.463 2.154 10 10 DECE NC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccccn2)S1 208337801 IREKYWLRFVJOSF-UKTHLTGXSA-N 324.365 2.263 10 10 DECE COc1ccc(Br)c(CN2CC[C@@H](N)[C@H]2C)c1O 1205189570 BQWYDZLXDJPVLD-LDYMZIIASA-N 315.211 2.085 10 10 DECE CN(CC(C)(C)CO)c1ccc(CO)c(Br)c1 1945722272 DALHIATWFKLLJJ-UHFFFAOYSA-N 302.212 2.396 10 10 DECE COCC1(C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1973661993 CKNRVIMWRCSRNS-UHFFFAOYSA-N 320.172 2.232 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H](NCc2ccc(O)c(O)c2)C1 1978877641 PPMBMMUTYCJUIH-ZDUSSCGKSA-N 320.389 2.363 10 10 DECE CC1(C)C[C@H](NCc2ccc(Br)cc2O)[C@H]1O 1998372412 MMROUGBESDYIDF-CMPLNLGQSA-N 300.196 2.404 10 10 DECE Nc1ccc(CNC(=O)c2csc(Br)n2)cc1 1999009469 REPWHVYESPGASL-UHFFFAOYSA-N 312.192 2.418 10 10 DECE CN(C(=O)c1ncc(Br)cn1)c1ccc(N)cc1 2027317258 RGYOJLFCFGKWCW-UHFFFAOYSA-N 307.151 2.098 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2O)nn1C(C)(C)C 2063567698 CWEHMCZMPFPJOC-UHFFFAOYSA-N 303.362 2.288 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2CCNC[C@@H]21 2185530445 UKZXDXHMRCCUPE-QWHCGFSZSA-N 317.216 2.262 10 10 DECE OCc1ccc(N2C[C@@H]3CC[C@]3(CO)C2)c(Br)c1 2078149994 CNRSPWJFMNNAOJ-SMDDNHRTSA-N 312.207 2.150 10 10 DECE Cc1cccc(CNS(=O)(=O)C[C@@H]2CC[C@H](F)C2)c1O 2204610463 OJVCYKFLNOGANF-YPMHNXCESA-N 301.383 2.258 10 10 DECE CSc1ncc(CNC[C@H](C(=N)NO)C(F)(F)F)s1 2269260640 OGCBMPVRWXLONM-ZCFIWIBFSA-N 314.358 2.089 10 10 DECE CS(=O)(=O)c1cscc1CN1CCC[C@@H]1CN=[N+]=[N-] 2272886523 WTLSADYRJRNDKI-SNVBAGLBSA-N 300.409 2.426 10 10 DECE CN(c1cc2c(cc1N)OCCO2)C1CSCCSC1 2237047389 QCVPDKNJICMELT-UHFFFAOYSA-N 312.460 2.325 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)NCCCCN=[N+]=[N-] 2243540488 CXQLOZGAGNXIOB-UEKVPHQBSA-N 323.397 2.496 10 10 DECE O=C(CCCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 2297724956 HWXNTOZPDAXJHI-KRWDZBQOSA-N 315.369 2.270 10 10 DECE C[C@H](O)c1ccc(N(C)CC2(O)CC2)c(Br)c1 2301882186 QEZNRFCWVRZEAT-VIFPVBQESA-N 300.196 2.464 10 10 DECE Cc1ccc(CN2CC[C@H](CO)C2)c(O)c1Br 2307440472 YWXDVIMQIVLMFA-JTQLQIEISA-N 300.196 2.277 10 10 DECE Cc1ccc([C@H](O)CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2307989988 RXSASKJFPBJMPT-QGZVFWFLSA-N 313.353 2.269 10 10 DECE CN1N=C(C(F)(F)F)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C1=O 2332144785 NMKRGNKHTAYTKP-UHFFFAOYSA-N 315.207 2.074 10 10 DECE CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 20603744 TVOXIHMBBOWEKY-QGZVFWFLSA-N 319.449 2.042 10 10 DECE CSc1ncc(CNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2)s1 2359403626 FJNPMVQEGIRZOQ-ZMLRMANQSA-N 311.476 2.402 10 10 DECE CC(=O)N1CC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 173215153 KZYFFKYLMKMYBL-UHFFFAOYSA-N 311.385 2.055 10 10 DECE Cc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC(F)F 182049466 CJHGEORQZCFKHR-UHFFFAOYSA-N 324.283 2.030 10 10 DECE Nc1ccc(NC(=O)Nc2ncc(Br)cn2)cc1 217313700 PHAZHZZOVWSELH-UHFFFAOYSA-N 308.139 2.465 10 10 DECE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1 73778679 QLDDPLORUFMMNV-DOTOQJQBSA-N 319.449 2.493 10 10 DECE CCOc1ccc(O)c(CN[C@H](CO)Cc2ccccc2)c1 131515241 GFXOAFPJIJPWSC-INIZCTEOSA-N 301.386 2.484 10 10 DECE O=C(Nc1ccc(O)cc1C(=O)O)c1csc([N+](=O)[O-])c1 48847186 KMQATFHPJFCXTP-UHFFFAOYSA-N 308.271 2.312 10 10 DECE CC(=O)N(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 193112227 VTPFQHGUHQQDCZ-UHFFFAOYSA-N 300.314 2.333 10 10 DECE COc1ccc(N2CCCN(CCn3cc(C)cn3)CC2)cc1 370259707 DJJWYEQHCUSDPU-UHFFFAOYSA-N 314.433 2.412 10 10 DECE CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN2CCO[C@H]1C2 295109137 LJJDPCOVRGXBSS-HIFRSBDPSA-N 314.788 2.090 10 10 DECE CC(=O)C(=O)COC(=O)C1(c2cccc(Cl)c2)CCOCC1 808508047 PKFXPIFMPJINPG-UHFFFAOYSA-N 324.760 2.090 10 10 DECE C[S@@](=O)CC1CN(c2ccc(C=CC(=O)O)c(Cl)c2)C1 2166647051 BBLNZNCFNDAAFM-HXUWFJFHSA-N 313.806 2.253 10 10 DECE CC(=O)C(=O)COC(=O)CCc1ccc(OC(F)(F)F)cc1 808514300 XEGYHZBYFBVRTN-UHFFFAOYSA-N 318.247 2.219 10 10 DECE Oc1ccc(OC(F)(F)F)cc1[C@H](CF)N1CCNCC1 575265344 RLJQUAYAUXESFP-NSHDSACASA-N 308.275 2.207 10 10 DECE Cc1cn(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1 907272063 DHNQUDGFMRNFQT-NSHDSACASA-N 317.389 2.085 10 10 DECE COCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 839571582 QHPIJWZNKKXKCL-UHFFFAOYSA-N 320.433 2.202 10 10 DECE CN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCS(=O)(=O)C1 835025156 GFVVJLVYVBAJDA-APHBUQMISA-N 322.474 2.132 10 10 DECE O=C(C[C@H]1CCC2(CCC2)CO1)NCc1ccc(O)c(O)c1 901133411 YBFIWKXQPQPUOC-CYBMUJFWSA-N 305.374 2.453 10 10 DECE CCON(C)C(=O)CNCc1ccc(N2CCCCC2)cc1 846065081 PRZGUXWNOCBUGJ-UHFFFAOYSA-N 305.422 2.176 10 10 DECE C[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1(C)C 846257180 ALBQEWRMVBJPDT-SNVBAGLBSA-N 318.377 2.001 10 10 DECE O=C(NCC[C@H]1CCCN1)NCc1c(O)ccc2c1CCCC2 841976859 IVRHDNNKAHKIIZ-CQSZACIVSA-N 317.433 2.212 10 10 DECE CCOc1ccc(CNCCCNCc2cccnc2)c(O)c1 841041019 ALNFDPKEVTYYLD-UHFFFAOYSA-N 315.417 2.455 10 10 DECE O=C1O[C@H](CNCc2c(O)ccc(Cl)c2F)CN1C1CC1 848578379 WPHMXBZPEFYAJK-SECBINFHSA-N 314.744 2.258 10 10 DECE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1ccc(O)c(O)c1 687754982 HJCYDUNMTSOUQW-HNNXBMFYSA-N 311.334 2.312 10 10 DECE Cc1cc(CC(=O)N2CCN(C)CC2)c(C)n1-c1ccccc1 854117927 QDZNNASPQCBXTH-UHFFFAOYSA-N 311.429 2.411 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1C 924760171 OJUSFDJOQXNREB-IIYDPXPESA-N 322.424 2.300 10 10 DECE CCOc1cccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c1O 858327000 JQOHKVMNASJLLE-DOMZBBRYSA-N 319.361 2.102 10 10 DECE Cc1cn2c(n1)C[C@@H](C(=O)NCc1cc(Cl)ccc1O)CC2 862130532 JMUYQNMHKBZIGX-NSHDSACASA-N 319.792 2.429 10 10 DECE CO[C@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 862024773 GLLWATCBQCHFFB-JSGCOSHPSA-N 300.358 2.372 10 10 DECE CN(C)c1ccc(CN2CCC(NC3CCOCC3)CC2)cc1 1119517071 NKSBANKWBKIMMR-UHFFFAOYSA-N 317.477 2.486 10 10 DECE C[C@@H]1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N1C(=O)OC(C)(C)C 1895391365 HMGJSIGLEGYILF-FDYHWXHSSA-N 324.421 2.040 10 10 DECE COc1cc(C)cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O 894093331 DFHWKQRKFWUVAG-UKRRQHHQSA-N 318.417 2.200 10 10 DECE COC(=O)c1c(CN[C@H]2C[C@H](OC)C2)c2cc(F)ccc2n1C 895413475 FAONWCFBBGZSIY-HAQNSBGRSA-N 320.364 2.371 10 10 DECE CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cc(C)ccc1O 1147957012 MAXMIATVQAKVKY-GZTJUZNOSA-N 324.380 2.494 10 10 DECE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1F 1156169994 BBHZXRRGUAUKTH-UHFFFAOYSA-N 323.255 2.091 10 10 DECE CC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1179032950 RXTGBCVDDUELIQ-MRXNPFEDSA-N 312.369 2.173 10 10 DECE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1cc(F)ccc1O 723884390 WPDOOUSFPXNSEW-SNVBAGLBSA-N 303.399 2.253 10 10 DECE COCC(C)(C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1266774529 CZEVQBMQVLMRTO-UHFFFAOYSA-N 322.449 2.224 10 10 DECE CCCOCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1265531496 LNZVMEWXQAIKRQ-IYBDPMFKSA-N 320.433 2.167 10 10 DECE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(O)cc1O 1299571488 WQLDUSIQEPDTJG-FPYGCLRLSA-N 314.297 2.336 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccnc(-c2ccccc2)n1 1626850995 ZXGYZAPGSWIKBN-UHFFFAOYSA-N 321.336 2.485 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)n(Cc2ccccn2)n1 1566193162 AGJACQLWXQBGFZ-UHFFFAOYSA-N 324.340 2.298 10 10 DECE Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)c(-c2ccccn2)n1 1635927969 OPASYUQOPVFOPD-UHFFFAOYSA-N 324.340 2.075 10 10 DECE 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CCNCc1ccc(N2[C@H]3C[C@@H]2CN(C)C3)c(Br)c1 2131085128 ZEMCEAUTTXFZJD-BETUJISGSA-N 324.266 2.451 10 10 DECE CN(C)c1ccc(CNCCC(=O)Nc2ccc(F)cn2)cc1 1857851559 ZWGUKXLSNLNJFB-UHFFFAOYSA-N 316.380 2.405 10 10 DECE O=S1(=O)CCC[C@@]12CCN(Cc1ccc(Cl)cc1O)C2 1967801766 GCEDUIWSRCVFBR-AWEZNQCLSA-N 315.822 2.199 10 10 DECE C[C@H](N[C@H]1CCS(=O)(=O)[C@H](C)C1)c1ccc(F)cc1O 2143960647 OXGFLQGPQVCDGI-SCVCMEIPSA-N 301.383 2.148 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145052107 YOXNUWYENSIAMC-PUYPPJJSSA-N 315.822 2.017 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2CCO[C@H]21 2007566617 OQVUFWBJXYDGNH-HLUHBDAQSA-N 302.143 2.171 10 10 DECE CN1CCO[C@@H](CSc2ncc(CNC(C)(C)C)s2)C1 2155332089 HQGDERGNSBFDGI-LLVKDONJSA-N 315.508 2.454 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C[C@@]3(CO)C2)cc1Br 2029642861 COCXICGMVPQOPC-RULNRJAQSA-N 311.223 2.287 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(Cl)c1 2170262752 UKFATFCTLUSTBR-MNOVXSKESA-N 316.854 2.071 10 10 DECE Oc1cccc(Br)c1CN1CC[C@H]2NCC[C@H]2C1 706872115 YTFKUTZHKGNNAJ-GXFFZTMASA-N 311.223 2.339 10 10 DECE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cncc(Br)c1 695179924 YXNZPQZJJPRQER-SNVBAGLBSA-N 314.143 2.044 10 10 DECE CN(Cc1nccs1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 387362907 QKEDURZOZICSKM-GFCCVEGCSA-N 308.794 2.385 10 10 DECE C[C@H]1C[S@@](=O)CCN1c1ccc(C=CC(=O)O)c(Cl)c1 2171962947 IBJGYXXWAMPLSS-FVINQWEUSA-N 313.806 2.395 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(F)(F)F 2179605389 ZQTLEKQVOVDOJF-DJLDLDEBSA-N 312.317 2.289 10 10 DECE COc1ccc(N2C[C@H]3C[C@H]2[C@H]3N)c(OC)c1Br 2044342804 QYLYLNRVZBVJRG-FDOIEUKUSA-N 313.195 2.002 10 10 DECE CNCc1ccc(N2CC[C@@H]3[C@H](O)C[C@H]32)cc1Br 2057964462 ANPQAIWQWLJGGH-IACUBPJLSA-N 311.223 2.128 10 10 DECE CC[C@@]12C[C@@H]1C(=O)N(c1ccc(N)c(Br)c1)C2=O 2069042301 DBPOKWMQSFUADQ-AMIZOPFISA-N 309.163 2.321 10 10 DECE CC[C@H](C)N1C(=O)C(=CNc2ccccc2F)C(=O)NC1=S 2296169380 KRWACLATOVIIHW-VIFPVBQESA-N 321.377 2.163 10 10 DECE C[C@H](Oc1ccccc1C=C1SC(=S)NC1=O)C(=O)O 2294872090 SSMXOPYMKLFLNN-ZETCQYMHSA-N 309.368 2.027 10 10 DECE Cc1c(C=CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cnn1C 2304258414 OERFTGGCGQKNEV-GFCCVEGCSA-N 324.384 2.363 10 10 DECE COC(=O)CCN(C(=O)C=Cc1cncnc1)c1ccccc1 2324651649 SCCIXDTVZFWWFL-UHFFFAOYSA-N 311.341 2.086 10 10 DECE O=C(O)C[C@@H]1C[C@H]1CNCc1c(O)cccc1Br 2314297004 CTKHXNVKLSDXQO-IUCAKERBSA-N 314.179 2.355 10 10 DECE CCCn1[nH]c(Br)nc1=NCCc1ccc(N)cc1 2353603290 VQRMJEIEVOHIHS-UHFFFAOYSA-N 324.226 2.109 10 10 DECE COc1ccc(N2CCN(C(=O)NC[C@H](C)SC)CC2)cc1 178649067 KNVUAFKANYPEEE-ZDUSSCGKSA-N 323.462 2.278 10 10 DECE O[C@@H]1CCN(c2ccc(CNC3CC3)cc2Br)C1 236542872 OOXFPMGSQANZSS-GFCCVEGCSA-N 311.223 2.272 10 10 DECE COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1O 183563940 DJKIUEFWEMZJOL-YPMHNXCESA-N 302.378 2.316 10 10 DECE O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(O)c(O)c1 381093223 XHQNGCLPHMWRAF-HNNXBMFYSA-N 312.369 2.102 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1CN2CCC1CC2 236616593 VJAWETQXOOJLMY-CYBMUJFWSA-N 311.223 2.339 10 10 DECE CCCN(CCO)c1ccc(CNC)cc1Br 233042810 RDBRGBGGDBSJAB-UHFFFAOYSA-N 301.228 2.377 10 10 DECE CCC[C@H](NCc1cc(Br)ccc1O)C(=O)O 233356517 QKUVVSISUDRIED-JTQLQIEISA-N 302.168 2.498 10 10 DECE CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(F)ccc1O 373587830 YXNZEMIHGXWIKN-KBPBESRZSA-N 311.353 2.074 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1 284353843 NLBXPBOSMPGYHF-OZVIIMIRSA-N 311.422 2.209 10 10 DECE CN(Cc1ccccc1)S(=O)(=O)N(C)c1ccc(N)cc1 702097709 ZCSZOYMBELFJBX-UHFFFAOYSA-N 305.403 2.082 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](C)Oc1cccc2ccccc12 808542829 JBLYHSBIHDVQON-GFCCVEGCSA-N 300.310 2.308 10 10 DECE CCCC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O 807840295 XNDRXUPSWUNWTE-UHFFFAOYSA-N 319.188 2.232 10 10 DECE Oc1cc(O)c([C@@H](CCC(F)(F)F)N2CCNCC2)c(O)c1 575289094 WTSCJXFYIRILJF-SNVBAGLBSA-N 320.311 2.092 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(O)c(O)c1 721907936 YOEUEJKTEVXSIM-WCQYABFASA-N 322.405 2.443 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(O)nc1 824234930 XRGURICHLNXPFB-UHFFFAOYSA-N 313.401 2.444 10 10 DECE CC[C@@H]1Oc2ccc(N)cc2N(OCc2ccc(N)cc2)C1=O 821298805 ZSZRMFIUIDVWNE-HNNXBMFYSA-N 313.357 2.487 10 10 DECE Fc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1N1CCOCC1 827596118 UUTOCURNXROKDX-HZPDHXFCSA-N 320.408 2.131 10 10 DECE Oc1cc(Br)ccc1CNCc1nc(C2CC2)n[nH]1 826036246 CCNOIBSTWACSMQ-UHFFFAOYSA-N 323.194 2.440 10 10 DECE C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 840978647 UJUMVBBXLUUCGZ-CRAIPNDOSA-N 304.434 2.259 10 10 DECE COCCN1CC[C@H](N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 840892819 DQOVXZYYDQISSA-AEFFLSMTSA-N 319.493 2.302 10 10 DECE CCOc1cccc(CN(C[C@H]2CCC(=O)N2)C(C)C)c1O 840978063 ZRYLSRHXNAHGMO-CQSZACIVSA-N 306.406 2.280 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)c1 843489481 PTBCUFLTQLZOGA-APYUEPQZSA-N 318.417 2.499 10 10 DECE CC(=O)C(=O)COC(=O)Cc1cccc(OCC=C(C)C)c1 842112592 VQYUNCCGRYKOQQ-UHFFFAOYSA-N 304.342 2.275 10 10 DECE CC[C@@H](NCCN1CCC(N)CC1)c1ccc(N(C)C)cc1 925809935 KZRXGPRVSZHGSX-GOSISDBHSA-N 304.482 2.216 10 10 DECE C[C@@H]1COC[C@H](C)[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 926855424 UFMSURGQYCAUDP-MNZLEMJZSA-N 317.477 2.199 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2C[C@@H](O)C23CCC3)c1O 850388062 GMPGTHSLBZVFNY-VXGBXAGGSA-N 312.753 2.347 10 10 DECE Cc1nnc2cc(NCc3ccc(N(C)C)c(F)c3)ncn12 754673824 BCPQRVMMGVAASE-UHFFFAOYSA-N 300.341 2.250 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2n[nH]cc2C1 862026981 FZNUGODBIFXKAK-LBPRGKRZSA-N 322.368 2.085 10 10 DECE COc1cc(Cl)cc(CN2C[C@]3(C)CNC[C@]3(C)C2)c1O 863650894 DQCVJZWOGSSUTB-IYBDPMFKSA-N 310.825 2.486 10 10 DECE C[C@@H](NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1ccccc1O 1876119836 FOGXDEQDGRYHHO-PXAZEXFGSA-N 324.421 2.319 10 10 DECE O=C(NCC[C@@H]1CCOC1)NCc1ccc(N2CC=CC2)cc1 784336109 PVZHNDDDQPFGSD-MRXNPFEDSA-N 315.417 2.289 10 10 DECE CC(C)n1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1 794221542 KTYPSMKUBITSMX-UHFFFAOYSA-N 313.405 2.389 10 10 DECE CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C(=O)OCC 1139409447 RJMGMIAPMJXEAI-CRALRDPISA-N 321.373 2.301 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(N)ccc2O)C1 1959520597 LSAGDSJCHYHVTB-CYBMUJFWSA-N 307.394 2.073 10 10 DECE CN(CCc1cccs1)S(=O)(=O)Cc1ccc(N)cc1 93267158 SJVSWDCBALACCB-UHFFFAOYSA-N 310.444 2.335 10 10 DECE Cn1cc(/C=C/C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cn1 1525905103 CAXQXWBOPAIAPZ-IJDCCNJMSA-N 322.412 2.445 10 10 DECE CN(Cc1ccccc1O)C(=O)C[C@H]1NC(=O)c2ccccc21 1545501451 XGKBBTBIGGVAJJ-OAHLLOKOSA-N 310.353 2.225 10 10 DECE CN(Cc1cc[nH]n1)C(=O)c1cc2cc(O)c(O)cc2s1 1617225868 IOICSBIRYZPOGM-UHFFFAOYSA-N 303.343 2.308 10 10 DECE CC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1638857968 AQZDNMOSBPJUFB-UHFFFAOYSA-N 302.305 2.420 10 10 DECE Cc1cc(=O)n(C)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1630480135 KTAXAZMKDMOXGK-UHFFFAOYSA-N 313.317 2.108 10 10 DECE COc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 1639441259 OGGVDFFAJARHSF-UHFFFAOYSA-N 301.342 2.355 10 10 DECE CC(C)n1ncc(C(=O)NCc2c(O)cccc2O)c1Cl 1635847145 IOXIFBFDNNURMM-UHFFFAOYSA-N 309.753 2.459 10 10 DECE COc1ccc(C(=O)NCc2cc(O)ccc2O)nc1Cl 1643881673 AQVKACZBGLZYGF-UHFFFAOYSA-N 308.721 2.085 10 10 DECE COC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 1644590480 BRUIZLKKWJTUAX-UHFFFAOYSA-N 320.732 2.157 10 10 DECE Cc1ccc(O)c(CNC(=O)c2ncc(Br)cn2)c1 1584983677 QEYICCCIJQUDGO-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CC(=O)c1sc(NC(=O)c2cc(O)c(O)c(O)c2)nc1C 1865876664 ZERCSJSLPHWEMW-UHFFFAOYSA-N 308.315 2.023 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3CSC4)c(Cl)cc21 1914581222 FWBQPLQCKLYUCD-UPFKWVMWSA-N 309.822 2.376 10 10 DECE CO[C@H]1CN(c2ccc(CN)cc2Br)C[C@H]1F 1942642566 XXGIGDZNDYFNRM-PWSUYJOCSA-N 303.175 2.081 10 10 DECE CCOC(=O)CC[C@H](N)c1c(O)cccc1Br 1951778713 IQHJCVZDWXDQQQ-VIFPVBQESA-N 302.168 2.498 10 10 DECE CC(C)(C)OC(=O)N[C@]1(c2cc(F)ccc2O)C[C@H]1C(=O)O 1952768715 PYMRVLRPZAOYGN-BONVTDFDSA-N 311.309 2.356 10 10 DECE OCc1ccc(N2CC3(CC=CCO3)C2)cc1Br 2033926150 IKJFPKJHWSEROT-UHFFFAOYSA-N 310.191 2.477 10 10 DECE CNCc1ccc(N2C[C@H](C)[C@@H](CO)C2)cc1Br 708160190 CPHVRDNDOGNDCG-CMPLNLGQSA-N 313.239 2.233 10 10 DECE NCc1ccc(N2CCS[C@@H](CO)C2)c(C(F)(F)F)c1 720005711 XYDMGAJSXHBFDF-SNVBAGLBSA-N 306.353 2.078 10 10 DECE CCN(C(=O)c1cc(Br)n(C)n1)c1ccc(N)cc1 2094084461 OCFMICJYUBNQEM-UHFFFAOYSA-N 323.194 2.432 10 10 DECE C[C@H](O)c1ccc(N2CCC23CN(C)C3)c(Br)c1 2222678985 FQIXTFLXXTWDCW-JTQLQIEISA-N 311.223 2.397 10 10 DECE CC(C)C[C@H](NCc1c(O)cccc1Br)C(N)=O 2253495730 KLJUYSUJSNHNRH-NSHDSACASA-N 315.211 2.144 10 10 DECE CC(C)C[C@H](NCc1cc(Br)ccc1O)C(N)=O 2253502497 WOKFYEFXKOXYJW-NSHDSACASA-N 315.211 2.144 10 10 DECE CSc1ncc(CNC(=O)c2cc[nH]c(=N)c2Cl)s1 2269313688 KXYRHFTUACQKCY-UHFFFAOYSA-N 314.823 2.256 10 10 DECE CC[C@H](C)Oc1ccccc1C=C1C(=O)NC(=S)N(C)C1=O 2293465026 DDHFHVIVKRGHJV-JTQLQIEISA-N 318.398 2.120 10 10 DECE CSc1ncc(CNC(=O)c2ccc(CON)cc2)s1 2284495575 AEFLUKBNHOATQL-UHFFFAOYSA-N 309.416 2.185 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC3(CCCC3)CN2)s1 2284503354 BICCSVLBIBNHDB-LLVKDONJSA-N 311.476 2.404 10 10 DECE COC(=O)C=Cc1ccc(N2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 2297450972 PDDFIEOWQNLTOB-LBPRGKRZSA-N 320.345 2.396 10 10 DECE Cc1ccc([C@@H](O)CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2307989987 RXSASKJFPBJMPT-KRWDZBQOSA-N 313.353 2.269 10 10 DECE CC(C)CN1CC[C@H](CNC(=O)C=Cc2ccc(O)c(O)c2)C1 2308002177 BWFBRBAQVFSKHF-OAHLLOKOSA-N 318.417 2.205 10 10 DECE Cc1nccn1C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 176071879 XLHVRSNDLHCLBS-CQSZACIVSA-N 315.373 2.290 10 10 DECE C[C@H](N)c1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1Cl 251491091 CPQPOYKMMQFQCU-ZIBATOQPSA-N 307.825 2.465 10 10 DECE NCc1ccc(N2CCO[C@@H](CCF)C2)cc1Br 700584300 HADDGHYBCZYQJV-LBPRGKRZSA-N 317.202 2.473 10 10 DECE Cc1cc(Br)c(O)c(CN2CC[C@](F)(CO)C2)c1 802660202 DVTJBQKMYKTOQL-CYBMUJFWSA-N 318.186 2.369 10 10 DECE CN1CCCC[C@H]1CCC(=O)OCC(=O)c1ccc(O)c(O)c1 803856438 QHHHWGSUAPCZGZ-ZDUSSCGKSA-N 321.373 2.088 10 10 DECE C[C@@H]1O[C@H](C)C[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 296584286 XBKASJBYXVCABF-WWGRRREGSA-N 308.397 2.318 10 10 DECE C[S@@](=O)CC1CN(c2ccc(CO)cc2C(F)(F)F)C1 2166653335 RFYSLNCBCJUCAK-HXUWFJFHSA-N 307.337 2.012 10 10 DECE CSc1nc(C(C)(C)C)nc(C)c1C(=O)OCC(=O)C(C)=O 808526267 OXMQXSGVDCZOHF-UHFFFAOYSA-N 324.402 2.119 10 10 DECE C[C@@H]1O[C@H](C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 296584281 XBKASJBYXVCABF-DVOMOZLQSA-N 308.397 2.318 10 10 DECE CN1CCCc2cc([C@]3(O)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2167054648 BULPZCISTXAHRP-LZLYRXPVSA-N 315.413 2.430 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)N3CC(C)(F)C3)C2)cc1 824685103 AFRXVCDVAHBJAF-CYBMUJFWSA-N 321.396 2.275 10 10 DECE c1csc(SCCCN[C@H]2CCO[C@]23CCOC3)n1 903097254 FCCPRJRPVLZMGW-AAEUAGOBSA-N 300.449 2.163 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@@H](C2CC2)N1 846676882 KCWSOJCUFUQYPG-IRXDYDNUSA-N 314.429 2.418 10 10 DECE CN(C)c1ccc(CNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1F 844933426 FWFOQQXNMVLFAW-QWRGUYRKSA-N 313.323 2.298 10 10 DECE CC[C@](C)(CO)C(=O)NCc1cc(Br)ccc1O 848068590 NGDHZCILRHCVFG-CYBMUJFWSA-N 316.195 2.180 10 10 DECE COc1cc(C)cc(CN(C)Cc2nc([C@H](C)OC)no2)c1O 754736868 OMFKBBOMYXOHAQ-NSHDSACASA-N 321.377 2.432 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccnn1CC1CCC1 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10 DECE CC[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1O 399943615 OXUDVNMUBDDVLG-LDYMZIIASA-N 317.202 2.254 10 10 DECE CS(=O)(=O)c1cnn(Cc2cc(C(F)(F)F)ccc2O)c1 2070207780 XDIXMMLQJYELND-UHFFFAOYSA-N 320.292 2.059 10 10 DECE CN1CCc2cc([C@@H](N)c3ncncc3Br)ccc21 2106855422 OBTAKXDEDJBOOH-CYBMUJFWSA-N 319.206 2.280 10 10 DECE CC[C@@H](C)[C@H](Nc1c(N)cccc1Br)C(N)=O 2253263360 FDVXFWAPZQSHEG-XCBNKYQSSA-N 300.200 2.343 10 10 DECE CNCc1ccc(N2CC[C@]3(O)C[C@@H]3C2)c(Br)c1 2254118875 CBDXDPRXRMWCGL-RISCZKNCSA-N 311.223 2.130 10 10 DECE CSc1ncc(CNC(=O)[C@]23CCCN[C@H]2CCC3)s1 2284640987 OZKHXSLHAOJADA-SMDDNHRTSA-N 311.476 2.404 10 10 DECE COc1cccc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)c1 2295157346 BMXPJZMXJXORAZ-UHFFFAOYSA-N 312.300 2.296 10 10 DECE CC1=NN2C(=N)C(=Cc3ccc4c(c3)OCO4)C(=O)N=C2S1 2297549012 QRDRDLINHOCRSH-UHFFFAOYSA-N 314.326 2.054 10 10 DECE CC(C)CO[C@@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308002380 YVEASVBBHNKFMN-CQSZACIVSA-N 305.374 2.385 10 10 DECE Cc1ccc(CN2CC(F)(C(=O)O)C2)c(O)c1Br 2327798154 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DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccccc1OC(F)(F)F 90257862 RLMAKMWQKOBCCN-VIFPVBQESA-N 303.244 2.012 10 10 DECE C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 277316834 BYDLBQMSAZAZMU-CJNGLKHVSA-N 317.433 2.293 10 10 DECE CCOCCC(=O)NCc1cc(Br)ccc1O 804733661 XCJRWTJWGRFRII-UHFFFAOYSA-N 302.168 2.198 10 10 DECE C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)N1CCCC1 294713670 OYVMKNNWFWNAKX-VIFPVBQESA-N 300.761 2.285 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)CC(C)(C)C 291636507 IHSWBWAMZSXPSA-DGCLKSJQSA-N 309.406 2.332 10 10 DECE COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)ccc1O 827489902 XUMAEXWBGHIXPW-OAHLLOKOSA-N 313.781 2.200 10 10 DECE O=[N+]([O-])c1cc([C@H](C2CCC2)N2CCOCC2)cc(O)c1O 575278912 ZNPXDLNMFQIAJT-AWEZNQCLSA-N 308.334 2.179 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@H]3CC[C@@]32CN)c1O 903796073 RYRJEPUCPZDXBO-SUMWQHHRSA-N 306.381 2.437 10 10 DECE CN(C)c1ccc(/C=C\CNC[C@@H]2CCCN2CCCO)cc1 835055813 ZMJMRGDWKJYXTA-ORUDLHBZSA-N 317.477 2.202 10 10 DECE CC(C)C[C@@H](CCO)CNC(=O)/C=C\c1ccc(O)c(O)c1 588407473 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312.417 2.351 10 10 DECE Cc1ccc2c(c1)/C(=C\c1cn(C[C@@H]3CCOC3)nn1)C(=O)N2C 865225105 XWURZYDLCMNUMV-MJOIQJIUSA-N 324.384 2.140 10 10 DECE O=C([C@@H]1CCCN1c1nccs1)N1Cc2cccc(O)c2C1 871203346 YCKHKPBEBWAOIO-ZDUSSCGKSA-N 315.398 2.360 10 10 DECE CCC(=O)N1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871200866 LANSBQUBARMESJ-AWEZNQCLSA-N 302.374 2.026 10 10 DECE CO[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C 784668605 RRGCFDNTWREPOW-QFBILLFUSA-N 317.477 2.295 10 10 DECE COc1cc(C)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O 895390253 VJOSIFZYNVOLGH-GOSISDBHSA-N 317.385 2.412 10 10 DECE CC(C)C[C@H](N[C@@H](C)c1ccccc1O)C(=O)NCCN(C)C 783527951 KAFAMNFAHHXCLV-HOCLYGCPSA-N 321.465 2.135 10 10 DECE COC(=O)c1cnc(CN(C)c2ccc3c(c2)OCO3)s1 894429301 DWBHSYVOEJJULK-UHFFFAOYSA-N 306.343 2.295 10 10 DECE COc1ccc(OC)c(C(=O)NCc2c(O)cccc2O)c1 1156881109 PJYBYXOJXBSTNB-UHFFFAOYSA-N 303.314 2.045 10 10 DECE C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1161494244 LOWXGZFVTKIMIK-NSHDSACASA-N 315.377 2.158 10 10 DECE CO[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCSC1 1178394677 OXZMZULAFMCMBO-AWEZNQCLSA-N 322.390 2.101 10 10 DECE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)N1 715765983 LMNJUMJSLGAYSY-DTORHVGOSA-N 317.202 2.476 10 10 DECE COCCC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C 1283950561 QJIRJRNWGYWNJL-GOEBONIOSA-N 320.433 2.119 10 10 DECE CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1noc(C)n1 1473368638 SWANTCHFSFVPIL-MRXNPFEDSA-N 316.405 2.456 10 10 DECE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H]2CCCO2)cc1C 1482253236 KMSMTFGPBGUHLW-WMLDXEAASA-N 320.433 2.119 10 10 DECE COc1ccc(CC(=O)NCc2cccc(O)c2O)c(C)c1 1558161234 JMBANHSQFDFTCS-UHFFFAOYSA-N 301.342 2.274 10 10 DECE CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cnn(C)c1 1557252741 URHCCIJRMFNNJE-CMDGGOBGSA-N 307.357 2.430 10 10 DECE O=C(NCCn1cnc2ccccc21)c1c(F)ccc(O)c1O 1558923058 HCFWEIRZWRJTLK-UHFFFAOYSA-N 315.304 2.017 10 10 DECE COc1cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c(O)cc1C 160496938 OSNVODYXSFJEPB-HLLBOEOZSA-N 321.417 2.478 10 10 DECE Oc1ccc(Br)cc1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2O 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C[C@H](N)c1cc(F)c(N2CCSC[C@H]2CCO)c(F)c1 2194703257 GFENLKIPPVWEIF-GXSJLCMTSA-N 302.390 2.289 10 10 DECE NC[C@H]1C[C@@]2(CCN2Cc2ccc(Br)cc2O)C1 2061788789 UIKLMJUTQGJRKV-YPFXGUDJSA-N 311.223 2.468 10 10 DECE COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CN 2210611695 SXJKFRUEOGPRFZ-UHFFFAOYSA-N 321.421 2.211 10 10 DECE CSc1ncc(CNCc2sc(CN)nc2C)s1 2257128078 PJDDWYAOPLDJDO-UHFFFAOYSA-N 300.478 2.378 10 10 DECE CSc1ncc(CNC(=O)[C@@H](C(N)=S)C2CCC2)s1 2269282361 VWZUZEQQSIIUMH-SECBINFHSA-N 315.489 2.184 10 10 DECE O=C(C[S@@](=O)CCC1CC(F)C1)c1ccc(O)c(O)c1 2285734727 RICPTAYYFAEQNH-GLYJEJJFSA-N 300.351 2.167 10 10 DECE O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1CCO 2297506130 OIGSNLKBBGOLTR-UHFFFAOYSA-N 301.339 2.158 10 10 DECE Cc1ccc(CN(C)[C@H](C)C(=N)N)c(O)c1Br 2307452407 LQQNFQLNKOIVJJ-MRVPVSSYSA-N 300.200 2.219 10 10 DECE Cc1ccc(CNC(=O)c2cncnc2)c(O)c1Br 2352625072 HRQZNJOSJLCLAY-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CSCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 68535849 VRFMERDWICSIIN-UHFFFAOYSA-N 308.447 2.235 10 10 DECE 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DECE COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(O)c(O)c1 860243314 JWLJCQARPQPJPW-OAHLLOKOSA-N 313.353 2.453 10 10 DECE CCCn1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 865622024 IZZAXQZOZMRYQU-AWEZNQCLSA-N 315.421 2.065 10 10 DECE COCCn1c(C)c(C)c2cc(C(=O)Nn3cccn3)ccc21 862767149 VHEJZCCROIVUSR-UHFFFAOYSA-N 312.373 2.485 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCc2n[nH]cc21 862027186 LLJCSEXIPYTAJS-ZDUSSCGKSA-N 322.368 2.400 10 10 DECE Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(O)cs2)C1 762819013 NIUBSNZVPSHYBJ-LBPRGKRZSA-N 322.386 2.490 10 10 DECE COc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccn1 868023459 DQAJHNOMCTUGKA-NSHDSACASA-N 301.346 2.356 10 10 DECE CCO[C@@H](c1nc(Cc2ccc(N)cc2)no1)[C@H]1CCOC1 872172021 ZNRPBSLUXCRQMX-SWLSCSKDSA-N 303.362 2.357 10 10 DECE COc1cccc(CNC(=O)c2cc(F)cc(F)c2O)c1O 1137473372 HOIDYWLEAVIQBK-UHFFFAOYSA-N 309.268 2.315 10 10 DECE C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O 797069011 BFTLTXRKOMIYIH-IUCAKERBSA-N 319.373 2.287 10 10 DECE C[C@H](NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1896867568 XSJFMDIEPOUYGI-CYZMBNFOSA-N 320.389 2.483 10 10 DECE CNCc1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1Cl 713967704 WGTBFLCGVGPZPV-UHFFFAOYSA-N 318.870 2.319 10 10 DECE Cc1cc(O)c(CNCC[C@H]2CCCS2(=O)=O)cc1Cl 1338287275 DDYXEMXBDMWENT-GFCCVEGCSA-N 317.838 2.411 10 10 DECE C[C@H](NCCOCCCO)c1ccc(Br)cc1O 1340989126 BEIUSRKCHGBITG-JTQLQIEISA-N 318.211 2.204 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1cnn(C)c1 1447566501 YMJDLONUSCHRNY-NEPJUHHUSA-N 317.389 2.072 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)/C=C\[C@H]2COC(C)(C)O2)c1 1294938365 ZFVAUXIOXZYSPV-RXVTVFCNSA-N 321.373 2.286 10 10 DECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(=O)N(C)C 1464349411 WLYXLJLJDYZJQH-VAWYXSNFSA-N 317.433 2.134 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)SC)cc1C 1491397504 BAYTXLPVPASCQC-QWHCGFSZSA-N 310.463 2.349 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cnc([C@@H]2CCCO2)s1 1633599054 MXRLAXLQFDLNNN-LBPRGKRZSA-N 320.370 2.336 10 10 DECE O=C(NCc1cnccn1)c1cc2cc(O)c(O)cc2s1 1648005657 SORFBNHNYZSWQS-UHFFFAOYSA-N 301.327 2.033 10 10 DECE C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1570273585 JORKYXXXPWYZDK-CMPLNLGQSA-N 304.350 2.082 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](OC)C2CC2)cc1C 1662207995 UEEMMKHOOFAHKS-GUYCJALGSA-N 320.433 2.023 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCCC[C@@H]1O 1598238570 AETMLULKQOFJCQ-AJKRIUKHSA-N 305.374 2.168 10 10 DECE CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 16904659 RSAJCEPMHVDSTL-PAKSIRSJSA-N 323.395 2.457 10 10 DECE CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)CCN1CCOC 164342990 NNOYIWDUBLVVTA-MRXNPFEDSA-N 322.449 2.252 10 10 DECE C[C@@H](c1cc(Br)ccc1O)N(C)[C@@H]1CCNC1=O 1916801255 UJNGTJFOOFBQED-GZMMTYOYSA-N 313.195 2.036 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@H]1[C@H]2COCC[C@H]21 1967844412 JAXXCTWUSGVZAF-JFGNBEQYSA-N 316.170 2.418 10 10 DECE CC1(C)CN(Cc2cc(Br)ccc2O)[C@H]1C(=O)O 1968203727 HBWPUBABXHMGLA-NSHDSACASA-N 314.179 2.450 10 10 DECE CC(C)(C)OC(=O)NCC=C[C@H](N)Cc1ccc(O)c(O)c1 1952607319 IBTMTOKABYKPOM-LBPRGKRZSA-N 308.378 2.049 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](Nc2ccccc2N)C1 1981509887 SVDAFBHSLRBSSV-SWLSCSKDSA-N 321.421 2.299 10 10 DECE Nc1ccc(CCNS(=O)(=O)c2ccccc2Cl)cc1 32216461 ATYVQAATTIOREO-UHFFFAOYSA-N 310.806 2.443 10 10 DECE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)NCCN=[N+]=[N-])[C@@H]21 1985093797 FSOGKEFCPGDQKY-GRYCIOLGSA-N 323.397 2.449 10 10 DECE CC(C)[C@H](O)CN(C)c1ccc(CO)c(Br)c1 2002408631 QZRXKBHTCFAMSC-CYBMUJFWSA-N 302.212 2.395 10 10 DECE CNCc1ccc(N2C[C@H]3CO[C@@H](C3)C2)cc1Br 2034860405 UPCPQXYJYHWNEZ-GWCFXTLKSA-N 311.223 2.394 10 10 DECE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1Br 2037418634 KVRFDYSTGBAOEO-PJXYFTJBSA-N 312.207 2.434 10 10 DECE O=C1Nc2cc(N3CC[C@@H](C(F)F)C3)c(Cl)cc2[C@@H]1O 706395698 GWIJHNMIASFRKB-KBUNVGBDSA-N 302.708 2.417 10 10 DECE Cc1nn(C)c(NC(=O)Cc2ccc(N)cc2)c1Br 381929032 QROCFNITEFNUIG-UHFFFAOYSA-N 323.194 2.254 10 10 DECE CN1C[C@H](Nc2c(N)cccc2Br)CCCC1=O 2068227607 RZTDIDZPRSZSDX-SECBINFHSA-N 312.211 2.454 10 10 DECE CN(C)C[C@H]1COC[C@@H]1Nc1c(N)cccc1Br 2085482986 FKSIKUNHQCIKLN-CABZTGNLSA-N 314.227 2.020 10 10 DECE CCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)cc1Cl 2114069255 DERTVEYVKVGKQP-JTQLQIEISA-N 305.827 2.264 10 10 DECE C[C@@]1(CO)C=CCCN1c1ccc(CN)cc1Br 2253534422 ZZJNWNFAXXYODW-AWEZNQCLSA-N 311.223 2.425 10 10 DECE CCOC(CC(=O)NCc1cnc(SC)s1)OCC 2269277070 BHYHECMGQPBAPZ-UHFFFAOYSA-N 304.437 2.270 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(CO)c(F)c1 2308002329 USHBXDIZQDRJAB-UHFFFAOYSA-N 317.316 2.059 10 10 DECE CC(C)OCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2308604230 NRDFUFUUJTVLNF-UHFFFAOYSA-N 318.417 2.078 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3CO)c(Br)c1 2308523742 ZLDSEHAKKXMAHS-LOWVWBTDSA-N 311.223 2.257 10 10 DECE COC(=O)[C@H](C)CNCc1ccc(C)c(Br)c1O 2327801604 SYFYJJZNHWJQBQ-SECBINFHSA-N 316.195 2.362 10 10 DECE OC1[C@H]2CCC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 179747223 IDEPZAUOWUPMLN-IRXDYDNUSA-N 316.445 2.116 10 10 DECE C[C@@H](C(F)(F)F)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184130533 XLPAGTKVFSKIGJ-JTQLQIEISA-N 324.368 2.465 10 10 DECE C[C@@H]1CCC[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 70490588 WOCAZJJMJGNKSM-TZMCWYRMSA-N 312.435 2.146 10 10 DECE COC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 265847173 URMRWCWWTZYFBW-DIECRNLCSA-N 320.345 2.254 10 10 DECE COc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(O)c1 367931765 YHQIPJCSVVKMAF-QGZVFWFLSA-N 324.396 2.230 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2c2ncon2)c1O 365793111 DSZXMVVHYSGCLK-LLVKDONJSA-N 320.305 2.029 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(Cl)cc1Br 808526755 WCNHRNVFRLXMFT-UHFFFAOYSA-N 319.538 2.417 10 10 DECE CC1(C)NCC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2166372259 NUUGQGHYBRCMPA-SECBINFHSA-N 318.826 2.175 10 10 DECE CCN(CC)c1ccc(CN(C[C@H](O)CO)C(C)C)cc1F 817417947 VKSSZBZCMGYIOB-HNNXBMFYSA-N 312.429 2.236 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NOCC3CCC3)C2)cc1 824117939 QRKDMKISKGWXPZ-AWEZNQCLSA-N 319.405 2.305 10 10 DECE Cc1cc(O)c(CN2CCC(N3CC[C@H](O)C3)CC2)cc1C 827699051 DJVJYNHSSQLDNS-KRWDZBQOSA-N 304.434 2.040 10 10 DECE CC[C@@H](O)[C@H](C)C(=O)NCc1cc(Br)ccc1O 908169960 FVUSQHNITSDCPY-GZMMTYOYSA-N 316.195 2.178 10 10 DECE Cc1nc2n(n1)C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)CC2 835035324 AQBVOBUUQVEQHJ-APHBUQMISA-N 311.433 2.270 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCc2nc[nH]c2C1 845204924 NSXPDFQTCMRQRR-NSHDSACASA-N 320.780 2.125 10 10 DECE O=C(C[C@@H]1OCc2ccccc21)NCCc1ccc(O)c(O)c1 847589834 NOHSNCQYJZEDMM-KRWDZBQOSA-N 313.353 2.418 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1c1ncon1 840936827 MTAUJGHODDVXTO-HNNXBMFYSA-N 302.378 2.018 10 10 DECE N[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1F 853247892 FIZDRXJDMLMMTL-GHMZBOCLSA-N 303.175 2.026 10 10 DECE COc1ccc(N2CCN(Cc3coc(C)n3)CC2)cc1F 851808331 MDFSPDCKABKCTQ-UHFFFAOYSA-N 305.353 2.453 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 934943199 GIBYVIVAEKVCLI-NWDGAFQWSA-N 321.373 2.082 10 10 DECE CN(Cc1cnccn1)c1ccc(CO)c(Br)c1 699543489 ZFRQHDHZAONDKZ-UHFFFAOYSA-N 308.179 2.368 10 10 DECE CCO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 867505545 XJQKIQGERKXIBI-QRTARXTBSA-N 320.433 2.371 10 10 DECE COC(=O)c1coc([C@H](C)N2CCCc3cc(CN)ccc32)n1 866659830 VPMPXTIDIQYJPG-NSHDSACASA-N 315.373 2.434 10 10 DECE COc1cccc(COCC(=O)N2Cc3cccc(O)c3C2)c1 871200932 NLMYHQYPUPQEBH-UHFFFAOYSA-N 313.353 2.460 10 10 DECE C[C@@H]1C[C@]2(CC[C@H](CNCc3ccc(F)c(F)c3O)O2)CO1 895817654 KOWDEWHXNWLDFO-NSODJVPESA-N 313.344 2.487 10 10 DECE CN(C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 895795449 WWQDBZRDZLWYSR-LLVKDONJSA-N 320.414 2.383 10 10 DECE Cc1cccc2ncc(C(=O)NCCc3ccc(O)c(O)c3)n12 1150488383 QUVSMBDJXAUMNP-UHFFFAOYSA-N 311.341 2.026 10 10 DECE Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1c(O)cccc1O 1178911751 PGYCXTAGVRKQAC-SECBINFHSA-N 303.362 2.248 10 10 DECE COC(=O)c1ccc(/C=C/C(=O)NCc2c(O)cccc2F)o1 1178413465 SGBPPMZOOIFSOW-SOFGYWHQSA-N 319.288 2.241 10 10 DECE O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1O 1176958197 KRHVXBLXTVRYKQ-GFCCVEGCSA-N 321.760 2.085 10 10 DECE C[C@H](NCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1918693827 JJFAESQDBCBMMA-LBPRGKRZSA-N 322.405 2.025 10 10 DECE CCN(CC)CC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 1348329715 RLRHCJFLKNMKRG-FNOHHLHBSA-N 306.406 2.348 10 10 DECE Cc1nn(C)c2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc12 1450022496 MXZSUEFNLNZVHY-UHFFFAOYSA-N 311.341 2.474 10 10 DECE Cc1ccc(CC(=O)NCc2c(O)cccc2O)c(Cl)n1 1456319080 NXBWGALMWYCGSR-UHFFFAOYSA-N 306.749 2.314 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cccc2nc(CO)[nH]c12 1545501283 PSTSBWXESMBTBU-UHFFFAOYSA-N 311.341 2.033 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)cc1 1628708985 RKEDXVQDTPCFEV-UHFFFAOYSA-N 321.384 2.468 10 10 DECE COC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 1629223695 RNCWLZPHTUIJBG-UHFFFAOYSA-N 321.373 2.023 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2n[nH]cc2F)cc1F 1628770139 YANNCEZAJVNHPZ-UHFFFAOYSA-N 308.332 2.464 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1cn2cccnc2n1 1558756888 GMYFKLWVQFKGOV-UHFFFAOYSA-N 302.721 2.018 10 10 DECE CCCN(CC(C)(C)O)C(=O)c1ccc(N=NC(N)=O)cc1 1635285659 GVKRUZSSYQBDAE-UHFFFAOYSA-N 306.366 2.472 10 10 DECE C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1566669647 KEFPBCOFYNTXMH-GXFFZTMASA-N 304.350 2.225 10 10 DECE Cc1cc(C)c(O)c(CN2CCO[C@@H](Cn3cccn3)C2)c1 164385078 LMZYISKDJVGYKL-MRXNPFEDSA-N 301.390 2.107 10 10 DECE COc1ccccc1Cc1nnc(=Nc2ccccc2O)[nH]c1O 1859426062 IJCMVHWHFLOPIY-UHFFFAOYSA-N 324.340 2.048 10 10 DECE C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O 227609467 MXIXRSQPDWHRNY-SNVBAGLBSA-N 308.378 2.368 10 10 DECE Cc1cccc(CN[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O 1937553857 CKZKDLDCUDTIOY-UONOGXRCSA-N 322.405 2.082 10 10 DECE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 1946807110 WAVRVHOSQGBKQV-GOSISDBHSA-N 324.428 2.207 10 10 DECE CCOC(=O)C[C@@](C)(N)c1ccc(Br)cc1O 1951860184 IYXXQUGICUQVMN-GFCCVEGCSA-N 302.168 2.282 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1ccc(O)c(O)c1O 1951956373 ZRELNUKNTFAQLU-NSHDSACASA-N 309.318 2.054 10 10 DECE CN(CC[C@](C)(O)[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1980068896 FHGLGIABSIVMGK-YOEHRIQHSA-N 324.421 2.400 10 10 DECE Cc1ccc(O)c([C@H](C)NC[C@H](O)CNC(=O)OC(C)(C)C)c1 1985771079 BXJDQPRPPOZNFE-STQMWFEESA-N 324.421 2.237 10 10 DECE C[C@H](C[C@H]1CCCS1(=O)=O)NCc1ccc(Cl)cc1O 2156774180 ZDPCEODIJSJKTC-ZWNOBZJWSA-N 317.838 2.491 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@]3(CO)C2)c(Br)c1 2029636700 WNOXKDUJFCJHFN-GLXFQSAKSA-N 312.207 2.321 10 10 DECE O=C1Nc2cc(N3CC[C@@H]4C[C@@H]43)c(Br)cc2[C@@H]1O 706775671 LKDGWIYMIQVKOB-HUABCPSTSA-N 309.163 2.033 10 10 DECE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@H](C)C1O 688117341 NTJWJOZGTFPARS-UWVGGRQHSA-N 313.239 2.361 10 10 DECE O=C1Nc2cc(N3C[C@@H]4[C@H](C3)C4(F)F)c(Cl)cc2[C@@H]1O 715540126 OGCVPMBCEMEEGE-CVJICSNFSA-N 300.692 2.027 10 10 DECE CO[C@H]1COCC[C@H]1NCc1cc(Br)ccc1O 386860257 UOBQZOUFZKBYJW-YPMHNXCESA-N 316.195 2.048 10 10 DECE CCCN(CC(N)=O)c1ccc([C@@H](C)N)c(Br)c1 723164929 QRIYYGHPSDHCQC-SECBINFHSA-N 314.227 2.171 10 10 DECE CN(C)c1ccc([C@H](N)c2cn(C)nc2Br)cc1 2044755240 VUBDNQLZSZONNS-LBPRGKRZSA-N 309.211 2.297 10 10 DECE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccncc1Br 2056525377 GJWXFLJLONGSRH-SNVBAGLBSA-N 314.143 2.044 10 10 DECE CP(C)(=O)CN1CCN(Cc2cc(F)ccc2O)CC1 2205365881 UQGLLPVOJDJZCS-UHFFFAOYSA-N 300.314 2.229 10 10 DECE C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ccc(CO)cc1Br 2218464580 QDJJDPXWOLUXPW-BPNCWPANSA-N 312.207 2.291 10 10 DECE C[C@H](N)c1ccc(N2CC[C@]3(O)C[C@H]3C2)c(Br)c1 2254120862 LIAPEUIGKSODFL-CHIMOYNISA-N 311.223 2.430 10 10 DECE CSc1ncc(CNCc2ccccc2C(=N)NO)s1 2284540057 XVQUJMWTHBVFSK-UHFFFAOYSA-N 308.432 2.459 10 10 DECE CC[C@H](C)[C@@H](NCc1cc(Br)ccc1O)C(N)=O 2264142835 ZRHRQHSUWBUXKY-QPUJVOFHSA-N 315.211 2.144 10 10 DECE COCCNCc1c(OC)ccnc1Sc1nccs1 2281102597 NUZWYPDNSQECSH-UHFFFAOYSA-N 311.432 2.434 10 10 DECE Cc1c(C=CC(=O)N(CCN(C)C)c2ccccc2)cnn1C 2304163000 MIDJKXALBZEATG-UHFFFAOYSA-N 312.417 2.337 10 10 DECE COCC(=O)N(C)Cc1ccc(C)c(Br)c1O 2307479785 MCKUXPNSZFHJKZ-UHFFFAOYSA-N 302.168 2.068 10 10 DECE Cc1ccc(CN2CC3(CN(C)C3)C2)c(O)c1Br 2327796466 HWUGRBSOQWZHHC-UHFFFAOYSA-N 311.223 2.211 10 10 DECE Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)OC(C)(C)OC1=O 100247259 BLMFAIXJFHCHMT-UHFFFAOYSA-N 306.274 2.035 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)CCO 305200090 MMSAMQQHYGRZFS-UHFFFAOYSA-N 315.373 2.389 10 10 DECE COc1ccc2c(c1)C(=O)C(=O)c1cc(O)c(OC)c(OC)c1-2 1657802 SBNXJQQXIIRHIX-UHFFFAOYSA-N 314.293 2.464 10 10 DECE biogenic C[C@H](c1ccccc1O)N(C)C(=O)CSC1CCNCC1 127155703 LDTVSULLUUTMAO-GFCCVEGCSA-N 308.447 2.397 10 10 DECE CN[C@H](C)c1cnc(SCC2(S(C)(=O)=O)CC2)s1 2222023950 JVIJSUWQTZCENB-MRVPVSSYSA-N 306.478 2.093 10 10 DECE Nc1ccc(OCCNc2nc3ccc(Cl)cn3n2)cc1 94607886 VWZXLTJUVREDPI-UHFFFAOYSA-N 303.753 2.456 10 10 DECE C[C@H](N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(N2CCOCC2)cc1 247253523 YMKKELABZRYPTQ-HNONPPJISA-N 302.418 2.494 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C)C2=O)cc1 294481554 OARVXTCZSKJXLY-INIZCTEOSA-N 317.433 2.017 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 808511207 WVKVSHNWXUNIQR-UHFFFAOYSA-N 307.689 2.310 10 10 DECE CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 813051396 MWJMOXHZUWJINF-CYBMUJFWSA-N 309.385 2.212 10 10 DECE C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)CCCN3C)C1 816910949 XISJXVKMWKSOMU-CQSZACIVSA-N 301.434 2.027 10 10 DECE COc1cc(Cl)cc(CNCCc2cncc(C)n2)c1O 827384891 ZLPKUMNRHCOAOM-UHFFFAOYSA-N 307.781 2.485 10 10 DECE COC(=O)[C@H]1CSCCN(Cc2ccc(N(C)C)c(C)c2)C1 839672768 YRXBCMIZGDAMPF-OAHLLOKOSA-N 322.474 2.399 10 10 DECE C[C@@H](NC[C@H]1CCCCN1CCO)c1cc(F)cc(F)c1O 834849818 GBRIJZSUSPTXQB-DGCLKSJQSA-N 314.376 2.168 10 10 DECE CNC(=O)[C@@H]1CCC[C@H]1NC/C=C/c1ccc(N(C)C)cc1 835041540 MVANPLDIZPTSGI-SDKBWNRFSA-N 301.434 2.270 10 10 DECE CO[C@](C)(CO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O 848556313 UJVFYHRLSOGPOC-ZANVPECISA-N 307.312 2.459 10 10 DECE COc1cccc([C@@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)c1O 846169907 GWEVMYKAWVTEPY-GHMZBOCLSA-N 313.419 2.017 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1C1CCOCC1 923942070 MHWWOWNMTLJMKI-SMDDNHRTSA-N 308.353 2.146 10 10 DECE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)CO 924717573 VTVWPSDJPBWFFK-CYBMUJFWSA-N 310.413 2.159 10 10 DECE COC(=O)CC(C)(C)CNC(=O)N1Cc2cccc(O)c2C1 925002510 PTOYMQKLKAJUKH-UHFFFAOYSA-N 306.362 2.007 10 10 DECE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CO[C@@H](C2CC2)C1 858907729 PNDRSFSITGPQJZ-GXTWGEPZSA-N 310.781 2.412 10 10 DECE CCN1CC[C@H](N(CC)C(=O)/C=C\c2ccc(O)c(O)c2)C1 855491101 NQABBXFAUPMSRU-QPBFKRLHSA-N 304.390 2.054 10 10 DECE Oc1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)S3)[C@@H](O)CO2 863294552 HYCGGJOJFWKMEK-XUJVJEKNSA-N 307.415 2.288 10 10 DECE C[C@H](NC1CN(c2ccncn2)C1)c1ccc(Cl)cc1O 866496697 VPTVQALACRYMQQ-JTQLQIEISA-N 304.781 2.375 10 10 DECE Cc1nn(C)c(C)c1CCCNC(=O)NCc1ccccc1O 774768928 FIOTYFRNQZSWFH-UHFFFAOYSA-N 316.405 2.175 10 10 DECE COC(=O)[C@@H]1CSCCN(Cc2cc(F)cc(F)c2O)C1 895015982 KAVLSFNPFWVCBM-JTQLQIEISA-N 317.357 2.008 10 10 DECE COc1ncc(CN2CCOc3cc(N(C)C)ccc32)c(C)n1 799147775 OQYVHCVJAAUQRW-UHFFFAOYSA-N 314.389 2.259 10 10 DECE CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1ccccc1F 1150198029 QEQCJYMQFAFKCD-ZFWWWQNUSA-N 319.332 2.479 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2O)ccc1[N+](=O)[O-] 1156881037 MIRIUVSFIULKDY-UHFFFAOYSA-N 302.286 2.244 10 10 DECE COc1cccnc1C(=O)NCc1ccc2cccnc2c1O 1162612569 MISKQXHGVKKPEG-UHFFFAOYSA-N 309.325 2.274 10 10 DECE CN1CCNC[C@@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1535928631 QJWAVMXXDAZMCP-CYBMUJFWSA-N 307.394 2.315 10 10 DECE C[C@@H]1Cc2n[nH]cc2CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1471819348 VXXHGOWRXFMJFE-JOAKQRRISA-N 313.357 2.055 10 10 DECE Cn1cc(C(=O)NCc2ccc(O)c(O)c2)c(-c2ccco2)n1 1545639236 GYYDWZJAPPEZIZ-UHFFFAOYSA-N 313.313 2.021 10 10 DECE CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1628752332 IDFLTOLOMUPZJF-WCQYABFASA-N 304.350 2.082 10 10 DECE CC(=O)c1ccc2c(c1)CN(C(=O)Cc1ccc(O)c(O)c1)C2 1626324717 JSBGHGBEMMCJHZ-UHFFFAOYSA-N 311.337 2.385 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(CCS(=O)(=O)C2CCCC2)C1 1912177655 KLFABRGDCDSABJ-LBPRGKRZSA-N 300.428 2.366 10 10 DECE CN(C)c1cccc(NS(=O)(=O)c2ccccc2CN)c1 161146920 WEHQGGGCIZTSNG-UHFFFAOYSA-N 305.403 2.012 10 10 DECE CCOc1cccc(CNCC(=O)Nc2nc(C)cs2)c1O 1857854389 YMELMUCFGYHIIF-UHFFFAOYSA-N 321.402 2.284 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)[C@H](C)C2)c1O 1970333865 ZOBRSZJHWNPMQL-GSDQLPOLSA-N 315.822 2.201 10 10 DECE CC(C)(C)OC(=O)NCCOCC[C@H](N)c1ccccc1O 1933193346 ROBQUYIBOONYJJ-ZDUSSCGKSA-N 310.394 2.323 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)CO1 1936970732 OLQJKICRAVNDOR-SLEUVZQESA-N 322.405 2.322 10 10 DECE CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(N)ccc3O)C2)C1 1977892208 FSVZWGBXRXYZAM-UHFFFAOYSA-N 319.405 2.027 10 10 DECE Cc1ccc(O)c([C@H](C)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1 1985856556 CNALSVFCDBJNEM-STQMWFEESA-N 324.421 2.237 10 10 DECE CN(C)c1ccc(CN=c2cc(Br)n(C)[nH]2)cc1 2038256423 ZAYGDTFAJONBLN-UHFFFAOYSA-N 309.211 2.283 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)[C@H](C)c1cc(F)ccc1O 2160752677 ZLXMDCJBDWJCGD-WDEREUQCSA-N 303.399 2.347 10 10 DECE C[S@@](=O)CC1CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2166657903 SHTCJGWWAAHVMQ-HXUWFJFHSA-N 312.866 2.407 10 10 DECE CNCc1ccc(N2C[C@H](O)C[C@@H](F)C2)c(Br)c1 2219155875 QZIKTUCHYJVGSD-GHMZBOCLSA-N 317.202 2.078 10 10 DECE C[C@@H]1C(=O)N(c2ccc(F)cc2Br)N=C1C(=O)O 2256174094 JFUHDLFZENWEFB-YFKPBYRVSA-N 315.098 2.012 10 10 DECE C[C@@H]1CCCCN1CCNC(=O)C=Cc1ccc(O)c(O)c1 2307990288 HBUWAKZEZWTPDI-CYBMUJFWSA-N 304.390 2.102 10 10 DECE C[C@@H](O)c1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2308001695 HERIAGWVDQFJHR-GFCCVEGCSA-N 313.353 2.481 10 10 DECE NC[C@H]1C[C@@H]2CC[C@H]1N2Cc1c(O)cccc1Br 2309709137 WCKFNTBDNLQZHT-GBIKHYSHSA-N 311.223 2.466 10 10 DECE CC(C)n1nc(Br)nc1[C@@H](N)c1ccccc1O 2328500334 HNVJPNGUPBHODU-JTQLQIEISA-N 311.183 2.375 10 10 DECE CC(C)S(=O)(=O)N(C)Nc1nc2cc(F)ccc2s1 2339714399 VRDLLJVYBULAOP-UHFFFAOYSA-N 303.384 2.432 10 10 DECE COc1ccc(N2CCN(c3ncc(C=O)s3)CC2)cc1 54861711 NUFRKUUIXOXWAC-UHFFFAOYSA-N 303.387 2.291 10 10 DECE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC1CCCC1 62836271 SRAREJUDWNSMRU-NSHDSACASA-N 310.419 2.201 10 10 DECE CCO[C@@H]1C[C@](O)(CNCc2ccc(N(C)C)cc2)C1(C)C 188927215 NDFSVLRLUPZBJO-AEFFLSMTSA-N 306.450 2.408 10 10 DECE Oc1cccc(-c2nn3c([C@H]4CCCO4)nnc3s2)c1O 134169102 LWTVZXZNUNRTMW-SECBINFHSA-N 304.331 2.116 10 10 DECE CC(=O)N[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)C1 228306512 UTDFRXZWGRCXJC-PYEVWLCESA-N 308.765 2.153 10 10 DECE CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(C)c1O 372281648 JFYBHEKNGWTJCU-GJZGRUSLSA-N 307.390 2.243 10 10 DECE CN(C)c1ccc(/C=C/CN2C[C@@H](CO)OC(C)(C)C2)cc1 817412895 QGSIUHKZZLWTFB-RTRPANQVSA-N 304.434 2.238 10 10 DECE CN1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 729526697 BIGWBPMAHHIQNF-MRXNPFEDSA-N 301.434 2.245 10 10 DECE CN(C)c1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 824654765 QIQZHZVQTMXLPL-JQHSSLGASA-N 304.434 2.114 10 10 DECE CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N(C)C)cc1C 838478731 LFLWAKRUSOQJQO-WBVHZDCISA-N 319.449 2.363 10 10 DECE c1cc(N2CCCC2)ccc1CN[C@@H]1CCO[C@@]12CCOC2 903067897 XXZVFNQZXRYDPR-QZTJIDSGSA-N 302.418 2.324 10 10 DECE Nc1ccc(CCNC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1 841958940 IALYJJHZXNXMJR-RDJZCZTQSA-N 319.449 2.442 10 10 DECE Cn1nccc1[C@@H]1COCCN1Cc1cccc(Cl)c1O 846116596 UYPYBBLDDQUZKD-AWEZNQCLSA-N 307.781 2.353 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)CO 840303622 FADIVLFRKYKGBB-SOUVJXGZSA-N 321.465 2.308 10 10 DECE CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 844777066 DKOISPJIJDIFNY-MRXNPFEDSA-N 305.422 2.463 10 10 DECE CC1(C)CCC[C@@](O)(CNC(=O)NCCc2ccc(N)cc2)C1 841959045 JONRBCICFSNKHT-SFHVURJKSA-N 319.449 2.442 10 10 DECE CCN(CC)c1ccc(CN[C@H]2CCc3nnn(C)c3C2)cc1 922999049 OAWZYSNTZPVYIP-HNNXBMFYSA-N 313.449 2.308 10 10 DECE CCN(C)c1ccc(CN2CCC(N3CC[C@H](O)C3)CC2)cc1 852707927 LQJNZWHLUUWTQN-IBGZPJMESA-N 317.477 2.174 10 10 DECE C[C@@H]1OCC[C@@H]1N(CCO)Cc1cc(F)c(N(C)C)cc1F 862387641 PFIPGGJYAZDYCX-NHYWBVRUSA-N 314.376 2.003 10 10 DECE CC(C)(C)n1ncc2c(N)nc(N3Cc4cccc(O)c4C3)nc21 866118033 VFROPQIJGBMXDU-UHFFFAOYSA-N 324.388 2.389 10 10 DECE C/C=C/C[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)OCC 763366231 QLOIEHKTYRUTSI-IYNGYCSASA-N 323.389 2.397 10 10 DECE CN(CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1cccs1 871198868 PWDNOTAWXFNLKE-UHFFFAOYSA-N 316.382 2.068 10 10 DECE COc1cnccc1[C@@H](C)NC(=O)NCc1ccccc1O 782655828 XWEVSVPUGAOKDJ-LLVKDONJSA-N 301.346 2.356 10 10 DECE CC(C)NC(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 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CC(=O)C(=O)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 1939534899 KZQZZBIPONBDIV-IBGZPJMESA-N 315.413 2.484 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1c(O)cc(O)cc1O 1952136521 TZMULPCGCGVOHK-ONGXEEELSA-N 324.377 2.203 10 10 DECE Clc1snnc1COc1ccc(N2CCNCC2)cc1 148428007 XQLRRKBKVQHVDO-UHFFFAOYSA-N 310.810 2.180 10 10 DECE CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(O)c2O)CC1 1952448695 NDVOAZPPGFRCAU-UHFFFAOYSA-N 322.405 2.325 10 10 DECE COC[C@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977937460 BSKHGTNISFDPTR-QGZVFWFLSA-N 324.421 2.111 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151275494 XMYBXLOQVCZBDP-ISTVAULSSA-N 315.822 2.017 10 10 DECE CC(C)(C)OC(=O)NC12CC(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)(C1)C2 1985093705 DAHIVDLOUQMGIB-SFNBMPIDSA-N 321.381 2.345 10 10 DECE C[C@@]1(C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 711527230 IKHGWOQSHXSKTF-ZDUSSCGKSA-N 320.172 2.375 10 10 DECE COc1ccc(Br)c(CN2CCO[C@H](C)C2)c1O 1231551339 XWECRJZOERNYFD-SECBINFHSA-N 316.195 2.384 10 10 DECE CN1CC[C@H](C(=O)NCc2c(O)cccc2O)c2ccccc21 1156885745 MZQCFHVSVVYTJT-ZDUSSCGKSA-N 312.369 2.338 10 10 DECE C[C@@H](N)c1ccc(N2CC([S@@](C)=O)C2)cc1C(F)(F)F 2171957559 SGNUGRRSPLNVKI-ZPWHCFADSA-N 306.353 2.292 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2057004162 AAPBXLCTHWIOFG-JRKPZEMJSA-N 317.202 2.235 10 10 DECE Nc1cccc(Br)c1N[C@@H]1[C@@H]2C[C@H]3[C@H](CN[C@H]31)C2 2071646597 RFIKCKYJAZGDPK-CDJGPZEFSA-N 308.223 2.440 10 10 DECE O=C(O)[C@H]1C[C@H](O)CCN1Cc1cc(Cl)cc(Cl)c1O 2201087782 BKQXVHWLZORATC-MWLCHTKSSA-N 320.172 2.109 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cnc(Br)cn1 2221595948 LWGHYJFYBIFRDC-SSDOTTSWSA-N 311.143 2.154 10 10 DECE C[C@H](CF)N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 2257933286 GOBMHWGTMZQYRQ-KSBSHMNSSA-N 316.174 2.195 10 10 DECE CSc1ncc(CN[C@@H](C)[C@@H]2CCCS(=O)(=O)C2)s1 2269278741 OJVSLBBMSRPOQB-VHSXEESVSA-N 320.505 2.168 10 10 DECE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1O 2297321307 UOQNJMYRZUMGHB-UHFFFAOYSA-N 324.336 2.252 10 10 DECE 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10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)c1cnc(Cl)c(F)c1 2162762664 RCLXUHAWWYBSDT-UHFFFAOYSA-N 315.757 2.281 10 10 DECE Nc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 297337799 YEECUNUVFWIOGW-CVEARBPZSA-N 324.380 2.460 10 10 DECE C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccnn1C 817514695 BFILYYOZSMXCQO-CYBMUJFWSA-N 300.406 2.248 10 10 DECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC12CC2 817428853 YQOHEUKDJYOPKO-CYBMUJFWSA-N 304.365 2.079 10 10 DECE N=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 575408896 REERGODLVVAECG-INIZCTEOSA-O 324.360 2.403 10 10 DECE C[C@H](NC(=O)N[C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1 822790236 GGFVIYPNFGYOPV-BBRMVZONSA-N 315.417 2.436 10 10 DECE Cc1cc(O)c(CN(C)C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 840918623 WUDHMHQNCGZBNQ-LLVKDONJSA-N 317.838 2.221 10 10 DECE C[C@@H]1C[C@H](CO)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1 844218163 NMWNJTAOSNJVFS-QIPCVNDGSA-N 320.345 2.147 10 10 DECE CCN(CC)c1ccc(CNCC[C@]2(O)CCOC2)cc1F 846049632 OTRUVNJDRNUKOG-KRWDZBQOSA-N 310.413 2.303 10 10 DECE 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Cc1ccc(CN(C)[C@@H]2[C@@H]3CNC[C@@H]32)c(O)c1Br 2327790438 TWHQGSFIAUGJCU-PTEHBNRSSA-N 311.223 2.113 10 10 DECE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1F 38106168 GMIURZRIKVTQBV-UHFFFAOYSA-N 312.278 2.240 10 10 DECE COc1ccc(N2CCN(C)CC2)cc1NC(=O)C1CCC1 74586940 MBNVDQNQYCCXQQ-UHFFFAOYSA-N 303.406 2.186 10 10 DECE CN(C)C1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 319616352 ZJIKUKDUVFWUPK-XQRVVYSFSA-N 319.361 2.223 10 10 DECE C[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCO 190238324 TXWSPQBKXJOBLW-CQSZACIVSA-N 300.402 2.044 10 10 DECE Cc1nn(C)c(Cl)c1C[C@H](NN)c1ccc(N(C)C)cc1 97780948 IHFSODKECFUNBB-AWEZNQCLSA-N 307.829 2.195 10 10 DECE CCN1CCN([C@@H]2CCN(Cc3cc(Cl)ccc3O)C2)CC1 93132940 LWTXYDWYMFCWHL-MRXNPFEDSA-N 323.868 2.257 10 10 DECE Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccn2)c(O)c1O 370357495 AYHCDOOLKSXUDZ-UHFFFAOYSA-N 324.340 2.454 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nccn2c1 808092882 BCAOOYHWCLELII-UHFFFAOYSA-N 316.357 2.456 10 10 DECE C[C@H]1CC[C@@H](OC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 815197302 OIACELGCKKTZJC-GXSJLCMTSA-N 313.375 2.109 10 10 DECE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2ccc(Cl)cc21 662422909 RUIXSUHLVYPJDR-LLVKDONJSA-N 316.792 2.343 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CCCC(C)(C)C1 831930775 IHBXYJRAPVMVLZ-KZULUSFZSA-N 321.417 2.476 10 10 DECE C[C@@H]1[C@@H](CO)CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 844210192 RHDPUIZPFGFTPF-HHQZKXIDSA-N 320.345 2.290 10 10 DECE COC(=O)/C(C)=C\CN(C)Cc1ccc(N2CCOCC2)cc1 748809756 JQKJZKZPAXUNPM-NVNXTCNLSA-N 318.417 2.074 10 10 DECE O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@@H]2CCC[C@@H]21 840146157 OYYYGLAVKLOWHB-WBVHZDCISA-N 321.442 2.032 10 10 DECE Cc1cc(O)c(CNC[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 840945524 PLBYTAXHGILVPF-NSHDSACASA-N 317.838 2.268 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC12CCCC2 929006049 NVFAIQMUIDVVGD-CQSZACIVSA-N 300.358 2.489 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C3CCC(=O)CC3)C2)cc1 855232646 WETQYIPLNFIXGM-CQSZACIVSA-N 316.401 2.149 10 10 DECE C[C@@H](NCCC1CCS(=O)(=O)CC1)c1ccc(F)cc1O 756779914 NYRKLDXOOGGZHM-LLVKDONJSA-N 315.410 2.397 10 10 DECE CN(Cc1cc2c(cc1O)OC[C@@H]2O)C1Cc2ccccc2C1 768441707 GIQGAIJFDOTMKM-SFHVURJKSA-N 311.381 2.417 10 10 DECE CC[C@@H]1NCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C 861583326 RFDODBYQUDLNLN-JKSUJKDBSA-N 304.438 2.001 10 10 DECE COc1ccc(CNC(=O)NC2CC3(C2)CC3(F)F)c(O)c1 1118501808 NTTLFMJHYAAAIV-UHFFFAOYSA-N 312.316 2.388 10 10 DECE CO[C@@H](C)c1noc(CN(C)Cc2cc(F)cc(F)c2O)n1 894083173 BLIIAIDIZLGQJJ-QMMMGPOBSA-N 313.304 2.393 10 10 DECE Cc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c(O)c1O 780963434 PIAHNBDPDWWDJM-QGZVFWFLSA-N 305.374 2.439 10 10 DECE CC(C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 895646198 IWIHPBXTHCFFAY-UHFFFAOYSA-N 320.414 2.479 10 10 DECE CN1CCCc2cc(CNC(=O)COc3ccsn3)ccc21 1142465958 YUFWEFDPMKYIIR-UHFFFAOYSA-N 317.414 2.221 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1CCN2CCC[C@H]12 300403905 WYWAENGGLKEBCX-CHWSQXEVSA-N 311.223 2.481 10 10 DECE COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 192641 RXOUWRFCGHZSCJ-KAMYIIQDSA-N 322.320 2.362 10 10 DECE O=C(Cc1cnn(-c2ccccc2)c1)NCc1cc(O)ccc1O 1471660646 GFFRQFBHFZDDIE-UHFFFAOYSA-N 323.352 2.142 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(Cl)cc1 1618753931 REXLLYNSQVWERY-UHFFFAOYSA-N 321.760 2.489 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc(OC(F)F)nc1 1545639439 OSMDCBQIAKCFHA-UHFFFAOYSA-N 310.256 2.024 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1C1CCOCC1 1632851108 MTSKSSUDAAZRAV-AWEZNQCLSA-N 305.374 2.058 10 10 DECE COc1cccc(CNC(=O)c2conc2C(F)(F)F)c1O 1595799951 LEYRLIJBUJHBGK-UHFFFAOYSA-N 316.235 2.338 10 10 DECE CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1597435810 QQFMAQZTELFWHB-UWVGGRQHSA-N 320.349 2.167 10 10 DECE Oc1cccc(F)c1CNCc1n[nH]cc1Br 1660749348 WDFDUASRROPJHF-UHFFFAOYSA-N 300.131 2.307 10 10 DECE CC(C)(C)OC(=O)NCCCONCc1ccc(O)c(O)c1 1928529295 MNKWFBUDTJEBLY-UHFFFAOYSA-N 312.366 2.034 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(NCc3ccc(N)cc3)[C@@H]2C1 1929717162 VOSXKOYZOSBCOO-ZIAGYGMSSA-N 303.406 2.224 10 10 DECE C[C@H](c1ccc(F)cc1O)N1CCC[C@@H]1CS(C)(=O)=O 2151229941 DGFFJTZZSHFTTH-ZYHUDNBSSA-N 301.383 2.101 10 10 DECE CC1([C@@H]2CCCN(C(=O)CCc3ccc(N)cc3)C2)OCCO1 2145842782 ABHABOWUFBBDAV-OAHLLOKOSA-N 318.417 2.203 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(CO)cc1 2157767082 IDZASTIGPIUGCU-UHFFFAOYSA-N 313.762 2.339 10 10 DECE C[C@@H]1C[C@H](C(=O)O)N(Cc2c(O)cccc2Br)C1 2041344117 YXDMJPOIAYFINN-LDYMZIIASA-N 314.179 2.450 10 10 DECE CN(C)C(=O)c1cnn(Cc2cc(Br)ccc2O)c1 2069904245 CZWFMIPXBSIGGD-UHFFFAOYSA-N 324.178 2.101 10 10 DECE C[C@H]1[C@H](C)S(=O)(=O)CCN1[C@H](C)c1cc(F)ccc1O 2170447795 ZCMPUGWBBQRPIG-AXFHLTTASA-N 301.383 2.100 10 10 DECE COc1cc(/C=C2/SC(N3CCCC3)=NC2=O)ccc1O 68985 TTXLVZDOGASQDD-UKTHLTGXSA-N 304.371 2.467 10 10 DECE OCc1ccc(N2[C@H](CO)[C@H]3CC[C@@H]2C3)c(Br)c1 2058369238 XSIGFYOVMXLDEC-MISXGVKJSA-N 312.207 2.291 10 10 DECE O=C1Nc2cc(N3CC[C@H]3C3CC3)c(Br)cc2[C@H]1O 2088662454 PBSKPAFUCNPCJD-WCQYABFASA-N 323.190 2.423 10 10 DECE CCN(C)C[C@@H](C)NCc1cc(Br)c(O)cc1O 2256016224 FFDBFMRJGLDSGP-SECBINFHSA-N 317.227 2.290 10 10 DECE CSc1ncc(CNc2cc(C(N)=O)c(N)cc2F)s1 2284652102 OQXLMSKPVMIEIE-UHFFFAOYSA-N 312.395 2.297 10 10 DECE CCOC[C@H]1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987170 IYTRCCWYZPVUBV-AWEZNQCLSA-N 305.374 2.386 10 10 DECE Cc1ccc(CN2C[C@H]3CNC[C@@H]3C2)c(O)c1Br 2327624515 RWKAFKYIUQCQTF-VXGBXAGGSA-N 311.223 2.114 10 10 DECE COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1 178127018 ZMWGPUZZKLIUER-RHSMWYFYSA-N 318.417 2.301 10 10 DECE CCOc1ccc(/C=C2/SC(=S)N(N)C2=O)cc1OC 210388780 CLNSIFNIOVOMRN-YRNVUSSQSA-N 310.400 2.169 10 10 DECE CC[C@@H](C)NC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 243696317 PJZHTCRCTWWKOT-OAHLLOKOSA-N 319.449 2.122 10 10 DECE CO[C@@H](C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255869832 MRVWEZOVAZSCRL-PODYEWJSSA-N 305.374 2.115 10 10 DECE COC[C@H](C)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 263635640 XOILOQKSNAIDKU-PODYEWJSSA-N 305.374 2.115 10 10 DECE COc1ccc(O)c(CN2CCC(Oc3cnccn3)CC2)c1 369670681 PGZOXWABTROSAZ-UHFFFAOYSA-N 315.373 2.234 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccon3)C2)cc1 822305193 KBQZFCLAGQXRRH-LLVKDONJSA-N 302.334 2.084 10 10 DECE CC(C)[C@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 835025378 FBHZSCIAHAHWKF-RTRPANQVSA-N 301.434 2.222 10 10 DECE OC[C@]1(CNCc2cc(F)ccc2O)CCc2ccccc21 846010028 DEMGOGHETHVDDF-GOSISDBHSA-N 301.361 2.497 10 10 DECE O=C(C[C@H]1OCc2ccccc21)NCCc1ccc(O)c(O)c1 847589835 NOHSNCQYJZEDMM-QGZVFWFLSA-N 313.353 2.418 10 10 DECE CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CC1 842590265 WSEKUMSAMHJTOV-LBPRGKRZSA-N 305.783 2.212 10 10 DECE c1cc2c(cc1CN[C@@H]1CCO[C@]3(CCOC3)C1)CCCO2 921963165 ZVQWIOJCTCTLJA-SJLPKXTDSA-N 303.402 2.439 10 10 DECE COc1cc(CNC2(C(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 850324982 PEGPWFZWIZRXBF-UHFFFAOYSA-N 320.433 2.409 10 10 DECE COC(=O)/C(C)=C\CN1CCN(c2ccc(OC)c(F)c2)CC1 753857401 LHXPQTZMGDLQRC-MLPAPPSSSA-N 322.380 2.076 10 10 DECE C[C@](O)(CNCc1ccc(Br)cc1O)C(F)F 698650792 IHHCWILVYOYRQY-NSHDSACASA-N 310.138 2.260 10 10 DECE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c2c(C)nn(C)c2n1 871199306 VXPIGBQOPCYIDA-UHFFFAOYSA-N 322.368 2.447 10 10 DECE Cc1cc(Br)c(O)c(CN(C)Cc2nc[nH]n2)c1 781912458 QDEYFQWHSSUERJ-UHFFFAOYSA-N 311.183 2.213 10 10 DECE COc1ccc(CNC(=O)Nc2ccc(N(C)C)nc2)c(O)c1 797613136 GJUPFAIRYXYVJF-UHFFFAOYSA-N 316.361 2.184 10 10 DECE CN(CCOc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1135417026 QLDNUPHPMIAAOM-UHFFFAOYSA-N 301.342 2.178 10 10 DECE CCC1(O)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 1162625735 IHGDYYJFJQCQRT-UHFFFAOYSA-N 310.350 2.353 10 10 DECE NCc1ccc(N2CC(OCC(F)F)C2)cc1Br 687898560 KPPPANPELXUPJW-UHFFFAOYSA-N 321.165 2.378 10 10 DECE COc1cc(Cl)cc(CN[C@@H]2CC(=O)N(CC3CC3)C2)c1O 1331579010 FXLATGXYMYSKSD-CYBMUJFWSA-N 324.808 2.155 10 10 DECE C[C@@H]1[C@@H]2CNC[C@@H]2CN1Cc1ccc(Br)cc1O 691486196 GSISBNRSWLLSBS-XWIASGKRSA-N 311.223 2.194 10 10 DECE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)n2nc(C)cc2n1 1471355111 AGSMYELHFIFDOT-UHFFFAOYSA-N 308.341 2.208 10 10 DECE Nc1nc(NCc2cccc(Cl)c2O)nc(C(F)(F)F)n1 1613056623 GEMNLRSMBYMOBQ-UHFFFAOYSA-N 319.674 2.444 10 10 DECE CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 1625125954 XHXKWAHYOALTJJ-ZDUSSCGKSA-N 320.414 2.121 10 10 DECE Cc1cc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2[nH]c1=O 1637356882 FFSHVXMVOYSZKL-UHFFFAOYSA-N 324.336 2.429 10 10 DECE CCC(O)(CC)Cn1c(C)nnc1N(C)Cc1ccccc1O 1744180210 OSFFGRMGHFLANS-UHFFFAOYSA-N 318.421 2.480 10 10 DECE O=C(NCc1c(O)cccc1O)C1C[C@@H]2CCC[C@H](C1)C2=O 1597568576 HDHDFKCXGWYVMY-FOSCPWQOSA-N 303.358 2.109 10 10 DECE Cc1nsc(Br)c1[C@H](NN)c1ccccc1O 1912980103 GDYWGINKROREDC-SNVBAGLBSA-N 314.208 2.472 10 10 DECE CCC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C 162505161 LNQDTZQWCAYRBN-QGZVFWFLSA-N 303.450 2.416 10 10 DECE COc1ccc(N2CC[C@H](CNC[C@H]3CCCO3)C2)cc1OC 250439182 HNDMECALGHJTRT-GDBMZVCRSA-N 320.433 2.299 10 10 DECE Nc1ccc(OCCCN2CCC[C@H](NC(=O)C3CC3)C2)cc1 586066169 QVWZLZHCTWPZEC-INIZCTEOSA-N 317.433 2.028 10 10 DECE Oc1cc(Br)ccc1CNCC[C@H]1COCCO1 1967714908 CPBJPVQUYVYFJZ-LBPRGKRZSA-N 316.195 2.050 10 10 DECE COc1cc(Cl)cc(CNCC[C@H](C)[S@@](C)=O)c1O 169094409 BJEVZXHIRVVJAP-UGZDLDLSSA-N 305.827 2.301 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1985103019 PEGDBAITBYNICM-NEPJUHHUSA-N 321.381 2.463 10 10 DECE C[C@@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 2148781050 DOROIEUTPMKBST-MNOVXSKESA-N 317.838 2.264 10 10 DECE NCc1ccc(N2CC[C@@H](O)C3(CC3)C2)cc1Br 2032262234 NKDSQUXRPHYCRO-CYBMUJFWSA-N 311.223 2.259 10 10 DECE OCCC1(CNCc2ccc(Br)cc2O)CC1 691427167 MUKYDINSFLJXEK-UHFFFAOYSA-N 300.196 2.407 10 10 DECE COC[C@H](C)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 399696235 QNSFKIHDZJNZKM-LURJTMIESA-N 314.190 2.476 10 10 DECE CN[C@H](c1ccccc1O)[C@@]1(O)CS[C@@H](C(F)(F)F)C1 2189224680 MMZGYWYBTNPAAL-UTUOFQBUSA-N 307.337 2.452 10 10 DECE OCc1ccc(N2CC[C@@H]2c2ncon2)cc1Br 2042314784 AYZJVEFTXJTQFO-LLVKDONJSA-N 310.151 2.276 10 10 DECE OCC1CC(F)(CNCc2c(O)cccc2Br)C1 2049632633 GHOTVYIXOGIXSV-UHFFFAOYSA-N 318.186 2.355 10 10 DECE NCc1ccc(N2CC=CC[C@@H]2CO)c(F)c1Br 2056278383 WXESHNPCEOBERO-SNVBAGLBSA-N 315.186 2.174 10 10 DECE CN1CCN(c2ccc(CN)c(Br)c2)CC12CC2 2068131855 LNFDIICQCZHYDA-UHFFFAOYSA-N 310.239 2.192 10 10 DECE OC[C@]12C[C@@H]1CC[C@@H]2NCc1cc(Br)ccc1O 2068393159 DLBPNZPWXHVMHZ-LEWSCRJBSA-N 312.207 2.405 10 10 DECE CN(c1ccc(CO)cc1Br)[C@@H]1COCC1(F)F 2076373299 DKRLFFDMMRGKNX-LLVKDONJSA-N 322.149 2.412 10 10 DECE Oc1ccc(CNC[C@@]2(Br)CC2(F)F)c(O)c1O 2082489065 KCEFMUKUFFTWCS-JTQLQIEISA-N 324.121 2.066 10 10 DECE CSc1ncc(CN=[S@@](N)(=O)N2CCCCCC2)s1 2269262460 ZKZQSIGKDNVUBE-LJQANCHMSA-N 320.509 2.498 10 10 DECE CN(C)c1ccc(CNC=C2C(=O)NC(=O)c3ccccc32)cc1 2296193761 QXHWSUKJJPLCGI-UHFFFAOYSA-N 321.380 2.153 10 10 DECE O=C1NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1 2296412309 ADLWVYMZZIAYDP-UHFFFAOYSA-N 300.264 2.426 10 10 DECE Cc1ccc(CN(C)C(=N)N(C)C)c(O)c1Br 2307565259 LDUFXULDTJTEMB-UHFFFAOYSA-N 300.200 2.391 10 10 DECE Oc1c(Br)cccc1CNC1Cc2nccnc2C1 2351587478 HRJRIEQTCGWQOO-UHFFFAOYSA-N 320.190 2.202 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cscc1Br 304548584 JSVQONJHJUKPQX-QMMMGPOBSA-N 318.200 2.327 10 10 DECE CC1(C)[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 301710010 XFQPEHGRXBCUOH-IUCAKERBSA-N 303.318 2.018 10 10 DECE CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1F 188725065 GFBLMADDSXLHJJ-OAHLLOKOSA-N 323.456 2.170 10 10 DECE C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490503 AURDOTICHWTCES-DOMZBBRYSA-N 312.435 2.146 10 10 DECE COc1cc(N2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC 318508430 GKJAILRPCNUCBN-SNVBAGLBSA-N 310.350 2.209 10 10 DECE Nc1ccc(-n2ccc(C(=O)N[C@H]3CCCSC3)n2)cc1 136295482 OCVJMILAZMHPAL-LBPRGKRZSA-N 302.403 2.080 10 10 DECE CC(=O)N(C(=S)N1CCCC[C@H]1CCO)c1ccc(N)cc1 243697133 PKLIRUIIKJXQEU-AWEZNQCLSA-N 321.446 2.144 10 10 DECE CO[C@@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 249038218 MPFXUDCVHUUXQL-JKSUJKDBSA-N 317.433 2.436 10 10 DECE CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(O)c1O 382713170 IMCPVJGXAGESPT-NWDGAFQWSA-N 308.378 2.020 10 10 DECE C[C@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 294619702 JCOZPIWMXJNRHW-MNOVXSKESA-N 316.804 2.072 10 10 DECE CO[C@H]1C[C@@H](N(C)C(=O)NCCCSc2nccs2)C1 806958480 IQFJIFXOUOHKLJ-PHIMTYICSA-N 315.464 2.444 10 10 DECE O=C(C[C@@H]1CCCO1)NCc1cc(Br)ccc1O 804735396 XHAMBSSKLKFZFU-NSHDSACASA-N 314.179 2.340 10 10 DECE CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@H]1CCOC1 812484306 DGZZKBUAPDDDEG-IYNGYCSASA-N 320.345 2.396 10 10 DECE Cc1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)c1O 824517387 UBHVHZOMCIPJSC-AWEZNQCLSA-N 317.410 2.361 10 10 DECE CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(O)c(O)c1 588406784 NFZXUGJUTWHJGI-JHSOUAKNSA-N 316.401 2.196 10 10 DECE CC(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 835026082 PIWVZQJTGATURN-YVACAVLKSA-N 301.434 2.318 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCOCC1 906427261 GYDZTTMTWSOQNS-UHFFFAOYSA-N 320.433 2.033 10 10 DECE COC(=O)C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835027175 CTZSYCOGTACCGB-CHYADLBTSA-N 318.417 2.030 10 10 DECE CN(Cc1ccccc1O)C(=O)c1cc(C2CCNCC2)no1 852790951 WDADWERAJURJTP-UHFFFAOYSA-N 315.373 2.119 10 10 DECE C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nccn1C 852687770 BRLGPNCCBMPYRU-LLVKDONJSA-N 319.384 2.186 10 10 DECE Cn1cc(-c2cc(COC(=O)c3cc(O)cs3)on2)cn1 769100980 JCEAVDJLIXSDIV-UHFFFAOYSA-N 305.315 2.199 10 10 DECE C[C@@](O)(C[C@@H](O)CNCc1ccc(N2CC=CC2)cc1)C1CC1 872203677 ABECDZNVHLEIPV-RTBURBONSA-N 316.445 2.064 10 10 DECE COc1ccc(CNC(=O)c2cccc3nccnc23)c(O)c1 794387506 KCPBWPVPXXZHCM-UHFFFAOYSA-N 309.325 2.274 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCCCN=[N+]=[N-] 1895876495 VYWUUZKWVGCZEA-SDDRHHMPSA-N 323.397 2.449 10 10 DECE COc1ccc(CNC[C@H](C)CNC(=O)c2cocn2)cc1C 1319167750 PMLBXXGDLPJXJT-LBPRGKRZSA-N 317.389 2.147 10 10 DECE O=C(NC1CC1)[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 1318084440 WAWYQZCPKGKWBY-HNNXBMFYSA-N 314.429 2.372 10 10 DECE C[C@@H](CCN(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 1618594378 WUAPAKIRFRVQDN-ZDUSSCGKSA-N 305.422 2.066 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1cnc2cc(O)ccc2c1 1630334633 DEQZKXTVPQEOKA-UHFFFAOYSA-N 324.336 2.324 10 10 DECE CCN(C)c1ccc(CN2CCC[C@@H](C(=O)N(C)C)C2)cc1 1655709904 ZMRXPVAQOCOCAB-MRXNPFEDSA-N 303.450 2.443 10 10 DECE Nc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 160379855 JNDGECGSDOHPDM-AWEZNQCLSA-N 309.369 2.256 10 10 DECE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928468973 CBIIEUCWCHJMDQ-DDTOSNHZSA-N 310.394 2.320 10 10 DECE CC(C)(C)OC(=O)N[C@@H](C=CC(=O)O)Cc1ccc(O)c(O)c1 1951381161 INDVSYNVRFPHOJ-NSHDSACASA-N 323.345 2.174 10 10 DECE COc1ccc(O)c(CNC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1978008789 LGYFLUJXSHHHBJ-SMDDNHRTSA-N 322.405 2.404 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNCc1ccc(O)c(O)c1 1992541157 YDCBXEFTOKUCOT-CYBMUJFWSA-N 320.389 2.363 10 10 DECE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@]2(CCOC2)C1 2154538811 CHRRPWITKJECLX-BXUZGUMPSA-N 317.216 2.391 10 10 DECE CCOC(=O)C1=NN(c2ccccc2Br)C(=O)C1 2037182558 FBUMDZUOWHATOV-UHFFFAOYSA-N 311.135 2.105 10 10 DECE N[C@@H]1CC[C@@H]2CN(Cc3c(O)cccc3Br)C[C@H]21 706871946 ROKDIZGYWCXENQ-GIPNMCIBSA-N 311.223 2.324 10 10 DECE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)[C@H](C)c1ccc(F)cc1O 2170657306 PHWMSAMCZPDFQX-HBNTYKKESA-N 303.399 2.346 10 10 DECE OCc1ccc(N(CC(F)F)C2COC2)cc1Br 2075876847 OPTKDCUQLHPWLN-UHFFFAOYSA-N 322.149 2.412 10 10 DECE CN(C)c1ccc(CNC(=O)/C(Cl)=C(/Cl)C(=O)O)cc1 2203890046 PHBQUJVULPFEPB-KHPPLWFESA-N 317.172 2.143 10 10 DECE OCc1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]3C2)cc1Br 2217845920 WSSFKCVJMOYSQZ-JKOKRWQUSA-N 312.207 2.149 10 10 DECE CC(C)(C)OC(=O)N(C[C@H](N)c1ccccc1O)[C@@H]1CCOC1 2244930626 XLVFETOOAMWZSF-OCCSQVGLSA-N 322.405 2.418 10 10 DECE CSc1ncc(CNc2c(C(N)=S)c(C)nn2C)s1 2269217465 DFHYTCVYJSUTNF-UHFFFAOYSA-N 313.477 2.153 10 10 DECE Cc1ccc(CN2CC[C@]3(CCN3)C2)c(O)c1Br 2327630266 IWDYCSOKVOLHJU-CQSZACIVSA-N 311.223 2.401 10 10 DECE COc1cccc(C=C2C(=O)OC3(CCCC3)OC2=O)c1O 59365047 VKYWGWUKLCPZAZ-UHFFFAOYSA-N 304.298 2.155 10 10 DECE COC(=O)CN(Cc1cncnc1)Cc1cc(Cl)ccc1O 123214847 LELHHEVCPAZKES-UHFFFAOYSA-N 321.764 2.011 10 10 DECE Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(O)cc1O 36960854 FPEGMQMVUUUNOM-UHFFFAOYSA-N 307.371 2.422 10 10 DECE Nc1ccc(CC[S@@](=O)c2ccc3c(c2)OCCO3)cc1 124114244 DEZXYVAZILGMCH-NRFANRHFSA-N 303.383 2.390 10 10 DECE Oc1ccc(Cl)cc1CN1CCN(Cc2ccon2)CC1 93560963 LXNJEQMIURHDCU-UHFFFAOYSA-N 307.781 2.351 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CCCO[C@H](C)C3)c(Cl)cc21 92751761 OPDXMIVBGVHWFH-OTYXRUKQSA-N 309.797 2.168 10 10 DECE C[C@H](O)CCN(C)c1ccc(CN)c(Br)c1F 231840712 HDKHXTPDTBEDLR-QMMMGPOBSA-N 305.191 2.254 10 10 DECE C[C@H](O)CN1CCN(Cc2c(O)ccc3ccccc23)C[C@H]1C 245692237 BQRXZKMFJYKTQW-CABCVRRESA-N 314.429 2.432 10 10 DECE Cc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)c(O)c1O 271299861 SCIUBYGNEMMRAS-UHFFFAOYSA-N 301.346 2.149 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 808496639 YXUYWTGQCVVSPJ-LBPRGKRZSA-N 306.358 2.453 10 10 DECE Cc1cc(COCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)on1 800943130 SPAQDSMEXWEDKW-ZDUSSCGKSA-N 317.389 2.443 10 10 DECE CN(C)c1ccc(/C=C\CNCC2(CS(C)(=O)=O)CC2)cc1 835043242 OEWDNDHPUKYTOT-PLNGDYQASA-N 322.474 2.180 10 10 DECE CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCCCNC2=O)cc1 835029392 XKVWESYRRSTUDM-DKRLNXSXSA-N 301.434 2.366 10 10 DECE CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2CC(N)=O)cc1 835028475 RKFCMELKTYDYEA-KEGWNNHHSA-N 301.434 2.496 10 10 DECE CCc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 840557228 ZTJJXTTXJAEUGO-LBPRGKRZSA-N 316.405 2.367 10 10 DECE CCOc1ccc(O)c(CN2CCOC[C@H]2c2ccnn2C)c1 846116268 RIJYZEHDYLZBCZ-INIZCTEOSA-N 317.389 2.098 10 10 DECE O=C1COc2cc([N+](=O)[O-])c(N3CCCC(F)(F)C3)cc2N1 845633979 QJBLMNSJBPSAQR-UHFFFAOYSA-N 313.260 2.161 10 10 DECE COc1ccc(N2CCCN(CCO[C@H]3CCOC3)CC2)cc1 929317225 WPNZRCFJURWEDS-SFHVURJKSA-N 320.433 2.013 10 10 DECE Cc1cccc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1O 857059073 ZNMVUPFUVPNXAK-MRXNPFEDSA-N 317.410 2.460 10 10 DECE COc1cccc(O)c1CNC[C@@H]1c2ccccc2C(=O)N1C 858283267 FLWAZMARFPXSAM-OAHLLOKOSA-N 312.369 2.317 10 10 DECE CC(C)(C)CCS(=O)(=O)NNc1nc2cccnc2s1 857225335 JXVACWLYQFSXFB-UHFFFAOYSA-N 314.436 2.374 10 10 DECE COC[C@@H](CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC 852261298 PCPIIULHPGFXNS-CZUORRHYSA-N 323.437 2.164 10 10 DECE C[C@H](O)[C@@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1 865737898 HEBCRDLPQHGPLQ-GUYCJALGSA-N 320.458 2.216 10 10 DECE CCOC(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 871199250 OVMPCIGGZQQSBD-UHFFFAOYSA-N 318.373 2.103 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)Nc2cn(C)nc2OC)c1 788985160 NXFATMLPGYYBTJ-VIFPVBQESA-N 305.334 2.094 10 10 DECE COC(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 895573701 RSQJFNGPIQIJCR-SECBINFHSA-N 321.354 2.090 10 10 DECE Cc1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c(O)c1O 780984378 LRYFYLVLGSTVHF-GXTWGEPZSA-N 307.390 2.467 10 10 DECE CC(C)(C)OC(=O)N1CCN=C(NCc2ccc(N)cc2)C1 1959282107 FAYKVXVUNKYSJI-UHFFFAOYSA-N 304.394 2.008 10 10 DECE COCc1cccc(CC(=O)NCc2c(O)cccc2O)c1 1156886197 VGZJTXOGVAPKRA-UHFFFAOYSA-N 301.342 2.103 10 10 DECE O=C(/C=C\c1ccnc(Cl)c1)NCc1ccc(O)cc1O 1162279287 YZJFAVLDFOMLKV-RJRFIUFISA-N 304.733 2.476 10 10 DECE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCCCCN=[N+]=[N-])C1 1963732274 LGSHHDLRBROSNK-LLVKDONJSA-N 323.397 2.450 10 10 DECE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(N)cccc1C(N)=O 389861446 DNERNBQJVPQSMH-GUYCJALGSA-N 324.428 2.300 10 10 DECE O=C(c1cccc(O)c1O)N1CCS[C@H](C(F)(F)F)C1 721448170 MTQFVWCHVNJYOL-VIFPVBQESA-N 307.293 2.218 10 10 DECE O=C(NCc1ccc2nonc2c1)NCc1c(O)cccc1F 1256209304 JIUOQSHIQQXQAT-UHFFFAOYSA-N 316.292 2.067 10 10 DECE O=C(CCN1C(=O)CSC1=S)Oc1cccc(Cl)c1 1865774477 KTYIKUWOENVRHK-UHFFFAOYSA-N 315.803 2.496 10 10 DECE Cc1cc(/C=C2/NC(=S)N(C)C2=O)ccc1N1CCCC1 463060 PCFIAEPLZXEPFK-JLHYYAGUSA-N 301.415 2.283 10 10 DECE Nc1c(C(=O)NCc2cccc(O)c2O)ccc(Cl)c1F 1558162251 XGYUVDROQQMZQG-UHFFFAOYSA-N 310.712 2.403 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccnc(OC2CCC2)c1 1635848066 YMVDPCIIWZFJCQ-UHFFFAOYSA-N 314.341 2.354 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)C[C@@H]2CCCO2)cc1C 1731580092 MABUSZAOOQSNLN-ZBFHGGJFSA-N 320.433 2.167 10 10 DECE CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1c(O)cccc1O 1597569016 MJWGRPZAXPSNTG-UHFFFAOYSA-N 324.377 2.017 10 10 DECE CC(C)CNCc1ccc(N2CCOC[C@H]2CO)c(Cl)c1 168328548 AVBGIDSZLPMUQR-CQSZACIVSA-N 312.841 2.283 10 10 DECE CCN(C)c1ccc([C@H](C)NCC2CCN(CCO)CC2)cc1 151805837 DYQSHVICYXTTTR-INIZCTEOSA-N 319.493 2.498 10 10 DECE C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)O1 159736596 SIFJMSTVDGWJOZ-KMFMINBZSA-N 319.401 2.467 10 10 DECE COCCN(CCOC)/N=N/c1ccc(N2CCOCC2)cc1 1860487539 CLMPJDQHALORBI-ISLYRVAYSA-N 322.409 2.117 10 10 DECE CCOC(=O)N1CCN(/N=N/c2ccc(NC(C)=O)cc2)CC1 1860488077 BWQLBQFYRHPRTC-ISLYRVAYSA-N 319.365 2.418 10 10 DECE CN(C)c1ccc2c(=O)c(C(=O)Nc3ccc(N)cc3)c[nH]c2c1 1866421767 JVVXOVZCKBIJJX-UHFFFAOYSA-N 322.368 2.429 10 10 DECE CN(C)c1ccc2c(=O)cc(C(=O)Nc3ccc(N)cc3)[nH]c2c1 1866502217 FERJUKMJHISVNO-UHFFFAOYSA-N 322.368 2.429 10 10 DECE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1904867717 ITQWHAWRHKLRNN-GJZGRUSLSA-N 323.437 2.292 10 10 DECE C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 235506468 FYXQBLKKQGHIDL-JTQLQIEISA-N 308.378 2.368 10 10 DECE CN(Cc1cc(N)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1977888066 LUTDFGAFSHBEGF-CQSZACIVSA-N 321.421 2.416 10 10 DECE Oc1cc(Br)ccc1CN1CCC2(CC1)CNC2 2028440546 MEFOMJQQWZPVJS-UHFFFAOYSA-N 311.223 2.340 10 10 DECE OCc1ccc(N2CC[C@H](O)C3(CC3)C2)cc1Br 2032261534 FHURFYKWOAFWBU-ZDUSSCGKSA-N 312.207 2.293 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1c(Br)cnn1C 710348822 IKTGYUOFYHCQSX-UHFFFAOYSA-N 323.194 2.037 10 10 DECE COC(=O)[C@H](NCc1ccc(Br)cc1O)C(C)C 691421716 JNDSRXQHRMSBTJ-GFCCVEGCSA-N 316.195 2.442 10 10 DECE C[C@H]1CN(c2ccc(CO)c(C(F)(F)F)c2)CC[S@]1=O 2171960403 QUWLSYYLSBPFIK-GWNMQOMSSA-N 307.337 2.155 10 10 DECE Cc1cc(N)c(Cl)cc1N1C(=O)[C@@H]2[C@@H](CC2(F)F)C1=O 2174467204 HSPSWVOIWUFLGF-LDWIPMOCSA-N 300.692 2.375 10 10 DECE CCS(=O)(=O)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2O)C1 2179904490 HFMFJBHVPZVYNE-CMPLNLGQSA-N 301.383 2.101 10 10 DECE CN(c1ccc(CO)c(Br)c1)[C@H](CCO)C(F)F 2058236593 IDLINRHNLZHBIN-LLVKDONJSA-N 324.165 2.394 10 10 DECE CN(C)c1ccc([C@@](C)(N)c2cc(Br)nn2C)cc1 2098436624 AYMIVHPTOLKRQQ-CQSZACIVSA-N 323.238 2.471 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CCNC23CCCC3)s1 2284500914 RVBQNOJXRMRZIW-LLVKDONJSA-N 311.476 2.404 10 10 DECE O=[N+]([O-])c1cnc(-c2ccc(C3=S=CC=C3)s2)nc1O 2286753759 SXWWPASWHFILIQ-UHFFFAOYSA-N 305.340 2.445 10 10 DECE CCN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)SC1=S 2297577659 MGYAGFMFMSUICX-UHFFFAOYSA-N 324.427 2.337 10 10 DECE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)cc(C)c1O 8227546 UBDKNCFVKSPNAP-ZDUSSCGKSA-N 304.346 2.200 10 10 DECE Cc1ccc(CN(C)CCN(C)C)c(O)c1Br 2307447696 VMZGVCHYRKATLI-UHFFFAOYSA-N 301.228 2.457 10 10 DECE CN(C)c1ccc([C@@H]2NC(=S)NC3=C2N2CCC3CC2)cc1 4168115 GCLQTGMIGNQTLG-AWEZNQCLSA-N 314.458 2.209 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cscc1Br 304548580 JSVQONJHJUKPQX-MRVPVSSYSA-N 318.200 2.327 10 10 DECE CO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 1845185 PDHSAQOQVUXZGQ-JKSUJKDBSA-N 304.298 2.200 10 10 DECE biogenic,in-man O[C@H]1CCN(c2ccc(CNC3CC3)cc2Br)C1 236562263 OOXFPMGSQANZSS-LBPRGKRZSA-N 311.223 2.272 10 10 DECE COCc1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1 49505141 IHCNLAQFJASQDY-UHFFFAOYSA-N 306.387 2.357 10 10 DECE CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@H]1CC 180087787 JKVCHJKITZOMFB-MRXNPFEDSA-N 322.449 2.334 10 10 DECE CO[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C 249194778 PWXJHWQDLFODJE-CRAIPNDOSA-N 304.434 2.380 10 10 DECE CCN(CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(OC)cc1 371385985 VAZFIZVBKDFRRN-KRWDZBQOSA-N 318.417 2.159 10 10 DECE O=S1(=O)CCC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1 293782884 BWTNXSKLYBPOJP-VIFPVBQESA-N 321.801 2.099 10 10 DECE C[C@H]1CCN(CC(=O)NCc2c(O)ccc3c2CCCC3)C1 816938994 PVIMVIMNYKMBNN-ZDUSSCGKSA-N 302.418 2.229 10 10 DECE C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCO1 906155301 FFZUQUUHZOWAPP-JOAKQRRISA-N 306.318 2.308 10 10 DECE CCn1nccc1/C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 588432694 LAOJZYCPQYISEX-SMYYYNMVSA-N 315.373 2.075 10 10 DECE CC(C)(C)CC(=O)N1CCN(C(=O)c2cc(O)cs2)CC1 732268819 OCURENJIEGWPJJ-UHFFFAOYSA-N 310.419 2.174 10 10 DECE Cc1cc(CC(=O)NN2CCCC2=O)c(C)n1-c1ccccc1 831853556 CSVYIJONSHBEEM-UHFFFAOYSA-N 311.385 2.290 10 10 DECE CCc1ncc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)o1 836634131 QKFVJCWGLARFLG-UHFFFAOYSA-N 320.368 2.442 10 10 DECE CN(C)c1ccc(/C=C\CNC[C@H]2CC(=O)N(C3CC3)C2)cc1 846074393 XADINKWJEPSCAR-MJSXRHKHSA-N 313.445 2.366 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CNCC[C@H]2C)cc1 841716629 CDSICORMEVLGDL-RHSMWYFYSA-N 318.465 2.330 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@H]1C 925322762 BNYDRIGXNFVEQR-ZFWWWQNUSA-N 305.422 2.406 10 10 DECE CN(C)c1cc(F)c(CN[C@@H]2CCC[C@@H](C(N)=O)C2)cc1F 858141745 SAKGITRJBREOMC-ZYHUDNBSSA-N 311.376 2.165 10 10 DECE Cc1cc(O)c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)c1 850369460 KOAWVURQXOYDKW-WDEREUQCSA-N 317.838 2.409 10 10 DECE CN(C)c1ccc([C@@H](N)CNC(=O)C2CC3(C2)CC3(F)F)cc1 852790770 BEYPMLSSMRSLMN-UGWHAMFMSA-N 323.387 2.304 10 10 DECE Cc1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c(O)c1O 856481920 DLMQGWNXVHSELO-PSLIRLAXSA-N 315.316 2.291 10 10 DECE Cc1ccc(O)c(CNC(=O)/C=C/COC2CCOCC2)c1 869410495 KWDPGFBQZOTXDQ-NSCUHMNNSA-N 305.374 2.069 10 10 DECE COc1cc(Cl)cc(CN2CCCC[C@H]2CC(N)=O)c1O 761195824 PHMSSSSIDCMXKW-LBPRGKRZSA-N 312.797 2.284 10 10 DECE C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cncnc1 863862470 UMORVTGBXDBSTD-LLVKDONJSA-N 302.353 2.102 10 10 DECE COc1cccc(CNC(=O)c2cccc3c2COCC3)c1O 1118749797 YNEQYHWATQWQKK-UHFFFAOYSA-N 313.353 2.404 10 10 DECE C[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)O)c1ccc(N(C)C)cc1 872857410 DLRSYUNNNPICOW-NILFDRSVSA-N 304.390 2.431 10 10 DECE CCOC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 777550596 GITXBCGQLQSLPV-AWEZNQCLSA-N 303.406 2.287 10 10 DECE CN1CCN(c2ccc(CN3C[C@H]4CSC[C@H]4C3)cc2)CC1 895779148 LPUZNPVSKPVGLO-CALCHBBNSA-N 317.502 2.233 10 10 DECE O=C1N(CCNCc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 895343420 RGSYEUDCTOMTRW-INIZCTEOSA-N 315.417 2.001 10 10 DECE Cc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c(O)c1O 799039194 AXGJXRVWOHHIPX-UHFFFAOYSA-N 312.325 2.395 10 10 DECE O=C(c1cc(O)cs1)N1CCO[C@@H](COc2ccccc2)C1 792509785 PHAABNYJTJSWER-CQSZACIVSA-N 319.382 2.374 10 10 DECE CCc1nc(C2CCN(C(=O)c3cc(O)cs3)CC2)n[nH]1 792514934 IDDXFGXROHRTJO-UHFFFAOYSA-N 306.391 2.154 10 10 DECE O=C(O)[C@H](Cc1ccco1)NCc1ccc2c(c1)CCCO2 1333891283 IAVUODQPSKEEGL-HNNXBMFYSA-N 301.342 2.390 10 10 DECE CC(C)(C)[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1153373484 GUIAZXLNNTVRIM-IUODEOHRSA-N 307.390 2.350 10 10 DECE CN(Cc1cc(N)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 1959521450 YCUKEMJOYWAPNL-UHFFFAOYSA-N 307.394 2.026 10 10 DECE Cc1cc(C(=O)NCc2cn(C)cn2)c(C)n1-c1ccccn1 1305125164 KOBUFPDLCGVFQO-UHFFFAOYSA-N 309.373 2.153 10 10 DECE CN[C@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1Cl 94298834 GKIIHKFKVKFPRR-SNVBAGLBSA-N 304.843 2.101 10 10 DECE COc1cccc(CNC(=O)Cc2cnccc2Cl)c1O 1445970881 RAZKXVLXZQBHBH-UHFFFAOYSA-N 306.749 2.308 10 10 DECE Cn1c(Br)nnc1CN[C@@H]1CCc2cccc(O)c21 2121514357 OTIGDFSVNVANNQ-SECBINFHSA-N 323.194 2.060 10 10 DECE CCc1cnccc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1546189400 FGXGFCWQATWMFJ-LLVKDONJSA-N 300.358 2.475 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC23CC3)cc1C 1715948868 OPTYBEWBKAKDCY-UKRRQHHQSA-N 302.418 2.398 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2ccncc2)cc1C 1483105543 YYSGXBUNMKVCEN-CQSZACIVSA-N 313.401 2.307 10 10 DECE CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(N=NC(N)=O)cc1 1635054848 RCSBMZNYHVCPRV-HNNXBMFYSA-N 320.349 2.311 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1c(F)cccc1[N+](=O)[O-] 1566369993 HRKGVCUFFYWEMC-UHFFFAOYSA-N 320.276 2.118 10 10 DECE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc(Br)cc1 1912164097 SABAWWJVNNLOAO-UHFFFAOYSA-N 319.184 2.380 10 10 DECE CC(=O)N[C@@H](c1ccc(N(C)C)cc1)n1nnc2ccccc21 5631858 SWMZZOFNEDKZEZ-QGZVFWFLSA-N 309.373 2.180 10 10 DECE COc1cc(CNCC(=O)O)ccc1N1C[C@@H](C)C[C@@H](C)C1 212645986 POFSQDRAAIMHJZ-BETUJISGSA-N 306.406 2.352 10 10 DECE CC[C@H](N)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O 1915378236 MTUADTJGNVCYDG-AWEZNQCLSA-N 314.385 2.478 10 10 DECE COc1cccc(CN[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1O 227562878 NBEUUXCWWBQXKN-RYUDHWBXSA-N 308.378 2.156 10 10 DECE O=C(O)[C@@H]1CCN[C@@H](c2cccc(Br)c2O)C1 1952535238 CJUKQDLWTUEKHU-GMSGAONNSA-N 300.152 2.280 10 10 DECE [N-]=[N+]=N[C@@H](CO)c1c(Br)n[nH]c1Br 1952731780 NNIMDFDPBNOYKL-REOHCLBHSA-N 310.937 2.278 10 10 DECE COc1cc(N(CCC(N)=O)Cc2ccccc2)ccc1CO 1994421844 GXLMLYYEGYKFQU-UHFFFAOYSA-N 314.385 2.070 10 10 DECE O=C(O)C[C@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2160865810 VLWUKBFXGRFJNZ-CYBMUJFWSA-N 320.172 2.111 10 10 DECE C[C@@]1(C(F)(F)F)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2161743319 BHRPMWSBRDGRPE-WDEREUQCSA-N 308.325 2.029 10 10 DECE O=C(O)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 706627617 UYVJQJNBXNIJIP-SECBINFHSA-N 314.179 2.451 10 10 DECE C[C@@H]1[C@H](N)CCN1Cc1cc(Br)cc(F)c1O 715766573 WFQIMHUFXDTXPW-RDDDGLTNSA-N 303.175 2.215 10 10 DECE CN1CCN(c2ccc(CN)cc2Br)[C@H]2CC[C@@H]21 2049374564 HJZSNJNLYFLEDY-KBPBESRZSA-N 310.239 2.191 10 10 DECE CN(c1ccc(CN)cc1Br)[C@H]1CCOC[C@@H]1F 2066652751 ODGYWMSQRQTKMZ-AAEUAGOBSA-N 317.202 2.471 10 10 DECE CC(C)[C@@](C)(CN)NCc1cc(Br)c(O)cc1O 2256017473 RPLOFFDGSMLELP-CYBMUJFWSA-N 317.227 2.323 10 10 DECE CSc1ncc(CN[C@@H]2C[C@@H]3C[C@H]2CC32OCCO2)s1 2298467796 KEANWEZPUZAIEV-JBLDHEPKSA-N 312.460 2.496 10 10 DECE Cc1noc([C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C(C)C)n1 2308001202 JCZZRONKMLAKQX-HNNXBMFYSA-N 317.345 2.316 10 10 DECE CCCC1=NN(C)C(=O)C1=Cc1cc(OC)c(O)c(OC)c1 2332144856 TXKJHENBMVVRQL-UHFFFAOYSA-N 304.346 2.421 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCC(OC)CC3)c(Cl)cc21 118705317 OATDYPLQPUUECE-CQSZACIVSA-N 309.797 2.168 10 10 DECE CCN(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 66987402 DHOSQMIOJURLET-UHFFFAOYSA-N 304.438 2.038 10 10 DECE CCCN(CCO)C(=O)c1c(C)oc(-n2cccc2)c1C#N 302957122 ADCBWYCXAUJIHO-UHFFFAOYSA-N 301.346 2.095 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CC[C@H](C)O 304979699 GWTBEUSTVZBBGW-NSHDSACASA-N 301.346 2.093 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N2CCNC(=O)CC2)cc1 65901665 QUSRGRVPUMNSRI-UHFFFAOYSA-N 311.385 2.056 10 10 DECE COC(=O)c1coc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 186406541 MJGHYFRJVGJVHV-UHFFFAOYSA-N 316.357 2.404 10 10 DECE C[C@H]1CCC[C@H](CS(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])O1 2364245027 RJCCWOKTKVLDFP-SDDRHHMPSA-N 302.400 2.049 10 10 DECE C[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(N(C)C)cc1 130039847 HIKUVJSVVSQWKH-KBXCAEBGSA-N 315.465 2.440 10 10 DECE Oc1cc2c(cc1CNC1CCN(C3CCC3)CC1)OCO2 263647541 CCRCKXZEJTZFFZ-UHFFFAOYSA-N 304.390 2.227 10 10 DECE CC[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(=O)OC 277188955 CZNKWVXAOLRCLK-ZDUSSCGKSA-N 324.396 2.487 10 10 DECE Cc1nocc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 293728063 YYYRAPWPWPEKIY-UHFFFAOYSA-N 319.380 2.373 10 10 DECE CN(CC[S@@](C)=O)c1ccc(/C=C\C(=O)O)cc1Cl 398880077 UJHUGQSTADOKCK-GJEJWFRCSA-N 301.795 2.253 10 10 DECE COc1ccc(N2CC[C@H](CNC[C@@H](O)C(F)(F)F)C2)cc1 819380629 QYGCNXQGLOTDKJ-BXUZGUMPSA-N 318.339 2.034 10 10 DECE O=C(Cc1ccc(O)nc1)NCc1ccc(N2CCCC2)cc1 821841719 DWKMTTOLCPNNAG-UHFFFAOYSA-N 311.385 2.246 10 10 DECE CN(C(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccc(F)c(F)c1 662530469 ATKKSQNZOSHIIM-SECBINFHSA-N 306.316 2.041 10 10 DECE C[C@@]12CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 840114659 HSACNEDFKUXTGA-VEHNABEHSA-N 313.397 2.462 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)c1cnccc1N(C)C 759865691 GBXOBIGTNLGYAZ-UHFFFAOYSA-N 312.417 2.452 10 10 DECE C[C@@H](NCCC1CCS(=O)(=O)CC1)c1cc(F)ccc1O 756777990 ANGRFUXMGBDEML-LLVKDONJSA-N 315.410 2.397 10 10 DECE COC[C@@](C)(CC(=O)OC)NCc1cc(Cl)cc(C)c1O 757926014 IYJXDFBMPODNAR-OAHLLOKOSA-N 315.797 2.412 10 10 DECE COc1ccc(-n2c(C)cc(C(=O)NCC3COC3)c2C)cc1 863352740 RBZPEAYKMDLBBL-UHFFFAOYSA-N 314.385 2.479 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@H]1CCSC1 865314078 MLVFQFCEQGRIHK-LBPRGKRZSA-N 320.414 2.300 10 10 DECE CN(Cc1cc2c(cc1O)OC[C@H]2O)C1Cc2ccccc2C1 768441706 GIQGAIJFDOTMKM-GOSISDBHSA-N 311.381 2.417 10 10 DECE COC[C@H](C)n1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 930991847 HQEHVELFHLGKRD-NSHDSACASA-N 316.361 2.344 10 10 DECE C[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)c1ccccc1O 867834072 DSVJUDIGCXOJTG-LLVKDONJSA-N 321.402 2.038 10 10 DECE COc1ccnc(OC)c1C(=O)NCc1ccc(N(C)C)cc1 864572864 AVJQLIUHQDQHJO-UHFFFAOYSA-N 315.373 2.095 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O 775097978 MZYHPYDOKTVONP-DCAQKATOSA-N 310.350 2.307 10 10 DECE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 771219597 JVRAISVLEOKQIQ-UHFFFAOYSA-N 321.354 2.288 10 10 DECE C[C@H]1CO[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 897747591 KCUIUUOXFRNVEE-PRHODGIISA-N 314.179 2.196 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)cc(S(C)(=O)=O)c1 1152838896 MFOZNGJFLWCMQL-UHFFFAOYSA-N 321.354 2.062 10 10 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10 10 DECE CP1(=O)CCN(CCNCc2ccc(Cl)cc2O)CC1 2199614795 DRQGSNZYMWECFA-UHFFFAOYSA-N 316.769 2.444 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CCCC[C@@H]1O 2101536991 QHMMBTPSABUNEY-RYUDHWBXSA-N 305.783 2.091 10 10 DECE Cc1cc(O)nc(CNCc2cc(Br)ccc2O)n1 2106915516 BRGJKPKICBRDHM-UHFFFAOYSA-N 324.178 2.249 10 10 DECE CO[C@H]1CN(C)C[C@H]1NCc1cc(Cl)cc(Cl)c1O 2095435306 QGPGPXHYLFYNSX-NEPJUHHUSA-N 305.205 2.118 10 10 DECE C[C@H]1CN(CCNCc2cc(Cl)cc(Cl)c2O)C(=O)N1 2239296658 MKEZEZZRRJOHCK-QMMMGPOBSA-N 318.204 2.202 10 10 DECE CSc1ccccc1C(=O)N1[C@H]2CSC[C@H]1CC(O)C2 2285754997 ZYWVRZBZBHABMX-GHMZBOCLSA-N 309.456 2.489 10 10 DECE CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 2297617147 RCVDCOHRHGCKKR-UHFFFAOYSA-N 317.341 2.093 10 10 DECE CC(C)CCN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2307996755 QWVZCQPUJAPZJQ-UHFFFAOYSA-N 318.417 2.301 10 10 DECE C[C@H](CN1CCCCCC1)NC(=O)C=Cc1ccc(O)c(O)c1 2309900829 BIICTUKBRBZBRG-CQSZACIVSA-N 318.417 2.492 10 10 DECE Cc1ccc(CN2CC[C@H](O)[C@H]2C)c(O)c1Br 2307438108 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CN(C)c1ccc2c(c1)OCCN2Cc1cnn(CCF)c1 930127027 MXCJITNZGUKVJH-UHFFFAOYSA-N 304.369 2.318 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1COC(C)(C)O1 1135689905 NZRYZJZIFYDATN-SNGWPZLWSA-N 318.417 2.419 10 10 DECE COc1ccc(CNCCN(C)C(=O)[C@H]2CC23CC3)cc1C 1481284538 YLUHUVZWOWJRMP-OAHLLOKOSA-N 302.418 2.352 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOc2ccc(F)cc21 1556208896 XSETVVMUOSJNKB-CYBMUJFWSA-N 317.316 2.419 10 10 DECE O=C(NCc1c(O)ccc2ccccc12)c1cc2n(n1)CCCO2 1558554188 MAMMWKOBYOHWPW-UHFFFAOYSA-N 323.352 2.454 10 10 DECE COC(=O)c1ccc(/C=C/C(=O)NCc2cc(C)ccc2O)o1 1584988442 HWBJRZAVSKUXKH-VMPITWQZSA-N 315.325 2.410 10 10 DECE Cc1nn(CC(=O)N[C@H](C)c2ccccc2O)c2ncccc12 1587447044 HYJDQUCRKHVHBL-LLVKDONJSA-N 310.357 2.323 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c[nH]nc3c2)c1 1636066272 DPMBPPCKFJEAPL-VIFPVBQESA-N 312.329 2.163 10 10 DECE O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1cc(O)ccc1O 1643882190 PVOBBVUMCXEMOI-HNNXBMFYSA-N 321.760 2.491 10 10 DECE CNC(=O)[C@@H](C)N(C)Cc1cc(Br)cc(C)c1O 1916789745 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300.306 2.480 10 10 DECE CSc1ncc(CN=c2[nH]c(C)nc(Cl)c2C=O)s1 2269278253 MQKSZOSZYLPTIS-UHFFFAOYSA-N 314.823 2.463 10 10 DECE CN(C)c1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1 2297307955 UKGZFYRVZKIRSP-UHFFFAOYSA-N 317.414 2.055 10 10 DECE O=C(C=Cc1ccc(N2CCOCC2)cc1)OCC(=O)C1CC1 2297514590 MDCASYYWTIWVLG-UHFFFAOYSA-N 315.369 2.059 10 10 DECE CCCCNC(=O)Cc1noc(C=Cc2ccc(O)c(O)c2)n1 2308908002 WEEZKCHTYODXTA-UHFFFAOYSA-N 317.345 2.110 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCc1ccccn1 170039702 RWRPGOTZOVZFQC-LBPRGKRZSA-N 300.358 2.030 10 10 DECE Cc1nc2ccccc2n1CC(=O)NCCc1ccc(N)cc1 179043144 HFZZGOQIWPTNEY-UHFFFAOYSA-N 308.385 2.286 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2358086646 SJCIDODINQAKET-PKFCDNJMSA-N 315.822 2.226 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C#N 183486862 MMNBBWMIAPCQNO-SECBINFHSA-N 302.355 2.392 10 10 DECE CC[C@H]1CC[C@H](C)N1S(=O)(=O)CCOc1ccc(N)cc1 135940428 WLZICRRAZBMJTA-JSGCOSHPSA-N 312.435 2.240 10 10 DECE CNCc1ccc(N2CCN(C)[C@@H](C)C2)cc1Br 234448378 UGWLOOGEHXHACK-NSHDSACASA-N 312.255 2.309 10 10 DECE CCOCCN1CCN(Cc2cccc(OCC)c2O)C[C@H]1C 245764178 QKQASLOIRUIZTG-OAHLLOKOSA-N 322.449 2.334 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3CCCOCC3)CC2)cc1 365797468 SEJGFZFCKLYVFM-HNNXBMFYSA-N 318.417 2.161 10 10 DECE CC(=O)C(=O)COC(=O)Cc1ccc(C)c(Br)c1 808540138 NZCXINOANHKJPO-UHFFFAOYSA-N 313.147 2.001 10 10 DECE C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 804975746 SCLKDPQWLMGDQQ-CJNGLKHVSA-N 303.406 2.121 10 10 DECE COc1ccccc1NC[C@@H](O)CN(C)C(=O)OC(C)(C)C 819394216 SUTFWVGBDINSPS-GFCCVEGCSA-N 310.394 2.335 10 10 DECE CCS(=O)(=O)C1(CNCc2cc(Cl)cc(C)c2O)CC1 827580712 VMZJIWUCENMASV-UHFFFAOYSA-N 317.838 2.411 10 10 DECE COc1cccc(CNC(=O)Nc2ccc3nccn3c2)c1O 738951606 ZAYCDAHEFYILLK-UHFFFAOYSA-N 312.329 2.370 10 10 DECE CCOc1ccc(CN2CCC(Cn3cnnc3)CC2)c(O)c1 846055131 GMMSUTGDPADUQM-UHFFFAOYSA-N 316.405 2.295 10 10 DECE COc1ccc(O)c(CNS(=O)(=O)CCCC(C)(F)F)c1 914161835 HINVQBSJHOAJNV-UHFFFAOYSA-N 323.361 2.256 10 10 DECE C[C@@H]1CCn2ncc(C(=O)NCc3c(O)cccc3F)c2C1 928705858 LYSJTGXGPSBQKB-SNVBAGLBSA-N 303.337 2.240 10 10 DECE C/C=C/C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 861545802 BRAPXVXQKOJQSU-YWVDXFKGSA-N 301.390 2.412 10 10 DECE CN1Cc2ccccc2[C@H]1CNC(=O)NCc1ccccc1O 869104129 AQWNPYQYWHZHCL-MRXNPFEDSA-N 311.385 2.378 10 10 DECE O=C(O)/C=C/c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 1118221669 HFFQAHKSVCUFMJ-BAXHPOPBSA-N 318.329 2.044 10 10 DECE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(C)(C)O 780504890 ZPLKLDOBWFSTPA-CQSZACIVSA-N 318.461 2.158 10 10 DECE COc1ccc(CNC(=O)c2c(O)cc(F)cc2F)c(O)c1 794373691 LGLJPLLJCHBYBP-UHFFFAOYSA-N 309.268 2.315 10 10 DECE c1ccc(COc2ccc(N3CCN[C@H]4COC[C@@H]43)cc2)cc1 1899852647 QEQHEHVTAVUOAO-OALUTQOASA-N 310.397 2.443 10 10 DECE CO[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1 1306661051 RPCWTTWGXJXBCV-CYBMUJFWSA-N 323.295 2.494 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCN=[N+]=[N-])CCCO1 1962306152 YKOTZCJXCXPEBF-GFCCVEGCSA-N 313.402 2.302 10 10 DECE COC[C@H](C)NCc1c(Br)ccc(OC)c1O 1964045370 NVNOBAVQKWOQGZ-QMMMGPOBSA-N 304.184 2.288 10 10 DECE O=C(O)[C@@]12C[C@@H]1CN(Cc1cc(Br)ccc1O)C2 703516321 FJHVZARTRONXAL-NOZJJQNGSA-N 312.163 2.061 10 10 DECE O=Cc1cc(F)c(C(=O)NCc2c(O)cccc2O)cc1F 1178916775 APDVWUSIDAWEDM-UHFFFAOYSA-N 307.252 2.119 10 10 DECE CC(C)N(CC(=O)O)Cc1c(O)cccc1Br 706627628 VQWQDGUWDHFVFK-UHFFFAOYSA-N 302.168 2.450 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Cl 688547780 XVPOPNGRZPYQDU-NXEZZACHSA-N 304.843 2.229 10 10 DECE O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1cc(O)cs1 1180577217 GQFCGHKZMLNQOZ-VIFPVBQESA-N 311.309 2.465 10 10 DECE CC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)COC1 1335877453 GVDKFOOGPRVZTQ-UHFFFAOYSA-N 320.458 2.283 10 10 DECE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC(C)(C)C1 1348650576 GUAQNVHWSDWYAY-CYBMUJFWSA-N 316.401 2.272 10 10 DECE CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1O 1466680734 UBHRJAIJZSJRPQ-OAHLLOKOSA-N 313.353 2.336 10 10 DECE CCOc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 1472061314 MSLNULHRGYCKAD-UHFFFAOYSA-N 317.341 2.192 10 10 DECE CO[C@]1(C)C[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1(C)C 1628732870 WAYLWXGRKJTZHC-RHSMWYFYSA-N 307.390 2.302 10 10 DECE Cc1nc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1568716645 PJHLUQMSFXFEDS-LURJTMIESA-N 318.358 2.230 10 10 DECE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CS(=O)(=O)C1 1966029146 LWQNYTDPSYYVIN-SSDOTTSWSA-N 324.229 2.222 10 10 DECE COCCNCc1ccc(N2CCC[C@H](CO)C2)c(Cl)c1 163960629 FOEQGWOTGUQTBV-AWEZNQCLSA-N 312.841 2.285 10 10 DECE COCCNCc1ccc(N(C)[C@H](C)CCO)cc1Cl 1916980202 MGKAXCKRBMKGMV-GFCCVEGCSA-N 300.830 2.283 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1cccc([N+](=O)[O-])c1O 1952451674 ZGAMCXQQYWHSOD-CABZTGNLSA-N 323.349 2.310 10 10 DECE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 1953759174 WUPPNELRUBBORE-HZSPNIEDSA-N 301.350 2.296 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCN=[N+]=[N-] 1985100612 IDJWTHVRJFBFBH-YFKTTZPYSA-N 323.397 2.352 10 10 DECE C[C@@H](CCCN(C)[C@H](C)c1ccccc1O)S(=O)(=O)O 2155499073 WYQUJBHIAWMNLQ-NWDGAFQWSA-N 301.408 2.442 10 10 DECE CN(CCn1cccn1)c1ccc(CN)c(Br)c1 707630767 NIEINWMJSWFXRO-UHFFFAOYSA-N 309.211 2.241 10 10 DECE CNCc1ccc(N2CC[C@](C)(CO)C2)cc1Br 381391380 SBDGEGLPIRPEPL-AWEZNQCLSA-N 313.239 2.377 10 10 DECE CC[C@H](CO)N(C)c1ccc(CNC)c(Br)c1 383314187 NYFJFKWCKPGVCX-LLVKDONJSA-N 301.228 2.376 10 10 DECE Cc1nnc(CNCc2cc(Cl)cc(Cl)c2O)n1C 393182437 MTZGONLFIHCDHL-UHFFFAOYSA-N 301.177 2.426 10 10 DECE CCNC1CN(c2ccc(OC)c(Br)c2OC)C1 2044334840 NADSGXFCKJBVDL-UHFFFAOYSA-N 315.211 2.264 10 10 DECE C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Cl 2206704867 MJVYYIKDRFSDBD-ZETCQYMHSA-N 324.780 2.186 10 10 DECE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)Nc1ccc(O)c(N)c1 2236145628 ZURUUAKCEBAXQQ-IONNQARKSA-N 306.334 2.007 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)[C@H]1CNC2(CCC2)C1 2239359950 PZHBQELIJRHEKB-SNVBAGLBSA-N 316.810 2.072 10 10 DECE CSc1ncc(CNC[C@@H]2C[C@@H]3COCC[C@@H]3O2)s1 2269192799 HHADUVIFUJXPLC-SCVCMEIPSA-N 300.449 2.149 10 10 DECE O=C1OC(C2=S=CC=C2)=NC1=Cc1ccc([N+](=O)[O-])cc1 2294418163 FLUSQCUTNSNZDI-UHFFFAOYSA-N 300.295 2.169 10 10 DECE CN1C(=O)SC(=Cc2ccc(N3CCOCC3)cc2)C1=O 2297459849 GPJXNTUEOHJRGG-UHFFFAOYSA-N 304.371 2.189 10 10 DECE CN(C)CCN(C(=O)C=Cc1ccc(O)c(O)c1)C1CCCC1 2308001244 OFNDNWLTHAPGNM-UHFFFAOYSA-N 318.417 2.444 10 10 DECE Cc1nc(CNCc2ccc(C)c(Br)c2O)no1 2327797951 ALKHFFGJKYJDMU-UHFFFAOYSA-N 312.167 2.444 10 10 DECE CS(=O)(=O)[C@H]1CCC[C@@H](C(=O)CCc2ccc(N)cc2)C1 124608395 GOMANOKMCCLIRT-HIFRSBDPSA-N 309.431 2.374 10 10 DECE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN(Cc2ccccc2)[C@@H]1C 381097511 YPPFGXVRGDZXSK-CJNGLKHVSA-N 317.393 2.093 10 10 DECE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1cccc(O)c1O 322994906 SIIFJLRGJPRXFU-JTQLQIEISA-N 312.325 2.081 10 10 DECE COC(=O)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2O)n1 191606073 CHXKYVMHOHWDPF-UHFFFAOYSA-N 317.301 2.023 10 10 DECE CN1CCCc2cc(CNC(=O)N[C@@H]3CCOC3(C)C)ccc21 297692688 HAGXFWOPIPHEOJ-MRXNPFEDSA-N 317.433 2.436 10 10 DECE CN(c1ccc(N)cc1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)(F)F 2164652158 VJSZNVFPVUVWFQ-GZMMTYOYSA-N 308.325 2.233 10 10 DECE O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(O)c(O)c1 394664676 HKMNNLXUGRELPP-CABCVRRESA-N 314.341 2.343 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3CC34CC4)CC2)cc1F 817544852 QMUCMPRJAAFJEU-ZDUSSCGKSA-N 304.365 2.283 10 10 DECE COc1cccc([C@H](C)NCC2(C3(O)CCOCC3)CC2)c1O 903347353 QMUARGXWJCLSQR-ZDUSSCGKSA-N 321.417 2.373 10 10 DECE Nc1cccc(Br)c1N[C@H]1CCNCC1(F)F 2246405013 AGLJEOSULPPXFP-VIFPVBQESA-N 306.154 2.440 10 10 DECE CNC(=O)C1(NC/C=C/c2ccc(N(C)C)cc2)CCCC1 835046320 QNCPHZKRPXOBNB-VOTSOKGWSA-N 301.434 2.414 10 10 DECE COc1ccc(O)c(CNC(=O)NCc2ncc(C)cc2C)c1 918745714 RGNGHXLBXJCGGK-UHFFFAOYSA-N 315.373 2.412 10 10 DECE CC1(C)C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1 841855272 JQQYZAXJCQDGTB-AWEZNQCLSA-N 308.397 2.319 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(C)COC1 840295980 JCMVRQWGJFQSFD-CQSZACIVSA-N 319.449 2.328 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)NC(CF)CF)cc1 846716534 CJVRWQRRVSRNGJ-UHFFFAOYSA-N 315.364 2.080 10 10 DECE CN(C)c1ccc(CNC(=O)N2CC[C@]3(CCCNC3)C2)cc1 841651846 BKXFTGZFPMTJFF-SFHVURJKSA-N 316.449 2.038 10 10 DECE Cc1cc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(Cl)c1 840941463 AXSAVITXRYPEPJ-FIXISWKDSA-N 308.809 2.440 10 10 DECE O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(O)c1O 922620453 RXZOBAWZJCDUSX-XVKPBYJWSA-N 306.236 2.365 10 10 DECE CCC1(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)COC1 929251747 ZORZJTWZHOUULM-UHFFFAOYSA-N 318.417 2.161 10 10 DECE CN(C)c1ccc(CNCC2(C3(O)CCOCC3)CC2)cc1F 922597196 UEEYGEHKGCJYGK-UHFFFAOYSA-N 322.424 2.303 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NCC[C@@H](COC)OC 854291587 GECGMESZYMUEBP-HNNXBMFYSA-N 324.421 2.365 10 10 DECE COc1ccc(N2CCN(C(=O)C34CC(C3)C4)CC2)cc1F 859966020 MTSDJNKYHUUXGX-UHFFFAOYSA-N 304.365 2.283 10 10 DECE CN(C)c1ccncc1C(=O)NCc1cc(Cl)ccc1O 857548114 DNPJJYLQHTZUCD-UHFFFAOYSA-N 305.765 2.437 10 10 DECE CCOC(=O)CN1C(=O)/C(=C\c2ccn(C)c2)c2ccccc21 763285778 XJDKQDRLBWGSRO-GDNBJRDFSA-N 310.353 2.475 10 10 DECE COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@@H]2CCC[C@H]12 863334267 YQGNYIUYALXBGE-IJLUTSLNSA-N 309.387 2.258 10 10 DECE CCOC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)CCC1(F)F 870919259 YMIMHBSXOPPZLR-VIFPVBQESA-N 319.329 2.114 10 10 DECE COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)cc1 776744743 PDLVKVFVIDLCKI-UHFFFAOYSA-N 321.354 2.288 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CC)n(C)n1 1335275176 HURMAOZFMLWIFC-UHFFFAOYSA-N 308.378 2.104 10 10 DECE O=C(CSCc1cscn1)NCc1c(O)cccc1O 1156881343 ZMMIYHMEYKYNQR-UHFFFAOYSA-N 310.400 2.104 10 10 DECE COc1cc(N2CCC[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OC 1307074739 DTVXFJSDUYJFOI-OAHLLOKOSA-N 310.350 2.211 10 10 DECE COc1ccc(Br)c(CNC[C@@H](O)C2CC2)c1O 1964553301 OAMCCIMMLCZJHD-LLVKDONJSA-N 316.195 2.024 10 10 DECE C[C@H](NC[C@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 1262263035 DVURTYPNTNRTFT-WMLDXEAASA-N 306.450 2.459 10 10 DECE C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912172245 CUZANQYTWFTMIT-NWDGAFQWSA-N 301.416 2.128 10 10 DECE c1cc(N2CCOCC2)ccc1CNc1ccc2[nH]nnc2c1 157560297 ZJDYXIWVCCBTFS-UHFFFAOYSA-N 309.373 2.407 10 10 DECE CCN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 155373204 BRYIPGUIRBTBKY-UHFFFAOYSA-N 303.450 2.051 10 10 DECE CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(O)cc1O 227755377 KSISMRGWOYAVKM-SNAWJCMRSA-N 308.378 2.268 10 10 DECE CN1CCN(c2ccc(CN)c(Br)c2)CC1(C)C 228152752 PQGKYMWJBGEEPC-UHFFFAOYSA-N 312.255 2.438 10 10 DECE Oc1cc(Br)ccc1CNCc1nncs1 1938063930 KQTQLKWREAIMKK-UHFFFAOYSA-N 300.181 2.296 10 10 DECE CC(C)(C)OC(=O)N[C@@H](C=CCN)Cc1ccc(O)c(O)c1 1951539042 HGTLPFJSXLRIPO-LBPRGKRZSA-N 308.378 2.049 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1cc(O)ccc1O 1952591589 ZAJHTAYDIKSJMD-TZMCWYRMSA-N 308.378 2.497 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2C(=O)O)C1 1978871655 XUGDMHFNKGGDJI-JTQLQIEISA-N 321.377 2.388 10 10 DECE CNCc1ccc(N(C)CC(F)(F)CO)cc1Br 2033571122 DDJCJPBASUIWDX-UHFFFAOYSA-N 323.181 2.232 10 10 DECE O=C(C=Cc1cccnc1)NCc1ccc(N2CCOCC2)cc1 2041166331 VDDSEIYMQYMJEM-UHFFFAOYSA-N 323.396 2.248 10 10 DECE CN(c1ccc(CNC(C)(C)C)c(Cl)c1)C(CO)CO 313331948 LJEDEVXFMDMUKV-UHFFFAOYSA-N 300.830 2.018 10 10 DECE OCc1ccc(N2CC[C@H](N3CCC3)C2)c(Br)c1 702305454 ADVVWDCKGZBNJW-LBPRGKRZSA-N 311.223 2.226 10 10 DECE CN[C@H](C)c1ccc(N(C)CC(C)(CO)CO)c(Cl)c1 708397570 HEPXCNNCRYXZLP-LLVKDONJSA-N 300.830 2.048 10 10 DECE C[C@H](O)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl 688603889 XRBSLSPDHYGJEE-UWVGGRQHSA-N 305.827 2.263 10 10 DECE C[C@H]1CN(C)C[C@@H]1NCc1cc(Br)cc(F)c1O 722253170 LFNHUTWIYREONO-UFBFGSQYSA-N 317.202 2.334 10 10 DECE C[C@@]1(CO)CCCN1c1cc(Br)c(CN)cc1F 722969306 VBGXNQJPQUNSAV-ZDUSSCGKSA-N 317.202 2.398 10 10 DECE C[C@@H](C[S@](C)=O)N(C)c1ccc(CN)c(Br)c1 399229948 GIJJTEGVWXHMAN-XYZCENFISA-N 319.268 2.111 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC(F)(F)CC[C@@H]3C)c2n1 2065053538 ASDGGAFQADRMSO-VIFPVBQESA-N 310.304 2.003 10 10 DECE O=C(Cc1nc(C2CC2)cs1)NCc1cccc(O)c1O 1643812936 RZIWUUSXHWYZDL-UHFFFAOYSA-N 304.371 2.291 10 10 DECE CN1C[C@H]2C[C@H]1CN(c1ccc(CO)cc1Br)C2 2042530437 ICBMIBDHDTZKEL-NEPJUHHUSA-N 311.223 2.082 10 10 DECE Oc1ccc(Br)cc1CNCCc1ncccn1 2044808522 WTDQCMVBGODWKT-UHFFFAOYSA-N 308.179 2.277 10 10 DECE COC[C@@H]1C=CCN1c1ccc(CN)c(Br)c1F 2062036477 MTWPZHRRZAKMCJ-JTQLQIEISA-N 315.186 2.438 10 10 DECE OCc1ccc(N2CC[C@H](O)[C@@H]2C2CC2)cc1Br 2067007543 JUPBVIZPSPMQEK-KBPBESRZSA-N 312.207 2.291 10 10 DECE CCC(F)(F)CCS(=O)(=O)CCOc1ccc(N)cc1 2283695633 OIWNIDRKSLAQLT-UHFFFAOYSA-N 307.362 2.498 10 10 DECE COCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296665732 WVIMAPLUBAIUDB-UHFFFAOYSA-N 323.395 2.263 10 10 DECE CC=CC[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 2309534214 BEZMSGVGZKQYGT-MRXNPFEDSA-N 315.417 2.189 10 10 DECE Cc1ccc(CN[C@@H]2COC[C@H]2F)c(O)c1Br 2307472723 FPJDUUWLIDNIBE-NXEZZACHSA-N 304.159 2.290 10 10 DECE C[C@@]1(N)CN(Cc2ccc(Br)cc2O)CC1(F)F 2315158790 KATSCLSAJQBCRK-LLVKDONJSA-N 321.165 2.323 10 10 DECE C[C@@H](O)c1cnc(S[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319421124 RDGJCEZNURXKDB-VGMNWLOBSA-N 307.462 2.254 10 10 DECE Cc1ccc(CN2CCN(C)[C@@H]3C[C@H]32)c(O)c1Br 2327800005 DSAAOIOGIOLAMY-VXGBXAGGSA-N 311.223 2.351 10 10 DECE Oc1c(Cl)cccc1CN1CCN(c2cccnn2)CC1 179972619 JRJYVFDSBUBCJA-UHFFFAOYSA-N 304.781 2.158 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2 115855693 CIGACOJYMKCAKA-HOTGVXAUSA-N 317.433 2.258 10 10 DECE C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 75978444 FGLJGEGMYQVMGX-DOMZBBRYSA-N 305.447 2.447 10 10 DECE O=C(N[C@@H](C(=O)O)c1ccccc1O)OCc1ccccc1 39957063 DRZCYRRRDPDHBO-CQSZACIVSA-N 301.298 2.444 10 10 DECE CC(C)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 180963969 QWVZCQPUJAPZJQ-GQCTYLIASA-N 318.417 2.301 10 10 DECE CN(C(=O)C[S@@](=O)Cc1ccccc1)c1ccc(N)cc1 40963881 YQYAEEJLHQTUAU-OAQYLSRUSA-N 302.399 2.181 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cc(N2CCCC2)ccn1 194892657 MHYMNXKARBWLOU-UHFFFAOYSA-N 313.357 2.023 10 10 DECE CN1CCC[C@H](N(C)c2ccc(CN)c(Br)c2)C1 228151598 BCZLRNFQTXBKDR-ZDUSSCGKSA-N 312.255 2.438 10 10 DECE C[C@@H](NCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 237366404 UPBPSYKKLRXZFM-CQSZACIVSA-N 300.406 2.108 10 10 DECE O=C(NCc1ccc(O)c(O)c1)[C@H]1Cc2cc(Cl)ccc2O1 367885302 KXYWNWLFEPPUBP-OAHLLOKOSA-N 319.744 2.371 10 10 DECE C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 804975743 SCLKDPQWLMGDQQ-BBRMVZONSA-N 303.406 2.121 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 808538866 IXDVRZDTYIWXJX-UHFFFAOYSA-N 300.314 2.008 10 10 DECE CN1C[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 814173666 NXRAVEANTIESRT-GWCFXTLKSA-N 311.223 2.291 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(O)cc1 733887775 QYBONTBQESFWTN-UHFFFAOYSA-N 314.385 2.496 10 10 DECE Cc1cc(Br)c(O)c(CNC[C@@H]2CNC[C@H]2C)c1 903967081 GPDNSCCMDMTWKY-PWSUYJOCSA-N 313.239 2.408 10 10 DECE Cc1cc(O)c(CNCCN2CCSCC2)c(Cl)c1 840896753 NCBBISPWNWDZDR-UHFFFAOYSA-N 300.855 2.492 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3CCN4CCC[C@H]4C3)C2)cc1 850347711 WLXFQKGKMKVLAM-BQFCYCMXSA-N 315.461 2.490 10 10 DECE CCN(C)c1ccc([C@H](C)N[C@H](CO)c2ccnn2C)cc1 858434663 MJJVRGPYGOJHOY-XJKSGUPXSA-N 302.422 2.260 10 10 DECE O=C(NCc1ccccc1O)[C@H]1CCCN1c1nccs1 769363862 WYAOIWXUWGEJSL-GFCCVEGCSA-N 303.387 2.134 10 10 DECE CN1CCN(c2ccc(CNC[C@H]3CCC(C)(C)O3)cc2)CC1 778208512 MTLLHBUUDHZSGK-GOSISDBHSA-N 317.477 2.486 10 10 DECE CC(=O)c1cn(C2CN(Cc3cc(Cl)c(C)cc3O)C2)nn1 897941178 QQHUSRLIGZVPMZ-UHFFFAOYSA-N 320.780 2.205 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=N)N[C@@H](C)C3CC3)C2)cc1 899272708 NJGHLRZBTARBJN-KBPBESRZSA-N 316.449 2.434 10 10 DECE Cc1nc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)no1 1137924997 UCXXUOKVXGMGGZ-UHFFFAOYSA-N 319.342 2.276 10 10 DECE C[C@@H](C(=O)NCc1c(O)cccc1O)c1cccc([N+](=O)[O-])c1 1156885592 KWUYVHDDWORJPK-SNVBAGLBSA-N 316.313 2.426 10 10 DECE CC(C)(C)OC(=O)CN1CC[C@@H](Sc2nccs2)C1=O 1329505666 AYUQWGINGPRDFI-SECBINFHSA-N 314.432 2.178 10 10 DECE CC[C@@H](NCc1ccc(Br)cc1O)C(=O)OC 691427188 MZFWACMATNPQID-SNVBAGLBSA-N 302.168 2.196 10 10 DECE CCn1cccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1263764052 XPAYUSMWBLCPEU-UHFFFAOYSA-N 313.401 2.479 10 10 DECE CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1266669991 MTEHPIHDMOSHOV-CWRNSKLLSA-N 320.433 2.165 10 10 DECE CC(=O)OC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1295068900 DNNQRCMRGGZWPN-UHFFFAOYSA-N 318.333 2.017 10 10 DECE O=C(NCC1Cc2ccccc2C1)c1c(F)ccc(O)c1O 1610889171 ZINVYAFSRBYNNA-UHFFFAOYSA-N 301.317 2.382 10 10 DECE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(O)n1 1557122470 RHOGEIIJBBJDQB-UHFFFAOYSA-N 309.325 2.279 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCCN2CCCC2)cc1 1624428350 FGZXPEMITBMCTP-UHFFFAOYSA-N 303.366 2.065 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@]2(C)CCOC2)cc1C 1716417095 KAPDNORGVOZHBQ-RDTXWAMCSA-N 320.433 2.025 10 10 DECE C[C@@H](CNC/C=C\Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 1716466276 GONMBAXBIMRWCL-WSBRXGFHSA-N 323.784 2.309 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)ccc2C1 1635430483 ZZWFVMUIFSDPPT-CQSZACIVSA-N 313.353 2.020 10 10 DECE COc1ccc(CNC[C@H](C)N(C)C(=O)c2cocn2)cc1C 1732409410 PVSVSQDOIAQBFV-ZDUSSCGKSA-N 317.389 2.242 10 10 DECE NC(=O)N=Nc1ccc(C(=O)Nc2ccnc3ccnn23)cc1 1586751060 OTEQADHKKZMDEA-UHFFFAOYSA-N 309.289 2.144 10 10 DECE CC(C)NC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1698776931 KVPQMANNHLEWFU-LLVKDONJSA-N 305.382 2.213 10 10 DECE CCOC(=O)CN1C[C@H]2C[C@H]1CC[C@H]2Oc1ccc(N)cc1 259486023 IHSLZNPQTJYMMO-XNRPHZJLSA-N 304.390 2.064 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1cc(O)c(O)c(O)c1 1952215581 YSTFZLUJDCKRNJ-NSHDSACASA-N 324.377 2.075 10 10 DECE COc1cccc(CNOC2CN(C(=O)OC(C)(C)C)C2)c1O 1984439023 FLHPNNRENYDUOZ-UHFFFAOYSA-N 324.377 2.041 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1985102817 MGRJSPHSUJFZJR-NEPJUHHUSA-N 321.381 2.321 10 10 DECE CN1CCc2cc(N(Cc3ccccc3)CC3(O)CNC3)ccc21 1999507414 UVFAYBXKUQELEF-UHFFFAOYSA-N 323.440 2.020 10 10 DECE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)CC[C@@H]1O 310609927 AXTVCEQDTGOCLI-OQPBUACISA-N 317.202 2.254 10 10 DECE CO[C@H]1CCOC[C@@H]1NCc1cc(Br)ccc1O 724877879 LMLJOQBRJCBDHH-AAEUAGOBSA-N 316.195 2.048 10 10 DECE CCC[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 2059108153 FGCFPQWRBDNSNX-ZNXRZULTSA-N 316.401 2.103 10 10 DECE Cc1nn(C)c(C(=O)N(C)CCCN=[N+]=[N-])c1Br 2072304582 MQTVNWDFCQPABE-UHFFFAOYSA-N 315.175 2.263 10 10 DECE C[C@H]1[C@@H](C)N(c2ccc([C@@H](C)O)c(Cl)c2)CCS1(=O)=O 2170322348 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DECE CSc1ncc(CNC(=O)[C@@]2(N)C[C@@H]3CCCC[C@@H]32)s1 2359740103 YVTSJOJGGAPTEZ-NURSFMCSSA-N 311.476 2.389 10 10 DECE Nc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1 63129786 XMIAYLUVKDIJFL-UHFFFAOYSA-N 308.179 2.332 10 10 DECE O=C(Nc1c(Cl)ncnc1Cl)c1ccc(O)c(O)c1 236568606 ZVPHYWSNYLCVHG-UHFFFAOYSA-N 300.101 2.447 10 10 DECE Cc1cc(O)c([C@H](N)CCCO)cc1I 238475413 HWHUBQYGNFRFSL-SNVBAGLBSA-N 321.158 2.078 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@H]3COCC[C@H]32)c1 247259798 RODRGSYPHDEASJ-OCCSQVGLSA-N 310.375 2.007 10 10 DECE CC(=O)C(=O)COC(=O)[C@@H](OC1CCCC1)c1ccccc1 808512057 FNLXJLQMGIIQMX-INIZCTEOSA-N 304.342 2.388 10 10 DECE CCC(=O)N1CC[C@@H](NCc2cc(Cl)c(F)cc2O)C1 293626673 MYPHNJYCERPSCC-SNVBAGLBSA-N 300.761 2.285 10 10 DECE Cc1nnccc1C(=O)NCc1cc(Br)ccc1O 804739579 KHXUMAIZZDFELH-UHFFFAOYSA-N 322.162 2.183 10 10 DECE CC[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)ccc1O 818360564 AWHFMLKSRPEWPU-VXGBXAGGSA-N 310.781 2.234 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC34CC4)C2)cc1 823732554 GPPCBVMXVZTLEG-CJNGLKHVSA-N 315.417 2.373 10 10 DECE CN(C)c1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1 824451129 IAPUOKBMCRXROH-HNNXBMFYSA-N 303.406 2.027 10 10 DECE COC(=O)/C=C/c1ccc(N(C)CC(F)F)c([N+](=O)[O-])c1 733190314 SLZKROBYCUIPJU-GQCTYLIASA-N 300.261 2.482 10 10 DECE CN(C)c1ccc(/C=C\CNC[C@@H](O)COCC2CC2)cc1 835035419 CQEGFTNFJTUCNA-DDKKJVIOSA-N 304.434 2.143 10 10 DECE CC(=O)C(=O)COC(=O)c1cc2c(N(C)C)cccc2s1 910159634 RXGUSEZSXOWIGA-UHFFFAOYSA-N 305.355 2.282 10 10 DECE COC(=O)C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835027176 CTZSYCOGTACCGB-LAQIPUCWSA-N 318.417 2.030 10 10 DECE COC[C@H](CNC(=O)NCc1cc(OC)ccc1O)C(C)C 918745317 KFKYKYRMDUPZAY-ZDUSSCGKSA-N 310.394 2.119 10 10 DECE COc1cccc([C@H](C)N[C@@H](C)C2(S(C)(=O)=O)CC2)c1O 846169911 GWEVMYKAWVTEPY-QWRGUYRKSA-N 313.419 2.017 10 10 DECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H]1CCOC1 840480504 WPXKEPJFKNFIJN-YOEHRIQHSA-N 319.449 2.422 10 10 DECE CC1(N2CCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 922171771 MGWXEIOFISGYJQ-XQRVVYSFSA-N 316.401 2.198 10 10 DECE CC[C@H](CN1CCCC1)NC(=O)NCc1c(O)cccc1F 921437720 FQSZIHJLKZFJMI-GFCCVEGCSA-N 309.385 2.205 10 10 DECE CCO[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)CN(C)C 926962044 QKGMSKMTGGMQLA-PWSUYJOCSA-N 302.365 2.288 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1 858602980 OISDFZPOIKALBD-XHDPSFHLSA-N 304.390 2.205 10 10 DECE Cc1nc(CN(C)Cc2ccc(N3CCOCC3)cc2)co1 851716443 MMVIETIUNFMEOC-UHFFFAOYSA-N 301.390 2.452 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3c(C)ccn3C)C2)cc1 855227861 QNRBAIDLLRGXJA-AWEZNQCLSA-N 313.401 2.351 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)NCCc2cc(C)n(C)n2)c1 926909524 FXYSRUINAGYVHS-LBPRGKRZSA-N 317.389 2.114 10 10 DECE C/C=C\CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 858553174 ZIAOHUKETHRDFU-VQTKUKTRSA-N 303.406 2.397 10 10 DECE O=C1OCCN1C1CCN(Cc2cc3c(cc2O)CCC3)CC1 853608268 MQYXVKYDQLMOGN-UHFFFAOYSA-N 316.401 2.298 10 10 DECE COc1ccc(O)c(CNC(=O)c2cncc(OC)c2C)c1 866767376 QSLPGASEILRUJN-UHFFFAOYSA-N 302.330 2.043 10 10 DECE CN1CCCc2cc(CNC[C@@H](O)C[C@](C)(O)C3CC3)ccc21 872199875 SENWCPWVQMAGNV-HKUYNNGSSA-N 318.461 2.071 10 10 DECE Nc1cccc(C(=O)O)c1N[C@H]1CCCC2(CC1)OCCO2 1876458279 AZTZPNJIYHAEKV-NSHDSACASA-N 306.362 2.455 10 10 DECE CCc1[nH]c(CNCc2ccc(OC)cc2O)cc1C(=O)OC 894635020 GRBYCYQWOFUNFC-UHFFFAOYSA-N 318.373 2.368 10 10 DECE C[C@H](NC(=O)c1cccc(O)c1O)c1cc2n(n1)CCCC2 898394802 JWQXASVADREFHG-JTQLQIEISA-N 301.346 2.122 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1scnc1C(F)F 1150376671 APAWHTMZDAMAQY-UHFFFAOYSA-N 300.286 2.422 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCCN=[N+]=[N-])C1 1963818884 ZZILAJUQZALGBK-IAQYHMDHSA-N 323.397 2.450 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1noc2ccc(F)cc12 1171919987 RKZYDRIHSNODTA-UHFFFAOYSA-N 316.288 2.237 10 10 DECE C[C@H](N)c1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694152360 RNIYNIWRZRHZIN-JTQLQIEISA-N 304.843 2.231 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncoc1C(F)(F)F 1294868505 ALLIKJRJVPVONU-UHFFFAOYSA-N 302.208 2.035 10 10 DECE O=C(NCc1ccc(O)cc1O)c1ccc2nc(S)oc2c1 1451763275 AFMXRULMXXAKNU-UHFFFAOYSA-N 316.338 2.458 10 10 DECE O=C(NCCCSc1nccs1)c1ccnc2ccnn12 1464901654 PFTFQZRHOHKAOL-UHFFFAOYSA-N 319.415 2.098 10 10 DECE COc1cccc2c1[C@@H](C(=O)NCc1cc(O)ccc1O)CC2 1471661839 FASKHFXQRDOCKG-AWEZNQCLSA-N 313.353 2.453 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)C23CCCN2CCC3)c1 1566374727 RYNYSCBFANCLQA-GFCCVEGCSA-N 304.390 2.206 10 10 DECE Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1O 1643774075 FEPIXANVRVATQO-PHIMTYICSA-N 321.373 2.256 10 10 DECE CCOC(=O)c1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 1650818276 QUDBNVKAFJVEBT-UHFFFAOYSA-N 317.345 2.028 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)CCCO1 152011050 ZOBDEGANNQGEKJ-GOSISDBHSA-N 318.417 2.051 10 10 DECE COc1c(CN(C)Cc2ccc(N(C)C)cc2)c(C)nn1C 155186828 KIZGSMZQJYLLCB-UHFFFAOYSA-N 302.422 2.435 10 10 DECE CCN(CCOc1ccc(N)cc1)S(=O)(=O)C(C)(C)C 1913450947 OEJIDVBWGLGLQQ-UHFFFAOYSA-N 300.424 2.098 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985100443 GZBMQXKHLPLGOG-JQWIXIFHSA-N 323.397 2.401 10 10 DECE COC(=O)CCCNCc1ccc(Br)cc1O 691426835 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CC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CCOC 117323864 WHLAQOUMZRJEKM-SFHVURJKSA-N 318.461 2.424 10 10 DECE Cc1cc(Cl)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O 180128930 GSIQRDBGOZIOTK-HNNXBMFYSA-N 321.808 2.452 10 10 DECE C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)C[C@@H](C)O1 33429990 VMDWJVZCKMYDND-FGLUKDLVSA-N 318.398 2.472 10 10 DECE CCOC(=O)CCN1C(=O)/C(=C/c2ccncc2)SC1=S 40888563 HKTSCAFPVQIZQV-LUAWRHEFSA-N 322.411 2.236 10 10 DECE C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 132742344 UEZKCYADCYQLPE-BBRMVZONSA-N 320.458 2.424 10 10 DECE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@H]1O 380651462 YLMSQVRAAVTRFJ-AMIZOPFISA-N 317.202 2.254 10 10 DECE CC[C@H](N[C@H]1CNC(=O)C1)c1cc(Br)ccc1O 228941482 UPWJTFPOXMTNRD-KOLCDFICSA-N 313.195 2.084 10 10 DECE CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 246039616 AJQNACSSWVWNQQ-FVQBIDKESA-N 316.401 2.491 10 10 DECE Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C 529673403 MEYFOBJHOWNJEP-CABCVRRESA-N 309.431 2.161 10 10 DECE Oc1c(F)cccc1CN1CCC(CO[C@@H]2CCNC2)CC1 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Cc1cc(N(C)C)ccc1CN[C@@H]1CCO[C@]2(CCOC2)C1 840937805 YAJVYRQUTHQUJP-SJLPKXTDSA-N 304.434 2.489 10 10 DECE CO[C@](C)(CO)CNC(=O)c1sccc1-n1c(C)ccc1C 848263225 QVFMTUQOPQUOIH-INIZCTEOSA-N 322.430 2.283 10 10 DECE CCCCN(C)C[C@@H](C)NC(=O)NCc1c(O)cccc1F 922519099 OVAGYPWWRWBQIP-GFCCVEGCSA-N 311.401 2.451 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](c2cccc(O)c2O)[C@@H](C(=O)O)C1 687744401 XKDWOCVDDSKLMA-MNOVXSKESA-N 323.345 2.133 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@H](c1ncccn1)C1CC1 925480017 DFJUMQNHBCEWPY-AWEZNQCLSA-N 316.336 2.272 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CCOCC(C)C)C2)cc1 855231805 MHWVVNLTDPSDFN-HNNXBMFYSA-N 320.433 2.453 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3ccn(C)c3C)C2)cc1 855223231 DHRRGESMCOOAJZ-AWEZNQCLSA-N 313.401 2.351 10 10 DECE COc1cccc(O)c1CNCc1cnc(C(F)(F)F)nc1 850345043 HFWJJAKPNLUAKX-UHFFFAOYSA-N 313.279 2.499 10 10 DECE COc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)[nH]n1 861383295 GXPNIQVPCNEMHB-UHFFFAOYSA-N 303.366 2.114 10 10 DECE COc1ccc(N2CCC(NC[C@H](O)C(F)(F)F)CC2)cc1 765289690 FKIXTLDVZWHMQS-AWEZNQCLSA-N 318.339 2.177 10 10 DECE CC(C)C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCNC1=O 869145871 CHBGSAHWMDZNMF-MRXNPFEDSA-N 324.808 2.214 10 10 DECE CN1CCCc2cc(CNC(=O)N[C@H](CO)C3CCC3)ccc21 1118532138 PPAWXWUGYHVWSF-MRXNPFEDSA-N 317.433 2.029 10 10 DECE O=C(N[C@H](CCO)C1CC1)c1cc2cc(O)c(O)cc2s1 897009172 ISVGDIJQGQURGO-SNVBAGLBSA-N 307.371 2.203 10 10 DECE COC(=O)[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 781590187 UOMZFXWRMIUIFQ-DYVFJYSZSA-N 318.417 2.125 10 10 DECE Oc1cccc2c1[C@H](NCCn1cc(Br)nn1)CC2 1878209143 VCOWUBCTPYOLEH-SNVBAGLBSA-N 323.194 2.023 10 10 DECE CCOc1ccc(O)c(CN2CCC3(CC2)COCCO3)c1 895694183 FGCWMPFLIJZITG-UHFFFAOYSA-N 307.390 2.172 10 10 DECE COc1ccc(Br)c(CN[C@H](C)CCCO)c1O 1964041998 JDGMZNXHIWMUBN-SECBINFHSA-N 318.211 2.414 10 10 DECE COc1ccc(Br)c(CNCCCN(C)C)c1O 1964018776 BPOYMVHZCRNDIA-UHFFFAOYSA-N 317.227 2.205 10 10 DECE CCn1cc(C(=O)NCc2cc(O)ccc2O)c(C(C)C)n1 1176747860 CZASNNNZQLVDQR-UHFFFAOYSA-N 303.362 2.368 10 10 DECE C[C@H](O)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Cl)c1 716101442 MJBZWAGAQVGCSC-GCVQQVDUSA-N 317.838 2.405 10 10 DECE CN1C(=O)[C@@H](N)c2ccc(N3CCC(=CBr)C3)cc21 2115727697 JETRFLXZUMXILZ-ZDUSSCGKSA-N 322.206 2.152 10 10 DECE COc1nsc(OC)c1C(=O)N[C@@H](C)c1ccccc1O 1454829266 ZVKDZTFYSMCRIN-QMMMGPOBSA-N 308.359 2.357 10 10 DECE Cc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(NC2CC2)n1 1294871419 QUFILVQBOLUJQK-UHFFFAOYSA-N 313.357 2.306 10 10 DECE Cc1ccc(C(=O)Nc2c[nH]nc2Br)c(O)c1O 1469477481 TUSGAZPYVQZKQP-UHFFFAOYSA-N 312.123 2.144 10 10 DECE COC(=O)c1ccc2c(c1)N(C(=O)c1cccc(O)c1O)CC2 1472341312 ACVRESHETZBVKJ-UHFFFAOYSA-N 313.309 2.087 10 10 DECE COc1ccc(CN[C@H]2CCN(C(=O)C[C@H](C)OC)C2)cc1C 1480106658 BMHQTVKRBUOPES-HOCLYGCPSA-N 320.433 2.119 10 10 DECE COCC(=O)N[C@](C)(CNCc1ccc(OC)c(C)c1)C1CC1 1495216174 KYQJGZGXSAMQGS-GOSISDBHSA-N 320.433 2.025 10 10 DECE Cc1cccc(OCCC(=O)NCc2ccc(O)cc2O)c1 1639444234 CMEJDNMHYVHYQW-UHFFFAOYSA-N 301.342 2.492 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2nccnc2Cl)c1 1630365599 ABGBFNCDKNTGBV-MRVPVSSYSA-N 307.737 2.335 10 10 DECE CN(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 1644753715 GSSOOYOHPGNEDZ-INIZCTEOSA-N 300.358 2.017 10 10 DECE CN(C)C1(C(=O)NCc2ccc3cccnc3c2O)CCCC1 1643284375 CAANEXAXLUCUGU-UHFFFAOYSA-N 313.401 2.431 10 10 DECE Cc1nc2ccccn2c1CNC(=O)NCc1ccccc1O 1685693518 UGYZFEOUVUPPMA-UHFFFAOYSA-N 310.357 2.348 10 10 DECE O=S(=O)(Nc1ccc(O)c(F)c1)c1cncc(Cl)c1 2131316222 UTURWQVHWNFBSY-UHFFFAOYSA-N 302.714 2.381 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N(C)[C@H]1CCS(=O)(=O)C1 2138553858 RMDNSUSGDKENAA-ONGXEEELSA-N 303.811 2.226 10 10 DECE O=C1Nc2cc(N(CCCO)Cc3ccccc3)ccc2[C@@H]1O 1914641583 GNKASOFZZIQROA-KRWDZBQOSA-N 312.369 2.061 10 10 DECE Nc1ccc(O)c(CN2CC3(CCC4(CC3)OCCO4)C2)c1 1923475103 GXEUJZVAWQPTSL-UHFFFAOYSA-N 304.390 2.094 10 10 DECE CN[C@@H](c1ccccc1O)[C@@H](COC)NC(=O)OC(C)(C)C 1928481688 ZFNKVTXDDDSMOT-OCCSQVGLSA-N 310.394 2.192 10 10 DECE O=C(O)[C@H]1CCN[C@H](c2ccc(Br)cc2O)C1 1952459048 ZHFKNBWEXNVSAJ-XVKPBYJWSA-N 300.152 2.280 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C(NCc3c(O)cccc3F)[C@H]2C1 1976876766 DUMQDQCMRRHTHN-RYUDHWBXSA-N 322.380 2.486 10 10 DECE Cc1cccc(O)c1CN(Cc1ccccc1)CC1(O)CNC1 1976876113 UAMUUGWNPWTSFS-UHFFFAOYSA-N 312.413 2.037 10 10 DECE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1977960474 LQZAJEIKRFHBJZ-OAHLLOKOSA-N 321.421 2.341 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@]2(C(=O)N2CC(N=[N+]=[N-])C2)C1 1985094443 OYNQRSFAEUDKOB-WMFXKJRFSA-N 321.381 2.201 10 10 DECE C[C@H](NCc1ccc(Cl)cc1O)[C@@H]1CCCS(=O)(=O)C1 2146307616 BZZLPBHGCPYEGU-CMPLNLGQSA-N 317.838 2.349 10 10 DECE C[C@H](O)c1ccc(N2CC3(CC(O)C3)C2)cc1Br 2029658793 BGORERAUYGCXKI-VIFPVBQESA-N 312.207 2.464 10 10 DECE Cn1cc(Br)c(=N[C@@H]2CCc3cccc(O)c32)[nH]1 2038253777 USNDYJWDCKNLNR-SNVBAGLBSA-N 308.179 2.410 10 10 DECE C[C@H]1C[C@@H](C(=O)O)N(Cc2c(O)cccc2Br)C1 2041344115 YXDMJPOIAYFINN-KWQFWETISA-N 314.179 2.450 10 10 DECE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 403664887 TZULPVJHNQMHMZ-VIFPVBQESA-N 302.306 2.428 10 10 DECE COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1C 2042449448 ITHDGAGNNGYMFQ-UHFFFAOYSA-N 323.395 2.289 10 10 DECE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](C(F)F)C3)c(Cl)cc21 707145098 BWUGIWZSHKZNJI-KSBSHMNSSA-N 301.724 2.383 10 10 DECE CN(C[C@@H](O)C1CC1)c1cc(Br)c(CN)cc1F 690145307 MRQWWGUOKBCJDX-CYBMUJFWSA-N 317.202 2.254 10 10 DECE CN1C[C@@H]2C[C@H](C1)CN2Cc1c(O)cccc1Br 1275948291 XKWKOFFUYIDDLW-MNOVXSKESA-N 311.223 2.291 10 10 DECE C[C@@H]1C[S@](=O)CCN1c1ccc(C=CC(=O)O)cc1Cl 2171967432 ZYCXLWDTFHIZFP-CFMSYZGJSA-N 313.806 2.395 10 10 DECE C[C@@H]1C[C@H]1N(CCO)c1ccc(CN)c(Br)c1F 2048204819 MBDPVOQMNKAVEG-LDYMZIIASA-N 317.202 2.254 10 10 DECE O=C(O)[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1F 2057025227 JNXMLZFEMGFFPC-NXEZZACHSA-N 318.142 2.009 10 10 DECE CN1CCc2cc([C@@H](N)c3nc(Br)cn3C)ccc21 2104510956 PEFQDYAJCDPGKK-CYBMUJFWSA-N 321.222 2.223 10 10 DECE Cn1c(-c2c[nH]nc2CCN)nc2cc(Br)ccc21 2227047530 LATZEBIKSYPOBO-UHFFFAOYSA-N 320.194 2.227 10 10 DECE Cc1ccc(CN2C[C@H](N)C3(CC3)C2)c(O)c1Br 2327791304 ZHIRNXOANSTBCO-NSHDSACASA-N 311.223 2.386 10 10 DECE Cc1ccc(CN2C(=O)[C@H]3CC[C@H]3C2=O)c(O)c1Br 2352653529 ASEYAGQFBKDYNA-AOOOYVTPSA-N 324.174 2.358 10 10 DECE Cc1cnn(C[C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)c1 112072107 VQVCDFGDIRJMAM-QGZVFWFLSA-N 315.417 2.415 10 10 DECE COC(=O)c1coc(C(=O)NCc2ccc(N(C)C)cc2)c1 183845709 DIEZWVNZFVMYNA-UHFFFAOYSA-N 302.330 2.062 10 10 DECE CCCN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)CO)c(Cl)cc21 122548742 KYAAKZKMFFTXLC-LKFCYVNXSA-N 311.813 2.150 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 187960343 ZCMIYUZULQSJAT-BRWVUGGUSA-N 317.433 2.462 10 10 DECE CCN(CCO)c1ccc(CNCc2ccco2)cc1OC 212676407 AKTNCEPYKBYSFZ-UHFFFAOYSA-N 304.390 2.397 10 10 DECE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 243827644 QYFYELIDPVPYHC-UHFFFAOYSA-N 321.354 2.288 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H]1C 297363852 LSLYXKTUESQCAC-KBPBESRZSA-N 303.406 2.073 10 10 DECE CCO[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O 804733303 NWSHXIUFPBLRJZ-ZYHUDNBSSA-N 314.179 2.196 10 10 DECE CC[C@@H](CO)N1CCN(Cc2ccc3ccccc3c2O)CC1 816516913 WUJONYKBTNVFEL-KRWDZBQOSA-N 314.429 2.434 10 10 DECE CCN(CCSC)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 826851517 OSKFDABYCJDPMZ-UHFFFAOYSA-N 311.363 2.115 10 10 DECE O=C(NCc1ccccc1O)[C@@H]1OCCO[C@@H]1c1ccccc1 830526538 NGHSYKOMMGUCGN-IAGOWNOFSA-N 313.353 2.165 10 10 DECE CCOC(=O)C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 900533600 SBERUGPZFPFNSM-UHFFFAOYSA-N 323.370 2.384 10 10 DECE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2cc(O)cs2)cn1 855868203 ANWOEJMWVUQKAG-AAEUAGOBSA-N 305.403 2.328 10 10 DECE COc1cccc(O)c1CNCC1(CC(N)=O)CCCCC1 850412914 LKLVSJUGFBBFIS-UHFFFAOYSA-N 306.406 2.316 10 10 DECE COc1ccc(O)c([C@@H](C)N[C@@H]2CCO[C@@H]2c2nc(C)no2)c1 858592342 ZHXIOPWLIXOVBK-PKPZWWHKSA-N 319.361 2.273 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3ccccc3)C2)cc1 855223746 HPZROAADUMKXTH-OAHLLOKOSA-N 324.380 2.273 10 10 DECE C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)O1 865690331 YHULBBHHIBBHTF-RKVPGOIHSA-N 303.450 2.094 10 10 DECE C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1 861590438 RJCQWLPGAYZNBK-ZBFHGGJFSA-N 314.433 2.003 10 10 DECE C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1 861590436 RJCQWLPGAYZNBK-HOCLYGCPSA-N 314.433 2.003 10 10 DECE COC[C@@]1(C)CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 862552299 VQDXQZQBOPCFQL-MRXNPFEDSA-N 314.376 2.268 10 10 DECE Cc1cc(O)c(CNCCN2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1 1118042866 FFDVCVFVYVLTIX-BETUJISGSA-N 310.825 2.307 10 10 DECE CCN(CC)c1ccc(CNC(=O)Cc2cn(CC)nn2)cc1 1119756701 UWLASLVJFULCHB-UHFFFAOYSA-N 315.421 2.003 10 10 DECE COc1cccc(CNC[C@@H](O)Cc2ccccc2F)c1O 886231622 HUIITKONVHCUKD-AWEZNQCLSA-N 305.349 2.233 10 10 DECE CC(C)N1CCC[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 1138153107 XXRPTKFAIOYZJR-DZGCQCFKSA-N 320.433 2.265 10 10 DECE O=C(NC[C@H]1CCCOC1)c1cc2cc(O)c(O)cc2s1 895809838 BXAOQLLBYQLKIF-SECBINFHSA-N 307.371 2.469 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccncc1Br 703788432 YJOJIWVOGNLPIQ-SECBINFHSA-N 314.143 2.260 10 10 DECE CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCCCN=[N+]=[N-] 1964882118 BMGHDJYUMPIMQS-UHFFFAOYSA-N 301.347 2.038 10 10 DECE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC(N)=O 1295593234 BRQHUFNCDRILGM-CYBMUJFWSA-N 312.369 2.357 10 10 DECE O=C(NCc1c(O)cccc1O)c1cnc([C@H]2CCCO2)s1 1472063031 COOSWNWCNZLVAK-GFCCVEGCSA-N 320.370 2.336 10 10 DECE C[C@H](NC(=O)c1cnc2cccnn12)c1ccc(N(C)C)cc1 1616834415 GJDMFAAIAKAQFS-LBPRGKRZSA-N 309.373 2.286 10 10 DECE CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cc1ccc(O)c(O)c1 1625595076 CPDNZHIJDUMMMI-HNNXBMFYSA-N 317.389 2.068 10 10 DECE Cc1ccc(OCCNC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1626304317 CSQMBXQHYJNOQR-UHFFFAOYSA-N 315.369 2.452 10 10 DECE CC[C@H](OC)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1491000671 ZQVCZTZOAIJADQ-XHSDSOJGSA-N 320.433 2.165 10 10 DECE Nc1ccc(NC(=O)COCCOCc2ccccc2)cc1 1910494264 OLFOWBZNTWWOCY-UHFFFAOYSA-N 300.358 2.441 10 10 DECE CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(N=NC(N)=O)cc1 1596308393 HJDCYLUKERWGOG-WCQYABFASA-N 304.350 2.082 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)NCCN=[N+]=[N-] 1965101713 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308.378 2.341 10 10 DECE Oc1cccc(Br)c1CN1CCCCC12CNC2 1235103399 YKRXSFATDMLZDH-UHFFFAOYSA-N 311.223 2.483 10 10 DECE COC[C@]12C[C@H]1CN(c1ccc(CN)c(Br)c1)C2 2046795151 VFZCDGDCUXDXGV-SMDDNHRTSA-N 311.223 2.381 10 10 DECE NC[C@@H]1C[C@H]2CC[C@H]1N2Cc1cc(Br)ccc1O 2053971182 AAVCLYIEEMCTIV-ZWKOPEQDSA-N 311.223 2.466 10 10 DECE C[C@H]1CN(C)[C@H](C)CN1c1ccc(CN)c(Br)c1 2222183954 YMXJNHIAVSCRGA-MNOVXSKESA-N 312.255 2.437 10 10 DECE NCc1ccc(N2[C@H]3CC[C@H](O)[C@H]2CC3)cc1Br 2222298679 AQJDYXIASQDUBZ-HONMWMINSA-N 311.223 2.400 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)n1nc(Cl)nc1Cl 2265061497 RCDZISDATVSQHL-ZCFIWIBFSA-N 300.149 2.367 10 10 DECE CS(=O)(=O)c1cscc1CNCc1cc(F)ccc1O 2288480610 LKPJIJFCHWLGMN-UHFFFAOYSA-N 315.391 2.286 10 10 DECE Cc1ccc(CNCC(F)(F)CO)c(O)c1Br 2307571205 RYAQRMNFQIPYSV-UHFFFAOYSA-N 310.138 2.180 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H](O)[C@H]2C3)c(F)c1Br 2309931691 ABZSRCMMMLNXQK-XROYCOCOSA-N 315.186 2.006 10 10 DECE Cc1sc(NN(C)S(=O)(=O)C(C)C)nc1C(F)(F)F 2339754311 RZORGCCAALKYLU-UHFFFAOYSA-N 317.358 2.467 10 10 DECE CCN1CCC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 171430665 HEESRAKJRZEUBX-QWHCGFSZSA-N 321.421 2.245 10 10 DECE CCOCCN1CCN(Cc2cccc(OC)c2O)C[C@@H]1CC 121004503 SXZGQVRHDZEVGM-INIZCTEOSA-N 322.449 2.334 10 10 DECE COc1ccc(O)c([C@H](C)N[C@H]2CCCn3nc(C)nc32)c1 186096486 UURFUIJGDMFCEE-HZMBPMFUSA-N 302.378 2.486 10 10 DECE O=C1c2ccccc2C(=O)c2c(O)c(N3CCCC3)cc(O)c21 196672259 XITVJVOUZXZYIV-UHFFFAOYSA-N 309.321 2.473 10 10 DECE CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 249034445 WZLIOUKTDHQVEZ-KGLIPLIRSA-N 303.362 2.354 10 10 DECE O=S(=O)(C[C@H]1C[C@H]1C(F)(F)F)NCc1ccccc1O 2164632267 AZBRRSOXWIXWFA-NXEZZACHSA-N 309.309 2.010 10 10 DECE CCOC1(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 838032300 ZPJFYKZPKBTXIZ-UHFFFAOYSA-N 317.433 2.389 10 10 DECE c1cc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)ccn1 900600380 IWNKYFIWTUHTQI-UHFFFAOYSA-N 321.384 2.225 10 10 DECE CC[C@H](C)[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC 905781446 XORIFCALNFLFSE-ZQIUZPCESA-N 320.433 2.451 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@@H]1COC[C@@H]1c1ccccc1 910942363 CBBQBOLERXIUPT-HZPDHXFCSA-N 313.353 2.144 10 10 DECE O=C(NCc1noc(C2CC2)n1)NCc1cc(Cl)ccc1O 845080151 FRUYHOAPIHODOD-UHFFFAOYSA-N 322.752 2.305 10 10 DECE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc(N)cc1 841299094 FWAIOTIPZDINLM-SNVBAGLBSA-N 301.394 2.372 10 10 DECE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)[C@@H](C)[C@H]1C 842048881 LWTLBPPBLDMQCY-UTLUCORTSA-N 305.334 2.406 10 10 DECE CC[C@@H](C(=O)NCc1cc(Br)ccc1O)[C@H](C)O 842268724 XCMIGIVYFKWIJB-GZMMTYOYSA-N 316.195 2.178 10 10 DECE COc1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c(O)c1 852412937 MAAFHVMXRBGSEQ-CYBMUJFWSA-N 321.421 2.073 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC=CO3)C2)cc1 855227987 SQEVTZBWQAWMCY-CZUORRHYSA-N 302.374 2.083 10 10 DECE COC(=O)/C=C\c1ccc(N2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 853899077 QDVDQPUPHPELHJ-VSKVDJIOSA-N 320.345 2.131 10 10 DECE CCOP(=O)(OCC)[C@@H](O)CN(C)Cc1ccccc1O 851840877 KMWCWLOQWLVMOB-CQSZACIVSA-N 317.322 2.409 10 10 DECE CC[C@@H](NC[C@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 927132914 OPXCQGCSCTYWDC-WBVHZDCISA-N 302.422 2.260 10 10 DECE CN(C)[C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 857931075 UXLGOFBJLOCAAS-SYJIQKIWSA-N 322.412 2.399 10 10 DECE C[C@@H](NCCC1(CS(C)(=O)=O)CC1)c1ccc(F)cc1O 850485535 KTXUYPWUDMCEHR-LLVKDONJSA-N 315.410 2.397 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)NCCc2cncc(C)n2)c1 850549312 FVYQPJCBKJKUNK-GFCCVEGCSA-N 315.373 2.171 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)n[nH]2)c1 861383330 DQSSIRJQXIBYTA-QMMMGPOBSA-N 306.322 2.015 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)NC2CCCCC2)cc1 866757560 YQRSFCKTVGRGBZ-MRXNPFEDSA-N 304.438 2.384 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@]12CCOC2 1119491292 CZOVZAKQVISJME-OAHLLOKOSA-N 305.355 2.318 10 10 DECE C[C@@H](CNC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C 1959381992 DJZIZOLUKZAPPA-JTQLQIEISA-N 308.382 2.304 10 10 DECE C[S@@](=O)Cc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 1152573170 JQNIFIHGQKWTQO-JOCHJYFZSA-N 315.394 2.427 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1C[C@]23CCCC[C@]2(COC3)C1 1301443343 KWQDHXYOHFEGKN-HDICACEKSA-N 317.385 2.060 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCCN=[N+]=[N-])CCO1 1962287798 NEZICJJUNTVBAO-VXGBXAGGSA-N 313.402 2.301 10 10 DECE O=C(/C=C\c1cnccn1)Nc1c(Cl)ccc2nonc12 1327167173 OMNJLRMERZYOQM-RJRFIUFISA-N 301.693 2.318 10 10 DECE COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C)CC2)cc1C 1269469462 VRJLRAOZRCHSHM-WFASDCNBSA-N 302.418 2.398 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)c2cc[nH]n2)cc1C 1503094703 VUQSIOCCBXJAHX-ZDUSSCGKSA-N 316.405 2.025 10 10 DECE Nc1cc2c(cc1N1CCC(=CBr)C1)NC(=O)CO2 2115742271 XGIZDRTVKZMOPP-UHFFFAOYSA-N 324.178 2.089 10 10 DECE CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnc(C)s1 1534719785 WKIQYIHIBSGPHR-CMDGGOBGSA-N 315.398 2.487 10 10 DECE CN(C)[C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1628981511 FEXPGKYZVIUOOZ-KBPBESRZSA-N 317.393 2.452 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 1557177418 NQIPSFKLBZYCLI-ZIAGYGMSSA-N 305.374 2.058 10 10 DECE C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1O 1642824440 VBBAPXOWAZPEMG-LLVKDONJSA-N 313.357 2.052 10 10 DECE CCn1cc(C(=O)N(C)CCCN=[N+]=[N-])nc1Br 1912163687 MQSUARXTAFOBFO-UHFFFAOYSA-N 315.175 2.438 10 10 DECE CC(C)(C)OC(=O)N1CCC(N)(c2ccc(O)c(O)c2)CC1 1952426066 JAQRAWNMQMNTRE-UHFFFAOYSA-N 308.378 2.283 10 10 DECE COc1cccc(CN[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1O 1973222014 LJNBLJRLYVFLGC-OLZOCXBDSA-N 322.405 2.404 10 10 DECE CC(C)(C)OC(=O)NCC[C@@H]1CN(CCCN=[N+]=[N-])CCO1 1974707053 KEQGGPFDQDJLFJ-GFCCVEGCSA-N 313.402 2.302 10 10 DECE CC(C)(C)OC(=O)N1CCC(CO)(Nc2ccc(N)cc2)CC1 1988720751 GCZOGGQGYBNTLO-UHFFFAOYSA-N 321.421 2.443 10 10 DECE NCc1ccc(N2CCO[C@@H](CF)C2)c(Br)c1 2004600027 IVDPVGHIOIUWBW-JTQLQIEISA-N 303.175 2.083 10 10 DECE O=S1(=O)CCC[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21 2145075052 ZDESFQPIWKUKGO-IINYFYTJSA-N 315.822 2.055 10 10 DECE Cc1cccc(CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)c1O 1994451751 PNLGHYPDNWHZER-GFCCVEGCSA-N 322.405 2.478 10 10 DECE C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155553193 RXNCTYPJHOXKGK-VXGBXAGGSA-N 301.416 2.270 10 10 DECE NCc1ccc(N2C[C@@H](O)[C@H](C3CC3)C2)c(Br)c1 2030227153 PKHGWHDXXIFBAF-SMDDNHRTSA-N 311.223 2.115 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H]2CN3CC(F)F)cc1Cl 2188337375 MSCDUSFLIQYYNY-NEPJUHHUSA-N 301.768 2.327 10 10 DECE CP(C)(=O)CN1CCN(c2ccc(CO)cc2F)CC1 2205236788 UHGXSZJLOBNALN-UHFFFAOYSA-N 300.314 2.020 10 10 DECE Nc1ccc(NC(=O)CN2CC(SC(F)(F)F)C2)cc1 2237489517 QQODLPHFXBVDKU-UHFFFAOYSA-N 305.325 2.145 10 10 DECE O=C(O)CCN1C(=O)C(=Cc2cccc(O)c2)SC1=S 2293034704 IAZBFDQQOLGJTA-UHFFFAOYSA-N 309.368 2.068 10 10 DECE CC1CCN(CCCNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307987479 IYUPIUZVWSKPJA-UHFFFAOYSA-N 318.417 2.349 10 10 DECE Cc1noc(C)c1C[C@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2308001521 QCOXXIRXXSNAKQ-JTQLQIEISA-N 316.357 2.463 10 10 DECE CC=CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 2309607065 CHLSOOHXYFZNEX-CYBMUJFWSA-N 309.385 2.018 10 10 DECE OCc1ccc(N2[C@H]3CC[C@H](C3)[C@@H]2CO)c(Br)c1 2310100007 XSIGFYOVMXLDEC-SUNKGSAMSA-N 312.207 2.291 10 10 DECE CN(C)[C@H]1C[C@H]2C[C@H]1CN2c1ccc(CN)cc1Br 2341117428 UCIQDWZNVUVUIP-ZOWXZIJZSA-N 324.266 2.437 10 10 DECE COc1ccc(CN2CCC(CC(=O)N(C)C)CC2)c(O)c1 180329627 MKSWMCOJOBZRFF-UHFFFAOYSA-N 306.406 2.091 10 10 DECE COc1ccc(O)c(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 190155879 MQQMUROHASFBIB-KBPBESRZSA-N 319.361 2.054 10 10 DECE COc1ccc([C@H](O)COc2ccc(N)cc2)c(OC)c1OC 40352082 MFKQSQHLWKVZMK-CQSZACIVSA-N 319.357 2.407 10 10 DECE CCn1nc2c(cc1=O)CN(Cc1cccc(Cl)c1O)CC2 375013942 RYVBSCYSDKHUHZ-UHFFFAOYSA-N 319.792 2.181 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCc3nc[nH]c3C2)c1 810253678 ZYRCRWNCGITUIV-ZYHUDNBSSA-N 315.373 2.110 10 10 DECE CC(C)[C@@](C)(CO)NC(=O)NCc1ccc2c(c1)CCCN2C 812017553 HMIFLHUOAUUWMB-GOSISDBHSA-N 319.449 2.275 10 10 DECE OCC[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCOC1 816556712 SCGAVAVQKVGUIF-AWEZNQCLSA-N 303.761 2.063 10 10 DECE COc1ccc(N2CC[C@@H](CNCc3nccn3C)C2)cc1 818220082 IWYXMKQBKFVPJQ-AWEZNQCLSA-N 300.406 2.045 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1CCC1(F)CCC1 819169413 IOHBPWQROVKBOV-UHFFFAOYSA-N 306.337 2.439 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC12CC2 823858596 WVEKCXLSJFBTAT-INIZCTEOSA-N 315.417 2.217 10 10 DECE C[C@H](F)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 836481342 GOQWNVMBHPVRCQ-AWEZNQCLSA-N 323.412 2.413 10 10 DECE CCN(CC)c1ccc(CNC(=O)C23CCN(CC2)C3)cc1F 900634956 BBMJOGGIGAPLTJ-UHFFFAOYSA-N 319.424 2.384 10 10 DECE C[C@H]1COCCN1CCNC/C=C/c1ccc(N(C)C)cc1 835042512 ISDJCIYHXGHYEW-APHBUQMISA-N 303.450 2.076 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCOC[C@@H]2C)cc1 844855663 FPJCKUMRCHCOSI-YOEHRIQHSA-N 320.433 2.262 10 10 DECE C[C@H]1CNCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 841988357 UUDGQUJKJHDCDK-LRDDRELGSA-N 317.433 2.068 10 10 DECE C[C@H]1COC2(CCCC2)CN1Cc1cc2c(cc1O)OC[C@H]2O 853576948 GQKYDIQYNWGJLP-BLLLJJGKSA-N 319.401 2.352 10 10 DECE CCN(CC)c1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1F 858228013 XGVZHGYZSMLCMK-IRXDYDNUSA-N 310.413 2.301 10 10 DECE COCCN1CCC[C@@H]1CNCc1ccc2c(c1)CCCO2 921667290 OHSGHYMJOQUQMQ-QGZVFWFLSA-N 304.434 2.212 10 10 DECE COC[C@H](C)OC(=O)NC1CCN(c2ccc(OC)cc2)CC1 866710367 PSCGDHFKVKNGTE-ZDUSSCGKSA-N 322.405 2.425 10 10 DECE COC(=O)c1cnc(S[C@@H]2CCN(C3CCC3)C2=O)s1 865369250 OMGLTPWXESZASY-SECBINFHSA-N 312.416 2.175 10 10 DECE CN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 779503858 VOJWRPFXDVODSN-CSKARUKUSA-N 318.417 2.492 10 10 DECE COc1cnccc1[C@H](C)NC(=O)NCc1ccccc1O 782655829 XWEVSVPUGAOKDJ-NSHDSACASA-N 301.346 2.356 10 10 DECE CN(C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 786865531 OHJGBMQMMUUIDS-UHFFFAOYSA-N 314.341 2.499 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 899151119 PIUUGHHODOBEDB-SVIKCVJRSA-N 319.382 2.298 10 10 DECE COc1ccc2c(c1)NC1(CCCC1)CN2CCOCCN 76931055 KLOHXXLVJKVBNF-UHFFFAOYSA-N 305.422 2.215 10 10 DECE CN(Cc1ccnn1C)c1ccc(CN)cc1Br 689554673 ZGVMRIJIXZMKBL-UHFFFAOYSA-N 309.211 2.278 10 10 DECE CCN(CC)CC[C@@H](C)NC(=O)NCc1c(O)cccc1F 1263793421 TWSUJHJBOHAECV-GFCCVEGCSA-N 311.401 2.451 10 10 DECE CSCCS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 2117402042 BESMQESBOOZSFC-UHFFFAOYSA-N 302.465 2.172 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2cncn2c1 1468835329 NCOQBHFHIFCUIL-UTCJRWHESA-N 309.325 2.075 10 10 DECE COc1cc(CNCc2ccncc2)ccc1N1CCOCC1 212685730 RBQNCWNNAIAQTC-UHFFFAOYSA-N 313.401 2.217 10 10 DECE C[C@H](NCCn1cnc2ccccc2c1=O)c1ccccc1O 1620504835 CGYDXUSYFFCAER-ZDUSSCGKSA-N 309.369 2.453 10 10 DECE CC1(C)OC[C@H](NCc2cc(Cl)cc(Cl)c2O)[C@H]1O 1911026736 OXUOBQNVTGJGHP-CMPLNLGQSA-N 306.189 2.327 10 10 DECE C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1640211079 SBXGSQGYGKDJHA-ZYHUDNBSSA-N 304.350 2.251 10 10 DECE COC(=O)c1cc(OCC[C@H]2COC(C)(C)O2)ccc1N(C)C 1641368734 STQNFZRNYGGGGF-ZDUSSCGKSA-N 323.389 2.460 10 10 DECE CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1noc(C)n1 1587664142 ZFXMKXPXOFPTQI-LLVKDONJSA-N 316.321 2.422 10 10 DECE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(Br)cc2)C1 1912171456 KQFHEJIYXSRVKA-UHFFFAOYSA-N 317.168 2.132 10 10 DECE CC[C@]1(C(=O)NCc2c(O)ccc3ccccc23)CCNC1=O 1652708508 FHWISQWYYGAPEI-SFHVURJKSA-N 312.369 2.078 10 10 DECE Cc1ccc2c(c1)C=C(C(=O)NCc1c(O)cccc1O)CO2 1597574887 VDNPRLFEPSIYNA-UHFFFAOYSA-N 311.337 2.498 10 10 DECE O=C(C[C@H]1OCCc2ccccc21)NCc1c(O)cccc1O 1597573498 FAQMWQXLBYLZIK-QGZVFWFLSA-N 313.353 2.418 10 10 DECE Oc1cc(Br)ccc1CN[C@H]1C[C@@H](n2ccnn2)C1 2127672024 SCIDMKYWAQXYBJ-TXEJJXNPSA-N 323.194 2.240 10 10 DECE Oc1cccc(Br)c1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2O 1967759984 PRFDQCRQUQUDGQ-OPGJCSGMSA-N 312.207 2.404 10 10 DECE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CNCCO1 125384494 DQGFYNRHYHTTSU-LLVKDONJSA-N 305.205 2.119 10 10 DECE N[C@H](c1ccccc1O)[C@H](O)c1sncc1Br 1943688582 AFPZKBJOGGHVAQ-ZJUUUORDSA-N 315.192 2.345 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)CC1(N)CC1 1951996837 GVMHUSBCPRAIAD-LBPRGKRZSA-N 322.405 2.415 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CO[C@H](COc2ccc(N)cc2)C1 1952910523 NERQLHXJJZUCAH-JSGCOSHPSA-N 308.378 2.330 10 10 DECE COc1cc(Cl)cc(CN2CC[S@@](=O)[C@H](C)C2)c1O 1970340202 YWMBGYBFMZHRSC-AYLIAGHASA-N 303.811 2.007 10 10 DECE COC[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1972628967 ODPSNQFTSQNPPR-OAHLLOKOSA-N 324.421 2.155 10 10 DECE Oc1cccc(Br)c1CN1CC[C@H]2CCN[C@@H]2C1 2027227719 OXAODXVLJIDSQH-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE C[C@@H]1CN(c2ccc(CO)cc2C(F)(F)F)CC[S@@]1=O 2171958501 AWAMUJWKQXWMJZ-YBYGRFCBSA-N 307.337 2.155 10 10 DECE COC(=O)[C@@H](NCc1c(O)cccc1Br)C(C)C 706630819 LJJLPTLDCKCERN-LBPRGKRZSA-N 316.195 2.442 10 10 DECE COc1cccc(C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2053494516 WCTOQHZQAPZILK-UHFFFAOYSA-N 323.395 2.371 10 10 DECE CCN(c1ccc([C@@H](C)N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 387419980 OBKUMVRYEMMZDO-ZYHUDNBSSA-N 316.854 2.373 10 10 DECE N[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Br)c1O)C2 1236022102 CACYDTZMMQTCQP-PRHODGIISA-N 317.614 2.341 10 10 DECE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@@H](C)N)cc1F 2170563382 ZKXVXBBHHTZUBT-GHMZBOCLSA-N 302.415 2.105 10 10 DECE COc1ccc(Br)c(CNCc2cnco2)c1O 2208530986 RTPSMYJTCAOXSO-UHFFFAOYSA-N 313.151 2.441 10 10 DECE CC(F)(F)CC[S@@](=O)CCC(=O)Nc1ccc(N)cc1 2283704666 XMTORKHGCVKRNK-FQEVSTJZSA-N 304.362 2.391 10 10 DECE CC[C@@H](C)N(CC(=O)O)C(=O)NCc1cnc(SC)s1 2284544504 PTPDVOBZFWMDES-MRVPVSSYSA-N 317.436 2.260 10 10 DECE CSc1ncc(CNC(=O)c2cc(F)ccc2NN)s1 2284708577 BQRSRRCUNDUQPL-UHFFFAOYSA-N 312.395 2.220 10 10 DECE C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2NC1=O 491902028 DESVMKQFZSCASV-NNNHXZLVSA-N 308.341 2.111 10 10 DECE CN(C)[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccco1 2307982169 RBCVPSHIDQMXAS-CYBMUJFWSA-N 316.357 2.123 10 10 DECE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1F 2323692100 DCFIKHCKNOPSPD-UHFFFAOYSA-N 311.359 2.420 10 10 DECE CC(=O)N1CCN(N=Nc2ccc(N3CCCC3)cc2)CC1 2330221335 ZYAFZGYUNFAKLE-UHFFFAOYSA-N 301.394 2.450 10 10 DECE Cc1nccn1CCNCc1cccc(Br)c1O 310628059 KYOUJUFOOFVYJC-UHFFFAOYSA-N 310.195 2.449 10 10 DECE Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 217286361 KTIGHLSMDKBZNF-MRXNPFEDSA-N 324.384 2.191 10 10 DECE CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cc(F)ccc1O)CC2 185996252 LCRRIKUTQGMAMY-PWSUYJOCSA-N 304.369 2.351 10 10 DECE COc1ccc(N2CCN(C(=O)c3ccncc3F)CC2)cc1 78060569 AVJFTEHFNHCSBD-UHFFFAOYSA-N 315.348 2.192 10 10 DECE Cc1cccc(CNC(C)(C)CCN2CCN(C)CC2)c1O 186706828 IZFPOVNKZSIUOL-UHFFFAOYSA-N 305.466 2.206 10 10 DECE CSCCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 229172489 JMBNNWNLUUWTJA-UHFFFAOYSA-N 304.419 2.328 10 10 DECE CCOc1ccc(O)c(CN2CCC[C@H]2c2nncn2C)c1 93810347 HSBSKLJZISFAAY-AWEZNQCLSA-N 302.378 2.257 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1F 251770623 KVFOXDSXNVFMHO-JGGQBBKZSA-N 321.396 2.258 10 10 DECE Cc1cc(N2CCC[C@@H](NCc3ccccc3O)C2)n(C)n1 277734903 PAUGPAILASGCFG-OAHLLOKOSA-N 300.406 2.193 10 10 DECE Cc1cc(O)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 387469708 OIDSJQNILZGISN-UHFFFAOYSA-N 303.343 2.077 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC(C[S@@](C)=O)C2)c1O 2166649810 FKVBZWZWMZCYFU-HXUWFJFHSA-N 315.822 2.059 10 10 DECE O=C(C[C@H]1CCOC1)NCc1cc(Br)ccc1O 804736288 PLGARLBZGQMHNE-SECBINFHSA-N 314.179 2.198 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cn(C)nc1Cl 814388395 HDDBAJBIMZQNMK-UHFFFAOYSA-N 320.824 2.341 10 10 DECE O=S(=O)(NCCCSc1nccs1)c1cscn1 827149163 BXBUKZIYPBMJOX-UHFFFAOYSA-N 321.474 2.060 10 10 DECE CN(C)c1ccc(CNC(=O)/C=C\c2ccncn2)cc1F 588439848 BVGGBEMZBFSAGF-XQRVVYSFSA-N 300.337 2.011 10 10 DECE C[C@H](NC[C@H]1CCCCN1CCO)c1cc(F)cc(F)c1O 834849819 GBRIJZSUSPTXQB-WCQYABFASA-N 314.376 2.168 10 10 DECE CCOC1(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 838028662 BKMPRIRAIGYWTA-UHFFFAOYSA-N 309.385 2.212 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C3CC3)C(=O)O2)c1 844314264 YXBQNOMXKCALHJ-ZWNOBZJWSA-N 306.362 2.035 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C1CCOCC1)C1CC1 846421012 QMTHFNWEMBXZQN-VBAWXRRRSA-N 317.385 2.432 10 10 DECE COc1cccc([C@H](C)NC[C@@H](CO)c2cccnc2)c1O 846174707 YOWHAZGIUXADDN-JSGCOSHPSA-N 302.374 2.223 10 10 DECE CO[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)[C@@H]1CCOC1 850484921 ULDMSLVZKDBLKC-IMSIIYSGSA-N 301.333 2.373 10 10 DECE COc1cc(N2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC 853834837 XDVIQKCJTPFEPO-INIZCTEOSA-N 322.361 2.353 10 10 DECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 861476049 AKYPSCDXKHJTHT-PIIMJCKOSA-N 324.380 2.281 10 10 DECE CCON(CC)C(=O)CNCc1cc(Cl)c(F)cc1O 862453664 MAQVOPCFWPAWTC-UHFFFAOYSA-N 304.749 2.074 10 10 DECE COC[C@]1(C)CN(Cc2cc(Cl)cc(OC)c2O)CCO1 862552123 TXVPPAKICYXEQS-HNNXBMFYSA-N 315.797 2.292 10 10 DECE Cc1c([C@@H](N)CO)cc(Cl)c(N2CCOCC2)c1Cl 72199798 NVYUTZPSDRRQIJ-NSHDSACASA-N 305.205 2.131 10 10 DECE Cc1c(CNC(=O)NC[C@H]2CC[C@H](O)C2)n(C)c2ccccc12 956955983 ZBZATZDKLVUSDH-KBPBESRZSA-N 315.417 2.447 10 10 DECE CN(Cc1ccccc1O)C(=O)NC[C@]12C[C@H]1COC21CCC1 898687605 BAUZDBXGASLBJO-WMLDXEAASA-N 316.401 2.493 10 10 DECE O=C(NC[C@@H]1CCCOC1)c1cc2cc(O)c(O)cc2s1 895809839 BXAOQLLBYQLKIF-VIFPVBQESA-N 307.371 2.469 10 10 DECE Cc1nc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cn2n1 1139409513 RRXRWYVTDVEZBG-UHFFFAOYSA-N 323.316 2.452 10 10 DECE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])c2cncnc21 1962298500 FMNWLFWRJZRFKB-UHFFFAOYSA-N 305.342 2.348 10 10 DECE CCNc1cccnc1C(=O)NCc1ccc(OC)cc1O 1346957600 KRNZDEGOACYFMY-UHFFFAOYSA-N 301.346 2.158 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ccc2nc[nH]c2c1F 1445935453 AFNWTOQFEGJKLI-UHFFFAOYSA-N 315.304 2.086 10 10 DECE O=Cc1cn(CC(=O)NCc2c(O)cccc2O)c2ccccc12 1456313539 FBASEJRZLXRQJP-UHFFFAOYSA-N 324.336 2.181 10 10 DECE COc1ccc(CNC(=O)c2conc2C(F)(F)F)c(O)c1 1296967517 CWGSXUSXKQVQCI-UHFFFAOYSA-N 316.235 2.338 10 10 DECE CCN(CC)C(=O)OCOc1ccc(N(C)C)c(C(=O)OC)c1 1473077098 HAZSVUGKJGXKMK-UHFFFAOYSA-N 324.377 2.354 10 10 DECE O=C(c1cnn(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 1644088070 DKCWXLAXAWCOSP-UHFFFAOYSA-N 306.325 2.129 10 10 DECE COc1ccc(N2CCN(C(=O)C[C@@H](O)CC(C)C)CC2)cc1 1858136499 CHLSRONBUMCLGH-INIZCTEOSA-N 320.433 2.141 10 10 DECE NN[C@@H](c1ccccc1O)c1ncsc1Br 1936973993 JHGDIHFSDBGWQV-QMMMGPOBSA-N 300.181 2.164 10 10 DECE OC[C@H](CNCc1c(O)cccc1Br)C1CC1 1942317692 JMVVKJVZQUSBFU-JTQLQIEISA-N 300.196 2.263 10 10 DECE Oc1c(F)cc(Br)cc1[C@@H]1NCCCC[C@@H]1O 1952067319 DHRFOROEBORKDE-QWRGUYRKSA-N 304.159 2.469 10 10 DECE CN(CCCOc1ccc(N)cc1)CCNC(=O)OC(C)(C)C 1977897602 RMSAJMXTPVPQFF-UHFFFAOYSA-N 323.437 2.494 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cc2)CCO1 1977932023 SCSLGZGCNCVZCP-DOMZBBRYSA-N 321.421 2.387 10 10 DECE CCc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)s1 32215315 GDKRYOJRLZTQPS-UHFFFAOYSA-N 310.444 2.414 10 10 DECE COc1ccc(N2CC(C)(N)C2)c(OC)c1Br 2001285323 DQCAYRFUQMQLIQ-UHFFFAOYSA-N 301.184 2.004 10 10 DECE CC(C)[C@@](C)(NCc1cccc(Br)c1O)C(N)=O 310899362 BGMRDILRIPXMFK-CYBMUJFWSA-N 315.211 2.144 10 10 DECE Cc1ccc(O)c([C@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c1 2070642161 ALMQJPOCCVRYOU-JTQLQIEISA-N 301.346 2.104 10 10 DECE C[C@H](NCC1CC(S(C)(=O)=O)C1)c1ccc(F)cc1O 2192327143 DAIWSYUUJDASMD-BMQDGWLCSA-N 301.383 2.005 10 10 DECE CN1C[C@@H]2C[C@H](C1)CN2Cc1cccc(Br)c1O 2042496863 JGSWZMMLJSDPEY-PWSUYJOCSA-N 311.223 2.291 10 10 DECE CCNCc1ccc(N2C[C@@H]3COC[C@H]32)cc1Br 2066307708 CFRDTUROIYDRAY-BXUZGUMPSA-N 311.223 2.394 10 10 DECE NCc1ccc(N2CC[C@H](CO)C23CC3)c(Br)c1 2070107116 QVJHSNHLAVSYQM-LLVKDONJSA-N 311.223 2.259 10 10 DECE CN(C)C[C@H]1C=CCN1c1ccc(CO)c(Br)c1 2222819211 DSAOYWZXBSIBAX-CYBMUJFWSA-N 311.223 2.248 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254033331 AUWMWHVFZUCMIC-IMSIIYSGSA-N 312.207 2.464 10 10 DECE Cc1ccc(CNC[C@@H](C)[S@](C)=O)c(O)c1Br 2307569731 KKNKWEMGTPGZBU-XLFHBGCDSA-N 320.252 2.320 10 10 DECE C[C@H](N)c1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319433557 USZSEDWNHPDEOX-YIZRAAEISA-N 306.478 2.221 10 10 DECE CC(C)n1nc(Br)nc1[C@H](N)c1ccccc1O 2328417569 HNVJPNGUPBHODU-SNVBAGLBSA-N 311.183 2.375 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(c2ccccc2)CC1 62460319 BEKLSHVGTHPPGQ-OAHLLOKOSA-N 324.428 2.418 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](CO)C1 302962789 QPEFMSSRPNRWCH-CYBMUJFWSA-N 313.357 2.095 10 10 DECE CCN(CCOC)c1c(F)cc(CNCCOC)cc1F 62737252 MOYSBADZSIWFSL-UHFFFAOYSA-N 302.365 2.174 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCC[C@@H]1O 73721919 ORVQXEQPSHNEAG-WBVHZDCISA-N 317.433 2.247 10 10 DECE COc1ccc(N(C)C[C@@H](C)CS(C)(=O)=O)cc1Cl 121944526 ZZLDUIDNAXMTPM-SNVBAGLBSA-N 305.827 2.466 10 10 DECE C[C@H]1CCCN1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 184895390 PSKZMQNXWBPLRE-AWEZNQCLSA-N 323.462 2.106 10 10 DECE CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(O)c(O)c1)C1CC1 226758027 NIHGDHDIIYTKHI-CYBMUJFWSA-N 322.405 2.491 10 10 DECE CCOc1cccc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)c1O 245754902 OLGATDQDDXFZKE-HOCLYGCPSA-N 322.449 2.068 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1 800797952 CNHMLVVYEVFSAK-KBPBESRZSA-N 310.344 2.245 10 10 DECE COC(=O)c1cncnc1NCc1ccc(N2CCCC2)cc1 804349866 KUVZDEANKWOKGQ-UHFFFAOYSA-N 312.373 2.476 10 10 DECE COC(=O)/C=C/c1ccc(N2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 298299133 JWFWVZDVKQAECY-YILIYONBSA-N 320.345 2.395 10 10 DECE CC(C)(C)OC(=O)N1CCN(Cc2cc(C=O)ccc2O)CC1 821294912 MANOURVPWJROCU-UHFFFAOYSA-N 320.389 2.257 10 10 DECE COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)n1C 820851701 RCZBTABHYLJNSX-UHFFFAOYSA-N 300.358 2.383 10 10 DECE Cc1cc(O)c(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1Cl 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C[C@H]1[C@@H](N(C)C)CCN1c1ccc(CN)cc1Br 311208720 KKHZHIUKTMCQMN-GWCFXTLKSA-N 312.255 2.437 10 10 DECE C[C@@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Cl 694169073 AJNHVMIOYWAHKR-SNVBAGLBSA-N 316.854 2.373 10 10 DECE Cc1ccc([C@H](C)n2nc(C(C)C)c(C(N)=O)c2N)c(O)c1 2079140851 SODWTGQFSBKUQF-JTQLQIEISA-N 302.378 2.311 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@H](O)C[C@H]32)c(Br)c1 2057961676 VCJZJEPHTUZBRF-ZLBRTTDGSA-N 312.207 2.462 10 10 DECE Cn1cc(NC(=O)CCc2ccc(N)cc2)c(Br)n1 2230798636 OKVLANYUIFKRPG-UHFFFAOYSA-N 323.194 2.336 10 10 DECE Cc1ccc(CN(C)C(=O)C[C@H](C)O)c(O)c1Br 2327798174 DECLUVANLUSUBC-VIFPVBQESA-N 316.195 2.192 10 10 DECE O=C(O)[C@@]1(Sc2nccs2)CCCN[C@@H]1C(F)(F)F 2351839877 WGFANEKDKVBHJM-IMTBSYHQSA-N 312.338 2.373 10 10 DECE C[C@H](C[S@](C)=O)NCc1cc(OC(F)(F)F)ccc1O 2361045725 ROWGYFMOFFUILO-SQFXPLBJSA-N 311.325 2.147 10 10 DECE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 301653940 HNFMMPUKLBGUPZ-UHFFFAOYSA-N 323.374 2.258 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@H](C)c1cc(OC)ccc1O)CC2 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DECE C/C(=C/c1ccncc1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 848394045 MHLUTPMPBNCTFY-FFWXCITRSA-N 324.428 2.367 10 10 DECE COc1cccc(CNC(=O)NCCC2CC(OC)C2)c1O 854249313 AADPOVHLOHZOQT-UHFFFAOYSA-N 308.378 2.015 10 10 DECE CN(C)c1ccc([C@@H](N)CN[C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)cc1 925689091 GIDZTVMUOVDZAM-OWSLCNJRSA-N 316.493 2.119 10 10 DECE C[C@H](NCc1c2c(nn1C)CCOC2)c1ccc(N(C)C)cc1 922016076 XFCNSWRUYKGGCC-ZDUSSCGKSA-N 314.433 2.410 10 10 DECE Oc1cc2c(cc1CNCCc1cnc(C3CC3)nc1)OCO2 756049434 ZFPMLSOBFCWUDG-UHFFFAOYSA-N 313.357 2.121 10 10 DECE Nc1ccc(CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 851646581 YDOPHWKPKAUFBR-KRWDZBQOSA-N 311.385 2.111 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1F 762168456 QJMNXQBNBQPHOM-UHFFFAOYSA-N 318.308 2.125 10 10 DECE C[C@@H]1O[C@H](C)C[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 865690333 YHULBBHHIBBHTF-VKJFTORMSA-N 303.450 2.094 10 10 DECE CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 864633161 ANDOIOKMDWMQEL-NVXWUHKLSA-N 320.433 2.153 10 10 DECE C/C=C\C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O 761184098 URBVBHFDNGDUQG-ZFDPJTLLSA-N 305.353 2.278 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1CCn2c(O)nnc2C1 776519625 ANKMEWLIXZTJQG-UHFFFAOYSA-N 315.160 2.012 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1895876661 XEVFJILYTBIPQM-SDDRHHMPSA-N 323.397 2.449 10 10 DECE CCc1ncc(Cl)c(C(=O)NCc2cc(O)ccc2O)n1 1303227126 JNWWOXVSALJLPS-UHFFFAOYSA-N 307.737 2.034 10 10 DECE C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCF 1328460099 YAZQNIBNWXHSCP-NSHDSACASA-N 323.372 2.307 10 10 DECE C[C@@H](c1ccc(F)cc1O)N(C)CC(C)(C)S(C)(=O)=O 713911552 KUSGHXKDPUKIHN-JTQLQIEISA-N 303.399 2.347 10 10 DECE C[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1cc(F)ccc1O 694722661 YRWVFJYHZQAXEE-ZYHUDNBSSA-N 301.383 2.149 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)C[C@@H]2CCCO2)cc1C 1275085787 QZFRPIGYJGIGSA-HOCLYGCPSA-N 320.433 2.167 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1O 1350535010 IHOYSZMLOUBIMK-JGPRNRPPSA-N 312.316 2.244 10 10 DECE Cc1ccc([C@@H](C)[C@@H](O)C(=O)NCc2c(O)cccc2O)cc1 1456234953 KESCMPHIYKRQCY-SJKOYZFVSA-N 315.369 2.187 10 10 DECE COc1ccc(CNC(=O)c2ccn3c(C)cnc3c2)c(O)c1 1296968498 PLFXZAHEDYWVOW-UHFFFAOYSA-N 311.341 2.287 10 10 DECE C[C@@H](NC(=O)c1c[nH]nc1-c1cnn(C)c1)c1ccccc1O 1471196049 RXFNWNQORVNTAC-SNVBAGLBSA-N 311.345 2.007 10 10 DECE CCC(=O)N[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1472085905 CVGQBECDYSEBIF-LLVKDONJSA-N 300.358 2.076 10 10 DECE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(C(F)(F)F)c1 1557084492 BHAJHXKXFZRFIF-UHFFFAOYSA-N 314.263 2.385 10 10 DECE C[C@@H](F)CCN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1714574152 OLABSJJWPDHHKU-LLVKDONJSA-N 323.372 2.259 10 10 DECE C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 31540400 KKXSCWWODCABHQ-OZPBLJIJSA-N 304.386 2.286 10 10 DECE in-vitro COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)ccc1C 1639447836 KUQPRRYXWTWLFE-UHFFFAOYSA-N 315.325 2.123 10 10 DECE Cc1cccc(CCCNC(=O)Cc2ccc(O)c(O)c2)n1 1635020671 BLVXIRDJXFYWJZ-UHFFFAOYSA-N 300.358 2.093 10 10 DECE COc1ccc(CNC(=O)c2cc(C=O)ccc2F)c(O)c1 1633926504 FYQHXOKHUZUSPP-UHFFFAOYSA-N 303.289 2.282 10 10 DECE COC[C@@H](C)OC(=O)CCNCc1cc(Cl)ccc1O 1857870863 YRQNVOWPGXOQHP-SNVBAGLBSA-N 301.770 2.103 10 10 DECE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 1902346914 JNEARAXJWHDBCV-CYBMUJFWSA-N 312.369 2.313 10 10 DECE O=C1Nc2cc(N3CC4(CCC4)C3)c(Br)cc2[C@H]1O 1914950501 KAOLFHVQLITQBD-GFCCVEGCSA-N 323.190 2.425 10 10 DECE NN[C@@H](c1ccccc1O)c1csnc1Br 1926875836 MALBUTCWUFPZHH-VIFPVBQESA-N 300.181 2.164 10 10 DECE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2CCOC[C@H]21 1967844407 JAXXCTWUSGVZAF-HOSYDEDBSA-N 316.170 2.418 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@@]2(C)CO)cc1Br 1947986625 WNDDIAPPDGECDN-RNCFNFMXSA-N 300.196 2.464 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(N)cc1 1984415718 RFSRRULTNMIGMG-GWCFXTLKSA-N 320.393 2.304 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985102382 GGFQSSFUCUFZSZ-UEKVPHQBSA-N 321.381 2.201 10 10 DECE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccn(Cc2ccccc2)n1 1992793618 IFYITNZJBKUCSP-CQSZACIVSA-N 314.349 2.347 10 10 DECE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccnc1F 401853637 XQZQMQZUNLNTJT-UHFFFAOYSA-N 302.714 2.381 10 10 DECE NCc1ccc(N2C[C@H]3C[C@H](O)C[C@H]2C3)c(Br)c1 709895281 XJVHOJSRISLQPM-UTUOFQBUSA-N 311.223 2.257 10 10 DECE CCN(Cc1cccs1)C(=O)c1cnn2c(O)cc(C)nc12 2063386197 FUTRYSYHRVUZMC-UHFFFAOYSA-N 316.386 2.467 10 10 DECE Cc1cc(O)n2ncc(C(=O)N(CC3CCC3)CC3CC3)c2n1 2063870855 MRKSDEZMSYXKRB-UHFFFAOYSA-N 314.389 2.396 10 10 DECE Oc1cccc(Br)c1CN[C@H]1CCc2nccn2C1 858118494 DBRJPGYBHQTZLL-JTQLQIEISA-N 322.206 2.456 10 10 DECE NCC1(F)CCN(Cc2cc(Br)ccc2O)CC1 1222533364 VMEXYLYSLVJGJF-UHFFFAOYSA-N 317.202 2.418 10 10 DECE COC[C@@]12C[C@@H]1CN(c1ccc(CO)c(Br)c1)C2 2046794676 RWDJRKANKMZDGR-RISCZKNCSA-N 312.207 2.414 10 10 DECE CCN1C[C@H]2C[C@H]1CN2Cc1ccc(Br)cc1O 2067375040 MFGQAMBSDFPOKH-QWHCGFSZSA-N 311.223 2.433 10 10 DECE O=C(NC[C@]1(Br)CC1(F)F)c1ccc(O)c(O)c1 2082486867 NIQFNIFEYAPQBQ-SNVBAGLBSA-N 322.105 2.000 10 10 DECE CSc1ncc(CNC(=O)[C@]23CCCN[C@@H]2CCC3)s1 2284640984 OZKHXSLHAOJADA-BXUZGUMPSA-N 311.476 2.404 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CS[C@H](C)C2)s1 2322264713 BJRYBWYGCLTVQK-HQJQHLMTSA-N 304.462 2.303 10 10 DECE Cc1ccc(CN2C(=O)[C@H]3C[C@]3(C)C2=O)c(O)c1Br 2352664914 HTCAFAGFXPCLEO-OTYXRUKQSA-N 324.174 2.358 10 10 DECE CCC(CC)S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 174064909 YTCWVYCUSQDIHV-UHFFFAOYSA-N 312.435 2.470 10 10 DECE Cn1cc([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3O)C2)cn1 172055326 COKASDSJPMIWAF-LLVKDONJSA-N 302.334 2.023 10 10 DECE C[C@@H](CCNCc1cccc(Br)c1O)[S@](C)=O 129323676 LORBURSLYNZPNL-HUTHGQBESA-N 320.252 2.401 10 10 DECE CCCCN(CC)S(=O)(=O)CCOc1ccc(N)cc1 70490521 BANOUDLWRRKUQF-UHFFFAOYSA-N 300.424 2.099 10 10 DECE CN(CCn1cnc2ccsc2c1=O)Cc1ccccc1O 72629583 XIEPEXCOVUQBPV-UHFFFAOYSA-N 315.398 2.296 10 10 DECE Nc1ccc(Cc2nn3c([C@@H]4CCCO4)nnc3s2)cc1 133304261 KXNHMQYSJZVJMV-NSHDSACASA-N 301.375 2.210 10 10 DECE CN[C@H](C)c1ccc(N2CCN3C(=O)CC[C@H]3C2)cc1Cl 228053416 RWRVYTJAOMXQSC-YPMHNXCESA-N 307.825 2.431 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2cccn(C)c2=O)cc1 264268630 WBOLLCMGHKYNHL-UHFFFAOYSA-N 313.401 2.162 10 10 DECE CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 827544967 PVTVXHYCKZOEBP-AWEZNQCLSA-N 322.428 2.079 10 10 DECE CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCCC1 835025625 LMRXJVJUFYPEFK-VOTSOKGWSA-N 301.434 2.320 10 10 DECE CN(C)c1ccc(CN2CC(C)(C(N)=O)C2)c(C(F)(F)F)c1 843416808 YMQWPGWOLFDQSN-UHFFFAOYSA-N 315.339 2.079 10 10 DECE CN1CCN(c2ccc(CN[C@@H]3CCC[C@H](CO)C3)cc2)CC1 840978334 NIRYUWRLJPCVEC-ZWKOTPCHSA-N 317.477 2.079 10 10 DECE COC(=O)COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1 848903206 YXVCNBIITPYPGM-UHFFFAOYSA-N 323.780 2.262 10 10 DECE O=C(NCc1cc(Br)ccc1O)O[C@@H]1CCOC1 915602489 ABNGBJQWOZBYOC-SNVBAGLBSA-N 316.151 2.170 10 10 DECE CCO[C@H]1[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1C 912293522 ZHQLRCHTQMAVFY-UTJXIGIESA-N 318.417 2.061 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC(C)(C)C1 847398469 BHGYHHMFFFNYGJ-UHFFFAOYSA-N 303.450 2.443 10 10 DECE CC[C@H](C)C[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC 843938324 DJDFMXBCRBSMFF-JOYOIKCWSA-N 309.362 2.114 10 10 DECE Cc1cc(CN[C@@H]2CCOC23CCOCC3)ccc1N(C)C 925434776 MHICNTRNOBOCNR-QGZVFWFLSA-N 304.434 2.489 10 10 DECE COC(=O)C1=CC[C@H](N[C@@H](C)c2cc(C(=O)OC)ccc2O)C1 858473455 OHDNQWHFQJRWDR-GWCFXTLKSA-N 319.357 2.091 10 10 DECE CN(C)c1ccc(CNC(=O)C(C)(C)c2cnc[nH]2)cc1F 857085778 IVPFUTRTMNWCFP-UHFFFAOYSA-N 304.369 2.209 10 10 DECE COc1cc(O)c(CN2CCO[C@](C)(C3CC3)C2)cc1OC 853529434 WGFTYTKEPYBPOL-KRWDZBQOSA-N 307.390 2.410 10 10 DECE C[C@@H]1CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CS1(=O)=O 850371044 TXZZYXQTJARHKL-ATQQARJTSA-N 322.474 2.321 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)NC1 861686221 WEQMWZXMVXILOW-HOCLYGCPSA-N 318.465 2.425 10 10 DECE C[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccccc1O 867836366 PYSVQWQVGGVVOI-VHSXEESVSA-N 305.346 2.418 10 10 DECE CN(C)c1ccc(CNC(=O)CCN(C)c2ccncc2)cc1 779472986 CKOHERDILWNWQQ-UHFFFAOYSA-N 312.417 2.290 10 10 DECE CNc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc1 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10 10 DECE COC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 1557385953 MYCRKKKRRDFRSH-UHFFFAOYSA-N 320.732 2.157 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(C(F)(F)F)ccn1 1639292630 KVMVQLMWDPUSHS-UHFFFAOYSA-N 312.247 2.442 10 10 DECE COc1ccccc1CN(OC)C(=O)Cc1ccc(O)c(O)c1 1642033933 GOQQBSKIEANFMG-UHFFFAOYSA-N 317.341 2.239 10 10 DECE C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1O 1642824103 GUAGYOHUSQGLGA-LLVKDONJSA-N 319.382 2.287 10 10 DECE Cc1ccccc1OCCC(=O)NCc1ccc(O)cc1O 1643100672 GQGPZZDXHXBGOV-UHFFFAOYSA-N 301.342 2.492 10 10 DECE [N-]=[N+]=NC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1912207828 PZAFCWFZPSFFHD-UHFFFAOYSA-N 302.306 2.428 10 10 DECE CC(C)(O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 154421806 BYVRPOKOMHSKHY-QGZVFWFLSA-N 304.434 2.259 10 10 DECE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccccc1C(=O)O 1860078021 HHHNKSJBNVVWIA-SNVBAGLBSA-N 300.314 2.373 10 10 DECE Nc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 11864906 GBWIKEPUEQMEJJ-UHFFFAOYSA-N 312.778 2.106 10 10 DECE CC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1920533988 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O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CC2(CCC2)CO1 924115915 OTIGBZXPGTYZLE-HSBHDXMMSA-N 303.358 2.186 10 10 DECE CC[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1CC(F)F 766247597 MIARMUZFVIBIOT-SECBINFHSA-N 304.362 2.255 10 10 DECE COCCN(CCF)c1ccc(CN)cc1Br 697291256 WOTXPDXMDRDBLM-UHFFFAOYSA-N 305.191 2.330 10 10 DECE COC(=O)[C@]1(OC)CCN(Cc2cc(Cl)c(C)cc2O)C1 862475817 YDOUPKAFADYFND-HNNXBMFYSA-N 313.781 2.118 10 10 DECE COC(=O)c1ccc(C(=O)NCc2ccccc2O)cc1F 769000064 AVLCSEDSGFHIEK-UHFFFAOYSA-N 303.289 2.248 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H](CO)c2ccsc2)cc1 769955663 JXDXNOIHUYGRGX-OAHLLOKOSA-N 319.430 2.347 10 10 DECE CC(C)COc1ccccc1NC[C@@H](O)CC1(O)CCOCC1 872213030 VHVPBWFZYPHCEQ-HNNXBMFYSA-N 323.433 2.426 10 10 DECE COC(=O)c1cc(OCCO[C@H]2CC2(F)F)ccc1N(C)C 871793710 CNENNTZCAZLSPZ-ZDUSSCGKSA-N 315.316 2.342 10 10 DECE O=C(COC(=O)c1c(O)cc(F)cc1F)c1ccc(O)c(O)c1 783262929 DWJYBQBZCVHAEC-UHFFFAOYSA-N 324.235 2.121 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 1882249472 JNFHXDMFXDIFDP-CYBMUJFWSA-N 317.349 2.214 10 10 DECE C[C@H]1N(Cc2ccccc2)CC[C@@]1(NCCN=[N+]=[N-])C(=O)O 390781361 RAHGDUIBCSPORD-DOMZBBRYSA-N 303.366 2.004 10 10 DECE Cc1noc(CCNCc2cc(Br)ccc2O)n1 105469486 BTYYIYGBZSKTCE-UHFFFAOYSA-N 312.167 2.178 10 10 DECE C[C@H](OCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1176748634 YDKJHNAEAVIFRP-LBPRGKRZSA-N 301.342 2.319 10 10 DECE O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(O)c1O 1263895954 KWVBWIDPQOFVMN-MWLCHTKSSA-N 319.279 2.214 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCc1nc(C)no1 1297562565 MLTGSPQGWJXFNH-UHFFFAOYSA-N 324.377 2.208 10 10 DECE Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(O)cc1O 1451765291 WTYFPVAKHZAZLP-UHFFFAOYSA-N 302.286 2.244 10 10 DECE O=C(COc1ccc(Cl)cc1)NCc1cccc(O)c1O 1471642879 AWVALDWXGKBLOE-UHFFFAOYSA-N 307.733 2.446 10 10 DECE COc1cccc(CNC(=O)c2cnc3cccc(C)n23)c1O 1622779551 ROBXUWGDPQWKKW-UHFFFAOYSA-N 311.341 2.287 10 10 DECE C[C@]1(C(=O)NCc2c(O)cccc2O)CCOc2ccccc21 1635847102 HPKVPRSTUBZTJX-SFHVURJKSA-N 313.353 2.454 10 10 DECE O=C(NCc1cc(Cl)cc(Cl)c1O)c1nsnc1O 1638306349 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CC(C)NCc1cnc(Sc2nnnn2CC(F)F)s1 2234019785 MUNBIKHMUARFFP-UHFFFAOYSA-N 320.394 2.044 10 10 DECE CN[C@@H]1CCC2(C[C@H]1Oc1ccc(N(C)C)cc1)OCCO2 2229371246 XPVPNOMOTNRWCB-HZPDHXFCSA-N 306.406 2.015 10 10 DECE COC(=O)c1cccnc1CNCc1cnc(SC)s1 2284498023 LCYNQBOWLIACNI-UHFFFAOYSA-N 309.416 2.336 10 10 DECE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CCCO 2294874722 QSHZLJJNIQDNKN-UHFFFAOYSA-N 324.383 2.178 10 10 DECE CN(CCNC(=O)C=Cc1ccc(O)c(O)c1)c1ccccc1 2307982242 VKNAFXANKHFSAM-UHFFFAOYSA-N 312.369 2.364 10 10 DECE Cc1ccccc1[C@@H](O)CNC(=O)C=Cc1ccc(O)c(O)c1 2307989781 JRZVEDNJNAZWBG-KRWDZBQOSA-N 313.353 2.269 10 10 DECE C[C@@H](O)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2323701542 WEDORUOEOUPBAU-MRVPVSSYSA-N 324.383 2.177 10 10 DECE Cc1ccc(CN[C@H](C)C[S@](C)=O)c(O)c1Br 2307478301 WLAFJFATKFEUNP-XLFHBGCDSA-N 320.252 2.320 10 10 DECE Cn1cnc(Br)c1NCCOc1ccc(N)cc1 2315516463 AEOYPKROSPVMPM-UHFFFAOYSA-N 311.183 2.256 10 10 DECE COC(=O)c1sccc1NC(=O)COc1ccc(N)cc1 38055809 JEMNTBDQUMDGMQ-UHFFFAOYSA-N 306.343 2.134 10 10 DECE CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)cc1 90468447 QWHKMUBBMNPZAZ-CJNGLKHVSA-N 310.463 2.371 10 10 DECE Cc1cc(Cl)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1O 362044364 IOHBXTCEENEHOS-CQSZACIVSA-N 323.824 2.344 10 10 DECE Oc1cc(O)c([C@@H](CC(F)(F)F)N2CCOCC2)c(O)c1 575308133 OMHWGLMUUAKMBO-SECBINFHSA-N 307.268 2.129 10 10 DECE Cn1nc(CN2CCc3cc(CN)ccc32)cc1Br 2133392439 COXSATHBTSMSQJ-UHFFFAOYSA-N 321.222 2.204 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=S)NC[C@@H]2CCCO2)c1 728793381 RDWUOIZEXHNSHP-PWSUYJOCSA-N 310.419 2.105 10 10 DECE CCS(=O)(=O)C1(CNCc2ccc(N(C)C)cc2C)CC1 827580076 PLJCFKRFUMYFIW-UHFFFAOYSA-N 310.463 2.118 10 10 DECE CN(C)c1ccc(/C=C/CNCC(=O)NC2CCCC2)cc1 835035377 CEZDZVFXXIYOIE-AATRIKPKSA-N 301.434 2.414 10 10 DECE CCc1nccn1[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1 843833598 WMMZACDHMRGFJG-LBPRGKRZSA-N 317.389 2.167 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3CCC[C@H](C2)N3)c1O 843103555 BFKSVEHKQPLZFB-TXEJJXNPSA-N 311.769 2.280 10 10 DECE 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C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(N(C)C)cc1 790833248 ATLUAKRLORJGQM-CQSZACIVSA-N 316.449 2.303 10 10 DECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cn(C)nn2)c1 1153216452 BGYQQIMDUUXYPS-UHFFFAOYSA-N 323.356 2.287 10 10 DECE c1ccc(CNC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)nc1 76439904 HOGZQCLSOPQLNS-AWEZNQCLSA-N 311.385 2.426 10 10 DECE CC(=O)c1cc(C(=O)NCc2cccc(O)c2O)c(C)nc1C 1176565710 OJKYESGCXJORKN-UHFFFAOYSA-N 314.341 2.242 10 10 DECE COc1ccc2c(c1)[C@H](C(=O)NCc1c(O)cccc1O)CC2 1178910380 DKVLCGPMTSMZBD-CYBMUJFWSA-N 313.353 2.453 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@]12CCCC[C@@H]1C2 1336193116 ZXCXHAPJEXTTNK-RDTXWAMCSA-N 316.401 2.047 10 10 DECE CN(C)CCc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1469160429 FOKMYRSYZQHFKB-UHFFFAOYSA-N 314.385 2.132 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)Nc1ccnc(O)c1[N+](=O)[O-] 1472755341 UQTDSOQGXQDLSU-MRVPVSSYSA-N 305.290 2.150 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC23CC3)cc1C 1715948857 OPTYBEWBKAKDCY-HIFRSBDPSA-N 302.418 2.398 10 10 DECE CC(C)CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1731640911 ZVEKVJFLHGXYRK-NSHDSACASA-N 305.382 2.213 10 10 DECE CCOC(=O)CCCN(CC(=O)OCC)Cc1ccccc1O 1654805878 GTDRCRDIDWBJHE-UHFFFAOYSA-N 323.389 2.101 10 10 DECE COc1sccc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 1912195288 DTVFTMXGPCGWBM-QMMMGPOBSA-N 302.381 2.220 10 10 DECE C[C@H]1SC(=S)N(Cc2nnc(-c3ccccc3)o2)C1=O 11635535 AOYNVWYOGHUTOP-MRVPVSSYSA-N 305.384 2.485 10 10 DECE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(N)ccc2O)C1 1977888903 VXLFVVLRYPOXJZ-CQSZACIVSA-N 321.421 2.416 10 10 DECE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCN=[N+]=[N-] 1985100609 IDJWTHVRJFBFBH-BJDJZHNGSA-N 323.397 2.352 10 10 DECE C[C@H]1[C@H](NCCc2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C 1985753454 RVAVTVPCSNFWDW-WCQYABFASA-N 322.405 2.238 10 10 DECE CCN[C@@H](C)c1ccc(N(C)CC(CO)CO)cc1Cl 2150418878 MDMOXKBRPLESMU-NSHDSACASA-N 300.830 2.048 10 10 DECE COCCNCc1ccc(N(C)CC(C)(C)O)c(Cl)c1 164148093 NREZOCNHIDAVCA-UHFFFAOYSA-N 300.830 2.283 10 10 DECE 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2.144 10 10 DECE CCOc1cc(CNCC(=O)O)ccc1N1CCC[C@H](C)C1 212709354 LJSWXMYDHXFGRW-ZDUSSCGKSA-N 306.406 2.496 10 10 DECE COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CCCO2)cc1C 1495613193 RJSXPVHKINEMES-GUYCJALGSA-N 320.433 2.025 10 10 DECE CC(C)CN1CCC(C(=O)NCc2c(O)cccc2O)CC1 1639292582 IWMJOVXMSWYXFH-UHFFFAOYSA-N 306.406 2.082 10 10 DECE O=C1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2N1 1631125393 ZUPOJDPOIFYUBX-SOFGYWHQSA-N 324.336 2.092 10 10 DECE CS(=O)(=O)[C@@H]1CCC[C@H](N2CCC[C@H](CN=[N+]=[N-])C2)C1 1912187584 INOOUVNHKVRHOY-FRRDWIJNSA-N 300.428 2.365 10 10 DECE CS(=O)(=O)c1ccsc1CNCc1cc(F)ccc1O 1912409092 CCRKKMOKMWITFM-UHFFFAOYSA-N 315.391 2.286 10 10 DECE CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C[C@H]1O 2130816021 CTYNEWDBGIRDLV-MVWJERBFSA-N 306.189 2.327 10 10 DECE COC[C@@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928476711 MDFPWZZVGKIOMM-XJKSGUPXSA-N 310.394 2.322 10 10 DECE COc1ccc([C@](C)(NC(=O)OC(C)(C)C)C(=O)O)c(O)c1 1951737087 SUHKJKGSHSTLKI-HNNXBMFYSA-N 311.334 2.225 10 10 DECE Oc1ccc(I)cc1[C@H]1C[C@H](F)CN1 1952876061 BGSKBRKYWXXSOX-IMTBSYHQSA-N 307.106 2.369 10 10 DECE COc1ccc(N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c(N)c1 1981857935 YASDMRBNUHGYNG-TXEJJXNPSA-N 319.405 2.475 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1985103747 ZXJGNUPOOSFYCW-NWDGAFQWSA-N 321.381 2.463 10 10 DECE CN[C@@H](c1ccccc1O)C1(CNC(=O)OC(C)(C)C)COC1 1987699836 XDUBGFWQCUIFBB-AWEZNQCLSA-N 322.405 2.194 10 10 DECE Cc1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)sc1Br 2023670060 GJNNOQTZPBCJNL-SSDOTTSWSA-N 318.200 2.245 10 10 DECE NC(=O)C1(NCc2cccc(Br)c2O)CCCC1 2036955633 XKVRWDZXVCLFCO-UHFFFAOYSA-N 313.195 2.042 10 10 DECE Oc1ccc(Br)cc1CNCc1cnns1 400212566 CMYCUTDTHIBASM-UHFFFAOYSA-N 300.181 2.296 10 10 DECE Cc1cc(C)c(S(=O)(=O)NCc2cc(N)ccc2O)s1 380332546 RYLNJFNGVAKLQD-UHFFFAOYSA-N 312.416 2.131 10 10 DECE C[C@H](C[S@](C)=O)N(C)c1ccc(CN)cc1Br 399222014 CKIOLGVTCJNJBM-XLFHBGCDSA-N 319.268 2.111 10 10 DECE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(C(N)=O)c2N)c(O)c1 2079033239 RKFKIWSRRUEGIL-JTQLQIEISA-N 316.405 2.485 10 10 DECE O=C(NCc1ccccc1O)c1cnccc1Br 1189588436 LZYXONPQCUXQPK-UHFFFAOYSA-N 307.147 2.480 10 10 DECE CN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)o1 2096467827 PMJHKXNZTCAHFP-UHFFFAOYSA-N 300.767 2.336 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2203361452 AAAOGHYLBCIERZ-WDEREUQCSA-N 317.838 2.473 10 10 DECE CSc1ncc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)s1 2284502131 WDVLIQVQPYIKFX-VHSXEESVSA-N 312.416 2.148 10 10 DECE Cc1ccc(CN(C)CC2(O)CC2)c(O)c1Br 2307570354 KEDFTQBTAAHFBG-UHFFFAOYSA-N 300.196 2.420 10 10 DECE Cc1ccc(CN=c2cc(F)n(C)[nH]2)c(O)c1Br 2327613023 RBNDCEBSWYOIKE-UHFFFAOYSA-N 314.158 2.370 10 10 DECE CCCN1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 181000871 DIKGRCOLAIMLDF-GQCTYLIASA-N 318.417 2.349 10 10 DECE COc1cc(Cl)cc(CN2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1O 252876187 WYJSISNHGPDXGH-TUAOUCFPSA-N 311.765 2.492 10 10 DECE Cc1cc(Cl)cc(CN2CCOC[C@@H]2c2ncon2)c1O 374830021 WNWQBVBJAXUDLU-GFCCVEGCSA-N 309.753 2.311 10 10 DECE C[C@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Cl)c1 2167826382 QNDRWLSEAJRTDW-JTQLQIEISA-N 316.854 2.373 10 10 DECE Nc1ccc(CS(=O)(=O)NCC2(F)CCCCC2)cc1 2165910575 QCPDCTIACWCFDZ-UHFFFAOYSA-N 300.399 2.361 10 10 DECE Cc1cnn(C)c1NC(=O)NCc1ccc(N2CC=CC2)cc1 824392797 FEVNLPXMKYMSDA-UHFFFAOYSA-N 311.389 2.426 10 10 DECE N[C@H](CC(F)F)CN(Cc1ccccc1O)C[C@@H]1CCCO1 903905479 GTZGMJAIATUQMA-KGLIPLIRSA-N 314.376 2.356 10 10 DECE Oc1ccc([C@H]2C[C@@H](c3ccc(O)c(O)c3)[C@H](O)CO2)cc1 64633455 KTBMETYOQLNVNV-IAOVAPTHSA-N 302.326 2.410 10 10 DECE in-vitro CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2CS3)cc1F 838029483 OQLQZDYAYOQTTN-RYUDHWBXSA-N 309.410 2.291 10 10 DECE COC(=O)c1ccc(CN2CCCc3cc(CN)ccc32)nc1 843349805 DHNGYTZVCMVVSY-UHFFFAOYSA-N 311.385 2.280 10 10 DECE Cn1nccc1[C@H]1COCCN1Cc1c(O)ccc2ccncc12 844755633 KYESCGXKDXOLTK-QGZVFWFLSA-N 324.384 2.247 10 10 DECE Cc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c(O)c1O 848266508 GRSPZAQJNLOHFV-UONOGXRCSA-N 305.374 2.484 10 10 DECE C[C@@H]1C[C@@H](NCCN2CCC(N)CC2)c2c(O)ccc(F)c21 925811303 HXMWKJAPOJGULZ-BXUZGUMPSA-N 307.413 2.092 10 10 DECE CCOCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 855226817 SNFYAVPMMOAJLJ-CQSZACIVSA-N 318.417 2.207 10 10 DECE CCN(CC)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1F 757927701 JEPYDJVCAPPPMR-MRXNPFEDSA-N 321.440 2.188 10 10 DECE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnnc1 926726289 ZSSCXLZRGZVDFS-CQSZACIVSA-N 312.417 2.289 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)on3)C2)cc1 853817474 GRZCCZSBNHGGLU-GFCCVEGCSA-N 316.361 2.392 10 10 DECE CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc3c(c2)CCO3)C1 850353447 DAFSSIBPNFXHRY-UAGQMJEPSA-N 305.418 2.277 10 10 DECE C[C@@H]1OCC[C@H]1N(CCO)Cc1cc(F)c(N(C)C)cc1F 862387642 PFIPGGJYAZDYCX-XHDPSFHLSA-N 314.376 2.003 10 10 DECE CCOC(=O)C1=CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 868806352 AJSUTWQFEDSJMB-DGCLKSJQSA-N 318.373 2.404 10 10 DECE COc1ccc(N2CC[C@H](CNC(=N)NCCC3CC3)C2)cc1 864468588 GSGPNJJZNPNZAR-OAHLLOKOSA-N 316.449 2.436 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCN3C)C2)c1O 879571550 BQXPXDKDCDNYGR-LRDDRELGSA-N 306.381 2.260 10 10 DECE C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)cc(F)c1O 775648844 GNLGQARIJKLXKB-RKDXNWHRSA-N 300.761 2.271 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 897935744 GHKMIXKJGPTGKJ-ALYAQQCSSA-N 315.417 2.070 10 10 DECE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(CO)CC1 898675350 PJZNKJJKPTYCOB-MRVPVSSYSA-N 307.371 2.203 10 10 DECE COc1cc(C)cc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1O 895238098 VLALWODVBQRYBE-VNQPRFMTSA-N 323.433 2.365 10 10 DECE C[C@H](NC(=O)C1=C[S@@](=O)CCC1)c1ccc(N(C)C)cc1 1154668947 NDBOXNGEXZMWHI-QKVFXAPYSA-N 306.431 2.356 10 10 DECE CN(CP(C)(C)=O)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 1899558300 JHCRJWXOTIHRSE-NSHDSACASA-N 302.698 2.342 10 10 DECE C[C@H](C(=O)NCc1c(O)cccc1O)c1cccc([N+](=O)[O-])c1 1156885590 KWUYVHDDWORJPK-JTQLQIEISA-N 316.313 2.426 10 10 DECE O=C(/C=C\c1ccnc(Cl)c1)NCc1cc(O)ccc1O 1303225170 AHRFMPLWOFQSRX-RJRFIUFISA-N 304.733 2.476 10 10 DECE C[C@@H]1[C@H]2CNC[C@@H]2CN1Cc1c(O)cccc1Br 706871973 USDFXLHVBYGBMX-GMTAPVOTSA-N 311.223 2.194 10 10 DECE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCCCCCC1 1261855399 SNNJCLBGVFAICZ-UHFFFAOYSA-N 302.374 2.027 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@]1([C@H]2CCCCO2)CCCO1 1263767386 UJYOEYLXQXPUOY-SJLPKXTDSA-N 319.401 2.469 10 10 DECE O=C1CC(CS(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 2116719995 UWXGTXFPJAEWBE-UHFFFAOYSA-N 324.185 2.420 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1nnc(C(F)F)s1 1464427345 ZKSRCUNEKJQASK-UHFFFAOYSA-N 301.274 2.068 10 10 DECE C[S@@](=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1628530337 OBJJHRVMTKIJBV-OAQYLSRUSA-N 305.355 2.016 10 10 DECE CN(C)S(=O)(=O)c1ccc(N)c(Sc2nccs2)c1 214835374 MEQAWYBDDCTWRF-UHFFFAOYSA-N 315.445 2.127 10 10 DECE CC(C)CN(C(=O)c1cccc(O)c1O)C1CCN(C)CC1 1565610976 OTINMIABBCTZIS-UHFFFAOYSA-N 306.406 2.290 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(F)ccc1[N+](=O)[O-] 1639444659 USPKSQGUARCIMD-UHFFFAOYSA-N 306.249 2.075 10 10 DECE CN1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1=O 1652708502 FEXSWJTZDZXYCV-CQSZACIVSA-N 312.369 2.030 10 10 DECE Nc1ccc(CC(=O)NCCC(=O)OCc2ccccc2)cc1 163212990 HRPKOWZZTYXTOD-UHFFFAOYSA-N 312.369 2.061 10 10 DECE O=S1(=O)CCC[C@H]1CCNCc1ccc(Cl)cc1O 1665552908 UQYRMUJOOAEVMS-LBPRGKRZSA-N 303.811 2.103 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)CC1(O)CC1 1951940327 JVTPUQCLBFXIAY-GFCCVEGCSA-N 323.389 2.449 10 10 DECE CN1C[C@H](N)C[C@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1952567837 QARWOEGLSHUMEQ-MFKMUULPSA-N 307.394 2.443 10 10 DECE Oc1c(Br)cccc1CNC1CN(CC(F)F)C1 1970964315 OVGBUIVKLIXERP-UHFFFAOYSA-N 321.165 2.194 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1985102335 FRWCHIOPNCOIJT-NSHDSACASA-N 321.381 2.369 10 10 DECE N=C(C[C@@H](O)CNc1ccccc1OCc1ccccc1)NO 1994421362 ZPLBKGJLDBALTC-CQSZACIVSA-N 315.373 2.385 10 10 DECE OCc1ccc(N2C[C@@H](O)CC23CCC3)cc1Br 2038055606 AYOZYUNZOFJORB-LBPRGKRZSA-N 312.207 2.435 10 10 DECE CNCc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)cc1Cl 2160756201 KSVHYYMHZJRHGP-NSHDSACASA-N 318.870 2.319 10 10 DECE C[C@H](CCS(C)(=O)=O)N(C)[C@H](C)c1cc(F)ccc1O 2160752674 ZLXMDCJBDWJCGD-GHMZBOCLSA-N 303.399 2.347 10 10 DECE C[C@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Cl)c1 2173195507 PYKSJKFCKLPQBP-JTQLQIEISA-N 317.838 2.264 10 10 DECE Cc1ccc2c(c1)CN(C(=O)c1cnn3c(O)cc(C)nc13)CC2 2064147470 SYXXAZNMQCGJSG-UHFFFAOYSA-N 322.368 2.250 10 10 DECE OCc1ccc(N2CC[C@H]2c2ncon2)c(Br)c1 2042318557 VCOZVEXMRQVZKC-NSHDSACASA-N 310.151 2.276 10 10 DECE CN(C)c1ccc([C@H](N)c2cc(Br)n(C)n2)cc1 2044710898 MLWSHJLUXCXFHB-ZDUSSCGKSA-N 309.211 2.297 10 10 DECE C[C@@H](O)c1cc(F)c(N2CC[S@@](=O)C(C)(C)C2)c(F)c1 2194517502 YUEOIOMGEMGCMW-GSDQLPOLSA-N 303.374 2.365 10 10 DECE CC[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1CO 2084990626 YKWCLJZWNQGUBM-ZYHUDNBSSA-N 313.239 2.363 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ncncc1Br 2218745092 OSJUBDPUYFDEIF-SFYZADRCSA-N 311.143 2.200 10 10 DECE Nc1ccc(CCC(=O)Nc2ncncc2Br)cc1 2230125324 WPFCORATQXWLGN-UHFFFAOYSA-N 321.178 2.393 10 10 DECE C[C@]1(C(=O)O)C=CCN1Cc1ccc(Br)cc1O 2221465163 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CON1CCN(Cc2ccc(C)c(Br)c2O)CC1 2327599861 PGZFMDXNCVQYIL-UHFFFAOYSA-N 315.211 2.142 10 10 DECE Cc1ccc(CN2C[C@H](CN)[C@@H](C)C2)c(O)c1Br 2327619899 YPOKSEFXJFXWPA-JQWIXIFHSA-N 313.239 2.490 10 10 DECE Cc1ccc(CN(C)C(=O)CCCO)c(O)c1Br 2327789994 PSUVEUHZGBZIGU-UHFFFAOYSA-N 316.195 2.194 10 10 DECE COC(C)(C)[C@@](CO)(CSc1nccs1)NC(C)C 2340726912 DIWRVNRYSDDJNE-CYBMUJFWSA-N 304.481 2.389 10 10 DECE CCOCCN1CCN(Cc2ccc(OC)cc2O)C[C@@H]1CC 121018592 IKOOPNRWZYCBFF-INIZCTEOSA-N 322.449 2.334 10 10 DECE CN(C)CCn1cc2c(c1)C(=O)c1c(Cl)cccc1C2=O 39429714 OHVYSMFCYKJUJY-UHFFFAOYSA-N 302.761 2.479 10 10 DECE Cc1noc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)C)n1 181071969 JCZZRONKMLAKQX-KEDPEKRHSA-N 317.345 2.316 10 10 DECE C[C@@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 277437482 SCRJLXWYKXWMBL-ZJUUUORDSA-N 308.765 2.466 10 10 DECE CC(C)[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807272390 IHAXYWJMGQRHIT-ZIAGYGMSSA-N 319.449 2.338 10 10 DECE Nc1ccc(S(=O)(=O)NCc2ccccc2O)cc1Cl 722214983 QXPOPCWDHGZUKW-UHFFFAOYSA-N 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324.384 2.329 10 10 DECE O=C([C@@H]1CCN(CC(F)(F)F)C1)N1Cc2cccc(O)c2C1 871204859 QQQMSMSHRIQCQQ-LLVKDONJSA-N 314.307 2.119 10 10 DECE Cc1ccccc1CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 776433352 RNWYVCWBFJQVRR-UHFFFAOYSA-N 321.354 2.341 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2C[C@H](OC)CC[C@H]2C)c1O 895927083 LVJSQGABOUWFLF-ZYHUDNBSSA-N 310.350 2.308 10 10 DECE C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(O)c(O)c2)C1 1136259242 RCLCXIRMQDBKDL-ZIAGYGMSSA-N 320.433 2.125 10 10 DECE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@]2(CCOC2)O1 794704805 NSNBLSIWJSCWEA-FZKQIMNGSA-N 303.402 2.261 10 10 DECE CC(C)(C)c1ncc(C(=O)NCc2c(O)cccc2O)cn1 1156885246 AUZLFCQCCHDQLS-UHFFFAOYSA-N 301.346 2.115 10 10 DECE O=C(Nc1cccc2nc(O)[nH]c12)c1c(F)ccc(O)c1O 1306853157 MLBXDJANNSZBRV-UHFFFAOYSA-N 303.249 2.071 10 10 DECE C[C@H]1CN(C)CCN1c1cc(Br)c(CN)cc1F 393982913 GKXGIDMPDNYYSG-VIFPVBQESA-N 316.218 2.187 10 10 DECE CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 1324447626 MUDFNXIVWXBJFG-GDBMZVCRSA-N 305.422 2.428 10 10 DECE 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CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cc([N+](=O)[O-])ccc1O 1952307965 GIQHXVKYFFYSTD-YPMHNXCESA-N 323.349 2.310 10 10 DECE COc1cccc(O)c1[C@]1(NC(=O)OC(C)(C)C)C[C@H]1C(=O)O 1952757129 MNJWTEFSCLUVCE-FVMDXXJSSA-N 323.345 2.225 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)CC3CSC3)C2)cc1 869227920 DDCFZOOIFXIQBQ-ZDUSSCGKSA-N 306.431 2.143 10 10 DECE COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@@H]3COC[C@H]3O1)CCC2 930721807 JTGSPTVRZCHHCT-UKPHBRMFSA-N 319.401 2.260 10 10 DECE CCOc1cccc(CN[C@@H](COC)[C@@H]2CCCOC2)c1O 886360465 WPIXKEJLWMNUGH-CABCVRRESA-N 309.406 2.322 10 10 DECE Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@]2(O)C1 895644475 AVNOHQLUZDGMFX-UFBFGSQYSA-N 318.598 2.375 10 10 DECE CCOc1cccc(CN2C[C@H](O)CC3(CCOCC3)C2)c1O 895722624 YAWOLOLSNWRHMH-OAHLLOKOSA-N 321.417 2.154 10 10 DECE CC(C)C[C@@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 897077721 OJRMEUFNHPSKOG-SNVBAGLBSA-N 309.387 2.449 10 10 DECE Cc1cnn(CCNCc2cc(Br)ccc2O)c1 105908548 IKAXPWWGXPRFNL-UHFFFAOYSA-N 310.195 2.449 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Cl 688545807 ABMWRJMVNQHWPH-GHMZBOCLSA-N 318.870 2.490 10 10 DECE O=C(O)CC1CN(Cc2ccc(Br)cc2O)C1 691412351 FWVLZADCJJSJCW-UHFFFAOYSA-N 300.152 2.061 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1cnc(Cl)nc1 693946035 GYPXOVAGQRSXSR-UHFFFAOYSA-N 320.157 2.290 10 10 DECE COc1cc(C)cc(CN(C)Cc2ccc(C(N)=O)cc2)c1O 1322987354 ZQVLWWKYUBGFIO-UHFFFAOYSA-N 314.385 2.440 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]12CCOC2 1325814911 OOTPPOQGXSSDSI-KRWDZBQOSA-N 303.406 2.135 10 10 DECE CO[C@@H](CNCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 1333308790 ZGWODQVDTYTAMB-WMZOPIPTSA-N 304.434 2.428 10 10 DECE N[C@H]1CC(CN2CCCc3cc(Br)ccc32)=C[C@H]1O 2131474808 MZVAWYNWYGUKCV-DZGCQCFKSA-N 323.234 2.220 10 10 DECE C[C@@H]1[C@H](O)CCN1c1ccc(CN)c(Br)c1F 1914283592 UQTOYWBJGBZCBI-GMSGAONNSA-N 303.175 2.006 10 10 DECE CCC(=O)N[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1472085906 CVGQBECDYSEBIF-NSHDSACASA-N 300.358 2.076 10 10 DECE Cc1csc2nc(CC(=O)NCc3c(O)cccc3F)cn12 1646033518 ADKWNFUNFNCVRD-UHFFFAOYSA-N 319.361 2.408 10 10 DECE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1noc(C)n1 1587664145 ZFXMKXPXOFPTQI-NSHDSACASA-N 316.321 2.422 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@](C)([C@H](N)c2ccccc2O)C1 1936988022 XYLPVYOLEWIRQG-PBHICJAKSA-N 322.405 2.418 10 10 DECE CCN[C@H](C)c1ccc(N(C)C[C@H](O)COC)c(Cl)c1 61697540 HMJKLEKMJWUAAG-YPMHNXCESA-N 300.830 2.454 10 10 DECE C[C@H](N)c1ccc(N2CC(N3CCC3)C2)c(Br)c1 2034797017 GZTDYSNPNVFBEG-JTQLQIEISA-N 310.239 2.363 10 10 DECE C[C@@H](c1ccc(F)cc1O)N1CCC(S(C)(=O)=O)CC1 312659553 GSMLPOHOKSKEIY-JTQLQIEISA-N 301.383 2.101 10 10 DECE C[C@H](c1ccc(F)cc1O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 2170657305 PHWMSAMCZPDFQX-GMTAPVOTSA-N 303.399 2.346 10 10 DECE CN(CCn1cccn1)c1ccc(CO)cc1Br 707645488 XJJGWYOQKQPTCF-UHFFFAOYSA-N 310.195 2.274 10 10 DECE Nc1ccc(CCC(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 715642193 OKCIZZOYWWLUBG-OAHLLOKOSA-N 304.390 2.003 10 10 DECE CC[C@H](CO)N(C)c1cc(Br)c(CN)cc1F 393927645 PBPIKPYUDSZEGC-SECBINFHSA-N 305.191 2.254 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCc4sccc4C3)c2n1 2062755217 FBFCMECNABUOKV-UHFFFAOYSA-N 314.370 2.003 10 10 DECE Oc1ccc(Br)cc1CN[C@]12COC[C@@H]1C2(F)F 2043607103 VUXZZUUCBQDWOF-WDEREUQCSA-N 320.133 2.278 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)cc1Br 2052053703 NEPGQDULXNRABQ-XHEDZOQISA-N 311.223 2.428 10 10 DECE C[C@H](c1ccc(Cl)cc1O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 2203363808 SJCIDODINQAKET-BFVZDQMLSA-N 315.822 2.226 10 10 DECE C[C@@H](CCN(C)C)NCc1cc(Br)c(O)cc1O 2256018265 XRBKDMYOZZFIRS-VIFPVBQESA-N 317.227 2.290 10 10 DECE OCCSCCNCc1cc(Br)cc(F)c1O 2299170712 OVOZFBCYVIYCGK-UHFFFAOYSA-N 324.215 2.109 10 10 DECE Cc1ccc(CN2C[C@@H]3C[C@@H](O)[C@H]2C3)c(O)c1Br 2327622836 AVTIJWIVMBORJW-MVWJERBFSA-N 312.207 2.418 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccc(Br)cn1 135325873 MJAPPLPNWAVVPU-VIFPVBQESA-N 314.143 2.260 10 10 DECE COc1cc(NC(=O)C(C)C)c(N2CCOCC2)cc1OC 20496254 RXGKNYBOBTWXCF-UHFFFAOYSA-N 308.378 2.135 10 10 DECE COc1cccc(CNC(=O)N[C@H]2COc3ccccc32)c1O 174441630 RFSHFBOLOSJFKO-ZDUSSCGKSA-N 314.341 2.334 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNc2nnc([C@@H]3CCCO3)o2)c1 181791808 HVEQDVIUIOKCGD-NSHDSACASA-N 306.278 2.147 10 10 DECE C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CCN1C 181118459 DBPFASWTNHEQDG-FROLJDDGSA-N 304.390 2.052 10 10 DECE Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 41129733 DIHMVEIDGUMTLG-CQSZACIVSA-N 311.385 2.042 10 10 DECE COc1ccc(N2CCN(Cc3ccnc(C#N)c3)CC2)cc1 320514193 ZHIVPSLSIRAXMS-UHFFFAOYSA-N 308.385 2.284 10 10 DECE Nc1ccc(OCC[S@](=O)c2ccccc2[N+](=O)[O-])cc1 40969473 PLMWSPQKHBYUFM-OAQYLSRUSA-N 306.343 2.364 10 10 DECE O=C(CN1C(=O)CSC1=S)Nc1cccc2cccnc12 82336697 ZCYJVSXUZXXXAZ-UHFFFAOYSA-N 317.395 2.034 10 10 DECE CNCc1ccc(N2CCC[C@H](CO)C2)cc1Br 234443608 SIXWWKALFAYAOT-NSHDSACASA-N 313.239 2.377 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 247032024 RFKOKMYAKARKQQ-ARFHVFGLSA-N 317.433 2.365 10 10 DECE Cc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(N)cc1 2162468887 NGVWNYXSFNXEBJ-UHFFFAOYSA-N 312.372 2.138 10 10 DECE C[C@@H](NC1CCC(N2CCNCC2)CC1)c1cc(F)ccc1O 817983626 OYBYIBRWWCQAFR-IUDNXUCKSA-N 321.440 2.398 10 10 DECE Cc1cc(O)c(CN[C@H]2CNCC3(CCOCC3)C2)cc1C 903972749 KZVFBZJNKBFWCT-MRXNPFEDSA-N 304.434 2.257 10 10 DECE COCCCOC1CN(Cc2cc(Cl)cc(OC)c2O)C1 839134951 WUPWRCDQKSMRFV-UHFFFAOYSA-N 315.797 2.292 10 10 DECE CN(C)[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C12CCC2 912599275 IJFQOZUPZXJBOP-JKWYKVDLSA-N 316.401 2.100 10 10 DECE COC(=O)c1cnc(SC[C@@H]2CN(C3CC3)C(=O)O2)s1 845318911 TVNDGXOOBRRZCS-QMMMGPOBSA-N 314.388 2.005 10 10 DECE Cc1cc(O)c(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(Cl)c1 840947856 OBSQLGYSDRHJNU-PHIMTYICSA-N 317.838 2.361 10 10 DECE COC[C@H]1CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 840482800 FWTCFXWUEFCDFK-RHSMWYFYSA-N 319.449 2.422 10 10 DECE CC(C)C[C@H](N)CN(C)Cc1ccc(N2CCOCC2)cc1 841004412 QMLMIYMGHDDLDV-KRWDZBQOSA-N 305.466 2.328 10 10 DECE CO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1 850054942 XWCUEXWZNGWXEE-INIZCTEOSA-N 322.357 2.419 10 10 DECE COCc1nc(C)c(C(=O)NCc2c(O)cccc2F)s1 928705872 OPMNPSPLWLVYQB-UHFFFAOYSA-N 310.350 2.373 10 10 DECE COc1cccc(O)c1[C@@]1(NC(=O)OC(C)(C)C)CCNC1 1952209873 ZTCIOJZVMUSFKZ-MRXNPFEDSA-N 308.378 2.114 10 10 DECE CCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 769471303 RZCONSZYMIUQAF-ZDUSSCGKSA-N 305.296 2.290 10 10 DECE C[C@H](NC(=O)NCC1(CCO)CC1)c1ccc(N(C)C)cc1 779661028 LRBYFCWBFBRTHM-ZDUSSCGKSA-N 305.422 2.275 10 10 DECE O=C(O)C1=C[C@H](c2c(O)ccc3ccccc23)NC(=S)N1 76260541 UAFAQOQDGAXSLK-SNVBAGLBSA-N 300.339 2.033 10 10 DECE CC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 794763787 KBRBYYUPCZTTGY-SJORKVTESA-N 318.417 2.159 10 10 DECE COc1cc(OC)c2c(c1)C(=O)[C@@H]1C[C@@](C)(OC)OC[C@H]1C2=O 198721715 XWDPPCCHTXTSRZ-QFSBIZTOSA-N 320.341 2.098 10 10 DECE NC(=O)[C@]1(NC2CC2)CCC[C@H]1CCSc1nccs1 93629922 QJTKERWUMPFJRL-HZMBPMFUSA-N 311.476 2.402 10 10 DECE CC[C@](O)(CC(=O)NCc1cc(O)ccc1O)c1ccccc1 1303225713 OBBAZCIGHOOEME-SFHVURJKSA-N 315.369 2.402 10 10 DECE Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1c(O)cccc1F 1335311859 NKCBWRSWXABLPX-SNVBAGLBSA-N 303.337 2.001 10 10 DECE COc1cccc(CNC(=O)c2cccc(SC)n2)c1O 1445972424 YBRBLFNMEGFNCJ-UHFFFAOYSA-N 304.371 2.448 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)OC(F)(F)O2 1445899441 DWFOITVEJHFBSM-UHFFFAOYSA-N 323.251 2.349 10 10 DECE c1cc2c(cc1CN[C@H]1CCCC[C@H]1N1CCOCC1)CCO2 1461285238 YHXAJUXXIZMRDF-ZWKOTPCHSA-N 316.445 2.355 10 10 DECE C[C@H]1[C@@H](O)CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1564597436 NEJUAFSOEXYBNI-WWGRRREGSA-N 305.422 2.368 10 10 DECE CN(C)c1ccnc(C(=O)NCc2cc(Cl)ccc2O)c1 1632224100 VCJCUUBGSVJQDX-UHFFFAOYSA-N 305.765 2.437 10 10 DECE CN(C)CCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1644753825 KXARZRKOYCBZJF-UHFFFAOYSA-N 314.385 2.132 10 10 DECE CCc1cccc(OCC(=O)NCc2cc(O)ccc2O)c1 1644752645 NSWLPSNNOOUOPN-UHFFFAOYSA-N 301.342 2.355 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)c2cn[nH]c2)cc1C 1570453996 NNJPMJKBLYRLQO-ZDUSSCGKSA-N 316.405 2.025 10 10 DECE CC(C)(C)OC(=O)NC1CN(C(=O)Nc2ccc(N)cc2)C1 1959518530 HLVMPEIKYCCLHY-UHFFFAOYSA-N 306.366 2.010 10 10 DECE COc1cc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)sn1 1652772001 HESLBZJLDGQLHJ-GQCTYLIASA-N 320.370 2.235 10 10 DECE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1586980371 WCNAYAYSBCIIDL-CQSZACIVSA-N 319.332 2.283 10 10 DECE CCCCNC(=O)CCCN1C(=O)[C@H](CC)SC1=S 11636387 SNPQDSDJXKDEQT-JTQLQIEISA-N 302.465 2.322 10 10 DECE Cc1cccc(CNC(=O)c2cnn(C)c2Br)c1O 2139763456 ZGGPWDMYPLJSOC-UHFFFAOYSA-N 324.178 2.127 10 10 DECE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cnc(C)s1 233481323 VBSIRWSPKUUXLX-UHFFFAOYSA-N 311.432 2.245 10 10 DECE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@H]2COC[C@H]21 1988231612 VCFJBTSVNSHQIN-LSDHHAIUSA-N 319.405 2.093 10 10 DECE CC1(C)C[C@H](NCc2cccc(Br)c2O)[C@@H]1O 1998369767 UQYUAGOGLOCDMH-JQWIXIFHSA-N 300.196 2.404 10 10 DECE CN[C@H](C)c1ccc(N(C)CCC(N)=O)c(Br)c1 723149616 HPHFYLXZZXJFOT-SECBINFHSA-N 314.227 2.041 10 10 DECE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])C(F)(F)C(F)(F)F 2182442801 OVQVVLPEUYQCGY-ZETCQYMHSA-N 304.219 2.406 10 10 DECE CN1CCN(c2ccc(CO)cc2Br)[C@H]2CC[C@H]21 2049405963 YEUMTFMBWCHEDE-KGLIPLIRSA-N 311.223 2.224 10 10 DECE CN(C)c1ccc([C@@H](NN)c2ccc(Br)cn2)cc1 2100911053 GYGYPCATCMFRRM-CQSZACIVSA-N 321.222 2.463 10 10 DECE CNCc1ccc(N2CC=C[C@@H]2CN(C)C)c(Br)c1 2230478781 MADYSLPMXDNHKY-CYBMUJFWSA-N 324.266 2.475 10 10 DECE CSc1ncc(CNC(=O)[C@H](C(=O)O)C(C)(C)C)s1 2269138017 MTGSYQOXMVFTNP-MRVPVSSYSA-N 302.421 2.228 10 10 DECE CCON(CCN)Cc1ccc(C)c(Br)c1O 2307565202 KNVUMPGGVBEVBL-UHFFFAOYSA-N 303.200 2.175 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)c(Br)c1 2309946622 NJZJVJZKKAQDPN-HZZFPTLFSA-N 312.207 2.462 10 10 DECE Cc1ccc(CN2CC(CC(=O)O)C2)c(O)c1Br 2327629035 NEDKEKLPPHWELG-UHFFFAOYSA-N 314.179 2.370 10 10 DECE Cc1ccc(CN2C[C@@H](O)C[C@H](F)C2)c(O)c1Br 2327628497 HQFBQJLEGHBDPZ-QWRGUYRKSA-N 318.186 2.368 10 10 DECE COC(=O)/C=C/c1ccc(N(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 112966769 GBSIMIFGVNQLQV-FUEXJSSKSA-N 306.318 2.006 10 10 DECE CCS(=O)(=O)CCN(C)Cc1cc(Cl)cc(C)c1O 180422748 CYWGTWMQBOZSSY-UHFFFAOYSA-N 305.827 2.221 10 10 DECE COC(=O)C(C)(C)[C@H](N)c1c(O)cccc1Br 1952005587 OARUCOKIDPPUMP-SNVBAGLBSA-N 302.168 2.354 10 10 DECE Cc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)c(O)c1O 182562254 ZVILWXUUHSCSSS-ZDUSSCGKSA-N 315.373 2.216 10 10 DECE COc1cc(Br)cc(CN(C)[C@H]2CCOC2)c1O 132040219 NORBAMARSLGUNJ-NSHDSACASA-N 316.195 2.384 10 10 DECE NC(=O)c1cncc(NCc2cc(Cl)cc(Cl)c2O)n1 808087072 NXXIRIVYOKQWIY-UHFFFAOYSA-N 313.144 2.200 10 10 DECE O=C(Cn1ccnc1)NCc1cc(Cl)cc(Cl)c1O 812576055 RWVQRZYWMVCJPX-UHFFFAOYSA-N 300.145 2.212 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)NC1COCCOC1 813817987 IMNYDYXVBHATTB-UHFFFAOYSA-N 322.405 2.119 10 10 DECE COc1cc([N+](=O)[O-])cc([C@H]2NC(=O)O[C@H]2C2CCC2)c1O 575259525 HLDYAKAGHDABBL-YPMHNXCESA-N 308.290 2.259 10 10 DECE CCNC(=O)C1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 826114150 VSUJERDJKXXKSM-UHFFFAOYSA-N 320.433 2.266 10 10 DECE CN(C(=O)c1cc(O)cs1)[C@H]1CCN(c2ccccc2)C1=O 738538227 IKAMCUUPAONFGP-ZDUSSCGKSA-N 316.382 2.331 10 10 DECE O=C(NCC1=CCOCC1)NCc1ccc(N2CCCC2)cc1 836244488 SGQWNPXIDDCNLW-UHFFFAOYSA-N 315.417 2.433 10 10 DECE O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cc(O)cs1 734026465 SBLCBWCLGKQTEX-ZDUSSCGKSA-N 316.382 2.379 10 10 DECE CC(C)(C)C1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 841039271 HVABMVMFPHASAC-UHFFFAOYSA-N 303.406 2.492 10 10 DECE CCOc1ccc(N(CC)C[C@H](O)COC[C@H]2CCCO2)cc1 747683201 SWQWEVXXXZKTFE-FUHWJXTLSA-N 323.433 2.468 10 10 DECE O=C(NC[C@]1(c2ccccc2)C[C@H](O)C1)c1cc(O)cs1 928127158 NPKBCXLJKBBZKR-SAZUREKKSA-N 303.383 2.276 10 10 DECE COC(=O)C1=CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1 858472147 GVBXMBRCHYSENH-ONGXEEELSA-N 306.318 2.213 10 10 DECE C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)c2ncnn21 852472463 DFYLVANZPDOJOQ-KCJUWKMLSA-N 321.768 2.142 10 10 DECE Cc1cc(Br)cc([C@H](C)N[C@H]2CCNC2=O)c1O 850481035 GUOWMDHBXIXEFW-KWQFWETISA-N 313.195 2.002 10 10 DECE CCN(Cc1cn(C)nn1)Cc1cc(F)c(N(C)C)cc1F 862312557 OWJZSQQVFGKGID-UHFFFAOYSA-N 309.364 2.181 10 10 DECE COC(=O)[C@@]12C[C@@H](NCc3cc(C)cc(OC)c3O)C[C@@H]1C2 895457743 PZEAHEBBJSVWAC-IGCXYCKISA-N 305.374 2.141 10 10 DECE Cc1ccccc1-n1cc(C(=O)NCc2ccccc2O)nn1 1137471685 WJHATQSVUZSQTM-UHFFFAOYSA-N 308.341 2.211 10 10 DECE [N-]=[N+]=NCCNS(=O)(=O)c1ccc(Br)cc1F 166510428 UQFZXUSDRRIFSP-UHFFFAOYSA-N 323.147 2.177 10 10 DECE COc1ccccc1[C@H](O)C(=O)N[C@H](C)c1ccccc1O 1171722713 BIUNUPAFKFBPJF-BZNIZROVSA-N 301.342 2.312 10 10 DECE C[C@@H](NCC(=O)N1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 1334793341 HDFPNGJFLJRNLF-CQSZACIVSA-N 319.449 2.041 10 10 DECE C[C@@H](NC[C@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 1262263034 DVURTYPNTNRTFT-RHSMWYFYSA-N 306.450 2.459 10 10 DECE CCN(C(=O)c1cccc(O)c1O)[C@H](CO)c1ccccc1 1558099743 WIZKKIVPLOVXNJ-CQSZACIVSA-N 301.342 2.294 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COc2cc(F)cc(F)c21 1638436026 WZHSBYVDCSBNKW-NSHDSACASA-N 321.279 2.168 10 10 DECE Cc1ccc([C@@H](O)[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1643646523 RNLYRXPIPXZOFM-XIKOKIGWSA-N 315.369 2.187 10 10 DECE CC[C@H]1SC(=S)N(CC(=O)Nc2cccc(OC)c2)C1=O 11635553 DZIHKSAOFHCCSU-LLVKDONJSA-N 324.427 2.273 10 10 DECE Oc1cc2c(cc1CN1CCO[C@@H](c3nccs3)C1)OCO2 152257390 KEYDRGYGTSSUDN-CQSZACIVSA-N 320.370 2.151 10 10 DECE COc1cc(NS(=O)(=O)Cc2ccc(N)cc2)ccc1F 159790373 KUADPRDCWQKWOW-UHFFFAOYSA-N 310.350 2.358 10 10 DECE COc1ccc(Br)c(CNC(C)(C)[C@H](C)O)c1O 1969984705 MOGLJQFSNYZQEK-QMMMGPOBSA-N 318.211 2.412 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCC/C=C/Br 2004061216 CDELGGFPWTYCDS-ORCRQEGFSA-N 300.152 2.055 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NCCCCN=[N+]=[N-] 1985093662 CQVDITUUQPPJRD-WOPDTQHZSA-N 323.397 2.449 10 10 DECE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 1985102125 BZNJOTCPZJNXJR-QWRGUYRKSA-N 323.397 2.449 10 10 DECE C[C@H]1C[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)CCS1 2159726977 ZFEUFIGNOKSCSF-WCQYABFASA-N 314.476 2.220 10 10 DECE CNCc1ccc(N2C[C@@H](CO)C[C@@H]2C)c(Br)c1 2038876107 YMCSAEHQUNWGPM-JQWIXIFHSA-N 313.239 2.376 10 10 DECE C[C@H](CC(=O)N(C)C)NCc1c(O)cccc1Br 706804333 IIASWGOSKGFMJN-SECBINFHSA-N 315.211 2.111 10 10 DECE NCc1cc(F)c(N2CCC[C@@H](O)CC2)cc1Br 378760746 AXUMPCCVZDWJIS-SNVBAGLBSA-N 317.202 2.398 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 384114369 KGVCAODVJTXVLT-YJBOKZPZSA-N 323.396 2.434 10 10 DECE C[C@H]1CCC[C@@H](OCC(=O)NCc2c(O)cc(O)cc2O)C1 2064312797 DOLCCNCBFCPPAT-CMPLNLGQSA-N 309.362 2.015 10 10 DECE COc1cc(Cl)cc(CN[C@@H](CC(C)C)C(N)=O)c1O 2279121622 IMWXLSYWLLNSBQ-NSHDSACASA-N 300.786 2.044 10 10 DECE COc1ccc(N(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)O)cc1 2242603968 RZVVKLJITJPWNY-CYBMUJFWSA-N 324.377 2.109 10 10 DECE CSc1ncc(CNCCCS(=O)(=O)C(C)C)s1 2256939833 JBIJIWOAJHIKDT-UHFFFAOYSA-N 308.494 2.168 10 10 DECE CCOC(=O)c1cnc(SC[C@]2(OC)CCOC2)s1 2270016114 YFCCKIPOEOSUDN-LBPRGKRZSA-N 303.405 2.217 10 10 DECE Cc1cc(N2CCOCC2)ccc1C=C1SC(=O)NC1=O 2294002113 MRKDEQDHPMKWGK-UHFFFAOYSA-N 304.371 2.156 10 10 DECE Nc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 8030973 KCPDUFCGARPFHG-UHFFFAOYSA-N 311.385 2.320 10 10 DECE CCN1/C(=C2\SC(=S)N(N)C2=O)C=Cc2ccccc21 57997269 IUZMKYBYBXXCBC-QXMHVHEDSA-N 303.412 2.485 10 10 DECE Cc1c(N)cccc1NS(=O)(=O)c1cccc2nsnc12 37375574 IRCBTAPECRSPBE-UHFFFAOYSA-N 320.399 2.383 10 10 DECE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cncc(F)c1 44261519 FBDVWBZCJYSHPM-SNVBAGLBSA-N 310.350 2.308 10 10 DECE N[C@H](c1ccc(Cl)c(Br)c1O)C(F)(F)CO 95706919 YRYLBZIENWUTFX-MRVPVSSYSA-N 316.529 2.436 10 10 DECE NCc1ccc(N(CCO)C2CCC2)c(F)c1Br 231840913 WJODFRGUBSMOOK-UHFFFAOYSA-N 317.202 2.398 10 10 DECE CCOc1ccc(O)c(CN2CCC[C@@H]2c2nncn2C)c1 93810346 HSBSKLJZISFAAY-CQSZACIVSA-N 302.378 2.257 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CCOC2(C)C)cc1F 297726221 IZDIUZNIUPSPDC-AWEZNQCLSA-N 309.385 2.258 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 808522354 RLJWQAOTOLMJTE-UHFFFAOYSA-N 323.320 2.125 10 10 DECE CC(=O)C(=O)COC(=O)c1[nH]c2ccccc2c1Br 808503538 HECJFUYDQDMIQR-UHFFFAOYSA-N 324.130 2.245 10 10 DECE Cc1cc(O)c(CN[C@@H]2CNCC3(CCOCC3)C2)cc1C 903972741 KZVFBZJNKBFWCT-INIZCTEOSA-N 304.434 2.257 10 10 DECE CN(C)c1ccc(/C=C/CN(CCO)C2CCOCC2)cc1 835044649 CXSJWKDVDITZAH-ONEGZZNKSA-N 304.434 2.239 10 10 DECE Cn1nccc1[C@@H]1COCCN1Cc1cc(Cl)ccc1O 846115061 IFCFVCMJHVEJKY-AWEZNQCLSA-N 307.781 2.353 10 10 DECE O=C1N=C(N2CCCCC2)S/C1=C\c1cn(C2CCC2)nn1 849243190 QQHITEDECYPYTF-LCYFTJDESA-N 317.418 2.459 10 10 DECE COc1cc(Br)cc([C@@H](C)N[C@H](C)CO)c1O 848523710 LFGDYHCWBSHLDX-HTQZYQBOSA-N 304.184 2.195 10 10 DECE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[C@H]2COC[C@H]21 854475927 XZVXENWOFKBRRZ-JZYVYDRUSA-N 302.157 2.208 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(C)c1Cl 935945516 AGUHLQUNTNBCFI-UHFFFAOYSA-N 314.769 2.195 10 10 DECE C[C@@H](NC(=O)N(C)Cc1cnccn1)c1ccc(N(C)C)cc1 776237545 BPMKNNUCUJMAKV-CYBMUJFWSA-N 313.405 2.445 10 10 DECE CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1136132754 AKHFBYTVKVQXQI-DHZHZOJOSA-N 324.402 2.163 10 10 DECE CCNCc1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694172247 ZZUGBZRJNUAVSO-UHFFFAOYSA-N 318.870 2.320 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cccc(OCC(F)F)n1 1153886099 WHNDPFAVDBACRT-UHFFFAOYSA-N 324.283 2.067 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cc(F)cnc1O 1162613175 XYIUMLITZGKLKD-UHFFFAOYSA-N 313.288 2.110 10 10 DECE CNc1ncnc2cc(C(=O)NCc3cc(O)ccc3O)ccc12 1176754750 GQJBLLGTWXYOSI-UHFFFAOYSA-N 324.340 2.013 10 10 DECE COC(=O)c1cccc2c1CCN2C(=O)/C=C(/C)c1cnccn1 1439645761 OOHAOUSRRQCXJT-BENRWUELSA-N 323.352 2.256 10 10 DECE C[C@@H](CNc1ccccc1)NC(=O)c1c(F)ccc(O)c1O 1457685745 XEMBMYXPOASJES-JTQLQIEISA-N 304.321 2.467 10 10 DECE CN(C)c1ccc(CNC(=O)c2ccc(CO)c(F)c2)cc1F 1625951709 MBEGQCHOBADCOY-UHFFFAOYSA-N 320.339 2.453 10 10 DECE COc1cc(CO)ccc1C(=O)NCc1cc(Cl)ccc1O 1628680346 GYIOKZOGZUVDHD-UHFFFAOYSA-N 321.760 2.477 10 10 DECE C[S@](=O)c1ccc(CC(=O)NCc2c(O)cccc2F)cc1 1558454343 FDFHWBKKUXNAAP-QFIPXVFZSA-N 321.373 2.128 10 10 DECE CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ncc[nH]1 1624069339 IALBGFRROFYMLK-UHFFFAOYSA-N 300.322 2.237 10 10 DECE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 1628160186 FOJCXBBHZZBLNA-GFCCVEGCSA-N 323.389 2.219 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCN(CCF)C2CC2)cc1 1714682847 VVWCXSNZUVFASB-UHFFFAOYSA-N 321.356 2.013 10 10 DECE CC(=O)N/C(=C\c1cccs1)C(=O)NCc1ccccc1O 1622772989 QWCXEHSSHGJCTI-ZROIWOOFSA-N 316.382 2.247 10 10 DECE COC[C@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928476708 MDFPWZZVGKIOMM-BBRMVZONSA-N 310.394 2.322 10 10 DECE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)c2ncc[nH]2)cc1C 1570602374 VUDBAPWTRIBXKL-STQMWFEESA-N 316.405 2.023 10 10 DECE CN(CCCN=[N+]=[N-])[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 1962304117 LPJPFFMMPFPKCL-CQSZACIVSA-N 313.402 2.302 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2oncc2C)cc1C 1690635448 NVQDQMMHPUHJDY-ZDUSSCGKSA-N 317.389 2.208 10 10 DECE O=C(c1ccco1)N1CCN(/N=N/c2ccc(O)cc2)CC1 1860480645 QAXNACKMZJCCKQ-WUKNDPDISA-N 300.318 2.442 10 10 DECE NCc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1 1948381310 HRHMNAUYMSEQSL-UXHICEINSA-N 323.440 2.235 10 10 DECE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 1946807111 WAVRVHOSQGBKQV-SFHVURJKSA-N 324.428 2.207 10 10 DECE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1902371139 DKKHRTVSIWQVJW-LLVKDONJSA-N 315.325 2.213 10 10 DECE O=C1C[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2N1 2145060980 WHZHRARZMOGEFP-PRHODGIISA-N 315.200 2.409 10 10 DECE C[C@H](NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)c1ccccc1O 1989690748 WGFXUJIMSPEUBO-WDEREUQCSA-N 324.377 2.414 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](C)O)cc1Br 2011148880 KLJVBORKMPMODU-MWODSPESSA-N 300.196 2.462 10 10 DECE C[C@@H]1[C@@H](CO)CCN1c1cc(Br)c(CN)cc1F 385608718 DYLLYHVZSGDZNA-RKDXNWHRSA-N 317.202 2.254 10 10 DECE C[C@@H](NCC1CC(S(C)(=O)=O)C1)c1cc(F)ccc1O 2192327073 CBRNGCVTMXCGBS-GRZMOONWSA-N 301.383 2.005 10 10 DECE COC(=O)c1cnc(Sc2nc(C(=O)O)cs2)s1 2062440874 GQNKDSXJDNRDQU-UHFFFAOYSA-N 302.358 2.236 10 10 DECE O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2ccc(Cl)cc2O)C1 2201884837 TVJNYGGKPJRXPA-SMDDNHRTSA-N 315.822 2.103 10 10 DECE C[C@H](O)c1ccc(N2CC[C@]3(O)C[C@H]3C2)c(Br)c1 2254041645 SENWWGKSTMFUMZ-CHIMOYNISA-N 312.207 2.464 10 10 DECE C[C@H](N)c1ccc(N2CC[C@]3(O)C[C@@H]3C2)cc1Br 2254113816 HZMGTYFXXWJWOH-RBZYPMLTSA-N 311.223 2.430 10 10 DECE NC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2293024303 BHILJLHEMCRAML-UHFFFAOYSA-N 312.276 2.404 10 10 DECE CSc1ncc(CNC(=O)[C@]23CCCC[C@@H]2CNC3)s1 2284642068 WOVRBNNIWBCECZ-YGRLFVJLSA-N 311.476 2.261 10 10 DECE CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(C(=O)OC)=C1C 2297308052 FBPSPGSEWZLAHP-UHFFFAOYSA-N 314.385 2.445 10 10 DECE CCOC(=O)CNCc1ccc(C)c(Br)c1O 2307565149 JVHFQACMZOEOKZ-UHFFFAOYSA-N 302.168 2.116 10 10 DECE Cc1ccc(CNC2(CO)CCC2)c(O)c1Br 2307565619 OPCFNPHQNMJIEY-UHFFFAOYSA-N 300.196 2.468 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)c1nn(C)c(Br)c1C 2315990252 XYYHBFHNNSMOON-UHFFFAOYSA-N 315.175 2.263 10 10 DECE Cc1ccc(CN(C)CC2(F)CNC2)c(O)c1Br 2327593847 HXHLQLJEQVTPFC-UHFFFAOYSA-N 317.202 2.206 10 10 DECE C[C@@H]1[C@H](Nc2c(N)cccc2C(N)=O)CCN1Cc1ccccc1 310371239 NWWFEIMZJFKBJP-CXAGYDPISA-N 324.428 2.443 10 10 DECE CCN(CC)c1ccc(CNc2cncc(C(N)=O)n2)cc1F 301496204 BWPNKGXNEQSUAP-UHFFFAOYSA-N 317.368 2.173 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN(CCCO)CC(F)(F)F)c1 173307853 AYXNCLHMSCFCBD-UHFFFAOYSA-N 308.256 2.047 10 10 DECE CNc1cc2c(cc1C)Nc1c(C(N)=O)cc(O)c(O)c1O2 3848521 WTQZEVAXQPYXSE-UHFFFAOYSA-N 301.302 2.396 10 10 DECE biogenic Cc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c(O)c1O 182418311 AJJCSIBJVKNXJD-LLVKDONJSA-N 320.370 2.076 10 10 DECE O=C1N[C@@H](c2cc(Br)ccc2O)N2CCCC[C@@H]12 77472802 LUEXTTJLBABBKF-CMPLNLGQSA-N 311.179 2.138 10 10 DECE CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C 190657944 XVYAGCUZOBIUIV-BLLLJJGKSA-N 323.412 2.458 10 10 DECE COc1cccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O 246127383 KQTODKKALIIWHI-SOUVJXGZSA-N 307.390 2.169 10 10 DECE N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 246483263 OTUNTBVOPMYMQP-UOVPBQLFSA-N 313.445 2.276 10 10 DECE C[C@@H]1CN2CCC[C@H]2CN1C(=O)NCc1ccc(N(C)C)cc1 247145706 JWLRIEPLBNQUOG-PBHICJAKSA-N 316.449 2.131 10 10 DECE Cc1cc(COCC(=O)NCc2ccc(N(C)C)cc2C)on1 800890997 CAVLEMMXJPWOAU-UHFFFAOYSA-N 317.389 2.190 10 10 DECE CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 816029116 VWQOZUNQJHWRRV-PVXIVEMSSA-N 307.390 2.350 10 10 DECE C[C@]12COC[C@@H]1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C2 827280232 DQJAVNMIPVRYLP-HZMBPMFUSA-N 312.753 2.422 10 10 DECE C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1O 827151834 KPWFFCRAVPMXPW-KBPBESRZSA-N 322.424 2.111 10 10 DECE CO[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C(=O)O)C1 902035276 TVRSPROZALPCIJ-ADDHZHGLSA-N 318.417 2.330 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CC2(CCCOC2)C1 839138046 HTLKQGBKHWRMQA-UHFFFAOYSA-N 302.418 2.136 10 10 DECE CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(C)c2O)C1 843431662 AZASWORYCFUOTJ-AWEZNQCLSA-N 316.323 2.201 10 10 DECE O=C(N[C@@H](c1ncccn1)C1CC1)N1Cc2cccc(O)c2C1 925474185 AOGYNITZAVVNQF-OAHLLOKOSA-N 310.357 2.359 10 10 DECE COc1ccc(O)c([C@H](C)N[C@@H]2CNCC3(CCOCC3)C2)c1 925791632 MKQHDWRZSRZDRE-KBPBESRZSA-N 320.433 2.210 10 10 DECE Cc1nc(C)c(S(=O)(=O)NCc2c(O)cccc2F)s1 921452080 CSSQGEXLJIXXHL-UHFFFAOYSA-N 316.379 2.083 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3[C@H]4OC[C@H]5C[C@@H]3C[C@@H]54)C2)cc1 926680636 QKAHRINGOXWKHD-BIHZYOEISA-N 314.429 2.287 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1C[C@]23CCCC[C@]2(COC3)C1 857339811 KAYAUHMXLYIMMV-CALCHBBNSA-N 321.348 2.270 10 10 DECE COC(=O)/C=C\c1ccc(N2CCC3(COC3)C2)c([N+](=O)[O-])c1 853951273 RIJXOSUAAFDBAE-HYXAFXHYSA-N 318.329 2.008 10 10 DECE CCO[C@H]1C[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 852520480 IJNGGJHVXKSNAQ-NQBHXWOUSA-N 308.378 2.329 10 10 DECE COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(C)c(C)cc1O 862515948 GPNOORPWTWRBBH-GDBMZVCRSA-N 321.417 2.457 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC12CCOCC2 871583498 SLPQNTVNUWKRHM-PMUGQKEBSA-N 317.385 2.434 10 10 DECE O=C(Nc1c(Cl)ccc2nonc12)c1cnn2c1OCCC2 1128603662 KPNZYTONVRQIGC-UHFFFAOYSA-N 319.708 2.108 10 10 DECE COC[C@H](NCc1cc(C)cc(OC)c1O)C1CCOCC1 895231270 QPLBOWJQSMDKEG-HNNXBMFYSA-N 309.406 2.240 10 10 DECE O=C(NCC[C@H]1COc2ccccc2O1)c1cccc(O)c1O 790890947 LZTIOZWBKZVIER-NSHDSACASA-N 315.325 2.058 10 10 DECE COCCOc1cccc(C(=O)NCc2c(O)cccc2O)c1 1178910106 ADCYGZNAVUFMDL-UHFFFAOYSA-N 317.341 2.053 10 10 DECE NCc1ccc(N2CC(N3CCCC3)C2)cc1Br 697765651 UDIXJXUFBXVXEE-UHFFFAOYSA-N 310.239 2.192 10 10 DECE C[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@@](C)=O 1348090590 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CCN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 832463397 ZMXYBQZMXLKQON-IAGOWNOFSA-N 322.474 2.294 10 10 DECE CN(C[C@@H]1CCC[C@H]1O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844213972 BWMDDBQIURPUGL-KUELQNGQSA-N 320.345 2.290 10 10 DECE C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1O 849376444 CPZOZRPSTVPRMS-SECBINFHSA-N 311.325 2.400 10 10 DECE CN(C)c1ccc(CNC(=S)NC[C@H]2CCCO2)cc1F 746684675 BTJDTZGUPDFIHS-GFCCVEGCSA-N 311.426 2.035 10 10 DECE CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 843432815 QSPPSNQOAYIZLW-ZDUSSCGKSA-N 320.286 2.032 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1c(F)ccc(N)c1O 687737095 YTAYDCNSEVCFPY-VIFPVBQESA-N 314.313 2.154 10 10 DECE C[C@@]1(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)COC(=O)N1 926146137 YSKRUVXEUDNBPR-INIZCTEOSA-N 318.377 2.011 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc(F)cc(F)c2O)C1 756760341 NSZSVPYCQOXZGV-MWLCHTKSSA-N 313.348 2.125 10 10 DECE Cc1ncsc1CCNC(=O)NCc1c(O)cccc1F 922700980 YOQXCRAFUBEUSV-UHFFFAOYSA-N 309.366 2.338 10 10 DECE CCc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n(C)n1 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COC[C@](C)(CCO)NCc1ccc(Br)cc1O 825331207 KKBFCTZJMGEGPN-ZDUSSCGKSA-N 318.211 2.032 10 10 DECE Cn1c(CCNC(=O)c2cc(O)cs2)nc2c(F)cccc21 1628143531 QXDIWXLGIPJNJS-UHFFFAOYSA-N 319.361 2.452 10 10 DECE COc1cc(CC(=O)NCc2cc(O)ccc2O)ccc1C 1558175011 XNRXPJYBXGWCFN-UHFFFAOYSA-N 301.342 2.274 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c(O)cccc2C1 1557850186 YFORMJLSAXPACB-ALCCZGGFSA-N 311.337 2.402 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@@H]1CCOC2(CCCC2)C1 1558175270 KHPFLRHLCHTYSD-GFCCVEGCSA-N 305.374 2.453 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CCCOC2)cc1C 1732989074 DEJKZVGQGXBRQT-GOEBONIOSA-N 320.433 2.025 10 10 DECE Cc1c(C(=O)NCc2c(O)cccc2O)cnn1C(C)(C)C 1645360925 PECUBJLWXKKIKV-UHFFFAOYSA-N 303.362 2.288 10 10 DECE Cc1c(NC(=O)c2cc(O)cs2)nnn1Cc1ccncc1 1641393819 WVEQKYYAHIJGFY-UHFFFAOYSA-N 315.358 2.049 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(-c2ccccn2)nc1 1647289421 CRQDSQMLKQXNHZ-UHFFFAOYSA-N 321.336 2.485 10 10 DECE O=C(c1cccc(O)c1O)N1C[C@H](CO)Cc2cccc(F)c21 1583267733 HZXHOYBMUIVBJB-SNVBAGLBSA-N 317.316 2.048 10 10 DECE C[C@@H](CNCCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1698864425 URXVWMOMCXQRKF-NSHDSACASA-N 323.372 2.259 10 10 DECE C[C@H](NC[C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 153167058 HXFMOYOTFJSKNI-CVEARBPZSA-N 305.466 2.372 10 10 DECE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2O 1914612175 ZOYGBYPROMKTEZ-SJKOYZFVSA-N 312.369 2.060 10 10 DECE CCOC(=O)C[C@](C)(N)c1ccc(Br)cc1O 1951860185 IYXXQUGICUQVMN-LBPRGKRZSA-N 302.168 2.282 10 10 DECE NCCN(Cc1cc(Br)cc(F)c1O)CC1CC1 2030267824 FALRFUWQUVSLGV-UHFFFAOYSA-N 317.202 2.465 10 10 DECE CN(Cc1ccc(N)cc1)Cc1cnn(C)c1Br 2031615650 LDJPONXCBFRNJC-UHFFFAOYSA-N 309.211 2.397 10 10 DECE NCc1ccc(N2CC[C@H]3C[C@H]2CO3)c(F)c1Br 2035552514 PLHOWAYTCSZWLL-UWVGGRQHSA-N 315.186 2.415 10 10 DECE C[C@@H](O)c1ccc(N(C)[C@H]2C[C@H](O)C2)cc1Br 1908041400 HUGQKXKUVBHGJO-FBIMIBRVSA-N 300.196 2.462 10 10 DECE C[C@@H](O)c1ccc(N2CC([C@H](F)CO)C2)cc1Br 2048029547 KPMSYLVQPKZDFI-AMIZOPFISA-N 318.186 2.269 10 10 DECE C[C@@H]1SCCC[C@@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 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Cc1noc(C2CCC(NC(=O)Cc3ccc(N)cc3)CC2)n1 378200295 AVESXSNDCRLWPO-UHFFFAOYSA-N 314.389 2.345 10 10 DECE CCN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(OC)cc1 371385986 VAZFIZVBKDFRRN-QGZVFWFLSA-N 318.417 2.159 10 10 DECE COc1cc(CN2C[C@@H]3CNC[C@@H]3C2)c(O)c(C(C)(C)C)c1 824948002 AKJJGDQOLUNCGW-OKILXGFUSA-N 304.434 2.350 10 10 DECE Cc1cnn(CCN(C)Cc2ccc(N3CCOCC3)cc2)c1 730086472 NOPHZMKKAGXCDI-UHFFFAOYSA-N 314.433 2.160 10 10 DECE C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C 914180839 XWLNGXIKJAKKJF-WMLDXEAASA-N 316.449 2.179 10 10 DECE CCOc1ccc(O)c(CNCC(C)(C)C2(O)CCOCC2)c1 841889596 FHGGCKMAFQQHAB-UHFFFAOYSA-N 323.433 2.448 10 10 DECE CCN1CC[C@H]2OCCN(Cc3cc(OC)c(C)cc3O)[C@H]2C1 840084206 QZZYEFUMMGMLJX-DOTOQJQBSA-N 320.433 2.004 10 10 DECE CCS(=O)(=O)CCCNC/C=C/c1ccc(N(C)C)cc1 840974394 IPKUKCLSQMOLNB-FNORWQNLSA-N 310.463 2.180 10 10 DECE CSC1CCC(CNC(=O)C(=O)Nc2ccc(N)cc2)CC1 927835114 RMDMJEWFPUGMNY-UHFFFAOYSA-N 321.446 2.245 10 10 DECE C[C@H](NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1cc(F)ccc1O 927038141 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10 10 DECE CC(C)(C)OC(=O)N1CC(N(CCN=[N+]=[N-])[C@@H]2CCOC2)C1 1962300170 PVLVUPNRHMMJJC-LLVKDONJSA-N 311.386 2.007 10 10 DECE CCOc1ccc(N2CCN([C@@H](C)c3n[nH]c(C)n3)CC2)cc1 1325994156 GKSMCJVKMOTAIZ-ZDUSSCGKSA-N 315.421 2.395 10 10 DECE CC1(CCNCc2cc(Br)ccc2O)OCCO1 716036156 YZPDLIQBKSFGID-UHFFFAOYSA-N 316.195 2.397 10 10 DECE O=S1(=O)CCC[C@@H](NCc2cccc(Cl)c2O)CC1 822188350 HIOYXDHRONCZBP-LLVKDONJSA-N 303.811 2.103 10 10 DECE CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C12CCC2 1445594805 NOPJYIITVYATIG-HOTGVXAUSA-N 319.401 2.446 10 10 DECE O=C(CSCc1ccccn1)NCc1ccc(O)cc1O 1638351693 BVGPSBYIKXSBFC-UHFFFAOYSA-N 304.371 2.042 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccccn1 1633818050 CTJLELBQDSWOSA-NWDGAFQWSA-N 300.358 2.344 10 10 DECE C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1632885683 JPNCKXPYTVAGLD-ZWNOBZJWSA-N 304.350 2.225 10 10 DECE C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1570273588 JORKYXXXPWYZDK-ZYHUDNBSSA-N 304.350 2.082 10 10 DECE CC1(C)CN(c2ccc(CN)cc2Br)C[C@@H]1CO 1914000587 DRPNPQUUILQZGC-LLVKDONJSA-N 313.239 2.363 10 10 DECE CC(C)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1699348012 IYKYPXSDNRJZGW-XZFMURBMSA-N 317.393 2.381 10 10 DECE Nc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1 1860078261 JMBXCRYDXUSOBY-UHFFFAOYSA-N 305.265 2.334 10 10 DECE O=C(CCNCc1cc(Cl)cc(Cl)c1O)NC1CC1 112017676 DNMADLAZQYOMSH-UHFFFAOYSA-N 303.189 2.457 10 10 DECE O=C1C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CCN1 1969108921 AOGJBZVJWNOCSW-MRVPVSSYSA-N 303.189 2.315 10 10 DECE C[C@H]1CS(=O)(=O)CCN1[C@@H](C)c1ccc(Cl)cc1O 2138558469 XAAOOIFIJKEOFW-UWVGGRQHSA-N 303.811 2.226 10 10 DECE Oc1ccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1O 1939380636 SGUJWMAJKLGALM-VQIMIIECSA-N 310.397 2.462 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1c(O)cccc1O 1952607196 IPFWEQQXALDWQF-YGRLFVJLSA-N 308.378 2.497 10 10 DECE OCc1ccc(N2CCn3nccc3C2)cc1Br 2028139221 HAIKGURNYAVXBV-UHFFFAOYSA-N 308.179 2.158 10 10 DECE CC1([C@@H](NCc2cc(Br)ccc2O)C(=O)O)CC1 2032662788 CDBMQDNSUZAUFT-NSHDSACASA-N 314.179 2.498 10 10 DECE CC(C)NCc1cc(F)c(N2CCS(=O)CC2)c(F)c1 62712870 FWDZODDETVOZOL-UHFFFAOYSA-N 302.390 2.032 10 10 DECE CCCN=c1nc(Sc2nccs2)c2c([nH]1)CCOC2 2158321994 ZARPFGORXQGGHA-UHFFFAOYSA-N 308.432 2.401 10 10 DECE CC[C@H]1CN(c2ccc(CNC)c(Br)c2)C[C@H]1O 399980156 XDKITPIGIZISKG-IINYFYTJSA-N 313.239 2.376 10 10 DECE C[C@@H]1[C@H](C(=O)NCc2c(O)cc(O)cc2O)[C@@H]1c1ccccc1 2062996339 UJUKVARRGPMPSJ-POJUEXTFSA-N 313.353 2.469 10 10 DECE OCc1sc(C(F)F)c(I)c1O 2080414604 XKLPYNCEPFLQRN-UHFFFAOYSA-N 306.071 2.488 10 10 DECE CN(C)c1ccc([C@@H](N)c2ncc(Br)cn2)cc1 2044716919 BSFFQVGGVCDSCH-GFCCVEGCSA-N 307.195 2.353 10 10 DECE CNCc1ccc(N(CCO)[C@@H]2C[C@@H]2C)cc1Br 2048202571 ULRJAYODZHHVJY-IINYFYTJSA-N 313.239 2.376 10 10 DECE CNCc1ccc(N2CC[C@H]3C[C@@]3(O)C2)c(Br)c1 2051363699 UOUNLDKSOHFEAI-SMDDNHRTSA-N 311.223 2.130 10 10 DECE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)c(Br)c1 2051367428 SDYNTKVOSZWWKP-OLUVUFQESA-N 312.207 2.464 10 10 DECE NCc1cc(F)c(N2CCO[C@@H](CF)C2)cc1Br 2052001829 STTBTZNMLCUOPI-VIFPVBQESA-N 321.165 2.222 10 10 DECE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(CO)cc1Br 2054308905 OBMQZKJARJDVEM-CNDDSTCGSA-N 312.207 2.270 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H](F)[C@H](CO)C2)cc1Br 2057004167 AAPBXLCTHWIOFG-VYUIOLGVSA-N 317.202 2.235 10 10 DECE C[C@@H]1[C@@H](O)CN1c1ccc(CNC2CC2)cc1Br 2062243814 DUXSNURMGPHHON-OTYXRUKQSA-N 311.223 2.271 10 10 DECE CS(=O)(=O)c1ccc(Sc2ncc(CCN)s2)cc1 2099137798 KIVFXUTVQSZZPG-UHFFFAOYSA-N 314.457 2.199 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F 2234176579 LVZAKYZBERLSSE-UWVGGRQHSA-N 302.306 2.475 10 10 DECE CN(Cc1ccc(Br)cc1O)[C@@H]1CNCC12CC2 2258925407 BXHLHCGUZZSLEY-CYBMUJFWSA-N 311.223 2.339 10 10 DECE O=C1O[C@H](c2cccs2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 33414028 LLHZAZQEASERBV-NWDGAFQWSA-N 306.295 2.239 10 10 DECE Cc1cccc(CNCc2c(Br)ncn2C)c1O 2315648533 NCUXGDQEIOUKOR-UHFFFAOYSA-N 310.195 2.486 10 10 DECE Cc1ccc(CN2CC[C@H]3[C@@H]2C[C@H]3O)c(O)c1Br 2327624322 PUYZYLPRQFTTSC-SDDRHHMPSA-N 312.207 2.418 10 10 DECE COCC(COC)NCc1ccc(C)c(Br)c1O 2327621107 KBWMYWBVTCSGQN-UHFFFAOYSA-N 318.211 2.214 10 10 DECE OCC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 305733426 OZBSIOLJWKYUOI-QGZVFWFLSA-N 304.434 2.260 10 10 DECE CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 191422109 QPSLVJKOWICWDE-RDJZCZTQSA-N 315.417 2.430 10 10 DECE CN(C)c1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1F 362334633 HYXCIZKEDNMNSL-HOCLYGCPSA-N 319.424 2.382 10 10 DECE CC[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@]2(CCOC2)O1 366288582 VSUMPUGBTUYZHD-PBHICJAKSA-N 307.390 2.171 10 10 DECE O[C@@H]1[C@H](CNCc2ccc3c(c2)CCO3)CCC12CCOCC2 282878992 RTZPOJZSQULMOW-FUHWJXTLSA-N 317.429 2.279 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@@H](CO)c2cccnc2)c1 806178874 KHVQJXIBJCPWDF-OCCSQVGLSA-N 302.374 2.223 10 10 DECE O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1ccc(O)c(O)c1 901133412 YBFIWKXQPQPUOC-ZDUSSCGKSA-N 305.374 2.453 10 10 DECE Oc1cc(Br)ccc1CN1CCN(C2CC2)CC1 824556441 UEVFAKWTTRVMOF-UHFFFAOYSA-N 311.223 2.435 10 10 DECE C[C@H](Nc1nccc(S(C)(=O)=O)n1)c1ccc(N(C)C)cc1 912055046 BLJJZNHYTVYTRU-NSHDSACASA-N 320.418 2.119 10 10 DECE Nc1ccc(CCNC(=O)N[C@@H]2CNc3ccccc3C2)cc1 846173441 RIOVLUPNFKQORD-INIZCTEOSA-N 310.401 2.147 10 10 DECE C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C 846741637 AXQUVDDXBKEBCT-CYBMUJFWSA-N 319.449 2.262 10 10 DECE COCCN(C)CCCNCc1c(O)cc(C)cc1Cl 840877181 YJCJKXJLGYPIET-UHFFFAOYSA-N 300.830 2.412 10 10 DECE C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@](C)(CCF)C1=O 849354745 VISLEIKDMGGIEZ-ZBEGNZNMSA-N 307.369 2.484 10 10 DECE Cc1cc(C(=O)N(C2CC2)[C@H]2CCNC2)c(C)n1-c1ccccn1 844192681 KDKBVNBMPRDDIU-INIZCTEOSA-N 324.428 2.456 10 10 DECE COc1ccc(N2CC[C@@H](COC(=O)C3(OC)CC3)C2)cc1 842875554 RQLTVIPZYAAQFW-CYBMUJFWSA-N 305.374 2.244 10 10 DECE CCN(CCC(N)=O)C(=O)c1ccc(-n2c(C)ccc2C)cc1 928824692 DLULQPOAYWFUCB-UHFFFAOYSA-N 313.401 2.432 10 10 DECE CCC(CC)N1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O 928712624 UTIWGNKBTYGNDH-LLVKDONJSA-N 322.380 2.185 10 10 DECE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](CC(F)(F)F)O1 852921696 LXPHBCQNSUMHGU-GWCFXTLKSA-N 316.323 2.380 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(OC)CC1 865027256 KSNCVOOEOOSCOS-UHFFFAOYSA-N 319.449 2.375 10 10 DECE O=C(NCc1ccccc1O)N[C@H](C1CCC1)[C@@H]1CCOC1 868999193 DDSQVRKFMYHVRP-GDBMZVCRSA-N 304.390 2.397 10 10 DECE C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1F 778229674 AFNBFOLEWZHVGR-XJKSGUPXSA-N 307.413 2.049 10 10 DECE O=S1(=O)CC[C@@H](c2nc(-c3ccc(O)c(O)c3)cs2)C1 871599579 TUTXOVQTJFKOIK-SECBINFHSA-N 311.384 2.123 10 10 DECE Oc1cc(Br)ccc1CNCCC1CC(O)C1 702463332 JZVQIILSCMPXJT-UHFFFAOYSA-N 300.196 2.405 10 10 DECE COc1ccc(Br)c(CN[C@@H](C)C[C@H](C)O)c1O 1964566218 AAIDOHRDEJPVTG-IUCAKERBSA-N 318.211 2.412 10 10 DECE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccnn2C1 1455188052 KEGCUDXWFCJBAZ-JTQLQIEISA-N 312.333 2.342 10 10 DECE COc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1F 1451765718 HHNPHNMIJNPQQY-UHFFFAOYSA-N 305.305 2.104 10 10 DECE CNc1ncc(C(=O)NCc2ccc3cccnc3c2O)s1 1639624832 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321.240 2.266 10 10 DECE C[C@@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)cc1Cl 2151276776 ADWIWXIKRDPWHI-PWSUYJOCSA-N 316.854 2.373 10 10 DECE CN[C@@](CCSc1nccs1)(C(N)=O)c1ccccc1 168224341 RUQHGJZHJUUWIB-CQSZACIVSA-N 307.444 2.226 10 10 DECE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H](F)C2)c(Br)c1 2027968295 DHDXFKFODYSMIW-QWRKXWFKSA-N 318.186 2.412 10 10 DECE OCc1ccc(N2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(Cl)c1 2163357978 GRWSMRJBKRBMJH-ZJUUUORDSA-N 309.715 2.439 10 10 DECE CNCc1ccc(N2CC(CN(C)C)C2)cc1Br 382261398 HIHJIAQTCXKJKZ-UHFFFAOYSA-N 312.255 2.166 10 10 DECE CN(C[C@H]1CCCSC1)S(=O)(=O)Cc1ccc(N)cc1 718439358 RNWNYTJXEDJAKR-CYBMUJFWSA-N 314.476 2.174 10 10 DECE Cc1cn(-c2ccc(O)c(O)c2)nc1I 2069951688 LFLMDLNPHXANAS-UHFFFAOYSA-N 316.098 2.197 10 10 DECE COc1ccc(N2CCN[C@H]3C[C@H]32)c(OC)c1Br 2044327522 FKKPSYOAHDDMTR-WCBMZHEXSA-N 313.195 2.017 10 10 DECE CO[C@]1(CN(C)c2ccc(CN)c(F)c2F)CCSC1 2186274910 CPLFCBMUSUFVRT-AWEZNQCLSA-N 302.390 2.382 10 10 DECE OCc1ccc(N2CCOC[C@H]2C(F)F)cc1Br 2055447217 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2.475 10 10 DECE CN(C)c1ccc(/C=C/CNC(C)(C)CN2CCOCC2)cc1 840964229 UWAHXKZSZVJRCU-AATRIKPKSA-N 317.477 2.466 10 10 DECE CN(C)C(=O)C1(NCc2ccc(N3CCCCC3)cc2)CC1 840959169 VKUUOFPRHPAGAK-UHFFFAOYSA-N 301.434 2.387 10 10 DECE NC(=O)CC1(CNCc2cc3c(cc2O)OCO3)CCCCC1 850412127 AQASODSTUWZBMT-UHFFFAOYSA-N 320.389 2.036 10 10 DECE c1cnc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)nc1 923009930 RFSDWYLFRYPQSF-UHFFFAOYSA-N 311.385 2.207 10 10 DECE COc1ccc(N(C)CCN(C)C[C@H](OC)[C@@H]2CCOC2)cc1 852211649 NKFGLLDMAQKIJN-QAPCUYQASA-N 322.449 2.115 10 10 DECE O=C(C[C@H]1CC[C@@H](C2CC2)O1)OCC(=O)c1ccc(O)c(O)c1 924359973 MJVQZCFYAOACFZ-WBMJQRKESA-N 320.341 2.171 10 10 DECE C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1O 858495003 QYCISNJDOXEHLA-IWSPIJDZSA-N 302.296 2.326 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)(C)N)no1 852883246 VWDDXFNCFVLKEX-UHFFFAOYSA-N 316.405 2.207 10 10 DECE Cc1n[nH]cc1CCCNC(=O)N[C@@H](C)c1ccccc1O 864424811 PZKBJVDJUPXSKV-LBPRGKRZSA-N 302.378 2.417 10 10 DECE 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C[C@@H](C[S@](C)(=O)=NCCN=[N+]=[N-])NC(=O)OC(C)(C)C 1954207650 ZCCBJFLFZIKNJW-LXGOIASLSA-N 305.404 2.308 10 10 DECE C[C@@H](CC(N)=O)N(C)[C@H](C)c1cc(Br)ccc1O 2033937779 JIFMHPZSTFPNCW-DTWKUNHWSA-N 315.211 2.411 10 10 DECE CCNCc1ccc(N(CC)CCOCCO)c(Cl)c1 312437139 PUIAZLYMJIWEBO-UHFFFAOYSA-N 300.830 2.285 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@@H]2CNC[C@H]21 701071727 ATUNPQSUIMPFRV-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE CNCc1ccc(N(C)C[C@H]2C[C@@H](O)C2)cc1Br 703897135 TZARJQQTFJXCBS-GSJFWJNXSA-N 313.239 2.376 10 10 DECE C[C@H](N)c1ccc(N(C)CCn2cnnc2)cc1Br 707677394 TVJSFEYLGVIGKA-JTQLQIEISA-N 324.226 2.197 10 10 DECE CN(C[C@H](O)C1CC1)c1ccc(CN)c(Br)c1F 708518583 ZZJTVKDUDYPYGC-NSHDSACASA-N 317.202 2.254 10 10 DECE C[C@H]1CC(S(=O)(=O)NCc2ccc(O)cc2O)C[C@H](C)C1 2062807904 HVWOWWINEDJBSY-GHMZBOCLSA-N 313.419 2.342 10 10 DECE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)Cc3cccs3)c2n1 2065117263 KJVOGMGCNVFSLJ-VIFPVBQESA-N 316.386 2.166 10 10 DECE C[C@H](CCC(F)F)N(C)S(=O)(=O)Cc1ccc(N)cc1 2177918672 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O=C(/C=C/c1cnccn1)N1CCCc2c1cccc2[N+](=O)[O-] 492226434 NZDIMHIUEKEHSB-VOTSOKGWSA-N 310.313 2.377 10 10 DECE CN1CCCc2cc(CNC(=O)C=Cc3ccncn3)ccc21 2307545458 CBXZPRCTAVSUDE-UHFFFAOYSA-N 308.385 2.189 10 10 DECE Cc1cccc(C=C2SC(=S)N(CCOCCO)C2=O)c1 2323767942 PNNKCPYCGSSROH-UHFFFAOYSA-N 323.439 2.205 10 10 DECE CO[C@@H]1COCCN(Cc2ccc(Br)cc2O)C1 2326669871 QXNGCOHDLSIXCC-LBPRGKRZSA-N 316.195 2.002 10 10 DECE CCN(CC)[C@@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O 103603315 QUFVDJFQWNDKHJ-STQMWFEESA-N 323.437 2.491 10 10 DECE COc1ccc(O)c(CNC(=O)CN(C)Cc2ccccc2)c1 114541919 BHBXLCRYXVQJPF-UHFFFAOYSA-N 314.385 2.149 10 10 DECE C[C@@H](NC1CCOCC1)c1ccc(N2CCC(O)CC2)cc1 118995189 ZNMWTXNVXQIIEN-CQSZACIVSA-N 304.434 2.477 10 10 DECE Cc1sc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] 122597746 OFHMPVVJQSKGCQ-UHFFFAOYSA-N 322.342 2.348 10 10 DECE CCOC(=O)c1cnc(NCc2cnc(SC)s2)nc1 2362685802 KNVGTQYQGDCIPW-UHFFFAOYSA-N 310.404 2.444 10 10 DECE CN(C)S(=O)(=O)c1cccc(COc2ccc(N)cc2)c1 38055756 BHDNJPNKQIXXOR-UHFFFAOYSA-N 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DECE Oc1cc(Br)ccc1CNCCN1CC[C@H]2C[C@@H]21 2261361109 LTYLVZUPQSEXPD-GWCFXTLKSA-N 311.223 2.339 10 10 DECE OCc1ccc(N2CC(n3ccc(Br)n3)C2)cc1 2314922913 BDOCNIFBIIFEDA-UHFFFAOYSA-N 308.179 2.199 10 10 DECE CCCN(CCC)S(=O)(=O)N[C@@H](C)c1ccccc1O 867834421 OCHSBHJUFCLKNG-LBPRGKRZSA-N 300.424 2.410 10 10 DECE CCC1=NN(C)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332141293 RQGAWTRCLAJXFY-UHFFFAOYSA-N 304.346 2.334 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](C)O1 57660761 HLDDCRKHAVAFQE-KBPBESRZSA-N 317.433 2.388 10 10 DECE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(O)nc(O)c1 170223164 WSXXSDCPWPORJR-UHFFFAOYSA-N 309.665 2.307 10 10 DECE NCc1ccc(N2CCN(CC(F)(F)F)CC2)cc1Cl 61940702 NFHUNCXZKLVYKB-UHFFFAOYSA-N 307.747 2.483 10 10 DECE CC[S@@](=O)CCNCc1cc(OC(F)(F)F)ccc1O 2361168107 JIYQXFOSRHOILZ-HXUWFJFHSA-N 311.325 2.149 10 10 DECE Cc1noc([C@@H]2COCCN2Cc2cc(Cl)ccc2O)n1 188475759 QYINICPMZURBFH-LBPRGKRZSA-N 309.753 2.311 10 10 DECE O=C(c1cc(Cl)ns1)N1CCc2cc(O)c(O)cc2C1 2366909085 CTVSARADPKEOHN-UHFFFAOYSA-N 310.762 2.406 10 10 DECE O=C(NCc1cc(Br)ccc1O)C1(O)CCCC1 804736300 REAKWLDORBWSNK-UHFFFAOYSA-N 314.179 2.076 10 10 DECE CCOc1ccncc1S(=O)(=O)Nc1ccc(O)c(C)c1 821191850 PTMRDUFIJIHMGF-UHFFFAOYSA-N 308.359 2.295 10 10 DECE COCCN1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835034950 CIVHHSQQFBKOAV-SNAWJCMRSA-N 317.477 2.466 10 10 DECE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCNC23CCCC3)c1O 843127897 JHRKGGGWCUTKKT-ZDUSSCGKSA-N 321.377 2.073 10 10 DECE CCc1nc([C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1 849744671 FQAAQDOXEAYRCM-VPIOIWJLSA-N 303.318 2.096 10 10 DECE CC(C)C[C@@H](N)CN(C)Cc1ccc(N2CCOCC2)cc1 841004413 QMLMIYMGHDDLDV-QGZVFWFLSA-N 305.466 2.328 10 10 DECE CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)N1 858822729 OXKLUYHRPJVIIL-WDEREUQCSA-N 309.366 2.189 10 10 DECE COc1cccc(CNCc2ccc(CNC(C)=O)cc2)c1O 850341740 DXABIWJGUNPWPV-UHFFFAOYSA-N 314.385 2.327 10 10 DECE C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cncnc1 863862471 UMORVTGBXDBSTD-NSHDSACASA-N 302.353 2.102 10 10 DECE COC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 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PIPPOGGIQRPHNB-UHFFFAOYSA-N 322.386 2.086 10 10 DECE COc1ccccc1OCC(=O)NCc1c(O)cccc1F 1558454447 ATLWKFBJCVJKLS-UHFFFAOYSA-N 305.305 2.235 10 10 DECE [N-]=[N+]=NCCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1912147536 KGINVURSWCKQAE-CVEARBPZSA-N 301.394 2.272 10 10 DECE Cn1ncc(C2CCC2)c1C(=O)NCc1cc(O)ccc1O 1651225213 AEMKIMOTMHCTHW-UHFFFAOYSA-N 301.346 2.029 10 10 DECE Cc1c(/C=C/C(=O)N2CCN(C)Cc3ccccc32)cnn1C 163355169 FYKYGIJVBVMGQK-CMDGGOBGSA-N 310.401 2.220 10 10 DECE COCCN(CCOC)/N=N/c1ccc(OC)c([N+](=O)[O-])c1 1860484184 BBPIRDATXJIWSL-CCEZHUSRSA-N 312.326 2.197 10 10 DECE CCCOC(=O)c1ccc(/N=N/N2CCC(C(N)=O)CC2)cc1 1860489580 UJUYJXVNIGLEBM-VHEBQXMUSA-N 318.377 2.449 10 10 DECE CCN1C(=O)[C@H](C)Oc2ccc(N3[C@H](C)CNC[C@H]3C)cc21 250249221 IJGJXQBRIDTCTN-UPJWGTAASA-N 303.406 2.007 10 10 DECE CCOc1cccc(CNCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1O 1857866832 GJUSJTSNQHUQAS-ZIAGYGMSSA-N 320.433 2.385 10 10 DECE C[C@H]1C[C@@H](CNCc2cc(Cl)ccc2O)CCS1(=O)=O 1967901923 PFYOERGADGTPOX-QWRGUYRKSA-N 317.838 2.349 10 10 DECE Nc1ccc(CS(=O)(=O)NCCCCC(F)(F)F)cc1 130259517 NYPDGRYUGKWQHP-UHFFFAOYSA-N 310.341 2.421 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc([N+](=O)[O-])cc2O)C1 1952211839 QMECWCXQXHNZTF-GFCCVEGCSA-N 323.349 2.182 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O 1977889067 YEJAVYVLLBLRMP-GFCCVEGCSA-N 321.421 2.416 10 10 DECE COc1nscc1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155555988 PJSALISKYUTHBY-MRVPVSSYSA-N 317.396 2.005 10 10 DECE C[C@H](O)[C@@H]1CCCN1c1ccc(CO)c(Br)c1 2018122443 XITBZMWPEBUMBQ-ZANVPECISA-N 300.196 2.291 10 10 DECE CC[C@H](C)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490769 LLDTXQZWPKJRAN-NWDGAFQWSA-N 300.424 2.002 10 10 DECE O=C1Nc2cc(N3C[C@H]4CC[C@H]4C3)c(Br)cc2[C@@H]1O 688294259 WRHATBQBMUBDCD-DAROEXNTSA-N 323.190 2.281 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCn2ncnc2C1 2165203235 VKGAORPRWVJHIS-JTQLQIEISA-N 313.188 2.395 10 10 DECE C[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2O)CCS1(=O)=O 389366075 DBMLAXOODAEROJ-WRWORJQWSA-N 324.229 2.364 10 10 DECE CN1CC2(CCN(c3ccc(CN)c(Br)c3)C2)C1 398616714 IIRDCQPMSSKOJO-UHFFFAOYSA-N 310.239 2.050 10 10 DECE CNC(=O)c1cc(C)nn1Cc1cccc(C(F)(F)F)c1O 2070174105 WHYSCYCXXLZXSK-UHFFFAOYSA-N 313.279 2.324 10 10 DECE Cc1cccc([C@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c1O 2070645997 OWQIYFUENQYCJF-JTQLQIEISA-N 301.346 2.104 10 10 DECE O=C1Nc2cc(N3C[C@@H](F)C[C@@H](F)C3)c(Cl)cc2[C@H]1O 2182596776 LIMIEAGNYXLBSJ-KEHGIVTQSA-N 302.708 2.212 10 10 DECE CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(CN)cc1Br 2054271273 VJDLKDRKIOLGMZ-CNDDSTCGSA-N 311.223 2.236 10 10 DECE C[C@@H]1[C@H](O)CN1c1ccc(CNC2CC2)cc1Br 2062243816 DUXSNURMGPHHON-YMTOWFKASA-N 311.223 2.271 10 10 DECE CCN1C[C@H]2C[C@H]1CN2c1ccc(CO)cc1Br 2067405300 PNMFMQZJBCLRKI-NWDGAFQWSA-N 311.223 2.224 10 10 DECE CN[C@@H](C)c1ccc(N2CC([N+](=O)[O-])C2)c(Br)c1 2071558688 PZRCUWXOPHTODE-QMMMGPOBSA-N 314.183 2.195 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)c(Br)c1 2078297387 HJITWEPHGRPDCT-JMLLCIOISA-N 312.207 2.319 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CO[C@@H]2COC[C@H]12 2101876875 HNOJJROFWXPYPQ-YUSALJHKSA-N 304.173 2.202 10 10 DECE COc1ccc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc1C 2210942454 CMRMLKCFOUQARS-UHFFFAOYSA-N 322.405 2.079 10 10 DECE CS(=O)(=O)c1cscc1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2288496872 MSWRKXUUUCGHDO-MRVPVSSYSA-N 314.392 2.067 10 10 DECE NCc1cc(F)c(N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1Br 2309931346 UXXCBIOILFJPKJ-HAGUPOPPSA-N 315.186 2.006 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@H]1O 249307383 GTIKAIOULFVUMY-ZWKOTPCHSA-N 304.434 2.259 10 10 DECE COc1ccc(O)c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 245855572 NLCVOJLUEKINDK-BFYDXBDKSA-N 307.390 2.169 10 10 DECE CC(C)(C)[C@H](O)C[C@H](CO)NCc1cccc(Cl)c1O 284954512 HRBQYMMRNIGMRX-DGCLKSJQSA-N 301.814 2.293 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](c2cccc(O)c2O)[C@H](CN)C1 382680627 AQMPXSITXQDJTK-PWSUYJOCSA-N 308.378 2.007 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cnn(C)c1C 819760665 HJHOYPPLQAIQPD-UHFFFAOYSA-N 322.405 2.169 10 10 DECE C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1CO 907632013 JJQFUTYGYWPONP-WCBMZHEXSA-N 307.371 2.155 10 10 DECE C[C@H](CN1CCOCC1)NC/C=C\c1ccc(N(C)C)cc1 835035773 LXNIAVIGTCNIIC-YIEVGGLXSA-N 303.450 2.076 10 10 DECE CCC[C@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 835028039 IRBRESNNHOOHHF-UABRLCRWSA-N 301.434 2.366 10 10 DECE N=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CCCO1 849028758 XGXRRJMZHJBDKX-JTQLQIEISA-N 318.204 2.492 10 10 DECE CCN(C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(OC)cc1 747681520 AOULTPGMXBMNSN-WBVHZDCISA-N 309.406 2.078 10 10 DECE COCc1noc([C@@H](C)N2CCCc3cc(CN)ccc32)n1 843349796 CSRIKYDCNVWWRB-LLVKDONJSA-N 302.378 2.189 10 10 DECE C[C@]1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1(F)F 849364276 VHIXWIACDWARMP-CQSZACIVSA-N 310.300 2.202 10 10 DECE CN1CCCc2cc(CNC(=O)C3(NC4CC4)CCC3)ccc21 852864150 XKESOXZVFPYLIO-UHFFFAOYSA-N 313.445 2.360 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nccn2C)c1 852687749 BEKWIEAOOQKMRL-WDEREUQCSA-N 318.377 2.256 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ccncc3F)C2)cc1 855230269 FHVVSIRMBXHOOO-GFCCVEGCSA-N 315.348 2.238 10 10 DECE Oc1cccc(Br)c1CN1CCN(C2CC2)CC1 862216812 RWRGHQZGFWRGIE-UHFFFAOYSA-N 311.223 2.435 10 10 DECE CCO[C@]1(CSc2ncc(C(=O)OC)s2)CCOC1 2271588989 CNRNJNHOYXIKSS-GFCCVEGCSA-N 303.405 2.217 10 10 DECE O=C(COC(=O)c1cccc(O)c1O)Nc1ccccc1F 776282268 QDPROUDTPWXMQQ-UHFFFAOYSA-N 305.261 2.032 10 10 DECE Cc1cc(Br)c(O)c(CN2C[C@H](O)C[C@@H]2C)c1 788266657 ATUGLBBLJQAEMQ-GXSJLCMTSA-N 300.196 2.418 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21C(=O)N1CC(N=[N+]=[N-])C1 1895875260 HSHQMOILNLXQSO-XDMRBOTDSA-N 321.381 2.201 10 10 DECE CCOc1cccnc1C(=O)NCc1ccc(OC)cc1O 794382016 VHJUPLXIEJTUMD-UHFFFAOYSA-N 302.330 2.125 10 10 DECE CCN1C(=O)/C(=C/c2ccc3c(c2)NC(=O)CO3)SC1=S 794925843 DXEJBXYMAPMWQP-WDZFZDKYSA-N 320.395 2.239 10 10 DECE O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1c(F)ccc(O)c1O 1306671293 QATFZSPMTXQFAL-GFCCVEGCSA-N 322.380 2.231 10 10 DECE C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)c2nccn21 1228340675 TUHNKYQCTRYDOO-DGCLKSJQSA-N 300.362 2.436 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCCN=[N+]=[N-])[C@@H](C2)C1 1963817566 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10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@H]2[C@@H](C)O)c1O 2220454218 QYFYITOVBSATCP-VHSKPIJISA-N 316.195 2.022 10 10 DECE CCN(Cc1c(Br)ccc(OC)c1O)C[C@H](C)N 2220465168 YRXHGXBWVKVQLY-VIFPVBQESA-N 317.227 2.332 10 10 DECE CC(C)C[C@H](NCc1cccc(Br)c1O)C(N)=O 2253502405 VMGKYKFLLPQECY-NSHDSACASA-N 315.211 2.144 10 10 DECE CCOC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1 2297321558 AXISFPMXIQSBTO-UHFFFAOYSA-N 323.395 2.117 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 2308005798 IDUQXHDPKPSPFW-JLZZUVOBSA-N 315.369 2.185 10 10 DECE Cn1nc(Br)c(N[C@H]2CCc3cccc(O)c32)n1 2320060504 VITBTWXXRZEVQY-QMMMGPOBSA-N 309.167 2.383 10 10 DECE CN(C)[C@@H]1C[C@H]2C[C@@H]1CN2c1ccc(CN)c(Br)c1 2340980448 BIGOWLVSKQCTDF-UXIGCNINSA-N 324.266 2.437 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CCCC3)c(Br)cc21 118589716 CDEOWCMJBWMSBR-GFCCVEGCSA-N 310.195 2.262 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1 172607896 DBCCKGFUYVUUBH-KBPBESRZSA-N 307.438 2.349 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccn(C2CC2)c1=O 184147694 USRWFXPVDSWEBJ-JTQLQIEISA-N 301.346 2.033 10 10 DECE C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc2ccccc2c1O 321470483 HNLINJUFAZFEMO-NHYWBVRUSA-N 312.369 2.343 10 10 DECE CCS(=O)(=O)CCCn1ccc2c(C[C@H](C)N)cccc21 86981377 BJOOHQRZYQCTTE-ZDUSSCGKSA-N 308.447 2.356 10 10 DECE COCCCN1C(=O)/C(=C/c2cc(C#N)n(C)c2)SC1=S 190397166 CFRKIRAFRMQXFI-GHXNOFRVSA-N 321.427 2.134 10 10 DECE COc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)c(O)c1 91833363 CJPWBCYZDMNHPA-CYBMUJFWSA-N 303.362 2.472 10 10 DECE Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCCS(=O)(=O)C1 250985902 RTBJFXXQZBKUOP-FRRDWIJNSA-N 309.431 2.416 10 10 DECE CC1(C)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 264590594 YYWVCUYXOCSMSW-CDVVCGDMSA-N 300.402 2.451 10 10 DECE Cc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c(O)c1O 363857976 QMKSBSBHYSUSGU-LBPRGKRZSA-N 305.374 2.437 10 10 DECE CCN1CC(=O)N(Cc2ccc(N(CC)CC)c(F)c2)C1=O 272381064 ITQGYCZJFSTCQZ-UHFFFAOYSA-N 307.369 2.456 10 10 DECE O=C(NCc1ccccc1O)N[C@@H]1COc2ccc(F)cc2C1 378109293 PDSDYOCPBBWKOW-AWEZNQCLSA-N 316.332 2.334 10 10 DECE COc1ccc(N2CCN(CN3C(=O)CCC3(C)C)CC2)cc1 808135111 GWXZHGGLJYNKCP-UHFFFAOYSA-N 317.433 2.176 10 10 DECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1C(F)F 801139175 YECFSIBSCJTUJL-KBPBESRZSA-N 310.344 2.041 10 10 DECE CC(=O)C(=O)COC(=O)c1ccc(-n2cnc3ccccc32)cc1 808492619 ZKSURYVZJNRFFB-UHFFFAOYSA-N 322.320 2.340 10 10 DECE CN(C)c1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1 829927346 QLRGGFQTKCQWDJ-GOSISDBHSA-N 300.402 2.456 10 10 DECE CN(C)c1ccc(/C=C/CN(CC(=O)O)C2CCOCC2)cc1 901983874 JBMNDEAJZYYYNC-ONEGZZNKSA-N 318.417 2.331 10 10 DECE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC1(F)F 831932858 KFAMAOMPQFVFGW-QMMMGPOBSA-N 306.106 2.426 10 10 DECE CNC(=O)[C@@H]1CCC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 835041538 MVANPLDIZPTSGI-MBZYTVFJSA-N 301.434 2.270 10 10 DECE Cc1cc(O)c(CNC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 840890787 RJFJNEARDNOVAR-OLZOCXBDSA-N 310.825 2.307 10 10 DECE COc1ccc(O)c(CN(CCN)CCc2ccccc2)c1 843121311 CTMNFHMQMHCGKI-UHFFFAOYSA-N 300.402 2.404 10 10 DECE C[C@H](NC(=O)N(C)CC1CN(C)C1)c1ccc(N(C)C)cc1 852261999 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CO[C@H]1CN(CCN=[N+]=[N-])[C@@](C)(CNC(=O)OC(C)(C)C)C1 1962303253 GLTULRQOXDBZJJ-BXUZGUMPSA-N 313.402 2.301 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1cn(C)nc1Br 2116552160 SAJGTBNHDRRNQA-UHFFFAOYSA-N 323.194 2.037 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1-n1cccn1 1295141067 KUKCVWGRGRYDPO-UHFFFAOYSA-N 323.352 2.142 10 10 DECE CCCOc1cccnc1C(=O)NCc1c(O)cccc1O 1456235712 NAWZJVWEAMULBQ-UHFFFAOYSA-N 302.330 2.212 10 10 DECE C[C@H]1CNc2c(C(=O)N[C@H](C)c3ccccc3O)cnn2C1 1528711658 DQEHEGTUWBWJGM-WDEREUQCSA-N 300.362 2.141 10 10 DECE CN(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1F 1558919297 IZNSLEAZXLYSPY-UHFFFAOYSA-N 322.311 2.372 10 10 DECE CO[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1637125966 JKRUHDVGXFTHBT-HNNXBMFYSA-N 305.305 2.241 10 10 DECE COC(CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)OC 1640771116 STZWLIGAXLIRSE-UHFFFAOYSA-N 302.374 2.443 10 10 DECE COc1sccc1S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912211716 ZNWYMYUUMKWQLX-MRVPVSSYSA-N 302.381 2.078 10 10 DECE O=C(NCc1c(O)cccc1O)[C@@H]1COc2cc(F)ccc2C1 1597574217 KMWXDPFSHPLPOS-NSHDSACASA-N 317.316 2.104 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cncc3nc[nH]c23)c1 1595806370 ILPVYEZUBUETML-SECBINFHSA-N 312.329 2.163 10 10 DECE CC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1920533984 BPPJCALRTRLOON-PBHICJAKSA-N 324.421 2.319 10 10 DECE CN1CCc2cc(CNC3CCC4(CC3)OCCO4)ccc21 119215263 KRJTUEXFSHNCOC-UHFFFAOYSA-N 302.418 2.454 10 10 DECE CN[C@H](c1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1936970432 LYHXPFRMYHEEGN-HUUCEWRRSA-N 322.405 2.289 10 10 DECE C[C@H]1CS(=O)(=O)CCN1[C@H](C)c1ccc(Cl)cc1O 2138558470 XAAOOIFIJKEOFW-VHSXEESVSA-N 303.811 2.226 10 10 DECE O=C(O)[C@H]1CCN[C@H](c2cccc(Br)c2O)C1 1952535241 CJUKQDLWTUEKHU-XVKPBYJWSA-N 300.152 2.280 10 10 DECE CC(C)(C)OC(=O)NC(C)(C)[C@@H](N)Cc1ccc(O)c(O)c1 1952827373 MHWPQWZVDJYPBG-ZDUSSCGKSA-N 310.394 2.271 10 10 DECE O=C1C[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2N1 2145060979 WHZHRARZMOGEFP-PELKAZGASA-N 315.200 2.409 10 10 DECE CC(F)(F)C1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2151463932 VCCGKODAJPQKON-LLVKDONJSA-N 302.708 2.417 10 10 DECE Oc1cccc(CNCCOC(F)(F)C(F)(F)F)c1O 720223338 INZYASWPPRBHFP-UHFFFAOYSA-N 301.211 2.359 10 10 DECE CC[C@@H]1CN(c2ccc(CNC)cc2Br)C[C@H]1O 399981451 XWDKDOAVHPHXSG-BXUZGUMPSA-N 313.239 2.376 10 10 DECE CC1(C[C@](CSc2nccs2)(NC2CC2)C(N)=O)CC1 2207933734 SJKLGKPJCIAEBV-CQSZACIVSA-N 311.476 2.402 10 10 DECE COC(=O)c1ccc(N)c(NCc2cnc(SC)s2)n1 2284656727 ZGPRGGCADIEYOZ-UHFFFAOYSA-N 310.404 2.241 10 10 DECE CSc1ncc(CNC(=O)c2cc(=N)[nH]cc2Cl)s1 2269302365 KDJLEOVVUFAJEF-UHFFFAOYSA-N 314.823 2.256 10 10 DECE CS[C@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2303372293 DSRYPDARGCQJAV-CQSZACIVSA-N 320.458 2.404 10 10 DECE Cc1c([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)cnn1C 2307990255 CUIPCEQVSCGJLO-SNVBAGLBSA-N 301.346 2.030 10 10 DECE Cc1ccc(CN2C[C@@H](O)C2(C)C)c(O)c1Br 2307570457 OQMNSZXVFBIMSL-SNVBAGLBSA-N 300.196 2.418 10 10 DECE OCc1ccc(N2C[C@H]3CC[C@H]2C[C@H]3O)c(Br)c1 2315482926 HFKVYTDNFPMYDG-UHIISALHSA-N 312.207 2.291 10 10 DECE Cc1ccc(CN(C)C(C)(C)C(N)=O)c(O)c1Br 2327574399 MXHRBKCOCPWSNN-UHFFFAOYSA-N 315.211 2.159 10 10 DECE COc1ccccc1C(=O)NCCc1cc(O)c(O)cc1C 170184262 KIIIIQJOFXOKNF-UHFFFAOYSA-N 301.342 2.387 10 10 DECE O=C(CNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(Cl)c1 170190520 QOZFUEZPWVXVCK-UHFFFAOYSA-N 321.716 2.070 10 10 DECE COc1ccc([C@H](C)NC(=O)c2cc(O)nc(O)c2)cc1OC 170223129 AOAPNSOPJGCQFW-VIFPVBQESA-N 318.329 2.001 10 10 DECE CC(C)CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1351823064 RMRUGVATVGAECW-UHFFFAOYSA-N 316.401 2.272 10 10 DECE CN(c1ccc(CO)cc1Cl)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361700204 GVBVDUDXVKGBRN-RYUDHWBXSA-N 317.838 2.234 10 10 DECE Cc1cccc(CN2CCC(c3ccnn3CCO)CC2)c1O 179982276 VNIQSALOVXGEIS-UHFFFAOYSA-N 315.417 2.269 10 10 DECE CN(Cc1ccc(N2CCOCC2)cc1)CC1(N(C)C)CCC1 189008909 IUAFEHGKPPKGOJ-UHFFFAOYSA-N 317.477 2.439 10 10 DECE CO[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 187824513 YIDVGAYCEOGDFG-ZBFHGGJFSA-N 305.422 2.462 10 10 DECE CCN(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 77241908 IIHDSIJNGHZVCQ-UHFFFAOYSA-N 322.364 2.352 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(N)cc2)[C@H](N)C1 90624499 KNQIECLGZYEYSX-HIFRSBDPSA-N 305.422 2.107 10 10 DECE CN(C)c1ccc([C@@H](N)c2c(Br)cnn2C)cc1 97461548 DWXIDZGHJFSKSK-GFCCVEGCSA-N 309.211 2.297 10 10 DECE CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 246039620 AJQNACSSWVWNQQ-NUEKZKHPSA-N 316.401 2.491 10 10 DECE CC[C@H]1CN2CCC[C@H]2CN1Cc1cc2c(cc1O)OCO2 248397502 LUKQWYOTTJPJIS-KBPBESRZSA-N 304.390 2.180 10 10 DECE CCNC(=O)N1CC[C@@H](NCc2cc(Cl)c(F)cc2O)C1 293499321 BIJUCBMAQPVJRV-SNVBAGLBSA-N 315.776 2.078 10 10 DECE O=C1N[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)[C@@H](C2CCCC2)O1 725379572 OHSKVMQMIHSCQW-DGCLKSJQSA-N 308.290 2.346 10 10 DECE Cc1cc(O)c(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1C 824655418 WGUHEBZZOKLSJQ-USXIJHARSA-N 305.418 2.371 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCc3nc[nH]c3C2)c1 830541513 ZCRHPUULMDFXRE-MNOVXSKESA-N 315.373 2.106 10 10 DECE Cc1c(C(=O)O)cnn1C1CCN(Cc2ccccc2O)CC1 901871034 KUKVDVRNNSKRPF-UHFFFAOYSA-N 315.373 2.432 10 10 DECE CCCN(Cc1ccccc1O)C(=O)NCC[C@@](C)(O)COC 838638457 WUDTVQVHTADGSX-QGZVFWFLSA-N 324.421 2.101 10 10 DECE CN(C)c1ccc(/C=C\CNCCN2CCSCC2)cc1 835041924 BSGDLFYZMDJMKV-ARJAWSKDSA-N 305.491 2.404 10 10 DECE C[C@H](NCc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 922014115 FXVYZNCFJNEJTJ-ZDUSSCGKSA-N 300.406 2.330 10 10 DECE CCCOCCOC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 859217085 KOSFXZIDBFIELX-CQSZACIVSA-N 322.405 2.427 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)OCC3CC3)C2)cc1 855231011 RUBCHWCYYUAQBP-DZGCQCFKSA-N 318.417 2.205 10 10 DECE COc1ccc(N2CCN(C(=O)NC[C@H]3C[C@H]3C)CC2)cc1F 753841541 VCHXVXXKQAFFHM-CHWSQXEVSA-N 321.396 2.322 10 10 DECE COC[C@@H](C)OC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 867429301 WYYWNHDHRRECNF-KGLIPLIRSA-N 322.405 2.283 10 10 DECE CN(C)CC(C)(C)CNC(=S)N1Cc2cccc(O)c2C1 865258938 SWJVFJDUEXBUOM-UHFFFAOYSA-N 307.463 2.170 10 10 DECE O=S(=O)(C[C@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 867690203 CMURCVNOEAVVNB-LLVKDONJSA-N 317.357 2.473 10 10 DECE COc1ccc(CNC(=O)c2cccc(NC(C)=O)c2)c(O)c1 794377014 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WSSFKCVJMOYSQZ-OSMZGAPFSA-N 312.207 2.149 10 10 DECE C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ccc(CO)c(Br)c1 2218457101 CYQGQZGKSBNPEN-UBHSHLNASA-N 312.207 2.291 10 10 DECE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ccc(N)cc1 2243047286 JSVGZROCQBTYJB-UHFFFAOYSA-N 322.453 2.162 10 10 DECE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1O 2293253072 SYVBFRUOBYCSOO-UHFFFAOYSA-N 316.342 2.040 10 10 DECE CSc1ncc(CNC(=O)Cc2ccc(CN)cc2)s1 2284504719 OOQMJOYOFUTHJI-UHFFFAOYSA-N 307.444 2.183 10 10 DECE CC(=O)NCCN1C(=O)C(=Cc2cccc(C)c2)SC1=S 2323719685 RSFSMPDGWMSORL-UHFFFAOYSA-N 320.439 2.332 10 10 DECE NC[C@H]1C[C@@H]2CC[C@H]1N2Cc1ccc(Br)cc1O 2309709297 YKTHVZPRVOBMBH-KGYLQXTDSA-N 311.223 2.466 10 10 DECE OCc1ccc(N2[C@H]3CC[C@H](C3)[C@@H]2CO)cc1Br 2310100144 ZWTGJXFBTUEMQC-PUYPPJJSSA-N 312.207 2.291 10 10 DECE CNC(=O)CCN(C)Cc1ccc(C)c(Br)c1O 2327796021 AKNHTTGWMPJXMD-UHFFFAOYSA-N 315.211 2.031 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2342662454 QBVCBVQAZDBENL-GHMZBOCLSA-N 324.229 2.364 10 10 DECE O=C(Nc1ccc(C2OCCO2)cc1)c1cc(O)c(O)c(O)c1 1148588302 RQUYPMQLWYFHQK-UHFFFAOYSA-N 317.297 2.101 10 10 DECE CSc1ncc(CNC(=O)[C@H]2C[C@@H]3CC[C@H]2CNC3)s1 2359403635 FYGHZOGFLPTTRN-NHCYSSNCSA-N 311.476 2.117 10 10 DECE C[C@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1O 183611086 NWIWXKKSPNOBEH-UWVGGRQHSA-N 302.296 2.206 10 10 DECE N#Cc1cc(CN)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 379907726 AEQYTPFRFUSPJX-MOPGFXCFSA-N 318.424 2.480 10 10 DECE COc1cccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O 246574991 ZPCGUUFOZORKAG-NILFDRSVSA-N 320.389 2.014 10 10 DECE CCCN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)CO)c(Cl)cc21 252809061 KYAAKZKMFFTXLC-OTYXRUKQSA-N 311.813 2.150 10 10 DECE Cc1ccc2c(c1)CCCN2C(=O)c1ccnc2c1CC(=O)N2 820405050 CIOMYCXEOUORPO-UHFFFAOYSA-N 307.353 2.478 10 10 DECE CN(C)c1ccc(/C=C/CN[C@H](CO)[C@H]2CCCOC2)cc1 840964605 YQNYPQNCEGELIX-NBQNJAIASA-N 304.434 2.143 10 10 DECE Cc1ccc(C(=O)N[C@]2(c3ccccc3)C[C@H](O)C2)c(O)c1O 914180156 GRXYWLKFZKYOLN-QGGXVJLZSA-N 313.353 2.186 10 10 DECE O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(O)c1O 848345979 AODPFBURTFAYBI-LDYMZIIASA-N 319.279 2.328 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H](N)C(C)C)c1 851678183 QICOGZHMUACYAH-SMDDNHRTSA-N 309.410 2.134 10 10 DECE CO[C@@]1(CNC(=O)N[C@H](C)c2ccccc2O)CCSC1 925383760 ZIVRDJCCKZXXHD-IAQYHMDHSA-N 310.419 2.275 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)C2(NC3CC3)CCC2)c1 852883130 BFNJKXSSWKWMKL-LLVKDONJSA-N 304.390 2.253 10 10 DECE CCO[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 862158450 HPVIGMBMSDKCQS-PBHICJAKSA-N 320.433 2.451 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCn2ccnc2C1 862025038 LRHMBSKGARCVME-CYBMUJFWSA-N 322.368 2.016 10 10 DECE COc1cc(Cl)cc(CN2CCSC[C@@H]2CCO)c1O 761201632 CHNQKZQFEKZWJZ-LBPRGKRZSA-N 317.838 2.354 10 10 DECE CON1CCC(C(=O)NCCCSc2nccs2)CC1 865783565 REUFNGGJDQRHNG-UHFFFAOYSA-N 315.464 2.015 10 10 DECE O=C(CN1C(=O)CCc2ccccc21)N1Cc2cccc(O)c2C1 871202683 LFHCZEUFBVWVIR-UHFFFAOYSA-N 322.364 2.214 10 10 DECE O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(O)c1O 776325653 OPSSXSFNGNOIOY-UHFFFAOYSA-N 317.732 2.329 10 10 DECE CCc1[nH]c(CNCc2cccc(OC)c2O)cc1C(=O)OC 894766545 RDFDEMFOYSUHBV-UHFFFAOYSA-N 318.373 2.368 10 10 DECE COC(=O)c1c(CNCCCN(C)C)c2cc(F)ccc2n1C 894146130 MJLCATRYJDSBOE-UHFFFAOYSA-N 321.396 2.145 10 10 DECE O=C(O)[C@H](CCF)NCc1c(O)cccc1Br 1331845068 GYGFYFHLCBJGAE-VIFPVBQESA-N 306.131 2.057 10 10 DECE O=C(NCc1cccc(O)c1O)[C@@H](CO)c1ccc(Cl)cc1 1153798382 QRDRZJPOXIHKQE-ZDUSSCGKSA-N 321.760 2.144 10 10 DECE CN1CCc2cc([C@@H](O)CNC(=O)/C=C\c3ccco3)ccc21 1080793787 QIFQMVDONUKJCJ-WVRJYTFGSA-N 312.369 2.135 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1CC1CCOCC1 1304794429 JUJMCEKNABVNAQ-UHFFFAOYSA-N 316.405 2.355 10 10 DECE C[S@@](=O)c1cccc(C(=O)NCc2c(O)cccc2F)c1 1306899036 WPVPSUXZRALGGA-OAQYLSRUSA-N 307.346 2.199 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2OCCO[C@@H]2C1 1964602161 FQTVTXKTSIGSNI-TXEJJXNPSA-N 304.173 2.299 10 10 DECE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C1CCCC1 1177713625 WRJRKXAZBUUDQV-CYBMUJFWSA-N 318.417 2.116 10 10 DECE Oc1cc(Br)ccc1CN1C[C@H]2CNC[C@@H](C2)C1 719059731 CZZDFDQTAMUQMZ-GHMZBOCLSA-N 311.223 2.196 10 10 DECE Cc1ccc(O)c(CNC(=O)c2n[nH]c(C)c2Br)c1 1470254608 JPAZTYGXMCYMHJ-UHFFFAOYSA-N 324.178 2.425 10 10 DECE CN(C)CCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1616756492 DVIBBVCIQONDOK-UHFFFAOYSA-N 314.385 2.383 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CC(N)=O)cc1 1540459496 KETWUEWEDXCKIN-CYBMUJFWSA-N 305.422 2.003 10 10 DECE C[C@H](CCN(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 1618594375 WUAPAKIRFRVQDN-CYBMUJFWSA-N 305.422 2.066 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cnc(-c2ccccc2)[nH]1 1626850418 VHZFRMGVJQGXLR-UHFFFAOYSA-N 309.325 2.418 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)cn1 1558534479 QZZXHJZBYAGYOV-UHFFFAOYSA-N 312.247 2.442 10 10 DECE [N-]=[N+]=NCC1CCN(S(=O)(=O)C[C@@H]2CC[C@H](F)C2)CC1 1912147979 NNPRHDNNYQCOPF-NEPJUHHUSA-N 304.391 2.477 10 10 DECE O=C(NCc1cccc(Cl)c1O)c1ccnc2ccnn12 1653567218 POLHOEVDVCUJIH-UHFFFAOYSA-N 302.721 2.018 10 10 DECE CN(CCOCCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1977895026 XDGNLLOAUFWOMT-UHFFFAOYSA-N 323.437 2.242 10 10 DECE O=C1Nc2cc(N3CC(CC(F)F)C3)c(Cl)cc2[C@H]1O 2152303039 OXWHESHLVAGEEL-GFCCVEGCSA-N 302.708 2.417 10 10 DECE COCCNCc1cnc(Sc2n[nH]c(C3CC3)n2)s1 2155314068 PTMBKDJHDMYJSB-UHFFFAOYSA-N 311.436 2.026 10 10 DECE C[C@H](O)c1ccc(N2C[C@H]3C[C@]3(CO)C2)cc1Br 2029636799 XIBAUTJPJKCZTM-IMSIIYSGSA-N 312.207 2.321 10 10 DECE Cn1cnc(CCNCc2cc(Br)ccc2O)c1 313279217 CCGOEXYHFJJJTL-UHFFFAOYSA-N 310.195 2.221 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1nn(C)cc1Br 693044852 SUMZMPMAWVTTFR-UHFFFAOYSA-N 323.194 2.037 10 10 DECE CC(=O)c1cc(Cl)cc(CN(C)CC[S@](C)=O)c1O 399875937 RKCBFXNFVIVSKX-IBGZPJMESA-N 303.811 2.059 10 10 DECE CCNC(=O)c1ccnn1Cc1c(O)cccc1Br 2069928131 KHWIZLJHMAKZHD-UHFFFAOYSA-N 324.178 2.149 10 10 DECE C[C@H](c1c(O)cccc1F)n1ncc(S(C)(=O)=O)c1Cl 2070244608 ISWQIHKMQHEZGJ-SSDOTTSWSA-N 318.757 2.394 10 10 DECE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2C[C@@H]3O)cc1Br 2052013998 KOOHVAOJFWPTQI-VKZHRDFRSA-N 312.207 2.462 10 10 DECE CN(c1cc(Br)c(CN)cc1F)C1(CCO)CC1 2069693698 JOZKYCGZXLHWEA-UHFFFAOYSA-N 317.202 2.398 10 10 DECE COc1ccc(N2CC[C@H](O)C2)c(OC)c1Br 2214055505 QJNRXHYJEVODMR-QMMMGPOBSA-N 302.168 2.037 10 10 DECE CCOC(=O)CCCNC(=O)NCc1cnc(SC)s1 2284503090 YZERUSQACJONAA-UHFFFAOYSA-N 317.436 2.008 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CC(C)(C)[C@@H]2C(=O)O)s1 2284494067 IYKRGIQDZUNZMR-BDAKNGLRSA-N 314.432 2.228 10 10 DECE CCN(C(=O)NCc1cnc(SC)s1)[C@H](C)CC(=O)O 2284544680 RPQOKYDQURICPA-MRVPVSSYSA-N 317.436 2.260 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CC[C@@H](CN3CCCC3)C2)c1 172646981 UAQYSZBRLLBCEI-ZDUSSCGKSA-N 305.378 2.218 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 2364100660 KUNONUSORBNMSW-VXGBXAGGSA-N 302.400 2.050 10 10 DECE CNC(=O)[C@H](CC(C)C)NCc1cc(Cl)cc(OC)c1O 228672394 HHVIQWUKQDVOGF-LBPRGKRZSA-N 314.813 2.305 10 10 DECE CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)[C@@H]1n1cccn1 815166973 NJYFXQKJWITSAI-KURKYZTESA-N 314.433 2.457 10 10 DECE CO[C@@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 826952860 VJMDQVIEJRJLSW-SUZKBHRPSA-N 304.434 2.239 10 10 DECE C/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 900627172 PQNLCBLGZQGRBM-REMYHPOOSA-N 302.418 2.476 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@]2(C(=O)O)C[C@H]2C)cc1F 901943015 GULPDMWQYKSZJO-DIFFPNOSSA-N 322.380 2.399 10 10 DECE CN(C)c1ccc(/C=C\CNCCCN2CCOC2=O)cc1 835035333 AQUYSLSXOKEXND-HYXAFXHYSA-N 303.406 2.198 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2CCCN2CCCO)cc1 835055812 ZMJMRGDWKJYXTA-NAASZUNDSA-N 317.477 2.202 10 10 DECE CC(C)[C@H](N)CCNC(=O)NCc1ccc(N2CCCC2)cc1 851654995 MAPUXLZVJFXBBF-QGZVFWFLSA-N 318.465 2.459 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)CC3(OC)CCC3)C2)cc1 855226583 QUKPULLOYUMCFI-CQSZACIVSA-N 318.417 2.349 10 10 DECE COCc1nsc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 853759630 YMADKWFSOXIUAF-NSHDSACASA-N 320.418 2.384 10 10 DECE COc1cc(CN2CCO[C@H](CCCN(C)C)C2)c(O)cc1C 853625272 QWZCUHWHJZPPDO-MRXNPFEDSA-N 322.449 2.252 10 10 DECE CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 853583885 YEMLYLBUDJKWDI-INIZCTEOSA-N 317.433 2.069 10 10 DECE CN(C)c1ccc(CNC(=O)NCc2ccnc(F)c2)cc1 866091636 XQFAPMYLMNOJFZ-UHFFFAOYSA-N 302.353 2.286 10 10 DECE Cc1nccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 773212075 BYAISHCOFAQJGP-LBPRGKRZSA-N 313.405 2.411 10 10 DECE C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCO[C@H](C)C2)O1 798118979 PQXPSIGNFAMBGW-ZETOZRRWSA-N 311.403 2.252 10 10 DECE COc1ccc(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c(O)c1 794377269 QTVMXMSHQCVTQK-UHFFFAOYSA-N 324.336 2.172 10 10 DECE COc1ccc(Br)c(CN[C@H](C)[C@H](C)O)c1O 1964033315 SJXGSULRWOIPRT-SFYZADRCSA-N 304.184 2.022 10 10 DECE Nc1ccc(NCCN2CCN(Cc3ccccc3)CC2)cc1 390540686 HFQFBHAXGGJVFE-UHFFFAOYSA-N 310.445 2.499 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCCN=[N+]=[N-])C2 1963818608 WOMADFQBRULQGF-TUAOUCFPSA-N 323.397 2.449 10 10 DECE O=C(NCc1ccc2oc(O)nc2c1)NCc1ccccc1O 1248467562 MOALQPSMCCGODA-UHFFFAOYSA-N 313.313 2.238 10 10 DECE CCN(CC1CN(C)C1)c1ccc(CO)c(Br)c1 692232447 WWYUNFYQHGXUTH-UHFFFAOYSA-N 313.239 2.329 10 10 DECE CN(C)c1ccc(/C=C/CNCCN2CCC(CO)CC2)cc1 1261365888 BDVBAIFELLBIKO-ONEGZZNKSA-N 317.477 2.060 10 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2.153 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N3CCOC[C@@H]3C)c(Cl)cc21 118705366 VLRLBBXEJVHFFE-LKFCYVNXSA-N 309.797 2.168 10 10 DECE C[C@H]1CCN(Cc2cc(Br)ccc2O)[C@H]1C(=O)O 300438666 WGBLXTWCJZCABD-QPUJVOFHSA-N 314.179 2.450 10 10 DECE Cc1noc([C@H]2COCCN2Cc2cccc(Cl)c2O)n1 188477063 KHQUECIWRYLSPJ-GFCCVEGCSA-N 309.753 2.311 10 10 DECE O=S1(=O)CC[C@@H](CNCc2c(O)ccc3ccccc23)C1 38082579 PSFANABVXKEKOO-LBPRGKRZSA-N 305.399 2.070 10 10 DECE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCN(Cc2ccccc2)C1 379465267 WYBMYFHKVIMYRH-MRXNPFEDSA-N 317.393 2.094 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNC[C@H](O)[C@H]1CCCO1 527760158 WOFOPPOWDUBEQC-NWDGAFQWSA-N 306.189 2.329 10 10 DECE CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 264440529 WSCMNEBVMFJWKZ-MRXNPFEDSA-N 303.406 2.217 10 10 DECE CCOc1ccc(O)c(CN[C@@H](CO)C[C@H](O)C(C)(C)C)c1 283833455 FGKUYJCDFKSXTO-CJNGLKHVSA-N 311.422 2.039 10 10 DECE COc1cc(Cl)c(Cl)cc1C(=O)OCC(=O)C(C)=O 808523394 MHPJITBGXXYOAN-UHFFFAOYSA-N 305.113 2.317 10 10 DECE COc1ccc2ccc(O)c(CN3C[C@@H]4C[C@H]3C[S@]4=O)c2c1 844744079 DZBGXNWIBLGYCT-AHASJALOSA-N 317.410 2.259 10 10 DECE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(N)cc2)C1 841295912 JNKXQGSJDODZSL-NWDGAFQWSA-N 320.393 2.257 10 10 DECE CCOc1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c(O)c1 858327496 SEZSLWARFRSDJM-HIFRSBDPSA-N 319.361 2.102 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)c1 858546491 ABTLRKDGKYNVAB-OWRWGESLSA-N 305.374 2.397 10 10 DECE C[C@@H]1CC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)CS1(=O)=O 850371046 TXZZYXQTJARHKL-RCELQXLSSA-N 322.474 2.321 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)OCC(C)C)C2)cc1 855230154 NVWMBSFQNDRSHF-HUUCEWRRSA-N 320.433 2.451 10 10 DECE Cc1cn(C)nc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 930210467 MTMGRNUTXRHWEA-OAHLLOKOSA-N 314.433 2.416 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cnc2n1CCCC2 862026103 GZUCABNVWHTKOC-UHFFFAOYSA-N 322.368 2.403 10 10 DECE CCO[C@H]1COCC[C@H]1CC(=O)N(C)Cc1ccccc1O 866597669 WVWUZRVULUSRNT-BBRMVZONSA-N 307.390 2.182 10 10 DECE C[C@H](NC(=O)c1cc(C2CCNCC2)no1)c1ccccc1O 870987685 AGBMXIPMMSFPIF-NSHDSACASA-N 315.373 2.338 10 10 DECE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)cc2)C1 1959571257 ZSBOUBDXSIMHIJ-KOLCDFICSA-N 301.312 2.162 10 10 DECE C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(O)c(O)c1 1156452018 ZMRKZYJVEQTEMO-WCBMZHEXSA-N 303.280 2.440 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cncc(OCC(F)F)c1 1303225322 GDRGYJKPENPVPI-UHFFFAOYSA-N 324.283 2.067 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl 688545810 ABMWRJMVNQHWPH-WDEREUQCSA-N 318.870 2.490 10 10 DECE CCN(CC(=O)NCc1c(O)cccc1O)c1ccccc1 1472063529 LSURTJLWRZMMEH-UHFFFAOYSA-N 300.358 2.241 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(F)cc2nccnc12 1557084790 OMCCQWDNNLJRHJ-UHFFFAOYSA-N 313.288 2.110 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nncc2ccccc12 1556157801 JYWKCMRNSNZPLH-NSHDSACASA-N 323.352 2.402 10 10 DECE COC(=O)c1cc(NC(=O)c2cc(O)cs2)cc([N+](=O)[O-])c1 1634346967 BTUQZXXEHXQSFR-UHFFFAOYSA-N 322.298 2.401 10 10 DECE C[C@@H](NC(=O)c1nn(C)cc1Br)c1ccccc1O 1648889583 BZVWTDANDVEWST-MRVPVSSYSA-N 324.178 2.379 10 10 DECE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC(C)(C)O)cc1C 1570601633 NZBQKCGYPUWQJU-UONOGXRCSA-N 322.449 2.147 10 10 DECE O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cc(O)c(O)c(O)c1 1865875803 INWKIRKHOQXGMG-UHFFFAOYSA-N 323.688 2.407 10 10 DECE C[C@H](CCN)N(Cc1ccccc1)C(=O)c1cccc(O)c1O 1915385832 UIACGWQVKNOJNH-CYBMUJFWSA-N 314.385 2.478 10 10 DECE Cn1cc(Br)c(C[S@](=O)CCCN=[N+]=[N-])n1 1902035221 YDUNACNAABSTFU-MRXNPFEDSA-N 306.189 2.132 10 10 DECE CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1 1985101944 ZTCFSPYVGDANFV-LLVKDONJSA-N 323.397 2.450 10 10 DECE O=C(O)[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1O 2034478818 GBYIWKDHLFNWKC-UWVGGRQHSA-N 318.142 2.152 10 10 DECE C[C@@H](N)c1ccc(N2CC3(CN(C)C3)C2)c(Br)c1 2034800993 ADUVKNVFPIVIOX-SNVBAGLBSA-N 310.239 2.221 10 10 DECE Oc1c(Br)cccc1CN1CCN(CCF)CC1 402779455 OPXKGRLWJVOGCJ-UHFFFAOYSA-N 317.202 2.242 10 10 DECE C[C@@H]1OCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 380876831 ZUFKHSSSDSPUCW-CPCISQLKSA-N 320.172 2.373 10 10 DECE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1Cl 2170322344 CNBYGAWJALVUNW-DCAQKATOSA-N 317.838 2.405 10 10 DECE C[C@H](O)c1cc(F)c(N2CCSC[C@@H]2CCO)c(F)c1 2194508986 FMBQAJZRZUMALF-ONGXEEELSA-N 303.374 2.322 10 10 DECE Nc1ccc(CCNC(=O)c2nnc(Cl)cc2Cl)cc1 2184976087 QEWBHCLALWPVPV-UHFFFAOYSA-N 311.172 2.338 10 10 DECE NCc1cc(F)c(N2CC[C@H]3C[C@]3(O)C2)cc1Br 2051363243 RLDVAEKKHUOJFO-ZANVPECISA-N 315.186 2.008 10 10 DECE CNCc1ccc(N2C[C@H]3COCC[C@@H]32)cc1Br 2073010473 ZYBDVSJWHIZZQG-FZMZJTMJSA-N 311.223 2.394 10 10 DECE Nc1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 2106076896 FCNMURDICPHCDK-UHFFFAOYSA-N 301.730 2.257 10 10 DECE c1cc2c(cc1CN[C@H]1C[C@H]3C[C@H]1CC31OCCO1)CCO2 2110733563 NAQSVPMWYSYDAN-XHSDSOJGSA-N 301.386 2.253 10 10 DECE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)Nc1ccc(O)c(N)c1 2236145626 ZURUUAKCEBAXQQ-APPZFPTMSA-N 306.334 2.007 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1nccnc1Br 2256096415 QVZZCZYUSZEQIB-NKWVEPMBSA-N 311.143 2.200 10 10 DECE CN(Cc1cc(Br)ccc1O)[C@H]1CNCC12CC2 2258926564 RLDMKROFWMTHLB-ZDUSSCGKSA-N 311.223 2.339 10 10 DECE NC(=O)C1CCN(N=Nc2ccc([N+](=O)[O-])cc2Cl)CC1 2330288558 SGCMNSYVVRTZDD-UHFFFAOYSA-N 311.729 2.444 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 2364100657 KUNONUSORBNMSW-NEPJUHHUSA-N 302.400 2.050 10 10 DECE Cc1cc(C)n(CC(=O)NCCCSc2nccs2)n1 74136592 BMQDLEPSBTYFCZ-UHFFFAOYSA-N 310.448 2.255 10 10 DECE O=C(O)/C=C\c1ccc(N2CCC[S@](=O)CC2)c(Cl)c1 322252386 NJYCSHMFIXOWEA-BOYDRYHPSA-N 313.806 2.397 10 10 DECE C[C@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1O 136461729 TZRGXPSJMSLEAR-ZDUSSCGKSA-N 315.369 2.310 10 10 DECE COc1cc(C(=O)/N=N/N)c(Cc2ccccn2)c(Cl)n1 198785176 BUHAAUUOBHHTSD-UHFFFAOYSA-N 305.725 2.196 10 10 DECE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC[C@@H]1CCCO1 254958642 TUECPUVZKXOGHG-AFCDSYGPSA-N 317.385 2.259 10 10 DECE COC(=O)C1(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 279204986 LQALCPBCTILMMU-HNNXBMFYSA-N 319.401 2.326 10 10 DECE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2)c1C(C)C 808500861 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COc1cc(F)ccc1NS(=O)(=O)Cc1ccc(N)cc1 49563390 BUAIIUSVJRJQHN-UHFFFAOYSA-N 310.350 2.358 10 10 DECE COc1cc(Cl)cc(CN2C[C@@H]3CNC[C@H]3C2(C)C)c1O 252867095 RJKAJXANKUQFMP-WCQYABFASA-N 310.825 2.484 10 10 DECE c1cc(N2CCOCC2)ccc1CN1CCO[C@H](C2CC2)C1 368878642 DGLNNXPACKMLID-SFHVURJKSA-N 302.418 2.134 10 10 DECE O=S1(=O)CCC[C@H](CNCc2cc(Cl)c(F)cc2O)C1 293782881 BWTNXSKLYBPOJP-SECBINFHSA-N 321.801 2.099 10 10 DECE Cc1cc(C(=O)N2CCN(C3CC3)CC2)c(C)n1-c1ccccn1 299351737 MUYDPBUVDXQKJY-UHFFFAOYSA-N 324.428 2.409 10 10 DECE CC(=O)C(=O)COC(=O)c1sc(Cc2ccccc2)nc1C 808503392 NGOSHSGOURFHRW-UHFFFAOYSA-N 317.366 2.357 10 10 DECE CCN(CC)c1ccc(/C=C\c2cc(=O)n3[nH]cnc3n2)cc1 806570733 JFNHIUXEYRJABQ-YVMONPNESA-N 309.373 2.434 10 10 DECE CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O 295229516 CRBWCGDAQRPIOR-LBPRGKRZSA-N 300.761 2.285 10 10 DECE COc1ccc(O)c(CN2CCc3c(cccc3C(N)=O)C2)c1 827837870 GNAYMJARPABMKZ-UHFFFAOYSA-N 312.369 2.058 10 10 DECE CCN1C[C@H](CN(CC)c2ccc(OC)c(OC)c2)OC1=O 846823604 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Cc1ccc(C(=O)NCC(=O)N2Cc3cccc(O)c3C2)cc1C 871198403 JDQKKXBXJLRVNF-UHFFFAOYSA-N 324.380 2.281 10 10 DECE Cc1ccc(C(=O)NC[C@H]2CCC23CCOCC3)c(O)c1O 871583221 MMJGZVAKLGNDBT-GFCCVEGCSA-N 305.374 2.343 10 10 DECE CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 897855522 BKGLWPXMWZFQEA-LBPRGKRZSA-N 307.371 2.467 10 10 DECE Cc1ccncc1N1CCN(C(=O)c2cc(O)cs2)CC1 799185309 KRUCEZSXLGWAMV-UHFFFAOYSA-N 303.387 2.120 10 10 DECE COc1ccc(N(C)CCN(C)CC2CCN(C)CC2)cc1 895150635 BXRYTIQJVNLGIG-UHFFFAOYSA-N 305.466 2.405 10 10 DECE COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1O 798099386 VLAIUMJTYQEOIV-CLTKARDFSA-N 301.298 2.464 10 10 DECE O=C(O)CN1CC2(CCCC2)Nc2cc3c(cc21)OCCO3 76930936 ZTERLRBOOXJRAW-UHFFFAOYSA-N 304.346 2.087 10 10 DECE COCc1csc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1166966314 XFYMWCGVENLMAB-UHFFFAOYSA-N 307.371 2.165 10 10 DECE Oc1c(Br)cc(Cl)cc1CNCc1cnn[nH]1 708112900 HPJPOVYFEGINBS-UHFFFAOYSA-N 317.574 2.216 10 10 DECE CN(Cc1ccc(Br)cc1O)C1CC(C(=O)O)C1 693001066 FFIFOHCRIHBCLN-UHFFFAOYSA-N 314.179 2.450 10 10 DECE Cc1ccccc1-n1c(C)cc(C(=O)N(C)S(C)(=O)=O)c1C 1254319852 LPHGNMZUQKYYFX-UHFFFAOYSA-N 320.414 2.434 10 10 DECE CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1c(O)cccc1F 1339835048 IXFVNHDVAGMGMO-UONOGXRCSA-N 309.385 2.203 10 10 DECE C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N2CCCC2)cc1 1337001546 VFBACWKIYJRTIB-HOCLYGCPSA-N 301.434 2.373 10 10 DECE CCc1nc(O)c(C(=O)NCc2ccc(OC)cc2O)cc1C 1448381997 NXBQJMVWVJNTSK-UHFFFAOYSA-N 316.357 2.302 10 10 DECE O=C(CCc1cccc2c1OCO2)NCc1cc(O)ccc1O 1471661009 CYWIRYWZUIBUPA-UHFFFAOYSA-N 315.325 2.076 10 10 DECE O=C(C[C@H]1NC(=O)c2ccccc21)NCc1c(O)cccc1F 1558454199 BBCNWIMPPJHVKA-CQSZACIVSA-N 314.316 2.022 10 10 DECE CCc1cnc(CC(=O)NCc2ccc3cccnc3c2O)[nH]1 1557122344 HFTIYCCWXPITDD-UHFFFAOYSA-N 310.357 2.085 10 10 DECE CC(C)Oc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 1624710836 RVSCQQRPKKPOCQ-UHFFFAOYSA-N 316.357 2.139 10 10 DECE CN(Cc1cccc(O)n1)C(=O)c1ccc(N=NC(N)=O)cc1 1635722087 BHHGGPPSPBIBDY-UHFFFAOYSA-N 313.317 2.222 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccn(C2CCCC2)n1 1566312871 UDQKWOJAJGSGBD-UHFFFAOYSA-N 315.373 2.268 10 10 DECE C[C@H](NC(=O)CNC(=O)c1ccsc1)c1ccccc1O 1642831226 TYUCLIJRABIJCE-JTQLQIEISA-N 304.371 2.061 10 10 DECE C[C@@H](CN)N(Cc1ccccc1)C(=O)c1cccc(O)c1O 1914346643 APXNBIOFNHDDBO-LBPRGKRZSA-N 300.358 2.087 10 10 DECE NC[C@H]1CC[S@@](=O)(=Nc2ccc(C3=S=CC=C3)s2)C1 2140953697 ZOFTYDVJRWKHGS-DGIBIBHMSA-N 312.485 2.452 10 10 DECE CC(C)(C)OC(=O)Nc1ccc([C@](C)(N)CC(=O)O)c(O)c1 1952417302 DKWWTJMXCNBJAS-OAHLLOKOSA-N 310.350 2.388 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@H]2C(=O)NCCCN=[N+]=[N-] 1985102938 NXJJUPJQPAJWFE-RWSFTLGLSA-N 323.397 2.496 10 10 DECE CCNCc1cc(F)c(N2CC[S@](=O)C[C@H]2C)c(F)c1 2171969246 PCCHBXBVRZENFG-SBKAZYGRSA-N 302.390 2.032 10 10 DECE CCN(c1ccc(CNC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 387278527 UZFSSCCZCQHXSQ-GFCCVEGCSA-N 316.854 2.073 10 10 DECE CN(Cc1ccccc1O)c1ncnc(O)c1Br 2072451662 ZIJXDJKENFUSRN-UHFFFAOYSA-N 310.151 2.287 10 10 DECE NCc1ccc(N2CC[C@@H](O)CC23CC3)cc1Br 2050620328 DEDVAGWXVBEBPK-GFCCVEGCSA-N 311.223 2.402 10 10 DECE O=S(=O)(Nc1ccc(O)cc1)c1cccc(C2OCCO2)c1 2089412918 NUYRGKMCVPGAJZ-UHFFFAOYSA-N 321.354 2.238 10 10 DECE CN(c1cc(Br)c(CN)cc1F)[C@H]1C[C@@H](O)C1 2212786820 ATNUSZDAOZRTCG-DTORHVGOSA-N 303.175 2.006 10 10 DECE CO[C@@H](CNCc1cnc(SC)s1)C1CCOCC1 2208649732 FGVLJOAAARZTGW-LBPRGKRZSA-N 302.465 2.396 10 10 DECE Nc1ccc(NC(=O)CC[S@@](=O)CCC(F)(F)F)cc1 2283708303 XTUDUPZMOPMNJK-HXUWFJFHSA-N 308.325 2.299 10 10 DECE CCCN[C@@H]1C[C@@H](OC)[C@H](OC)[C@@H]1Sc1nccs1 2329813002 LASXTRLBAFRTPG-WISYIIOYSA-N 302.465 2.406 10 10 DECE CC[C@H](N/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C)C(=O)O 101350461 UBHYXVBWPGSTLS-FSBNRTBOSA-N 321.764 2.399 10 10 DECE CC(C)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 118589909 OYHSXYAZLORMBA-LBPRGKRZSA-N 312.211 2.493 10 10 DECE CCOC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 32191966 ROQQHUUOPBQQQF-UHFFFAOYSA-N 317.297 2.232 10 10 DECE CCOc1ccc(O)c(CN2CCC[C@H](Cn3cncn3)C2)c1 128569917 LBGKAFPTKPLBFT-AWEZNQCLSA-N 316.405 2.295 10 10 DECE Cc1cc(C(=O)N[C@@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1 78332921 NRWOUAYBKMHMKT-ZDUSSCGKSA-N 313.401 2.301 10 10 DECE Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1-c1ccccn1 80969201 FJVHLDRMWFWUNF-ZBFHGGJFSA-N 313.401 2.380 10 10 DECE CCN(CCCO)c1cc(Br)c(CN)cc1F 383724788 ZCIZIYJOCXQBJS-UHFFFAOYSA-N 305.191 2.256 10 10 DECE CCOC1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC1 92750684 OTTSZGKSBZRIMG-CQSZACIVSA-N 309.797 2.297 10 10 DECE CC(C)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 96971086 IUSPNUDCMMTHCZ-MRXNPFEDSA-N 320.433 2.240 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1Cl 251491086 CPQPOYKMMQFQCU-PGUXBMHVSA-N 307.825 2.465 10 10 DECE COC(=O)/C=C/c1ccc(N2CC3(CCOC3)C2)c([N+](=O)[O-])c1 293917304 DLMZMYVPZBFJOA-HWKANZROSA-N 318.329 2.008 10 10 DECE CC[C@@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 819172000 UCDOPWMIAWABIU-ZIAGYGMSSA-N 318.373 2.114 10 10 DECE CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 828861280 NWWGLWULNATPPK-FRFSOERESA-N 320.433 2.371 10 10 DECE COc1cc(C)cc(CN2CC[C@H](c3noc(C)n3)C2)c1O 905684562 AFRZPQLSPIMCJJ-LBPRGKRZSA-N 303.362 2.390 10 10 DECE Cc1ccc(O)c(CNCCN2C(=O)c3ccccc3C2=O)c1 733325596 LZNHZDJXBWMSFQ-UHFFFAOYSA-N 310.353 2.086 10 10 DECE C[C@@H](CS(C)(=O)=O)N(C)C/C=C\c1ccc(N(C)C)cc1 835027180 CYEJQMVMLZCUKW-AFNCTOJWSA-N 310.463 2.131 10 10 DECE CN(C)c1ccc(CN2C[C@H]3CC[C@H]2[C@H]2CNC[C@H]32)cc1F 903961016 AJWFTKUGJDFGLM-AIANPOQGSA-N 303.425 2.322 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@H]2CCCCS2(=O)=O)cc1 835048800 ZLTAXYIWZMDQSZ-FUTAKVPZSA-N 322.474 2.323 10 10 DECE CCN1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 841960554 SJMVOPYPWPBMTA-YOEHRIQHSA-N 318.465 2.183 10 10 DECE COC[C@@H]1CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 840482804 FWTCFXWUEFCDFK-YOEHRIQHSA-N 319.449 2.422 10 10 DECE COCCN1CC[C@H](N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 840892824 DQOVXZYYDQISSA-WMZOPIPTSA-N 319.493 2.302 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)OC3CCOCC3)C2)cc1 849417530 UHGIMYKWPVITRL-CYBMUJFWSA-N 320.389 2.179 10 10 DECE O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@@H]2CCC[C@H]21 840146153 OYYYGLAVKLOWHB-NVXWUHKLSA-N 321.442 2.032 10 10 DECE C[C@H](OCc1ccncc1)C(=O)NCc1c(O)cccc1F 928704948 BGPVJAVNUQEASE-NSHDSACASA-N 304.321 2.148 10 10 DECE COc1ccc(N2CCN(CCO[C@@H]3CC3(F)F)CC2)cc1 851713673 HBMCMBIODBNLRB-OAHLLOKOSA-N 312.360 2.241 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)/C=C/[C@@H]3CCCO3)C2)cc1 855225778 QEJQGCKZMKKBLN-OMAIJTBJSA-N 316.401 2.125 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)C(O)[C@H](C)C1 853749301 OSOBZDOJJGVCRB-ZIAGYGMSSA-N 319.449 2.219 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3scnc3C)C2)cc1 855232311 PMKWHIXDMVTSIG-GFCCVEGCSA-N 317.414 2.469 10 10 DECE C[C@@H]1C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)cc1 931469067 NXNKGHIJMXSJER-BMGDILEWSA-N 314.429 2.465 10 10 DECE C[C@H](NC(=O)NCCN(C)CC(F)(F)F)c1ccccc1O 868241028 DKMOXLLBELKOOP-JTQLQIEISA-N 319.327 2.247 10 10 DECE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCCN(Cc2ccccc2)C1 390797681 ULYXKSFGTCUVSP-INIZCTEOSA-N 317.393 2.396 10 10 DECE CC(=O)NC(C)(C)C(=O)NCc1c(O)ccc2ccccc12 1179032213 ARKPZWNIJQNWAW-UHFFFAOYSA-N 300.358 2.076 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)c2ccon2)cc1C 1267120991 JLAQYDRMTJWAJC-ZDUSSCGKSA-N 317.389 2.290 10 10 DECE C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3Cc4cccc(O)c4C3)CN2C1 1348929223 RWBKSAZXAYEBKJ-BPLDGKMQSA-N 300.402 2.355 10 10 DECE COC(=O)/C=C\c1ccc(N2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 1348620327 YPIXGTVYLPKSBP-IMMZDGJCSA-N 318.329 2.150 10 10 DECE COc1cc(N(C)CCOCC2CC2)c([N+](=O)[O-])cc1OC 1458238823 LECDGOAVIVRWIQ-UHFFFAOYSA-N 310.350 2.475 10 10 DECE NC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl 1293561206 TWHMITRDYYUNHB-UHFFFAOYSA-N 320.732 2.031 10 10 DECE Oc1cccc(O)c1CNc1ncnc(F)c1Br 1458638073 HGOWCHWEEBXNAY-UHFFFAOYSA-N 314.114 2.402 10 10 DECE Cc1cnc([C@@H](C)CNC(=O)Cc2ccc(O)c(O)c2)s1 1466750842 WDNMKOLVNUSQGZ-VIFPVBQESA-N 306.387 2.325 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ncon2)CCCC1 1558501922 MKLJPGZXBWZBIL-XQRVVYSFSA-N 315.329 2.080 10 10 DECE O=C(NCCc1ncc(-c2ccccc2)[nH]1)c1cccc(O)c1O 1558289519 OQLWQPIXOAHXFA-UHFFFAOYSA-N 323.352 2.460 10 10 DECE Cn1cnc(/C=C/C(=O)N2CCCc3c2ccc2c3ncn2C)c1 1637637461 MCYOHGBKOUCLMZ-VMPITWQZSA-N 321.384 2.299 10 10 DECE O=C(NCc1c(O)cccc1F)c1cc(-c2ccco2)[nH]n1 1646029499 YZCIEPSQSSQDRO-UHFFFAOYSA-N 301.277 2.444 10 10 DECE COc1ccc(CNC[C@H](C)NC(=O)c2ncoc2C)cc1C 1669520827 NGLDDUFNQDVUOT-LBPRGKRZSA-N 317.389 2.208 10 10 DECE Oc1c(Br)cccc1CNC1CC(n2ccnn2)C1 2127686007 SPJUATKVHYWQET-UHFFFAOYSA-N 323.194 2.240 10 10 DECE CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)c2ccccc2O)CC1 1921879240 ACGWESZJDRFGBA-AWEZNQCLSA-N 322.405 2.154 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NCc1ccc2c(c1)CCO2 227551137 QPNVKPHBGJDWEI-ZIAGYGMSSA-N 304.390 2.377 10 10 DECE COc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1CN 1994426248 YZCWLXBEKGJSBV-UHFFFAOYSA-N 311.429 2.475 10 10 DECE NCc1ccc(N2C[C@H]3CO[C@@H](C3)C2)c(F)c1Br 2034847325 RNEZLXSTCYPCLK-WPRPVWTQSA-N 315.186 2.272 10 10 DECE CCC(=O)NCCCNCc1cc(Cl)cc(OC)c1O 2158724836 ZPVSHUDIFMUOOK-UHFFFAOYSA-N 300.786 2.060 10 10 DECE O=C1Nc2cc(N3C[C@@H]4CCC[C@@H]43)c(Br)cc2[C@@H]1O 706730242 ZQCWQJLGTYWHEN-XDYOCTJHSA-N 323.190 2.423 10 10 DECE C[C@@H](CCNCc1ccc(Br)cc1O)[S@@](C)=O 691440282 POEPBEQDZULWSS-HUTHGQBESA-N 320.252 2.401 10 10 DECE Cc1cccc(O)c1Cn1ncc(S(C)(=O)=O)c1Cl 2070246558 DVODCNWHSPMEIF-UHFFFAOYSA-N 300.767 2.002 10 10 DECE Nc1ccc(OCCC(=O)N2CC(SC(F)F)C2)cc1 2196710924 CJHGNNXPQAAABG-UHFFFAOYSA-N 302.346 2.204 10 10 DECE CO[C@@H]1C[C@H]1CNCc1cc(Br)cc(F)c1O 1908941208 YPJOKAOPKAUYLG-WRWORJQWSA-N 304.159 2.418 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@@]3(O)C2)c(Br)c1 2051366653 NMNBDLLRYZVLPG-OLUVUFQESA-N 311.223 2.430 10 10 DECE CCn1nnc(Br)c1OCCc1ccc(N)cc1 2056259820 SQXLBHMCHQLTSQ-UHFFFAOYSA-N 311.183 2.264 10 10 DECE Cc1ccc(CNCc2cnn(C)c2Br)c(O)c1 2084074023 RCGICOLFGFMVRS-UHFFFAOYSA-N 310.195 2.486 10 10 DECE OCc1ccc(N2CC[C@@H](O)[C@@H]3CC[C@@H]32)cc1Br 2310806954 DAOIAXMKZNQATB-KWCYVHTRSA-N 312.207 2.291 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311889275 SXTNUGSRFKNUEG-UGIUPUBSSA-N 311.223 2.286 10 10 DECE CSC[C@@H](C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 69427124 RRBWMZHXOCYWOX-NSHDSACASA-N 304.419 2.183 10 10 DECE C[C@H](CNCc1cc(OC(F)(F)F)ccc1O)[S@@](C)=O 2361044292 WTWLENPZDCEYIJ-ZPWHCFADSA-N 311.325 2.147 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2358570740 VLKFGKRVYJEGEL-XSPKLOCKSA-N 312.317 2.336 10 10 DECE Nc1ccc(O)c(CNC(=O)c2ccc(Br)cn2)c1 61860151 LBGMHIMIUFYARN-UHFFFAOYSA-N 322.162 2.062 10 10 DECE Nc1ccc(N2C(=O)[C@H]3CCC[C@H]3C2=O)cc1Br 128384622 NIZHJDMLXWVBNM-DTORHVGOSA-N 309.163 2.321 10 10 DECE CC[C@@H](N[C@H]1CNC(=O)C1)c1cc(Br)ccc1O 228941473 UPWJTFPOXMTNRD-MWLCHTKSSA-N 313.195 2.084 10 10 DECE CC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)OCCCO1 192252481 WLAZPSJPWNKQSY-UHFFFAOYSA-N 316.741 2.197 10 10 DECE COc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1OC 41379565 YRGWMLSZUZWOSD-UHFFFAOYSA-N 306.406 2.399 10 10 DECE CN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 139629808 CSKOKSUURUBGFJ-KRWDZBQOSA-N 316.449 2.180 10 10 DECE CCCNCc1ccc(N(C)CCO)cc1Br 233104149 KIMFZEJPFZWUHY-UHFFFAOYSA-N 301.228 2.377 10 10 DECE 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C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CCN1 827913830 PIVUBMDUEVXLTP-BBRMVZONSA-N 301.434 2.073 10 10 DECE CC(C)(C)N1CC[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O 820451448 UNRJXOVYGKESGB-VSKVDJIOSA-N 319.357 2.054 10 10 DECE O=S1(=O)C[C@H](CNCc2ccccc2O)c2ccccc21 824514627 AEWFYRPWADLKHL-ZDUSSCGKSA-N 303.383 2.053 10 10 DECE CCOCCC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588408607 MPEZVGRXJKRVNK-XQRVVYSFSA-N 305.374 2.434 10 10 DECE COc1cc(CN2CCO[C@@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1 826123406 MLSYKCJSMRRPLP-BLLLJJGKSA-N 323.433 2.280 10 10 DECE CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1C 825873857 POMKJJRFDIXSLP-YOEHRIQHSA-N 320.433 2.119 10 10 DECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC12CC2 822727128 AIZDAVYVJCOCEH-HNNXBMFYSA-N 319.380 2.014 10 10 DECE CN(C)c1ccc(/C=C\CN2CC[C@H](N3CCOC3=O)C2)cc1 826999915 DLYGWDIPUNVVMN-LIMHQNJXSA-N 315.417 2.292 10 10 DECE C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 840976941 IDKAUHVCISPDFH-PELKAZGASA-N 306.189 2.281 10 10 DECE Nc1ccc(CCNC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 841959060 KDMHQJSGEIJWTJ-KRWDZBQOSA-N 303.406 2.023 10 10 DECE N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(F)ccc2O)C1 844911236 MLVGAEVJZQFVPK-HLLBOEOZSA-N 308.397 2.392 10 10 DECE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccnnc1 924710339 KFYRXRMUWPQJDA-ZDUSSCGKSA-N 316.380 2.303 10 10 DECE CCN(CC)c1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 922728155 LOCRDISUXPOODC-NXHRZFHOSA-N 304.434 2.426 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1c(Cl)n[nH]c1C1CC1 866754628 BIQLLQWXHMNGMZ-UHFFFAOYSA-N 321.764 2.324 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN1C1CC1 862026219 IVMFBXCEGGKMNB-OAHLLOKOSA-N 311.385 2.183 10 10 DECE COC(=O)/C(C)=C\CN[C@@H](C)c1ccc(N2CCOCC2)cc1 775255934 SBDZTOXRYCKAKQ-OWTLUSIOSA-N 318.417 2.293 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1895874902 CZBKEJSKAFDODD-GRYCIOLGSA-N 323.397 2.401 10 10 DECE CCOc1ccc(CN(CCOC)Cc2ccnn2C)c(O)c1 787333049 UYCVAWSQSLEWKH-UHFFFAOYSA-N 319.405 2.173 10 10 DECE Cc1cccc([C@@H](O)CNC(=O)c2c(F)ccc(O)c2O)c1 1160980810 PHHSUBJGKOKROK-ZDUSSCGKSA-N 305.305 2.009 10 10 DECE CCOc1ccc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)cc1 1319870907 QJSMCQAGCYHNMW-SFHVURJKSA-N 318.417 2.303 10 10 DECE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1ncc(SC)s1 712936984 RREVAEAHSXMEME-QMMMGPOBSA-N 301.397 2.369 10 10 DECE COC(=O)C1(NCCN=[N+]=[N-])CC(OCc2ccccc2)C1 716244853 AEPLMLCWDXKUCH-UHFFFAOYSA-N 304.350 2.177 10 10 DECE CC(C)(C)OC(=O)CCCC(=O)NCc1cccc(O)c1O 1349079508 NERYQNLZFKMRKK-UHFFFAOYSA-N 309.362 2.226 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)CCN2CC[C@@H](F)C2)c1 1294936628 IDFHLSOVIWAWGX-NWDGAFQWSA-N 310.369 2.012 10 10 DECE O=C(Cc1ccc(-n2ccnc2)cc1)NCc1ccccc1O 1294924660 FUAUKDUXJNESAI-UHFFFAOYSA-N 307.353 2.437 10 10 DECE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2ncnn12 1631438463 GDTNVZXKOBFJNI-UHFFFAOYSA-N 322.368 2.244 10 10 DECE Cc1ccc(C)c(OCC(=O)NCc2ccc(O)cc2O)c1 1643100842 MJVNLEWSSVHQEF-UHFFFAOYSA-N 301.342 2.410 10 10 DECE COc1ccc(CNC[C@@H](C)CNC(=O)C(F)F)cc1C 1732330403 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10 10 DECE C[C@H]1CN(c2ccc(CO)cc2Br)[C@@H](C)CN1C 2222178923 GTENUOJXVLJVDA-QWRGUYRKSA-N 313.239 2.470 10 10 DECE COc1cc(N2CCCC[C@H]2C2(C)OCCO2)ccc1CN 2226054071 MAYGSEASZPMQBN-INIZCTEOSA-N 306.406 2.276 10 10 DECE CSc1ncc(CNC(=O)C[C@@H]2C[C@@H](N)C23CCC3)s1 2284680062 HQXYPJAVXQVUHI-GXSJLCMTSA-N 311.476 2.389 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O 2310041529 VGOROTJCMQMVPI-UKJIMTQDSA-N 312.207 2.404 10 10 DECE CC(C)n1[nH]c(Br)nc1=NCc1ccccc1O 2328400310 SGWDNHAQKIRHJY-UHFFFAOYSA-N 311.183 2.361 10 10 DECE Cc1nc(N)cc(=NCc2ccc(C)c(Br)c2O)[nH]1 2352940659 GTUGCWFKMRJFRR-UHFFFAOYSA-N 323.194 2.178 10 10 DECE COc1ccc(N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 52466322 PIHXANPKOUJHSS-UHFFFAOYSA-N 319.449 2.122 10 10 DECE NCc1cc(F)c(N2CCC[C@H](O)C2)cc1Br 379968017 GFUMGLLYJXVPPN-VIFPVBQESA-N 303.175 2.008 10 10 DECE CCO[C@H](C)C(=O)NCc1cc(Br)ccc1O 804733543 SJUKOXKBHHMNKU-MRVPVSSYSA-N 302.168 2.196 10 10 DECE C[C@H](N[C@@H]1CON(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 722501637 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395819339 OPELBLMMQZACOM-UHFFFAOYSA-N 306.163 2.356 10 10 DECE Cn1ncc2c1CC[C@@H](F)[C@H]2NCc1ccc2c(c1)CCO2 2062836533 LYOURYQXAHOGMI-PBHICJAKSA-N 301.365 2.470 10 10 DECE CN(C)C(=O)c1ccnn1Cc1cc(C(F)(F)F)ccc1O 2069894592 AXYAFMHYOICONB-UHFFFAOYSA-N 313.279 2.358 10 10 DECE CN(C)c1ccc(C=CC(=O)NC(=O)c2ccccc2O)cc1 1857621418 OUOXWGOIQRXHGN-UHFFFAOYSA-N 310.353 2.428 10 10 DECE NCc1ccc(N2CC3(CC(CO)C3)C2)c(Br)c1 2066494714 YTHNVQMOCFDELR-UHFFFAOYSA-N 311.223 2.117 10 10 DECE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H]2C(F)(F)F)cc1 2232610716 OSVWZIITNBCMHE-GHMZBOCLSA-N 308.325 2.029 10 10 DECE CSc1ncc(CN[C@H]2C[C@@H]3C[C@H]2CC32OCCO2)s1 2298467800 KEANWEZPUZAIEV-NHCYSSNCSA-N 312.460 2.496 10 10 DECE O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=CN=C1 2301070238 XYSCLYOBTOKKBK-UHFFFAOYSA-N 307.718 2.333 10 10 DECE CCN1CC[C@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C)C1 2308001614 YHGXERIKQNXSQZ-ZFWWWQNUSA-N 318.417 2.300 10 10 DECE Cc1cc(CN)ccc1N1CC(n2ccc(Br)n2)C1 2336297440 YOINQIJVDWVFNK-UHFFFAOYSA-N 321.222 2.474 10 10 DECE COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 113343320 CRDWBHHQMCTTMB-CYBMUJFWSA-N 322.405 2.500 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N(C)CCCOC)c(Cl)cc21 118706323 FDBYLMWEOXHOLY-CQSZACIVSA-N 311.813 2.415 10 10 DECE CN1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3O)CC[C@@H]21 178114992 YJKAULRQSHQECK-WFASDCNBSA-N 305.378 2.217 10 10 DECE C[C@H](NC[C@H]1CN(C)CCO1)c1cc2c(cc1O)CCCC2 185974104 DASHRNVXVXUQSK-BBRMVZONSA-N 304.434 2.252 10 10 DECE Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(O)c1O 181809345 PMVARTAPTCLXJF-HNNXBMFYSA-N 314.385 2.439 10 10 DECE CCCN(Cc1c(O)cccc1Cl)[C@H]1COC[C@@H]1C(=O)O 128837382 LNOGDSQXDKJBKQ-AAEUAGOBSA-N 313.781 2.357 10 10 DECE COc1ccc(N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1 195011863 IJUBRQSUJDRSOR-UHFFFAOYSA-N 314.433 2.368 10 10 DECE COc1ccc(O)c(CNC2CCN(C(=O)C(C)C)CC2)c1 237203947 UXDSGLGCMLYCFY-UHFFFAOYSA-N 306.406 2.137 10 10 DECE CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 813072976 QOYMOKSEFWRCIH-MRXNPFEDSA-N 305.422 2.381 10 10 DECE COC(=O)/C=C\c1ccc(N(C)Cc2ncc[nH]2)c([N+](=O)[O-])c1 735832768 OVKVWQBZRHXNGK-XQRVVYSFSA-N 316.317 2.141 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1895874533 AHZHEKGOFYXPNY-GRYCIOLGSA-N 323.397 2.258 10 10 DECE O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)Nc2cc(F)ccc21 917501491 HSTLVWQLCZNFDG-ZDUSSCGKSA-N 303.249 2.294 10 10 DECE Cc1cc(O)c(CNCc2ccnc(N(C)C)n2)c(Cl)c1 840936965 OZUGZGLBXMNSJA-UHFFFAOYSA-N 306.797 2.500 10 10 DECE C[C@@H]1CCC[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)O1 849363056 COKZSOHBCRZBDB-OCCSQVGLSA-N 318.373 2.114 10 10 DECE CC(C)(C)OC(=O)CC1(NC(=O)c2cccc(O)c2O)CCC1 846434217 WVRFUCGHSAJTMT-UHFFFAOYSA-N 321.373 2.482 10 10 DECE CC[C@H](CO)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840916221 IFNDWFXKXCUSSI-CYBMUJFWSA-N 312.841 2.243 10 10 DECE O=C(O)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 756339371 MLYJTOZQEHTJIZ-AWEZNQCLSA-N 320.276 2.355 10 10 DECE CCOC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 855225665 LDBHVRLFWNMSDN-CQSZACIVSA-N 318.417 2.349 10 10 DECE COc1cc2c(cc1C(=O)N(C)Cc1ccccc1O)OCO2 759930119 DYISBCLUWCKWPG-UHFFFAOYSA-N 315.325 2.402 10 10 DECE COC[C@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233119 FCQXYLKQFNPZMM-ZIAGYGMSSA-N 306.406 2.063 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCN=[N+]=[N-])CCO1 1962297780 ATIXHDIEBDXXCI-GFCCVEGCSA-N 313.402 2.302 10 10 DECE COC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1323407796 YBBVYVTZOBIOPB-CQSZACIVSA-N 320.433 2.025 10 10 DECE COC(=O)CC1(NCc2ccc(Br)cc2O)CC1 1328761077 BIYIAVPSIDBQFE-UHFFFAOYSA-N 314.179 2.340 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1C(=O)NCCN=[N+]=[N-] 1965101443 CXCSROZUXOTWJQ-VXGBXAGGSA-N 323.397 2.449 10 10 DECE COc1ccc(CN[C@H]2CCN(C(=O)COC(C)C)C2)cc1C 1265420965 MNKQGQCPQULHAY-INIZCTEOSA-N 320.433 2.119 10 10 DECE COC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1558757000 KWTYFTFAKMSWNZ-UHFFFAOYSA-N 320.732 2.157 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cnnc(-c2ccccc2)c1 1630302314 XIKLNLIGKLSASN-UHFFFAOYSA-N 321.336 2.485 10 10 DECE COc1cc(F)c(C(=O)NCc2cc(O)ccc2O)c(F)c1 1644757227 ZHHWZXAILNHUIA-UHFFFAOYSA-N 309.268 2.315 10 10 DECE COc1ccc(CC(=O)NCc2cccc(Cl)c2O)nc1 1647830490 YXGPASQWRFQFHG-UHFFFAOYSA-N 306.749 2.308 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)C(C)(F)F)cc1C 1669229040 GEOPIGFDJGXTOH-LLVKDONJSA-N 300.349 2.253 10 10 DECE Oc1c(Br)cccc1CN[C@H]1C[C@@H](n2cncn2)C1 2127683515 KJJAOBKKGZHMHP-PHIMTYICSA-N 323.194 2.240 10 10 DECE C[C@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N(C)C)cc1 151272053 IAQCFJWQBXXEGQ-MAUKXSAKSA-N 305.466 2.250 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3CC4(CC4)C3)c(Br)cc21 1914926398 QALWYWFMGRADLG-NSHDSACASA-N 308.179 2.001 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1 1977695406 VMPJLKJUQBUHCU-BETUJISGSA-N 320.393 2.446 10 10 DECE CC(C)(C)OC(=O)NCCO[C@H]1CCN(c2ccc(N)cc2)C1 1980427870 YIYOTSLCUWAJFT-HNNXBMFYSA-N 321.421 2.389 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985093634 CGFULUYSJBWZGM-WYUUTHIRSA-N 321.381 2.153 10 10 DECE C[C@@]1(NCc2cc(Cl)cc(Cl)c2O)CCS(=O)(=O)C1 36945118 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2235871277 OOTLQUYURZZYNV-UHFFFAOYSA-N 300.286 2.053 10 10 DECE O=C(/C=C\c1cnccn1)N(CC(F)(F)F)c1ccccn1 491401989 QQJGZZMPGLHKPQ-PLNGDYQASA-N 308.263 2.480 10 10 DECE Cc1ccc(CNc2c(N)cnn2C)c(O)c1Br 2327586256 LNROEOKHDAOVSN-UHFFFAOYSA-N 311.183 2.391 10 10 DECE Cc1ccc(CN2C[C@H](O)C[C@@H](F)C2)c(O)c1Br 2327800202 HQFBQJLEGHBDPZ-GHMZBOCLSA-N 318.186 2.368 10 10 DECE CS(=O)(=O)c1cccc(OCCOc2ccc(N)cc2)c1 37369528 MFKXPIWITXHGBP-UHFFFAOYSA-N 307.371 2.130 10 10 DECE O=C(CN1CC[C@@H](SC(F)F)C1)c1ccc(O)c(O)c1 2365706371 BNAJIAZSRWMITA-SECBINFHSA-N 303.330 2.311 10 10 DECE C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 248966178 BRIUSTXNFHHJRY-SQWLQELKSA-N 322.424 2.474 10 10 DECE CC[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(=O)OC 277188943 CZNKWVXAOLRCLK-CYBMUJFWSA-N 324.396 2.487 10 10 DECE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccc(C)cc1 808501546 RGVPKIAQUGMWDB-UHFFFAOYSA-N 314.341 2.058 10 10 DECE O=C(NCc1cc(Br)ccc1O)[C@H]1CCC=CO1 804735300 TYYBYTMYXPIKEY-GFCCVEGCSA-N 312.163 2.464 10 10 DECE 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311.223 2.340 10 10 DECE C[C@H](c1cc(F)ccc1O)N(C)C1CCS(=O)(=O)CC1 694194668 UMGIOJVTQLQQHS-SNVBAGLBSA-N 301.383 2.101 10 10 DECE COc1cc(CNCc2cccnc2)ccc1N1CCOCC1 212685824 MITRPBSZTLFKQZ-UHFFFAOYSA-N 313.401 2.217 10 10 DECE O=C(N[C@@H](CCO)c1ccccc1F)c1cccc(O)c1O 1557175591 OPNPXKUSVFZFKV-ZDUSSCGKSA-N 305.305 2.090 10 10 DECE C[C@@]1(CNC(=O)c2cccc(O)c2O)COc2ccccc2O1 1557650109 FHLIDIFSMXULMY-QGZVFWFLSA-N 315.325 2.058 10 10 DECE O=C(NCc1c(O)cccc1F)[C@@H]1OCCc2ccccc21 1638864058 SJFIDSVXGOLVJA-MRXNPFEDSA-N 301.317 2.462 10 10 DECE C[C@@H](Cc1cccc(O)c1)NC(=O)Cc1ccc(O)c(O)c1 1640624987 YEWYPNQWQKOEJQ-NSHDSACASA-N 301.342 2.093 10 10 DECE O=C1/C(=C\c2cccs2)SC(=S)N1N1CCOCC1 2241487 FJVNTOBZEDSFDT-CSKARUKUSA-N 312.441 2.197 10 10 DECE CC(C)(C)OC(=O)[C@@H](N)c1cc(Br)ccc1O 1951380669 AKTAWLVTTUDUDR-JTQLQIEISA-N 302.168 2.496 10 10 DECE Cc1cccc(CNC(=O)[C@H](C)ONC(=O)OC(C)(C)C)c1O 1994450095 OTQDLGZZXAXYBL-NSHDSACASA-N 324.377 2.162 10 10 DECE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)NC1CCC1 2152915891 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CCN(C)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 830292124 DGCHXGNZEFLJLS-ROUUACIJSA-N 303.450 2.048 10 10 DECE C[C@@H](CC(=O)O)CC(=O)NCc1ccc2cccnc2c1O 911700538 MWJNKZNPHVWKSO-SNVBAGLBSA-N 302.330 2.058 10 10 DECE CN(C)c1ccc(/C=C/CNCCN2C[C@@H]3CC[C@H](C2)O3)cc1 842212012 ITPJMKOZGVKOHW-HDAKTPJGSA-N 315.461 2.219 10 10 DECE Cc1cc(C(=O)NC23CCN(CC2)C3)c(C)n1-c1ccccn1 913627492 MUBKPMDYEXCKCH-UHFFFAOYSA-N 310.401 2.067 10 10 DECE CN1CCCc2cc(CNC(=O)N3C[C@H]4[C@H](C3)C4(F)F)ccc21 844932958 ARUWXJFBRUUDHA-KBPBESRZSA-N 321.371 2.476 10 10 DECE CC1(C)[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1(F)F 853087220 ZZWLAKIHLCKZDP-LBPRGKRZSA-N 324.327 2.448 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)c3coc(C)n3)C2)cc1 855228014 TXFZZBLGFRVVQB-LBPRGKRZSA-N 301.346 2.000 10 10 DECE COCc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)ncn1 853759089 OUXYYUASKKBJDF-ZDUSSCGKSA-N 314.389 2.322 10 10 DECE COC[C@H](C)[C@H](C)C(=O)NCc1ccc2cccnc2c1O 862026393 MYSYVVXWUKHIJC-RYUDHWBXSA-N 302.374 2.475 10 10 DECE CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(O)cc1 765973419 HLQSTJRABYYIQK-QGZVFWFLSA-N 314.385 2.462 10 10 DECE Cc1cc(C(=O)NCC[C@@H](O)C(F)F)c(C)n1-c1ccccn1 870416072 MEKSSRTTZGAKSE-CYBMUJFWSA-N 323.343 2.235 10 10 DECE CCOc1cccc(CN[C@@H](COC)[C@H]2CCCOC2)c1O 886360466 WPIXKEJLWMNUGH-GJZGRUSLSA-N 309.406 2.322 10 10 DECE CCN(CC)c1ccc(CN[C@@H](C)c2nnc(O)n2C)cc1 895183732 KIZZCQFUIMKXFE-LBPRGKRZSA-N 303.410 2.218 10 10 DECE O=C(CCC(=O)c1cccs1)NCc1cccc(O)c1O 1303193491 NDCPIUBOIRCJNG-UHFFFAOYSA-N 305.355 2.439 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCCCN=[N+]=[N-] 1963732891 SOXHKAYTRGDSOX-GDNZZTSVSA-N 323.397 2.306 10 10 DECE NC1[C@H]2C[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 715791123 FVYSQXWKVBMODF-YUMQZZPRSA-N 315.186 2.073 10 10 DECE CCCN(Cc1cnc(C(=O)OC)cn1)Cc1ccccc1O 1334971209 FACKQQJAZPCBGV-UHFFFAOYSA-N 315.373 2.381 10 10 DECE CNCc1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1 1916389860 SGPDKLFUNTUKMO-IBGZPJMESA-N 314.429 2.420 10 10 DECE CN1C(=O)CN(C(=O)c2cc(O)cs2)Cc2ccccc21 1453574012 CJWVWPCPTNOTDA-UHFFFAOYSA-N 302.355 2.073 10 10 DECE C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1566669649 KEFPBCOFYNTXMH-MFKMUULPSA-N 304.350 2.225 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cncc2nc[nH]c12 1634943809 FORRRHNRMZSUQD-UHFFFAOYSA-N 317.345 2.079 10 10 DECE CCOC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4461437 XNIVQTJSCIBRDC-YRNVUSSQSA-N 323.395 2.157 10 10 DECE COc1cc(NN=NCCc2cnc[nH]2)cc(OC)c1OC 1860494232 WPYWSOXBHNKYBX-UHFFFAOYSA-N 305.338 2.457 10 10 DECE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)c2cncc(Cl)c2)C1 2131289448 HCEIMGBFQPMXFK-QMMMGPOBSA-N 301.759 2.056 10 10 DECE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(N)cc1 1901472093 RAYOOULFQZQHMP-GFCCVEGCSA-N 321.421 2.183 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1ccc(O)c(O)c1O 1952234822 AEZRDKYPQODWLJ-ONGXEEELSA-N 324.377 2.203 10 10 DECE C[C@H](C=C[C@@H](N)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952926604 HQHOZUMVUCGOAI-DGCLKSJQSA-N 322.405 2.437 10 10 DECE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)o1 2152804280 ODXJTAUFIGQLBM-UHFFFAOYSA-N 317.706 2.138 10 10 DECE C[C@@H](CNCc1ccc(Br)cc1O)c1ncon1 2027383224 HTWWVKDXERBJGS-QMMMGPOBSA-N 312.167 2.431 10 10 DECE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ncncc2Br)C1 403674853 OSERCEVUUYBMRX-SSDOTTSWSA-N 311.143 2.154 10 10 DECE COC(OC)[C@H](C)NCc1c(O)cccc1Br 706804233 DZKKRXUHMAFLIY-QMMMGPOBSA-N 304.184 2.252 10 10 DECE C[C@@H]1CC(S(=O)(=O)NCc2ccc(O)cc2O)C[C@@H](C)C1 2062807905 HVWOWWINEDJBSY-QWRGUYRKSA-N 313.419 2.342 10 10 DECE CNC1CN(Cc2cc(Cl)cc(Br)c2O)C1 1204706981 QTUHPQVBBFKPET-UHFFFAOYSA-N 305.603 2.212 10 10 DECE C[C@H](O)c1cc(F)c(N2CCSC[C@H]2CCO)c(F)c1 2194514860 FMBQAJZRZUMALF-GXSJLCMTSA-N 303.374 2.322 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2)CC[C@@H]1CO 2046691210 UOOKHIUNDSEUQF-CMPLNLGQSA-N 313.239 2.363 10 10 DECE CSc1ncc(CN[C@H]2C[C@H]3C[C@H]2CC32OCCO2)s1 2248700154 KEANWEZPUZAIEV-UMNHJUIQSA-N 312.460 2.496 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCCN[C@@H]2CCC3)s1 2284640986 OZKHXSLHAOJADA-RISCZKNCSA-N 311.476 2.404 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccnc1-n1cccn1 2307986316 MVIISIXHOZCIEN-UHFFFAOYSA-N 322.324 2.330 10 10 DECE Cc1ccc(CNC[C@H]2C[C@H]2CO)c(O)c1Br 2307568391 CWKQFHZUQKULKT-MNOVXSKESA-N 300.196 2.181 10 10 DECE Cc1ccc(CN2C(=O)[C@@H]3C[C@]3(C)C2=O)c(O)c1Br 2352664916 HTCAFAGFXPCLEO-XPTSAGLGSA-N 324.174 2.358 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN2CCO[C@@H](c3nccs3)C2)c1 170914607 VRHIMAMGWJMOKQ-CYBMUJFWSA-N 321.358 2.330 10 10 DECE C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 180655548 WRWHWYVXNWEGBY-WFASDCNBSA-N 310.825 2.198 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)Nc2cn(C)nc2C)c1 189712018 UEVPFWCNRGJBPX-VIFPVBQESA-N 304.350 2.325 10 10 DECE Cc1nc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)n[nH]1 193014160 UYZRFRGXSWPKDL-AWEZNQCLSA-N 324.340 2.044 10 10 DECE O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1CCO 80343653 CQNVIDYCAVAYOG-MDWZMJQESA-N 319.407 2.199 10 10 DECE Oc1ccc(Br)cc1CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249554114 LODAUDMOXQNERD-LGIWVTCOSA-N 324.218 2.356 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)Cc2cc(C)[nH]n2)c1 273533152 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2.358 10 10 DECE O=C(NCc1c(O)cccc1F)N[C@@H]1CCOC2(CCC2)C1 921537897 ZQQPCLCWIKJWCH-LLVKDONJSA-N 308.353 2.432 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)sn3)C2)cc1 855227397 YIIBDXUYFYFWPT-GFCCVEGCSA-N 317.414 2.469 10 10 DECE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)cc1 931505549 OLBQMNQAVBDSJY-PIKADFDJSA-N 316.445 2.257 10 10 DECE COc1ccc(O)c(CNS(=O)(=O)C2CCC(C)CC2)c1 866848537 IKEQYGUYQVTEFI-UHFFFAOYSA-N 313.419 2.399 10 10 DECE C[C@@](O)(C(=O)NCc1ccc2cccnc2c1O)C1CCC1 862026181 IABPYGFCSQERDS-KRWDZBQOSA-N 300.358 2.108 10 10 DECE C[C@@H](N[C@@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1 863540208 CITGBLJWXLXWKX-CRAIPNDOSA-N 315.461 2.458 10 10 DECE CCN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 773887055 ABQWYHILLBVEJD-BHYGNILZSA-N 301.434 2.229 10 10 DECE Cc1cc(O)ccc1NS(=O)(=O)c1cnn(CC2CC2)c1 777629162 FFEJOBWTPXUTMG-UHFFFAOYSA-N 307.375 2.108 10 10 DECE COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C)o2)c1 773308721 LZBKYEPUMPWDGF-JTQLQIEISA-N 311.359 2.342 10 10 DECE Cn1cnc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)c1 1125436239 FZVFQSLEXOUVDW-WAYWQWQTSA-N 310.279 2.424 10 10 DECE CC(C)/C=C\C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 785058422 HTQNLBDOKCTJGZ-WDZFZDKYSA-N 318.417 2.466 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]2C)cc1 1353045622 DYXIBYLFIZHUOO-AWEZNQCLSA-N 317.433 2.112 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(N)c1 1959561130 SSICCAYGZXMGOY-NSHDSACASA-N 307.394 2.381 10 10 DECE Cc1ccc(C(=O)NCCc2c(F)cc(O)cc2F)c(O)c1O 1156714213 FAOYHIGHRXOFFL-UHFFFAOYSA-N 323.295 2.363 10 10 DECE CNC(=O)NCCCNCc1cc(Cl)cc(Cl)c1O 1964069928 DHLSTNZGOIUFCD-UHFFFAOYSA-N 306.193 2.108 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCC1CS(=O)(=O)C1 1320750277 IWIVITORSLURQA-WCQYABFASA-N 309.431 2.273 10 10 DECE CN(Cc1c(O)cccc1Cl)C[C@H]1CCCCS1(=O)=O 694410970 ZEMNIIVOFDAJGB-LLVKDONJSA-N 317.838 2.445 10 10 DECE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])CCC[C@@H]2C[C@H]21 1965102992 WMNPKYMYFCFUBS-UEKVPHQBSA-N 323.397 2.496 10 10 DECE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1C1CCCC1 1349384593 SQCMIQHMCUSHDK-GFCCVEGCSA-N 304.390 2.187 10 10 DECE Cc1ncccc1/C=C/C(=O)N(CCC(N)=O)c1ccccc1 1351090663 ITXNEFLMZXLUKV-MDZDMXLPSA-N 309.369 2.312 10 10 DECE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C(F)F)cc1C 1282085963 YEJGSDURSNTECB-GHMZBOCLSA-N 300.349 2.252 10 10 DECE C[C@H](O)C[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1623794672 JDJNNRCMJPSVKA-JSGCOSHPSA-N 307.390 2.182 10 10 DECE CCCn1cc(C(=O)NCc2c(O)ccc3ccccc23)nn1 1635965366 XLCZWOGTUYQOHY-UHFFFAOYSA-N 310.357 2.477 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1OCCc2ccccc21 1633374480 WSLRWGDDSZLPTJ-KRWDZBQOSA-N 313.353 2.071 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cncc(C(F)(F)F)c1 1644754479 YNDATERVUYRAHE-UHFFFAOYSA-N 312.247 2.442 10 10 DECE COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cnc1OC 1641623448 JWTGWGOKOCZFPY-GQCTYLIASA-N 316.313 2.162 10 10 DECE Cc1ccnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1570470618 QPPODCDJUCQUMQ-SNVBAGLBSA-N 312.333 2.438 10 10 DECE COC(=O)/C=C/c1ccc(N(CCO)C2CCC2)c([N+](=O)[O-])c1 1772925126 DUEGHQRTRJENJK-SOFGYWHQSA-N 320.345 2.132 10 10 DECE CC(=O)N1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)CC1 164347968 GYAHKOZWJOLAJA-HWKANZROSA-N 308.765 2.106 10 10 DECE [N-]=[N+]=NCCCCNS(=O)(=O)c1c(F)cc(F)cc1F 231733355 ZYBHHVMXYKJCCX-UHFFFAOYSA-N 308.285 2.473 10 10 DECE COc1cccc(O)c1CNCC1CN(C(=O)OC(C)(C)C)C1 1976858195 MPQJZRPLAKNKGB-UHFFFAOYSA-N 322.405 2.357 10 10 DECE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1CCCSC1 2146124378 MSFCJBZNRZRBQW-YPMHNXCESA-N 314.476 2.220 10 10 DECE CN(C[C@@H]1CC1(F)F)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2153632116 DTXFEBDUBQJDFO-KGFZYKRKSA-N 301.724 2.383 10 10 DECE NCc1ccc(N2C[C@H]3CC[C@@]2(CO)C3)c(Br)c1 2029251498 JRFFYHFCFZICOZ-FZMZJTMJSA-N 311.223 2.259 10 10 DECE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 2031927045 DHCZFOULKLPLFA-BZHVJNSISA-N 317.202 2.249 10 10 DECE C[C@H](N)c1ccc(N(C)[C@H](C)CC(N)=O)cc1Br 2033933015 JFEHKKFCZKYOHO-BDAKNGLRSA-N 314.227 2.169 10 10 DECE C[C@](O)(CNCc1c(O)cccc1Br)C(F)F 706881065 KRIGQVUGESUKNA-NSHDSACASA-N 310.138 2.260 10 10 DECE CNCc1ccc(N2CCC3(CN(C)C3)C2)cc1Br 398943635 XGISKXAEKOUWKH-UHFFFAOYSA-N 324.266 2.310 10 10 DECE Nc1ccc(CCNS(=O)(=O)[C@@H]2CCCC[C@@H]2F)cc1 2175571782 XALSGORBEXIZSC-UONOGXRCSA-N 300.399 2.011 10 10 DECE CCc1cc(CN)n(Cc2cc(Br)ccc2O)n1 2070044932 BHNTYTHIMFRSQM-UHFFFAOYSA-N 310.195 2.421 10 10 DECE Cc1cccc([C@H](C)n2ncc(C(=O)NC3CC3)c2O)c1O 2070497836 BLRGAAUAGUZBFU-JTQLQIEISA-N 301.346 2.104 10 10 DECE N[C@@]12CC[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 1235988955 JAFSXKAHWSNPDI-TVQRCGJNSA-N 315.186 2.217 10 10 DECE NCc1ccc(N2CCC[C@H]2C2(O)CC2)c(Br)c1 2066925263 KGXXUMCSNGBOHL-ZDUSSCGKSA-N 311.223 2.402 10 10 DECE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]3CO)c(Br)c1 2082887466 JDXSJFYUNHQPAY-GJTWSCIVSA-N 312.207 2.319 10 10 DECE CS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(Cl)c1O 2094881881 BYNUZKFWGIGKBG-NSHDSACASA-N 303.811 2.055 10 10 DECE NC(=O)[C@@](CSc1nccs1)(NC1CC1)C1CCCC1 2208166801 FTNJTWBKGFUVLJ-AWEZNQCLSA-N 311.476 2.402 10 10 DECE CO[C@H](CNCc1cnc(SC)s1)[C@H]1CCCOC1 2208649300 AAUJPFCYLFOOJV-CMPLNLGQSA-N 302.465 2.396 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@@H](O)C2)c(Br)c1 2219151472 XDQCFCPSMSZKPZ-DVVUODLYSA-N 318.186 2.412 10 10 DECE COCCOc1ccnc(NCc2cnc(SC)s2)n1 2284629533 IKESDSPYRSLVEO-UHFFFAOYSA-N 312.420 2.292 10 10 DECE C/C(NCCO)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 101842547 UIZMGJOIYDJEFK-SAPNQHFASA-N 321.380 2.293 10 10 DECE Cc1ccc(C(=O)N2CCN(CCC(C)C)CC2)c(O)c1O 182161521 DUDPOMFHDSRFHV-UHFFFAOYSA-N 306.406 2.210 10 10 DECE COc1ccc(N(C)[C@@H](CN)CCNC(=O)OC(C)(C)C)cc1 226194965 VPDNKJSFKGKXDS-CQSZACIVSA-N 323.437 2.374 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)cc1 190460910 RAXYNZAYOWTWGU-OAGGEKHMSA-N 303.406 2.119 10 10 DECE C[C@H](NCc1cccc(O)c1O)[C@H](C)NC(=O)OC(C)(C)C 381359456 JXEPIBYKMBDEGC-QWRGUYRKSA-N 310.394 2.489 10 10 DECE Nc1ccc(CCNS(=O)(=O)Cc2cccc(F)c2)cc1 193341723 ZENFISLYLWBLSG-UHFFFAOYSA-N 308.378 2.070 10 10 DECE CN1CCCc2cc(CNC(=O)N[C@H]3CC[C@H](O)CC3)ccc21 245541134 KPJPJMVHMJJQIF-WKILWMFISA-N 317.433 2.172 10 10 DECE CN(C)c1ccc(CNC[C@H](CO)c2cccnc2)cc1F 808431652 XBKUSMMWSAZRNL-OAHLLOKOSA-N 303.381 2.152 10 10 DECE COc1ccc(O)c([C@@H](C)NC[C@H](CO)c2cccnc2)c1 806178875 KHVQJXIBJCPWDF-TZMCWYRMSA-N 302.374 2.223 10 10 DECE COc1cc(C(=O)OCC(=O)C(C)=O)ccc1OC1CCCC1 808506716 PRJRZXHSLAQGSG-UHFFFAOYSA-N 320.341 2.332 10 10 DECE Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c(C)n1-c1ccccn1 814143683 AVPHCASZTSPLFZ-WBVHZDCISA-N 324.428 2.265 10 10 DECE CN(C)c1ccc(/C=C/C(=O)NCCC2(C)OCCO2)cc1 716038763 OFHDXSDCECTYAJ-RMKNXTFCSA-N 304.390 2.035 10 10 DECE CCCN(Cc1ccccc1O)C(=O)CC1(O)CCOCC1 906994401 QGUJLCOFXAWQSL-UHFFFAOYSA-N 307.390 2.062 10 10 DECE CCC(=O)N1CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1 835043144 NKYTZXTXUSLAKY-JFDDCEBESA-N 301.434 2.366 10 10 DECE Cn1nccc1[C@H]1COCCN1Cc1cc2c(cc1O)CCC2 844756557 LVDNZOUTYFHFRW-QGZVFWFLSA-N 313.401 2.188 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CNCC[C@@H]2C)cc1 841716630 CDSICORMEVLGDL-WMLDXEAASA-N 318.465 2.330 10 10 DECE COC(=O)C[C@H]1CSCCN1Cc1cc2c(cc1O)CCC2 740857234 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DECE O=C(NCCCNC(=O)c1ccccc1F)c1cc(O)cs1 1137107196 ISJGEZALLHIMTC-UHFFFAOYSA-N 322.361 2.143 10 10 DECE CN1CC=C(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 897310316 POGCMKSMNZCTSA-UHFFFAOYSA-N 318.398 2.304 10 10 DECE COc1ccc(N(C)[C@H](CN)CN(C)C(=O)OC(C)(C)C)cc1 2244732427 FSDWJZUPWXEWSL-CQSZACIVSA-N 323.437 2.326 10 10 DECE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@]2(CCOC2)O1 794704803 NSNBLSIWJSCWEA-ACJLOTCBSA-N 303.402 2.261 10 10 DECE O=C(O)[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 1964722172 PRIBEDVWAOQLRC-ZDUSSCGKSA-N 320.172 2.111 10 10 DECE CN1CCc2cc(CN[C@@H]3CCCCC34OCCO4)ccc21 715681094 YOVQLQLZGXKECR-QGZVFWFLSA-N 302.418 2.454 10 10 DECE CC[C@@H](F)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1266996392 OXYBUNKWYZISMJ-ZYHUDNBSSA-N 323.372 2.305 10 10 DECE CN1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1 1472028459 DCKXTTDQWVJIHP-CQSZACIVSA-N 320.414 2.383 10 10 DECE Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c(C)nn1 1627072535 AFNSXWGIRVASAK-UHFFFAOYSA-N 308.341 2.277 10 10 DECE CSCC[C@@H](O)C(=O)NCc1c(O)ccc2ccccc12 1558554674 TYKOHUXHRNPRBW-OAHLLOKOSA-N 305.399 2.276 10 10 DECE COc1ccc(CNC(=O)c2cn3cc(C)ccc3n2)c(O)c1 1635042486 LWPKBXYFRBSAFW-UHFFFAOYSA-N 311.341 2.287 10 10 DECE COCC1(C(=O)N[C@H](C)CNCc2ccc(OC)c(C)c2)CC1 1497853693 OXHHZMKYRKUYIM-CQSZACIVSA-N 320.433 2.025 10 10 DECE O=C(c1cc2cc(O)c(O)cc2s1)N1CCn2ccnc21 1648425448 RUNVFFVEAAYWSB-UHFFFAOYSA-N 301.327 2.169 10 10 DECE Cc1cc(C(=O)NCc2cccc(O)c2O)cc(NC2CC2)n1 1651175534 BLFCPLIULKMCCL-UHFFFAOYSA-N 313.357 2.306 10 10 DECE C[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CS(=O)(=O)C1 1966029147 LWQNYTDPSYYVIN-ZETCQYMHSA-N 324.229 2.222 10 10 DECE CC(C)NC(=O)CN(C)c1ccc(/C=C/C(=O)O)cc1Cl 164367701 GRGJEKCYXBKXRZ-FNORWQNLSA-N 310.781 2.399 10 10 DECE C[C@@H](CN)N(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1914348300 MBMZMOSFFWKSNE-LBPRGKRZSA-N 300.358 2.087 10 10 DECE CN[C@H](c1ccccc1O)[C@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 1921948060 ZTZJABATXLXHOL-FABXCBLPSA-N 324.421 2.317 10 10 DECE CC(C)(C)OC(=O)NC[C@@]1([C@@H](N)c2ccccc2O)CCCO1 1923457630 LJGDENWPFQLEBR-WMLDXEAASA-N 322.405 2.466 10 10 DECE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](N)c1ccccc1O 1936987191 PWPMNJQQMYHLMN-NFAWXSAZSA-N 322.405 2.274 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Cl 2143667828 KWFLDFIBYOASHY-MNOVXSKESA-N 316.854 2.231 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 2144164426 HXNHUYPUZRNKQD-MXWKQRLJSA-N 315.822 2.083 10 10 DECE Nc1ccc(OC[C@H](O)COCCOCc2ccccc2)cc1 1983388301 FIADZPLIPWIKAU-QGZVFWFLSA-N 317.385 2.242 10 10 DECE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccn(Cc2ccccc2)n1 1992793330 FAYCSHQTMRSQOC-CQSZACIVSA-N 314.349 2.045 10 10 DECE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)CCc2ccc(N)cc2)C1 2152085962 YUIPSXPXHCDOSQ-CJNGLKHVSA-N 318.417 2.201 10 10 DECE C[C@H]1CN(Cc2ccc(Br)cc2O)[C@H]1C(=O)O 2022987049 OTHAWXQFEDIFBU-WRWORJQWSA-N 300.152 2.060 10 10 DECE O=C1N=C(N2CCCCC2)SC1=C1C(=O)Nc2ccccc21 2053466991 MBKHHQCWPKMAPD-UHFFFAOYSA-N 313.382 2.465 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2n1 2062144531 OCQIZZUKCXQORO-YPMHNXCESA-N 300.362 2.148 10 10 DECE CN1CCN(c2ccc(CN)c(Br)c2)[C@H]2CC[C@H]21 2049373625 AXSBMILHFWBTTP-KGLIPLIRSA-N 310.239 2.191 10 10 DECE OC[C@]12C[C@H]1CC[C@H]2NCc1cccc(Br)c1O 2068394401 MKWAOKSVFAAYIV-MPKXVKKWSA-N 312.207 2.405 10 10 DECE CNCc1ccc(N2CCn3cncc3C2)c(Br)c1 2270995448 IZOGFQMITOFIJM-UHFFFAOYSA-N 321.222 2.385 10 10 DECE CSc1ncc(CNC(=O)N[C@@](C)(C(=O)O)C(C)C)s1 2284555798 ICEGOBUWZPEFSP-GFCCVEGCSA-N 317.436 2.164 10 10 DECE CSc1ncc(CNc2ccccc2S(N)(=O)=O)s1 2269097724 HDEKGLMQIISOAC-UHFFFAOYSA-N 315.445 2.125 10 10 DECE CON1CC[C@H](NCc2ccc(C)c(Br)c2O)C1 2327788499 DKADJZYIVUKKNC-NSHDSACASA-N 315.211 2.188 10 10 DECE CCCN[C@](CO)(CSc1nccs1)C(C)(C)OC 2340712844 TZVQFFOSKBGPIG-CYBMUJFWSA-N 304.481 2.391 10 10 DECE COc1ccc(CC(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1 59313201 DGXNTCDWGHDMRL-UHFFFAOYSA-N 323.352 2.104 10 10 DECE NC(=O)NCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 180051369 WWYDPOKGSDOJFL-UHFFFAOYSA-N 316.317 2.081 10 10 DECE CCCSCc1noc([C@H](N)Cc2ccc(O)c(O)c2)n1 87107022 PQPJZFLPDPHHCY-SNVBAGLBSA-N 309.391 2.367 10 10 DECE CC(C)C(=O)N1C[C@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]2C1 96080866 MRBFMBJBTFCUCY-IAGOWNOFSA-N 315.461 2.299 10 10 DECE CC1(C)OC(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)O1 96565246 UJXMSKBLPSISIO-UHFFFAOYSA-N 311.677 2.468 10 10 DECE COc1cc(Cl)cc(CN2CCN(CC(F)F)CC2)c1O 273722896 IPMWLWJATWLUNP-UHFFFAOYSA-N 320.767 2.437 10 10 DECE Nc1nccc([C@H]2CCCN(Cc3cc(F)ccc3O)C2)n1 377719683 KSMIPZOUNPZPDN-NSHDSACASA-N 302.353 2.283 10 10 DECE Cc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)c(O)c1O 375112729 WPXOFMNESYLEAX-CYBMUJFWSA-N 315.325 2.474 10 10 DECE CC(C)[C@@](C)(CO)NCc1ccc(N2CCOCC2)c(F)c1 810172390 HGVJZRJZZWVYAJ-QGZVFWFLSA-N 310.413 2.159 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@H]2CCCS(=O)(=O)C2)cc1 835052537 FUPKLJKHBNAQBA-WMHVBEDNSA-N 322.474 2.180 10 10 DECE CN(CCF)C(=O)NCc1ccc(N2CCSCC2)cc1 837652333 VPXNJQZNZMYIEA-UHFFFAOYSA-N 311.426 2.351 10 10 DECE Cn1nccc1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 905740638 LFIXDSLYALOCHL-CYBMUJFWSA-N 301.346 2.192 10 10 DECE CN(C)c1ccc(/C=C/CNCCCN2CCOCC2)cc1 835033576 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CN[C@@H](c1ccccc1O)[C@](C)(O)CCNC(=O)OC(C)(C)C 1920597942 RCVHIFOVQWUASE-WMLDXEAASA-N 324.421 2.319 10 10 DECE COc1ccc(O)c([C@H]2[C@@H](N)CCN2C(=O)OC(C)(C)C)c1 1952297623 PVXDAHMOBROGOU-JSGCOSHPSA-N 308.378 2.410 10 10 DECE Oc1ccc(CN(OCc2ccccc2)C2CNC2)c(O)c1 1974667315 GOGYVHXHVNCWBP-UHFFFAOYSA-N 300.358 2.003 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1CCOC[C@@H]1F 2013761653 GVUAZALLFYOQGO-WDEREUQCSA-N 304.159 2.371 10 10 DECE C[C@H](N)c1ccc(N2C[C@H](O)C3(CC3)C2)c(Br)c1 2032399493 DMBVLRZTJYTRTE-ZANVPECISA-N 311.223 2.430 10 10 DECE C[C@@]1(O)CCCN(c2cc(Br)c(CN)cc2F)C1 310660756 VCNQOXKGONXXLW-CYBMUJFWSA-N 317.202 2.398 10 10 DECE C[C@H](O)CN(c1ccc(CN)c(Br)c1F)C1CC1 691433531 LQSMSCSVMQDSNL-QMMMGPOBSA-N 317.202 2.397 10 10 DECE CN(C)CC1CN(c2cc(Br)c(CN)cc2F)C1 382580631 OVISCTAKTNMNCS-UHFFFAOYSA-N 316.218 2.045 10 10 DECE COC1(C)CN(c2cc(Br)c(CN)cc2F)C1 382628643 YPKWPECGCYDATP-UHFFFAOYSA-N 303.175 2.272 10 10 DECE CN(C)C1[C@@H]2CN(Cc3cccc(Br)c3O)C[C@@H]12 384768630 OXFNHMBJTYZQIQ-GHMZBOCLSA-N 311.223 2.147 10 10 DECE C[C@H]1CN(C)C[C@H]1NCc1cc(Br)cc(F)c1O 722253168 LFNHUTWIYREONO-QPUJVOFHSA-N 317.202 2.334 10 10 DECE CN(CCS(=O)(=O)C(C)(C)C)Cc1cc(F)ccc1O 2170555256 ZPFXPASDWVYAIO-UHFFFAOYSA-N 303.399 2.176 10 10 DECE CN(C)c1ccc(CN=c2ccnc(Br)[nH]2)cc1 2042325737 KTKVLUCKCAARGA-UHFFFAOYSA-N 307.195 2.339 10 10 DECE OC[C@@H]1C[C@H](NCc2cc(Br)ccc2O)[C@H]2C[C@@H]21 2048007456 CCTLWXNHVXWWBE-RYDUCSDGSA-N 312.207 2.261 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]3[C@@H](O)C[C@H]32)c(Br)c1 2057961671 VCJZJEPHTUZBRF-HUJUBCJISA-N 312.207 2.462 10 10 DECE Cc1nn(C)c(CNCc2ccc(N)cc2)c1Br 2072329675 KQQOVBJSLFPPQJ-UHFFFAOYSA-N 309.211 2.363 10 10 DECE CNCc1ccc(N2C[C@H]3COCC[C@H]32)cc1Br 2073010475 ZYBDVSJWHIZZQG-SMDDNHRTSA-N 311.223 2.394 10 10 DECE COc1ccc(N2C[C@@H](O)[C@H](C)C2)c(OC)c1Br 2219391786 MOGGSIUTHUGDBD-PSASIEDQSA-N 316.195 2.283 10 10 DECE COc1cc(OC)c(N2C[C@H](C(F)F)[C@@H](N)C2)cc1Cl 2285936220 MBFFWSXCRCGUGH-CBAPKCEASA-N 306.740 2.386 10 10 DECE O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@H]21 2307986292 LJKRUVICIYRHGI-CZUORRHYSA-N 303.358 2.281 10 10 DECE Cn1nc(Br)c(N[C@@H]2CCc3cccc(O)c32)n1 2320060503 VITBTWXXRZEVQY-MRVPVSSYSA-N 309.167 2.383 10 10 DECE CN(C)c1ccc(N=NN2CCN(c3ncccn3)CC2)cc1 2330221529 VLAOLMDHDYRXNR-UHFFFAOYSA-N 311.393 2.364 10 10 DECE CCN[C@](CSc1nccs1)(C(=O)O)[C@H]1CC1(F)F 2352307610 ZFMMJCQDCWCMBF-XCBNKYQSSA-N 308.375 2.323 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(CO)c(F)c1 181207358 USHBXDIZQDRJAB-ZZXKWVIFSA-N 317.316 2.059 10 10 DECE CCCN(CC1CC1)S(=O)(=O)CCOc1ccc(N)cc1 70490662 SETPAKPFFFKXRK-UHFFFAOYSA-N 312.435 2.099 10 10 DECE COc1cnccc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 189570880 WTJWZLPMUIMOAY-SNVBAGLBSA-N 302.330 2.301 10 10 DECE Nc1ccc(OCCS(=O)(=O)NC2CCCCCC2)cc1 70490562 IIAMYFKZSDRWRO-UHFFFAOYSA-N 312.435 2.290 10 10 DECE COc1cccc(CNC(=O)C[C@H](O)c2ccccc2)c1O 89329433 UNNDMYDKASWMPX-AWEZNQCLSA-N 301.342 2.141 10 10 DECE CC(C)CN(CC(N)=O)c1ccc(CN)c(C(F)(F)F)c1 42690740 WWIDRTXJJORYBV-UHFFFAOYSA-N 303.328 2.112 10 10 DECE C[C@H](c1cc(Br)ccc1O)N1CCS(=O)CC1 132809696 HBMQSIIUTNVVJR-SECBINFHSA-N 318.236 2.280 10 10 DECE C[C@@H](CNCc1ccc(O)cc1O)CNC(=O)OC(C)(C)C 700490283 ZNKTVCYJGLWEBV-NSHDSACASA-N 310.394 2.348 10 10 DECE CC(C)n1ncc2c1C[C@H](NC(=O)c1cccc(O)c1O)CC2 364472381 MCOSYGXZVPWLLD-GFCCVEGCSA-N 315.373 2.163 10 10 DECE Cc1nc(Cl)ccc1CC(=O)NCCc1ccc(O)c(O)c1 270940856 ZXNDUOMHWILWQD-UHFFFAOYSA-N 320.776 2.356 10 10 DECE CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 274625293 MFXUDFMNXSTQHG-DLBZAZTESA-N 302.418 2.432 10 10 DECE CN(C)c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 374704929 WXRSTHWVQCUVGP-AEFFLSMTSA-N 318.461 2.410 10 10 DECE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C)C1=O 295976762 KVNCOLRDVVBKFZ-HNNXBMFYSA-N 318.417 2.389 10 10 DECE Oc1c(Br)cccc1CN1CCC2(CCN2)CC1 817865080 GFVGMLZKVDLQLX-UHFFFAOYSA-N 311.223 2.483 10 10 DECE Cc1cc(Cl)cc(CN2CCN([C@H]3CCOC3)CC2)c1O 827119272 JJWJWLXGCNQSKD-HNNXBMFYSA-N 310.825 2.261 10 10 DECE CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 822525395 GHGVYJFTXPPVTF-QGZVFWFLSA-N 310.397 2.455 10 10 DECE CN(C)c1ccc(CN[C@H](C[C@H]2CCCOC2)C(=O)O)cc1F 901927457 LNXAYFSWMRTANK-UKRRQHHQSA-N 324.396 2.251 10 10 DECE Cc1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)ccc1N(C)C 832463258 VUXXXWDBXKOWLM-SJORKVTESA-N 322.474 2.213 10 10 DECE Oc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCOC3)C1)OCO2 747833544 XTHJRFDVPUEEBL-CHWSQXEVSA-N 305.374 2.369 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCCCO 840480919 FRNJHTYZVRLYGE-OAHLLOKOSA-N 321.465 2.406 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CC3)C2)cc1 852456148 XYCLWKXALUNTOE-AWEZNQCLSA-N 303.406 2.325 10 10 DECE Nc1ccc(CCNC(=O)N[C@@H]2C[C@@H](O)c3ccccc32)cc1 851662745 HYCAZSMVOJVOMF-IAGOWNOFSA-N 311.385 2.289 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C=CCC3)C2)cc1 852450611 QEHLOIZPTFPEPL-KGLIPLIRSA-N 301.390 2.292 10 10 DECE COc1ccc(N2CCC(N[C@@H]3CC[C@@H](C)NC3)CC2)cc1 863484004 GIXHWPWLDGGLMA-GDBMZVCRSA-N 303.450 2.394 10 10 DECE O=C(NCc1ccccc1O)N[C@@H](C1CCC1)[C@@H]1CCOC1 868999199 DDSQVRKFMYHVRP-ZBFHGGJFSA-N 304.390 2.397 10 10 DECE C[C@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 862027471 UBRHGFNTHDMNJF-AAEUAGOBSA-N 300.358 2.372 10 10 DECE CC(C)CCn1cc(C(=O)N2Cc3cccc(O)c3C2)nn1 871202283 CFRJFSXOMXLJAQ-UHFFFAOYSA-N 300.362 2.186 10 10 DECE CC[C@@H](CCO)CNC(=O)c1cc2cc(O)c(O)cc2s1 896950074 DHDHHTUQXRUZLM-VIFPVBQESA-N 309.387 2.451 10 10 DECE COc1cccnc1C(=O)NCc1ccc2c(c1)CCCN2C 1136436704 GVJNJSCHSVYRKC-UHFFFAOYSA-N 311.385 2.403 10 10 DECE CC(=O)C(=O)[C@@]1(O)CCC(F)(F)C[C@H]1OCc1ccccc1 1959250649 WQTFKMQQJOEVAM-CZUORRHYSA-N 312.312 2.280 10 10 DECE OC[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H]1CO 1899869688 FTNJSWWLSHRQKL-IRXDYDNUSA-N 313.397 2.303 10 10 DECE CN(C)Cc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1159495433 WFYJPQBXZKUGAU-UHFFFAOYSA-N 300.358 2.341 10 10 DECE Cc1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1CCOC1 1304794714 PBWJLCGSEHLGHX-AWEZNQCLSA-N 316.405 2.355 10 10 DECE CCc1cc(C(=O)NCc2ccc3cccnc3c2O)n(C)n1 1162612310 GVXOWTNMGOKAKN-UHFFFAOYSA-N 310.357 2.166 10 10 DECE CN1CCN(c2ccc(CNC3C[C@@H]4C[C@H]4C3)cc2F)CC1 1348860000 LIHAUXVOJCHCHY-GJZGRUSLSA-N 303.425 2.466 10 10 DECE O=C(NCc1ccc(O)cc1O)[C@@H](CO)c1ccc(Cl)cc1 1469158925 GWGBMDQKKBKQLI-AWEZNQCLSA-N 321.760 2.144 10 10 DECE COc1c(C)cccc1CNC(=O)c1c(F)ccc(O)c1O 1559006109 WLANGCLVBDGYBS-UHFFFAOYSA-N 305.305 2.484 10 10 DECE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2ncc[nH]2)cc1 1639480491 KUMJJNXOAGUZMW-INIZCTEOSA-N 324.384 2.281 10 10 DECE Cc1ccc([C@@H](O)[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1643646522 RNLYRXPIPXZOFM-SGTLLEGYSA-N 315.369 2.187 10 10 DECE CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C 5888582 FBPSPGSEWZLAHP-RVDMUPIBSA-N 314.385 2.445 10 10 DECE Nc1ccc(CCCN2CCN(c3nccs3)CC2)cc1 158194063 NDZFDFKMLFZMLJ-UHFFFAOYSA-N 302.447 2.480 10 10 DECE C[C@@]1(CNCc2ccc(Br)cc2O)COCCO1 1967800830 ZZRBZLVZCZYSRM-CYBMUJFWSA-N 316.195 2.050 10 10 DECE CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(O)cc2O)CC1 1952060525 FCEDXLXLOJZSSX-ZDUSSCGKSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1ccc(O)c(O)c1 1952210945 AOFFAZXHZAYJSN-LBPRGKRZSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]1CCC(=O)C(=O)C[C@H]1C[C@H](N)C1 1980369505 LXIUUPRCSDWLGT-JHJVBQTASA-N 324.421 2.042 10 10 DECE CC(C)(C)NCc1cnc(SCCS(C)(=O)=O)s1 2037790177 MTMBMGLQHVREJO-UHFFFAOYSA-N 308.494 2.168 10 10 DECE CCC(=O)NCCCNCc1ccc(Br)cc1O 2040870392 RWRCJAVQLOFINT-UHFFFAOYSA-N 315.211 2.161 10 10 DECE CCOC(=O)c1cnc(Sc2nnc(O)n2C(C)C)s1 380343804 WJECXNMMZVOAEO-UHFFFAOYSA-N 314.392 2.349 10 10 DECE Cc1ccccc1C1(C(=O)NCc2c(O)cc(O)cc2O)CC1 2063033577 JPSAEVUHMIFOTC-UHFFFAOYSA-N 313.353 2.460 10 10 DECE C[C@H](N)c1ccc(N2CCN(C)[C@@H]3C[C@H]32)cc1Br 2049381322 UUHMOPGACICHMN-CUOATXAZSA-N 310.239 2.362 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1Br 2056995972 WXAUHMPNBQJOIU-ZDMBXUJBSA-N 318.186 2.269 10 10 DECE CN[C@H](C)c1cc(F)c(N(C)[C@H](C)C[S@@](C)=O)c(F)c1 2194687687 GFLZZRJRWUSFAL-ODXZIHIVSA-N 304.406 2.448 10 10 DECE CN(CCCN=[N+]=[N-])S(=O)(=O)C[C@H]1C[C@H]1C(F)(F)F 2108415301 IJGALMBMHJKURH-HTQZYQBOSA-N 300.306 2.147 10 10 DECE CC(C)(NCc1cc(Cl)cc(Cl)c1O)c1nn[nH]n1 2094712380 NVQYJMHEABYPAW-UHFFFAOYSA-N 302.165 2.237 10 10 DECE Nc1ccc(CCNS(=O)(=O)c2ccc(Cl)o2)cc1 2096470256 PGJSATIDQIEXMH-UHFFFAOYSA-N 300.767 2.036 10 10 DECE Cc1ccc(CN=c2[nH]nc(Br)s2)c(O)c1 2210590652 KQGWYGSFNXIPSI-UHFFFAOYSA-N 300.181 2.349 10 10 DECE CCN[C@@H](C)c1cnc(Sc2nnnn2CC(F)F)s1 2234022834 QPKPOZLYTNITGH-LURJTMIESA-N 320.394 2.216 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCC[C@H](O)[C@H]1O 2224349855 RIASZLGXRPDZRY-MDZLAQPJSA-N 306.189 2.063 10 10 DECE COc1ccccc1C=CC(=O)NCCc1ccc(O)c(O)c1 2301398134 FUCMGLFUZXADRR-UHFFFAOYSA-N 313.353 2.479 10 10 DECE OC[C@@H]1C[C@@H](NCc2c(O)cccc2Br)[C@@H]2C[C@H]12 2309229427 VMGYLXPRXZQOQK-DCJFZGGZSA-N 312.207 2.261 10 10 DECE Cc1ccc(CN(C)Cc2ncno2)c(O)c1Br 2327789830 OZPNKJOQXSGADP-UHFFFAOYSA-N 312.167 2.478 10 10 DECE CSc1ncc(CNC[C@@H]2CC[C@H]3COC[C@H]3O2)s1 2351606009 DYIZYGCHKBZHAO-JBLDHEPKSA-N 300.449 2.149 10 10 DECE O=C(O)[C@]1(Sc2nccs2)CCCN2CCSC[C@H]21 2351985599 HBMJYHHGKAFFJA-CABZTGNLSA-N 316.473 2.270 10 10 DECE 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1480559896 QFORYFPTWWTKJI-LBPRGKRZSA-N 319.430 2.368 10 10 DECE COCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[C@@H](C)C1 1634540462 NRPINHSGJOWVPA-TZMCWYRMSA-N 307.390 2.304 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 1630084500 JYDDUUJZWAXHIQ-FSPWUOQZSA-N 313.328 2.234 10 10 DECE CC1(C)CCCN(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1 1912189371 UQKNMGCLTLPRFL-LLVKDONJSA-N 301.416 2.128 10 10 DECE CN(C)c1ccc(CN2CCN(Cc3ccno3)CC2)cc1 1644305101 IHBIWBMBDWKJGF-UHFFFAOYSA-N 300.406 2.058 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cnn(C)c2-n2cccc2)c1 1584983071 BKYFADOXGYXZEO-UHFFFAOYSA-N 310.357 2.155 10 10 DECE O=C(NCc1cc(O)ccc1O)c1ccnc(Br)c1 1593873581 SGNGAKWUBWDLCP-UHFFFAOYSA-N 323.146 2.185 10 10 DECE CNc1cc(C(=O)NCc2c(O)cccc2O)cc(Cl)n1 1597573802 HCRMAIWGLMZQRF-UHFFFAOYSA-N 307.737 2.118 10 10 DECE CC[C@H](O)[C@@H](C)NCc1c(Br)ccc(OC)c1O 1965894514 WNNNVEIUPRGFHY-KCJUWKMLSA-N 318.211 2.412 10 10 DECE C[S@](=O)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 161242325 QMHDPVKXNZBOED-KSFYIVLOSA-N 316.426 2.047 10 10 DECE CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 169813061 USRMFAIEPXWGAH-HNNXBMFYSA-N 300.406 2.348 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1900607834 RGZWFZHHGQEYLU-GDNZZTSVSA-N 323.397 2.258 10 10 DECE CC(C)(CNC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977672472 LMLAMFAKEROSRU-UHFFFAOYSA-N 321.421 2.231 10 10 DECE Cn1[nH]c(=NCc2cccc(Br)c2O)cc1F 2011612948 DCNNXOAGXFEGTI-UHFFFAOYSA-N 300.131 2.061 10 10 DECE C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 282233555 FPUVMRRAENUHCJ-WRWORJQWSA-N 303.189 2.456 10 10 DECE OCc1ccc(N2CC[C@@H]3[C@H](CO)[C@@H]3C2)cc1Br 2032241583 XPCVRYLAEOMRLK-XQQFMLRXSA-N 312.207 2.006 10 10 DECE C[C@H]1C[S@@](=O)CCN1c1ccc(CN)c(C(F)(F)F)c1 2171968403 IFSYPQXGSSATKL-LXGOIASLSA-N 306.353 2.121 10 10 DECE Oc1cc(Br)ccc1CNC[C@@H]1CCC[C@H]1O 691417244 UZBWCJDKCVYDCB-JOYOIKCWSA-N 300.196 2.405 10 10 DECE NC[C@]12CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]1CCO2 2175183016 OWGQPFFSRQHPQJ-YGRLFVJLSA-N 317.216 2.249 10 10 DECE C[C@H]1CN(c2ccc(CN)c(Br)c2)CC[C@H]1CO 2046691211 UOOKHIUNDSEUQF-JQWIXIFHSA-N 313.239 2.363 10 10 DECE CO[C@]1(CN(C)c2cc(Cl)c(CN)cc2F)CCOC1 2186285195 KPMDZUGXQLXAGI-AWEZNQCLSA-N 302.777 2.180 10 10 DECE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1Br 2078267632 NKVSINHDYMMCDD-UGIUPUBSSA-N 311.223 2.286 10 10 DECE C[C@]12CC[C@H]1C(=O)N(c1ccc(N)c(Br)c1)C2=O 2086102541 VJXAEEDXMXTGGA-SDBXPKJASA-N 309.163 2.321 10 10 DECE Cc1c(C=CC(=O)N2CCSc3ncccc32)cnn1C 2304258441 OWNNIDGYGXNYNG-UHFFFAOYSA-N 300.387 2.276 10 10 DECE COc1ccc(N2CC(n3cc(Br)cn3)C2)c(N)c1 2336517395 XUXBEPDAXNGPMJ-UHFFFAOYSA-N 323.194 2.298 10 10 DECE CN(C)c1nc(Cl)nc2c1ncn2Cc1ccc(N)cc1 29569958 YMZDRVLWLRZEMP-UHFFFAOYSA-N 302.769 2.176 10 10 DECE CC(C)(C)OC(=O)N1CCO[C@@H]2Cc3c(ccc(O)c3O)C[C@@H]21 116520268 UQXKNOJKBQPFAR-GXTWGEPZSA-N 321.373 2.201 10 10 DECE COC[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21 178505597 WZHHBSIYNVCDCN-NSHDSACASA-N 305.296 2.345 10 10 DECE O=S1(=O)C[C@H]2Nc3ccccc3N[C@@H]2N1Cc1ccccc1 33895903 NHKBGLRGUGDKOG-HZPDHXFCSA-N 315.398 2.064 10 10 DECE Cc1ccc(O)c([C@H](C)NC[C@@H](c2cnn(C)c2)N(C)C)c1 185485151 DIBAKPIMYYLGBN-BBRMVZONSA-N 302.422 2.388 10 10 DECE CCOc1ccc(O)c(CNC[C@]2(O)C[C@H](OCC)C2(C)C)c1 188918561 LMKKSYDHLPQGSM-FUHWJXTLSA-N 323.433 2.447 10 10 DECE Cc1cccc(C[C@@H](CO)NCc2cc3c(cc2O)OCO3)c1 189003673 CAUJZBHAOXSQAH-HNNXBMFYSA-N 315.369 2.123 10 10 DECE CNC(=O)NC(=O)[C@@H](Sc1nccs1)c1ccccc1 48874795 OXYZTDLFKNYZAJ-JTQLQIEISA-N 307.400 2.432 10 10 DECE Cc1sc([C@@H](NCCN=[N+]=[N-])C(N)=O)cc1Br 227902897 BWEPTAAMQNDMMK-MRVPVSSYSA-N 318.200 2.245 10 10 DECE CN(C)c1ccc(CN(C)c2nccn(C(F)F)c2=O)cc1 288224129 VTSDTMJTAJDVEG-UHFFFAOYSA-N 308.332 2.341 10 10 DECE C[S@@](=O)CC1CN(c2ccc(CNC3CC3)cc2Cl)C1 2166657975 TVPDSBDWQXCTBV-HXUWFJFHSA-N 312.866 2.407 10 10 DECE CN(C)c1ccc(CNC(=O)CN2CCC[C@](C)(F)C2)cc1 295272637 CLCFECRKPKKIOO-KRWDZBQOSA-N 307.413 2.193 10 10 DECE Cc1ccc(C(=O)N[C@H](C)[C@](C)(O)c2ccccc2)c(O)c1O 846400168 CLSXOBUIQJCRNL-XIKOKIGWSA-N 315.369 2.432 10 10 DECE CCO[C@@H](CNCc1c(O)ccc(Cl)c1F)CN(C)C 922753725 IFCLHEUIDXSQJC-JTQLQIEISA-N 304.793 2.241 10 10 DECE O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)CCc2ccccc2)c1 922546171 ZIRHNOCASQDXBX-OAHLLOKOSA-N 316.357 2.384 10 10 DECE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2cc(O)cs2)cn1 855868204 ANWOEJMWVUQKAG-DGCLKSJQSA-N 305.403 2.328 10 10 DECE CC(C)OC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 851637928 ROAVGMJTVUNUPW-KRWDZBQOSA-N 321.465 2.242 10 10 DECE CC1(C)OCC[C@H]1CNCc1ccc(N2CCOCC2)cc1 850408296 GXCLBXBZCQTDSF-INIZCTEOSA-N 304.434 2.428 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CCCCO3)C2)cc1 855227247 WQQYSXHQWXSHNU-RDTXWAMCSA-N 318.417 2.349 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]3C)C2)cc1 852330055 AYAUBWGRJAYHDX-HEHGZKQESA-N 303.406 2.372 10 10 DECE Cc1ccc(O)c(CNC(c2ccnn2C)c2ccnn2C)c1 858322277 VJRXEQHUOVVZOG-UHFFFAOYSA-N 311.389 2.047 10 10 DECE Cc1ccc(C(=O)N2C[C@@]34CCCC[C@]3(COC4)C2)c(O)c1O 856422189 HSBHAFFZPQXMAU-QZTJIDSGSA-N 317.385 2.439 10 10 DECE C[C@@H](NC1CN(c2ccncn2)C1)c1cc(Cl)ccc1O 866496613 SWBODRDKGSPOAC-SNVBAGLBSA-N 304.781 2.375 10 10 DECE C[C@H](NS(=O)(=O)N1CCC[C@H]1C)c1ccc(N(C)C)cc1 773089107 RKVJTKLLXKMNKT-OLZOCXBDSA-N 311.451 2.132 10 10 DECE CC1([C@H]2CCCCN2C(=O)Nc2ccc(N)cc2)OCCO1 1876170767 AQERIQMXLQQHND-CQSZACIVSA-N 305.378 2.418 10 10 DECE CCCCCc1cc(C(=O)NCc2cccc(O)c2O)n[nH]1 1123888400 IUAVRRMEVWIEDQ-UHFFFAOYSA-N 303.362 2.484 10 10 DECE CN(C)C(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 1135847880 SEPRUEWHLBCWTD-UHFFFAOYSA-N 300.314 2.052 10 10 DECE C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCOCC2)cc1 792052243 QEXUWRDCUNGNEF-ZIAGYGMSSA-N 303.406 2.216 10 10 DECE CNC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O 133590728 ARUQRWICXMUTMO-LLVKDONJSA-N 303.189 2.409 10 10 DECE CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(N)cc1 1959382096 FRWGXXQCVPOAOD-UHFFFAOYSA-N 308.382 2.305 10 10 DECE O=C(NCc1c(O)cccc1O)[C@H]1Cc2ccccc2S1 1304051024 RYUSHJGJPUPRIM-OAHLLOKOSA-N 301.367 2.431 10 10 DECE CC(C)(C)OC(=O)N1CC(NCc2ccc(F)c(F)c2O)C1 703393804 DNTSNYOKHSQKAT-UHFFFAOYSA-N 314.332 2.379 10 10 DECE CC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1507055295 FNJIYDQACMBBIU-GDBMZVCRSA-N 322.449 2.365 10 10 DECE C[C@H](NC(=O)CCN1CC[C@@H](F)C1)c1ccc(N(C)C)cc1 1447965012 DIHWYVGAMOFWFU-DZGCQCFKSA-N 307.413 2.364 10 10 DECE CC(=O)Nc1cc(C(=O)NCc2cc(O)ccc2O)ccc1F 1455357866 WKPUXCYNSXUZLI-UHFFFAOYSA-N 318.304 2.125 10 10 DECE CN(C)c1ccc(CNC(=O)c2ncc3c(F)cccn23)cc1 1524861178 FTWRPVQAJPJLBZ-UHFFFAOYSA-N 312.348 2.469 10 10 DECE COc1ccnc(OC)c1NC(=O)c1ccc(C)c(O)c1O 1471785991 SZMBIKSOEKMIIZ-UHFFFAOYSA-N 304.302 2.071 10 10 DECE O=C(NCc1ccc(O)cc1O)C(=O)c1ccc(Cl)s1 1557084537 DFLONWUUXFNERF-UHFFFAOYSA-N 311.746 2.312 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cccc2nn[nH]c12 1638573305 RDTOKWJQNQSYBZ-UHFFFAOYSA-N 319.324 2.142 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(O)c(F)c1 1567467581 MPKFSLSJMDHOPI-SNVBAGLBSA-N 319.332 2.232 10 10 DECE [N-]=[N+]=NC1CN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 1912183654 SALLBFLLSWVOQY-UHFFFAOYSA-N 300.771 2.108 10 10 DECE Cc1nc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2[nH]1 1860372748 OOVVHZAYQVJYOV-UHFFFAOYSA-N 311.341 2.255 10 10 DECE CN[C@H](c1ccccc1O)C1(O)CC(NC(=O)OC(C)(C)C)C1 1922455856 SVXSSVBPVPAJPI-CHHLVHLRSA-N 322.405 2.071 10 10 DECE [N-]=[N+]=NS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 1936187369 IRKCDQBBIVOMDU-UHFFFAOYSA-N 306.097 2.146 10 10 DECE O=C(O)[C@H]1CCN[C@@H](c2cccc(Br)c2O)C1 1952535239 CJUKQDLWTUEKHU-OIBJUYFYSA-N 300.152 2.280 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)N1CC(N=[N+]=[N-])C1 1985100323 FNKNGNOMNJQMNR-MNOVXSKESA-N 323.397 2.401 10 10 DECE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 309578953 ZFXMSHOFSNOVFS-OAHLLOKOSA-N 303.366 2.006 10 10 DECE Oc1c(Cl)cc(Cl)cc1CNCC1CN(C2COC2)C1 2171176362 AIECEBMZPFMDBO-UHFFFAOYSA-N 317.216 2.119 10 10 DECE CN1CC(CN(C)c2cc(Br)c(CN)cc2F)C1 692254878 PPSFQVWMSCUSCU-UHFFFAOYSA-N 316.218 2.045 10 10 DECE CN[C@H](C)c1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 723191608 IIYBFMNKHJDONV-RKDXNWHRSA-N 314.227 2.040 10 10 DECE CCc1cc(C(=O)NC2CC2)n(Cc2cc(OC)ccc2O)n1 2070098581 ZAFLZHWGUCOCOQ-UHFFFAOYSA-N 315.373 2.100 10 10 DECE CN[C@@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2179927352 VXYSSHLEWXPBRG-JQWIXIFHSA-N 316.854 2.244 10 10 DECE O=C(O)[C@H]1C=CCN(Cc2c(O)cccc2Br)C1 2041797717 JSWGQDBMPDVILS-VIFPVBQESA-N 312.163 2.227 10 10 DECE CCn1nc(Br)c(CNCc2ccccc2O)n1 2048790708 PYCNMFIKWDZCIV-UHFFFAOYSA-N 311.183 2.056 10 10 DECE CN[C@H](C)c1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2071558406 MGJFSRGIAYDMAG-MRVPVSSYSA-N 314.183 2.195 10 10 DECE CCCS(=O)(=O)CCN(C)Cc1c(O)cccc1Cl 2114148413 RNQPHLKGLNUWCR-UHFFFAOYSA-N 305.827 2.302 10 10 DECE CSc1ncc(CN2C[C@@](C)(CNCC(C)C)C2=O)s1 2284675437 ABDGRTKBCXJKAT-CQSZACIVSA-N 313.492 2.459 10 10 DECE CCN(C)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 66977690 XIDHRSMLXQGBMJ-UHFFFAOYSA-N 324.444 2.423 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCCC[C@]2(C)C(N)=O)c1O 185925229 UJVIOOVHBPTKEH-MRXNPFEDSA-N 324.808 2.478 10 10 DECE CO[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1(C)C 318726455 SWHNUOGYXDILSF-SJORKVTESA-N 304.434 2.426 10 10 DECE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2ccnn2)cc1 193147984 PNPRKCIRYWHZOA-LLVKDONJSA-N 324.340 2.170 10 10 DECE O=S(=O)(Nc1ccc(O)c(F)c1)c1cccnc1Cl 85201097 SQDNXUPUNHAQEJ-UHFFFAOYSA-N 302.714 2.381 10 10 DECE CCNCc1ccc(N(C)[C@@H](C)CO)c(Br)c1 233511891 ROWFDOFRSOZWDL-JTQLQIEISA-N 301.228 2.376 10 10 DECE COc1cccc(O)c1CNCc1conc1Br 2223008439 SAAJXKNSUFVDCX-UHFFFAOYSA-N 313.151 2.441 10 10 DECE CC(=O)C(=O)COC(=O)c1c(-n2cccc2)sc2c1CCC2 808530556 AITPCUKOZCIBJB-UHFFFAOYSA-N 317.366 2.342 10 10 DECE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC34CC4)C2)cc1 819587593 NNWDPJDEADLEQW-BBRMVZONSA-N 300.402 2.438 10 10 DECE CCOc1cccc(CN2CCO[C@H](CCCN(C)C)C2)c1O 827856602 QOYAAULXRYPUNT-MRXNPFEDSA-N 322.449 2.334 10 10 DECE COc1ccc(O)c([C@@H](C)NCc2cn(CC3CC3)nn2)c1 828683220 XFOQHHWPMALNGI-LLVKDONJSA-N 302.378 2.253 10 10 DECE O=S(=O)(CC1(F)CC1)NCCCSc1nccs1 914105543 GEUDMXYNPAUTNC-UHFFFAOYSA-N 310.441 2.047 10 10 DECE COc1cccc([C@H](C)NCC(C)(C)[C@@]2(O)CCOC2)c1O 846172988 OQRDVVRECNZAKT-YVEFUNNKSA-N 309.406 2.229 10 10 DECE Cc1nccn1C[C@H](C)CNC(=O)NCc1c(O)cccc1F 915664206 ZCECTJIGRRJMMB-LLVKDONJSA-N 320.368 2.172 10 10 DECE Oc1cc2c(cc1CN1CCCC[C@H]1[C@H]1CCNC1)OCO2 841086260 GSQASHFSARADGO-JSGCOSHPSA-N 304.390 2.085 10 10 DECE CCc1cccc(CN2CC[C@@H](CN3CCOC3=O)C2)c1O 848914276 KLPPWOGFQZSOPV-CYBMUJFWSA-N 304.390 2.229 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)OCC(C)C)C2)cc1 855230152 NVWMBSFQNDRSHF-GJZGRUSLSA-N 320.433 2.451 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NN1C[C@H]2CCC[C@@H](C2)C1 921773403 RLEOUZJHHPHCMX-MPCGPATOSA-N 302.374 2.264 10 10 DECE CN1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1 854512852 DQRRUCCTYGEQTA-ZDUSSCGKSA-N 321.384 2.287 10 10 DECE COc1cc(CN2CC(=O)N(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 799957076 ZHYDJUJGTNGSOJ-LBPRGKRZSA-N 320.433 2.361 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 1141731028 PCGUBEZBVQCWDG-WBVHZDCISA-N 317.385 2.200 10 10 DECE COC(=O)/C=C/c1ccc(N(C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 1164094482 YTAQBXXKMXWMSH-GQCTYLIASA-N 316.317 2.141 10 10 DECE CC1(C)[C@@H]2C(=O)N(c3ccc(N)c(Br)c3)C(=O)[C@H]21 211495195 LTHCXFMXPISVPZ-UWVGGRQHSA-N 309.163 2.177 10 10 DECE C[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)[S@](C)=O 1348090587 ZOKKICZXPDZDEM-FVINQWEUSA-N 304.406 2.278 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCCOc1ccccc1 1440709597 LUAOBIQCVADVSA-UHFFFAOYSA-N 301.342 2.226 10 10 DECE Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)no1 1444358872 RYFCEWBDEOTZJH-GFCCVEGCSA-N 317.345 2.086 10 10 DECE O=C(c1cccc(O)c1O)N1CCSC[C@H]1c1nccs1 1556264731 AHSMJIZMTKECBT-JTQLQIEISA-N 322.411 2.485 10 10 DECE CC[C@@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1496019080 XTRKZSQWKFNYFK-GOEBONIOSA-N 322.449 2.365 10 10 DECE Cc1cc(F)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1N 1632680720 CUQUNXZHJUMVRA-SNVBAGLBSA-N 318.348 2.489 10 10 DECE CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cc(O)ccc1O)C1CC1 1633599073 NTIPNVBQGKABTM-CQSZACIVSA-N 321.373 2.082 10 10 DECE [N-]=[N+]=NCC1CCN(CCS(=O)(=O)C2CCCC2)CC1 1912187225 JBSZBOZIDQGCOP-UHFFFAOYSA-N 300.428 2.366 10 10 DECE O=C(NCc1cccc(O)c1O)c1ncoc1C(F)(F)F 1644710600 FUJHBLOCCAXOJY-UHFFFAOYSA-N 302.208 2.035 10 10 DECE CCn1ccnc(N(C)Cc2ccc(N3CCCC3)cc2)c1=O 1651339139 INTSMYWCPRPLLG-UHFFFAOYSA-N 312.417 2.500 10 10 DECE COC1(OC)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1 14681313 SVSDBMDJWUPWHK-UHFFFAOYSA-N 318.325 2.394 10 10 DECE biogenic,in-vitro CNCc1ccc(N2CC(C)(C[S@@](C)=O)C2)c(Cl)c1 2129778098 YJBGZRKSTUYRFO-LJQANCHMSA-N 300.855 2.264 10 10 DECE C[C@H](O)c1ccc(N2CCn3nncc3C2)cc1Br 2130072256 UXZDAAQFLNYUNA-VIFPVBQESA-N 323.194 2.114 10 10 DECE N[C@@H]1CC(CN2CCCc3cccc(Br)c32)=C[C@@H]1O 2131475065 NQCCOHVLCWRWFW-KGLIPLIRSA-N 323.234 2.220 10 10 DECE NC[C@H]1CC[S@](=O)(=Nc2ccc(C3=S=CC=C3)s2)C1 2140953698 ZOFTYDVJRWKHGS-GIGQVBGESA-N 312.485 2.452 10 10 DECE Cc1ccc(O)c(CNOC2CN(C(=O)OC(C)(C)C)C2)c1 1975280113 XFOFZUPJINWZCG-UHFFFAOYSA-N 308.378 2.341 10 10 DECE C[C@@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Cl)c1 2153849269 QHGOYHCLOLQFPG-NOZJJQNGSA-N 316.854 2.372 10 10 DECE C[C@@H]1CNCCCN1Cc1cc(Br)cc(F)c1O 2041232327 YWBTWDXWKVLRMS-SECBINFHSA-N 317.202 2.478 10 10 DECE C[C@H](CNC(=O)CCc1ccc(N)cc1)CC1(C)OCCO1 716023915 SDWIDIMAWHHVTC-ZDUSSCGKSA-N 306.406 2.107 10 10 DECE CCNCc1ccc(N2CCSC[C@H]2CO)c(Cl)c1 387946634 AAMJGJAHPQWNFL-GFCCVEGCSA-N 300.855 2.364 10 10 DECE OCc1ccc(N2CCN3CCC2CC3)cc1Br 722771861 YKGSGPUIPRUFRF-UHFFFAOYSA-N 311.223 2.226 10 10 DECE CO[C@@H](C(=O)NCc1c(O)cc(O)cc1O)C1CCCCC1 2062289881 ZVBHJGORAQAEMO-OAHLLOKOSA-N 309.362 2.015 10 10 DECE CCNCc1ccc(N2CC=C[C@@H]2CO)c(Br)c1 2056282033 PPMSHGXIGCIUCA-GFCCVEGCSA-N 311.223 2.296 10 10 DECE Cc1cccc(CNS(=O)(=O)c2cncc(Cl)c2)c1O 2204621566 NELQIHFQCZESAZ-UHFFFAOYSA-N 312.778 2.228 10 10 DECE COc1ccc(Br)c(CNC2(C)CC(O)C2)c1O 2208693697 UEOBEHMCMBBPKX-UHFFFAOYSA-N 316.195 2.166 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCC[C@@H](CNC2)C3)s1 2284493720 DVFVVOJYXUIOLN-QMTHXVAHSA-N 311.476 2.261 10 10 DECE CSc1ncc(CNC(=O)[C@@]23CCC[C@]2(C(=O)O)C3)s1 2284535698 BVFJOWBUZKAJBB-QWHCGFSZSA-N 312.416 2.126 10 10 DECE COCCN(Cc1ccco1)C(=O)C=Cc1ccc(O)c(O)c1 2307986211 GCHMUORALAJBHT-UHFFFAOYSA-N 317.341 2.379 10 10 DECE Cc1ccc(CN(C2CC2)C2CNC2)c(O)c1Br 2327790429 SZXLASHVQGCSEG-UHFFFAOYSA-N 311.223 2.399 10 10 DECE COc1cnc(CNCc2cc(Br)ccc2O)nc1 2352411994 XZPCDGIDNPULGR-UHFFFAOYSA-N 324.178 2.243 10 10 DECE Cc1ccn2ncc(C(=O)NCc3ccc(N(C)C)cc3C)c2n1 115279799 BPPPRFFIEVLKIO-UHFFFAOYSA-N 323.400 2.342 10 10 DECE CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)c1 120753269 KCWBYYWTDVYEPZ-GDBMZVCRSA-N 322.449 2.068 10 10 DECE COc1ccc(N2CCN(c3cnnc(O)c3Cl)CC2)cc1 78991772 FISYILROHAFZOD-UHFFFAOYSA-N 320.780 2.171 10 10 DECE COc1ccc(O)c(CN[C@@H](c2ccncc2)c2ncc[nH]2)c1 189166497 WKSGNZGOFYOIRK-INIZCTEOSA-N 310.357 2.398 10 10 DECE CC(C)N(CC(=O)NCC(F)(F)F)c1ccc(CN)cc1 49309706 HZXDEMZBRDYLRT-UHFFFAOYSA-N 303.328 2.039 10 10 DECE Cc1nc(CN(C)C(=O)CCOc2ccc(N)cc2)cs1 44594998 XNGDUIUJKLITDG-UHFFFAOYSA-N 305.403 2.461 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCn2ccnc21 80502869 AUBBIAWIVZWJIE-INIZCTEOSA-N 312.417 2.485 10 10 DECE Cc1c(N)cc(N)c(N=Nc2ccc(S(=O)(=O)O)cc2)c1N 254393239 ANIVSKARSHPNHO-UHFFFAOYSA-N 321.362 2.404 10 10 DECE CCCNC(=O)CCCN1CCN(c2ccc(OC)cc2)CC1 297793128 HKIXHDSQFZSJKH-UHFFFAOYSA-N 319.449 2.124 10 10 DECE CN(C)c1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1 824451130 IAPUOKBMCRXROH-OAHLLOKOSA-N 303.406 2.027 10 10 DECE C[C@@H]1OC(=O)N[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O 575259309 KCASDWSPEZHDCV-NVNXEXLPSA-N 317.095 2.232 10 10 DECE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCn3ccnc32)c1 834829922 ABNFCFJAWIGHCV-GWCFXTLKSA-N 301.346 2.171 10 10 DECE CO[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCOC1 850344020 ZZNFUSQLZUZWJR-ZFTGLFDFSA-N 304.434 2.407 10 10 DECE COc1ccc(N(C)CCN(C)C(=O)[C@H](OC)C2CCC2)cc1 855020388 OLOYUTMWXFUDDL-QGZVFWFLSA-N 320.433 2.405 10 10 DECE CCOc1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)c(O)c1 858343372 YZJIUJKJYOCPFA-OAHLLOKOSA-N 304.390 2.034 10 10 DECE COc1cccc(CN2CC(=O)N(C)c3ccccc3C2)c1O 857880279 FLULBSQPMLFXOW-UHFFFAOYSA-N 312.369 2.379 10 10 DECE COc1ccc(CNC(=O)NCc2ccc(Cl)cn2)c(O)c1 793039607 XAHZAYMSBFNQEL-UHFFFAOYSA-N 321.764 2.449 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCc1cccc2[nH]ccc12 1155582992 FZQHGNWSWAMDLY-UHFFFAOYSA-N 310.353 2.481 10 10 DECE COc1cccc(CNC(=O)c2c(O)cccc2OC)c1O 1150543602 QTHUOFXPERUTAN-UHFFFAOYSA-N 303.314 2.045 10 10 DECE CNC(=O)c1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 1307192905 MCHMLWASTVNLQQ-UHFFFAOYSA-N 313.313 2.180 10 10 DECE Cc1cc(C(=O)NCc2cccc(O)c2O)c2c(C)noc2n1 1176565477 LACAOQKMGZKEEK-UHFFFAOYSA-N 313.313 2.181 10 10 DECE COc1ccc(CNCC[C@@H](C)NC(=O)[C@H](C)OC)cc1C 1320362679 QAJZLNBPRJYDJT-KGLIPLIRSA-N 308.422 2.023 10 10 DECE COC(CNCc1cc(Br)cc(F)c1O)OC 715790644 VOONXJNKNWZSMQ-UHFFFAOYSA-N 308.147 2.002 10 10 DECE COCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 212131536 GZZNJWWRPUTLEY-DHZHZOJOSA-N 324.383 2.442 10 10 DECE CC(C)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1700780011 HTORUKRADNMUKV-NSHDSACASA-N 305.382 2.308 10 10 DECE COCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1543797993 OVHHHQDOLACSBE-UHFFFAOYSA-N 317.341 2.304 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H](O)Cc1ccccc1 1630532740 PNHCOVIQRMWRSP-INIZCTEOSA-N 322.364 2.160 10 10 DECE Cc1ccc(F)c(N)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1638347034 AVTLTYTURXAVKE-SNVBAGLBSA-N 318.348 2.489 10 10 DECE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccc(F)c(Cl)c1F 1912153104 DGVUSRAIRAVVRS-JTQLQIEISA-N 303.700 2.435 10 10 DECE Cc1ccc(-c2cc(C(=O)NCc3c(O)cccc3O)n[nH]2)o1 1652622599 AHOLFWFCFQMWKQ-UHFFFAOYSA-N 313.313 2.319 10 10 DECE Cc1nsc(Br)c1[C@@H](NN)c1ccccc1O 1912980102 GDYWGINKROREDC-JTQLQIEISA-N 314.208 2.472 10 10 DECE COC(=O)Cc1sccc1C(=O)NCc1ccccc1O 1595793305 TYKJQZLJPRKZKI-UHFFFAOYSA-N 305.355 2.099 10 10 DECE Nc1ccc(Cc2n[nH]c(=O)n2-c2ccccc2Cl)cc1 161031172 KPRJOOHCFDMWHS-UHFFFAOYSA-N 300.749 2.387 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2N)cc1F 167739808 WEKLHEYCKCYIKE-ZFWWWQNUSA-N 307.413 2.416 10 10 DECE CSCCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 152439036 YXBJZZDIYBIELY-VMPITWQZSA-N 320.458 2.358 10 10 DECE Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 6520226 DTFXGVGIKNSCQQ-UHFFFAOYSA-N 316.265 2.296 10 10 DECE biogenic,in-vitro CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1CCO 251210554 JROHSCKWMAGZHA-HOTGVXAUSA-N 305.422 2.223 10 10 DECE c1cc(N2CCCC2)ccc1CN1CCO[C@]2(CCOC2)C1 1204323322 GYQDMUUDGTXVFN-GOSISDBHSA-N 302.418 2.278 10 10 DECE C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 235192698 FYXQBLKKQGHIDL-SNVBAGLBSA-N 308.378 2.368 10 10 DECE CN1CCNC[C@H]1c1c(O)cccc1NC(=O)OC(C)(C)C 1952879446 UHUJQOPTCPSFJV-LBPRGKRZSA-N 307.394 2.315 10 10 DECE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(Cc2ccc(N)cc2)C1 1977926399 MLSVAIJOMRWPDH-MFKMUULPSA-N 315.339 2.158 10 10 DECE CC(C)[C@@H](O)CN(C)c1ccc(CN)c(Br)c1 2002365640 OOQILRGNIYOVRS-ZDUSSCGKSA-N 301.228 2.361 10 10 DECE CCCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(F)ccc1O 2170592947 CDAIANDUTIPMLU-WDEREUQCSA-N 303.399 2.395 10 10 DECE CCNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2179910651 JKFKNOBMWICLET-ZDUSSCGKSA-N 316.854 2.073 10 10 DECE CCN[C@]1(CO)C[C@H](Sc2nccs2)CC[C@H]1COC 2183649956 HMHLBVHTXUUEPQ-SCRDCRAPSA-N 316.492 2.391 10 10 DECE COc1cc(Cl)cc(CN[C@H]2C[C@@H]([C@H](F)CO)C2)c1O 2199118127 KGMHABMAPPHDOS-JFUSQASVSA-N 303.761 2.253 10 10 DECE CC[C@H]1CN(c2ccc(CO)c(Br)c2)C[C@@H]1CO 2084892206 DRQYGHLQRZIKIW-CMPLNLGQSA-N 314.223 2.396 10 10 DECE CN1CCc2cc([C@H](N)c3ncc(Br)cn3)ccc21 2106850374 IBAVDJUWKLSULE-ZDUSSCGKSA-N 319.206 2.280 10 10 DECE C[C@@H](c1ccccc1O)N(C)c1nn(C)nc1Br 2220240441 LCWGDFCEKMFMNP-QMMMGPOBSA-N 311.183 2.481 10 10 DECE CN[C@H](C)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2234011470 VORDAKOMUNLYDA-RXMQYKEDSA-N 324.357 2.124 10 10 DECE CC[C@H]1[C@H](O)CCN1c1ccc(CO)cc1Br 2251034732 BHACQHWDPGRLNT-WCQYABFASA-N 300.196 2.291 10 10 DECE CSc1ncc(CNC(=O)c2nc(CN)sc2C)s1 2269186866 AHBFEDDJXNBHLP-UHFFFAOYSA-N 314.461 2.019 10 10 DECE COCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2323767028 GZZNJWWRPUTLEY-UHFFFAOYSA-N 324.383 2.442 10 10 DECE Oc1cc2c(cc1CN1CCC(Cn3cncn3)CC1)CCC2 186912855 MVRNHVRXGFYOMQ-UHFFFAOYSA-N 312.417 2.385 10 10 DECE CC(=O)C(=O)COC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 808549013 OFGKLISAEBJZCK-LLVKDONJSA-N 304.342 2.330 10 10 DECE COc1ccccc1NC[C@H](O)CN(C)C(=O)OC(C)(C)C 819394217 SUTFWVGBDINSPS-LBPRGKRZSA-N 310.394 2.335 10 10 DECE CCOC(=O)c1cnc(SCC(=O)N2CCCC2)s1 388288207 USLANCZKWDSPOK-UHFFFAOYSA-N 300.405 2.034 10 10 DECE CN(C)c1ccc(/C=C\CN2C[C@@H](CO)OC(C)(C)C2)cc1 817412894 QGSIUHKZZLWTFB-OSJSJHBBSA-N 304.434 2.238 10 10 DECE O=[N+]([O-])c1cc([C@H](C2CCCC2)N2CCNCC2)cc(O)c1O 575260108 QVDGBOSPSOGNPJ-HNNXBMFYSA-N 321.377 2.143 10 10 DECE COC1([C@@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)O)CCC1 904048806 BYRFJDUZBWORAJ-NBUZRDOWSA-N 318.417 2.378 10 10 DECE C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1CO 907632011 JJQFUTYGYWPONP-PSASIEDQSA-N 307.371 2.155 10 10 DECE O=C1N=C(N2CCOCC2)S/C1=C\c1cc2cccnc2o1 834412494 HDOIGMGJWDQWJW-XFXZXTDPSA-N 315.354 2.130 10 10 DECE COc1cnc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 846843655 SWGOTEGCMFEBRM-UHFFFAOYSA-N 321.327 2.364 10 10 DECE CN(C)C(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 840147672 UKWFZACYMNBOOA-MRXNPFEDSA-N 317.433 2.117 10 10 DECE CO[C@@](C)(CO)CN[C@H](C)c1cccc(C(F)(F)F)c1O 848556310 UJVFYHRLSOGPOC-NOZJJQNGSA-N 307.312 2.459 10 10 DECE C[C@@H](CN(C)CCCN(C)C)N[C@@H]1CCc2cccc(O)c21 850502177 SNNABYOWUXPYQC-GOEBONIOSA-N 305.466 2.241 10 10 DECE Oc1cccc2c1[C@H](NCCCCCN1CCNCC1)CC2 925842689 BMSAIQJYSOLOBM-MRXNPFEDSA-N 303.450 2.045 10 10 DECE CN(Cc1cccs1)c1ccc(CN[C@H]2CCNC2=O)cc1 850343423 NSXKQSZELNZGJL-INIZCTEOSA-N 315.442 2.363 10 10 DECE C/C=C/CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 858891471 XIAFYSOGOPNFHM-ONEGZZNKSA-N 303.406 2.493 10 10 DECE COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1 850494658 VLHKNMYJLFDGCS-IAQYHMDHSA-N 324.377 2.393 10 10 DECE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)C(C)C 863948647 ILBDWPQPJSOLLL-QWHCGFSZSA-N 306.366 2.374 10 10 DECE COc1ccc(N2CC[C@H](CNC(=O)C34CC(C3)C4)C2)cc1 862035402 SEZMTVUKIXRTAT-WRSVWVKZSA-N 300.402 2.438 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1C1C[C@H]2[C@H](C1)C2(F)F 1118439025 WSNBSRMVMMAZBP-RYUDHWBXSA-N 322.311 2.200 10 10 DECE Cc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)o1 773370358 MNRAQMOCGFHSPR-UHFFFAOYSA-N 324.387 2.246 10 10 DECE Cc1nccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 773212073 BYAISHCOFAQJGP-GFCCVEGCSA-N 313.405 2.411 10 10 DECE CN(C)c1ccc(CN2C[C@@H]3C[C@]3(O)C2)c(C(F)(F)F)c1 895652704 JIPXLYVPABIMKK-FZMZJTMJSA-N 300.324 2.338 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCC2=O)cc1 799039388 FGGSSNGPZRMERY-KRXBUXKQSA-N 324.336 2.486 10 10 DECE CN[C@@H](c1ccccc1O)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 1899609294 OCFQDNXBGIZGHG-GLQYFDAESA-N 324.421 2.317 10 10 DECE O=C(NCc1c(O)cccc1O)c1cc(-c2ccco2)on1 1156881084 OLNKTUUOBDRIBZ-UHFFFAOYSA-N 300.270 2.276 10 10 DECE CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1O 1474523821 JKRFBSSTNYDBJQ-ZDUSSCGKSA-N 317.838 2.445 10 10 DECE CCn1cnnc1CNCc1cccc(Br)c1O 101592767 ZKAIPIDNGHKRIJ-UHFFFAOYSA-N 311.183 2.056 10 10 DECE CC(C)c1nnc(CCC(=O)N2Cc3cccc(O)c3C2)o1 1329667738 QVRYTOALQIHJSE-UHFFFAOYSA-N 301.346 2.374 10 10 DECE C[C@H]1CCC[C@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331939864 YZIHKKMZNHRRPZ-JSGCOSHPSA-N 316.401 2.272 10 10 DECE CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1cccc(O)c1O 1347234791 QRVRRWVYQGAYJU-VXGBXAGGSA-N 321.373 2.082 10 10 DECE C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc2cccnc2c1O 1299726291 RJARIEYBVRIUKJ-LLVKDONJSA-N 310.357 2.159 10 10 DECE CC(C)(C)c1nnc(C(=O)NCc2c(O)cccc2O)s1 1456234810 JQUYNFHKOXEAHI-UHFFFAOYSA-N 307.375 2.177 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCc2ccccc21 1471758112 VXPPKIHPJPJVKQ-VURMDHGXSA-N 324.380 2.290 10 10 DECE CCCC[C@@H](O)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1567467174 CTGQWTGUAWXGRP-TZMCWYRMSA-N 309.406 2.476 10 10 DECE Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccncc1 1587928080 IXOZFRWOTBKXGG-UHFFFAOYSA-N 320.352 2.437 10 10 DECE CC(=O)N1CCc2c(cncc2C(=O)N2CCc3ccccc32)C1 169797012 HWGDQXFEMRESGX-UHFFFAOYSA-N 321.380 2.189 10 10 DECE CC[C@@H](N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865951484 UNHQXSYPNRINEP-CYBMUJFWSA-N 308.337 2.138 10 10 DECE CN(CC1=CCSC1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 1916788271 QNKFOFAFKCEGGO-ZDUSSCGKSA-N 310.806 2.435 10 10 DECE CNC(=O)[C@H](C)N(C)c1ccc([C@H](C)N)c(Br)c1 1916815923 LOMMFMRQPAJMJS-IUCAKERBSA-N 314.227 2.040 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H]3CCSC3)c(Cl)cc21 118705305 UWIJYZSBCYZZBK-AMIZOPFISA-N 311.838 2.494 10 10 DECE Cn1nc(COc2cccnc2N)c(Br)c1Cl 1947495934 JZFPMEFPQIEBGD-UHFFFAOYSA-N 317.574 2.392 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@]21C(=O)N1CC(N=[N+]=[N-])C1 1985093956 HXCWKWJXPLOBNO-MEBBXXQBSA-N 321.381 2.297 10 10 DECE CNC(=O)CCN(C)c1ccc([C@@H](C)N)cc1Br 723189795 SIHZFGHSMMVVAE-SECBINFHSA-N 314.227 2.041 10 10 DECE CCN(c1ccc([C@H](C)O)cc1F)[C@@H](C)CS(C)(=O)=O 2170418630 FIFGUTOYOPSLJG-QWRGUYRKSA-N 303.399 2.138 10 10 DECE C[C@H](N)c1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(F)c1 2170636929 XHDGHQHXBNGIIW-DCAQKATOSA-N 302.415 2.103 10 10 DECE CC(C)(C)OC(=O)N1CCN(c2ccc(OCCO)cc2)CC1 2081067003 SMNQHVYRHVDBFS-UHFFFAOYSA-N 322.405 2.115 10 10 DECE NCc1ccc(N2CC[C@@H](N3CC=CC3)C2)cc1Br 2114066316 YTCDDFZOMSJPHA-CQSZACIVSA-N 322.250 2.358 10 10 DECE CC(C)S(=O)(=O)C[C@@H](C)NCc1c(O)cccc1Cl 2114185414 HDIVAZUEIQOHJU-SNVBAGLBSA-N 305.827 2.347 10 10 DECE Nc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1O 2236146309 DVGKUTOIWJJEFE-UHFFFAOYSA-N 300.286 2.053 10 10 DECE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cc(Cl)ccc1O 2279352230 KYQCMVQDPDRIBV-GWCFXTLKSA-N 317.838 2.443 10 10 DECE NCc1ccc(N2CCOC[C@@H](F)C2)c(Br)c1 2299902557 VMJRASXICONBHR-JTQLQIEISA-N 303.175 2.083 10 10 DECE CCN[C@](CSc1nccs1)(C(=O)O)[C@@H]1CC1(F)F 2352307611 ZFMMJCQDCWCMBF-XVKPBYJWSA-N 308.375 2.323 10 10 DECE Cc1ccc(CN2C(=O)C3CC(C3)C2=O)c(O)c1Br 2352694129 RITRBGVZWZSOCM-UHFFFAOYSA-N 324.174 2.358 10 10 DECE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1F)C(=O)C2=O 101104556 XJZJTGFQONJENV-FVMDXXJSSA-N 307.296 2.478 10 10 DECE CC(=O)Nc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1O 59842195 XEMRLDZGPKVQOQ-LLVKDONJSA-N 324.333 2.001 10 10 DECE CN1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3O)CC[C@@H]21 178115010 YJKAULRQSHQECK-DOMZBBRYSA-N 305.378 2.217 10 10 DECE C[C@H]1CC(C)(C)N2C(=O)C(=O)c3c(CN(C)C)c(O)cc1c32 72415021 FRHGAWDSCIHOBC-VIFPVBQESA-N 302.374 2.269 10 10 DECE CC[C@@H](C)CN(CC)S(=O)(=O)CCOc1ccc(N)cc1 93250340 LZNAAELISFKGPC-CYBMUJFWSA-N 314.451 2.345 10 10 DECE Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)c(O)c1O 530022594 HVFUQPCYRGULRK-CYBMUJFWSA-N 304.390 2.153 10 10 DECE C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[S@@](=O)C1 294799614 VVSINTNZVWENJS-AYLIAGHASA-N 305.802 2.385 10 10 DECE Oc1ccc(Cl)cc1CN1CCC(N2CC[C@H](O)C2)CC1 827701023 ZMKYOKGYURGEEU-HNNXBMFYSA-N 310.825 2.077 10 10 DECE CN(C)c1ccc(/C=C/CN2CCOC[C@]23CCOC3)cc1 835052089 NTJVSLNZGXACMP-OAJJDEHYSA-N 302.418 2.257 10 10 DECE C[C@@H]1CN(C(=N)NCc2cc(Cl)cc(Cl)c2O)CCO1 849028663 UGQAUUPZQCLJTD-MRVPVSSYSA-N 318.204 2.444 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCNC[C@@H]1C 841986045 LIBNSNUHISLDNS-DZGCQCFKSA-N 305.422 2.312 10 10 DECE O=C(NC[C@]1(CO)CCc2ccccc21)c1cc(O)cs1 846658327 BZYBZTQQPNFLDE-INIZCTEOSA-N 303.383 2.060 10 10 DECE Cn1nccc1[C@@H]1COCCN1Cc1c(O)ccc2ccncc12 844755630 KYESCGXKDXOLTK-KRWDZBQOSA-N 324.384 2.247 10 10 DECE Cc1cc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 840914477 UJFMYBIUYYBGEL-HOTGVXAUSA-N 324.852 2.385 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]3C)C2)cc1 852330053 AYAUBWGRJAYHDX-DVOMOZLQSA-N 303.406 2.372 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(F)F)C2)cc1 852357154 CLUYAPFWWXAGAB-LLVKDONJSA-N 313.348 2.228 10 10 DECE CCc1nn(C)c(Cl)c1C(=O)NCc1c(O)cccc1F 928704525 AVVTUPKTNYPXNE-UHFFFAOYSA-N 311.744 2.411 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2CC[C@@H](C2)C1 761081845 NZVBRKAMGKEBBG-IRXDYDNUSA-N 315.461 2.443 10 10 DECE C[C@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 765283189 ZVLAONIAFSUDOZ-HOCLYGCPSA-N 321.440 2.407 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2cccc(CO)c2)c1 862758284 VQVWDCRAKRZICE-ZDUSSCGKSA-N 315.369 2.277 10 10 DECE CN1CCCc2cc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)ccc21 779883614 GCUVNPJKZUTOJR-UAGQMJEPSA-N 300.402 2.110 10 10 DECE C[C@H](CO)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 897238707 GQZPUUYKIVQSMJ-VIFPVBQESA-N 309.387 2.451 10 10 DECE CCOC(=O)[C@@]1(F)CN(C(=O)c2cc(O)cs2)C[C@@H]1CC 899637599 RQPKATGBYCLYOO-LKFCYVNXSA-N 315.366 2.207 10 10 DECE CN(CCOCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1137521692 UIWZQTFVLLKHCU-UHFFFAOYSA-N 315.369 2.316 10 10 DECE Nc1ccc(CS(=O)(=O)N(CC(F)F)CC2CC2)cc1 688228951 ZDFZQZOXIUNNPJ-UHFFFAOYSA-N 304.362 2.076 10 10 DECE C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@H](C)CN1CCO 1261376500 PZZCEICWLCIAQO-IAGOWNOFSA-N 317.477 2.174 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCC(CCO)CC2)cc1 1447272165 DSXUNAYTUMSXFU-UHFFFAOYSA-N 304.350 2.084 10 10 DECE C[C@@H]1CCCc2ncc(C(=O)NCc3c(O)cccc3O)n21 1456319000 MXCYSBGYNGBIMH-SNVBAGLBSA-N 301.346 2.122 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CO[C@H]1c1ccccc1 1603102639 DMFPMNCCHRDALA-QEWICSOSSA-N 311.337 2.367 10 10 DECE C[C@H](NC(=O)NCc1ccc2nonc2c1)c1ccccc1O 1479522678 GNXWQIOWVUWQER-JTQLQIEISA-N 312.329 2.489 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCOC2(CCC2)C1 1628000124 SZCMAHGEXVXAGG-ZDUSSCGKSA-N 305.374 2.106 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cccc(CO)c1 1639621682 OZNUSUOHCKAKSV-UHFFFAOYSA-N 308.337 2.363 10 10 DECE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)SC)C2)cc1C 1566782489 ACUWFNSNFMSJKA-QEJZJMRPSA-N 322.474 2.492 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1cc2oc(O)nc2cc1F 1640209721 JKQYUUHKXFWFSV-UHFFFAOYSA-N 318.260 2.265 10 10 DECE COc1cccc(CNC(=O)c2cc(C=O)ccc2F)c1O 1595800317 SWYZJTHLAOQSEL-UHFFFAOYSA-N 303.289 2.282 10 10 DECE CCS(=O)(=O)CCN(C)[C@H](C)c1ccc(Cl)cc1O 2138558473 XAJLIRNGKGZPKP-SNVBAGLBSA-N 305.827 2.473 10 10 DECE CC(=O)C(=O)[C@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 1939534900 KZQZZBIPONBDIV-LJQANCHMSA-N 315.413 2.484 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1c(O)cc(O)cc1O 1952075647 FIFRRHPVXOOFJK-LLVKDONJSA-N 323.345 2.445 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985096844 XEAQJPPDXYIDCL-USWWRNFRSA-N 321.381 2.153 10 10 DECE C[C@H](N[C@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O 2146117647 KTSYRAVKRLNADS-OUAUKWLOSA-N 301.383 2.005 10 10 DECE O=C1Nc2cc(N3CCS[C@@H]4CC[C@H]43)c(Cl)cc2[C@H]1O 2152206531 MALIGRNZSXKSHO-RAIGVLPGSA-N 310.806 2.410 10 10 DECE C[C@@H](Cc1ccsc1)NS(=O)(=O)Cc1ccc(N)cc1 49151568 OLRYPOXEWMPFNV-NSHDSACASA-N 310.444 2.381 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)cc1Br 2029642855 COCXICGMVPQOPC-BHDSKKPTSA-N 311.223 2.287 10 10 DECE C[C@@H](OC1CCCCC1)C(=O)NCc1c(O)cc(O)cc1O 2063882723 ACWBGBZMPZQOAF-SNVBAGLBSA-N 309.362 2.157 10 10 DECE CCN([C@H](C)CS(C)(=O)=O)[C@H](C)c1cc(F)ccc1O 2170424571 JWMOWRQRWGIXPZ-GHMZBOCLSA-N 303.399 2.347 10 10 DECE NCc1cc(F)c(N2CCS[C@H]3COCC[C@@H]32)c(F)c1 2170503496 JOLWCZQZIICFOH-STQMWFEESA-N 300.374 2.134 10 10 DECE CN1CC(N(C)c2ccc(CNC3CC3)c(Br)c2)C1 2089240108 WCBMKQAKCAQUCK-UHFFFAOYSA-N 324.266 2.451 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2219149828 OSTNJHRLRPKBDF-ATZCPNFKSA-N 318.186 2.412 10 10 DECE Cc1cccc(O)c1CNCCCS(=O)(=O)C(F)(F)F 2286449605 PBLFABRSSVDCOA-UHFFFAOYSA-N 311.325 2.115 10 10 DECE C[C@H](NC=C1C(=O)NC(=O)N(C(C)(C)C)C1=O)c1ccccc1 2296937076 LLHBQQYQBGAJLK-NSHDSACASA-N 315.373 2.098 10 10 DECE CC(=O)CC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327788968 HVHJPXNJCDSBFX-UHFFFAOYSA-N 314.179 2.401 10 10 DECE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)cc1F 108996902 AFXNKVIHASZOOS-CHWSQXEVSA-N 322.380 2.097 10 10 DECE Cc1ccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c(O)c1O 179523949 OXPXVNUELNPVJV-CQSZACIVSA-N 318.417 2.401 10 10 DECE CCOc1cccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 186396998 KVTPDLIIJHYGKK-LLVKDONJSA-N 316.357 2.253 10 10 DECE COc1cc(N(C)CC(=O)N[C@H](C)C(C)C)cc(OC)c1OC 125694829 CZKIMBLMVTZXHN-GFCCVEGCSA-N 324.421 2.309 10 10 DECE CN(C[C@H]1CCCCO1)C(=O)NCc1ccc(N(C)C)cc1 128050241 BCZAOWYLGXQNFR-MRXNPFEDSA-N 305.422 2.463 10 10 DECE CC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1C[C@@H](C)O 120716060 ONIYTRFLTIMAJY-IUODEOHRSA-N 312.841 2.323 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2ccnc2s1 188845247 WMYKXHJTYLLVMP-VIFPVBQESA-N 317.370 2.168 10 10 DECE CN(CCc1cccs1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131408898 AKHDZZNEAGFFSW-OAHLLOKOSA-N 301.415 2.403 10 10 DECE COc1ccc(O[C@H](C)C(=O)NCCc2ccc(N)cc2)cc1 237308369 DWGPCYVAMMOJAK-CYBMUJFWSA-N 314.385 2.404 10 10 DECE C[C@@H]1CN(C)CCCN1c1ccc(CN)c(Br)c1 235423141 NHDHHTVUBCKDTD-LLVKDONJSA-N 312.255 2.438 10 10 DECE COc1cccc(CNC(=O)[C@H]2C[C@]2(C)Br)c1O 528860787 LXJOIIQUHOIEGV-RNCFNFMXSA-N 314.179 2.191 10 10 DECE C[C@H]1CC[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)CC1 253128164 MVTKYQLVWMPCNL-MQMHXKEQSA-N 312.435 2.146 10 10 DECE CC(C)(C)C(=O)NCCNCc1cc(Cl)c(F)cc1O 293529007 DTQYRMDCYRJWRD-UHFFFAOYSA-N 302.777 2.437 10 10 DECE C[C@H](NCc1cccc(Cl)c1O)C1(S(C)(=O)=O)CC1 809704334 ZPYHFPWJOKEVJX-VIFPVBQESA-N 303.811 2.101 10 10 DECE CC(C)(CO)[C@H](NCc1ccc(N2CCOCC2)cc1)C1CC1 811519452 XRSMKBBIBBLHTJ-GOSISDBHSA-N 318.461 2.410 10 10 DECE COC[C@@]1(C(=O)OC)CCCN1Cc1cccc(Cl)c1O 827487925 AFXZWOJWRMHAIE-OAHLLOKOSA-N 313.781 2.200 10 10 DECE COc1cccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O 825124251 KXSWGNWMEWRGQW-GXFFZTMASA-N 305.296 2.146 10 10 DECE Cc1nc2n(n1)C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)CC2 835035325 AQBVOBUUQVEQHJ-AWFCHZOYSA-N 311.433 2.270 10 10 DECE C[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(N(C)C)cc1 831038024 BNHQRDNZNSWCDB-FPMFFAJLSA-N 319.405 2.366 10 10 DECE Cc1cc(N(C)C)ccc1CN1C(=O)N[C@](C)(CCF)C1=O 849356992 XDTAEFYUNIFZQI-MRXNPFEDSA-N 307.369 2.231 10 10 DECE COCC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 847420592 ADWQXYLBHSQMMA-UHFFFAOYSA-N 305.422 2.321 10 10 DECE CO[C@@]1(CNC(=O)NCc2cc(C)ccc2O)CCSC1 925385718 SWDSOVXDEIRFRL-OAHLLOKOSA-N 310.419 2.022 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)C3[C@@H]4CCC[C@@H]34)C2)cc1 855229942 CYOBCTKLPJZZMF-APHBMKBZSA-N 300.402 2.436 10 10 DECE COc1ccc(N2CC[C@@H](NCc3cn(C(C)C)nn3)C2)cc1 850347383 RNNUDFKLVJNBOP-CQSZACIVSA-N 315.421 2.236 10 10 DECE CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1c(O)cccc1F 920126563 SWQSXVPFPBSMMB-FZZIBODNSA-N 308.353 2.144 10 10 DECE COc1cccc([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O 858603254 VGZLKCDSLLWAHG-SMDDNHRTSA-N 304.390 2.205 10 10 DECE CN(C)c1ccc(CNC[C@@H]2CCC(=O)N2)c(C(F)(F)F)c1 850389082 RZKDYXTUSWYCQS-NSHDSACASA-N 315.339 2.140 10 10 DECE CCN(CC)C1CN(c2ccc(CN)cc2Br)C1 698022134 WPPQQOXEQODDBN-UHFFFAOYSA-N 312.255 2.438 10 10 DECE C[C@@H]1COCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 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CC[C@@]1(C)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1335570956 AOLACTGRTLYNLP-SFHVURJKSA-N 316.401 2.273 10 10 DECE CNCc1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917095875 KFBLWJCICJSVJA-CYBMUJFWSA-N 317.202 2.079 10 10 DECE COc1ccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CC2)cc1 1292873008 TYIBCWICPKNVMU-UHFFFAOYSA-N 313.353 2.454 10 10 DECE C=CC(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 1465955577 ZDYKPOCIIXFHGT-UHFFFAOYSA-N 312.325 2.152 10 10 DECE COc1ccc(CNC(=O)c2cccc(O)c2O)c(C)c1OC 1635538520 HEMAWDMBZBUHIN-UHFFFAOYSA-N 317.341 2.353 10 10 DECE COc1cccc([C@@H](OC)C(=O)NCc2ccccc2O)c1 1631540607 YHFOOQWRCUJFNY-MRXNPFEDSA-N 301.342 2.405 10 10 DECE CC1(C)CCCN(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])C1 1912189082 UEWBSQNDZWYYDM-NSHDSACASA-N 301.416 2.128 10 10 DECE COc1ccc(OCCC(=O)NCc2c(O)cccc2O)cc1 1647178306 NVBPLYFSIMNKRD-UHFFFAOYSA-N 317.341 2.192 10 10 DECE CN1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 1651101854 YPULNSVSWOQXOP-BPNCWPANSA-N 315.377 2.062 10 10 DECE COc1ccc(Br)c(CN[C@@H]2COC[C@H]2C)c1O 1965941201 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COc1cccc(CNC[C@H]2c3ccccc3C(=O)N2C)c1O 527805078 HUPWQZYMZTXYCT-HNNXBMFYSA-N 312.369 2.317 10 10 DECE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[C@@H]2C(F)(F)F)C1 2164675987 GHSUSMZXBJLHLJ-CIUDSAMLSA-N 312.317 2.147 10 10 DECE C[C@@H]1Oc2ccc(O)cc2N(OCc2ccc(N)cc2)C1=O 821297439 NLLXGBOSEJWZLQ-JTQLQIEISA-N 300.314 2.220 10 10 DECE CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1F 906452921 ANDVCDDOOMEERI-CJNGLKHVSA-N 306.381 2.323 10 10 DECE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)N1CCCC1 835053327 VPKLWFXJEHVXQL-XHPSBEMXSA-N 301.434 2.366 10 10 DECE CC(C)(C)[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1O 841956611 DCTHZWOENRVLQY-JKSUJKDBSA-N 319.449 2.250 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCCOC1 840290195 ARCFHOHAXOCRMC-ZBFHGGJFSA-N 319.449 2.470 10 10 DECE CN(C)c1ccc(CNC(=O)CSCc2cnn(C)c2)cc1 845332529 BVTPLPVJCSFNKV-UHFFFAOYSA-N 318.446 2.036 10 10 DECE CC(=O)C(=O)COC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 840221003 JKGFXPAJCNJDPB-OAHLLOKOSA-N 320.385 2.499 10 10 DECE CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1 844776343 HUUHTTDCUJVCCR-CZUORRHYSA-N 307.438 2.349 10 10 DECE CCO[C@@]1(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 858257469 MGXRDWIGEMFARZ-SJORKVTESA-N 308.397 2.319 10 10 DECE Cc1cccc(COCC(=O)NCCc2ccc(O)c(O)c2)c1 857159816 WYFOPYUVJSHVAP-UHFFFAOYSA-N 315.369 2.282 10 10 DECE Nc1ccc(CCNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1 851662940 OKOBKBMAOSOQGN-KRWDZBQOSA-N 310.401 2.380 10 10 DECE NC1(CNCc2cc(Cl)cc(Cl)c2O)CCOCC1 863481413 HDMDUCVUGHLHHT-UHFFFAOYSA-N 305.205 2.297 10 10 DECE Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccccc1N 767769148 MKTCKDGXMFAHHA-UHFFFAOYSA-N 319.430 2.122 10 10 DECE C[C@@H](N[C@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1 863540210 CITGBLJWXLXWKX-QAPCUYQASA-N 315.461 2.458 10 10 DECE Oc1cc2c(cc1CN1CCC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 768461862 GQTSOKSVXDHWBT-DCGLDWPTSA-N 319.401 2.067 10 10 DECE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1cccc(O)c1O 871476078 ASMLUVTXILQEKK-GFCCVEGCSA-N 307.346 2.116 10 10 DECE CN(C)c1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 877693387 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CCc1nc(O)c(C(=O)NCc2c(O)cccc2F)cc1C 1635366753 KOXKDDIJSDMKCE-UHFFFAOYSA-N 304.321 2.433 10 10 DECE CN(CCNC/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 1493810129 NRILSRUWWICUJH-POHYYUKSSA-N 323.784 2.263 10 10 DECE CC[C@@H](F)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1732984846 GJUCLMQRFUBARN-ZYHUDNBSSA-N 323.372 2.305 10 10 DECE O=C(NCc1c(O)cccc1O)[C@H]1CCCN1c1ccccc1 1645363096 MLHZUDVTWSLRDJ-OAHLLOKOSA-N 312.369 2.383 10 10 DECE O=C(NCc1c(O)cccc1O)c1cccc(OCC(F)F)n1 1647270138 NBHHOAZLRRUPGZ-UHFFFAOYSA-N 324.283 2.067 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)CC(C)(C)O)cc1C 1732688764 LBQNZFPQJHNGAK-AWEZNQCLSA-N 322.449 2.149 10 10 DECE COc1ccc(CNCCN(C)C(=O)C2=COCCC2)cc1C 1663846948 OODNRXZAEVDRFP-UHFFFAOYSA-N 318.417 2.246 10 10 DECE CCOc1cccc(CN2CCC(C(=O)N(C)C)CC2)c1O 162598584 OERRLYKUABWWBH-UHFFFAOYSA-N 306.406 2.091 10 10 DECE Oc1cc2c(cc1CN1CCN(c3cccnn3)CC1)CCCC2 160096658 KHGCZXCRFGGQGH-UHFFFAOYSA-N 324.428 2.383 10 10 DECE CN[C@@H](c1ccccc1O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 1920742215 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CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c(O)c1 249630535 VCGOGMXCLIBUGI-AXRYGOTBSA-N 303.402 2.382 10 10 DECE CN(C)c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)cc1F 374270995 NFMSFHKIFMZCLZ-WMLDXEAASA-N 308.397 2.319 10 10 DECE CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 373177926 RINNASHOIIUFRE-DOTOQJQBSA-N 301.434 2.243 10 10 DECE CCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OC)on1 280834851 UEGSJIOJPIYPLL-UHFFFAOYSA-N 318.329 2.219 10 10 DECE COC(=O)[C@H](CF)NCc1cc(C)cc(Br)c1O 809778292 OBVVTJCYOUIKCO-JTQLQIEISA-N 320.158 2.064 10 10 DECE CC(=O)C(=O)COC(=O)c1cnc(OCC(C)C)c(Cl)c1 808536408 RPCLGMNVACXCSG-UHFFFAOYSA-N 313.737 2.085 10 10 DECE CC(C)c1noc(CCCNC(=O)c2c(F)ccc(O)c2O)n1 825568061 KJJMBLQRBCBNSB-UHFFFAOYSA-N 323.324 2.106 10 10 DECE CCc1cnccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832266416 FRPMTPGUYSKAAS-KRWDZBQOSA-N 312.417 2.140 10 10 DECE CN(C)c1ccc(/C=C/CN2CCN(c3cccnn3)CC2)cc1 835027783 OBKSJIUJAQWWAS-SNAWJCMRSA-N 323.444 2.378 10 10 DECE Cc1cc(C)c(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 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Cc1cccc(C)c1NCC(=O)NCc1c(O)cccc1O 1635846928 DHWFUFGIDOKCIZ-UHFFFAOYSA-N 300.358 2.443 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1ccnc(OC(F)F)c1 1636021966 AOIWEAGYCCLUQD-UHFFFAOYSA-N 324.283 2.067 10 10 DECE c1cc(N2CCCC2)ccc1CNCCOC[C@@H]1CCOC1 1560312507 KCVVDQUSNIRRBN-QGZVFWFLSA-N 304.434 2.430 10 10 DECE COC(=O)c1ccccc1CC(=O)NCc1c(O)cccc1F 1646033740 CUVTXHIXVKQQIB-UHFFFAOYSA-N 317.316 2.177 10 10 DECE COCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1733965277 HTHCGGLOWIVBEC-UONOGXRCSA-N 308.422 2.023 10 10 DECE CC[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 1645356176 VUDWDEPGEPUHRS-HOCLYGCPSA-N 303.450 2.489 10 10 DECE Oc1cccc(Br)c1CNCCN1C[C@@H]2C[C@H]2C1 1965994701 VHBMMYQKHRZMFU-QWRGUYRKSA-N 311.223 2.196 10 10 DECE CCOC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 169813109 CQBDAKOEFMMEDG-CQSZACIVSA-N 302.378 2.322 10 10 DECE C[C@@H](NCC1(C)COC1)c1ccc(N2CCC(O)CC2)cc1 164359564 ZJIOXLUKOVZMAJ-CQSZACIVSA-N 304.434 2.335 10 10 DECE CCOC(=O)[C@H]1CCN[C@@H]1c1cccc(Br)c1O 1952859467 AHXGTSLFHJUSIG-GXSJLCMTSA-N 314.179 2.368 10 10 DECE Nc1ccc(NC(=O)CN2CC(OCc3ccccc3)C2)cc1 1977125049 QNYHLNGSDVLUEH-UHFFFAOYSA-N 311.385 2.108 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 1985102546 IHOLYIYKXWSAGE-GFCCVEGCSA-N 321.381 2.463 10 10 DECE C[C@@H](NCc1cc(Cl)ccc1O)[C@H]1CCCS(=O)(=O)C1 2146099503 FEFQXMRAFFTLET-MNOVXSKESA-N 317.838 2.349 10 10 DECE Oc1cccc(Br)c1CN1CCC[C@H]2CNC[C@@H]21 706871559 IXQIWDUMVCMDPU-GWCFXTLKSA-N 311.223 2.339 10 10 DECE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Cl)c1 2170262747 UKFATFCTLUSTBR-GHMZBOCLSA-N 316.854 2.071 10 10 DECE CN(Cc1cc(Cl)ns1)C(=O)c1cc(O)c(O)c(O)c1 2188911497 CORRYIPJVTYWES-UHFFFAOYSA-N 314.750 2.186 10 10 DECE C[C@@H](N)c1cc(F)c(N2CC(C)(C[S@](C)=O)C2)c(F)c1 2194709418 MSBCQOIHCPHALT-YBYGRFCBSA-N 302.390 2.189 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2C[C@H]3O)c(Br)c1 2052053818 OIDSCTVXTPXCPG-GCDPNZCJSA-N 311.223 2.428 10 10 DECE CN[C@H](C)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2052740639 OIUHHICLYRKYAG-SECBINFHSA-N 317.202 2.250 10 10 DECE Nc1cccc(Br)c1N[C@H]1CC(=O)N2CCC[C@H]12 2068222440 BEFKREWRPJSREV-WDEREUQCSA-N 310.195 2.207 10 10 DECE COCC(CNCc1c(O)cccc1Br)COC 2078676239 CWHYBBIKFUKDEX-UHFFFAOYSA-N 318.211 2.153 10 10 DECE CSc1ncc(CNS(=O)(=O)c2ccccc2)s1 2257135273 OPNAPQUUKOCTOW-UHFFFAOYSA-N 300.430 2.344 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)cc1Br 2311861961 DLDHCOGAPNLLQQ-COPCRZHJSA-N 312.207 2.319 10 10 DECE CCC(CC)N(CCO)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92751069 NMKPTHIFEHPJCD-CQSZACIVSA-N 311.813 2.279 10 10 DECE CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(O)c1O 382713172 IMCPVJGXAGESPT-VXGBXAGGSA-N 308.378 2.020 10 10 DECE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1N 2164638563 XYUOVDYIPINHHN-VXNVDRBHSA-N 306.334 2.007 10 10 DECE CC1(C)[C@H](O)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 812888604 CQJGIPGMYHPBJX-MRXNPFEDSA-N 315.417 2.118 10 10 DECE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]2CCC[C@@H]21 929012162 XJWLTKHSAJLXJT-KWCYVHTRSA-N 300.358 2.345 10 10 DECE CCS(=O)(=O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CC1 850397825 LJJJCUPLICPCND-AATRIKPKSA-N 322.474 2.323 10 10 DECE CCN(CC)c1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 922728153 LOCRDISUXPOODC-NJAFHUGGSA-N 304.434 2.426 10 10 DECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(C(F)F)CC1 856209411 LXNBRCNQMRMGON-UHFFFAOYSA-N 324.371 2.309 10 10 DECE COc1ccc(CNc2ccc(N3CCCC3)nn2)c(O)c1 865749261 BLRYRKCHGOKOPI-UHFFFAOYSA-N 300.362 2.403 10 10 DECE COc1ccc(N2CC[C@H](NCc3ncnn3C(C)C)C2)cc1 865621997 ILSILBRXPTVIAM-AWEZNQCLSA-N 315.421 2.236 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCNC1=O 769994784 CCXSVOFPEPNZBP-GFCCVEGCSA-N 304.371 2.201 10 10 DECE CO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(F)c2O)n1 894083172 BLIIAIDIZLGQJJ-MRVPVSSYSA-N 313.304 2.393 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 1151520237 PFVZJOFWLSQGOL-ZOCIIQOWSA-N 309.365 2.485 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](C(=O)NCCCN=[N+]=[N-])[C@@H]21 1964879294 CROZHWZSKJJNDO-GRYCIOLGSA-N 323.397 2.449 10 10 DECE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)CC1CCCC1 1448240265 AEARJLYYXGOQPA-IQCBXXCUSA-N 305.374 2.168 10 10 DECE CCN(CC)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1442670304 XJKUKKVSOJQTQD-UHFFFAOYSA-N 320.433 2.221 10 10 DECE O=C1CN(C(=O)/C=C/c2cccnc2)c2cc(F)c(F)cc2N1 1538298443 WTHDDQGYNZIWJC-ONEGZZNKSA-N 315.279 2.358 10 10 DECE O=C(c1cccc(O)c1O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 1628485579 OXAXEHMTZDORJT-NEPJUHHUSA-N 323.414 2.225 10 10 DECE CC(C)(C)OC(=O)C1(C(=O)NCc2cc(O)ccc2O)CCC1 1637125659 ASDSKHJSFWAJEW-UHFFFAOYSA-N 321.373 2.226 10 10 DECE Cn1c(C(=O)NCc2c(O)ccc3ccccc23)cccc1=O 1645440571 JUEAOQOGGQKZIZ-UHFFFAOYSA-N 308.337 2.174 10 10 DECE CC[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C 1645356177 VUDWDEPGEPUHRS-ZBFHGGJFSA-N 303.450 2.489 10 10 DECE CO[C@H](CNCc1c(C)cccc1O)CNC(=O)OC(C)(C)C 1901546614 NWIKPCUYZIJYAA-CYBMUJFWSA-N 324.421 2.330 10 10 DECE CSCC(=O)NCc1ccc(C)c(Br)c1O 1905179005 CALWPWYJBCFFLU-UHFFFAOYSA-N 304.209 2.442 10 10 DECE NCc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1 1948391310 HRHMNAUYMSEQSL-WOJBJXKFSA-N 323.440 2.235 10 10 DECE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H](O)C1CC1 1951422651 GWNKMWPXFJLWCQ-DOMZBBRYSA-N 323.389 2.305 10 10 DECE COc1ccc(O)c(CN[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1 1973221950 KURPRKZQXIXEIO-BXUZGUMPSA-N 322.405 2.404 10 10 DECE COc1cc(Cl)cc(CNC[C@]2(F)C[C@@H](CO)C2)c1O 1974382712 DOTCTEXMVMIEDE-DEZZCRIOSA-N 303.761 2.254 10 10 DECE COC[C@@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 1994456851 RLOACZFFUWYDMU-CQSZACIVSA-N 324.421 2.330 10 10 DECE Cc1cc(NS(=O)(=O)c2csc(CO)c2)c(C)cc1O 2157799166 KFMDKSRCUBVRSJ-UHFFFAOYSA-N 313.400 2.364 10 10 DECE CC(C)N(CCCCS(=O)(=O)O)c1ccc(CN)cc1 689031591 CYTFUGICCYBJBD-UHFFFAOYSA-N 300.424 2.028 10 10 DECE CC(C)[C@H](C(=O)Nc1ccc(O)c(O)c1)N1C[C@H](C)O[C@H](C)C1 2062083902 ACDGABJWSIIRPD-BFQNTYOBSA-N 322.405 2.170 10 10 DECE NCc1ccc(N2C[C@@H]3C[C@H](C[C@H]3O)C2)c(Br)c1 2045146619 JAKYVUCLQZXCQR-UHIISALHSA-N 311.223 2.115 10 10 DECE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@]3(O)C2)cc1Br 2051366204 KPTDFDFESFUACB-RBZYPMLTSA-N 311.223 2.430 10 10 DECE C[C@](O)(c1ccc(Br)cn1)[C@@H](N)c1ccccc1O 2091858421 JFFXDODFGLGMGD-KBPBESRZSA-N 323.190 2.457 10 10 DECE CC(C)NCc1cnc(SC[C@H]2CN(C)CCO2)s1 2099116079 WDMNWTUVGAOVNE-LLVKDONJSA-N 301.481 2.064 10 10 DECE CNCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2219179762 IYVPLXVYGSFCKI-CMPLNLGQSA-N 317.202 2.078 10 10 DECE CC[C@@H](NCCS(=O)(=O)C(F)(F)F)c1ccccc1O 2232494636 HIVAEVKLSVIZCK-SNVBAGLBSA-N 311.325 2.368 10 10 DECE CSc1ncc(CNC(=O)c2cc(C(=O)O)oc2C)s1 2284555882 ILISISGNMJCXEY-UHFFFAOYSA-N 312.372 2.395 10 10 DECE C[C@@H](Oc1ccccc1C=C1SC(=S)N(C)C1=O)C(=O)O 2294872136 WIXYFPXNXFIXIG-MRVPVSSYSA-N 323.395 2.370 10 10 DECE Cc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)o1 2297342016 PWEZDEWIFUSBBL-UHFFFAOYSA-N 302.330 2.383 10 10 DECE Cc1ccc(CN(C)C2=NC[C@H](C)N2)c(O)c1Br 2327608315 VGTHIYBEKTWQNS-VIFPVBQESA-N 312.211 2.243 10 10 DECE Cc1ccc(CNCc2ccc(O)nn2)c(O)c1Br 2352679671 MMZACALOPNKZLH-UHFFFAOYSA-N 324.178 2.249 10 10 DECE COc1ccc(C2(CC(=O)O)C(=O)c3ccccc3C2=O)cc1 3172047 JEJPONQFBBXSRD-UHFFFAOYSA-N 310.305 2.487 10 10 DECE CCN[C@H]1C(=O)Nc2cc(N3CCO[C@H](C)C3)c(Cl)cc21 118704776 QDFIXBDAPLUXHI-YMTOWFKASA-N 309.797 2.168 10 10 DECE COc1cccc(CNC(=O)N[C@H](C)c2ccncc2)c1O 73487700 IZWUAIGPFDSTNB-LLVKDONJSA-N 301.346 2.356 10 10 DECE Cc1cc(C(=O)N2CCC[C@H]2C(N)=O)c(C)n1-c1ccccc1 73808416 IBCQFJANIILZRM-INIZCTEOSA-N 311.385 2.184 10 10 DECE O=C(/C=C/c1ccncn1)NCCCSc1nccs1 181972104 XWVNNIYFYRXDHS-NSCUHMNNSA-N 306.416 2.245 10 10 DECE O=C(CCSc1nccs1)NC(=O)NCc1ccco1 48875565 VRAGXHUYQBTVMQ-UHFFFAOYSA-N 311.388 2.244 10 10 DECE C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)O1 2364100551 JZMWLXAYCLVOLJ-WOPDTQHZSA-N 302.400 2.049 10 10 DECE C[C@@H](O)[C@H]1CCN(c2cc(Br)c(CN)cc2F)C1 385029947 GJBCUEIEBZUAPF-BDAKNGLRSA-N 317.202 2.254 10 10 DECE N[C@@H](c1cc(Br)ccc1O)[C@H](O)C(F)(F)F 95740987 FUQZYBZIPOVUAY-YUMQZZPRSA-N 300.074 2.078 10 10 DECE COCCN(CC(=O)OC)Cc1c(O)ccc2ccccc12 93416187 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10 10 DECE C[C@@H]1C[C@@H](NCCCc2ncn(C)n2)c2c(O)ccc(F)c21 842899979 CVIROGVPNHHPML-ZYHUDNBSSA-N 304.369 2.431 10 10 DECE Cc1ccc(O)c(CNS(=O)(=O)c2cnn(C3CCC3)c2)c1 918004219 PPHYPOROIZTINC-UHFFFAOYSA-N 321.402 2.101 10 10 DECE CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H](CO)C3)cc2)CC1 840978329 NIRYUWRLJPCVEC-QZTJIDSGSA-N 317.477 2.079 10 10 DECE COc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC 853835070 RTFGDVLOIDQHAR-UWVGGRQHSA-N 310.350 2.065 10 10 DECE CCC(CC)(CO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855223099 DYNVVDCTDPHOSB-AWEZNQCLSA-N 320.433 2.189 10 10 DECE CCOC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1 854198029 BNVJVIUGWSFVPT-UHFFFAOYSA-N 318.417 2.303 10 10 DECE COc1ccc(O)c(CN[C@](C)(CO)c2cccc(O)c2)c1 862433597 YPOCWLWURORLEM-QGZVFWFLSA-N 303.358 2.104 10 10 DECE CN1CCN(c2ccc(CNCCOC(C)(C)C)cc2)CC1 771819570 SXMUGDKGLSOKNK-UHFFFAOYSA-N 305.466 2.343 10 10 DECE C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1ccc(O)c(O)c1 1137443630 XAHXRELLDZLZJG-MGPLVRAMSA-N 319.332 2.018 10 10 DECE CN1C(=O)/C(=C\c2cncnc2)c2cc(Br)cnc21 794956204 FVXJSDWTGWGCJH-FUQNDXKWSA-N 317.146 2.151 10 10 DECE CC(C)(C)[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1153373483 GUIAZXLNNTVRIM-DOMZBBRYSA-N 307.390 2.350 10 10 DECE COc1ccc(Br)c(CNC[C@@H]2CCOC2)c1O 1964020030 JCYXKEFLYPHBEN-VIFPVBQESA-N 316.195 2.289 10 10 DECE COc1cccc(CNC(=O)[C@@H]2CCC[C@H](N(C)C)C2)c1O 1150543762 SKQMHDKWZYLNPN-OCCSQVGLSA-N 306.406 2.137 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(=O)OC)o1 1327915368 BUARODBOOUWFBK-UHFFFAOYSA-N 324.329 2.188 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc2c([nH]1)CCCC2 1178921913 DDQLYZGNQMVGII-SOFGYWHQSA-N 313.357 2.029 10 10 DECE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2nnco2)cc1 1290884692 MCFXZWGVINBLOA-UHFFFAOYSA-N 311.297 2.329 10 10 DECE COC(=O)[C@H]1CN(C(=O)/C=C(\C)c2cnccn2)c2ccccc21 1525278793 YQXPLEOXNUOEOM-TZIYXEQSSA-N 323.352 2.183 10 10 DECE COC1(C(=O)NCc2c(O)cccc2O)CCC(F)(F)CC1 1456326600 YSVLFLVAPRSXJJ-UHFFFAOYSA-N 315.316 2.309 10 10 DECE O=C1CC[C@H]1CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2121696756 CTIOJJZLEVFFDJ-LURJTMIESA-N 324.185 2.420 10 10 DECE CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CCO1 1624485436 USWSQLVDLXBGDK-BBRMVZONSA-N 307.390 2.208 10 10 DECE O=C(Cc1ccc(-n2cccn2)cc1)NCc1ccc(O)cc1O 1638351715 CZDYWQPTABMGBG-UHFFFAOYSA-N 323.352 2.142 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N1CCOCC2(CCCC2)C1 1634407232 CSMKHSDSPKJRQO-UHFFFAOYSA-N 305.374 2.060 10 10 DECE CCc1noc(C)c1NC(=O)NCCc1ccc(O)c(O)c1 155820237 AOXYZIWZKYTAIW-UHFFFAOYSA-N 305.334 2.321 10 10 DECE Cc1ccc(CN(C)[S@@](C)(=N)=O)c(O)c1Br 1905174315 SPMMUPVIBMLUAE-MRXNPFEDSA-N 307.213 2.486 10 10 DECE Oc1c(Br)cccc1CN1CCOCCOCC1 1967885267 LXRSUMXXIQOODK-UHFFFAOYSA-N 316.195 2.004 10 10 DECE CN[C@H](c1ccccc1O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 1936976214 SCSKZZCEPJFKOM-NWANDNLSSA-N 322.405 2.335 10 10 DECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](N)C1CC1 1951943242 KTXNFCCHCGRBPU-WFASDCNBSA-N 322.405 2.271 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1c1cccc(O)c1O 1952136821 WTCGISFCYJLGDG-ZYHUDNBSSA-N 308.378 2.497 10 10 DECE CC(C)(C)OC(=O)NCC1(CNCc2ccccc2O)COC1 1983398595 AAQFLHRLPJTLAK-UHFFFAOYSA-N 322.405 2.023 10 10 DECE CN(c1ccc(CO)c(Br)c1)[C@@H]1CN2CC[C@H]1C2 2040876662 KORQYDGFLPRXIB-IINYFYTJSA-N 311.223 2.082 10 10 DECE Cn1nccc1CNCc1cc(Br)cc(F)c1O 715796280 NHEZGWURRBJJTC-UHFFFAOYSA-N 314.158 2.317 10 10 DECE C[C@H]1C[C@H](CN)CN1Cc1cc(Br)cc(F)c1O 715766038 MIJJHEIMOCGEOV-DTWKUNHWSA-N 317.202 2.463 10 10 DECE C[C@H](NCc1c(O)cccc1Br)[C@H]1C[C@@H]1C(=O)O 2054519221 URZBMKFQCDRFJN-YIZRAAEISA-N 314.179 2.354 10 10 DECE CNCc1ccc(N2[C@H]3C[C@H]2CN(C)C3)cc1Br 2067423657 OOJDHQMUIDWPCP-STQMWFEESA-N 310.239 2.061 10 10 DECE CN1C(=O)[C@H](O)c2ccc(N3CC=C(Br)CC3)cc21 2092388084 GJGFDFWJKGZCEB-CYBMUJFWSA-N 323.190 2.185 10 10 DECE CNC[C@@H](C)N(C)Cc1c(Br)ccc(OC)c1O 2220464673 RXZRYWVQQIVEKO-SECBINFHSA-N 317.227 2.203 10 10 DECE COc1ccc(Br)c(CN[C@@H]2C[C@H]2[C@H](C)O)c1O 2220454215 QYFYITOVBSATCP-DKCNOQQISA-N 316.195 2.022 10 10 DECE CCN[C@H](C)c1cnc(SCC2(S(C)(=O)=O)CC2)s1 2229562385 ILFFIWATRCXIRM-SECBINFHSA-N 320.505 2.483 10 10 DECE OC[C@@H]1NC[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 2299534188 AXRZIWMDOZSIKY-AHRSYUTCSA-N 324.424 2.282 10 10 DECE O=C(C=Cc1cccnc1)N1Cc2cnnn2Cc2ccccc21 2311252757 JHLXIKSWIAWKBM-UHFFFAOYSA-N 317.352 2.281 10 10 DECE COc1cc(C=C2C(=O)N(C)N=C2C(F)(F)F)ccc1O 2332134762 HOLNEWZMJDDJQJ-UHFFFAOYSA-N 300.236 2.175 10 10 DECE COc1nccc(=NCc2ccc(C)c(Br)c2O)[nH]1 2352941580 SIWMQKRKDQSOCV-UHFFFAOYSA-N 324.178 2.296 10 10 DECE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1CCCS(=O)(=O)C1 69143126 RTBJFXXQZBKUOP-YNEHKIRRSA-N 309.431 2.416 10 10 DECE CCN(CCS(C)(=O)=O)Cc1cc(Cl)cc(C)c1O 180576235 BRCLSROFYMIOHV-UHFFFAOYSA-N 305.827 2.221 10 10 DECE CC[C@H](N[C@H](C)C(=O)NC)c1cc(Br)ccc1O 42560484 DIVQITLQUOYELG-KCJUWKMLSA-N 315.211 2.330 10 10 DECE CN(C)c1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1F 133953000 NHPOATFPEDIFEQ-LBPRGKRZSA-N 316.380 2.351 10 10 DECE CCCOc1ccc(C=C2C(=O)NNC2=O)c(OCCC)c1C 90448958 FVPMXCWBBLGSMO-UHFFFAOYSA-N 318.373 2.117 10 10 DECE Cc1cc(C(=O)N[C@@H](C)[C@H](C)CO)c(C)n1-c1ccccn1 269098999 HJJFCIBDAFEOMP-YPMHNXCESA-N 301.390 2.236 10 10 DECE C[C@]1(CO)CN(Cc2cccc3c2CCNC3)c2ccccc2O1 631867254 NTCFQCYFSIVNDE-HXUWFJFHSA-N 324.424 2.482 10 10 DECE Cc1cc(CN2CCN3C(=O)OCC[C@H]3C2)ccc1N(C)C 815077901 IDWGYAIAADYZSG-HNNXBMFYSA-N 303.406 2.088 10 10 DECE COC(=O)/C=C\c1ccc(N2Cc3c[nH]nc3C2)c([N+](=O)[O-])c1 820591263 GRLNZKOEFBRFTP-HYXAFXHYSA-N 314.301 2.024 10 10 DECE Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1Cl 825308499 ADYCOWFRVWPKQV-QKCSRTOESA-N 308.809 2.453 10 10 DECE CCOc1ccc(O)c(CN2CCO[C@@H](CCCN(C)C)C2)c1 827855390 BPOIZJLIEBNTCU-KRWDZBQOSA-N 322.449 2.334 10 10 DECE CCc1cnc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)s1 588405727 NCXWDDRTISVINP-XQRVVYSFSA-N 318.398 2.489 10 10 DECE COC(=O)[C@@H](CC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 844009784 SWNHJGIFDAEBOS-XYLWRLHESA-N 321.373 2.205 10 10 DECE C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)CN1CCO 841891367 KQVRRJZDCXUUSE-WDEREUQCSA-N 316.804 2.072 10 10 DECE CCN(C[C@H]1CCC2(COC2)O1)c1ccc(OC)c(OC)c1 929897342 JJXQEYRRYGOYPN-CQSZACIVSA-N 307.390 2.478 10 10 DECE COc1ccc(N2CC[C@@H](N[C@@H](C)Cc3cnccn3)C2)cc1 850486703 JNEBJAOXGTVNQG-LSDHHAIUSA-N 312.417 2.285 10 10 DECE CCCN(CC(=O)Nc1cccnn1)Cc1ccccc1O 929752762 GLUPHPNKBVZMGP-UHFFFAOYSA-N 300.362 2.033 10 10 DECE COc1cccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1O 769405939 YRCHBLQRVXNJSU-OAHLLOKOSA-N 318.417 2.235 10 10 DECE Oc1c(F)cc(F)cc1CN1CCO[C@]2(CCSC2)C1 895075754 GRMPUUWUVPCLPR-CQSZACIVSA-N 301.358 2.378 10 10 DECE O=C(NCC1CCOCC1)c1cc2cc(O)c(O)cc2s1 896024224 JTIPABPPGWEULD-UHFFFAOYSA-N 307.371 2.469 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCN=[N+]=[N-])C1 1957248804 GFQQOOSITONFOX-CWKPULSASA-N 317.415 2.309 10 10 DECE Cn1cc([C@H](NC(=O)c2cccc(O)c2O)C(C)(C)C)cn1 790885253 HFMFKDQFXAMXTD-AWEZNQCLSA-N 303.362 2.349 10 10 DECE C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2cncnc21 1302946872 NDSPKCJZMYCGHL-MZBZXASESA-N 311.341 2.047 10 10 DECE CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 1324447632 MUDFNXIVWXBJFG-ZBFHGGJFSA-N 305.422 2.428 10 10 DECE CC1(C)CCN1c1cc2c(cc1Br)[C@@H](O)C(=O)N2 706791494 KEZSMMIWCFPWPM-LLVKDONJSA-N 311.179 2.423 10 10 DECE Cn1nccc1CCC(=O)Nc1c(Cl)ccc2nonc12 1323483574 PSBIAFHPSAMSKL-UHFFFAOYSA-N 305.725 2.181 10 10 DECE CCN(C)CCNCc1cc(Br)cc(F)c1O 715777604 IKNMYXZLUKNPOS-UHFFFAOYSA-N 305.191 2.335 10 10 DECE Oc1cc(Br)ccc1CN[C@@H]1CN2CCC1CC2 691461344 GPKVRHABQDTMHK-CYBMUJFWSA-N 311.223 2.339 10 10 DECE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)NCCN=[N+]=[N-] 1965101715 GSVYRERCLAMWFI-RHYQMDGZSA-N 323.397 2.352 10 10 DECE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ncc[nH]1 1448162947 SCIHHVBMVQOYEH-NSHDSACASA-N 300.322 2.453 10 10 DECE Cc1ccc(C)c(OC(=O)CCN2C(=O)CSC2=S)c1 1865774640 UGSUZHAHHORVCQ-UHFFFAOYSA-N 309.412 2.459 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1 1540275145 UBRXASXYWNEYSC-UHFFFAOYSA-N 322.328 2.427 10 10 DECE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(=O)n(C)c1 1622142518 DGBDFWCWXQSTEP-UHFFFAOYSA-N 313.317 2.108 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1-n1ccnc1 1631864995 CCFCNALIWZILDR-UHFFFAOYSA-N 323.352 2.142 10 10 DECE CCOc1ccccc1OCC(=O)NCc1ccc(O)cc1O 1638351658 AIQRMBRGFUMLJC-UHFFFAOYSA-N 317.341 2.192 10 10 DECE CC(C)c1[nH]nc(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1645048507 YFOISSPERXHGJI-UHFFFAOYSA-N 322.296 2.216 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)[C@@H](N)c2ccccc2O)C1 1919782805 YAROQLBOFNELSJ-TUKIKUTGSA-N 322.405 2.010 10 10 DECE CN(Cc1cnn(C)c1)c1ccc(CN)c(Br)c1 228149485 QHPRQCRQBZCZQY-UHFFFAOYSA-N 309.211 2.278 10 10 DECE Oc1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1O 1939380634 SGUJWMAJKLGALM-LPHOPBHVSA-N 310.397 2.462 10 10 DECE CN1CC[C@@H](N)[C@@H]1c1ccc(NC(=O)OC(C)(C)C)cc1O 1952681675 ACTBXOKRGRPVOW-OCCSQVGLSA-N 307.394 2.443 10 10 DECE C[C@@H](N[C@H]1C[C@H](CS(C)(=O)=O)C1)c1cc(F)ccc1O 1974470229 JGAUAQGZASQBLZ-CKYFFXLPSA-N 301.383 2.005 10 10 DECE CC(C)(C)OC(=O)NC1[C@@H]2CN(CCc3ccc(N)cc3)C[C@@H]12 1978505813 INNVGSPPKGBJGA-HUUCEWRRSA-N 317.433 2.266 10 10 DECE Nc1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 38055553 XHWRPUJCNRNOME-UHFFFAOYSA-N 322.162 2.444 10 10 DECE CO[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1F 2029806159 CYPKUDCBSXMEJV-SCZZXKLOSA-N 321.165 2.220 10 10 DECE C[C@@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Cl 312771878 ZOBZALNXVRKWIS-PWSUYJOCSA-N 316.854 2.373 10 10 DECE COC(=O)c1cnc(Sc2nnnn2C2CCCC2)s1 2182632092 MDOBVKMGUDBDBB-UHFFFAOYSA-N 311.392 2.183 10 10 DECE CN(CC(C)(C)S(C)(=O)=O)c1ccc(CO)c(Cl)c1 713918070 GRUCSMUBLWBPDL-UHFFFAOYSA-N 305.827 2.092 10 10 DECE Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(O)c(O)c1 2062423098 JPHNZHJBHOQCCW-VIFPVBQESA-N 303.362 2.265 10 10 DECE CCC(CC)[C@H](C(=O)Nc1ccc(O)c(O)c1)N1CCOCC1 2065134089 GJYSNKQWPZAKLN-MRXNPFEDSA-N 322.405 2.173 10 10 DECE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)c(Cl)c1 2170270791 CMDFFMQFUDOXBC-VWYCJHECSA-N 316.854 2.372 10 10 DECE Cc1ccc(Cn2nc(C(=O)O)c(N)c2C(F)(F)F)c(O)c1 2079136964 GETGINWTBSTTBG-UHFFFAOYSA-N 315.251 2.245 10 10 DECE CN(CC1[C@@H]2COC[C@@H]12)c1ccc(CO)cc1Br 2054307254 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COC(=O)/C=C/c1ccc(N2CCC3(COC3)C2)c([N+](=O)[O-])c1 853951272 RIJXOSUAAFDBAE-HWKANZROSA-N 318.329 2.008 10 10 DECE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C)NC1 861686083 MFZRKDVUONDNJE-DZGCQCFKSA-N 305.422 2.454 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Oc1ccccn1 935945594 CYYWXPMODZRRRF-LBPRGKRZSA-N 321.373 2.357 10 10 DECE CC(=O)C(=O)COC(=O)c1cccc(F)c1OC(F)(F)F 860374863 HADMJQVTBKCKQW-UHFFFAOYSA-N 308.183 2.039 10 10 DECE Cn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C1CC1 862027888 IRYNVKUMQMALHX-UHFFFAOYSA-N 322.368 2.481 10 10 DECE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1O 895847203 MXEMZDICPZKOKT-BXUZGUMPSA-N 322.361 2.310 10 10 DECE O[C@@H]1[C@H]2C[C@@H]([C@H]1O)N(c1ccc(OCc3ccccc3)cc1)C2 1899874036 IETFVLFEFJXMGO-WQANXHIZSA-N 311.381 2.196 10 10 DECE COc1ccc(/C=C\C(=O)NCc2c(O)cccc2O)cc1O 1304053321 IICKPAXYXOMQHT-VURMDHGXSA-N 315.325 2.142 10 10 DECE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@](C)(O)c1ccccc1 1164484668 DJSKMCABYAUCJT-SGTLLEGYSA-N 315.369 2.053 10 10 DECE COc1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CCCO2)cc1C 1320342863 JUZGZHLEMSITPW-YOEHRIQHSA-N 320.433 2.167 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1C(=O)NCCN=[N+]=[N-] 1965101441 CXCSROZUXOTWJQ-NWDGAFQWSA-N 323.397 2.449 10 10 DECE CN[C@H]1C(=O)Nc2cc(N(C)CC3CSC3)c(Cl)cc21 718281578 GXQCSUDLXNHYNR-CYBMUJFWSA-N 311.838 2.352 10 10 DECE COC(=O)c1cccc2c1CCN2C(=O)/C=C/c1cccnc1 1289252137 FDQMOUKEIPXVQJ-BQYQJAHWSA-N 308.337 2.471 10 10 DECE CC[C@H](COCC(F)(F)F)NC(=O)Cc1ccc(O)c(O)c1 1624854320 JYIMGSZQZWKFDV-SNVBAGLBSA-N 321.295 2.114 10 10 DECE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)Cn1cccn1 1624740233 QJRDVGHLQBPTIZ-NSHDSACASA-N 314.349 2.112 10 10 DECE C=CC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 1558535541 JMGXADGBYQMRQE-UHFFFAOYSA-N 312.325 2.152 10 10 DECE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)C1(O)CCCC1 1557032957 NYEGCJTVWBUTFM-UHFFFAOYSA-N 307.390 2.088 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1ncc2ccccc2c1O 1631434246 NFFKGGIGFZRJTQ-UHFFFAOYSA-N 310.309 2.282 10 10 DECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@@H]1O 1638348014 OADMONYECMAIPB-BNOWGMLFSA-N 307.390 2.086 10 10 DECE C=C/C=C/CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1642103743 IVNHDTFHUYGXJD-AATRIKPKSA-N 316.401 2.485 10 10 DECE CCCOC(=O)CN1C(=O)/C(=C\c2ccccn2)SC1=S 5836429 ALIXHFFENZEGFS-DHZHZOJOSA-N 322.411 2.236 10 10 DECE CCN[C@H](C)c1ccc2c(c1)CCN2CCCS(C)(=O)=O 162164253 KGUVEIXSSMHVPV-CYBMUJFWSA-N 310.463 2.154 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@@H](N)c1ccccc1O 1921859184 CRMMRBVEULARGY-NKFCBESUSA-N 310.394 2.056 10 10 DECE CCOC(=O)[C@H](N)c1cc(Cl)cc(Br)c1O 1951403785 VSIUXLYHBZFVIM-MRVPVSSYSA-N 308.559 2.371 10 10 DECE CS[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1971512451 BJRFWXXUVBPXCL-IUCAKERBSA-N 317.415 2.058 10 10 DECE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1985093532 AVDORBYCBPFERN-BMIGLBTASA-N 323.397 2.401 10 10 DECE C[C@@H](N)c1ccc(N2CC(N3CCC3)C2)cc1Br 2034798273 QCZHBSMRILLQRM-SNVBAGLBSA-N 310.239 2.363 10 10 DECE C[C@H](N)c1ccc(N2C[C@H]3[C@H](N(C)C)[C@H]3C2)c(Br)c1 384973505 YGGDARVDWQDXAQ-APAOZMKASA-N 324.266 2.465 10 10 DECE CC(C)c1c(C(=O)NC2CC2)cnn1-c1ccc(O)c(O)c1 2069766897 KENFBKMCTFGUFJ-UHFFFAOYSA-N 301.346 2.299 10 10 DECE CCCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O 2170592944 CDAIANDUTIPMLU-GHMZBOCLSA-N 303.399 2.395 10 10 DECE O=C1Nc2cc(N3CC[C@H]3C3CC3)c(Br)cc2[C@@H]1O 2088662452 PBSKPAFUCNPCJD-AAEUAGOBSA-N 323.190 2.423 10 10 DECE COc1ccc(N2C[C@H](C)[C@H](O)C2)c(OC)c1Br 2219391788 MOGGSIUTHUGDBD-WCBMZHEXSA-N 316.195 2.283 10 10 DECE O=C(O)[C@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 2279197165 PTTGBJOYGBQJIK-MWLCHTKSSA-N 320.172 2.109 10 10 DECE CSc1ncc(CNC(=O)[C@@H]2CNCC23CCCC3)s1 2284500892 RNYUZLOEIYTKAE-NSHDSACASA-N 311.476 2.261 10 10 DECE CSc1ncc(CNCC23CCC(CN)(CC2)OC3)s1 2284717628 CDQIOMXANPXCOJ-UHFFFAOYSA-N 313.492 2.243 10 10 DECE CSc1ncc(CN[C@H]2C[C@H](C)S(=O)(=O)[C@H](C)C2)s1 2352705561 QEUGHPUXTIYVDQ-ILWJIGKKSA-N 320.505 2.309 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)c2cnccc2N(C)C)c1 183976444 FQQSFJGMRGUUOT-LLVKDONJSA-N 315.373 2.353 10 10 DECE O=[N+]([O-])c1ccc(O)c(CNc2ccc(-n3ccnc3)nc2)c1 181598996 SWRCRWBNNIJAKD-UHFFFAOYSA-N 311.301 2.493 10 10 DECE C[C@@H]1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 92775376 SBSWTIRUESIZDG-KRTXAFLBSA-N 310.195 2.247 10 10 DECE C[C@@H](N[C@H]1CCC(=O)NC12CCC2)c1cc([N+](=O)[O-])ccc1O 282971914 DDXWLEMZHQKEDG-YGRLFVJLSA-N 319.361 2.152 10 10 DECE CN(CC[S@](C)=O)c1ccc(/C=C\C(=O)O)c(Cl)c1 398798663 AHUVOOXVFXLNOU-UTSMFGRCSA-N 301.795 2.253 10 10 DECE CNC(=O)[C@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1 817370020 JMBXGGPUBFGDEA-ZDUSSCGKSA-N 314.385 2.122 10 10 DECE Cc1cc(O)c(CN2CCN([C@H]3CCOC3)CC2)c(Cl)c1 827125552 MBNZYBQKHVDVOF-ZDUSSCGKSA-N 310.825 2.261 10 10 DECE CC[C@H](CO)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835029260 RWODLWNBRZDIOP-OOFWQKGWSA-N 317.477 2.154 10 10 DECE COc1cc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c(O)cc1C 840188985 NPIYKVOEWWQAEJ-AWEZNQCLSA-N 306.406 2.198 10 10 DECE Cn1nccc1[C@H]1COCCN1Cc1cccc(Cl)c1O 846116597 UYPYBBLDDQUZKD-CQSZACIVSA-N 307.781 2.353 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1c1ccnn1C 846115596 MPPMKMAXVKIYRE-GOSISDBHSA-N 314.433 2.368 10 10 DECE C[C@@H]1[C@@H](CO)CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844210190 RHDPUIZPFGFTPF-BVKQBWKVSA-N 320.345 2.290 10 10 DECE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)cc1 852791986 ONLMPBDLYDMCGV-MWQQHZPXSA-N 301.434 2.305 10 10 DECE C[C@H]1CN(C(=O)NCCCSc2nccs2)CCC1=O 921446976 VKTVOSRHRKFVLB-JTQLQIEISA-N 313.448 2.246 10 10 DECE CCO[C@H](CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228491 BEROTHDNLRBTRJ-CZUORRHYSA-N 306.406 2.205 10 10 DECE Cc1cc(CC(=O)N2CC=C[C@H]2CO)c(C)n1-c1ccccc1 922287720 IEESOQOJWLTXKA-SFHVURJKSA-N 310.397 2.396 10 10 DECE COc1ccccc1N1CC[C@@H](NC(=O)c2cc(O)cs2)C1 757438782 WQCPHLMUGIKTNR-LLVKDONJSA-N 318.398 2.471 10 10 DECE Cc1ccc(O)c(CNC(=O)NCCc2c(C)nn(C)c2C)c1 858136262 KJHYBTSLADFYLR-UHFFFAOYSA-N 316.405 2.093 10 10 DECE COc1ccc(F)c(NS(=O)(=O)c2cccc3nonc23)c1 765101272 IOTAIOIONNZCEJ-UHFFFAOYSA-N 323.305 2.171 10 10 DECE Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1ccccn1 765914236 AKQSMPJDXFSRJL-UHFFFAOYSA-N 309.373 2.153 10 10 DECE O=C(C1CN(C2CCCCC2)C1)N1Cc2cccc(O)c2C1 871205839 LFZAYSRVHYMJHW-UHFFFAOYSA-N 300.402 2.499 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1 1152878481 GECWYRLNEHYATG-UONOGXRCSA-N 316.361 2.394 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)CCN(O)C(=O)OC(C)(C)C 1887718238 URKCAEHBCZMHEW-UHFFFAOYSA-N 301.347 2.162 10 10 DECE CCCC(=O)NCCNCc1c(O)cccc1Br 706863451 HHZLBWQFZWXJNP-UHFFFAOYSA-N 315.211 2.161 10 10 DECE CN[C@@H](C)c1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694153091 BZVXISAHBVJFRQ-NSHDSACASA-N 318.870 2.491 10 10 DECE CC(=O)c1cc(F)c(O)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1456044072 YDAKVENUSKLOMY-UHFFFAOYSA-N 319.288 2.326 10 10 DECE CC(=O)Nc1c(C)cccc1C(=O)NCc1c(O)cccc1O 1472063446 KQYVASVMNUVLGW-UHFFFAOYSA-N 314.341 2.295 10 10 DECE CN1CCC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1626112000 VLJVBXSXZHBDLV-GFCCVEGCSA-N 317.393 2.311 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)n1 1622642925 FJRBZQUZRGKXTC-UHFFFAOYSA-N 312.247 2.442 10 10 DECE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnn[nH]3)c2C)c1 1641795547 MCYYFZAIWVREMG-UHFFFAOYSA-N 309.373 2.451 10 10 DECE CC(C)[C@]1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1641792983 LAQQIOAPUWNCFH-MRXNPFEDSA-N 318.377 2.330 10 10 DECE COc1cccc(CNS(=O)(=O)[C@H](C)CC(C)C)c1O 161116026 IPZZHQQKYSXZDD-LLVKDONJSA-N 301.408 2.255 10 10 DECE CCN(CC)CCN=NNc1ccc2c(c1)OCC(=O)N2C 1860493750 BAXUORAQKTZPTG-UHFFFAOYSA-N 305.382 2.163 10 10 DECE C[C@H](N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1937554366 JBSGTJXEZBZNCS-YUTCNCBUSA-N 322.405 2.335 10 10 DECE C[C@@H]1C[S@](=O)CCN1Cc1c(O)cccc1Br 1970317147 ZAQFXWYXYIEHME-VVVCHXIZSA-N 318.236 2.108 10 10 DECE N[C@@]1(c2cc(I)ccc2O)CC1(F)F 1952420284 GTANIEOMIUPMBS-MRVPVSSYSA-N 311.069 2.190 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 2145070630 IIIJKNWHDILJPS-RULNRJAQSA-N 315.822 2.226 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NCc1cccc(O)c1O 1986708844 GIOOZNRKKCQFMB-YPMHNXCESA-N 322.405 2.491 10 10 DECE O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)o2)ccc1O 2152802448 FVGIPNIDGIKAQM-UHFFFAOYSA-N 317.706 2.138 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](C)O)c(Br)c1 2011150140 XNXJNFDTKQFAFN-YGOYTEALSA-N 300.196 2.462 10 10 DECE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](F)C2)c(Br)c1 2031928187 LBNUVAQVLRUCCG-DYLAAIIWSA-N 317.202 2.249 10 10 DECE CC[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(C)(F)F 2171910885 CLRYSJMRYOMDIC-NSHDSACASA-N 306.378 2.370 10 10 DECE CCN1CCc2cc([C@@H](NN)[C@@H]3CSCCS3)ccc21 2163134334 XKKIEMGJDMJDRW-LSDHHAIUSA-N 309.504 2.422 10 10 DECE CCN(C[C@@H](C)O)c1ccc(CNCCOC)cc1Cl 691410225 LDVZDRUMQHGXHA-GFCCVEGCSA-N 300.830 2.283 10 10 DECE COC(OC)[C@@H](C)NCc1cc(Br)cc(F)c1O 715747935 XJWWLBFYTRWJGF-SSDOTTSWSA-N 322.174 2.391 10 10 DECE C[C@H](N)c1ccc(N2CC(O)(C3CC3)C2)cc1Br 384053909 NXSMYIHZYPKYHZ-VIFPVBQESA-N 311.223 2.430 10 10 DECE CNC(=O)c1cc(C(C)C)nn1Cc1cc(OC)ccc1O 2070040565 LLKGBPUBGWANJC-UHFFFAOYSA-N 303.362 2.129 10 10 DECE OC[C@@H]1C[C@H](NCc2cccc(Br)c2O)[C@H]2C[C@@H]21 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324.362 2.144 10 10 DECE CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)F 824634570 ATQNXQMQMRYLHU-CABCVRRESA-N 314.376 2.017 10 10 DECE Cc1ccc(O)c(CNC[C@@H]2CS(=O)(=O)c3ccccc32)c1 824516287 LMFZDDYNHSUOJC-CQSZACIVSA-N 317.410 2.361 10 10 DECE COc1cc(Br)cc([C@@H](C)NCCN(C)C)c1O 848550954 ZUJQTWAAHRXDAJ-SECBINFHSA-N 317.227 2.376 10 10 DECE CCc1cccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O 848913686 BMUJILZIERMHMI-BRWVUGGUSA-N 305.418 2.316 10 10 DECE COc1ccc(N2CC[C@@H](NCc3ccc(OC)nc3)C2)cc1 850347091 NGGFNYBZHFAFDE-OAHLLOKOSA-N 313.401 2.467 10 10 DECE COc1cccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1O 854246318 OTKWUGCSRJLBNK-ZDUSSCGKSA-N 321.421 2.073 10 10 DECE COC(=O)C1=CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1 858472141 GVBXMBRCHYSENH-GXSJLCMTSA-N 306.318 2.213 10 10 DECE C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccns1 860053947 DLQPLTHLTRFPEN-LBPRGKRZSA-N 318.446 2.176 10 10 DECE COC[C@@H](C)n1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 930991846 HQEHVELFHLGKRD-LLVKDONJSA-N 316.361 2.344 10 10 DECE CN(Cc1cc2c(cc1O)CCCC2)C[C@H]1CCS(=O)(=O)C1 768445071 DZIFCGIXYLYYAU-CYBMUJFWSA-N 323.458 2.138 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCN3C)C2)c1O 879571552 BQXPXDKDCDNYGR-WBMJQRKESA-N 306.381 2.260 10 10 DECE Cc1cc(Br)cc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O 783738957 DHHAHLFIGQEBTI-FZMZJTMJSA-N 312.207 2.277 10 10 DECE O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc(O)c1O 790890946 LZTIOZWBKZVIER-LLVKDONJSA-N 315.325 2.058 10 10 DECE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-] 1885557479 PTQYVQCJYXGIRG-VIFPVBQESA-N 301.347 2.038 10 10 DECE Cc1ccc(O)c(CNC(=O)[C@@]2([C@H]3CCCCO3)CCCO2)c1 1348899853 MFNHEBGVEDDJDQ-AEFFLSMTSA-N 319.401 2.435 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NCCc1cc2ccccc2[nH]1 1466197219 MVROTTIBYUDUFY-UHFFFAOYSA-N 310.353 2.481 10 10 DECE NC[C@@H]1CN(c2ncncc2Br)Cc2ccccc21 2119632853 YAXHUNAHTUQMGF-LLVKDONJSA-N 319.206 2.302 10 10 DECE C/C(=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cnccn1 1532075812 SASPFDTYGCKBBL-FLIBITNWSA-N 310.313 2.377 10 10 DECE C[C@@](O)(CC(=O)NCc1c(O)cccc1O)c1ccccc1 1472063699 QLOMBJMGUSOQFS-QGZVFWFLSA-N 301.342 2.012 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCCCOCC2CC2)cc1 1539370050 RIHXROJHTKQOSB-UHFFFAOYSA-N 304.350 2.396 10 10 DECE COC(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1C 1545322259 FQZLNEJIPIRNQC-UHFFFAOYSA-N 301.298 2.445 10 10 DECE COc1ccc(CNC/C=C/CNC(=O)c2cnco2)cc1C 1715852287 PZEZXDSUYMFJHO-ONEGZZNKSA-N 315.373 2.067 10 10 DECE CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1629038415 ISAYZLXLMZXTHX-MEBBXXQBSA-N 306.366 2.376 10 10 DECE CN(C)c1ccc(CNC(=O)c2ncccc2N(C)C)cc1F 1627045837 GDOLIEGAIBZJPY-UHFFFAOYSA-N 316.380 2.283 10 10 DECE O=C(NCc1c(O)cccc1F)c1cc(C(F)(F)F)n[nH]1 1638862606 CTLZQKBXKOGFLN-UHFFFAOYSA-N 303.215 2.203 10 10 DECE Nc1c(C(=O)N2Cc3cccc(O)c3C2)cc(F)cc1[N+](=O)[O-] 1650671976 CORVDGCVEQBCRC-UHFFFAOYSA-N 317.276 2.178 10 10 DECE COc1ccc(C(=O)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 19046311 WISDIXBYXPVYLQ-UHFFFAOYSA-N 311.293 2.092 10 10 DECE COc1cc(O)c(CN2CCC(N3CCCC3)CC2)cc1OC 160227303 YMTJUOYKNASFLK-UHFFFAOYSA-N 320.433 2.470 10 10 DECE CCCC[C@@H](NC(=O)NCC)C(=O)N(C)Cc1ccccc1O 155506099 MYXKVNAEPPWLCA-CQSZACIVSA-N 321.421 2.229 10 10 DECE Cc1ccc(O)c(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c1 1860825027 JKFFQIXPYULAKZ-JMUHATKESA-N 323.395 2.375 10 10 DECE C[C@]1(CNCc2cc(Br)ccc2O)COCCO1 1967789714 ASCMZKCMFWKTNL-ZDUSSCGKSA-N 316.195 2.050 10 10 DECE NCc1ccc(N(CCC(N)=O)Cc2ccccc2)c(F)c1 1931981656 DDTMZRCASYPLOJ-UHFFFAOYSA-N 301.365 2.166 10 10 DECE CCN[C@](CO)(CSc1nccs1)C1CCOCC1 2142997840 HPHMYCSRGZQIOC-CYBMUJFWSA-N 302.465 2.002 10 10 DECE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1c(O)cc(O)cc1O 1952075648 FIFRRHPVXOOFJK-NSHDSACASA-N 323.345 2.445 10 10 DECE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1cc(O)ccc1O 1952137021 YEMHIVBALSDDQT-GWCFXTLKSA-N 308.378 2.497 10 10 DECE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(O)c(O)c1 1982315195 VMBHLBAVFBOWHH-SNVBAGLBSA-N 324.377 2.131 10 10 DECE Cc1ccc([C@H](C)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 1985775789 MYIHBSNLSMLRHW-QWHCGFSZSA-N 324.421 2.237 10 10 DECE CC1(CO)CC(NCc2ccc(Br)cc2O)C1 2007017770 PZBAMXTUFNZNLW-UHFFFAOYSA-N 300.196 2.405 10 10 DECE C[P@@]1(=O)C[C@@H](Nc2c(N)cccc2Br)[C@@H](O)C1 2008560461 LCCJLBCVMDVUDB-GPHJXTMHSA-N 319.139 2.179 10 10 DECE Oc1cc(Br)ccc1CN1CC[C@H]2CCN[C@@H]2C1 2027240756 ROQWMYNAUKQATN-ZWNOBZJWSA-N 311.223 2.339 10 10 DECE Oc1ccc(Br)cc1CN1CC[C@@H]2CCN[C@H]2C1 2027226930 HWYHZDXWQNPCED-GWCFXTLKSA-N 311.223 2.339 10 10 DECE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1c(O)cccc1Cl 2156774926 GEMNICDUAFDSSG-QWRGUYRKSA-N 317.838 2.491 10 10 DECE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c2n1 2063333215 PMIDHILIABUKGI-ZDUSSCGKSA-N 300.362 2.004 10 10 DECE CN1C[C@H]2C[C@H]1CN(c1ccc(CO)c(Br)c1)C2 2042530755 MZBGOFZISDLFSP-MFKMUULPSA-N 311.223 2.082 10 10 DECE Cn1ncc2c1CN(c1ccc(CO)cc1Br)C2 2049483880 VNYKXLVPXNVAEW-UHFFFAOYSA-N 308.179 2.195 10 10 DECE Oc1ccnc(CNCc2cc(Cl)cc(Cl)c2O)n1 2106918463 YZVOUJQNQAFJSN-UHFFFAOYSA-N 300.145 2.484 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@@H](NCc2ccc(Cl)cc2O)C1 2090125674 XIWIEFKEZRUGOJ-VXGBXAGGSA-N 303.811 2.101 10 10 DECE C[C@@H](c1ccc(Cl)cc1O)N1CC[C@H](CS(C)(=O)=O)C1 2203361451 AAAOGHYLBCIERZ-QWRGUYRKSA-N 317.838 2.473 10 10 DECE Cc1ccc(Br)c([C@@H](NCCN=[N+]=[N-])C(N)=O)c1 2220787822 URPSAIKEGRNXAQ-SNVBAGLBSA-N 312.171 2.184 10 10 DECE CP(C)(=O)C1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2286169005 LGLGBCZQOFQPRY-GFCCVEGCSA-N 313.725 2.103 10 10 DECE NC[C@H]1CC(F)(F)CN1Cc1c(O)cccc1Br 2264254273 ZSBMWGZAOYNPCF-MRVPVSSYSA-N 321.165 2.323 10 10 DECE O=C1N=C(N2CCCCN2)SC1=Cc1ccc(F)cc1O 2296594433 SKCADXVKQRCWTR-UHFFFAOYSA-N 307.350 2.102 10 10 DECE Cc1ccc(CN(C)c2ncnn2C)c(O)c1Br 2327587193 VYFNUYOQMDLOOG-UHFFFAOYSA-N 311.183 2.228 10 10 DECE Cc1cc(C)nc(SC[C@H](O)COc2ccc(N)cc2)n1 51606681 XPSWQBUYHYMQGB-CYBMUJFWSA-N 305.403 2.208 10 10 DECE Nc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1 303972585 OLSFDWFMRDFGCH-UHFFFAOYSA-N 310.401 2.301 10 10 DECE CN(Cc1nc(-c2cccnc2)no1)c1ccc2c(c1)OCO2 121247724 FZTOCLVBAVCGPV-UHFFFAOYSA-N 310.313 2.497 10 10 DECE CS(=O)(=O)c1ccc(Oc2ccc(N)cc2)c([N+](=O)[O-])c1 38056407 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2.490 10 10 DECE C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 903303242 NKPAMBXRMBUZRM-JJRVBVJISA-N 321.440 2.406 10 10 DECE O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(O)c(CO)c1 588471183 UCMLYLUWLNKRJY-ZROIWOOFSA-N 318.398 2.341 10 10 DECE COc1ccc(CNC(=O)/C=C/C2(C)CCOCC2)c(O)c1 831617411 COTABNLQDFSABA-AATRIKPKSA-N 305.374 2.390 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[C@@](O)(C(F)F)C2)c1O 831175008 CCUULUDYZNUUCI-AWEZNQCLSA-N 319.735 2.450 10 10 DECE Cn1c2c(ccc1=O)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 846310647 OVYZUIPIDIZHSO-AWEZNQCLSA-N 312.373 2.167 10 10 DECE COc1cc(Br)cc([C@H](C)NC[C@H](C)O)c1O 848514721 PILKFQVGCTTZPT-YUMQZZPRSA-N 304.184 2.195 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(O)cs1 862068120 QEUXRLOCNMRGSG-QRTLGDNMSA-N 324.402 2.191 10 10 DECE CCOc1ccc(CN2CCC(C(=O)N(C)C)CC2)c(O)c1 768193745 LOQFJWKPINOGID-UHFFFAOYSA-N 306.406 2.091 10 10 DECE CCO[C@@H]1COCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 871199714 SWSGHMBQXPCMAM-MLGOLLRUSA-N 305.374 2.066 10 10 DECE CCC[C@@H](C)N1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871201259 SJNKCWURIZPVBU-TZMCWYRMSA-N 316.401 2.272 10 10 DECE CCOC(=O)C1(O)CCN(Cc2ccc(N(C)CC)cc2)CC1 773753272 FGNDGNUGZUXPOW-UHFFFAOYSA-N 320.433 2.033 10 10 DECE CCOC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1957865918 ZSEJSOSRALGQOD-JSGCOSHPSA-N 310.394 2.322 10 10 DECE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C(C)(C)C)no1 1148596722 RERXJGLTKVMQNJ-SECBINFHSA-N 319.361 2.198 10 10 DECE CCN1CC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1141723081 NIMSZKOGNRWRKP-CQSZACIVSA-N 321.384 2.429 10 10 DECE CN(Cc1ccccc1O)C(=O)Cc1cn2cc(F)ccc2n1 1149872290 XZRJRFFSNWFDCK-UHFFFAOYSA-N 313.332 2.380 10 10 DECE COc1cccc([C@H](OC)C(=O)NCc2ccc(O)cc2O)c1 1162277663 ASQPQRREBGZHJJ-INIZCTEOSA-N 317.341 2.110 10 10 DECE C[C@@H](N)c1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694152362 RNIYNIWRZRHZIN-SNVBAGLBSA-N 304.843 2.231 10 10 DECE COC(=O)c1cc(OCc2nc(C3CC3)no2)ccc1N(C)C 1329631843 GSJAWZPMYTUJME-UHFFFAOYSA-N 317.345 2.379 10 10 DECE 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Cc1cccc([C@@H](O)CNC(=O)C=Cc2ccc(O)c(O)c2)c1 2308001967 IJVLHAZOIRQQDZ-KRWDZBQOSA-N 313.353 2.269 10 10 DECE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O 2310041566 VMOZJOQIHXCATH-DIUUZDHRSA-N 312.207 2.404 10 10 DECE CC(C)[C@@H](CO)N(C)c1cc(Br)c(CN)cc1F 2318779552 SBAQQKLZMVWDDV-CYBMUJFWSA-N 319.218 2.500 10 10 DECE C[C@H]1C[C@](Sc2nccs2)(C(=O)O)C[C@@H](C)S1(=O)=O 2352676389 OYKRJOVPUVCRKB-VROVMSAKSA-N 321.445 2.044 10 10 DECE Cc1ccc(O)c(CNC(C)(C)CCN2CCN(C)CC2)c1 185891533 WKCNKZNXWLEPKI-UHFFFAOYSA-N 305.466 2.206 10 10 DECE COc1ccc(O)c(CNC(=O)c2snnc2C(C)(C)C)c1 189385474 KIUUFOKVKOKOTM-UHFFFAOYSA-N 321.402 2.480 10 10 DECE O=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1O 133752646 LFKQXUINRQSIHY-UHFFFAOYSA-N 300.317 2.163 10 10 DECE CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 89689943 AIZNASWAPDLDFO-ZDUSSCGKSA-N 321.421 2.284 10 10 DECE COc1cccc(CN2CCC(C)(N3CCOCC3)CC2)c1O 529665482 YONKGVAWYHSCFZ-UHFFFAOYSA-N 320.433 2.088 10 10 DECE N[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)C(F)(F)C(F)(F)F 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10 10 DECE CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(O)c2O)C1 687744403 XKDWOCVDDSKLMA-WDEREUQCSA-N 323.345 2.133 10 10 DECE CCn1nccc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 850346120 CQEHECDHQDDHRK-AWEZNQCLSA-N 300.406 2.280 10 10 DECE COC(=O)Cc1occ(C)c1C(=O)NCc1c(O)cccc1F 928706688 VDAHOAOVQQAKDR-UHFFFAOYSA-N 321.304 2.078 10 10 DECE Cc1noc([C@H]2OCC[C@H]2N[C@H](C)c2ccc(F)cc2O)n1 858591246 BJCNGNJICIBKJE-RGZBUGHASA-N 307.325 2.404 10 10 DECE COc1cccc(CNC(=O)NCC[C@@H]2CC2(F)F)c1O 856932751 SOVGKSGYKDPEMA-SNVBAGLBSA-N 300.305 2.245 10 10 DECE C[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccc(N(C)C)cc1 935466148 XDFRSFBKGVKJHP-JZMHTTPVSA-N 300.402 2.353 10 10 DECE Cc1cncc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)c1 868319965 QYLOGDHYELBCBW-INIZCTEOSA-N 324.384 2.274 10 10 DECE CCOc1ccc(O)c(CN(C)Cc2nnc3ccccn23)c1 769201599 CCOSHHFYBZOZCO-UHFFFAOYSA-N 312.373 2.466 10 10 DECE C[C@H](NS(=O)(=O)N1CCC[C@@H]1C)c1ccc(N(C)C)cc1 773089109 RKVJTKLLXKMNKT-STQMWFEESA-N 311.451 2.132 10 10 DECE C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(N(C)C)cc1 773180461 RFLDBLJSXJYUOJ-GFCCVEGCSA-N 301.394 2.047 10 10 DECE O=C1/C(=C\c2cncnc2)SC(=S)N1c1cccnc1 781105755 FEXGVTWFWKVDFS-NYYWCZLTSA-N 300.368 2.277 10 10 DECE COC(=O)N[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 895848161 LTYAQEZLOQJPIO-QMMMGPOBSA-N 302.733 2.115 10 10 DECE CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCc1ccccc1O 1964888368 FDBCTQFENOBVBP-UHFFFAOYSA-N 324.377 2.243 10 10 DECE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(O)cs1 1331184484 MKRDZXGHEFFSSQ-RKDXNWHRSA-N 314.407 2.485 10 10 DECE COc1ccc(CN[C@@H](C)CNC(=O)c2cc(F)c[nH]2)cc1C 1265801391 XTEFROBVGBBLHQ-LBPRGKRZSA-N 319.380 2.379 10 10 DECE CC(C)(O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1296677224 KSHKENZYXRKMIJ-UHFFFAOYSA-N 315.369 2.184 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 1627689368 KTWDRQUAGAMMOI-UHFFFAOYSA-N 314.385 2.331 10 10 DECE CC(=O)Nc1cc(C(=O)NCc2ccc(O)cc2O)ccc1C 1626837965 LSKHBSYHSMDPFV-UHFFFAOYSA-N 314.341 2.295 10 10 DECE COc1ccc(CNC(=O)c2nncc3ccccc23)c(O)c1 1556354557 NFNBUPHTFYAJTQ-UHFFFAOYSA-N 309.325 2.274 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1c1ncccn1 1557578079 GXOAYIYKVZBMQV-VUDGCMKMSA-N 311.341 2.265 10 10 DECE COc1ccc(CNCCCN(C)C(=O)C(F)F)cc1C 1569172733 ALCVTALQCJBYDO-UHFFFAOYSA-N 300.349 2.207 10 10 DECE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3CC[C@@H](C3)C2)cc1 1560179781 UTOYLKIMZKJVSX-WBVHZDCISA-N 315.461 2.491 10 10 DECE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2F)C1 1912191472 RXNYDGBPCFYFLG-MRVPVSSYSA-N 302.306 2.286 10 10 DECE O=C(NCc1c(O)cccc1O)c1ccc(OCC2CC2)nc1 1645360950 QDHNCNAEYICQPT-UHFFFAOYSA-N 314.341 2.212 10 10 DECE O=C(N[C@H]1CCc2c(O)cccc21)c1c(F)ccc(O)c1O 1654294889 MRGLPHLWYSDTCK-NSHDSACASA-N 303.289 2.360 10 10 DECE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc(Br)c(F)c1 161480516 LEMLKORNXJQFCI-VIFPVBQESA-N 316.134 2.015 10 10 DECE CCN(CC)c1ccc(CNC(=O)c2ccnnc2)cc1F 151618290 XAPAJLNIDKWPHW-UHFFFAOYSA-N 302.353 2.392 10 10 DECE C[C@H](Oc1ccc(N)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 1860080645 LKOSZHOZWIMDNN-LBPRGKRZSA-N 319.449 2.462 10 10 DECE CCN(Cc1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 1657203369 JNCZCRMVDSJFCT-LBPRGKRZSA-N 303.811 2.055 10 10 DECE C[C@@H](N)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O 1914650663 GXBWOBICQQEYDF-GFCCVEGCSA-N 300.358 2.087 10 10 DECE OC[C@H](CNCc1ccc(Br)cc1O)C1CC1 1942323074 LCLKEDXSMAONLU-NSHDSACASA-N 300.196 2.263 10 10 DECE COc1ccc([C@H]2C[C@@H](N)CN2C(=O)OC(C)(C)C)c(O)c1 1952450234 DEZNEAJEMNNDPY-ZWNOBZJWSA-N 308.378 2.410 10 10 DECE Nc1ccc(CS(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 42738915 IYQLMRJSWPDOJS-UHFFFAOYSA-N 308.325 2.125 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1nnc(Br)s1 2011527940 IXHIDHLNVHMQDE-YFKPBYRVSA-N 317.172 2.216 10 10 DECE NCc1cc(F)c(N2CCS[C@@H]3COCC[C@@H]32)c(F)c1 2170503495 JOLWCZQZIICFOH-QWHCGFSZSA-N 300.374 2.134 10 10 DECE C[C@H](C(=O)O)C1CN(Cc2c(O)cccc2Br)C1 706626912 KVYCMAIEQGILQT-QMMMGPOBSA-N 314.179 2.307 10 10 DECE CNCc1ccc(N(C)C[C@H](C)CO)c(Br)c1 688428183 YKYBGKOIYDOBKM-JTQLQIEISA-N 301.228 2.233 10 10 DECE CC(C)(O)[C@@H]1CCN1c1ccc(CN)c(Br)c1F 2071161069 VAVVITTWUWDLTF-JTQLQIEISA-N 317.202 2.397 10 10 DECE Cc1ccc(Cn2cnc(C(=O)O)c2)c(O)c1Br 2327799847 BEGVTBDLDKQRMW-UHFFFAOYSA-N 311.135 2.406 10 10 DECE CO[C@H]1COCCN(Cc2cccc(Br)c2O)C1 2326670136 SJNBHSYOIBCKDV-LLVKDONJSA-N 316.195 2.002 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)cc1 68349867 ABMFCAZBNQNHAM-CQSZACIVSA-N 318.417 2.159 10 10 DECE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cc(F)c(F)cc1F 2362981534 PCVKXIYNOUVLES-UHFFFAOYSA-N 308.285 2.425 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@@H](SCCOc2ccc(N)cc2)C1 2367854668 AIOBZBPDIMGRHU-ZIAGYGMSSA-N 315.460 2.347 10 10 DECE CN(C)c1ccc(/C=C\C(=O)O[C@H]2C(=O)OCC2(C)C)cc1 96189996 XAQDQRWXKWKKSY-XMELGKRDSA-N 303.358 2.261 10 10 DECE CC[C@@H](CO)N1CCN(Cc2ccc(N(CC)CC)cc2)CC1 93740381 UJTAJHDKYVPNKO-SFHVURJKSA-N 319.493 2.421 10 10 DECE CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@H](CC)C2)c1 245733088 KCWBYYWTDVYEPZ-GOEBONIOSA-N 322.449 2.068 10 10 DECE CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@H]2C)c1 249193626 ANEKCOBGHQBHSB-CQSZACIVSA-N 322.449 2.068 10 10 DECE 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COc1ccc(N2CC[C@@H](Nc3ncnc(N)c3Cl)C2)cc1 853759480 VFDUFKUOXHKAPN-SNVBAGLBSA-N 319.796 2.412 10 10 DECE CC(C)(CCC(=O)NCc1ccc2cccnc2c1O)[N+](=O)[O-] 862026373 LYXKWFWQBTUCDA-UHFFFAOYSA-N 317.345 2.392 10 10 DECE O=C(NCc1ccc(O)c(O)c1)C1([C@@H]2CCCCO2)CCC1 866769703 ONJWZLUEZNSYSB-HNNXBMFYSA-N 305.374 2.453 10 10 DECE CCC[C@H](C)C(=O)NCCNC(=O)N[C@@H](C)c1ccccc1O 868646430 REYBQIVFURHCFE-STQMWFEESA-N 321.421 2.305 10 10 DECE Cc1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)o1 862393106 YMBHZEXTVOVWEZ-UHFFFAOYSA-N 323.343 2.388 10 10 DECE COc1ccc(N2CCN(C(=O)C3(CF)CCC3)CC2)cc1 1118270456 DPPFVWSWUJSUOT-UHFFFAOYSA-N 306.381 2.484 10 10 DECE Cc1ccc(C)n1-c1ccsc1C(=O)NCCOCCCO 1117298588 QDFKQSKMRUDXKZ-UHFFFAOYSA-N 322.430 2.284 10 10 DECE C[C@@H](NCCC1CS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 786946636 CEXZPALWKZCMPQ-GFCCVEGCSA-N 323.458 2.356 10 10 DECE Cc1cc(O)c(CN[C@H]2CC(=O)N(CC3CC3)C2)cc1Cl 895716614 KBBRCANBARYAJE-ZDUSSCGKSA-N 308.809 2.455 10 10 DECE CC(C)(C)OC(=O)NC[C@H]1CCN1Cc1cc(N)ccc1O 1959540993 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310.463 2.154 10 10 DECE COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](C)O)c1C 1874029485 AXLLTFVCSXIWCU-GFCCVEGCSA-N 302.374 2.213 10 10 DECE C[C@H](c1cc(Br)ccc1O)N(C)[C@H]1CCNC1=O 1916801267 UJNGTJFOOFBQED-KCJUWKMLSA-N 313.195 2.036 10 10 DECE CCCCN(C)S(=O)(=O)N(C)[C@@H](C)c1ccccc1O 2145850713 GNDPNCDIRYQWNY-LBPRGKRZSA-N 300.424 2.362 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C(NCc3ccc(F)cc3O)[C@@H]2C1 1994520419 KIJHTRPFWJUEMI-CHWSQXEVSA-N 322.380 2.486 10 10 DECE Nc1ccc(CS(=O)(=O)NC2CC(C(F)(F)F)C2)cc1 2153239800 QEOYWEJBWRLGIU-UHFFFAOYSA-N 308.325 2.029 10 10 DECE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2nncn2C1 2159984548 OGBFZNMIGNEADT-SNVBAGLBSA-N 313.188 2.395 10 10 DECE CNCc1ccc(N2CCC(S(C)(=O)=O)CC2)cc1Cl 380767815 RADHXAGUFXNBFJ-UHFFFAOYSA-N 316.854 2.073 10 10 DECE CN(C[C@H]1CCCCS1)S(=O)(=O)Cc1ccc(N)cc1 718434958 ADYFCDUTWMULTE-CQSZACIVSA-N 314.476 2.316 10 10 DECE CC(=O)c1cc(Cl)cc(CN2C[C@@H](F)[C@H](CO)C2)c1O 2177126655 BEUYPOQGPIQGNB-GXFFZTMASA-N 301.745 2.010 10 10 DECE 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DECE CCc1ccccc1CNS(=O)(=O)Cc1ccc(N)cc1 84197637 OVDVDAQVSBKHGI-UHFFFAOYSA-N 304.415 2.451 10 10 DECE Cc1ccc(O)c(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1 92079740 AOKBIWWDNCHRGS-HNNXBMFYSA-N 304.434 2.386 10 10 DECE NCCCN(C=O)C(=O)N(c1ccccc1)c1ccc(N)cc1 242991350 HUDZQBWNYQZHPM-UHFFFAOYSA-N 312.373 2.334 10 10 DECE CCn1ccnc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 298270723 BEJUXIFITOBWSL-UHFFFAOYSA-N 319.384 2.108 10 10 DECE CN1CCCc2cc(CN[C@@H]3CCC(=O)NC3(C)C)ccc21 813856996 PSRMFGGAXJRLAP-MRXNPFEDSA-N 301.434 2.216 10 10 DECE NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C2CCC2)cc1 824030577 IMEQLYBQGCYMSF-CQSZACIVSA-N 316.361 2.490 10 10 DECE C[C@H]1CN(CCNC/C=C\c2ccc(N(C)C)cc2)CCO1 835039254 YXVORAXKIFWMBC-AWFCHZOYSA-N 303.450 2.076 10 10 DECE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1 901277864 ZYUJFKHUHAXOSO-UHFFFAOYSA-N 320.414 2.479 10 10 DECE C[C@@H]1C(=O)N(C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F 843435715 RMQWNRRCYNNXKX-SNVBAGLBSA-N 315.339 2.391 10 10 DECE C[C@@]1(F)CNCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 843125206 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2.399 10 10 DECE CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C(=O)OCC 1139409453 RJMGMIAPMJXEAI-ZVTBTPLYSA-N 321.373 2.301 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3c(O)cccc3F)[C@H]2C1 1964042101 DUMQDQCMRRHTHN-JYAVWHMHSA-N 322.380 2.486 10 10 DECE COC(=O)CCC1(NC(=O)c2cccc(O)c2O)CCCCC1 1178789049 CCISUYGILCBDBM-UHFFFAOYSA-N 321.373 2.484 10 10 DECE CC(=O)N1CCC(Nc2c(N)cccc2Br)CC1 689497323 SQPZVEBFRRMIMD-UHFFFAOYSA-N 312.211 2.454 10 10 DECE Nc1ccc(CCc2nnc3ncc(Br)cn23)cc1 690899171 IBLVFONTXZNIKU-UHFFFAOYSA-N 318.178 2.254 10 10 DECE Oc1cc(Br)ccc1CN1CCN(CCF)CC1 691677496 NOKRVBIQZGAOAG-UHFFFAOYSA-N 317.202 2.242 10 10 DECE CN(C)[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1 1348048482 UIOGAFXOZSRKMM-HNNXBMFYSA-N 314.385 2.407 10 10 DECE O=C(/C=C\c1cncc(O)c1)NCc1ccc2cccnc2c1O 1299721609 MZEHCMBEOSCCIW-UTCJRWHESA-N 321.336 2.371 10 10 DECE Cn1cc(CC(=O)NCc2ccc(O)cc2O)c2ccccc21 1451772510 XERAIEBBLUHNOV-UHFFFAOYSA-N 310.353 2.448 10 10 DECE Cc1nc2ccnn2cc1C(=O)NCc1ccc(N(C)C)cc1 1290249819 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CC[C@@H]1C(=O)NCCN1c1ccc(/C=C/C(=O)O)cc1Cl 164384525 KJZUYEMEDGKJGI-FVOPLDGLSA-N 308.765 2.153 10 10 DECE COc1cc(Cl)cc(CN2CC[S@](=O)C[C@@H]2C)c1O 1970343622 FLJJRYDWGZMPPE-UGZDLDLSSA-N 303.811 2.007 10 10 DECE CN(Cc1cc(Br)cc(F)c1O)C[C@@H]1CCN1 1940356549 RELLOHPAVLMPRD-JTQLQIEISA-N 303.175 2.088 10 10 DECE COC(=O)[C@@H]1CCN[C@H](c2cccc(Br)c2O)C1 1952537187 JVSMTWVHBCWEJU-KCJUWKMLSA-N 314.179 2.368 10 10 DECE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1Cc1ccc(O)c(O)c1 1952610390 GERUAPYFNZCFKV-STQMWFEESA-N 322.405 2.367 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C[C@@H](N)Cc1ccc(O)c(O)c1 1952999611 ZHRQSBYUJJJRFP-RWMBFGLXSA-N 322.405 2.271 10 10 DECE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc(N)cc1 1977681398 YHPRMYULKGMIHX-LBPRGKRZSA-N 321.421 2.231 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2145047147 DPWJWPJLGHUWKM-GPCCPHFNSA-N 315.822 2.017 10 10 DECE Oc1c(Br)cccc1CNOC1CCOCC1 2017831932 MZYRTLJQYWCXTI-UHFFFAOYSA-N 302.168 2.355 10 10 DECE C[C@@H]1CCN(c2ccc(CO)cc2Br)C[C@H]1CO 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[N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 2185659410 GKOYNDXBMNROPQ-MRVPVSSYSA-N 302.306 2.286 10 10 DECE CC1(C)C[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)CCN1 2199688636 GOQUSZQQZWGENA-SNVBAGLBSA-N 318.826 2.318 10 10 DECE Nc1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 2191766659 ZBFWQAYFNFHDRS-UHFFFAOYSA-N 300.286 2.053 10 10 DECE C[C@@H](CCS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1O 2104455991 KIHCYIGBEKJKIN-JTQLQIEISA-N 305.827 2.301 10 10 DECE CN[C@H](C)c1ccc(N2CC3(CN(C)C3)C2)cc1Br 2095940503 WLPLVYDATWNQOE-LLVKDONJSA-N 324.266 2.481 10 10 DECE C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Cl)c1 2206700270 DNUZDMSGHWNMMR-ZETCQYMHSA-N 324.780 2.186 10 10 DECE Oc1cc(Br)ccc1CNCCN1CC[C@H]2C[C@H]21 2261361110 LTYLVZUPQSEXPD-GXFFZTMASA-N 311.223 2.339 10 10 DECE CSc1ncc(CNC(=O)CC2(C(=O)O)CCC2)s1 2269118679 LBWIFNVFGMSTQT-UHFFFAOYSA-N 300.405 2.126 10 10 DECE Cc1ccc(CNC(=O)CC2COC2)c(O)c1Br 2327593670 FZAFFLMMUSAIOJ-UHFFFAOYSA-N 314.179 2.116 10 10 DECE CNCc1ccc(N2CC[C@@H]([C@H](C)O)C2)c(Br)c1 300495216 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CON(C)C1CN(c2ccc([C@H](C)O)cc2Br)C1 2028062642 WBGFPBKTWNOGCD-VIFPVBQESA-N 315.211 2.184 10 10 DECE CCC[C@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 70544305 QCIMOSDMQHXZBC-LBPRGKRZSA-N 300.424 2.098 10 10 DECE CN(C[C@@]1(C)COCCO1)c1cc(Cl)c(CN)cc1F 2177388376 MNCBQMAEKXDAAA-AWEZNQCLSA-N 302.777 2.180 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C(N(C)C)[C@H]3C2)cc1Br 384884455 JGZCJGWMELATCE-XDTLVQLUSA-N 324.266 2.465 10 10 DECE CCN(c1ccc([C@@H](C)N)cc1F)[C@@H](C)CS(C)(=O)=O 2170402248 FNHFGSRWSLALGG-WDEREUQCSA-N 302.415 2.105 10 10 DECE C[C@@H](O)c1ccc(N2CCN(C)[C@H]3C[C@H]32)cc1Br 2049410314 ZBVSTXJNMPFPPA-BIGNPOOSSA-N 311.223 2.395 10 10 DECE CC1(C2CCN(c3ccc(CN)c(F)c3F)CC2)OCCO1 2089560804 HOWHFJJJXWGFSW-UHFFFAOYSA-N 312.360 2.403 10 10 DECE CCCN(CCC)S(=O)(=O)NCc1cccc(C)c1O 2204611994 ZNZYRAWIBOVIQE-UHFFFAOYSA-N 300.424 2.157 10 10 DECE CCCOC(=O)CN1C(=O)C(=Cc2ccccn2)SC1=S 2297465415 ALIXHFFENZEGFS-UHFFFAOYSA-N 322.411 2.236 10 10 DECE C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 318810037 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CCCCC[C@@H](O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227254 WSEMYCCEAXVPHD-WMLDXEAASA-N 320.433 2.331 10 10 DECE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccnnc1 926853969 KDOHDCQFTWTANA-OAHLLOKOSA-N 311.433 2.079 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCN1C(C)(C)C 935944993 HAGAMQIBEJJSTJ-LBPRGKRZSA-N 311.422 2.367 10 10 DECE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCc2n[nH]cc21 862027185 LLJCSEXIPYTAJS-CYBMUJFWSA-N 322.368 2.400 10 10 DECE OCc1ccc(N2CC(N3CCCC3)C2)cc1Br 697794040 RZTKUYZJSJVORQ-UHFFFAOYSA-N 311.223 2.226 10 10 DECE CO[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccc(O)cc1 765984244 YQCZAGILLOQGHN-MRXNPFEDSA-N 301.342 2.444 10 10 DECE COC[C@@H](C)OC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 866429174 DLXXJFISQAYWEH-CQSZACIVSA-N 322.405 2.127 10 10 DECE CC(C)(C)C(=O)NCCCC(=O)N1Cc2cccc(O)c2C1 871199442 XLXAWETZHWOKID-UHFFFAOYSA-N 304.390 2.177 10 10 DECE O=C(CCN1C(=O)CSC1=S)Nc1ccc(F)cc1F 1865767972 GEFDUAGTKYLHPF-UHFFFAOYSA-N 316.354 2.154 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(O)cc2)c1 772453038 KLYDDEXZAZHPQL-NSHDSACASA-N 317.341 2.363 10 10 DECE COC(=O)[C@H](CC1CCOCC1)NCc1cc(C)c(C)cc1O 895591317 NRHVHZHYVCCPQT-INIZCTEOSA-N 321.417 2.457 10 10 DECE CC(C)Oc1ccc(NC(=O)NCc2ccccc2O)nn1 794312885 MFKDBSQELJSZTI-UHFFFAOYSA-N 302.334 2.291 10 10 DECE CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1137486085 ORFCONSGIKLWJT-SNVBAGLBSA-N 320.349 2.261 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ncn(C)c2n1 1135689548 HJUQMTIZSDPQCL-UHFFFAOYSA-N 323.400 2.307 10 10 DECE CN(CCN=[N+]=[N-])C(=O)CSCCNC(=O)OC(C)(C)C 1885557236 MHFRICVPOTULLR-UHFFFAOYSA-N 317.415 2.013 10 10 DECE O=C(NCc1cccc(Cl)c1O)C(=O)c1ccc(O)cc1 1305084878 ONWYTQRSSXAURT-UHFFFAOYSA-N 305.717 2.250 10 10 DECE CCN1C(=O)NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1=O 1084174152 PCGOTLAIXVTCIV-KAMYIIQDSA-N 315.373 2.015 10 10 DECE CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2c(O)cccc2F)C1(C)C 1312370745 WYDSFXSNBXWAPZ-OWYVNGRQSA-N 310.369 2.390 10 10 DECE CN(C)c1ccc(/C=C/C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 41530436 LHDDTPAHVNVDMY-RUJXFNLJSA-N 313.445 2.463 10 10 DECE CC(C)OC(=O)CNCc1c(O)cccc1Br 706835604 BFIULYRVMQNWGD-UHFFFAOYSA-N 302.168 2.196 10 10 DECE COc1cc(CNCc2ccco2)ccc1N(C)CC(=O)O 212682427 XLGALOLKPWSQKR-UHFFFAOYSA-N 304.346 2.099 10 10 DECE O=C(O)CCC(=O)C(=O)c1cc(Br)ccc1F 217262164 JKQSCPPXZCCVIW-UHFFFAOYSA-N 303.083 2.205 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)c2ccsn2)cc1C 1713319314 YPMKQVKFJMQAHX-GFCCVEGCSA-N 319.430 2.368 10 10 DECE CCc1ncc(Cl)c(C(=O)NCc2ccc(OC)cc2O)n1 1568098072 UNWCKYNIDMYEPN-UHFFFAOYSA-N 321.764 2.337 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CCCO2)cc1C 1491979057 GFJVYKZXJVZHFG-WMLDXEAASA-N 320.433 2.167 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1564686661 VRXOJQDBLLQATI-FVQHAEBGSA-N 315.417 2.073 10 10 DECE CC(C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)nc1 1644754256 TWMWHMCWPUWWQR-UHFFFAOYSA-N 302.330 2.210 10 10 DECE C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C 1587223276 JGVVTRIOOKAMIO-GXFFZTMASA-N 303.366 2.062 10 10 DECE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1586980370 WCNAYAYSBCIIDL-AWEZNQCLSA-N 319.332 2.283 10 10 DECE O=[N+]([O-])c1c[nH]cc(Cl)c1=NCCc1ccc(O)c(O)c1 1651593014 WEGSRDWAFUJGII-UHFFFAOYSA-N 309.709 2.131 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1COC(=O)C1 1585264749 XFDWVVMYTPJCMS-KGLIPLIRSA-N 318.417 2.061 10 10 DECE O=C(O)c1cc(Cl)cc(NC(=O)c2cc(O)nc(O)c2)c1 166547450 HQXWXGNVANMERA-UHFFFAOYSA-N 308.677 2.097 10 10 DECE CCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1873839279 DSDMLAJGFAKOQN-UHFFFAOYSA-N 318.332 2.464 10 10 DECE CCn1c(C2=C[C@H](O)[C@@H](N)C2)nc2cc(Br)ccc21 2131474992 NHTGGYBLFBPINR-GWCFXTLKSA-N 322.206 2.294 10 10 DECE CNCc1ccc(N2CC[C@](F)(CO)C2)c(Br)c1 1917083859 HDFZAQQYEZYPCJ-CYBMUJFWSA-N 317.202 2.079 10 10 DECE C[C@]1(CNCc2ccc(Br)cc2O)COCCO1 1967800831 ZZRBZLVZCZYSRM-ZDUSSCGKSA-N 316.195 2.050 10 10 DECE C[C@H](O)c1ccc(N2CC(CCO)C2)c(Br)c1 1946931504 QVSLWCLICFPWTQ-VIFPVBQESA-N 300.196 2.321 10 10 DECE CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc([N+](=O)[O-])cc1O 1952056728 HSXQUZXQFRBKDC-LBPRGKRZSA-N 323.349 2.182 10 10 DECE CS(=O)(=O)c1cnc(NCc2ccc(N)cc2)c(Cl)c1 2149660997 GNVIUHOLGWBXKP-UHFFFAOYSA-N 311.794 2.333 10 10 DECE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Cl)C[C@@H](C)S1(=O)=O 400845055 NFAVAYHDQHTKMF-OUAUKWLOSA-N 316.854 2.372 10 10 DECE Nc1ccc(CCNc2cnnc(O)c2Br)cc1 2043975098 WLUBYCGHJJLQDT-UHFFFAOYSA-N 309.167 2.182 10 10 DECE BrC1(COc2ccc(N3CCNCC3)cc2)CC1 2049245523 SEMSDCGSDGDLED-UHFFFAOYSA-N 311.223 2.403 10 10 DECE CN(C[C@@H]1[C@H]2CCO[C@@H]12)c1ccc(CN)cc1Br 2056397768 QHCFXJRKYGZFAI-JTNHKYCSSA-N 311.223 2.379 10 10 DECE CC[C@H](C)NCc1cnc(SCCS(C)(=O)=O)s1 2223631937 CRPIJVMPZUTMJK-VIFPVBQESA-N 308.494 2.168 10 10 DECE CC[C@H](NCCCS(=O)(=O)C(F)F)c1ccccc1O 2237642036 NQHINNOSXYYKQJ-NSHDSACASA-N 307.362 2.460 10 10 DECE COc1cc(C=C2SC(=S)N(C)C2=O)cc(OC)c1O 2293653498 WPWMOCDYLDVBRD-UHFFFAOYSA-N 311.384 2.240 10 10 DECE Cc1ccc(CN2CC3(CC[C@@H]3O)C2)c(O)c1Br 2327629284 NUNWVNAFTZPJOT-NSHDSACASA-N 312.207 2.420 10 10 DECE Cc1nnc(SCCCC(=O)Nc2ccc(N)cc2)n1C 110353932 DNKULCGQNGBGEY-UHFFFAOYSA-N 305.407 2.217 10 10 DECE Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)c1 179484714 XSKNEZZPMXKCHX-ZDUSSCGKSA-N 315.373 2.388 10 10 DECE COc1cccc(CCNC(=O)Nc2cc(O)c(O)c(O)c2)c1 217278990 KHRRSVZWBFTWHW-UHFFFAOYSA-N 318.329 2.176 10 10 DECE COc1ccc(N2CCN(C(=O)C3=CCCCO3)CC2)cc1 72796207 AZRSLICPBCSKSB-UHFFFAOYSA-N 302.374 2.038 10 10 DECE [N-]=[N+]=NCCNC1(C(=O)O)CCN(Cc2ccccc2)CC1 380886959 QOVPNWKFQZTYRD-UHFFFAOYSA-N 303.366 2.006 10 10 DECE NCc1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)c(C(F)(F)F)c1 228063279 IRWVEWVOHDMZQG-MISXGVKJSA-N 300.324 2.371 10 10 DECE C[C@@H](CNCc1ccc(Br)cc1O)[S@](C)=O 700994773 RWVGBNFRXKFOFN-PWJLMRLQSA-N 306.225 2.011 10 10 DECE CCN[C@@](CSc1nccs1)(C(N)=O)[C@@H]1CC12CCC2 2371094640 BLYVYUHVNRJLCO-QMTHXVAHSA-N 311.476 2.259 10 10 DECE O=C(c1cccnn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 528881588 ISUXIIVEUQNYOX-AWEZNQCLSA-N 313.357 2.004 10 10 DECE CN1CCCc2cc(CNC(=O)/C=C\c3ccnn3C)ccc21 255540837 ZGZITJAIVGCBOK-VURMDHGXSA-N 310.401 2.132 10 10 DECE CC(=O)C(=O)COC(=O)c1ccccc1CCC(F)(F)F 808531577 VAABLKBQPGRWDC-UHFFFAOYSA-N 302.248 2.496 10 10 DECE C[C@@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 804975747 SCLKDPQWLMGDQQ-CZUORRHYSA-N 303.406 2.121 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)Cc1cn(C)nc1Cl 814411872 ROEOFVDPUYIHRJ-UHFFFAOYSA-N 320.824 2.307 10 10 DECE Cc1cc(Br)cc(CN(C)CC2CN(C)C2)c1O 827124822 FGOAMSSWYUENGB-UHFFFAOYSA-N 313.239 2.457 10 10 DECE CN(C)c1ccc(/C=C/CNCC(C)(C)N2CCOCC2)cc1 835033300 FFCPTIWWNRBFSW-AATRIKPKSA-N 317.477 2.466 10 10 DECE COc1cc(C)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1O 754739819 BVXRQAKVIOOPRW-GFCCVEGCSA-N 305.296 2.472 10 10 DECE CCCCN(C)C[C@H](C)NC(=O)NCc1c(O)cccc1F 922510675 OVAGYPWWRWBQIP-LBPRGKRZSA-N 311.401 2.451 10 10 DECE Nc1ccc(CCNC(=O)[C@H]2COC[C@H]2c2ccccc2)cc1 851631459 CKPSYBJGDWXGQS-ROUUACIJSA-N 310.397 2.358 10 10 DECE O=S1(=O)Cc2ccccc2[C@@H](NCc2ccccc2O)C1 857060738 FOMXKUDPLUOJLT-HNNXBMFYSA-N 303.383 2.152 10 10 DECE CON1CCC(CC(=O)NCc2ccc(N(C)C)cc2)CC1 854271845 SAMCGXJNYJFIRG-UHFFFAOYSA-N 305.422 2.032 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 935944472 UINGRYAIIYUBTR-LRDDRELGSA-N 310.390 2.309 10 10 DECE COc1ccc(O)c(CNC(=O)Nc2cnn(C)c2C2CC2)c1 771234584 OATUOCWUTCGKOG-UHFFFAOYSA-N 316.361 2.333 10 10 DECE CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C 870988722 XUJGFGZDDDFKJU-KHIZAZIESA-N 306.406 2.102 10 10 DECE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C)cc(OC)c1O 894532016 HHVDINOWEMYHNA-BJJXKVORSA-N 319.401 2.483 10 10 DECE CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 897855521 BKGLWPXMWZFQEA-GFCCVEGCSA-N 307.371 2.467 10 10 DECE C[C@@H]1CC[C@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897996134 MYYRHWGADSGPPZ-SCZZXKLOSA-N 307.371 2.298 10 10 DECE CC(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)c(O)n1 1137443674 YMEIPURNIFRLLH-UHFFFAOYSA-N 302.330 2.252 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccccc1Cl 1137390808 AARYHUQOGCQRAC-OAHLLOKOSA-N 321.760 2.144 10 10 DECE COc1ccc(CNC(=O)C(C)(C)COCC(F)F)c(O)c1 794388293 VSUKAYJEVMXZER-UHFFFAOYSA-N 317.332 2.325 10 10 DECE COC(=O)[C@H](CC(C)C)N1CCN(c2ccc(OC)cc2)CC1 795855595 NFGYYIWHDWMTAZ-KRWDZBQOSA-N 320.433 2.405 10 10 DECE COC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 792533453 AHPUCQAZWLDAOV-FNORWQNLSA-N 319.357 2.103 10 10 DECE Cc1cccc(CN2CCc3nc[nH]c3C23CCOCC3)c1O 895071969 ZMTYKROZBDPVAQ-UHFFFAOYSA-N 313.401 2.488 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1cccc(O)c1O 1959193112 QYHLJRXHPBSACV-UOWOHEGISA-N 306.362 2.107 10 10 DECE CCn1ccnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1159753687 SLHPTWBCUKKSIY-UHFFFAOYSA-N 317.370 2.459 10 10 DECE C[C@H]1CNc2cc(N3CCNCC3)cc(Br)c2O1 62564370 XKSZPFNMOHYLTF-VIFPVBQESA-N 312.211 2.052 10 10 DECE C[C@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)/C=C\c1ccc(O)c(O)c1 1329650906 BQLQTORACSXDNU-HDMNMKODSA-N 301.342 2.080 10 10 DECE COC(OC)[C@@H](C)N(C)c1ccc(CN)cc1Br 714705911 KAARZOGQVDFGCB-SECBINFHSA-N 317.227 2.351 10 10 DECE CN1CCCc2cc(CN[C@H]3CCCC34OCCO4)ccc21 715726138 NPIJABDTQCEXFJ-KRWDZBQOSA-N 302.418 2.454 10 10 DECE CCCCN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1267026445 NWFYRIXYEQOPTM-AWEZNQCLSA-N 317.393 2.453 10 10 DECE O=C(NCc1ccc(O)cc1O)c1cc(-c2ccccn2)no1 1299574970 UYCFNOFTNMWORN-UHFFFAOYSA-N 311.297 2.078 10 10 DECE CC(C)(C)OC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1455601095 NIYDKYOYXFPVNH-ZDUSSCGKSA-N 307.390 2.446 10 10 DECE C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1465900111 NQQGATRHLYQTCH-HZMBPMFUSA-N 315.377 2.062 10 10 DECE C[C@](O)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 1471355136 BFTRHXCSIMZEOW-QGZVFWFLSA-N 301.317 2.281 10 10 DECE CC(C)C[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCO1 1637260818 QCDYJHMJRZPHSD-KGLIPLIRSA-N 307.390 2.350 10 10 DECE O=C(NCc1ccc2cccnc2c1O)c1cnn(C2CC2)c1 1639624579 BAVIUHLTWTVTRO-UHFFFAOYSA-N 308.341 2.402 10 10 DECE CCn1cc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1567467394 IMLKQYJGBLSKKU-VIFPVBQESA-N 323.780 2.329 10 10 DECE Cc1cnc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCC2)[nH]1 1650880011 IBTHSKHKFCXULK-GQCTYLIASA-N 313.357 2.338 10 10 DECE Cn1nnc(CNCc2c(O)cccc2Cl)c1C(F)F 1966032625 RQMBRYXCXFGXDD-UHFFFAOYSA-N 302.712 2.402 10 10 DECE CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(F)cc2)C1=O 11635575 JIZVXEQBDICSKL-SNVBAGLBSA-N 312.391 2.403 10 10 DECE C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C)O1 154687425 XVMGPDOMDYYOSZ-GHMZBOCLSA-N 315.464 2.444 10 10 DECE Cc1cc(C)c(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c(C)c1 1857878753 LDGDKTKAUKBSQS-UHFFFAOYSA-N 322.372 2.422 10 10 DECE C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O 227609473 MXIXRSQPDWHRNY-JTQLQIEISA-N 308.378 2.368 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1cc(O)ccc1O 1952219245 MFPKANLGNXRYAJ-CYBMUJFWSA-N 308.378 2.369 10 10 DECE CC(C)(C)OC(=O)NC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC1 1980368993 FFOXSPJJDHEWHG-HAQNSBGRSA-N 324.421 2.090 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 1985106267 XNKUYNVXKODRHD-KXNHARMFSA-N 323.397 2.304 10 10 DECE CC(C)(C)OC(=O)N1CCC=C[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985691809 OFDJBPZVNSJURY-NWDGAFQWSA-N 321.381 2.463 10 10 DECE Nc1snnc1-c1nc(-c2snc3ccccc23)no1 2159956292 KJYVKLNHSKURFZ-UHFFFAOYSA-N 302.344 2.447 10 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CO[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1894884090 HWMNLPGDTHYNSR-ZLDLUXBVSA-N 322.405 2.416 10 10 DECE O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1cc(O)cs1 1180577215 GQFCGHKZMLNQOZ-SECBINFHSA-N 311.309 2.465 10 10 DECE C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1c(O)cccc1O 1558534565 UVQZWSUKQGNOAF-KZULUSFZSA-N 315.369 2.269 10 10 DECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc[nH]c2nccc1-2 1568737894 RRLSWSNHSZVCEC-UHFFFAOYSA-N 317.345 2.031 10 10 DECE CCc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)co1 1636817176 WIKBDXMXMNBHKP-UHFFFAOYSA-N 301.306 2.329 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(c1)ncn2C 160035637 JQYCNYNJAGAKEM-UHFFFAOYSA-N 323.400 2.307 10 10 DECE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H](C)[C@H]1C 151032844 OYPLCWLRTARRIC-NEPJUHHUSA-N 313.357 2.500 10 10 DECE Nc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1865976988 NGZSZFIAQUGQAE-UHFFFAOYSA-N 315.295 2.008 10 10 DECE COCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928469254 GHYLFKAEWIGMMI-JSGCOSHPSA-N 310.394 2.322 10 10 DECE 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317.202 2.478 10 10 DECE CC(C)(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncccn1 2064027788 OYFGUCYTZBVFET-HNNXBMFYSA-N 315.373 2.334 10 10 DECE CCS(=O)(=O)[C@H]1CCN([C@@H](C)c2ccc(F)cc2O)C1 2179904491 HFMFJBHVPZVYNE-JQWIXIFHSA-N 301.383 2.101 10 10 DECE Cc1ccc(Cn2nc(CN)c(N)c2C(F)(F)F)c(O)c1 2079182683 ZACIOTZXQZRTSX-UHFFFAOYSA-N 300.284 2.005 10 10 DECE NCc1cc(F)c(N2CC[C@@H]3C[C@]3(O)C2)cc1Br 2051363241 RLDVAEKKHUOJFO-RNCFNFMXSA-N 315.186 2.008 10 10 DECE NCc1ccc(N2CC=CC[C@H]2CO)c(F)c1Br 2056278382 WXESHNPCEOBERO-JTQLQIEISA-N 315.186 2.174 10 10 DECE NCc1ccc(N2CCc3nnccc3C2)cc1Br 2104955802 GXNULLSGRBLKEP-UHFFFAOYSA-N 319.206 2.261 10 10 DECE COC1(OC)CCN(c2ccc(CN)cc2Br)C1 2067498815 PTZZYYCPHYRWCC-UHFFFAOYSA-N 315.211 2.107 10 10 DECE C[C@H](N)c1ccc(N2[C@H]3C[C@H]2CN(C)C3)c(Br)c1 2067428850 WCRHZIQZQALIKE-DLOVCJGASA-N 310.239 2.362 10 10 DECE COc1cccc(O)c1CNCC1CCC2(CC1)OCCO2 2104440842 XRWXVASNJMVGNF-UHFFFAOYSA-N 307.390 2.424 10 10 DECE CCO[C@@]1(CSc2ncc(C[C@H](C)N)s2)CCOC1 2271597506 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COC(=O)c1ccc(O)c([C@H]2NC(=O)c3ccc(F)cc3N2)c1 726797047 WVTQGAWJQQAEFD-CQSZACIVSA-N 316.288 2.172 10 10 DECE O=C(NCCCSc1nccs1)N[C@H]1CCn2ccnc21 838513662 CLOVXTFOBVKWDF-JTQLQIEISA-N 323.447 2.266 10 10 DECE C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](C(=O)O)C1(C)C 849366333 RGRADXHZJFFNDO-LEWSCRJBSA-N 304.390 2.063 10 10 DECE CN(C)c1ccc(/C=C\CN[C@H](CO)[C@H]2CCCOC2)cc1 840964607 YQNYPQNCEGELIX-ODMBXXLQSA-N 304.434 2.143 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)NCCCCF)C2)cc1 852348720 OGTYHVXRDNWXOJ-ZDUSSCGKSA-N 309.385 2.323 10 10 DECE COC(=O)[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 862487262 NDXOMONHQXBWBN-SWFLQVRRSA-N 318.417 2.028 10 10 DECE OCC[C@@H]1CSCCN1Cc1cc(Cl)cc(F)c1O 775738033 YIWHGBWHRKPHIK-LLVKDONJSA-N 305.802 2.485 10 10 DECE CN(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 788476939 HRZNLMUALRRATC-UHFFFAOYSA-N 320.370 2.282 10 10 DECE COc1ccc(CNC(=O)NCCCc2ccccn2)c(O)c1 793109793 DNMAIQGWPLPJLO-UHFFFAOYSA-N 315.373 2.228 10 10 DECE Cc1nc2ccccc2n1CC(=O)NCc1c(O)cccc1O 1156881158 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DECE CC[C@@H]1C[C@](NCCN=[N+]=[N-])(C(=O)O)CN1Cc1ccccc1 1912188629 QAGFVMGQLFRJNJ-GDBMZVCRSA-N 317.393 2.394 10 10 DECE Cn1nc(Br)cc1C(=O)N1Cc2cccc(O)c2C1 1587929049 VZZWHSKDKILPNJ-UHFFFAOYSA-N 322.162 2.044 10 10 DECE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([C@@H](N)c2ccccc2O)O1 1936985298 UDXFXWXBRYAIHX-GLQYFDAESA-N 322.405 2.464 10 10 DECE CC(C)(C)OC(=O)NCCC=C[C@@H](N)Cc1ccc(O)c(O)c1 1952894328 SYOJOOMADFLEAZ-CYBMUJFWSA-N 322.405 2.439 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C2(CC2)C1 1985093539 AXDPEQYGBSEIDM-LLVKDONJSA-N 321.381 2.155 10 10 DECE Oc1cc(Br)ccc1CN1CCC[C@@]12CCNC2 2028114569 IEYBUNWOOGTOOL-AWEZNQCLSA-N 311.223 2.483 10 10 DECE COCCNCc1cnc(Sc2nc(C)ns2)s1 2037793138 GVYUJZNJUZODLI-UHFFFAOYSA-N 302.450 2.190 10 10 DECE CP1(=O)CCN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC1 2171995963 IPEOOHZUZIZTMQ-GFCCVEGCSA-N 314.709 2.138 10 10 DECE CNCc1ccc(N2CC=C(CO)CC2)cc1Br 2051351942 LRJRPKNWPYYWAC-UHFFFAOYSA-N 311.223 2.297 10 10 DECE CC[C@H]1CN(c2ccc(CO)cc2Br)C[C@@H]1CO 2084893643 MUZNGRIKXMGCGW-NWDGAFQWSA-N 314.223 2.396 10 10 DECE CC(C)(C)OC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1 2210543163 YNKQPTOWBHNHDU-QWRGUYRKSA-N 324.385 2.136 10 10 DECE CSc1ncc(CN=c2nc(C(=O)O)c(Cl)c[nH]2)s1 2269092559 IURODAVWEKMEPF-UHFFFAOYSA-N 316.795 2.041 10 10 DECE COC[C@@](C)(CO)N(C)c1cc(Cl)c(OC)cc1OC 2285873844 SOZYYQCGNKREKK-CQSZACIVSA-N 303.786 2.191 10 10 DECE CS(=O)(=O)c1cscc1CN1CCC[C@@H]1CN=[N+]=[N-] 2272887646 WTLSADYRJRNDKI-SNVBAGLBSA-N 300.409 2.426 10 10 DECE CSc1ncc(CNC(=O)[C@]2(C)CC[C@@]2(C)C(=O)O)s1 2284539477 TZTZOWZOUCFFNY-STQMWFEESA-N 314.432 2.372 10 10 DECE CSc1ncc(CNC(=O)N(C)C2(CC(=O)O)CC2)s1 2284505279 TZJHKPCVCBRSTO-UHFFFAOYSA-N 315.420 2.014 10 10 DECE Cc1nn(C)c(C)c1CNC(=O)C=Cc1ccc(N(C)C)cc1 2320615734 VPJLGOWQWMPJBT-UHFFFAOYSA-N 312.417 2.433 10 10 DECE C[C@H](O)c1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319423341 RDGJCEZNURXKDB-YIZRAAEISA-N 307.462 2.254 10 10 DECE Cn1cc([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3O)C2)cn1 172055330 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O=C(COC(=O)c1cccc(O)c1O)Nc1cc(F)cc(F)c1 758561090 ZYGDZVWKKLMQQW-UHFFFAOYSA-N 323.251 2.172 10 10 DECE CCOC(=O)c1cccc(CNCc2ccc3c(c2)CCO3)n1 862274075 DNHWEBJQEJAIJZ-UHFFFAOYSA-N 312.369 2.483 10 10 DECE CO[C@@]1(CO)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 862409946 HFKJKHSUPVNAHC-INIZCTEOSA-N 314.376 2.004 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1895876433 VEWJJQGFEZXOHD-FIQHERPVSA-N 321.381 2.153 10 10 DECE COC(=O)[C@H]1CCN(Cc2cccc(Br)c2O)C1 768459611 DWEOZWNYQVXGFC-JTQLQIEISA-N 314.179 2.150 10 10 DECE OCCNc1nc(NCc2ccccc2O)nc2ccccc12 774523675 JBSATDITZHJZOC-UHFFFAOYSA-N 310.357 2.352 10 10 DECE C/C(=C\c1cccnc1)C(=O)N1CC(=O)N(C)c2ccccc21 1126851054 OYROYQJHYZCSCW-JLHYYAGUSA-N 307.353 2.495 10 10 DECE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1nnc(O)n1C 895179093 FCDVSLZSAAEGQV-ZCFIWIBFSA-N 317.176 2.384 10 10 DECE CC(C)(C)OC(=O)N1C[C@H](NCc2c(O)cccc2F)CO1 1958779891 JUOFIUBHHSAVQU-JTQLQIEISA-N 312.341 2.172 10 10 DECE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cncc1F 1161298887 GDTMRWJPQNTMGK-LURJTMIESA-N 312.247 2.401 10 10 DECE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1 1328693133 RQCSCWJAOLEMEE-JGVFFNPUSA-N 323.736 2.404 10 10 DECE Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])nc1Br 692885521 NDXFATYAFVLEBW-ZETCQYMHSA-N 313.159 2.098 10 10 DECE O=[S@]1CCCN(Cc2ccc(Br)cc2O)CC1 691680206 UGAFDRRAGPYEPO-KRWDZBQOSA-N 318.236 2.109 10 10 DECE CN(C)c1ccc(CNC(=O)c2cc(F)cnc2O)cc1F 1542430344 QHNSYNFEKNEIRD-UHFFFAOYSA-N 307.300 2.061 10 10 DECE CN(C(=O)c1cccc(O)c1O)[C@@H](c1ccccc1)c1nc[nH]n1 1629514193 KCDQAGPNPTXWPQ-AWEZNQCLSA-N 324.340 2.078 10 10 DECE C[C@H](C(=O)NCc1cccc(O)c1O)c1ccc2c(c1)OCO2 1633515809 RBVPWANKGKFCBC-JTQLQIEISA-N 315.325 2.246 10 10 DECE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)N2CCCCC2)C1 1912166934 DOEMIWOSAVQUEH-GFCCVEGCSA-N 301.416 2.130 10 10 DECE CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)nc1C 1641207242 UARSLZRONUIPBL-UHFFFAOYSA-N 302.330 2.381 10 10 DECE O=C(NCc1c(O)cccc1F)c1ccc2nc(O)[nH]c2c1 1652295661 OFCVIMJDLMGXNK-UHFFFAOYSA-N 301.277 2.043 10 10 DECE Cc1cc(CNC(=O)Cn2nccc2N)c(C)n1-c1ccccc1 1587025460 BCDCZENUOYCCDR-UHFFFAOYSA-N 323.400 2.189 10 10 DECE Oc1ccc(Br)cc1CNC1CC(n2cnnc2)C1 2127670815 ZOIMVIMJNFHUKR-UHFFFAOYSA-N 323.194 2.240 10 10 DECE Cc1ccc(S(N)(=O)=O)cc1NCc1cccc(F)c1O 165011549 GTTDRGGSGCOGQL-UHFFFAOYSA-N 310.350 2.099 10 10 DECE CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 154168916 SAHRGJBWXWEISI-CKEIUWERSA-N 324.490 2.286 10 10 DECE O=S(=O)(Nc1ccc(O)cc1Cl)c1ncccc1F 236579795 OAMCZPFTYLNVGJ-UHFFFAOYSA-N 302.714 2.381 10 10 DECE COC(=O)C(C)(C)[C@@H](N)c1c(O)cccc1Br 1952005586 OARUCOKIDPPUMP-JTQLQIEISA-N 302.168 2.354 10 10 DECE CC(C)(C)OC(=O)NCC[C@H]1CN(CCCN=[N+]=[N-])CCO1 1974707054 KEQGGPFDQDJLFJ-LBPRGKRZSA-N 313.402 2.302 10 10 DECE COc1ccc(N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(N)c1 1978512678 NBVVPKRZFIBCGB-JYAVWHMHSA-N 319.405 2.237 10 10 DECE CC(C)(C)OC(=O)N1CC=C[C@@H](NCc2ccc(O)c(O)c2)C1 1978877640 PPMBMMUTYCJUIH-CYBMUJFWSA-N 320.389 2.363 10 10 DECE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)c1cccs1 35309044 AOZLEDIGDGXSIF-SECBINFHSA-N 310.400 2.131 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H](N)c2ccccc2O)C1 1990345729 HZYKJSLZYIJYTP-DFBGVHRSSA-N 322.405 2.464 10 10 DECE C[C@@H](O)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)c(Br)c1 2030272375 HUFOVVKHRUTHHQ-MIMYLULJSA-N 312.207 2.177 10 10 DECE C[C@H](O)c1ccc(N2C[C@@H]3C(CO)[C@H]3C2)cc1Br 2030273103 PJFDGUBALUKUCT-UWJYBYFXSA-N 312.207 2.177 10 10 DECE C[C@@H](N)c1ccc(N2C[C@H](O)C3(CC3)C2)cc1Br 2032399555 FBECGKPPEBAUHA-RNCFNFMXSA-N 311.223 2.430 10 10 DECE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@]1(C)CC1(F)F 2172748729 RRVAUDSWJDCDIT-JOYOIKCWSA-N 304.362 2.122 10 10 DECE C[C@H](c1cc(Cl)ccc1O)N(C)CCCS(C)(=O)=O 710588984 DFGDDXBWRROZOR-SNVBAGLBSA-N 305.827 2.473 10 10 DECE C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(O)c(O)c1 2063139393 DYUVLCPQFAYUSE-SNVBAGLBSA-N 306.362 2.121 10 10 DECE COC(=O)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2O)nc1C 2070249466 UXTGVIQGNSTXPM-VIFPVBQESA-N 305.290 2.201 10 10 DECE NCc1ccc(N2CCC=C[C@@H]2CO)c(F)c1Br 2061976210 XXNVRZOVRPHKQV-SNVBAGLBSA-N 315.186 2.174 10 10 DECE Nc1cccc(Br)c1N[C@@H]1CC(=O)N2CCC[C@H]12 2068222437 BEFKREWRPJSREV-GHMZBOCLSA-N 310.195 2.207 10 10 DECE CCc1nn(C)c(C(=O)N(C)CCN=[N+]=[N-])c1Br 2072304605 MXMAITODEJUKAH-UHFFFAOYSA-N 315.175 2.127 10 10 DECE CS(=O)(=O)C[C@H]1CCCN1Cc1cccc(Cl)c1O 2094881880 BYNUZKFWGIGKBG-LLVKDONJSA-N 303.811 2.055 10 10 DECE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)C(Cl)=C(Cl)C(=O)O)C1 2225796401 WUVSGUSUIPEKMX-LURJTMIESA-N 307.137 2.309 10 10 DECE C[C@@H]1CN(CCNCc2cc(Cl)cc(Cl)c2O)C(=O)N1 2239296657 MKEZEZZRRJOHCK-MRVPVSSYSA-N 318.204 2.202 10 10 DECE C[C@@H]1C[C@@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)CCN1C 2308001382 DBPFASWTNHEQDG-OCCSQVGLSA-N 304.390 2.052 10 10 DECE C[C@H](O)CN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2323701334 FBGAHHHNTDXEID-JTQLQIEISA-N 322.455 2.335 10 10 DECE Oc1ccc(Br)cc1CN1CCN[C@H]2CCC[C@@H]21 2319299464 LBJMBQJNORRVNC-STQMWFEESA-N 311.223 2.481 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@H]3C4)c(Br)cc21 2330087389 XUAJKKHZVOTAGV-UJVNDKKSSA-N 322.206 2.390 10 10 DECE CC(C)NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 177864618 KTQXLLQRPCYMRY-HNNXBMFYSA-N 319.449 2.089 10 10 DECE Cc1cnn(CCNCc2cccc(Br)c2O)c1 105908481 TUEVAMOSSFKUIU-UHFFFAOYSA-N 310.195 2.449 10 10 DECE Oc1ccc([C@@H]2NC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1O 309644058 WFNSUDZAXGNUJE-BXWFABGCSA-N 310.397 2.490 10 10 DECE CC(C)CC[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490650 ZBSFZNUWRUPSOY-CYBMUJFWSA-N 314.451 2.392 10 10 DECE COc1ccc(N2CCN(CCNCc3ccoc3)CC2)cc1 320135799 LBMBBQDXPAEHLQ-UHFFFAOYSA-N 315.417 2.200 10 10 DECE O=C(Cc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1 243534586 OFJCZSFJHIFWFM-UHFFFAOYSA-N 324.380 2.307 10 10 DECE O=C1N[C@H]2CCN(Cc3cc(Cl)c(F)cc3O)C[C@@H]2CO1 294842835 ZIPNRHSAHHFPNQ-SKDRFNHKSA-N 314.744 2.115 10 10 DECE O=S1(=O)CCN(Cc2cccc(Cl)c2O)[C@H]2CCC[C@@H]21 825200665 FXEKSXJXPBSUES-STQMWFEESA-N 315.822 2.197 10 10 DECE NC[C@H]1c2ccccc2CCN1C(=O)NCCc1ccc(N)cc1 831178180 LUXJSXYNXSONDS-SFHVURJKSA-N 324.428 2.079 10 10 DECE C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)cc1O 846189418 LCFJWEGGHIFGTI-MRTMQBJTSA-N 313.195 2.069 10 10 DECE Oc1c(Br)cccc1CN[C@H]1CNCCC1(F)F 841074945 ITBYZLTXWQRRND-JTQLQIEISA-N 321.165 2.242 10 10 DECE C[C@@H]1OC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C 926724818 NGFJCCPJZBPXBE-QWQRMKEZSA-N 304.434 2.161 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](F)C3)C2)cc1 852449784 WDYMQWXJCFAXFA-CHWSQXEVSA-N 307.369 2.027 10 10 DECE Cn1c(=O)oc2ccc(CNCc3ccc4c(c3)CCO4)cc21 858293171 BPMDRDOZCIJJSL-UHFFFAOYSA-N 310.353 2.356 10 10 DECE CO[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CCC1 862025029 LDRNEGYKWNGPPZ-MRXNPFEDSA-N 300.358 2.372 10 10 DECE CCc1noc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1 865395858 DHAZOAQRRWNGCZ-UHFFFAOYSA-N 305.334 2.064 10 10 DECE CC[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 863543736 XBBKQZRYDIVFII-XOKHGSTOSA-N 321.440 2.453 10 10 DECE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN[C@H]2C)cc1 861699767 XUBWEZLDHXLSPB-WMLDXEAASA-N 318.465 2.425 10 10 DECE COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnnc2C)c1 776494868 GNDXDZMKKWCZIG-SECBINFHSA-N 302.334 2.382 10 10 DECE Oc1ccc(F)cc1CNC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 787304908 SYFZVFQPWIICJZ-QIHGSZKUSA-N 315.388 2.130 10 10 DECE Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@@]3(CO)C2)c1 783746839 YPFPHTKNKCJVEC-FZMZJTMJSA-N 312.207 2.277 10 10 DECE O=C(c1c(F)ccc(O)c1O)N1CCC(CN2CCCC2)CC1 789978763 ALPWYDATJDSJIN-UHFFFAOYSA-N 322.380 2.185 10 10 DECE C[C@H](NCc1ccc(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 686267481 UFULXNZEBDRHPE-NSHDSACASA-N 322.405 2.443 10 10 DECE CN[C@H]1C(=O)Nc2cc(N3CC[C@H]3C)c(Br)cc21 706732509 SLVBSLJUVJTVRA-JMCQJSRRSA-N 310.195 2.260 10 10 DECE Cc1nc(CCNCc2c(O)cccc2Br)no1 706830000 JYTUBBRICALMPX-UHFFFAOYSA-N 312.167 2.178 10 10 DECE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Cl)c1 694121463 UVNFZELOIKLKBJ-PWSUYJOCSA-N 316.854 2.373 10 10 DECE CC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)nc1 1351266658 XIRQFUQBMQCKDH-UHFFFAOYSA-N 312.373 2.036 10 10 DECE CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(O)c(O)c1 1543414414 AYHMKEWXLYWRBU-UHFFFAOYSA-N 316.313 2.207 10 10 DECE Cc1c(F)ccc(C(=O)NCCc2ccc(O)c(O)c2)c1N 1545669333 VXLISKZLNOFUQJ-UHFFFAOYSA-N 304.321 2.100 10 10 DECE CC(C)c1nc(NCc2c(O)cccc2O)nc(N(C)C)n1 1559287853 GPALDPUCDFPFTC-UHFFFAOYSA-N 303.366 2.084 10 10 DECE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)c1ccccc1 1624914094 VNAYGCQALWRSBS-UHFFFAOYSA-N 313.353 2.418 10 10 DECE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCOC1 1566749620 HMKURJKDVJGNKW-JQWIXIFHSA-N 304.350 2.394 10 10 DECE O=C(NCc1cccc(O)n1)c1cc2cc(O)c(O)cc2s1 1566771588 RUYLOPLIVRYDAE-UHFFFAOYSA-N 316.338 2.343 10 10 DECE COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1645443576 PWPWPHRJUSOUHS-UONOGXRCSA-N 313.353 2.361 10 10 DECE C[C@H](NC(=O)c1cc2c(cc1O)OCO2)c1ccccc1O 1648891546 BBVIAKWGAPVHBP-VIFPVBQESA-N 301.298 2.318 10 10 DECE CC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1651471733 KZTWHXOPVWDSLP-UHFFFAOYSA-N 302.334 2.290 10 10 DECE COc1ccc(CN[C@H]2C[C@@H](NC(=O)COC(C)C)C2)cc1C 1661572735 ISEQRFYOSCHKCW-IYBDPMFKSA-N 320.433 2.165 10 10 DECE Nc1ccc(OCCN2C[C@H](c3ccc(N)cc3)OC2=O)cc1 585900447 VRENJZPGENKJAQ-MRXNPFEDSA-N 313.357 2.423 10 10 DECE CC(C)(C)OC(=O)N[C@]1(c2cccc([N+](=O)[O-])c2O)CCNC1 1952197332 RBIZOZNDYHSVAI-OAHLLOKOSA-N 323.349 2.014 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1985103651 YOPTWBIUQFIWBC-SRVKXCTJSA-N 323.397 2.401 10 10 DECE Oc1ccc(Br)cc1CN1CCC[C@H]2NCC[C@H]21 2027167093 LEZOHCLXRPVBIG-CHWSQXEVSA-N 311.223 2.481 10 10 DECE OCc1ccc(N2CCN([C@H]3CCSC3)CC2)cc1Cl 2171553674 QRBKWCDSBDCTBE-AWEZNQCLSA-N 312.866 2.460 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CF)C2)c1O 2172082716 MEJZCXRAOXWQHB-GFCCVEGCSA-N 301.745 2.419 10 10 DECE COc1ccccc1C=C1SC(=S)N(CCC(=O)O)C1=O 2053464725 JFEIZQQPGKDPTD-UHFFFAOYSA-N 323.395 2.371 10 10 DECE O=S1(=O)CCC[C@@H](NCc2c(O)cccc2Cl)CC1 822190264 WMDPPENZKURRFS-SNVBAGLBSA-N 303.811 2.103 10 10 DECE COc1cccc(O)c1[C@H](C)n1nc(C)cc1C(=O)N(C)C 2070044317 RNQWTZLOWSYIPV-NSHDSACASA-N 303.362 2.217 10 10 DECE OCCC1CC(NCc2c(O)cccc2Br)C1 898014771 GCUJVSFQNNMULW-UHFFFAOYSA-N 300.196 2.405 10 10 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319.411 2.147 10 10 DECE CC(C)CCn1ccc(=NC(=O)C=Cc2ccc(O)c(O)c2)[nH]1 2308001945 GSOWGJLFPUTDSH-UHFFFAOYSA-N 315.373 2.414 10 10 DECE Cc1nc(Br)c(C(=O)Nc2ccc(N)cc2)n1C 2315594163 QTLKPFINOBHECF-UHFFFAOYSA-N 309.167 2.326 10 10 DECE Cc1ccc(CN(C)C(=O)c2cnc[nH]2)c(O)c1Br 2352660820 BMCDUULOPRELDE-UHFFFAOYSA-N 324.178 2.458 10 10 DECE CCN[C@](CSc1nccs1)(C(=O)OC)[C@@H]1C[C@@H]1C 2353284546 QSJHCDGIUSAYLD-CWSCBRNRSA-N 300.449 2.413 10 10 DECE CN(c1ccc(CO)c(Cl)c1)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361697545 GNABGTHXHBDNAG-AAEUAGOBSA-N 317.838 2.234 10 10 DECE CC(C)c1nnsc1C(=O)NCCOc1ccc(N)cc1 87441428 ITZWFZWFLBOZRO-UHFFFAOYSA-N 306.391 2.053 10 10 DECE CS(=O)(=O)[C@@H]1CC[C@H](SCCOc2ccc(N)cc2)C1 2367854667 AIOBZBPDIMGRHU-UONOGXRCSA-N 315.460 2.347 10 10 DECE COc1cc(C)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O 246545800 LGVMCORSBJRIHS-HRCADAONSA-N 321.417 2.478 10 10 DECE C[C@H](NCCCCN1CCC[C@H]1CO)c1ccc(F)cc1O 248534248 ZPLXWPRTMZEBRJ-ZFWWWQNUSA-N 310.413 2.419 10 10 DECE CCOc1ccc(O)c(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 245737097 LBEJUCSUXFEXFA-NEPJUHHUSA-N 315.435 2.044 10 10 DECE CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](CO)CC2)cc1 246492175 HDCPYJBOOXMRML-SHTZXODSSA-N 305.422 2.103 10 10 DECE CCNC(=O)N1CC[C@@H](N[C@H](CC)c2ccc(F)cc2O)C1 286302765 XDDPMWSLRWDDGV-TZMCWYRMSA-N 309.385 2.376 10 10 DECE CC[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C)S1(=O)=O 808191914 DYAKDLCWBQTART-LRDDRELGSA-N 323.458 2.278 10 10 DECE O[C@@]1(C2CC2)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 827152075 QBSCEOWGDVUDOK-IBGZPJMESA-N 316.445 2.260 10 10 DECE C[C@]12COC[C@@]1(C)CN(Cc1ccc(N3CCOCC3)cc1)C2 827018083 RXJLTPHVWPFJAN-KDURUIRLSA-N 316.445 2.382 10 10 DECE CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CCC1=O 827359423 NSWFYGKPIYSQPP-UHFFFAOYSA-N 303.189 2.363 10 10 DECE COCC1(CCNC(=O)NCc2cccc(OC)c2O)CC1 827518946 JTOJKZYSQRDTJX-UHFFFAOYSA-N 308.378 2.017 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@@]2(C(=O)O)CCCOC2)cc1 901944435 WGTFCPBOSWAPQB-YZTRRJNXSA-N 318.417 2.237 10 10 DECE Cc1ccc([C@@](C)(O)CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 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COC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 862487261 NDXOMONHQXBWBN-HVMMPBATSA-N 318.417 2.028 10 10 DECE CC(C)(C)OC(=O)CSCC(=O)N1Cc2cccc(O)c2C1 871202457 HWNCOCOXWJMGJE-UHFFFAOYSA-N 323.414 2.309 10 10 DECE C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1Cc2cccc(O)c2C1 871198270 FIJNCWCGCBIPKZ-PIGZYNQJSA-N 311.337 2.463 10 10 DECE COC(=O)/C(C)=C/CN[C@H](C)c1ccc(N2CCOCC2)cc1 775255936 SBDZTOXRYCKAKQ-UJMHRVFCSA-N 318.417 2.293 10 10 DECE COc1ccc(N2CCN(C(=O)C3(C(C)C)COC3)CC2)cc1 1127191132 YILHATZLLDJNBK-UHFFFAOYSA-N 318.417 2.016 10 10 DECE Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1O 780994360 WCVJGFCZWXQIEG-CHWSQXEVSA-N 305.374 2.295 10 10 DECE CC(C)C(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 792157643 ZDXUDBIFTOQGIO-UHFFFAOYSA-N 314.788 2.485 10 10 DECE CN1CCOc2ccc(C(=O)NCc3c(O)cccc3F)cc21 1156171039 WLOJCVDPLADHFB-UHFFFAOYSA-N 316.332 2.290 10 10 DECE O=C(NCc1cc(O)ccc1O)[C@H]1CCN(c2ccccc2)C1 1303226112 XDJWXFIVMMDXPT-ZDUSSCGKSA-N 312.369 2.241 10 10 DECE O=C(c1c[nH]nc1-c1cccnc1)N1CCc2nc(F)ccc21 1168364704 KLMOLUKMHGUIOV-UHFFFAOYSA-N 309.304 2.209 10 10 DECE CCOC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 1178912426 TWRNVCZVIYRYQJ-UHFFFAOYSA-N 315.325 2.205 10 10 DECE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]12CCCC[C@@H]1C2 1336193114 ZXCXHAPJEXTTNK-KDOFPFPSSA-N 316.401 2.047 10 10 DECE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(OC)n1 1331555564 PQGCFGOSASVVCG-UHFFFAOYSA-N 303.362 2.412 10 10 DECE COc1ccc(CNC[C@H](C)CNC(=O)CC(C)(C)O)cc1C 1267979244 KQJZHINUHZFRGU-ZDUSSCGKSA-N 322.449 2.007 10 10 DECE C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1O 1346660511 OPGJECSRYNGTLL-CTHBEMJXSA-N 303.406 2.093 10 10 DECE COc1ccc(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 1473613190 KFLAHBCCSNZTNH-UHFFFAOYSA-N 315.329 2.339 10 10 DECE CO[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C 1621332351 LCWASUJRGMRPJR-NWDGAFQWSA-N 304.350 2.392 10 10 DECE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCOc2ccccc21 1627663049 VUXZZQOHUBNCPR-CYBMUJFWSA-N 313.353 2.323 10 10 DECE Cn1cc(NC(=O)c2cccc(O)c2O)c(-c2ccccn2)n1 1630243581 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OCc1ccc(N2C[C@@H]3[C@H](CO)C[C@H]3C2)cc1Br 2053983428 CQEVAVBBRNEDPK-GVXVVHGQSA-N 312.207 2.006 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1c[nH]nc1Br 2070679171 ZUQJDZOGRBSYHW-UHFFFAOYSA-N 309.167 2.027 10 10 DECE COc1cc(N)c(N2CCCC[C@@H]2C2OCCO2)cc1OC 2089563649 RNVWHMXGLHHQMI-GFCCVEGCSA-N 308.378 2.018 10 10 DECE C[C@@H](N)c1ccc(N2CCC23CN(C)C3)cc1Br 2222699086 QDWQSRFYIBMXOH-SNVBAGLBSA-N 310.239 2.363 10 10 DECE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@H]1C[C@@H]1C(F)(F)F 2234167322 VLKFGKRVYJEGEL-XAVMHZPKSA-N 312.317 2.336 10 10 DECE COc1ccc(N(CCO)CCCNC(=O)OC(C)(C)C)cc1 2243219083 RTGRJRIPPMSHMN-UHFFFAOYSA-N 324.421 2.409 10 10 DECE COCC12COC(CNCc3cnc(SC)s3)(C1)C2 2269094886 KAMHDJSNRSDYNA-UHFFFAOYSA-N 300.449 2.150 10 10 DECE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnc(C(C)(F)F)s1 2296056008 NIYRUZHUWYLBCV-SSDOTTSWSA-N 305.310 2.369 10 10 DECE NCc1ccc(N2CCC3CC2(CO)C3)c(Br)c1 2314891599 QDIQTDGCEOHWDQ-UHFFFAOYSA-N 311.223 2.259 10 10 DECE CC[C@H](O)CN(C[C@H](O)CC)c1ccc(CN)cc1Cl 2360766235 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317.376 2.479 10 10 DECE O=C(NCc1ccccc1O)c1cnc2ccnn2c1C(F)F 1306451608 GNRZSUBGCSMPHT-UHFFFAOYSA-N 318.283 2.303 10 10 DECE C[C@H](O)[C@@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 1908468200 NYNKJKFIARTINP-IHBFAXJASA-N 304.159 2.153 10 10 DECE Cc1cc(C)n2ccc(C(=O)NCc3cc(O)ccc3O)c2n1 1176754338 BEBAVTZCORFCOY-UHFFFAOYSA-N 311.341 2.292 10 10 DECE CO[C@H]1COCC[C@@H]1NCc1c(O)cccc1Br 706828431 DCZDUDZCJVDPIW-AAEUAGOBSA-N 316.195 2.048 10 10 DECE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCSCC2)cc1 690670868 FAAAYEPFHDRQIV-GFCCVEGCSA-N 314.476 2.222 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2ccccn2)cc1C 1268636790 SNVHYJBRGWKKDA-CQSZACIVSA-N 313.401 2.307 10 10 DECE C/C(=C\C(=O)N1CCC(=O)Nc2ccccc21)c1cnccn1 1360075813 UFLJLLVDEVHKJG-ZRDIBKRKSA-N 308.341 2.255 10 10 DECE COC(=O)c1cnc(SCc2ccc(C(N)=O)cc2)s1 1559416448 JYDGOECAYRMPSI-UHFFFAOYSA-N 308.384 2.321 10 10 DECE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 1628685999 TXEXLYCKNCSELN-UHFFFAOYSA-N 317.393 2.453 10 10 DECE COc1ccc(CNC[C@@H](C)NC(=O)c2conc2C)cc1C 1716410816 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10 DECE CC(=O)C(=O)COC(=O)/C=C\c1ccsc1C(F)(F)F 869585412 GPUWKNCPLTYUKC-IHWYPQMZSA-N 306.261 2.481 10 10 DECE CCN1C[C@@H](C)N(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C 769467411 TWGGROCPEPMSHP-DLBZAZTESA-N 317.477 2.438 10 10 DECE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 864471012 VQRKZSUXZHLHPD-GRDNDAEWSA-N 318.417 2.157 10 10 DECE COC(=O)c1[nH]c(C)c(C(=O)N2Cc3cccc(O)c3C2)c1C 871204390 ZZHARRFSHHHZIF-UHFFFAOYSA-N 314.341 2.280 10 10 DECE COc1cc2c(cc1F)CN(C(=O)c1cccc(O)c1O)CC2 790917900 ZLJQCOLMDWFDMQ-UHFFFAOYSA-N 317.316 2.444 10 10 DECE C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Cl)c1O 1305085178 RLAZUMYNPNBLLH-VIFPVBQESA-N 322.748 2.073 10 10 DECE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CCC[C@@H]43)c(Br)cc21 706805965 WOIXBVPONOVMBQ-RESLBDFXSA-N 322.206 2.390 10 10 DECE C[C@@H](O)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)cc1Cl 694130116 DUDRGDKXLJRHFZ-PWSUYJOCSA-N 317.838 2.407 10 10 DECE CCCNCc1ccc(N2CC([S@@](C)=O)C2)cc1Cl 2115303187 KRUBLFGTMQEMFL-LJQANCHMSA-N 300.855 2.407 10 10 DECE COc1ccccc1OCCC(=O)NCc1cccc(O)c1O 1455315316 DZRUYULTKLANNP-UHFFFAOYSA-N 317.341 2.192 10 10 DECE COC(=O)CN(C(=O)/C=C(\C)c1cnccn1)c1ccccc1 1456623213 QPFOOGQIFKWQOI-JLHYYAGUSA-N 311.341 2.086 10 10 DECE CCNCc1ccc(N2CCC(C(=O)O)CC2)c(OCC)c1 212707901 SOEBFIQWVXJDMD-UHFFFAOYSA-N 306.406 2.496 10 10 DECE COc1cccc(CNC(=O)c2c(N)ccc(F)c2C)c1O 1636061175 IADKLLKVUDDPRM-UHFFFAOYSA-N 304.321 2.361 10 10 DECE C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(O)c1 1566369927 DAVNGHAQQIVBCU-LLVKDONJSA-N 301.342 2.266 10 10 DECE CCCC[C@H](O)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1567467172 CTGQWTGUAWXGRP-JSGCOSHPSA-N 309.406 2.476 10 10 DECE Nc1c(Cl)cc(F)cc1C(=O)NCc1cccc(O)c1O 1644711337 YAMNYHUKKSSMJX-UHFFFAOYSA-N 310.712 2.403 10 10 DECE C[C@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1 1641881547 RLXSCLLURNQFQU-INIZCTEOSA-N 323.295 2.014 10 10 DECE CC(=O)NCCN1C(=O)/C(=C\c2cccc(C)c2)SC1=S 1858587255 RSFSMPDGWMSORL-UKTHLTGXSA-N 320.439 2.332 10 10 DECE Cn1nnc(CNCc2ccc(Cl)cc2O)c1C(F)F 1967846280 UIBGMMJVEGFTGZ-UHFFFAOYSA-N 302.712 2.402 10 10 DECE Nc1ccc(OCC(=O)Nc2ncnc(Cl)c2Cl)cc1 236368434 FVQZAJFEFOOTID-UHFFFAOYSA-N 313.144 2.383 10 10 DECE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1ccc(O)cc1O 1952211333 BJRIJSLDXUEWIK-ZDUSSCGKSA-N 308.378 2.369 10 10 DECE COCCNCc1cnc(Sc2n[nH]c(C(C)C)n2)s1 2155312383 AXZWHLVVXCVAOT-UHFFFAOYSA-N 313.452 2.272 10 10 DECE NCc1cc(F)c(N2C[C@H](O)C3(CC3)C2)cc1Br 2032402110 CXNOIHSPHOIVNR-LBPRGKRZSA-N 315.186 2.008 10 10 DECE CN(C[C@]12COC[C@H]1C2)c1ccc(CO)c(Br)c1 689305621 GTCTXMLTFBFLMR-BXUZGUMPSA-N 312.207 2.414 10 10 DECE Cc1cnn(C)c1CNCc1ccc(Br)cc1O 691393661 VNHLEFPYAPXMQB-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COC(=O)c1cnc(Sc2nnc3n2CCCCC3)s1 2182631376 HCKLJZPLEXDQLM-UHFFFAOYSA-N 310.404 2.399 10 10 DECE COC[C@@]12C[C@@H]1CN(c1ccc(CO)cc1Br)C2 2046793130 IUUGFBMWERZIAU-RISCZKNCSA-N 312.207 2.414 10 10 DECE Cn1cccc(NCc2cc(Br)ccc2O)c1=O 2217980829 HJLXEZCLXMBQMV-UHFFFAOYSA-N 309.163 2.466 10 10 DECE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cnnc(Br)c1 2260919457 UFBJMGSSANFDCM-SFYZADRCSA-N 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323.437 2.108 10 10 DECE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@]1(C)COCC(=O)N1 1952821851 SUBJAWUUQASYMN-MRXNPFEDSA-N 322.361 2.101 10 10 DECE C[C@H](CN(C)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977924139 DCNSBBYDBHWBRA-CYBMUJFWSA-N 323.437 2.493 10 10 DECE O=C1C[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2N1 2145060981 WHZHRARZMOGEFP-QPUJVOFHSA-N 315.200 2.409 10 10 DECE CN(C[C@H]1CC1(F)F)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2153632115 DTXFEBDUBQJDFO-KBUNVGBDSA-N 301.724 2.383 10 10 DECE O=C1Nc2cc(N3CC[C@@H]4C[C@H]43)c(Br)cc2[C@@H]1O 706775668 LKDGWIYMIQVKOB-CXTDYRRUSA-N 309.163 2.033 10 10 DECE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1c(Cl)ncn1CC 2175319124 RNJURKCBBCERQM-MRVPVSSYSA-N 300.750 2.061 10 10 DECE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 2064102698 VYYPIFXKVSKBEN-AFAVFJNCSA-N 311.337 2.006 10 10 DECE CNC(=O)c1cc(CC(C)C)nn1Cc1cccc(OC)c1O 2070092313 WARBPRPEYOOILQ-UHFFFAOYSA-N 317.389 2.204 10 10 DECE CCN([C@@H](C)CS(C)(=O)=O)[C@H](C)c1ccc(F)cc1O 2170425903 VQVAVBBIJRGJEH-WDEREUQCSA-N 303.399 2.347 10 10 DECE C[C@@H](N)c1ccc(N2CCN(C)[C@H]3C[C@H]32)cc1Br 2049381321 UUHMOPGACICHMN-BIGNPOOSSA-N 310.239 2.362 10 10 DECE COc1ccc(Br)c(CNC[C@H]2CCO2)c1O 2214882817 MEKULGQVUAMFRH-MRVPVSSYSA-N 302.168 2.042 10 10 DECE CCn1ncc(NS(=O)(=O)Cc2ccc(N)cc2)c1Cl 2240570674 YASWFNXIKDGIGV-UHFFFAOYSA-N 314.798 2.081 10 10 DECE C[C@H](O)c1ccc(N2CC[C@@]3(O)C[C@@H]3C2)cc1Br 2254035507 AUWMWHVFZUCMIC-IMSIIYSGSA-N 312.207 2.464 10 10 DECE CSc1ncc(CNC(=O)c2cnnc(Cl)c2)s1 2260920148 UCELGUHWUVURNF-UHFFFAOYSA-N 300.796 2.238 10 10 DECE CSc1ncc(CNC(=O)C2(N)CC3(CC(F)C3)C2)s1 2289274153 XEQUHFKLIFWJRU-UHFFFAOYSA-N 315.439 2.091 10 10 DECE CC1CCN([C@@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307986887 KPODRJXKMHBCOD-AWEZNQCLSA-N 318.417 2.348 10 10 DECE COCCN(CCOC)N=Nc1ccc(OC)c([N+](=O)[O-])c1 2330193048 BBPIRDATXJIWSL-UHFFFAOYSA-N 312.326 2.197 10 10 DECE C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)CCN1C 173188564 FHJSTBRXWCTWSH-RHSMWYFYSA-N 318.465 2.377 10 10 DECE Cc1cc(F)ccc1S(=O)(=O)NCCc1ccc(N)cc1 32209926 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2.494 10 10 DECE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)C1CCC1 825467380 UIBBZMLVGPQNNM-QGZVFWFLSA-N 302.418 2.454 10 10 DECE COc1ccc(O)c([C@H](C)NC(=S)NC[C@H]2CCCO2)c1 728793376 RDWUOIZEXHNSHP-CMPLNLGQSA-N 310.419 2.105 10 10 DECE CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N(C)C)cc1 836223609 AUXRZNCAZXJRJO-GOEBONIOSA-N 305.422 2.055 10 10 DECE CN(C)c1ccc(/C=C/CNC[C@H]2CCCN2CCCO)cc1 835055811 ZMJMRGDWKJYXTA-MTGFJVSHSA-N 317.477 2.202 10 10 DECE CN(C)c1ccc(/C=C/CNCCNC(=O)c2ccco2)cc1 835036070 MVCSGBHAJKSRDF-HWKANZROSA-N 313.401 2.378 10 10 DECE Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1c1ccnn1C 846115598 MPPMKMAXVKIYRE-SFHVURJKSA-N 314.433 2.368 10 10 DECE C[C@@H]1[C@H](CO)CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844210191 RHDPUIZPFGFTPF-HASJVIIQSA-N 320.345 2.290 10 10 DECE Oc1ccc(Cl)c(F)c1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 922727180 OEJATAFQCMIMJH-KKFJDGPESA-N 301.745 2.078 10 10 DECE C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H](C)O1 853244373 JXJHESRAOPWBDO-KGLIPLIRSA-N 305.422 2.462 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CNCCO[C@H]2CC2(F)F)c1O 850365467 HNYJLJCMFZFKFX-JTQLQIEISA-N 322.695 2.468 10 10 DECE CC(C)(C)OC(=O)COCCN[C@@H]1CCc2cccc(O)c21 866437259 DCSOFOYIJRXIKL-CYBMUJFWSA-N 307.390 2.327 10 10 DECE Fc1cc(CN2CC3(CCCO3)C2)ccc1N1CCOCC1 862484637 XILXKXWUMLOIJT-UHFFFAOYSA-N 306.381 2.027 10 10 DECE OCCC1(NCc2cc(Cl)cc(F)c2O)CCOCC1 775760152 WKCWYWQYVIQLHI-UHFFFAOYSA-N 303.761 2.206 10 10 DECE O=C(NCc1ccc(O)c(O)c1)c1cc(Cc2ccccc2)[nH]n1 786409625 OVDVNYOXXFRDGZ-UHFFFAOYSA-N 323.352 2.342 10 10 DECE Cn1cc(-c2ncccc2NC(=O)c2cccc(O)c2O)cn1 1141784796 QVJLTXSLJCBMPL-UHFFFAOYSA-N 310.313 2.146 10 10 DECE CC(C)N(CC(N)=O)c1ccc([C@H](C)N)cc1Br 704577761 GCPXOQLNVZMRLE-VIFPVBQESA-N 314.227 2.169 10 10 DECE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(O)cs1 1331184479 MKRDZXGHEFFSSQ-BDAKNGLRSA-N 314.407 2.485 10 10 DECE O=C(Nc1cccc(N2CCC2=O)c1)c1c(F)ccc(O)c1O 1183333086 JMOQUYIHBZCMJK-UHFFFAOYSA-N 316.288 2.226 10 10 DECE COc1ccc(CN[C@@H](C)CCNC(=O)c2ncc[nH]2)cc1C 1266142928 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DECE O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccccc1 1558173988 ATLUKAOXIOWJMO-UHFFFAOYSA-N 309.325 2.418 10 10 DECE Cc1cc(C)cc(OCCNC(=O)Cc2ccc(O)c(O)c2)c1 1631046651 HPHKMEUUYVZWCA-UHFFFAOYSA-N 315.369 2.452 10 10 DECE NC(=O)N=Nc1ccc(C(=O)NCC2(NCC3CC3)CC2)cc1 1499464611 VHAFTHMNJIMZLT-UHFFFAOYSA-N 315.377 2.111 10 10 DECE O=C(NCc1cc(O)ccc1O)c1cnn(Cc2ccccc2)c1 1651222316 DZEWDEVGCBCEGV-UHFFFAOYSA-N 323.352 2.273 10 10 DECE Cc1cc(=O)c(C(=O)NCc2c(O)ccc3ccccc23)c[nH]1 1597736701 JPPNFZHRJWINJI-UHFFFAOYSA-N 308.337 2.472 10 10 DECE O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(O)c(O)c(O)c1 1865876630 XAMGGXXQHCPIOQ-UHFFFAOYSA-N 323.688 2.407 10 10 DECE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)[C@@H](F)C2)c1O 934573344 DWMDFVBKSHIKRB-QWHCGFSZSA-N 301.745 2.153 10 10 DECE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(O)c(O)c1 1951322224 YPGWFDDPAALWLS-SNVBAGLBSA-N 311.334 2.008 10 10 DECE CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc([N+](=O)[O-])c1O 1952057529 UNNMQGSXCOEWBQ-LBPRGKRZSA-N 323.349 2.182 10 10 DECE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(N)cc2)C1 1977965999 OWVHVLDTBPVQGT-CABCVRRESA-N 321.421 2.387 10 10 DECE CCN[C@H](c1ccccc1O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1978453374 MGDOIHDXJGKAOW-DFBGVHRSSA-N 324.421 2.317 10 10 DECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985104671 LDCGVVHNFVGVKX-WISYIIOYSA-N 321.381 2.057 10 10 DECE C[C@@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985102163 CICJJBOEMQMTRU-UEKVPHQBSA-N 323.397 2.449 10 10 DECE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]1(COc1ccc(N)cc1)CO2 1992449961 AFBJRZUGISJXNC-RHSMWYFYSA-N 320.389 2.426 10 10 DECE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)[C@@H](N)c2ccccc2O)C1 1993190525 YAROQLBOFNELSJ-UGFHNGPFSA-N 322.405 2.010 10 10 DECE C[C@H](O)c1ccc(N2CC([S@@](C)=O)C2)c(Br)c1 2004517114 XXTUFFISJOCNDX-WNWIJWBNSA-N 318.236 2.070 10 10 DECE Oc1cccc(Br)c1CN[C@@H]1COCC1(F)F 2014283965 RBIQUZLGXULSSR-SNVBAGLBSA-N 308.122 2.278 10 10 DECE CNCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)cc1Br 2027972371 KLAVNXRTXRPYIB-QWHCGFSZSA-N 317.202 2.078 10 10 DECE C[C@H](N)c1ccc(N2CC3(CN(C)C3)C2)cc1Br 2034802875 SJLYKBKBIFISLR-JTQLQIEISA-N 310.239 2.221 10 10 DECE C[C@H](OCc1ccccc1)C(=O)NCCOc1ccc(N)cc1 404450339 NRVSQXWEJWUDKW-AWEZNQCLSA-N 314.385 2.369 10 10 DECE NC(=O)CN(Cc1ccc(N)cc1)Cc1sccc1Cl 312341642 GNRNRHQRKIMNMJ-UHFFFAOYSA-N 309.822 2.471 10 10 DECE C[C@H]1CN(c2ccc(C=CC(=O)O)cc2Cl)CC[S@]1=O 2171964654 OOFWCCUAZGDLDC-WVDJIFEKSA-N 313.806 2.395 10 10 DECE C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1N 715766906 ZEWABQCVGFHCCG-PELKAZGASA-N 317.202 2.463 10 10 DECE CNC(=O)c1cn(-c2ccc(O)c(O)c2)nc1C1CCCC1 2069783377 HSVILPSTDRWFPC-UHFFFAOYSA-N 301.346 2.301 10 10 DECE N=c1[nH]n(Cc2cccc(F)c2O)c(C(F)(F)F)c1[N+](=O)[O-] 2079180085 JLJMFVIBICUCTI-UHFFFAOYSA-N 320.202 2.116 10 10 DECE Nc1ccc(CCOc2nc(Br)cnc2N)cc1 2064995109 NYWWLQSKWPDUHA-UHFFFAOYSA-N 309.167 2.025 10 10 DECE Nc1cccc(Br)c1N[C@@H]1CC(=O)N2CCC[C@@H]12 2068222438 BEFKREWRPJSREV-MNOVXSKESA-N 310.195 2.207 10 10 DECE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)c1ccccc1O 2211078901 PXUQWQWJCWIHKV-JDSLSITLSA-N 322.405 2.152 10 10 DECE Nc1ccc(CS(=O)(=O)NCCCSC(F)F)cc1 2264458555 ADGSBICPWCSHLW-UHFFFAOYSA-N 310.391 2.034 10 10 DECE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(Cl)c1 2279334523 OHJSWTFDGWSIKW-ZWNOBZJWSA-N 316.854 2.201 10 10 DECE O=C(O)C[C@H]1C[C@@H]1CNCc1c(O)cccc1Br 2314297005 CTKHXNVKLSDXQO-RKDXNWHRSA-N 314.179 2.355 10 10 DECE Oc1ccc(Br)cc1CN1CCN[C@@H]2CCC[C@@H]21 2319299462 LBJMBQJNORRVNC-OLZOCXBDSA-N 311.223 2.481 10 10 DECE CCn1nc(Br)c(COCc2ccc(N)cc2)n1 2326875448 OIRZSBULPLRFQK-UHFFFAOYSA-N 311.183 2.360 10 10 DECE C[C@H](c1cc(Br)ccc1O)N1CC[C@H](C(N)=O)C1 300420063 LSPUJCXBXOGHJC-BDAKNGLRSA-N 313.195 2.023 10 10 DECE CC(C)CC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62093367 OKDJIXVINFKBMK-UHFFFAOYSA-N 315.417 2.266 10 10 DECE CC(C)(C)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1O 273441430 WLCNPIMFWFENSQ-TZMCWYRMSA-N 307.390 2.350 10 10 DECE COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c1O 278299583 VPCKMIFEARCENU-WCQYABFASA-N 323.393 2.224 10 10 DECE CCN(CC)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1 375235716 BVCMWFYNAPNFRO-GOSISDBHSA-N 303.450 2.049 10 10 DECE COC(=O)/C=C/c1ccc(N(C)C[C@@H](C)OC)c([N+](=O)[O-])c1 286334419 JHKJFAAIYDTISD-LXSSAFMLSA-N 308.334 2.252 10 10 DECE Cc1nc2ccccn2c(=O)c1CCN(C)Cc1ccccc1O 284053122 PVMOVCCPKLOBAT-UHFFFAOYSA-N 323.396 2.383 10 10 DECE C[C@H](O)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)cc1Cl 2167831672 RQAQOXDHXLPQRM-JTQLQIEISA-N 317.838 2.407 10 10 DECE CC(C)[C@](C)(CO)NC(=O)NCc1ccc2c(c1)CCCN2C 812017554 HMIFLHUOAUUWMB-SFHVURJKSA-N 319.449 2.275 10 10 DECE C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCCC3)cc2)C1 725804207 XDNDCFHDMMTFJF-OAHLLOKOSA-N 301.434 2.245 10 10 DECE C[C@@H](CN1CCCC1=O)NC/C=C/c1ccc(N(C)C)cc1 835036089 OFUNXIVVJIGGAK-DRDHIDPGSA-N 301.434 2.366 10 10 DECE CN(C)c1ccc(/C=C\CN2CCC[C@H](OCCO)C2)cc1 835027720 GCAXEQWWCDXJFA-AJNOYIKESA-N 304.434 2.239 10 10 DECE C[C@H](NCC(C)(C)[C@]1(O)CCOC1)c1cc(F)cc(F)c1O 842919114 JXEBWHCGOWGKDG-QFYYESIMSA-N 315.360 2.499 10 10 DECE COc1ccc(N2CCC(NCC[C@H]3CCNC3)CC2)cc1 841034545 CCLZUDQNZBYQDR-OAHLLOKOSA-N 303.450 2.253 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)c3ocnc3C)C2)cc1 855232481 URLXYSDXWYHPFI-GFCCVEGCSA-N 301.346 2.000 10 10 DECE COCCN(CCF)C(=O)NCc1ccc(N(C)C)cc1C 853748768 IUBBPFNYQNFVKN-UHFFFAOYSA-N 311.401 2.189 10 10 DECE O=Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1 930204843 DBUWCVQMMVZQGA-UHFFFAOYSA-N 309.369 2.424 10 10 DECE O=C(c1cc(O)cs1)N1CCO[C@@H](c2cccc(O)c2)C1 768292044 JPWDREYJWAKFGS-CYBMUJFWSA-N 305.355 2.373 10 10 DECE Cc1cc(Cl)cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O 775711961 CCUKUXCERZPFSO-NSHDSACASA-N 317.838 2.221 10 10 DECE O=C(O)[C@@H](CCF)NCc1cc(Br)cc(F)c1O 1332018527 ZVHAGRVDMJLEKU-SECBINFHSA-N 324.121 2.196 10 10 DECE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 1137570273 RYRSSTDWFQSZAQ-JLZZUVOBSA-N 317.385 2.104 10 10 DECE CN(C)c1ccc(C(=O)NCc2ccc(O)cc2O)c(F)c1 1162277670 AZGOEFFUFWUWLW-UHFFFAOYSA-N 304.321 2.233 10 10 DECE COC(=O)C(C)(C)NCc1cc(Br)ccc1O 225912424 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CC1(C)CN(c2ccc(CO)c(Br)c2)[C@H]1CO 1944097295 RCAYDWDSJAYPFO-LBPRGKRZSA-N 300.196 2.149 10 10 DECE CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC(N=[N+]=[N-])C2)co1 1985103402 VBRRPZJYQRDGKX-UHFFFAOYSA-N 321.337 2.439 10 10 DECE C[C@H](Nc1c(N)cccc1Br)[C@H]1COCCO1 1997482191 PMDQGIDHJNDUCY-GZMMTYOYSA-N 301.184 2.247 10 10 DECE OCc1ccc(N2CC[C@@H]3[C@H](CO)[C@@H]3C2)c(Br)c1 2032241305 VNPHDFJZGJHCNB-TUAOUCFPSA-N 312.207 2.006 10 10 DECE Nc1ccc(CNC(=O)c2cccc(Br)n2)cc1 701070071 JBWRIBZBQCCCHH-UHFFFAOYSA-N 306.163 2.356 10 10 DECE C[C@@H]1CN(C)CCN(c2ccc(CO)cc2Br)C1 707361853 AUACJIRLWZOZCZ-LLVKDONJSA-N 313.239 2.329 10 10 DECE COC[C@H](CN(C)c1ccc(CO)cc1Br)OC 691371506 ZFYFVFOOCQRTDR-NSHDSACASA-N 318.211 2.039 10 10 DECE CN(C)[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 715719600 SXOBCWYSUABMRZ-NSHDSACASA-N 317.202 2.430 10 10 DECE CC1(O)CN(c2ccc(CNC3CC3)c(Br)c2)C1 394950300 XNEVNQVYAHBVKY-UHFFFAOYSA-N 311.223 2.272 10 10 DECE COc1ccc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc1 2297313179 UJYGUMNMACNTTM-UHFFFAOYSA-N 308.337 2.465 10 10 DECE C[C@H](N)[C@H](N)c1cc(Br)cc(Br)c1O 307410629 QPGRDRRDBXICLL-NVNXEXLPSA-N 324.016 2.264 10 10 DECE CC1(C)C[C@@H]1[C@](CSc1nccs1)(NC1CC1)C(N)=O 2366600559 MCHNCYMTVBSOMO-HZMBPMFUSA-N 311.476 2.257 10 10 DECE COc1ccc(O)c(CNc2ccc3c(c2)OCCNC3)c1 530180724 CPVAJELSNCBDDC-UHFFFAOYSA-N 300.358 2.495 10 10 DECE COC(=O)/C=C/c1ccc(N(C)C[C@H](C)OC)c([N+](=O)[O-])c1 286334416 JHKJFAAIYDTISD-IOCXFXADSA-N 308.334 2.252 10 10 DECE c1cc(N2CCCC2)ccc1CNC[C@H]1CN2CCC[C@H]2CO1 378899832 BPHSVCWXEJMVAI-OALUTQOASA-N 315.461 2.240 10 10 DECE CC(=O)C(=O)COC(=O)c1cc(Oc2ccccc2)ccc1O 808519800 FIAHCFXMDPZGEZ-UHFFFAOYSA-N 314.293 2.499 10 10 DECE Cc1cccc(-n2c(C)cc(C(=O)NCc3cnn(C)n3)c2C)c1 805207508 MWVSCMFKVYWREN-UHFFFAOYSA-N 323.400 2.461 10 10 DECE O[C@H](CNCc1ccc(N2CC=CC2)cc1)c1ccc(F)cn1 819096156 XRYNCJGNAQQQFR-GOSISDBHSA-N 313.376 2.420 10 10 DECE CC(=O)C(=O)COC(=O)c1sc(C)cc1Br 838455800 CSHUHJJFHZOEGE-UHFFFAOYSA-N 305.149 2.134 10 10 DECE CO[C@@H]1C[C@@H](CC(=O)O)N(Cc2ccc(N(C)C)c(C)c2)C1 846286702 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O=C(NCCC(=O)N1Cc2cccc(O)c2C1)c1ccsc1 871199942 WJAZCMHTPOZJEK-UHFFFAOYSA-N 316.382 2.116 10 10 DECE Cc1cccc(CNC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1O 1876122682 JNUSQNFAGMXKBC-KRWDZBQOSA-N 324.421 2.066 10 10 DECE COC(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C1CC1 781588126 NBBREMKJGSAGFF-QGZVFWFLSA-N 318.417 2.205 10 10 DECE CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(C)C 895569404 UEJXVRBPMWZBJP-UHFFFAOYSA-N 303.450 2.049 10 10 DECE OC[C@H]1CN(c2ccc(OCc3ccccc3)cc2)CC[C@@H]1O 1899871550 XWHOHDBRLRMJDJ-APWZRJJASA-N 313.397 2.445 10 10 DECE CN(C)c1ccc(CNc2nc(Br)cnc2N)cc1 1962725389 ADHXMWDDIIYKKT-UHFFFAOYSA-N 322.210 2.499 10 10 DECE COc1ccc(Br)c(CN[C@@]2(C)CCOC2)c1O 1964076192 FBHPUPUMCRRPAF-ZDUSSCGKSA-N 316.195 2.432 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)Nc3nocc3C)C2)cc1 1327726144 AHGHBKCCLVHDJO-GFCCVEGCSA-N 316.361 2.392 10 10 DECE O=C(CC1(C(F)(F)F)CC1)NCCc1ccc(O)c(O)c1 1322979098 DEBHJFKHYFQQMN-UHFFFAOYSA-N 303.280 2.489 10 10 DECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1356268418 YYVVDWXXSHEJMN-FVQHAEBGSA-N 300.402 2.138 10 10 DECE C/C(=C/c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccnnc1 1350268330 JEESRWNWDPFZNS-QXSWTLKVSA-N 324.384 2.487 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc2[nH]cnc12 1628726909 FEFIUNMDDPMULQ-UHFFFAOYSA-N 323.356 2.063 10 10 DECE Cc1cc(C(=O)NCc2c(O)cccc2F)c(N)c([N+](=O)[O-])c1 1558454270 DNWPDQWOZAOYCR-UHFFFAOYSA-N 319.292 2.260 10 10 DECE C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1O 1557968256 WDUGFUJLNBWCLC-NSHDSACASA-N 319.382 2.287 10 10 DECE CC(C)(C)OC(=O)NCC=CCNCc1ccc(O)c(O)c1 1911692275 MNSDALYOTZHSFO-UHFFFAOYSA-N 308.378 2.268 10 10 DECE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C 1632298798 SCNKBYCMCQPTCP-VIFPVBQESA-N 320.349 2.309 10 10 DECE COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 1587444566 KEUCFWLGSULLEZ-SNVBAGLBSA-N 300.314 2.065 10 10 DECE Cc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1[N+](=O)[O-] 1865876519 PSZUFBRCVKONKK-UHFFFAOYSA-N 304.258 2.272 10 10 DECE COC(=O)[C@H]1CCN[C@@H](c2c(O)cccc2Br)C1 1952581245 NADAMHFVPRNBIN-WCBMZHEXSA-N 314.179 2.368 10 10 DECE CN1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccc(N)cc1 1952942477 LBCRBXAIUHXCCP-CABCVRRESA-N 305.422 2.409 10 10 DECE CN(CCN=[N+]=[N-])C(=O)[C@H]1[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1985095269 BRAZJTFAVNOFCT-TUAOUCFPSA-N 323.397 2.401 10 10 DECE C[C@H]1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC1(F)F 2158371298 HABXGHQQOHDLSK-UPONEAKYSA-N 302.708 2.417 10 10 DECE CCN(CCOCCO)c1ccc([C@H](C)NC)cc1Cl 312471668 UZDHGRDEKGGVIF-LBPRGKRZSA-N 300.830 2.456 10 10 DECE O=C(NCc1ccncc1Br)c1ccc(O)c(O)c1 686582207 DGLPGQHLQZRSBQ-UHFFFAOYSA-N 323.146 2.185 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C 1635658274 NSSKOXRIKDCAON-QWHCGFSZSA-N 320.389 2.264 10 10 DECE CNCc1ccc(N2CC(C)(N(C)C)C2)cc1Br 2042508483 IKEKIWJJWJQWLP-UHFFFAOYSA-N 312.255 2.309 10 10 DECE CON1CC[C@H](NCc2cc(Br)cc(F)c2O)C1 2052631219 GPFYQHLQLKXSIM-JTQLQIEISA-N 319.174 2.019 10 10 DECE COc1ccc(Br)c(CN(C)[C@@H](C)C(=O)O)c1O 2220456101 IWTSVOXLPQUCBZ-ZETCQYMHSA-N 318.167 2.068 10 10 DECE CCN(CCN=[N+]=[N-])C(=O)c1c(Br)nn(C)c1C 2315987095 NHMHTXUZIROUMI-UHFFFAOYSA-N 315.175 2.263 10 10 DECE Cc1ccc(CN2C[C@H]3CCN[C@H]3C2)c(O)c1Br 2327621856 RMQVARZBNXTYOM-PWSUYJOCSA-N 311.223 2.257 10 10 DECE Cc1cccc(CNCc2nc(Br)cn2C)c1O 2328489852 YKGZFDRCRLGTNP-UHFFFAOYSA-N 310.195 2.486 10 10 DECE COC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O 177239633 WWEVARYVZXGPLV-AWEZNQCLSA-N 309.337 2.261 10 10 DECE CNCc1ccc(N2CCN3CCC[C@H]3C2)cc1Br 300497987 ZTBMFVZJHLYXBJ-AWEZNQCLSA-N 324.266 2.453 10 10 DECE COCCN1CCC[C@@H]1CN[C@@H](C)c1cc(OC)ccc1O 185329784 XMXADGXTUPJUPC-UONOGXRCSA-N 308.422 2.162 10 10 DECE CCc1nc2n(n1)C[C@H](N[C@H](C)c1cc(F)ccc1O)CC2 185996231 LCRRIKUTQGMAMY-ZYHUDNBSSA-N 304.369 2.351 10 10 DECE Cc1nn(C)cc1NC(=O)NCc1ccc2c(c1)CCCN2C 189696394 QVRKAIFQZVNIRA-UHFFFAOYSA-N 313.405 2.433 10 10 DECE CCN1CC[C@H](N(C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 93639581 RJUFIZHDTSSWPB-OCCSQVGLSA-N 306.406 2.283 10 10 DECE Cc1cncc(/C=C\C(=O)N2CCCc3c(C(N)=O)cccc32)c1 255918567 VKDKUOWFIRFWBO-FPLPWBNLSA-N 321.380 2.482 10 10 DECE O=C(/C=C/c1ccc(O)c(O)c1)NC1CC(N2CCCCC2)C1 365432455 SSVNGMXLDLZBNF-FNORWQNLSA-N 316.401 2.244 10 10 DECE O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc(O)c1O 376553870 QSIASWXUQJZOOZ-UHFFFAOYSA-N 319.367 2.352 10 10 DECE CN1CCCc2cc([C@@]3(N)C[C@H]4C[C@H]3CC43OCCO3)ccc21 2167077137 BHUPGVXJSFPNBD-JZXOWHBKSA-N 314.429 2.396 10 10 DECE CC(C)[C@](C)(CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 812018794 XFBPEZJDXJVGTF-INIZCTEOSA-N 311.401 2.098 10 10 DECE CC(C)C[C@H](C(=O)O)N(C)C(=O)NCc1ccc(N(C)C)cc1 908758401 JYHSZHFAPPLAHE-OAHLLOKOSA-N 321.421 2.393 10 10 DECE C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)N1CCO 835055707 YAHGMDNLCNVWPU-WZDWLKHJSA-N 317.477 2.153 10 10 DECE COc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)c1 844913062 YFPHRALUAHFWJF-LESCRADOSA-N 320.433 2.262 10 10 DECE COc1cnc(F)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 847590300 WCGKCMUYKUOWGY-VIFPVBQESA-N 320.320 2.435 10 10 DECE CCN(CC)c1ccc(CNC(=O)N[C@H]2CNCC[C@H]2C)cc1 841716628 CDSICORMEVLGDL-PBHICJAKSA-N 318.465 2.330 10 10 DECE CN(C1CCCCC1)S(=O)(=O)NCc1c(O)cccc1F 921452695 WOECAMUUIYTSLH-UHFFFAOYSA-N 316.398 2.130 10 10 DECE COc1ccc(CNC(=O)NCC[C@H]2CC2(F)F)c(O)c1 856880907 FAWXNFSJBPBBMY-JTQLQIEISA-N 300.305 2.245 10 10 DECE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCSCC2)cc1 756096628 BHLQAIYTEATAIN-RHSMWYFYSA-N 305.491 2.280 10 10 DECE C[C@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1O 926635597 PNUCRBPRJJRASU-FQUUOJAGSA-N 302.374 2.344 10 10 DECE CC(=O)c1cc(F)cc(CN2CCC[C@](O)(C3CC3)C2)c1O 852503551 WXBUWKFRVVCYSB-QGZVFWFLSA-N 307.365 2.471 10 10 DECE CN1C(=O)C(=Cc2csc(Cl)c2Cl)C(=O)N(C)C1=O 761374652 BUURJHDINSBQJV-UHFFFAOYSA-N 319.169 2.489 10 10 DECE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CCOC1 784538178 OKUSRRAWUIONRO-OAHLLOKOSA-N 305.422 2.321 10 10 DECE Cc1ccc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)c(O)c1O 780984383 LRYFYLVLGSTVHF-JSGCOSHPSA-N 307.390 2.467 10 10 DECE Cc1cc(CCNC(=O)c2cnnn2C)c(C)n1-c1ccccc1 798851626 NDAKALTUCWCOEB-UHFFFAOYSA-N 323.400 2.195 10 10 DECE O=C(Cc1ccc(-n2ccnc2)cc1)NCc1cc(O)ccc1O 1303225925 SOVBYDGXCICKAK-UHFFFAOYSA-N 323.352 2.142 10 10 DECE Cc1ccc(C(=O)OC[C@]2(OC(C)C)CCOC2)c(O)c1O 1327070090 DJTXJZCMNBRIFF-INIZCTEOSA-N 310.346 2.147 10 10 DECE COc1ccc(O)c([C@H](C)NC(=O)C2(N(C)C)CCCC2)c1 1545684136 LKPHMIMOZKCQAE-LBPRGKRZSA-N 306.406 2.452 10 10 DECE CN(C(=O)c1ccoc1CC(N)=O)c1cccc2cccnc12 1556321847 SUMOAGSNXCNOGG-UHFFFAOYSA-N 309.325 2.132 10 10 DECE O=C(Nc1c[nH]c(C(=O)N2CCCC2)c1)c1cc(O)cs1 1556103261 LZAXDPWLYXGSSE-UHFFFAOYSA-N 305.359 2.270 10 10 DECE CN(Cc1ccccc1O)C(=O)[C@@](C)(O)c1ccc(F)cc1 1635658383 SMCKRAIVYHSFIM-KRWDZBQOSA-N 303.333 2.397 10 10 DECE O=C(Cc1cc2ccccc2c(O)n1)NCc1cccc(O)c1O 1643812747 OKDZOEBLFTYIOX-UHFFFAOYSA-N 324.336 2.211 10 10 DECE O=C(O)[C@@H]1CC12CN(Cc1c(O)cccc1Br)C2 1914739707 SVXTWDXKBGBMPW-VIFPVBQESA-N 312.163 2.061 10 10 DECE Cn1c(NC(=O)Cc2ccc(O)c(O)c2)nc2c(F)cccc21 1596119603 KRICRXUKUFUTFA-UHFFFAOYSA-N 315.304 2.305 10 10 DECE Cc1cc(N)cc(S(=O)(=O)Nc2cccc(N(C)C)c2)c1 161067957 VTUOZRUWVMDWSP-UHFFFAOYSA-N 305.403 2.444 10 10 DECE 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COc1ccc(O)c(CNC(=O)N[C@H](C)c2cscn2)c1 853736965 WBPDBHUXCRYAEA-SECBINFHSA-N 307.375 2.418 10 10 DECE Nc1ccc(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)cc1 851633627 OXZVURAIVBXHFZ-NEPJUHHUSA-N 318.295 2.191 10 10 DECE CC[C@@H](C)OCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855234099 SCNMFNVJGZXHRX-ZIAGYGMSSA-N 306.406 2.205 10 10 DECE CCS(=O)(=O)C1(CN[C@H](C)c2cc(F)cc(F)c2O)CC1 850558654 SLLAVLYASDPHQQ-SECBINFHSA-N 319.373 2.288 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(COC2)C1 853411678 KZYDRKGYGKYKTI-UHFFFAOYSA-N 315.417 2.219 10 10 DECE C[C@@H]1O[C@H](C)[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 858862657 NNBLBZLLJMIEPN-JFILPPLUSA-N 305.422 2.364 10 10 DECE C[C@H](NC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1O 868730762 BLEBKKRRBFXULJ-WCQYABFASA-N 319.405 2.152 10 10 DECE CCN(C(=O)C(=O)N(C)Cc1ccccc1O)C1CC(C)(C)C1 1117951139 LTRKZSMTKVKOSF-UHFFFAOYSA-N 318.417 2.388 10 10 DECE C[C@@H]1CO[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 896270708 VHNMFMJGABWZHJ-YSVLISHTSA-N 319.401 2.325 10 10 DECE O=C(O)[C@]12C[C@H]1CN(Cc1cc(Br)ccc1O)C2 703516335 FJHVZARTRONXAL-ZANVPECISA-N 312.163 2.061 10 10 DECE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3C)c(Br)cc21 706732517 SLVBSLJUVJTVRA-MADCSZMMSA-N 310.195 2.260 10 10 DECE CC(C)CCCNS(=O)(=O)CCOc1ccc(N)cc1 70490735 LUGZQFOMAQCCCT-UHFFFAOYSA-N 300.424 2.003 10 10 DECE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1 1545697439 MMHJGPSOMUMCGN-LBPRGKRZSA-N 315.369 2.436 10 10 DECE O=C(O)C=Cc1ccc(N2CCC[S@](=O)CC2)cc1Cl 1912068368 RPJNJQRPRYFKIE-FQEVSTJZSA-N 313.806 2.397 10 10 DECE CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 1648606605 UFIKHBPRPUYKPC-UHFFFAOYSA-N 305.765 2.437 10 10 DECE COc1cccc(OCC(=O)NCc2cc(C)ccc2O)c1 1645800379 DYDDSWRWMSVRNL-UHFFFAOYSA-N 301.342 2.404 10 10 DECE Cn1cc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)cn1 1586681787 NYOWJOLBLYZMRU-DJWKRKHSSA-N 305.284 2.137 10 10 DECE Cc1nc2c(C(=O)O)c(C)nn2c(O)c1Cc1ccc(F)cc1 105372707 GOOKZBNOXYUUGM-UHFFFAOYSA-N 315.304 2.480 10 10 DECE CCCCC(=O)N[C@@H]1CCCN(CCOc2ccc(N)cc2)C1 586051679 CLBQURWXWKNUPY-MRXNPFEDSA-N 319.449 2.418 10 10 DECE C[C@H](N)c1ccc(N(C)C(C)(C)C(N)=O)cc1Br 1915542975 NATGEILXSZIBSL-QMMMGPOBSA-N 314.227 2.169 10 10 DECE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2C(=O)NCCN=[N+]=[N-])C1 1901215766 JKBYMFWSMIOSTN-LLVKDONJSA-N 323.397 2.450 10 10 DECE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](O)[C@H](N)c1ccccc1O 1920311844 KIIPCXVIONVMPC-KGLIPLIRSA-N 324.421 2.304 10 10 DECE COc1ccc(N(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1938942746 XCZMTINGSAUMEV-ZDUSSCGKSA-N 324.377 2.109 10 10 DECE CC(C)(C)OC(=O)N[C@H](CCCO)Cc1ccc(O)c(O)c1 1951505579 BRUQUUZHTBRLMQ-GFCCVEGCSA-N 311.378 2.306 10 10 DECE COc1cc(Br)cc([C@@H](N)CCCC(=O)O)c1O 1952139045 GEYMNEACOCBASN-VIFPVBQESA-N 318.167 2.418 10 10 DECE COC(=O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 1989315844 OLHYHDDCGGJEQB-UHFFFAOYSA-N 313.357 2.476 10 10 DECE OCc1ccc(N2CC(F)(F)C[C@@H]2CO)c(Br)c1 2041126929 IWRSGXLTNYWGMG-SECBINFHSA-N 322.149 2.148 10 10 DECE CC[C@H](NCc1cccc(Br)c1O)C(=O)OC 310161567 LMVWCFWMTOVXPH-JTQLQIEISA-N 302.168 2.196 10 10 DECE CCN(C[C@H](C)O)c1cc(Br)c(CN)cc1F 691437435 XZINJHRTFUTNPV-QMMMGPOBSA-N 305.191 2.254 10 10 DECE CN(C)c1ccc([C@H](N)c2cnn(C)c2Br)cc1 2044710474 IYPYDFPQVHCZRW-LBPRGKRZSA-N 309.211 2.297 10 10 DECE C[C@@H](O)c1ccc(N2CCN(C)[C@H]3C[C@H]32)c(Br)c1 2049407748 JEATXVWXFWCERS-BIGNPOOSSA-N 311.223 2.395 10 10 DECE CC[S@@](C)(=O)=NCCN[C@H](C)c1ccc(OC)cc1O 2187310510 WNPNUMNRPBZOMK-BIBXISHDSA-N 300.424 2.169 10 10 DECE C[C@@H](O)[C@@H]1CCCN1c1ccc(CN)c(Br)c1F 2073322688 MNXYQOGTTZTHQU-SCZZXKLOSA-N 317.202 2.397 10 10 DECE O=C(O)C[C@H]1CSCCN1Cc1ccc(Cl)cc1O 2090119781 SCGNRCFNKZVFKY-NSHDSACASA-N 301.795 2.438 10 10 DECE CN(Cc1ccc(N)cc1)C(=O)c1cc(Br)n(C)n1 2094080224 NKPDMBWTCZZCGC-UHFFFAOYSA-N 323.194 2.037 10 10 DECE C[C@H](N=c1[nH]nc(Br)s1)c1c(O)cccc1O 2213671086 ZBRIYPXJPOOKGC-YFKPBYRVSA-N 316.180 2.307 10 10 DECE CCOC(=O)c1c[nH]nc1CNCc1cnc(SC)s1 2284541253 KAPUWYQKILQNEV-UHFFFAOYSA-N 312.420 2.055 10 10 DECE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)c1nccs1 2308715634 BHWAFTVSINOWKS-SNVBAGLBSA-N 304.371 2.487 10 10 DECE CN(C)c1ccc(C=CC(=O)N2CC[C@H](N3CCCC3)C2)cc1 2320615718 LHDDTPAHVNVDMY-SFHVURJKSA-N 313.445 2.463 10 10 DECE CSc1ncc(CN[C@]2(C(=O)O)CSC[C@@H]2C)s1 2322203951 LGPYWWYTVAXYLP-WRWORJQWSA-N 304.462 2.161 10 10 DECE Cn1cc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cn1 171361383 MJUFWJYZSJSXLK-CYBMUJFWSA-N 301.346 2.192 10 10 DECE CN1CCc2cc(CN[C@H]3C[C@H]3NC(=O)OC(C)(C)C)ccc21 300212430 WNODFZBTNOZUOJ-LSDHHAIUSA-N 317.433 2.434 10 10 DECE O=C(O)c1cccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 70330072 HIYOXJCZBIAFMN-UHFFFAOYSA-N 311.290 2.030 10 10 DECE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cccc(N)c1 40337710 GIOAOCHMJBXPPI-LLVKDONJSA-N 306.387 2.356 10 10 DECE COC(=O)[C@@H](NCc1cccc(Br)c1O)C(C)C 42411913 VGTNGNGTXKSJBY-NSHDSACASA-N 316.195 2.442 10 10 DECE CCN(CC)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1F 92097896 IUFIKIBKLOUTRN-INIZCTEOSA-N 307.413 2.382 10 10 DECE CCOc1ccc(O)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 378418185 COKIULPRUVMTGB-YOEHRIQHSA-N 307.390 2.219 10 10 DECE C[C@H]1OCC[C@@H]1N(CCO)Cc1cc(Cl)cc(F)c1O 825129878 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CCS(=O)(=O)C1(CN[C@H](C)c2cccc(OC)c2O)CC1 850559102 XIJPMMUULKBMDQ-LLVKDONJSA-N 313.419 2.019 10 10 DECE COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)[C@@H]3C)C2)cc1 854297829 RXEIECXCLODJKT-IHRRRGAJSA-N 303.406 2.324 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C 868899157 RUFHAGYVQUOWMI-DVOMOZLQSA-N 305.422 2.426 10 10 DECE COc1ccc(N2CCN(C(=O)[C@H](N)CCC(C)C)CC2)cc1 876707821 BEFLYMXWICEQMW-QGZVFWFLSA-N 319.449 2.107 10 10 DECE Cn1ccc(CCC(=O)Nc2c(Cl)ccc3nonc23)n1 1128704533 OHKPQOCWWHXCHD-UHFFFAOYSA-N 305.725 2.181 10 10 DECE COc1cccc(O)c1CNC[C@@H](O)Cc1ccc(F)cc1 886238813 JDPKXWJBNMENCZ-AWEZNQCLSA-N 305.349 2.233 10 10 DECE O=C(NCc1ccc(N2CCCC2)cc1)c1cncc2nc[nH]c12 895711373 QAUUKMKBWVCVGA-UHFFFAOYSA-N 321.384 2.488 10 10 DECE CCOc1cccc(CC(=O)N(C)Cc2ccccc2O)n1 797931189 BEBZHFQXERKRNH-UHFFFAOYSA-N 300.358 2.387 10 10 DECE Cn1cc(Br)c(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)n1 693500446 GQTSKBCXCMJRAX-ZETCQYMHSA-N 313.159 2.098 10 10 DECE 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323.784 2.233 10 10 DECE CCOCc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1629858960 QXKBLDADIWMLGZ-UHFFFAOYSA-N 315.369 2.493 10 10 DECE O=C(N=[S@@]1(=O)CCc2ccccc21)c1cccc(O)c1O 1558469488 NQGLBYWVSPYOCY-OAQYLSRUSA-N 303.339 2.321 10 10 DECE COc1ccc(CN[C@H](C)CNC(=O)[C@H](C)SC)cc1C 1491397503 BAYTXLPVPASCQC-OLZOCXBDSA-N 310.463 2.349 10 10 DECE O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)cn1 1637035281 QDXHZIVNUDBDRP-UHFFFAOYSA-N 312.247 2.442 10 10 DECE O=C(NCCc1ccc(O)c(O)c1)c1c[nH]nc1-c1ccco1 1595753357 YNKQJESOOZMWQE-UHFFFAOYSA-N 313.313 2.053 10 10 DECE O=C1Nc2cc(N3CC4(CCC4)C3)c(Br)cc2[C@@H]1O 1914950502 KAOLFHVQLITQBD-LBPRGKRZSA-N 323.190 2.425 10 10 DECE CC(C)(C)OC(=O)N1CCC(O)([C@H](N)c2ccccc2O)CC1 1921879241 ACGWESZJDRFGBA-CQSZACIVSA-N 322.405 2.154 10 10 DECE CO[C@@H](CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928468155 SXIKZOJHQWKXBL-KBPBESRZSA-N 310.394 2.322 10 10 DECE CN1CCc2cc(CNCCONC(=O)OC(C)(C)C)ccc21 1936935097 LKGXIEWMAALFFD-UHFFFAOYSA-N 321.421 2.225 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 1985094153 KQAAKPRRYIVVRG-ZIBATOQPSA-N 321.381 2.155 10 10 DECE CN1CCO[C@H](CSc2ncc(CNC(C)(C)C)s2)C1 2155332090 HQGDERGNSBFDGI-NSHDSACASA-N 315.508 2.454 10 10 DECE C[C@@H]1C[C@@H](O)CCN1c1ccc(CO)c(Br)c1 705182805 IJXZITKRIQVNHD-SKDRFNHKSA-N 300.196 2.291 10 10 DECE C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1O 694722079 VLAJLVJTRDMDIK-JQWIXIFHSA-N 301.383 2.149 10 10 DECE Cn1[nH]c(CNCc2cc(Cl)cc(Cl)c2O)cc1=O 391365549 AFYSOZNXTGBWHP-UHFFFAOYSA-N 302.161 2.016 10 10 DECE O=C(Nc1ccc(O)c(O)c1)C1CCC(NC(=O)C2CC2)CC1 2064782903 UAKKKFAUGWSTLX-UHFFFAOYSA-N 318.373 2.121 10 10 DECE CN[C@H](C)c1cc(F)c(N2CCSC[C@H]2CO)c(F)c1 2194691881 VYWRSCWFZHBMRL-MWLCHTKSSA-N 302.390 2.159 10 10 DECE C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H]1C(=O)O 1910997219 HNWBHHCIDFNQNI-HQJQHLMTSA-N 300.152 2.060 10 10 DECE CN1C[C@H]2CC[C@H]1CN2c1ccc(CO)c(Br)c1 2066621279 FLMSWGLFKPWXJP-QWHCGFSZSA-N 311.223 2.224 10 10 DECE OCc1ccc(N2CC[C@@H](CO)C23CC3)cc1Br 2070129291 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CN1CCC[C@H](N(C)c2ccc(CN)cc2Br)C1 213041013 GCJZRASMXAINCS-LBPRGKRZSA-N 312.255 2.438 10 10 DECE O=C1[C@@H](NCc2ccccc2O)CCN1Cc1ccc(F)cc1 191769645 PVLDVPKIHSZZMM-INIZCTEOSA-N 314.360 2.422 10 10 DECE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)Cc1ccccc1C 244240067 WGLWZQLSCCJUEO-UHFFFAOYSA-N 318.398 2.460 10 10 DECE Cc1c(C(=O)NCc2cc(Br)ccc2O)cnn1C 804734411 JXRLCFWJOJQCDA-UHFFFAOYSA-N 324.178 2.127 10 10 DECE CC(=O)C(=O)COC(=O)c1sc(-c2ccc(C)o2)nc1C 808503248 ITOUUPOYJWZHSH-UHFFFAOYSA-N 307.327 2.335 10 10 DECE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCc3nc[nH]c3C2)c1 810253677 ZYRCRWNCGITUIV-PWSUYJOCSA-N 315.373 2.110 10 10 DECE O=S(=O)(CC[C@@H]1CCCCN1)Nc1ccc(O)c(Cl)c1 722223409 JXBGMNHBPZEVDC-JTQLQIEISA-N 318.826 2.320 10 10 DECE c1csc(SCCCN[C@@H]2CCO[C@@]23CCOC3)n1 903097255 FCCPRJRPVLZMGW-DGCLKSJQSA-N 300.449 2.163 10 10 DECE CC(C)(C)[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 907782965 QANYBOIIKNATDS-ZDUSSCGKSA-N 309.387 2.449 10 10 DECE CC(C)COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904065513 SUCPSDNDDUDLCU-OSJSJHBBSA-N 320.433 2.481 10 10 DECE CCCc1ncc(CNC(=O)NCc2ccc(OC)cc2O)o1 836636721 TVZYZXMPRJXHIY-UHFFFAOYSA-N 319.361 2.341 10 10 DECE Oc1c(Br)cccc1CN1CCNC[C@@H]1C(F)F 843124877 ODVNTQXSZPVHMP-SNVBAGLBSA-N 321.165 2.194 10 10 DECE COc1ccc2ccc(O)c(CN3CN(C)C(=O)[C@H]3C)c2c1 842641484 OJDZZWWSNBZUCO-LLVKDONJSA-N 300.358 2.174 10 10 DECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](O)C1CCC1 840555656 RPBFZRRQFWHSFR-CXAGYDPISA-N 304.434 2.269 10 10 DECE Oc1c(Br)cccc1CN(C1CC1)[C@@H]1CCNC1 843055771 PAOHGWPMMOMGSY-GFCCVEGCSA-N 311.223 2.481 10 10 DECE CN(C[C@@H]1CCC[C@@H]1O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844213975 BWMDDBQIURPUGL-XIACAKRESA-N 320.345 2.290 10 10 DECE Oc1ccc(Cl)c(F)c1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 922727181 OEJATAFQCMIMJH-ZDMBXUJBSA-N 301.745 2.078 10 10 DECE CN(C)c1ccc([C@@H](N)CN[C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)cc1 925689092 GIDZTVMUOVDZAM-VSZNYVQBSA-N 316.493 2.119 10 10 DECE C[C@H](N[C@@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 858434776 PEWSIDWQQVQQFH-LRDDRELGSA-N 315.417 2.389 10 10 DECE CSC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 924716010 HRUWMNOIVSKYQD-MFKMUULPSA-N 307.419 2.097 10 10 DECE COc1ccc(N2CC[C@H](N[C@H]3C[C@H]4CC[C@@H](N4)[C@H]3C)C2)cc1 925714797 WWFQMDRNNVSWSV-HIGHGGLBSA-N 315.461 2.393 10 10 DECE Cn1nccc1[C@H](O)CNCc1ccc(N2CCCCC2)cc1 922974504 WOMSCUUHAZETEZ-GOSISDBHSA-N 314.433 2.234 10 10 DECE COc1ccc(N2CC[C@@H](NC(=O)N3CC4CC3(C)C4)C2)cc1 854295928 FBXKCLHUOHFVKW-TXKKKEFDSA-N 315.417 2.468 10 10 DECE C[C@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C 925328133 UXIMIKXSDFMSDM-LRDDRELGSA-N 317.433 2.163 10 10 DECE COc1cccc([C@@H](C)N[C@@H](C)CN(C)CCCN(C)C)c1O 850502639 YMLYAEHTJZUONS-LSDHHAIUSA-N 323.481 2.323 10 10 DECE CCOc1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 862432589 JOMSQBAHOAVRCH-SFHVURJKSA-N 317.385 2.494 10 10 DECE Cc1cc(CC(=O)NC[C@@H]2COCO2)c(C)n1-c1ccccc1 861982094 AJBSIGSTCSLGHC-QGZVFWFLSA-N 314.385 2.126 10 10 DECE CCOc1ccc(O)c(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)c1 863653516 MJEGNSYOMVYOGY-NKKGCODLSA-N 302.418 2.221 10 10 DECE CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 876299164 IUJVKQNZEFGACL-LSDHHAIUSA-N 304.390 2.349 10 10 DECE O=C(COC(=O)c1ccc(C2CC2)cn1)c1ccc(O)c(O)c1 784100027 XKXIRPQLBGCMKN-UHFFFAOYSA-N 313.309 2.410 10 10 DECE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCC1=O 897440452 VXXJXPFQSSSTCE-MRVPVSSYSA-N 305.355 2.364 10 10 DECE Cn1cc(C(=O)NCc2c(O)cccc2F)c(-c2ccco2)n1 1303875954 SCPVQDCZHKERMN-UHFFFAOYSA-N 315.304 2.455 10 10 DECE Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1O 1165498743 QCNVYORJPDCNBN-UHFFFAOYSA-N 309.709 2.222 10 10 DECE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)CCCC(F)(F)F 692823274 LFBSMJZJTCFOPF-MRVPVSSYSA-N 300.306 2.433 10 10 DECE CC[C@H](C(=O)O)N(C)Cc1ccc(Br)cc1O 691413961 LZUHCTQPIBIQSV-SNVBAGLBSA-N 302.168 2.450 10 10 DECE CN(Cc1ccccc1O)C(=O)CCc1nnc(C(F)F)o1 1348563138 ZRPDJXNNPFYRKC-UHFFFAOYSA-N 311.288 2.304 10 10 DECE Cc1cc(NC(=O)c2cccc(O)c2O)n(C2CCOCC2)n1 1295255130 UWJVVDKGNHINBN-UHFFFAOYSA-N 317.345 2.207 10 10 DECE Cc1ccc(O)c(CNC(=O)c2cc(C)nc3cc(C)nn23)c1 1453646516 AMXJLBLGPYUSIO-UHFFFAOYSA-N 310.357 2.290 10 10 DECE CCOc1ccc(N2CCN(C(=O)CCCCCO)CC2)cc1 1466210651 MUOINKKOPQKZLV-UHFFFAOYSA-N 320.433 2.287 10 10 DECE COCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)o1 1567031498 PHSRQPIQPZXPMH-ZDUSSCGKSA-N 319.357 2.436 10 10 DECE COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CC2 1648690072 FROUAULFWPMSRJ-GORDUTHDSA-N 324.336 2.176 10 10 DECE C[C@H](NC(=O)c1ccc(-n2cccn2)nc1)c1ccccc1O 1643741859 CJOGJPQOQCBJAH-LBPRGKRZSA-N 308.341 2.464 10 10 DECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)c1ccccc1 153947764 ZFIDVJFFZWNZFS-KRWDZBQOSA-N 311.385 2.178 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@@](F)(CO)C2)cc1Br 1917065984 VKAONNOUUFCORE-RNCFNFMXSA-N 317.202 2.380 10 10 DECE CNC(=O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1932051135 IATIODYWVPXYLY-UHFFFAOYSA-N 301.365 2.037 10 10 DECE CC(C)(C)OC(=O)N1CCOC[C@H]1COc1ccc(N)cc1 1952924908 JTCPQGBOFWSNMY-ZDUSSCGKSA-N 308.378 2.284 10 10 DECE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)NCCCN=[N+]=[N-])C1 1985102323 FNHGMFQPTXWXNZ-XHDPSFHLSA-N 323.397 2.450 10 10 DECE Oc1ccc(CNC[C@@]2(Br)CC2(F)F)c(O)c1 2023772762 CYKGKNYMUDCNSM-JTQLQIEISA-N 308.122 2.360 10 10 DECE C[C@@H]1C[S@@](=O)CCN1c1ccc(CO)cc1C(F)(F)F 2171961639 CEMUKVIRFZIPEF-YBYGRFCBSA-N 307.337 2.155 10 10 DECE COc1cccc(O)c1[C@@H](C)n1nccc1C(=O)NC1CC1 2069943014 QQKSGJLFSDZWCZ-SNVBAGLBSA-N 301.346 2.099 10 10 DECE Cc1nn(Cc2cc(Br)ccc2O)cc1C(=O)O 2070218717 DHAFUBVXCMHNHS-UHFFFAOYSA-N 311.135 2.406 10 10 DECE COC[C@](C)(CNCc1ccc(Br)cc1O)OC 2077511511 XJDWYCXKYZTCLX-ZDUSSCGKSA-N 318.211 2.296 10 10 DECE CN1CC[C@H]2CCN(c3ccc(CN)cc3Br)C[C@H]21 2102329842 JAVMBCGDJBMUQU-SWLSCSKDSA-N 324.266 2.438 10 10 DECE C[C@@H](N)c1ccc(N2CC[C@]3(O)C[C@H]3C2)cc1Br 2254113810 HZMGTYFXXWJWOH-BFVZDQMLSA-N 311.223 2.430 10 10 DECE Nc1ccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1 2244260429 SOVUQYGDNKQDSU-CYBMUJFWSA-N 315.339 2.302 10 10 DECE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S 2293031263 ZUVZZNBYZGLVRK-NSHDSACASA-N 322.411 2.392 10 10 DECE Oc1cccc(Br)c1CN1CCN[C@@H]2CCC[C@H]21 2319302339 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Cc1cc(N(C)C)ccc1CN1CC[C@H](N(C)C(=O)N(C)C)C1 827544470 BMAKIJANZPLKAY-KRWDZBQOSA-N 318.465 2.249 10 10 DECE Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)n1cccn1 827956838 RHFITAOEGIBYEX-UHFFFAOYSA-N 300.406 2.309 10 10 DECE COc1cc(Cl)cc(CN(CCO)[C@@H]2CCO[C@@H]2C)c1O 825130255 QQULGZMDNBVHAM-ZWNOBZJWSA-N 315.797 2.026 10 10 DECE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](O)C(F)(F)C2)c1O 826958551 RLSHSVSGLXCJHA-JTQLQIEISA-N 322.695 2.156 10 10 DECE CN(C/C=C\c1ccc(N(C)C)cc1)Cc1nnc2n1CCC2 835025299 HLBRXJGUFJVKHN-XQRVVYSFSA-N 311.433 2.436 10 10 DECE CC(=O)Nc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1 586735477 OFQFXHZJRCBDTC-UHFFFAOYSA-N 302.286 2.014 10 10 DECE CC(C)N1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 588405666 YCKXQWBGSFBOAF-DDJMYBDESA-N 318.417 2.348 10 10 DECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2c(s1)CCC2 841416925 LHIZFPMQSXPSFQ-VIFPVBQESA-N 318.398 2.404 10 10 DECE CC1(O)CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1 749292692 WRQFCQDAYCLKDF-UHFFFAOYSA-N 322.424 2.446 10 10 DECE CC(=O)c1cc(F)cc(CN2CC[C@]3(CCCCN3)C2)c1O 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CC(C)(C)OC(=O)N[C@H](C=CCN)Cc1ccc(O)c(O)c1 1951539040 HGTLPFJSXLRIPO-GFCCVEGCSA-N 308.378 2.049 10 10 DECE COc1cccc([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1O 1952762824 NGFBUBZHZALOSD-QFYYESIMSA-N 323.345 2.225 10 10 DECE CC1(NC(=O)OC(C)(C)C)CN(C(=O)Nc2ccc(N)cc2)C1 1979148429 XOEQEADSAVPNRO-UHFFFAOYSA-N 320.393 2.400 10 10 DECE CN(CCCN=[N+]=[N-])C(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1985095125 ZHTSEEZLTIVWQW-GHMZBOCLSA-N 323.397 2.258 10 10 DECE CS[C@@H]1COC[C@H]1NCc1cc(Br)ccc1O 2026377476 ICAVPTVGEDSABE-ZYHUDNBSSA-N 318.236 2.375 10 10 DECE C[C@H](N)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(Br)c1 2029644788 KPDLNXIFOXSCCU-NURSFMCSSA-N 311.223 2.287 10 10 DECE COc1ccncc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 313351303 NJOGBVCQZFCCPP-UHFFFAOYSA-N 314.750 2.250 10 10 DECE COC(OC)[C@@H](C)NCc1c(O)cccc1Br 706804232 DZKKRXUHMAFLIY-MRVPVSSYSA-N 304.184 2.252 10 10 DECE CN1CCO[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 769484925 WUOCLNZOSJVNGL-CHWSQXEVSA-N 317.216 2.214 10 10 DECE CN[C@]1(C(N)=O)C[C@@H](Sc2nccs2)CC2(CCC2)C1 2183536939 CKPUOHHNDLNMAE-IINYFYTJSA-N 311.476 2.402 10 10 DECE NCc1cc(F)c(N2CC=CC[C@H]2CO)cc1Br 2056276056 BPZIOCCUZINQJX-JTQLQIEISA-N 315.186 2.174 10 10 DECE NCc1ccc(N2[C@H]3CC[C@@H](C3)[C@H]2CO)c(Br)c1 2058372044 AKDIMAJRSANDBU-COPLHBTASA-N 311.223 2.257 10 10 DECE Oc1cc(O)c(CNC[C@@H]2CCCO2)cc1Br 2248033972 VTOZKTWYZRHBLP-VIFPVBQESA-N 302.168 2.129 10 10 DECE CN(CCC1CCOCC1)C(=O)C=Cc1ccc(O)c(O)c1 2308002232 KGBOQLSKRHOOIO-UHFFFAOYSA-N 305.374 2.386 10 10 DECE CSc1ncc(CN[C@@]2(C(=O)O)CSC[C@@H]2C)s1 2322203948 LGPYWWYTVAXYLP-CPCISQLKSA-N 304.462 2.161 10 10 DECE CSc1ncc(CNC2(C(=O)O)CCSCC2)s1 2323437160 XBEIZXURNOSPAI-UHFFFAOYSA-N 304.462 2.305 10 10 DECE CO[C@H]1CC(=O)N(Cc2ccc(C)c(Br)c2O)C1 2327606881 OOXYNHHQODXYGG-JTQLQIEISA-N 314.179 2.210 10 10 DECE