smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@@H](C)[C@@H](CO)NC(=O)CCn1cnc2ccccc2c1=O 217641382 OPXDSIWDYVTYCM-IUODEOHRSA-N 317.389 1.310 70 50 DDIA biogenic Cc1ncc(Cl)c(C(=O)N2CCCn3nc(CO)cc3C2)n1 216954770 AUVVQYGUCGOPHV-UHFFFAOYSA-N 321.768 1.173 70 50 DDIA Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@@H](N)C2)n1 160293324 DUHHWSPJUJGWKL-LLVKDONJSA-N 304.325 1.199 70 50 DDIA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1cccc(O)c1 160146977 MBOZLQQCQUWGAG-SECBINFHSA-N 309.391 1.782 70 50 DDIA O=C(c1cnc2ccccc2c1)N1CCN(Cc2nnc[nH]2)CC1 216916080 FLQIVTFGUOYZIY-UHFFFAOYSA-N 322.372 1.311 70 50 DDIA CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2CN)c1 160260181 XZWRKMYEWYZNFE-SNVBAGLBSA-N 314.382 1.183 70 50 DDIA OCc1cc2n(n1)CCN(c1cc(N3CCCCC3)ncn1)C2 217452215 PHPUCZRWBCKWJL-UHFFFAOYSA-N 314.393 1.176 70 50 DDIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c13)C2 217446878 XCZVDFVXRADDMS-MRXNPFEDSA-N 312.373 1.406 70 50 DDIA Cc1cccc(S(=O)(=O)N(C)[C@H](C)CO)c1Br 161307070 AIMBMTRZNTXBAI-SECBINFHSA-N 322.224 1.759 70 50 DDIA CC(C)n1cnnc1CN(C)c1cc(C2CC(O)C2)ncn1 218098407 YWUXDCRHKIIPMV-UHFFFAOYSA-N 302.382 1.524 70 50 DDIA O=C(c1cnco1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217183169 HFFJLWJGINVLSY-MRXNPFEDSA-N 324.340 1.609 70 50 DDIA CCn1ncnc1[C@H](NC(=O)c1ccc2[nH]nnc2c1)C1CC1 218187942 LFCVNGAWXZEGFC-CYBMUJFWSA-N 311.349 1.450 70 50 DDIA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(F)c1O 218698982 AVSCYTWUOPFMJY-ZDUSSCGKSA-N 322.380 1.905 70 50 DDIA COc1cc(C(=O)N[C@@H]2COCC[C@H]2OC)c2ccccc2n1 217781511 QOTFRUVNKAJZIV-HUUCEWRRSA-N 316.357 1.777 70 50 DDIA CC(C)c1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(O)c(C(C)C)c1 217360622 GHHPXWHUSOGDQM-UHFFFAOYSA-N 318.377 1.980 70 50 DDIA Cc1nc(N)sc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 217182338 XBIJGAXFPGZCIB-GFCCVEGCSA-N 324.450 1.361 70 50 DDIA O=C(c1cccc2c1NCCC2)N1CCn2nc(CO)cc2C1 217774783 UBCVHIYCTVEMJZ-UHFFFAOYSA-N 312.373 1.390 70 50 DDIA O=C(NCCn1ccnc1)c1cc(=O)[nH]c2ccc(F)cc12 217647203 VKWAKQCHGDWCLR-UHFFFAOYSA-N 300.293 1.294 70 50 DDIA CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 218262821 SPRNRTQZRMBKGI-OLZOCXBDSA-N 322.430 1.270 70 50 DDIA CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ncn[nH]2)c1 160034010 SAYWKZUAMPZYLB-ZDUSSCGKSA-N 313.361 1.212 70 50 DDIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1ccccn1 218403029 IVXWDDGMPBOXQR-UHFFFAOYSA-N 320.352 1.622 70 50 DDIA COCCNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 218443896 CGZCVLDUPDTPPG-UHFFFAOYSA-N 302.378 1.877 70 50 DDIA CC(C)c1nc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)no1 159580799 MDPQIURRUPDIHF-OAHLLOKOSA-N 315.333 1.555 70 50 DDIA COc1ccc2c(c1)CCN(C(=O)c1n[nH]c(N)c1Cl)C2 218483125 NUHJDZBMOXICST-UHFFFAOYSA-N 306.753 1.852 70 50 DDIA C[C@H](O)c1cc2n(n1)CCN(c1cccc(C(=O)N(C)C)n1)C2 217555906 CXHNYNSBPKOCIN-NSHDSACASA-N 315.377 1.053 70 50 DDIA O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Cl)cc2)C1 59530739 WVJRJNYICGIAJU-SSDOTTSWSA-N 303.723 1.052 70 50 DDIA COC(=O)CNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 218491218 RIHJQQFCFFASLN-UHFFFAOYSA-N 316.361 1.404 70 50 DDIA CCC(CC)CNC(=O)N1CCN(Cc2nccn2C)CC1 160552747 ITASTBRZDYZQBG-UHFFFAOYSA-N 307.442 1.684 70 50 DDIA C[C@@H](Cn1cncn1)NC(=O)C1CCN(Cc2ccco2)CC1 218338030 KUDVMJFETIUXBL-ZDUSSCGKSA-N 317.393 1.288 70 50 DDIA CN(C)C(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161093471 WMHWQIWPTZAORS-QWHCGFSZSA-N 316.323 1.901 70 50 DDIA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCN 160143932 KGDPVIJKYSSOEN-MRVPVSSYSA-N 318.204 1.577 70 50 DDIA CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(N(C)C)cc2F)C1=O 160567998 QYIORIMJYAAPRE-ZDUSSCGKSA-N 321.352 1.157 70 50 DDIA CN(C)[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]2CCO[C@H]21 218492194 CPCFAXVQIHJLJH-SLBVQIDZSA-N 302.374 1.069 70 50 DDIA CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C1CC(O)C1 218329117 LDPFHDMQPNGQEN-KTOWXAHTSA-N 323.336 1.932 70 50 DDIA COC(=O)[C@@H](C)N1CCN(C(=O)Nc2cccc(C)c2)CC1 160267675 AZGVBFRNGJUJMK-CYBMUJFWSA-N 305.378 1.706 70 50 DDIA COc1cc(F)c(S(=O)(=O)Cl)cc1S(=O)(=O)F 238854953 PVJOASFPVYMXDJ-UHFFFAOYSA-N 306.695 1.420 70 50 DDIA COc1ccccc1N1CC[C@@H](NC(=O)Cn2cccn2)C1 161179603 GEUFWTZHPYOHAF-CYBMUJFWSA-N 300.362 1.287 70 50 DDIA O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1 160991737 SMRHXUYUKYXGMU-XBFCOCLRSA-N 312.377 1.522 70 50 DDIA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(C(F)(F)F)cc1 217903117 NWVZSZDLJDXBDF-XXILOJSOSA-N 302.296 1.605 70 50 DDIA C[C@H](Cn1cncn1)NC(=O)C1CCN(Cc2ccco2)CC1 218338103 KUDVMJFETIUXBL-CYBMUJFWSA-N 317.393 1.288 70 50 DDIA O=C1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCN1 160472923 MTTRIITWAFSASD-CQSZACIVSA-N 321.808 1.657 70 50 DDIA C#CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)C 1875385604 XIHFISKRMRWAPK-UHFFFAOYSA-N 300.311 1.159 70 50 DDIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(=O)c2cccc(F)c2[nH]1 218584193 FXODBDIEABRFKI-YKHWKNEFSA-N 302.305 1.574 70 50 DDIA Cc1nnc(CN(C)C(=O)c2ccc(SCCO)cc2)o1 217447523 RIQLKBJOGLMJMF-UHFFFAOYSA-N 307.375 1.735 70 50 DDIA COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1Cl 218128198 LKYOKAQTRIFNSC-CDMKHQONSA-N 317.794 1.804 70 50 DDIA COc1cccc(OC)c1OC1CCN(S(=O)(=O)F)CC1 1875375088 QNRDTRZHXXZNSI-UHFFFAOYSA-N 319.354 1.761 70 50 DDIA COC(=O)C[C@@H](CC(C)C)c1c(O)c(C(=O)OC)c[nH]c1=O 218065525 HXTROIBRCKIMJQ-SECBINFHSA-N 311.334 1.560 70 50 DDIA biogenic CC[C@@H](Cn1ccnc1)NC(=O)CCc1c(C)nc(O)nc1C 218040505 MBVPUROONOTBQA-ZDUSSCGKSA-N 317.393 1.523 70 50 DDIA O=C1NC2(CCCCCCC2)C(=O)N1CCS(=O)(=O)F 888093134 OVJKBIIAKMFKNQ-UHFFFAOYSA-N 306.359 1.321 70 50 DDIA Cn1cnnc1SCCNC(=O)[C@@H]1CCc2ccccc2O1 217017382 SPTBOTNLQIWFTM-ZDUSSCGKSA-N 318.402 1.417 70 50 DDIA COc1ccc(CNC(=O)[C@@H]2CC(=O)OC2(C)C)cc1OC 218011982 QCXGINBLJZZLJY-NSHDSACASA-N 307.346 1.662 70 50 DDIA biogenic CCCc1ncncc1C(=O)N1CCCn2nc(CO)cc2C1 217035518 MSZRLHGMLSVATI-UHFFFAOYSA-N 315.377 1.164 70 50 DDIA CN(Cc1cnccn1)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 217059051 AQGJPGQPYLSHAF-UHFFFAOYSA-N 312.304 1.729 70 50 DDIA CCCC(C)(C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385201 OGUNEHDCOFIBJE-UHFFFAOYSA-N 304.343 1.983 70 50 DDIA COc1cc(C(=O)N[C@@H]2COCC[C@H]2O)c2ccccc2n1 218016267 JCHFKDIVNYSWJZ-ZIAGYGMSSA-N 302.330 1.123 70 50 DDIA CN(CCn1cccn1)Cc1ccc(OS(=O)(=O)F)cc1 1875387373 DYZMRQZXHQBSJU-UHFFFAOYSA-N 313.354 1.608 70 50 DDIA CCOC(=O)[C@]1(CCS(=O)(=O)F)Cc2ncccc2C1=O 888096177 WTDFUUHBYZNZQC-CYBMUJFWSA-N 315.322 1.059 70 50 DDIA COc1cc(CCC(=O)N[C@H](CO)Cc2ccccc2)on1 217595213 OZXIHGGWKXYBFT-ZDUSSCGKSA-N 304.346 1.336 70 50 DDIA biogenic Cc1coc(CN(CCS(=O)(=O)F)Cc2nonc2C)c1 1875382509 DRWJEEPQEGUCFE-UHFFFAOYSA-N 317.342 1.581 70 50 DDIA CCOC(=O)c1cc2c(=O)n(C(=O)OC(C)(C)C)c(C)cn2n1 216707531 ZLGULZGNAYRZEN-UHFFFAOYSA-N 321.333 1.764 70 50 DDIA CN(Cc1cnccn1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 217922322 YHJXYSIRPJLHHS-UHFFFAOYSA-N 309.329 1.228 70 50 DDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1c[nH]c2ccccc12 218640064 AEECHJVKFWPHKC-JFTQMJAMSA-N 314.385 1.877 70 50 DDIA Cc1nnc(CN2CCO[C@H](c3nccs3)C2)n1C1CC1 161448220 XIXFEBQYDWVAJG-LBPRGKRZSA-N 305.407 1.951 70 50 DDIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CCCC1 218230345 NZAKHUZQHXBJLR-UHFFFAOYSA-N 321.402 1.635 70 50 DDIA CCOC(=O)CCc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1 218520814 XMECQEBBXSZRDB-UHFFFAOYSA-N 316.357 1.867 70 50 DDIA CC(C)(C)c1nsc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 159776738 PIQQFQHHELFXRR-XLKFXECMSA-N 323.422 1.626 70 50 DDIA COC(=O)CCNC(=O)c1cc2c(OC)ccc(OC)c2n1C 218306765 DOXZSXFDWVWOLP-UHFFFAOYSA-N 320.345 1.488 70 50 DDIA O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)Cl)C1 59803839 KGTKAEIBOSEJKH-LLVKDONJSA-N 303.767 1.966 70 50 DDIA in-vitro Cc1ccccc1O[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)C(C)C 217139315 TZTSPPQATGAOFH-CYBMUJFWSA-N 304.350 1.126 70 50 DDIA COc1ccc(CCCNC(=O)C[C@H]2CN(C)CCN2C)cc1 217929704 YYYSYLMBBGGQDR-INIZCTEOSA-N 319.449 1.380 70 50 DDIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccn2)[nH]n1 218126388 MSTBBOMLIUXTNH-AWEZNQCLSA-N 322.368 1.805 70 50 DDIA NC[C@@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 160314743 DDXNQADBFDFRPG-HNNXBMFYSA-N 301.390 1.372 70 50 DDIA COc1coc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1=O 218558046 HNRPWGFGJPJRIF-MRVPVSSYSA-N 323.330 1.604 70 50 DDIA CC(C)Cc1cc(C(=O)N(C)[C@H](C)c2ccncn2)nc(N)n1 217703951 XVZHPGVKWKGRQX-LLVKDONJSA-N 314.393 1.881 70 50 DDIA Cc1nonc1CC(=O)N[C@H](C)c1nc(-c2ccccn2)no1 217691867 MDJAKCRXGVDPSH-SECBINFHSA-N 314.305 1.243 70 50 DDIA O=C(NCCc1csc(-c2cnccn2)n1)c1cnc[nH]1 218249515 DJIFDSCFLNLXPB-UHFFFAOYSA-N 300.347 1.296 70 50 DDIA CNc1ncccc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 218434233 JMWIQFMFYYUNBN-OVGLSYRBSA-N 315.377 1.099 70 50 DDIA CN1CCN(c2ccc(C(=O)NC[C@@H]3CCOC3)cc2)CC1 218072037 RDBOGHLPVUTOKX-AWEZNQCLSA-N 303.406 1.205 70 50 DDIA CCn1c(O)nnc1SCc1cccc(S(=O)(=O)F)c1 1875380883 CZYJGLVJYPEHED-UHFFFAOYSA-N 317.367 1.954 70 50 DDIA Cc1noc2ncnc(N3CCCn4nc([C@@H](C)O)cc4C3)c12 217172904 GZQAGDHNUVIHPC-SNVBAGLBSA-N 314.349 1.586 70 50 DDIA COCCN(CCS(=O)(=O)F)Cc1cccc2cc[nH]c12 1875382708 MTZNUMZOQYKUPL-UHFFFAOYSA-N 314.382 1.916 70 50 DDIA O=C(Cc1ccc(F)c(Cl)c1F)N[C@@H]1CCOC[C@H]1O 218256254 UCOARZGCLACFQC-NXEZZACHSA-N 305.708 1.427 70 50 DDIA CCOC(=O)C[C@@](C)(O)c1cccc(OS(=O)(=O)F)c1 1875374433 QGNMLJTWGKSIST-GFCCVEGCSA-N 306.311 1.440 70 50 DDIA CCN(C(=O)c1cc2cc(OC)ccc2[nH]1)[C@H]1COC[C@@H]1O 218542475 BBLXYRVPHIYOHZ-GJZGRUSLSA-N 304.346 1.398 70 50 DDIA C/C=C(\C)CN1CCN(c2ncnc3[nH]ccc23)C[C@@H](O)C1 217122952 MHAZMHCRNOJTOF-QQFGACLNSA-N 301.394 1.407 70 50 DDIA O=S(=O)(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)C1CC1 218440133 AAAZNWIJBAVRHT-ZIAGYGMSSA-N 315.366 1.444 70 50 DDIA Cc1c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cnn1C 216949545 HKQFUJYBYYGFGU-WBVHZDCISA-N 316.449 1.951 70 50 DDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1ccc(F)nc1 1875336615 CZTPPMFVRIPEAT-UHFFFAOYSA-N 315.257 1.461 70 50 DDIA COc1ccnc(N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)n1 218024653 DDZHLXDZOVTMTQ-KGLIPLIRSA-N 316.361 1.837 70 50 DDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)c2scc3c2OCCO3)n1 216910212 QWJUGZDPOIBQOP-VIFPVBQESA-N 320.374 1.923 70 50 DDIA NC(=O)c1ccc(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc1 218215953 FSOYWOLNMMOQDU-QEJZJMRPSA-N 312.373 1.370 70 50 DDIA C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@]1(C)CO 1875387721 UQYQFQDOAXNKEK-RISCZKNCSA-N 317.382 1.730 70 50 DDIA CN(Cc1cc2c(cc1OC(F)F)OCO2)S(=O)(=O)F 1875375309 YOVMUUGTNLBKSO-UHFFFAOYSA-N 313.253 1.663 70 50 DDIA C[C@H]1CN(C2CCN(C(=O)Cc3cnccn3)CC2)C[C@@H](C)O1 217091912 QORLYSOUTHPYID-OKILXGFUSA-N 318.421 1.119 70 50 DDIA Cn1ncc(CN(CCS(=O)(=O)F)C[C@H]2CC=CCC2)n1 1875382899 WPBHCNGWSUVGLY-LBPRGKRZSA-N 316.402 1.273 70 50 DDIA CC(C)[C@@H](CO)NC(=O)COc1ccc2c(c1)NC(=O)CC2 218333827 DCVWNAGHCPSSJA-CQSZACIVSA-N 306.362 1.083 70 50 DDIA COc1cn(CC(=O)Nc2c(C)nn(C)c2C)c(C)cc1=O 218164492 DGTMTSRIIKSWMH-UHFFFAOYSA-N 304.350 1.154 70 50 DDIA Cc1conc1CC(=O)Nc1cncc(OS(=O)(=O)F)c1 1875387735 VEHDVKNENQGAPO-UHFFFAOYSA-N 315.282 1.152 70 50 DDIA Cn1ccnc1[C@H](NC(=O)CN1CCOC1=O)c1ccccc1 217027796 LZVSGPALFXQSFO-CQSZACIVSA-N 314.345 1.078 70 50 DDIA CC[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)c1nc(C)no1 218054190 LLCMHIGJAFUNAY-CQSZACIVSA-N 318.377 1.688 70 50 DDIA COc1ccc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc1N 161331645 DDCXUNICJXWXNT-HNNXBMFYSA-N 305.378 1.863 70 50 DDIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCCn1cccn1 218564422 SHIUWWBGUMJEES-UHFFFAOYSA-N 314.389 1.502 70 50 DDIA O=C(NC1CCOCC1)c1ccc(OS(=O)(=O)F)cc1 1875374241 GTGFFWUBSFDVHI-UHFFFAOYSA-N 303.311 1.189 70 50 DDIA O=C(COC[C@@H]1CCCO1)NCc1nc(-c2ccccc2)n[nH]1 217609451 JIYULNVKWCCXJM-ZDUSSCGKSA-N 316.361 1.284 70 50 DDIA CC(C)c1cnc(CN(C)[C@H]2CCN(S(=O)(=O)F)C2)o1 1875368262 DMRUWLLWWHZBOY-JTQLQIEISA-N 305.375 1.518 70 50 DDIA CCCn1cc(CNC(=O)c2nc(=O)[nH]c3ccccc23)cn1 218315369 BKRHYDRYCAGERH-UHFFFAOYSA-N 311.345 1.460 70 50 DDIA OCc1cc2n(n1)CCN(C1CCN(Cc3ccco3)CC1)C2 217181171 FNTQOOUSCOMTRJ-UHFFFAOYSA-N 316.405 1.449 70 50 DDIA Cc1n[nH]c([C@H]2CCCN(C(=O)Cn3cnc(C)c3C)C2)n1 218621560 OBWOYQMPMJYPCO-ZDUSSCGKSA-N 302.382 1.333 70 50 DDIA Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)c(C)o1 217933975 RHWSGZHNGAVCLZ-UHFFFAOYSA-N 306.362 1.360 70 50 DDIA Nc1nnc(SCC(=O)N[C@H]2CCc3ccccc3C2)s1 218027514 HLLNBBWWSGOPMQ-NSHDSACASA-N 320.443 1.886 70 50 DDIA CCOc1ncccc1C(=O)NCCc1nc(C2CC2)no1 218317661 XZOKVIGTFZSNOK-UHFFFAOYSA-N 302.334 1.713 70 50 DDIA CCc1ncnc(N2CCCN(Cc3cnn(C)c3)CC2)c1F 159463661 MNOHJQKLRFLVAF-UHFFFAOYSA-N 318.400 1.624 70 50 DDIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cnco1 218594872 WCPPNFDICUBXLF-MNOVXSKESA-N 309.347 1.235 70 50 DDIA CC(C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 159398271 RZRDRVMYQUDQDK-YPMHNXCESA-N 309.797 1.545 70 50 DDIA Cc1nn2cc(CNC(=O)CCc3cccnc3)nc2s1 218067510 NTUIZXSMSSGEMG-UHFFFAOYSA-N 301.375 1.743 70 50 DDIA COCCOCCOC(=O)c1ccccc1S(=O)(=O)Cl 101252495 TVQUWKKLSJIKOI-UHFFFAOYSA-N 322.766 1.434 70 50 DDIA O=C(CCCn1cncn1)N1CCC[C@@H](c2ccncn2)C1 217684642 SAQZBSJQNTWGNK-CYBMUJFWSA-N 300.366 1.255 70 50 DDIA O=C(NCCNC1CCCCCC1)c1cn2cccnc2n1 159691035 VZVTYZKAMKOYMY-UHFFFAOYSA-N 301.394 1.772 70 50 DDIA Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)OC1(C)C 218306396 RGSUEDWEMLYNIO-GFCCVEGCSA-N 315.373 1.803 70 50 DDIA COc1ccccc1N1CC[C@H](NC(=O)Cn2cccn2)C1 161179480 GEUFWTZHPYOHAF-ZDUSSCGKSA-N 300.362 1.287 70 50 DDIA O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)F)C1 1875374635 BJOMWOHMLJDKAV-JTQLQIEISA-N 311.338 1.248 70 50 DDIA Cc1ccc(C(=O)NCCC(=O)N(C)Cc2nnc(C)o2)cc1 218114853 ZOIMAKKGYKVYSN-UHFFFAOYSA-N 316.361 1.465 70 50 DDIA CCCCSc1nc(N)cc(N2CCN(C)[C@@H](CO)C2)n1 217068517 KHIOXIXSSNXDKH-LLVKDONJSA-N 311.455 1.064 70 50 DDIA C[C@H](Cn1cccn1)NC(=O)Cc1ccc(S(C)(=O)=O)cc1 218608736 FLFUJPMRIRQFTM-GFCCVEGCSA-N 321.402 1.034 70 50 DDIA COc1cccc(C(=O)N2CCCn3nc(CO)cc3C2)c1F 217337159 GCGKFZYLLBIDLV-UHFFFAOYSA-N 319.336 1.569 70 50 DDIA N[C@@H]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 160270231 NJHOZGSUPLDBKQ-CYBMUJFWSA-N 318.352 1.758 70 50 DDIA O=C(NC[C@H]1CCCCO1)c1cc(=O)n(-c2ccccc2)[nH]1 217822940 FLUGEPVZXKQBDF-CYBMUJFWSA-N 301.346 1.465 70 50 DDIA CN1C[C@]2(CCCN(C(=O)CCc3cccnc3)C2)OC1=O 217639561 YCVVAYKLESLVLS-INIZCTEOSA-N 303.362 1.457 70 50 DDIA Cc1c[nH]nc1C1CCN(C(=O)CCCn2cncn2)CC1 217614014 PJVNVMLYCOZLPU-UHFFFAOYSA-N 302.382 1.496 70 50 DDIA Cc1cccc(=O)n1CCCNC(=O)CCc1cc(Cl)no1 218441551 FUKOWXPSMBTVQT-UHFFFAOYSA-N 323.780 1.937 70 50 DDIA CSc1ncc(C(=O)N(C)Cc2nc(C3CC3)no2)cn1 218135863 JNIGMEBRAZGKKB-UHFFFAOYSA-N 305.363 1.731 70 50 DDIA Cc1cc(C(F)(F)F)nc(N2CC[C@@H](S(=O)(=O)F)C2)n1 1875368364 LRKJTTXUTHQOBI-SSDOTTSWSA-N 313.276 1.682 70 50 DDIA O[C@@H]1CN(Cc2cc(C3CC3)n[nH]2)CCN(c2ccncc2)C1 216989198 WPEDXPHVQZHIRY-MRXNPFEDSA-N 313.405 1.365 70 50 DDIA COCc1cc(CN(C)C[C@@H](C)N2CCOCC2)ccc1OC 218459346 URBBMXIKOQNZPC-OAHLLOKOSA-N 322.449 1.994 70 50 DDIA O=C(c1cccc(=O)[nH]1)N1CCCN(C2CCCCC2)CC1 217741435 GSYBBDAJCGHCEX-UHFFFAOYSA-N 303.406 1.856 70 50 DDIA Cc1nc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc(F)cc23)n[nH]1 217480234 VFFJHPLMYRWBBS-SSDOTTSWSA-N 315.308 1.585 70 50 DDIA Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(O)c(Cl)c2)n1 216970900 METXLFSXHIONHP-UHFFFAOYSA-N 307.737 1.410 70 50 DDIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(F)c(F)c1)CC2 217463564 BTRVASATBREUIY-UHFFFAOYSA-N 319.311 1.598 70 50 DDIA O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CSCN1 159679461 GSDSZJBDPUPQBZ-WDEREUQCSA-N 321.229 1.806 70 50 DDIA CC[C@H](C)CS(=O)(=O)NC(=O)[C@@H]1OCCc2ccccc21 160856436 OOBNLDLNPLKIQZ-SMDDNHRTSA-N 311.403 1.793 70 50 DDIA NC(=O)c1ccc(NCc2ccccc2OS(=O)(=O)F)cc1 1875389995 DWTUSOAGPPQIPU-UHFFFAOYSA-N 324.333 1.991 70 50 DDIA O=C1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CCN1 160472799 MTTRIITWAFSASD-AWEZNQCLSA-N 321.808 1.657 70 50 DDIA CNC(=O)c1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1Cl 218462993 VSYHPDHTHIYQOI-UHFFFAOYSA-N 307.737 1.384 70 50 DDIA Cc1noc2ncnc(N3CCCn4nc([C@H](C)O)cc4C3)c12 217172913 GZQAGDHNUVIHPC-JTQLQIEISA-N 314.349 1.586 70 50 DDIA O=C(c1ccc(Cl)cc1O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 218527627 DDZOKRHLXWTJBZ-ZFWWWQNUSA-N 324.808 1.717 70 50 DDIA O=C(NO[C@@H]1CCCN(CC(F)(F)F)C1=O)C1CCCC1 160846684 KOOZIYUIWISGJM-SNVBAGLBSA-N 308.300 1.778 70 50 DDIA O=C1NCCCC[C@@H]1Oc1ccc(OS(=O)(=O)F)cc1 1875374441 QQUSKOUAUCDOBB-NSHDSACASA-N 303.311 1.327 70 50 DDIA Cc1cc(C(F)(F)F)nc(N2CC[C@H](S(=O)(=O)F)C2)n1 1875368365 LRKJTTXUTHQOBI-ZETCQYMHSA-N 313.276 1.682 70 50 DDIA COc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)c(OC)c1OC 217784673 QAUVFXIBHNSQGC-JYAVWHMHSA-N 307.390 1.915 70 50 DDIA CN1C[C@]2(CCN(C(=O)CN3Cc4ccccc4C3)C2)OC1=O 217591648 ZJKUQRVNCNWKJY-KRWDZBQOSA-N 315.373 1.055 70 50 DDIA CC(C)NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 218175126 CENMBOCJIFBCPD-UHFFFAOYSA-N 309.391 1.537 70 50 DDIA CNC[C@@H]1CCCN1C(=O)C1=Cc2ccc(OC)cc2OC1 161339610 XGHGIKKTRFNKPV-AWEZNQCLSA-N 302.374 1.681 70 50 DDIA O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)F)CC1 1776003987 IIVKKNFQXJNFTL-UHFFFAOYSA-N 321.761 1.704 70 50 DDIA O=C(c1ccccc1N1CCOCC1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217072018 ZNKDPASWEZKFNQ-HALDLXJZSA-N 316.401 1.366 70 50 DDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccccc1 217623596 UGZVLXCRILUYKJ-NSHDSACASA-N 313.309 1.993 70 50 DDIA biogenic Cc1cc(N)n(CC(=O)NCC2(O)C3CC4CC(C3)CC2C4)n1 218387266 FKXIAWVNDDRHQU-UHFFFAOYSA-N 318.421 1.077 70 50 DDIA Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CN(C)CCO2)n1 161334362 CGOXNUCVPHQCKI-HNNXBMFYSA-N 300.362 1.450 70 50 DDIA COCC[C@H](C)N(CCS(=O)(=O)F)Cc1cnsc1 1875382537 FSCVCOSWGWQYOV-JTQLQIEISA-N 310.416 1.669 70 50 DDIA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCN 160143798 KGDPVIJKYSSOEN-QMMMGPOBSA-N 318.204 1.577 70 50 DDIA Cc1cccc2c(=O)c(C(=O)NCC[C@@H]3CCOC3)c[nH]c12 218494663 ZCCOUUAUSZYSIE-GFCCVEGCSA-N 300.358 1.993 70 50 DDIA CC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)C 1875385326 QXELNOCLHHBACM-UHFFFAOYSA-N 304.343 1.934 70 50 DDIA CCNC(=O)[C@@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 218174209 WMKZHQPLFQMKJZ-SNVBAGLBSA-N 312.316 1.886 70 50 DDIA Cc1cnccc1CNC(=O)[C@@H](O)COc1ccccc1C 218516142 CAAHBRPWLSLNMM-HNNXBMFYSA-N 300.358 1.755 70 50 DDIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1ncc3ccccc31)C2 217705779 RJIHIUMLXQIDDM-KGLIPLIRSA-N 312.373 1.116 70 50 DDIA NS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(C3CC3)CC2)cc1 159825289 GRECYZKNPGBKSF-FPYGCLRLSA-N 320.414 1.654 70 50 DDIA CN(C)c1ccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)cc1 217519936 RGGHMQYCPYWPKI-HWWDLCQESA-N 302.418 1.915 70 50 DDIA NC[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 160334239 JYCHBMCTKQNYCB-HNNXBMFYSA-N 301.390 1.306 70 50 DDIA Nc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(O)c1 101017471 RGHWNQBLENHHHG-UHFFFAOYSA-N 310.306 1.885 70 50 DDIA C[C@@H](O)c1cc2n(n1)CCN(c1cccc(C(=O)N(C)C)n1)C2 217555810 CXHNYNSBPKOCIN-LLVKDONJSA-N 315.377 1.053 70 50 DDIA C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@]1(C)CO 1875387719 UQYQFQDOAXNKEK-BXUZGUMPSA-N 317.382 1.730 70 50 DDIA Cc1cc(CN(CCS(=O)(=O)F)c2ccn(C)n2)c(C)o1 1875382510 DRZSDMNMWPFGIN-UHFFFAOYSA-N 315.370 1.936 70 50 DDIA O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cnsn1 159674822 WDFDAMCUJHWTAT-UHFFFAOYSA-N 323.399 1.536 70 50 DDIA CC1(C)C=CCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383870 BNYGQEOSOUGTKZ-UHFFFAOYSA-N 300.311 1.465 70 50 DDIA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccccn2)[nH]n1 218149288 VBZJBAWZXKHRQS-JTQLQIEISA-N 306.391 1.316 70 50 DDIA Cc1cc(N)n(CC(=O)N[C@@H](C)c2nc3c(s2)CCCC3)n1 218681868 UQOBQWLXWGKKRF-JTQLQIEISA-N 319.434 1.986 70 50 DDIA CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(C)Cc1ncc[nH]1 217194890 WXXNVMLSEKCBBX-KGLIPLIRSA-N 318.421 1.867 70 50 DDIA Cc1cc(C(=O)N2CCC[C@@]3(CCCN(C)C3)C2)cc(=O)[nH]1 217543762 ZLVXMSPYPLITLU-QGZVFWFLSA-N 303.406 1.631 70 50 DDIA CC(C)n1cc(CNC(=O)CSc2nnc(N)s2)cn1 217169543 NXGXLMMUGXXVIL-UHFFFAOYSA-N 312.424 1.306 70 50 DDIA Cc1cc(C(=O)N(C)C[C@H]2CCN(CC(C)C)C2)cc(=O)[nH]1 217774023 ZMOLUEZOYOHXJF-CQSZACIVSA-N 305.422 1.733 70 50 DDIA CSc1ncccc1C(=O)N1CCC[C@@]2(CN(C)C(=O)O2)C1 216954952 BPRNHYNICMEAIB-OAHLLOKOSA-N 321.402 1.860 70 50 DDIA O=C(c1cn2ccccc2n1)N1CCCn2nc(CO)cc2C1 216920683 IHIGTWPCVKLLLF-UHFFFAOYSA-N 311.345 1.069 70 50 DDIA CC(F)(F)C1(NC(=O)c2cncc(OS(=O)(=O)F)c2)CC1 1875385260 PLKCXEYPCKXSNN-UHFFFAOYSA-N 324.280 1.592 70 50 DDIA CC(=O)NC1CCC(Nc2ccc(-n3cnnn3)c(C)c2)CC1 161140824 MYLNOOYVNMNSBC-UHFFFAOYSA-N 314.393 1.830 70 50 DDIA Cn1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)ccc1=O 218332313 VMBPKVUNVYTBOT-SVGFKBNWSA-N 316.401 1.709 70 50 DDIA CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C1CC(O)C1 218329041 LDPFHDMQPNGQEN-SFVIPPHHSA-N 323.336 1.932 70 50 DDIA O=C(COCc1ccccc1)N1CCCn2nc(CO)cc2C1 217145441 WZIMIMZZNVWTEC-UHFFFAOYSA-N 315.373 1.325 70 50 DDIA C[C@H](NC(=O)c1n[nH]c(N)c1Cl)c1cn2ccsc2n1 218739902 WMPCOMWAMVGLEW-YFKPBYRVSA-N 310.770 1.846 70 50 DDIA O=C(Cc1cccc(Cl)c1)NC[C@@H](O)CN1CCCCC1 160364934 UVJVIXJLCWNGDN-OAHLLOKOSA-N 310.825 1.846 70 50 DDIA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@@H](C)CO)[nH]n1 218377949 YFTXBGCYFPPSFK-VIFPVBQESA-N 305.382 1.582 70 50 DDIA CC(C)C[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)CCO1 218381932 IWSPPGMICNSVIZ-MRXNPFEDSA-N 305.422 1.787 70 50 DDIA O=C(c1ccc(OCC(F)F)nc1)N1CCOC[C@H]1C1CC1 161245519 VYXSSPHOCHHSDW-LBPRGKRZSA-N 312.316 1.977 70 50 DDIA CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCCNC1=O 218254434 HTLFOUXXJISYJU-CYBMUJFWSA-N 314.389 1.384 70 50 DDIA COc1ccc(OC)c2c1cc(C(=O)N1CCOCC1)n2C 218400944 VZONLSMDIBKNCY-UHFFFAOYSA-N 304.346 1.668 70 50 DDIA CN1CC[C@H](N(C)CCC(=O)NCCCc2ccncc2)C1 218273318 BQVZQWYVPMFAPE-INIZCTEOSA-N 304.438 1.156 70 50 DDIA CNc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)ccn1 218170094 KTOFCDHIVZBEOH-WHOFXGATSA-N 315.377 1.099 70 50 DDIA O=C(N[C@@H]1COCC[C@@H]1OCCO)c1cc(F)c(F)c(F)c1 218312783 MWAYVYDGNKSDGA-NEPJUHHUSA-N 319.279 1.000 70 50 DDIA O=C(Cn1ccc2ccccc21)N1CCCn2nc(CO)cc2C1 217745747 WZIVOVKOTORTOG-UHFFFAOYSA-N 324.384 1.763 70 50 DDIA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@](O)(CO)C1 218186230 DJFAMDAQJREROZ-AWEZNQCLSA-N 317.307 1.594 70 50 DDIA C[C@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@H]1C 160290581 YXHLTBQWWUKOEP-QWHCGFSZSA-N 304.394 1.499 70 50 DDIA O=S(=O)(F)Oc1ccc(CN2CCn3cncc3C2)cc1 1875387545 MTNDUYHVPSMMSN-UHFFFAOYSA-N 311.338 1.492 70 50 DDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1C[C@H]2C[C@H]2C1 1875382799 SACSBLHLKDVSFG-DTORHVGOSA-N 300.311 1.763 70 50 DDIA Cn1cc([C@H](NC(=O)Cc2ccc(O)cc2)C2CC(O)C2)cn1 218326077 SKXQVRODSKKLBC-MWHAMWOXSA-N 315.373 1.297 70 50 DDIA O=C(NS(=O)(=O)CC(F)(F)F)[C@H]1OCCc2ccccc21 161009524 IXILACNZSOPWEA-JTQLQIEISA-N 323.292 1.309 70 50 DDIA O=C(N1CCc2ccc(S(=O)(=O)F)cc2C1)C(F)(F)F 144617924 UCSBUQLOHLFVKA-UHFFFAOYSA-N 311.256 1.792 70 50 DDIA O=c1cc([C@H]2C[C@H](Nc3ncnc4[nH]cnc34)C2)nc(C2CC2)[nH]1 218309153 FQHVZJYECYAQIT-AOOOYVTPSA-N 323.360 1.672 70 50 DDIA CC[C@H](C)CS(=O)(=O)NC(=O)[C@H]1OCCc2ccccc21 160856161 OOBNLDLNPLKIQZ-FZMZJTMJSA-N 311.403 1.793 70 50 DDIA Nc1nc(CCCNC(=O)c2nnc3n2CCCCC3)cs1 217918735 QGBWTULHVVXJEL-UHFFFAOYSA-N 320.422 1.406 70 50 DDIA CCOCCOc1ccccc1C(=O)NC[C@@H]1COCCO1 217066314 OHSRRTLTJHAVBL-CYBMUJFWSA-N 309.362 1.247 70 50 DDIA COc1ccc([C@H](O)C(=O)NCCc2scnc2C)cc1 217596267 XQFFNRIJUSOFIL-AWEZNQCLSA-N 306.387 1.852 70 50 DDIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2cccnc2)[nH]n1 218316013 OCELSOMPDIKCJM-HNNXBMFYSA-N 322.368 1.805 70 50 DDIA Cc1nnc(CCNC(=O)CN(C)Cc2ccccn2)s1 217185450 UOERBWSAUOGVQV-UHFFFAOYSA-N 305.407 1.032 70 50 DDIA CC1=C(C(=O)N[C@@H](c2nccn2C)C(C)C)SC2=NCCN21 218629701 LRLRHZSWEGYQRH-LLVKDONJSA-N 319.434 1.883 70 50 DDIA CCOC(=O)c1nc(CNC(=O)OCc2ccccc2)n[nH]1 216636666 UGNOVBQNSNPTOX-UHFFFAOYSA-N 304.306 1.408 70 50 DDIA CC(=O)c1cc(CN2CCC[C@]3(CC2)CNC(=O)O3)n(C)c1 217518791 OXAZDENLMFTMCL-INIZCTEOSA-N 305.378 1.692 70 50 DDIA CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 161356344 VOLJGRAYSDTAFW-RYUDHWBXSA-N 306.362 1.342 70 50 DDIA COCc1ccccc1NC(=O)NCC1(CO)CCOCC1 160629299 PUSHMWMVRMCHQY-UHFFFAOYSA-N 308.378 1.744 70 50 DDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(C)oc1C)C2 216751884 BOFDWSCNMPKHIZ-KGLIPLIRSA-N 320.389 1.606 70 50 DDIA Cc1cc2c(cc1C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)OCCO2 218675517 YTDDBOXFPJKGQM-GXTWGEPZSA-N 302.374 1.542 70 50 DDIA O=C(O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Cl)c1 100038981 AFRAGFLBINOHDV-UHFFFAOYSA-N 300.075 1.874 70 50 DDIA CCC[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1nccn1C 218315460 NBLSHYOHETVICN-CYBMUJFWSA-N 317.393 1.320 70 50 DDIA CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CNCCO2)C12CCCC2 160620247 REVGYRASURNYMK-QLFBSQMISA-N 310.438 1.561 70 50 DDIA CC[C@H](C)N(CCS(=O)(=O)F)Cc1nnn(C(C)(C)C)n1 1875382756 PEHNGNMRJAWHMW-JTQLQIEISA-N 321.422 1.328 70 50 DDIA CSc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)n1C 218611061 CPWICPWOXDXGQE-UHFFFAOYSA-N 302.363 1.343 70 50 DDIA CN(CCN1CCCCC1=O)C(=O)[C@H](O)c1cccc(Cl)c1 218771652 RTTCWAYBJAVOQM-OAHLLOKOSA-N 324.808 1.844 70 50 DDIA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccsc2)[nH]n1 218366648 JMVFPNSFVJQXSP-JTQLQIEISA-N 311.432 1.982 70 50 DDIA Nc1nnc(SCC(=O)N2CCOC3(CCCC3)C2)s1 218422873 NQHOILATMDAAST-UHFFFAOYSA-N 314.436 1.384 70 50 DDIA COc1ccc(I)c(S(=O)(=O)F)c1 1772717365 VZDBLTITMYGQRM-UHFFFAOYSA-N 316.091 1.958 70 50 DDIA Cc1cc(C[C@H](C)NC(=O)c2cnc3ccccn3c2=O)n[nH]1 161377225 DFFQHYXPEAXMGP-JTQLQIEISA-N 311.345 1.087 70 50 DDIA Cc1nc([C@@H](NC(=O)[C@H]2CCCNC2)c2ccccc2F)no1 160139585 LAZQDMNHTDNFIJ-FZMZJTMJSA-N 318.352 1.722 70 50 DDIA O=C(CCCc1cccs1)N1CCn2nc(CO)cc2C1 217792238 AZFMYHPLQWZXEF-UHFFFAOYSA-N 305.403 1.802 70 50 DDIA C[C@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H]1C 1875384329 FFWIEOZEJBTKLC-VHSXEESVSA-N 316.354 1.935 70 50 DDIA CC(C)[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 159398571 RZRDRVMYQUDQDK-AAEUAGOBSA-N 309.797 1.545 70 50 DDIA CN(CC(=O)N(C)Cc1cc(C2CC2)[nH]n1)Cc1cccnc1 218406393 SJZCCCIFJRFJCQ-UHFFFAOYSA-N 313.405 1.773 70 50 DDIA CC(=O)N1CC(Nc2cccc(NC(=O)C(C)C)c2)=CC1=O 218448319 CXBRFRUJUNJPJO-UHFFFAOYSA-N 301.346 1.966 70 50 DDIA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1n[nH]c(N)c1Cl 218613151 SWIDXLIIOBFERF-UHFFFAOYSA-N 310.789 1.690 70 50 DDIA COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1F 217051346 IYJFLZBEXZRASY-XWIASGKRSA-N 301.339 1.290 70 50 DDIA COc1ccc(C(=O)CCC(=O)N[C@@H]2COCC[C@H]2OC)cc1 218457352 XTJAGTBIDCNWQP-GDBMZVCRSA-N 321.373 1.578 70 50 DDIA COC(=O)[C@H](C)NC(=O)c1cc2c(OC)ccc(OC)c2n1C 217726588 QIIQYVCPOWEUMF-VIFPVBQESA-N 320.345 1.487 70 50 DDIA biogenic O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cc(CO)ccn1 217988224 DTDAQBVBUIUBPM-ZDUSSCGKSA-N 317.389 1.095 70 50 DDIA CNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161209451 WDSJMNLGFIPSOB-VXGBXAGGSA-N 302.296 1.559 70 50 DDIA COc1ccc(C(=O)N[C@H](CO)C(C)C)cc1-n1cccn1 218165147 GLZVLWJXBPJTQN-CYBMUJFWSA-N 303.362 1.628 70 50 DDIA CC(C)c1cnc(CN(C)[C@@H]2CCN(S(=O)(=O)F)C2)o1 1875368263 DMRUWLLWWHZBOY-SNVBAGLBSA-N 305.375 1.518 70 50 DDIA Cc1ccc(O[C@H]2COCC[C@H]2Nc2ncc(F)cn2)cn1 218093605 TVLXDRNPCOFWKV-KGLIPLIRSA-N 304.325 1.968 70 50 DDIA CSCC[C@@H](CO)NC(=O)COc1ccc2c(c1)OCO2 218164107 XZBQSCMCXVOLAI-JTQLQIEISA-N 313.375 1.024 70 50 DDIA Cn1nccc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 161178192 GXSUIQDSUQPXGJ-MRXNPFEDSA-N 312.329 1.150 70 50 DDIA CN(Cc1cc(C2CC2)[nH]n1)C(=O)COC[C@H]1CCCCO1 218611837 QXUCWRBGGJBIAE-CQSZACIVSA-N 307.394 1.831 70 50 DDIA O=S(=O)(F)N1CCC(Cc2nc(C3CCC3)no2)CC1 1875368532 ZCXMDLLWZSXWLA-UHFFFAOYSA-N 303.359 1.806 70 50 DDIA Cc1conc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 460098151 VKUOBPPAHKSAIX-UHFFFAOYSA-N 320.323 1.442 70 50 DDIA Cc1ccc(CCNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)o1 217192252 KTZRBBDGFCVNDI-UHFFFAOYSA-N 303.362 1.842 70 50 DDIA Cc1nc2cc(CNC(=O)c3cc(CO)ccn3)ccc2n1C 217151202 PDOGINZHSKEMMW-UHFFFAOYSA-N 310.357 1.699 70 50 DDIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cc[nH]n1 218772792 URICNOQILLYQIP-TZMCWYRMSA-N 320.349 1.119 70 50 DDIA CO[C@@H](C(=O)N1CCC2(CCC(=O)N2)CC1)c1ccccc1 217474261 UEQGBPYYKWYWSY-OAHLLOKOSA-N 302.374 1.645 70 50 DDIA CN(C)[C@@H](CNC(=O)CN1CCC[C@](C)(O)C1)c1ccccc1 160196384 WYAKJSZMHOCXLI-WMZOPIPTSA-N 319.449 1.252 70 50 DDIA COc1cc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)ccn1 217199468 ZXWKEIJAOMRYGV-NSHDSACASA-N 316.361 1.386 70 50 DDIA COc1cccc(CCNc2cc(C3CC(N)C3)nc(N)n2)c1 218716818 KGURDTXPEYBEGH-UHFFFAOYSA-N 313.405 1.927 70 50 DDIA Cc1cc(C(=O)N2CCC(c3ccnc(N)n3)CC2)nc(C)n1 217210074 NQRPVDMOXCTHHH-UHFFFAOYSA-N 312.377 1.485 70 50 DDIA Cc1cc(C)n(C[C@@H](C)NC(=O)c2c[nH]c(=O)c(Cl)c2)n1 217819023 MGWHQBOZKSARHS-SECBINFHSA-N 308.769 1.660 70 50 DDIA CC(C)n1ncc2c(C(=O)N3CCOCC3)c3c(nc21)CCC3 218457045 SYEHIDUNBOUHSO-UHFFFAOYSA-N 314.389 1.973 70 50 DDIA Cc1nc(O)nc(C)c1CCC(=O)N(C)CCc1cnn(C)c1 217184448 FFKMPMVWDGDZQM-UHFFFAOYSA-N 317.393 1.166 70 50 DDIA Cc1cc(C(=O)N2CCC(c3noc(C)n3)CC2)nc(C)n1 217015219 LWIXFFVYXBCTTC-UHFFFAOYSA-N 301.350 1.805 70 50 DDIA CC[C@H](NC(=O)CN1CCCN(C)CC1)c1ncccc1C 218769106 FJYMLNIGFTVKTD-HNNXBMFYSA-N 304.438 1.595 70 50 DDIA COc1coc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1=O 218566830 AFVHIXVHZUUIPD-OAHLLOKOSA-N 315.325 1.862 70 50 DDIA COc1ncccc1C(=O)NCCc1noc([C@@H]2CCCO2)n1 217137244 GWRWCPAHMLFQMN-NSHDSACASA-N 318.333 1.297 70 50 DDIA CC(C)[C@@H](C)N(CCS(=O)(=O)F)Cc1ccc(O)nc1 1875382528 FJAORXNNEIXNJJ-LLVKDONJSA-N 304.387 1.933 70 50 DDIA Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1cnccn1 217852820 ZCAFLQXANJZFJV-CQSZACIVSA-N 301.346 1.183 70 50 DDIA CCOC(=O)[C@H]1[C@@H]2C(=O)N(CCCOC(C)C)C[C@@]23C=C[C@H]1O3 217644030 CPXMIERIFISBPP-WBOJAVRRSA-N 323.389 1.147 70 50 DDIA Cn1cnnc1SCCNC(=O)[C@H]1CCc2ccccc2O1 217017424 SPTBOTNLQIWFTM-CYBMUJFWSA-N 318.402 1.417 70 50 DDIA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)c1C 216943756 FNKBREWRRCCBOK-NEPJUHHUSA-N 303.362 1.185 70 50 DDIA C[C@H]1CN(CCC(=O)NCCc2nc(C3CC3)no2)C[C@@H](C)O1 218277533 CVHWOWFKDVDDLE-TXEJJXNPSA-N 322.409 1.105 70 50 DDIA Cc1nc([C@H](C)NC(=O)CCC(=O)N2CCCCCC2)n[nH]1 217178966 OZFZFBIGZPDFGW-NSHDSACASA-N 307.398 1.473 70 50 DDIA O=S(=O)(N[C@@H]1COCC[C@@H]1OCc1ccccc1)C1CC1 218193875 BQKUOBRIBNKJPQ-CABCVRRESA-N 311.403 1.443 70 50 DDIA CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 159527414 FUAWXLYLGWAKAM-RDBSUJKOSA-N 322.405 1.235 70 50 DDIA Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1Cl 217913294 VKASZJNEFRHEGT-VXGBXAGGSA-N 305.783 1.077 70 50 DDIA COc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)c(OC)c1 217487078 AYHMJKYQZKMQNA-OAHLLOKOSA-N 305.422 1.135 70 50 DDIA CC(=O)Oc1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1 217265604 KEGLNCKOACJPCT-UHFFFAOYSA-N 305.334 1.341 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCCCO1 1875384353 FWSCEZGZNVVXBC-UHFFFAOYSA-N 304.299 1.232 70 50 DDIA Cc1ccccc1SCC(=O)NC[C@@H]1COCCN(C)C1 218649804 IBRNWXAXJCGGLP-AWEZNQCLSA-N 308.447 1.782 70 50 DDIA COC(=O)[C@@H](NC(=O)c1cn(C)c(=O)c2ccccc12)C(C)C 217899097 YKJOTPNQKCAITF-AWEZNQCLSA-N 316.357 1.466 70 50 DDIA biogenic COc1cc2c(c(OC)c1OC)CCN(S(=O)(=O)F)CC2 1875368351 KMUHFWJOAXQMQA-UHFFFAOYSA-N 319.354 1.327 70 50 DDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccccn1 1875385273 PTVAIXBOZILEQR-UHFFFAOYSA-N 311.294 1.346 70 50 DDIA COC1(c2nc(C3CC3)no2)CCN(S(=O)(=O)F)CC1 1875368253 CNMIHPZKSCNAFI-UHFFFAOYSA-N 305.331 1.099 70 50 DDIA Cc1nonc1CC(=O)N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 217151426 SFCDWRVZHUAYSW-TXEJJXNPSA-N 322.409 1.021 70 50 DDIA Cc1cccc2c(=O)c(C(=O)NCC[C@H]3CCOC3)c[nH]c12 218494742 ZCCOUUAUSZYSIE-LBPRGKRZSA-N 300.358 1.993 70 50 DDIA COCCN1C[C@@H](Cc2ccc(N3CCNCC3)cc2)CC1=O 218195825 VVWNSJCLYASNSQ-INIZCTEOSA-N 317.433 1.134 70 50 DDIA CCc1csc(CNc2cc(C3CC(N)C3)nc(N)n2)n1 218172977 KWQPSKCZKBEMFA-UHFFFAOYSA-N 304.423 1.895 70 50 DDIA CC(=O)N1CC(Nc2cccc(C(=O)NC(C)C)c2)=CC1=O 218450966 HIPZRLPLNLQFAO-UHFFFAOYSA-N 301.346 1.509 70 50 DDIA Cc1ccn(-c2ccccc2NC(=O)[C@@H](C)S(C)(=O)=O)n1 161126180 IHKIQWODPHDITE-LLVKDONJSA-N 307.375 1.552 70 50 DDIA O=C(Cc1cccnc1)NCc1csc(-c2ncccn2)n1 218174558 LWFQRPKNNTULAB-UHFFFAOYSA-N 311.370 1.854 70 50 DDIA CC(C)(C)n1ccc(C(=O)N2CCn3nc(CO)cc3C2)c1 217736097 SGWIZKISEILTSD-UHFFFAOYSA-N 302.378 1.588 70 50 DDIA COc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3OC)CC2)cc1 218498996 BMTHQVMPWZIBEF-HUUCEWRRSA-N 305.374 1.647 70 50 DDIA CN1CC[C@@H](N(C)CCC(=O)NCCCc2ccncc2)C1 218273286 BQVZQWYVPMFAPE-MRXNPFEDSA-N 304.438 1.156 70 50 DDIA CSc1nc(C(=O)NCCc2csc(N)n2)cs1 218583011 YATGAGBLTLFPEC-UHFFFAOYSA-N 300.434 1.876 70 50 DDIA Cc1cc(C)n(CC(=O)N[C@@H]2CCc3ccccc3C2)c(=O)n1 218693856 KQSKCUQJLHXEQY-MRXNPFEDSA-N 311.385 1.534 70 50 DDIA O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccn(C(F)F)n1 218333805 XQWUHYPYOFFFMM-UHFFFAOYSA-N 319.271 1.445 70 50 DDIA O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)[nH]n1 218279540 JVZYTMZXIGIASV-MRXNPFEDSA-N 308.341 1.935 70 50 DDIA Cc1cc(CN2CCOCC2)cc(C)c1OS(=O)(=O)F 1875374587 XOGQAPXJBJFRIC-UHFFFAOYSA-N 303.355 1.729 70 50 DDIA CC(=O)N1CC(Nc2ccc(-n3cncn3)c(Cl)c2)=CC1=O 218550562 JRHNIHKFHPRTBD-UHFFFAOYSA-N 317.736 1.605 70 50 DDIA CC[C@H](Cn1ccnc1)NC(=O)CCc1c(C)nc(O)nc1C 218040582 MBVPUROONOTBQA-CYBMUJFWSA-N 317.393 1.523 70 50 DDIA O=c1c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c(N2CCSCC2)c1=O 218173854 BPTNVBULLCHTID-SDDRHHMPSA-N 304.415 1.460 70 50 DDIA COc1coc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O 218566798 AFVHIXVHZUUIPD-HNNXBMFYSA-N 315.325 1.862 70 50 DDIA O=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2nnc[nH]2)CC1 216960089 HAYFGCSBMPTZMZ-UHFFFAOYSA-N 310.361 1.244 70 50 DDIA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)F 675063444 UPGYNUQAAFTNSI-UHFFFAOYSA-N 321.395 1.828 70 50 DDIA Cc1cc(N)n(CC(=O)NCc2ccccc2Cn2cccn2)n1 217606593 DURMEYWFSPUFQI-UHFFFAOYSA-N 324.388 1.335 70 50 DDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3c(c2)OCO3)o1 217634057 YQCGDRMPQHSZTB-JTQLQIEISA-N 317.297 1.390 70 50 DDIA biogenic O=C1CN(C(=O)c2ccccc2OCCc2ccccc2)CCN1 217494905 YURXSWNXLTZIOH-UHFFFAOYSA-N 324.380 1.880 70 50 DDIA O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)F)CC1 1875368350 KLYYJRBESBRQLY-UHFFFAOYSA-N 312.322 1.405 70 50 DDIA CC(C)(C)c1nsc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 159776509 PIQQFQHHELFXRR-CLAHSXSESA-N 323.422 1.626 70 50 DDIA CCCCS(=O)(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C 218042029 DWHYVNJGECENAD-KGLIPLIRSA-N 305.440 1.846 70 50 DDIA COc1ccccc1NC(=O)C1CCN(S(=O)(=O)F)CC1 1875373563 GDDLCSIDELSTRL-UHFFFAOYSA-N 316.354 1.560 70 50 DDIA COc1ccccc1-n1cc(CNC(=O)c2cccc(=O)[nH]2)cn1 217165462 KIUGRHLXTMNFSG-UHFFFAOYSA-N 324.340 1.499 70 50 DDIA C[C@@H](Cn1cncn1)NC(=O)CCc1nc(-c2ccco2)no1 218349620 UPBIUWCDZMTBKA-JTQLQIEISA-N 316.321 1.059 70 50 DDIA O=C(NS(=O)(=O)CCCF)[C@@H]1OCCc2ccccc21 161064434 PJEFQMMGVWKMQE-GFCCVEGCSA-N 301.339 1.106 70 50 DDIA CN1C[C@@]2(CCCN(C(=O)CCc3cccnc3)C2)OC1=O 217639479 YCVVAYKLESLVLS-MRXNPFEDSA-N 303.362 1.457 70 50 DDIA COc1ccc(C(=O)N2CCn3nc(CO)cc3C2)c(F)c1F 217464837 IHSCDNXCGUGSRH-UHFFFAOYSA-N 323.299 1.318 70 50 DDIA Cn1nc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1F 1875385076 MDMMQBLCUCWABQ-UHFFFAOYSA-N 317.273 1.405 70 50 DDIA Cc1cc(=O)c2ccccc2n1CC(=O)NCC[C@@H]1CCOC1 218496386 KCBDMANJBZFBEL-CQSZACIVSA-N 314.385 1.853 70 50 DDIA COCC[C@@H](C)N(CCS(=O)(=O)F)Cc1cnsc1 1875382538 FSCVCOSWGWQYOV-SNVBAGLBSA-N 310.416 1.669 70 50 DDIA O=C(Cn1cnc2ccsc2c1=O)NCCc1ccccn1 218361250 ROEXHAYHWASSFP-UHFFFAOYSA-N 314.370 1.212 70 50 DDIA CC(C)(C)c1nsc(N2CCC(CS(N)(=O)=O)CC2)n1 159439643 XBZPRVHSAUYOLR-UHFFFAOYSA-N 318.468 1.341 70 50 DDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cccnc1)C2 218417418 AHEQNBCQPKDYCL-HNNXBMFYSA-N 300.362 1.306 70 50 DDIA C[C@H](NC(=O)CCn1cncn1)c1ccccc1-n1cccn1 159773845 DRTFMQFGBNLWAG-ZDUSSCGKSA-N 310.361 1.731 70 50 DDIA CCc1nccn1CCC(=O)N1CC[C@H](N2CCCCC2)C1 217180123 LNZTYFKENLUEDD-HNNXBMFYSA-N 304.438 1.922 70 50 DDIA COc1cccc(N2CCC(N[C@@H]3COCC[C@H]3O)CC2)c1 217393341 VAZZQHMDXAIOGI-IAGOWNOFSA-N 306.406 1.403 70 50 DDIA CC(C)[S@@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1 1875383868 BNAQPXYIQRDTSO-LJQANCHMSA-N 324.355 1.321 70 50 DDIA O=[N+]([O-])c1ccc(NC2CCN(S(=O)(=O)F)CC2)cc1 1875373703 LDRRHMZKAJBMMJ-UHFFFAOYSA-N 303.315 1.685 70 50 DDIA CSc1ccc(CC(=O)N2CC(N3CCOCC3)C2)cc1 218533160 GTQXASZUILDEJP-UHFFFAOYSA-N 306.431 1.494 70 50 DDIA COCCN1CC[C@H](CN(C)C(=O)Cc2ccc(O)c(F)c2)C1 217496519 CXPTTXZGGDZTFR-CQSZACIVSA-N 324.396 1.501 70 50 DDIA NC[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 160314627 DDXNQADBFDFRPG-OAHLLOKOSA-N 301.390 1.372 70 50 DDIA Cn1cc(C(=O)Nc2n[nH]c(C3CC3)n2)c2ccccc2c1=O 218265010 KBGMDPKZUCSXPF-UHFFFAOYSA-N 309.329 1.786 70 50 DDIA Cc1cc(C)n(CC(=O)Nc2cccc(S(=O)(=O)F)c2)n1 460095208 RMFUUFLFXHVLJA-UHFFFAOYSA-N 311.338 1.797 70 50 DDIA COCc1noc(CCNC(=O)c2ccc(OC)c(C)c2)n1 217988975 GLFXMISBHJDAMJ-UHFFFAOYSA-N 305.334 1.506 70 50 DDIA CS(=O)(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 216671223 GPNHZTLKUWNLPS-NSHDSACASA-N 308.363 1.271 70 50 DDIA O=C(NS(=O)(=O)CC(F)(F)F)[C@@H]1OCCc2ccccc21 161009630 IXILACNZSOPWEA-SNVBAGLBSA-N 323.292 1.309 70 50 DDIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1cccc(C(F)(F)F)c1 217853878 SGYUJGDDELVTQA-AXTRIDKLSA-N 302.296 1.605 70 50 DDIA COCCn1ccnc1CN1CCCn2nc([C@H](C)O)cc2C1 217602881 YXLCOAORODDXQW-ZDUSSCGKSA-N 319.409 1.185 70 50 DDIA COc1ncccc1C(=O)NCCc1noc([C@H]2CCCO2)n1 217137255 GWRWCPAHMLFQMN-LLVKDONJSA-N 318.333 1.297 70 50 DDIA CC(C)(C)n1ccc(C(=O)N2CCCn3nc(CO)cc3C2)c1 217461067 XXSBBBURESYXID-UHFFFAOYSA-N 316.405 1.978 70 50 DDIA C[C@H](Cn1cncn1)NC(=O)CCc1nc(-c2ccco2)no1 218349698 UPBIUWCDZMTBKA-SNVBAGLBSA-N 316.321 1.059 70 50 DDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(C)[nH]c(=O)c1 218649705 SGOZFQWJMPGNTK-CABCVRRESA-N 320.389 1.553 70 50 DDIA CNC(=O)Cn1cc(NC(=O)CCc2ccc(F)cc2F)cn1 159430807 IMXOSLSSWDIINS-UHFFFAOYSA-N 322.315 1.479 70 50 DDIA C[C@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H]1C 1875384328 FFWIEOZEJBTKLC-UWVGGRQHSA-N 316.354 1.935 70 50 DDIA Nc1nc(C2CC(N)C2)cc(N2CCN(c3ccccc3)CC2)n1 218294752 NCYCDTAKOSSDAJ-UHFFFAOYSA-N 324.432 1.590 70 50 DDIA Cc1nonc1CC(=O)N1CCCN(Cc2cccnc2)CC1 217936487 WMWVUVFOTYOFLC-UHFFFAOYSA-N 315.377 1.050 70 50 DDIA CCO[C@H]1CN(C(=O)Cc2c(C)[nH]c3c(F)cccc23)C[C@@H]1O 218287907 DMEADAKDERUAIC-GJZGRUSLSA-N 320.364 1.766 70 50 DDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CCCCO1 1875382422 AJUUHUXFWHWAEJ-JTQLQIEISA-N 304.299 1.182 70 50 DDIA CN1CC[C@@H](n2cc(-c3ccc(S(=O)(=O)F)cc3)nn2)C1=O 1615572201 SVYRZRNONCWJAB-GFCCVEGCSA-N 324.337 1.007 70 50 DDIA CS(=O)(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 216671176 GPNHZTLKUWNLPS-LLVKDONJSA-N 308.363 1.271 70 50 DDIA Cc1n[nH]c(C)c1CCNC(=O)[C@H](Cc1ccccc1)N(C)C 217406352 UJWNQYRHMMJWHW-KRWDZBQOSA-N 314.433 1.858 70 50 DDIA O=C1C[C@H](NC(=O)C2(Cn3ccnc3)CC2)c2ccccc2N1 218185183 UUDDTLQPSPFQLA-AWEZNQCLSA-N 310.357 1.863 70 50 DDIA Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1ccncc1 160363417 ZUWHQUBKIWIMKA-GFCCVEGCSA-N 300.318 1.680 70 50 DDIA CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)F)c1 238856206 VKBNXXHYNUVQPO-UHFFFAOYSA-N 317.157 1.511 70 50 DDIA CCc1nccn1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 218766597 WJNBNUBEOKODSK-OAHLLOKOSA-N 320.437 1.159 70 50 DDIA Cn1cccc1C(=O)C(=O)NCc1ccc(-n2cncn2)cc1 218012403 DESNYYGFJUKJCO-UHFFFAOYSA-N 309.329 1.105 70 50 DDIA CCO[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CNCCO2)C12CCCC2 160620510 REVGYRASURNYMK-RBSFLKMASA-N 310.438 1.561 70 50 DDIA NC(=O)NC1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CC1 160940646 COCHPEXQWQJJID-UHFFFAOYSA-N 319.380 1.808 70 50 DDIA CC(C)[S@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1 1875383866 BNAQPXYIQRDTSO-IBGZPJMESA-N 324.355 1.321 70 50 DDIA O=C(NCCSc1cnn[nH]1)c1scc2c1OCCO2 218642953 IFRKLFSPUOADBS-UHFFFAOYSA-N 312.376 1.160 70 50 DDIA O=C(Cc1cnccn1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 218612539 FJKXPIGLIRFLKV-ZDUSSCGKSA-N 314.320 1.080 70 50 DDIA Cc1c(C(=O)Nc2n[nH]c(C(C)C)n2)sc2nc[nH]c(=O)c12 218219504 QVVSUWODOQTCMZ-UHFFFAOYSA-N 318.362 1.787 70 50 DDIA Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1cnccn1 217852876 ZCAFLQXANJZFJV-AWEZNQCLSA-N 301.346 1.183 70 50 DDIA CCCc1nnsc1C(=O)NCCc1cc(O)nc(C)n1 218349804 PGZAPHOEUIWVKB-UHFFFAOYSA-N 307.379 1.267 70 50 DDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccco1 217719107 FQWGVUIIKWYUBM-QMMMGPOBSA-N 303.270 1.586 70 50 DDIA biogenic CN1CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 218538020 WXLSWACNYMVNJL-UHFFFAOYSA-N 301.346 1.004 70 50 DDIA CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)c1ccco1 217688914 JZWNTWXZAXUEFT-NSHDSACASA-N 301.298 1.761 70 50 DDIA Cc1nnc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)o1 217925790 YWWQMZDPIBHWBB-AWEZNQCLSA-N 302.378 1.509 70 50 DDIA COCCc1noc([C@@H]2CCCCN2C(=O)c2cnc[nH]2)n1 218167652 FXKRHSVZBXNRDJ-NSHDSACASA-N 305.338 1.349 70 50 DDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cnn(C(C)C)c2)o1 218323788 ACNJUJGIGVAGKH-NSHDSACASA-N 305.334 1.439 70 50 DDIA O=c1c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c(N2CCSCC2)c1=O 218173807 BPTNVBULLCHTID-SRVKXCTJSA-N 304.415 1.460 70 50 DDIA OCc1cc2n(n1)CCCN(Cc1nc(C(F)(F)F)no1)C2 217790868 MQOAEYKCYNAXON-UHFFFAOYSA-N 317.271 1.183 70 50 DDIA Cc1nc([C@@H](C)NC(=O)CCC(=O)N2CCCCCC2)n[nH]1 217178959 OZFZFBIGZPDFGW-LLVKDONJSA-N 307.398 1.473 70 50 DDIA COCCN1CC[C@@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 218206579 LPCKSAVVSGFSEB-ZDUSSCGKSA-N 324.446 1.991 70 50 DDIA NC(=O)C[C@@H](c1ccco1)c1c(Cc2ccccc2)[nH][nH]c1=O 218462254 FEKSTCAGIZUZOE-LBPRGKRZSA-N 311.341 1.894 70 50 DDIA CCCNC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217179505 NEGQZERPNFHMEU-MRXNPFEDSA-N 314.389 1.900 70 50 DDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(C)nc2sccn12 218307417 DVPNHXBMUZQACM-WGBDABJCSA-N 321.402 1.484 70 50 DDIA CNc1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)ccn1 218170044 KTOFCDHIVZBEOH-UXIGCNINSA-N 315.377 1.099 70 50 DDIA O[C@H]1CN(Cc2cc(C3CC3)on2)CCN(C2CCOCC2)C1 217396652 IQJBFHYEDRWADD-INIZCTEOSA-N 321.421 1.210 70 50 DDIA CC[C@@H](NC(=O)CN(C)Cc1cccnc1)c1nc(C)c[nH]1 216968288 DVKRGYVXTLKMJY-CQSZACIVSA-N 301.394 1.812 70 50 DDIA O=C(Cn1nc2ccccc2n1)N1CCOC2(CCCC2)C1 218499880 JTHFCJQIGXWXHC-UHFFFAOYSA-N 300.362 1.603 70 50 DDIA CSCC[C@@H](CO)NC(=O)Cn1cnc(-c2ccccc2)c1 218184465 NHSNLZGMXNDSTE-AWEZNQCLSA-N 319.430 1.780 70 50 DDIA Cc1n[nH]c([C@H]2CCCN2C(=O)Cn2ncc3ccccc32)n1 217528682 MAOUIHVLODDCND-CQSZACIVSA-N 310.361 1.827 70 50 DDIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nonc1C)C2 217356683 BYQRVWAOQZCBEX-GFCCVEGCSA-N 305.338 1.064 70 50 DDIA O=C(c1cccc(O)c1)N1CCC(CO)(CN2CCCC2)CC1 218383624 PGJZMFZMNVNTAA-UHFFFAOYSA-N 318.417 1.703 70 50 DDIA Cn1c(Cl)cnc1CN1CCN(Cc2ccncc2)CC1 161205321 AMOKKTKAWSCFPQ-UHFFFAOYSA-N 305.813 1.786 70 50 DDIA CSc1ncc(C(=O)N(C)[C@@H](C)Cc2cnccn2)cn1 218548811 ISKWNAVTCSDWIU-JTQLQIEISA-N 303.391 1.692 70 50 DDIA COc1ccc(CC(=O)N(C)Cc2cnccn2)c(OC)c1 216914910 JSXLRDVHRSHXHB-UHFFFAOYSA-N 301.346 1.695 70 50 DDIA COc1ccccc1N1CC[C@@H](NC(=O)C[C@H](C)OC)C1=O 161263733 VFAHSJPALVLWGW-NWDGAFQWSA-N 306.362 1.342 70 50 DDIA Cc1ccc2[nH]c([C@H](C)NC(=O)c3cnc(C)[nH]c3=O)nc2c1 216957959 BFOOAAMOKRXUNV-VIFPVBQESA-N 311.345 1.754 70 50 DDIA Cc1nc(C)c(CC(=O)N(C)Cc2csc(C)n2)c(=O)[nH]1 217626849 RQIJZVLTNPDZGK-UHFFFAOYSA-N 306.391 1.353 70 50 DDIA Cc1nc2ccccn2c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 218539411 NVROKYATKZJPRD-UHFFFAOYSA-N 323.356 1.201 70 50 DDIA O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@H]1c1ccncc1 160219823 SWZSSZPJDIXKMZ-KGLIPLIRSA-N 323.418 1.505 70 50 DDIA CN1CCN(c2cc(OS(=O)(=O)F)ccc2Cl)CC1 1875374398 OAFUNRATUDGLQL-UHFFFAOYSA-N 308.762 1.685 70 50 DDIA CC(=O)c1ccc(OS(=O)(=O)F)c(CN2CCOCC2)c1 1875389951 UNMMWCIYJMSQGV-UHFFFAOYSA-N 317.338 1.315 70 50 DDIA O=C([C@@H]1CCCCO1)N1CCN(CCc2ccccc2)CC1 160361341 XVUFLBFWNSVGKV-KRWDZBQOSA-N 302.418 1.942 70 50 DDIA COC[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H]2CCO[C@@H]21 218081331 CJWRWICWETYKJJ-JLUCKKNBSA-N 305.330 1.195 70 50 DDIA Cc1ccc(Cc2ccccc2C(=O)NCc2n[nH]c(=O)[nH]2)cc1 217049644 GYDQYCFORXAJGE-UHFFFAOYSA-N 322.368 1.927 70 50 DDIA Cn1nnc(-c2ccc(OCC(=O)Nc3ccccn3)cc2)n1 218290273 JZPINQLUXUVCSC-UHFFFAOYSA-N 310.317 1.290 70 50 DDIA NC(=O)[C@@H](c1ccccc1)C1CCN(S(=O)(=O)F)CC1 1875376277 QZFFBAXHPSFBBM-LBPRGKRZSA-N 300.355 1.182 70 50 DDIA O=C(NS(=O)(=O)C1CCCC1)[C@@H]1OCCc2ccccc21 161159848 CQNLSFUUXSLBQA-CQSZACIVSA-N 309.387 1.689 70 50 DDIA CN(Cc1cc[nH]n1)C(=O)CCc1nc(-c2ccco2)no1 216949014 FOQPNOQQXGOTRI-UHFFFAOYSA-N 301.306 1.644 70 50 DDIA O=S(=O)(F)CCN(Cc1cccs1)C[C@H]1CCOC1 1875382824 SWGJTUCGMJECPA-LLVKDONJSA-N 307.412 1.886 70 50 DDIA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cc(CO)ccn1 217988303 DTDAQBVBUIUBPM-CYBMUJFWSA-N 317.389 1.095 70 50 DDIA Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CC=CCC1 161310405 FWUMDVUOVDOQRX-JTQLQIEISA-N 314.432 1.790 70 50 DDIA O=C(N[C@@H]1COCC[C@H]1O)C1(N2CCCCC2)CCCCC1 217533929 LEHIFEVWRGRWGS-HUUCEWRRSA-N 310.438 1.441 70 50 DDIA Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)c(C)o1 217495194 KUFPVUCQLGZAND-UHFFFAOYSA-N 319.405 1.323 70 50 DDIA COc1ccc(C(=O)NCc2cnn3cccnc23)c(OC)n1 217527200 BGBOWJVSCGHTFG-UHFFFAOYSA-N 313.317 1.072 70 50 DDIA O=S(=O)(F)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 1875374162 CVRSBLBFDDUAMJ-UHFFFAOYSA-N 323.367 1.454 70 50 DDIA CN(C)C(=O)c1ccc(CNC(=O)CSc2ccncc2)o1 218759994 LLPKPEOXCVKOSU-UHFFFAOYSA-N 319.386 1.785 70 50 DDIA CN(C(=O)[C@H]1CSCN1)[C@@H]1CCN(c2ccccc2F)C1=O 159935618 DJETWRNOTQENES-DGCLKSJQSA-N 323.393 1.052 70 50 DDIA O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H]2CCC[C@H](C1)N2 160407353 DVQMKEPXGCQVIW-BETUJISGSA-N 301.394 1.043 70 50 DDIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1 217767465 RKAWZCPBUFVSLF-GFCCVEGCSA-N 303.314 1.670 70 50 DDIA biogenic C[C@H](NCc1ccc(OS(=O)(=O)F)cc1)c1cnn(C)c1 1875385187 NYEJUWFEQWRIQC-JTQLQIEISA-N 313.354 1.864 70 50 DDIA CSc1ncc(C(=O)N[C@H](c2nccn2C)C2CC2)cn1 218269484 IMLFQMDLYFWASV-NSHDSACASA-N 303.391 1.813 70 50 DDIA O=c1cc(CN2CCCCC2)oc(CN2CCOCC2)c1O 217657457 ASYZUWMATXSXAM-UHFFFAOYSA-N 308.378 1.164 70 50 DDIA biogenic CNC[C@@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 161341878 VXPAEXWCHQBXSP-LSDHHAIUSA-N 318.421 1.305 70 50 DDIA CC(C)(C(=O)N[C@@H]1CCOC[C@H]1OCCO)c1ccccc1 218025631 LBQCAUURFNYBQN-HUUCEWRRSA-N 307.390 1.247 70 50 DDIA CC[C@H](NC(=O)c1cc(CC(C)C)nc(N)n1)C1CC(O)C1 218281059 OVVDPHWLKNLCTH-GDKBPFBDSA-N 306.410 1.537 70 50 DDIA Cc1nc(C)c(CC(=O)NCc2nccn2C(C)C)c(=O)[nH]1 218326542 ZSSOJMJFMQUZNJ-UHFFFAOYSA-N 303.366 1.023 70 50 DDIA C[C@@H]1CC[C@@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385468 UEAJSJRQSFSNQV-NXEZZACHSA-N 316.354 1.935 70 50 DDIA CNC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1O 161156893 CCGPXIXEBHWTAC-CYBMUJFWSA-N 300.362 1.402 70 50 DDIA Cc1nc(C)c(CC(=O)N[C@H]2C[C@@H](c3cc(=O)[nH]cn3)C2)s1 218316767 NUDDREBHRMEJNN-XYPYZODXSA-N 318.402 1.448 70 50 DDIA CC(C)[C@@H](CO)NC(=O)CCCc1nc(-c2cccnc2)no1 218403631 YVFKNKJUNWEXLO-CYBMUJFWSA-N 318.377 1.587 70 50 DDIA O=C(CC1=CCCC1)N1CCCn2nc([C@@H](O)CO)cc2C1 217525591 UVJDAFIDSDKPQP-HNNXBMFYSA-N 305.378 1.142 70 50 DDIA Cc1cccc([C@H](NC(=O)[C@H](C)NC(N)=O)c2ccccn2)c1 160157305 DDLVDXQDFWUZPK-WFASDCNBSA-N 312.373 1.652 70 50 DDIA N[C@H]1CC[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 216696684 AMJWMVOXILGASA-RYUDHWBXSA-N 322.430 1.936 70 50 DDIA COCCN1C[C@@H](Cc2ccc(-n3cnnc3)nc2C)CC1=O 218211053 KJZGHXVLTYFTQP-ZDUSSCGKSA-N 315.377 1.008 70 50 DDIA CSc1ncccc1C(=O)N1CCC[C@]2(CC1)CNC(=O)O2 217201393 AYWMNTLWDDEAIQ-HNNXBMFYSA-N 321.402 1.908 70 50 DDIA Cc1ccccc1[C@H](C(=O)NCc1cnc2cnccn12)N(C)C 217082554 UXTCDLXBKFFOGT-QGZVFWFLSA-N 323.400 1.957 70 50 DDIA O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CSCN1 159679883 GSDSZJBDPUPQBZ-MNOVXSKESA-N 321.229 1.806 70 50 DDIA Cc1ccc(C)n1CC(=O)NCCCc1nnc2ccccn12 218611536 ZOABIRFBRSIROM-UHFFFAOYSA-N 311.389 1.897 70 50 DDIA C[C@@H](Cn1cncn1)C(=O)NCc1ccc(-n2cccn2)cc1 218210872 CCAZFJLYTZKYMX-ZDUSSCGKSA-N 310.361 1.416 70 50 DDIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCc1c(C)nc(O)nc1C)C2 217850694 ACFNPRVFECQDSJ-VIKVFOODSA-N 319.405 1.615 70 50 DDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3c(c2)OCO3)o1 217633980 YQCGDRMPQHSZTB-SNVBAGLBSA-N 317.297 1.390 70 50 DDIA biogenic O=C(OCc1ccccc1)N1CC[C@@H](CS(=O)(=O)F)C1 238855957 UINGZMLLNIJBMC-GFCCVEGCSA-N 301.339 1.944 70 50 DDIA O=S(=O)(F)N1Cc2ccccc2OC2(CCOCC2)C1 1875368254 COVBNHAFWVKZHA-UHFFFAOYSA-N 301.339 1.645 70 50 DDIA CC(=O)Nc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1Cl 218611724 ZBPRJKABJVSIOU-UHFFFAOYSA-N 307.737 1.983 70 50 DDIA COCCc1nc(CNC(C)=O)n(Cc2ccc(OC)cc2)n1 217109998 JQTVHXCOBXJSRI-UHFFFAOYSA-N 318.377 1.160 70 50 DDIA Cc1nc2ccc(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)cc2[nH]1 217598505 HBZURDDEXJYKGZ-GFCCVEGCSA-N 319.386 1.436 70 50 DDIA Cc1ncoc1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 218564420 AXBJSUPORFWSMY-NEPJUHHUSA-N 323.374 1.544 70 50 DDIA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1cccc(C(F)(F)F)c1 217854029 SGYUJGDDELVTQA-XXILOJSOSA-N 302.296 1.605 70 50 DDIA Cc1oncc1C(=O)N1CCC([C@H](O)c2ccccn2)CC1 218078756 JRVSBWDNSHYDMM-HNNXBMFYSA-N 301.346 1.964 70 50 DDIA CC(C)c1nc(CN(C)C(=O)c2nnc3n2CCCCC3)no1 217177256 YYUPDLMTDACEPZ-UHFFFAOYSA-N 318.381 1.783 70 50 DDIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1ccccc1F)C2 217208972 SLRFIYIKSGOGFX-KGLIPLIRSA-N 304.365 1.838 70 50 DDIA COC(=O)c1nc(-c2ccccc2OS(=O)(=O)F)co1 1875374153 CMVVPHDJZRGRMY-UHFFFAOYSA-N 301.251 1.721 70 50 DDIA O=C(NCc1ccccc1-n1cncn1)c1ccn(C(F)F)n1 218438406 PFYSTJFGXKZNCB-UHFFFAOYSA-N 318.287 1.789 70 50 DDIA CC(C)[C@@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl 218412715 WSIAVOKQSQFRDJ-CYBMUJFWSA-N 308.769 1.667 70 50 DDIA COCc1nc(N[C@@H](C)c2n[nH]c(C)n2)cc(C2CC(N)C2)n1 218238175 ILDCNHOVOWHQIM-PUSIOWJLSA-N 317.397 1.427 70 50 DDIA Cc1nc(CNC(=O)COCC(F)(F)C(F)F)cs1 217030666 HBLYMLMEUYRHSE-UHFFFAOYSA-N 300.277 1.985 70 50 DDIA O=C(CC1=CCCC1)N1CCCn2nc([C@H](O)CO)cc2C1 217525674 UVJDAFIDSDKPQP-OAHLLOKOSA-N 305.378 1.142 70 50 DDIA CN1CCCC[C@H]1CNC(=O)c1ccc(SCCO)cc1 217880356 WMYZXGARUGDLJY-AWEZNQCLSA-N 308.447 1.985 70 50 DDIA N[C@@H]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 160264140 XLPQTDHISUKLAX-MRXNPFEDSA-N 321.384 1.653 70 50 DDIA COc1ccccc1N1CC[C@H](NC(=O)CN2CCCC2=O)C1 161185991 OOYQGEWSWCLEIP-ZDUSSCGKSA-N 317.389 1.013 70 50 DDIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCO)n1 218248975 XARDKMOYJUMOOC-OAHLLOKOSA-N 314.389 1.225 70 50 DDIA CN(CC(F)(F)F)C(=O)c1cncc(OS(=O)(=O)F)c1 1875385536 VOINKDNPJOLWCX-UHFFFAOYSA-N 316.232 1.309 70 50 DDIA Cc1nc(C)c(CC(=O)N[C@H](C)Cc2cccnc2)c(=O)[nH]1 217411211 WGXIEMNNBJWAKR-SNVBAGLBSA-N 300.362 1.072 70 50 DDIA CCOC(=O)C1=C(S(=O)(=O)Cl)CCC2(C1)OCCO2 117348894 RJZPQLQOMSWCDR-UHFFFAOYSA-N 310.755 1.299 70 50 DDIA CN1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 217722805 QRZDRAFEXZJZFI-CYBMUJFWSA-N 306.410 1.728 70 50 DDIA COc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)cc1OC 217383041 NHRONYHMTYHFFU-OAHLLOKOSA-N 305.422 1.135 70 50 DDIA COc1cc(C)cc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 159905837 ISUFEMLQHXMCFZ-ZDUSSCGKSA-N 317.389 1.566 70 50 DDIA COc1ccc(CN2CCN(S(=O)(=O)F)CC2)cc1OC 1875368490 UZMMUGLWORFNSL-UHFFFAOYSA-N 318.370 1.036 70 50 DDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1coc2ccccc2c1=O 218285357 ZTPMEEWLEZVKGS-SNVBAGLBSA-N 313.313 1.125 70 50 DDIA COC[C@@H](C)n1ccc(N(CCS(=O)(=O)F)CC2CC2)n1 1875382549 FZBASAFBSGXMGA-LLVKDONJSA-N 319.402 1.606 70 50 DDIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1OC 218314779 JFRAGCSPASNWQF-JTQLQIEISA-N 305.334 1.036 70 50 DDIA CSc1ncc(C(=O)N(C)[C@H](C)Cc2cnccn2)cn1 218548885 ISKWNAVTCSDWIU-SNVBAGLBSA-N 303.391 1.692 70 50 DDIA O=C1CCC(C(=O)NCCc2nccc(-c3ccccc3)n2)=NN1 217078518 HMNUJFHQMIMTAT-UHFFFAOYSA-N 323.356 1.068 70 50 DDIA O=C(NCc1ccccc1OS(=O)(=O)F)c1ccncc1 1875375725 NFXRBAUGNQPCAR-UHFFFAOYSA-N 310.306 1.605 70 50 DDIA Cc1cc(=O)cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)o1 218598996 GASCPSHKLOABQI-UHFFFAOYSA-N 303.362 1.993 70 50 DDIA CC(=O)c1c(C)nn(CCC(=O)N(C)Cc2cnccn2)c1C 217127785 BFIRTGCRMFFXQM-UHFFFAOYSA-N 315.377 1.541 70 50 DDIA COCCN1C[C@H](Cc2ccc(Cn3ccnc3)cc2)CC1=O 218068577 RKEAEJYEOZCMKN-QGZVFWFLSA-N 313.401 1.969 70 50 DDIA Cc1cc(C)n(C2CN(c3cc([C@H]4C[C@@H](N)C4)nc(C)n3)C2)n1 218215066 RHQNOVCRDJURMW-HDJSIYSDSA-N 312.421 1.864 70 50 DDIA CCOCCOc1ccccc1C(=O)NCc1nnc(C)o1 217174298 JJKZRRHUTXVTHB-UHFFFAOYSA-N 305.334 1.723 70 50 DDIA Cc1cccc([C@@H](C(=O)NCCN2CCCCC2=O)N(C)C)c1 218122533 HJNGKVDQOQCFPV-KRWDZBQOSA-N 317.433 1.726 70 50 DDIA O=C(NCc1noc(C2CC2)n1)c1n[nH]c(=O)c2ccccc12 218439618 ITBIXPIZOGDALY-UHFFFAOYSA-N 311.301 1.114 70 50 DDIA Cc1cc(C)n2c(C(=O)NCCc3scnc3C)nnc2n1 217169731 XMFJGCUZTFFVSW-UHFFFAOYSA-N 316.390 1.479 70 50 DDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1cccnc1 1875384928 KDBFBCVRVFVVIM-UHFFFAOYSA-N 311.294 1.346 70 50 DDIA C[C@H]1C(=O)N(CCS(=O)(=O)F)C(=O)N1c1ccccc1 100836642 ZSBTZTIIYIWKMZ-VIFPVBQESA-N 300.311 1.143 70 50 DDIA O=C(NCc1ccco1)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 218487975 SZOWWBPKLOICQC-IJEWVQPXSA-N 315.373 1.856 70 50 DDIA COC(=O)[C@H](CCSC)NC(=O)c1nc(C)sc1C 218133647 PPHUVMWBQDUHRF-VIFPVBQESA-N 302.421 1.784 70 50 DDIA O=C(Cn1ncc2ccccc21)N1CCC(n2cnnc2)CC1 217478003 ISZYQSIFKAXJID-UHFFFAOYSA-N 310.361 1.492 70 50 DDIA O=C(NS(=O)(=O)CCCF)[C@H]1OCCc2ccccc21 161064299 PJEFQMMGVWKMQE-LBPRGKRZSA-N 301.339 1.106 70 50 DDIA CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 161356225 VOLJGRAYSDTAFW-VXGBXAGGSA-N 306.362 1.342 70 50 DDIA O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)C1CC1 218173610 LLTGZTAOBQZEJN-JTQLQIEISA-N 301.437 1.441 70 50 DDIA CO[C@H](C(=O)N1CCC2(CCC(=O)N2)CC1)c1ccccc1 217474344 UEQGBPYYKWYWSY-HNNXBMFYSA-N 302.374 1.645 70 50 DDIA CSCc1ccc(C(=O)NCCNc2nc(C)cc(=O)[nH]2)o1 218612366 XLUVBIDQTXKCHA-UHFFFAOYSA-N 322.390 1.376 70 50 DDIA C[C@@H](c1ccccn1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1 160122163 MBXFXHSUCUAKEM-NSHDSACASA-N 319.796 1.702 70 50 DDIA CCC[C@H](NC(C)=O)C(=O)NCc1ccc2nc(C)[nH]c2c1 218504162 YPLPVRLKFXZOPN-AWEZNQCLSA-N 302.378 1.792 70 50 DDIA Nc1ccc(C(=O)NC2CCCCC2)c(OS(=O)(=O)F)c1 1875374553 WHBASPJQRKGCFV-UHFFFAOYSA-N 316.354 1.924 70 50 DDIA CN1C[C@@]2(CCN(C(=O)CN3Cc4ccccc4C3)C2)OC1=O 217591566 ZJKUQRVNCNWKJY-QGZVFWFLSA-N 315.373 1.055 70 50 DDIA O=C(CC1(n2cccc2)CCOCC1)NCC1CCOCC1 218238111 DPNPYUSBEWCZFG-UHFFFAOYSA-N 306.406 1.927 70 50 DDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cn1ccc(=O)cc1 218320635 HFLBFEPVVDSQKM-CVEARBPZSA-N 320.389 1.105 70 50 DDIA O=C(CCCc1ccc(F)cc1)NCCc1noc(CO)n1 217370169 UQXDMNFFGYHTEA-UHFFFAOYSA-N 307.325 1.383 70 50 DDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@@H](CO)C1 1875382300 XLQDVKNWKFJECF-SECBINFHSA-N 318.326 1.126 70 50 DDIA O=C(CCCn1cncn1)N1CC(Oc2ccccc2F)C1 217550505 BORUZCVOGLVWIK-UHFFFAOYSA-N 304.325 1.487 70 50 DDIA COc1cccc(OCC(=O)NCCc2nc(C)cc(C)n2)c1 218115530 OSQJXYLYOFWXBQ-UHFFFAOYSA-N 315.373 1.840 70 50 DDIA COC(=O)CCNC(=O)Cn1ccc2c(NC(C)=O)cccc21 218289516 JMMYGHPUSDISKU-UHFFFAOYSA-N 317.345 1.279 70 50 DDIA Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CC(=O)OC1(C)C 218306436 RGSUEDWEMLYNIO-LBPRGKRZSA-N 315.373 1.803 70 50 DDIA CN1CCN(c2ccc(C(=O)NC[C@H]3CCOC3)cc2)CC1 218072114 RDBOGHLPVUTOKX-CQSZACIVSA-N 303.406 1.205 70 50 DDIA Cc1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)on1 218126087 NGRFISSURGJMON-ZIAGYGMSSA-N 317.345 1.482 70 50 DDIA CC[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1nc(C)c[nH]1 217387039 ISULXPSCQYCXCF-NSHDSACASA-N 314.345 1.894 70 50 DDIA Cn1ccnc1[C@@H](NC(=O)CN1CCOC1=O)c1ccccc1 217027755 LZVSGPALFXQSFO-AWEZNQCLSA-N 314.345 1.078 70 50 DDIA O=C(NCCN1CCOCC1)c1cnc2ccc(F)cc2c1O 218179835 LEKICHXBGFTFBG-UHFFFAOYSA-N 319.336 1.142 70 50 DDIA COCCN(C)CC(=O)N[C@@H](C)c1nc2cc(C)ccc2[nH]1 217744373 KCAKSYCTANVFKC-LBPRGKRZSA-N 304.394 1.627 70 50 DDIA Cc1cccc(CNC(=O)CS(=O)(=O)C2CCOCC2)c1 160029653 YUMRCKPHAKTGFS-UHFFFAOYSA-N 311.403 1.205 70 50 DDIA Cc1cccnc1NCCNC(=O)Cn1ncc2ccccc21 218735142 MMJIVWRDLIDLSE-UHFFFAOYSA-N 309.373 1.968 70 50 DDIA Cc1nnc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)o1 217395835 TYEUUDREAUJZBM-NWDGAFQWSA-N 322.409 1.715 70 50 DDIA COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1Cl 217192167 LKYOKAQTRIFNSC-XWIASGKRSA-N 317.794 1.804 70 50 DDIA O=C1CN(CC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)C(=O)N1 217393120 SESSBMHVOIVDGP-NSHDSACASA-N 321.764 1.208 70 50 DDIA COc1ccc(CCNC(=O)COc2c(C)occc2=O)cc1 217982304 HHEIYUMURNDDFE-UHFFFAOYSA-N 317.341 1.695 70 50 DDIA biogenic COCc1cc(CNc2cc(C3CC(N)C3)nc(C)n2)n[nH]1 218593249 GWICCOZPGQAQSQ-UHFFFAOYSA-N 302.382 1.471 70 50 DDIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)C1(c2ccccc2)CCNCC1 218579684 MXKIONFGHXYXAB-PMPSAXMXSA-N 300.402 1.601 70 50 DDIA O[C@@H]1CCOC[C@H]1NC1CCN(CCc2ccccc2)CC1 217484536 NRACSDNWKPIFKB-QZTJIDSGSA-N 304.434 1.433 70 50 DDIA CN1CC[C@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)C[C@H]21 218648065 UVCGSWOBWQLNNF-DZGCQCFKSA-N 304.365 1.951 70 50 DDIA Cc1cc(=O)cc(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)o1 217712670 IFFROFLKXRILGA-HNNXBMFYSA-N 320.389 1.275 70 50 DDIA C[C@@H](Cn1cncn1)N(CCS(=O)(=O)F)CC1(C)CC1 1875382661 LEARAUFSMAFVPW-NSHDSACASA-N 304.391 1.068 70 50 DDIA CN(Cc1cnccn1)C(=O)[C@H](c1ccccc1F)N(C)C 217164999 WVLMEESBNUDGFQ-HNNXBMFYSA-N 302.353 1.877 70 50 DDIA CNC(=O)Cc1ccc(C[C@H]2CC(=O)N(CCOC)C2)cc1 218539979 QHMXCGPJAKCWIP-HNNXBMFYSA-N 304.390 1.013 70 50 DDIA CSc1ccccc1C(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217727894 NYWRNVSBSKFYGM-VWUVDNNOSA-N 307.415 1.612 70 50 DDIA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc2ccccc2c1 218148038 DINOVJHXJJYUSU-IAGOWNOFSA-N 315.369 1.736 70 50 DDIA COc1cccc2c(O)c(C(=O)NCCCN(C)C)cnc12 218408521 UCSNMGJPQNKVEK-UHFFFAOYSA-N 303.362 1.631 70 50 DDIA Cc1nc(N)sc1C(=O)NCCCOC1CCN(C)CC1 218475392 DMMWSYFKZIJLGL-UHFFFAOYSA-N 312.439 1.264 70 50 DDIA Cc1ccn(-c2ccccc2NC(=O)[C@H](C)S(C)(=O)=O)n1 161126305 IHKIQWODPHDITE-NSHDSACASA-N 307.375 1.552 70 50 DDIA Cc1nc(C)n(CCCNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1 218254227 JMKUSGBFYHJNEF-AWEZNQCLSA-N 322.796 1.788 70 50 DDIA Cc1cc(C)n(C2CN(C(=O)CCCN3CCCCC3=O)C2)n1 218343010 INHQOHVWNZXIMU-UHFFFAOYSA-N 318.421 1.676 70 50 DDIA OCc1cc2n(n1)CCN(Cc1cncn1C1CCCC1)C2 216960896 RCXXINYZFBSIQR-UHFFFAOYSA-N 301.394 1.703 70 50 DDIA CC1=NO[C@@H](C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)C1 218378393 FOAIOMWWKMXGPN-CQSZACIVSA-N 313.357 1.664 70 50 DDIA CCOc1ccc(C(=O)N2CCCn3nc(CO)cc3C2)o1 217410021 UPFGDCLYSJAQOI-UHFFFAOYSA-N 305.334 1.413 70 50 DDIA CSCc1noc(CNC(=O)CCN2C[C@@H]3CC[C@H]2C3)n1 218541456 VSIDHTQZNOXNBB-MNOVXSKESA-N 310.423 1.423 70 50 DDIA Cc1cc(C)n(CCCN(C)C(=O)CCC2=NNC(=O)CC2)n1 217448466 XJKRGMZENSDDRF-UHFFFAOYSA-N 319.409 1.395 70 50 DDIA C[C@@H]1CC(F)(F)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384924 KAZKBFLBSYSBGU-SSDOTTSWSA-N 324.280 1.544 70 50 DDIA CN1C[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1CO 218421180 RGGVXISVPVNCIB-MNOVXSKESA-N 317.216 1.717 70 50 DDIA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc2ccccc2n1 218632920 GUJBYGNHOGETCM-IRXDYDNUSA-N 311.385 1.828 70 50 DDIA Cc1conc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460092507 JROOYFOLGHYZSE-UHFFFAOYSA-N 320.323 1.442 70 50 DDIA C[C@@H](NC(=O)c1n[nH]c(N)c1Cl)c1cn2ccsc2n1 218739857 WMPCOMWAMVGLEW-RXMQYKEDSA-N 310.770 1.846 70 50 DDIA CC(C)CCC(=O)NCC(=O)N1CCC(NCC2CC2)CC1 159762555 JEPJPIMZRYXZTH-UHFFFAOYSA-N 309.454 1.529 70 50 DDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cn1cnc2ccccc21 218473611 MBNKQLYVJKFZSP-SONRMIBWSA-N 315.373 1.202 70 50 DDIA CN(CC(=O)NCc1ccc2nonc2c1)Cc1cccnc1 218333272 QGEWSBZDEHSJNT-UHFFFAOYSA-N 311.345 1.366 70 50 DDIA COC[C@@H]1[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@@H]2CCO[C@@H]21 218092033 ANJPZOLFRYIWTG-XCCSTKFXSA-N 313.785 1.093 70 50 DDIA CSCC(=O)N[C@H]1CC[C@@H](C(=O)NCCCc2ccco2)C1 216837001 OXFHPZHJRQPJPV-OLZOCXBDSA-N 324.446 1.976 70 50 DDIA CN(C)CCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 218374491 SNDFINAUJNGCJD-UHFFFAOYSA-N 316.405 1.314 70 50 DDIA O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@@H]1c1ccncc1 160219955 SWZSSZPJDIXKMZ-ZIAGYGMSSA-N 323.418 1.505 70 50 DDIA CCn1nccc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385701 ZKEHCQFQSBHQAT-UHFFFAOYSA-N 313.310 1.748 70 50 DDIA O=S1(=O)CC[C@H](c2nn3c(-c4cccnc4)nnc3s2)C1 218359707 XOJXERWVHLZCGF-VIFPVBQESA-N 321.387 1.150 70 50 DDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)c2ccccc12 218080188 ZJPDGHDYTYPXFM-ZIAGYGMSSA-N 302.330 1.062 70 50 DDIA OC[C@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c13)C2 217446991 XCZVDFVXRADDMS-INIZCTEOSA-N 312.373 1.406 70 50 DDIA C[C@@H](C(=O)NCCSc1cnn[nH]1)n1cc(Cl)cn1 218053495 LFMJECNMKCCXFD-ZETCQYMHSA-N 300.775 1.124 70 50 DDIA N[C@H]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1 216999903 TVFORUBXTZYWAT-CABCVRRESA-N 315.417 1.917 70 50 DDIA COc1cc(CN2CCN(S(=O)(=O)F)CC2)cc(OC)c1 1875368509 WTBBECPBWZTPDQ-UHFFFAOYSA-N 318.370 1.036 70 50 DDIA COCCN1C[C@@H](Cc2ccc(Cn3ccnc3)cc2)CC1=O 218068510 RKEAEJYEOZCMKN-KRWDZBQOSA-N 313.401 1.969 70 50 DDIA COC(=O)CCNC(=O)c1cnc2c(OC)cccc2c1O 218478132 PWIFQAHPXVNLEY-UHFFFAOYSA-N 304.302 1.242 70 50 DDIA CC(C)(C)OC(=O)N1CCN(CCOC[B-](F)(F)F)CC1 197883376 LRESOWNSBHMTLA-UHFFFAOYSA-N 311.133 1.942 70 50 DDIA in-vitro COc1ccc([C@@H](O)C(=O)N2CCOC3(CCCC3)C2)cc1 218624799 RUZPXXCTPVCVRV-OAHLLOKOSA-N 305.374 1.900 70 50 DDIA CNc1cc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)ccn1 217431160 YMQTVDSDDSFQGP-JTQLQIEISA-N 301.350 1.029 70 50 DDIA Cc1cccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)n1 217082595 QVTPIVWHJROKPV-UHFFFAOYSA-N 322.372 1.395 70 50 DDIA C[C@@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383751 AJHWDCJSIKBMDY-SECBINFHSA-N 302.327 1.689 70 50 DDIA CCc1nn(C)c(Cl)c1CN1CCCn2nc(CO)cc2C1 217027993 YWEPDGDNMVXYMO-UHFFFAOYSA-N 323.828 1.731 70 50 DDIA CCc1noc(COc2ccc(OS(=O)(=O)F)cc2)n1 1875368400 ONHSCVZKKVACTJ-UHFFFAOYSA-N 302.283 1.804 70 50 DDIA CN(Cc1cc(C2CC2)[nH]n1)C(=O)COC[C@@H]1CCCCO1 218611759 QXUCWRBGGJBIAE-AWEZNQCLSA-N 307.394 1.831 70 50 DDIA COc1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cn1 218270719 ZXWZGMSUVVREMS-UHFFFAOYSA-N 316.342 1.500 70 50 DDIA COC(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCCCO2 218225940 GLGKIRYWWGPAHV-SNVBAGLBSA-N 308.334 1.209 70 50 DDIA O=C(C(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccco1 217152526 SJXHXLXJIZXFIW-UHFFFAOYSA-N 319.748 1.860 70 50 DDIA CC(C)c1nc(NC(=O)Cn2cnc3ccsc3c2=O)n[nH]1 218292713 AGEGLKIDEDOIPV-UHFFFAOYSA-N 318.362 1.338 70 50 DDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccccc1 217623508 UGZVLXCRILUYKJ-LLVKDONJSA-N 313.309 1.993 70 50 DDIA biogenic Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCCn1ccnc1 218617530 BYMRQGIPJXTWPX-UHFFFAOYSA-N 314.389 1.502 70 50 DDIA Cc1nc2ccc(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc2[nH]1 217598435 HBZURDDEXJYKGZ-LBPRGKRZSA-N 319.386 1.436 70 50 DDIA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc2ccccc2o1 218752329 DQGRIGVICHMEMT-IUODEOHRSA-N 305.330 1.329 70 50 DDIA Cc1nnc(CCNC(=O)[C@H](c2cccc(F)c2)N(C)C)s1 217376825 HPORFXDJGMRJTD-AWEZNQCLSA-N 322.409 1.947 70 50 DDIA CN1CCC(N2CCN(c3ncccc3Cl)C[C@@H](O)C2)CC1 216919794 OIZVUCQCUGCKPE-AWEZNQCLSA-N 324.856 1.312 70 50 DDIA Cc1cccc(C(=O)N2CCSCC2)c1OS(=O)(=O)F 1875374568 WWWBLCQGVMWKMB-UHFFFAOYSA-N 319.379 1.777 70 50 DDIA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)Cn1nnnc1N 217569355 LOMVPSPMLNEFEC-INIZCTEOSA-N 314.393 1.082 70 50 DDIA Cc1nc(N)ncc1C(=O)N(C)CCc1nc2ccccc2[nH]1 218712509 DUTUZIOEDIDWOB-UHFFFAOYSA-N 310.361 1.558 70 50 DDIA COc1coc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1=O 218557968 HNRPWGFGJPJRIF-QMMMGPOBSA-N 323.330 1.604 70 50 DDIA N#C/C(=C\c1cccc(S(=O)(=O)F)c1)C(=O)N1CCCC1 1875391503 IAQXFVCTDDJLEW-XYOKQWHBSA-N 308.334 1.874 70 50 DDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OC(F)F)c1 218400649 BLFMGKGZYDDEJE-SNVBAGLBSA-N 311.288 1.620 70 50 DDIA O=C(NCCc1nc(C2CC2)no1)c1scc2c1OCCO2 217794411 UZWROXNJIJQXCR-UHFFFAOYSA-N 321.358 1.752 70 50 DDIA Cn1cc(CN(C(=O)c2nc3ccccc3[nH]c2=O)C2CC2)cn1 218083702 BUXKOEUVGNGLQR-UHFFFAOYSA-N 323.356 1.461 70 50 DDIA CCc1nccn1CCC(=O)N1CC[C@@H](N2CCCCC2)C1 217180115 LNZTYFKENLUEDD-OAHLLOKOSA-N 304.438 1.922 70 50 DDIA Cc1n[nH]c([C@H]2CCCN(CC(C)(C)N3CCOCC3)C2)n1 217985588 ZPNVAFNYXZNICB-AWEZNQCLSA-N 307.442 1.403 70 50 DDIA Cc1cc(C)n2c(C(=O)N(C)Cc3c(C)noc3C)nnc2n1 218134817 PCCLFYBLSLKNNA-UHFFFAOYSA-N 314.349 1.618 70 50 DDIA O=C(NCc1nnc2n1CCC2)[C@H]1Cc2cc(Cl)ccc2N1 217776961 HZCJXQGHDHEJHQ-GFCCVEGCSA-N 317.780 1.531 70 50 DDIA COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)F)C1 1875375263 WQUMXVRBGHGXQJ-SNVBAGLBSA-N 316.354 1.560 70 50 DDIA O=C(CCOc1ccccc1)N1CCn2nc(CO)cc2C1 217885787 DRDGBWCCVFAZBU-UHFFFAOYSA-N 301.346 1.187 70 50 DDIA Cc1cc(C)c(CN2CCn3nc(CO)cc3C2)c(C)c1CO 217100597 CERQMIDQZHXIHV-UHFFFAOYSA-N 315.417 1.809 70 50 DDIA CC(=O)N[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@H]2CCO[C@H]21 218535976 FWXDTVHXFHYWTR-GWNIPJSYSA-N 315.295 1.804 70 50 DDIA Cc1nnc(CNC(=O)c2ccccc2N2CCOCC2)o1 217638529 WRCVNXZXUGUIEZ-UHFFFAOYSA-N 302.334 1.145 70 50 DDIA CN1CCN(C)[C@@H](CNC(=O)Cc2ccc(F)cc2Cl)C1 216915821 SVIQDWPXTKSLON-ZDUSSCGKSA-N 313.804 1.384 70 50 DDIA O=C(NC[C@@H]1CCCCO1)c1cc(=O)n(-c2ccccc2)[nH]1 217822852 FLUGEPVZXKQBDF-ZDUSSCGKSA-N 301.346 1.465 70 50 DDIA C[C@H]1[C@H](C)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384330 FFWIEOZEJBTKLC-ZJUUUORDSA-N 316.354 1.935 70 50 DDIA Cn1ncc(C(=O)N[C@H](CO)c2ccccc2)c1-n1cccc1 218252329 UVCDNMCVHRVUDU-OAHLLOKOSA-N 310.357 1.674 70 50 DDIA O=C(COC[C@H]1CCCO1)NCc1nc(-c2ccccc2)n[nH]1 217609536 JIYULNVKWCCXJM-CYBMUJFWSA-N 316.361 1.284 70 50 DDIA O=C(C[C@H]1CCCO1)Nc1ccc(OS(=O)(=O)F)cc1 1875382717 NKBUFJHSBPEBNV-LLVKDONJSA-N 303.311 1.787 70 50 DDIA CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncon1 952884516 HWLLPEBLLSLLNO-SECBINFHSA-N 316.314 1.183 70 50 DDIA O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Cl)cc2)C1 59530740 WVJRJNYICGIAJU-ZETCQYMHSA-N 303.723 1.052 70 50 DDIA CC[C@@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1)c1cnn(C)c1 218554303 OIRDYOYEGWURKB-LLVKDONJSA-N 317.393 1.682 70 50 DDIA Nc1nscc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 218234837 UBECTQYPQMVILF-NEPJUHHUSA-N 311.407 1.429 70 50 DDIA CNC[C@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 161341791 VXPAEXWCHQBXSP-CABCVRRESA-N 318.421 1.305 70 50 DDIA Cc1nccn1CCC(=O)NCCCn1c(C)cccc1=O 217553016 UYFLPJUGCSKPCQ-UHFFFAOYSA-N 302.378 1.258 70 50 DDIA Cc1cccnc1C(=O)N1CCC(O)(CN2CCCC2)CC1 218062054 FHYBNXWRTMYDDG-UHFFFAOYSA-N 303.406 1.453 70 50 DDIA Cc1n[nH]c(C)c1CCCNc1cc(C2CC(N)C2)nc(N)n1 218720452 BNLSFPCEAKSCOO-UHFFFAOYSA-N 315.425 1.648 70 50 DDIA Cc1nc([C@@H](NC(=O)[C@@H]2CCCNC2)c2ccccc2F)no1 160139277 LAZQDMNHTDNFIJ-RISCZKNCSA-N 318.352 1.722 70 50 DDIA Cc1c(OCCN2CCOCC2)cccc1OS(=O)(=O)F 1875374503 UAQJPMAUHNDARH-UHFFFAOYSA-N 319.354 1.299 70 50 DDIA C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@]1(C)CO 1875387720 UQYQFQDOAXNKEK-FZMZJTMJSA-N 317.382 1.730 70 50 DDIA CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nccs1 952884957 VOJBZAOJRPQDDY-UHFFFAOYSA-N 317.367 1.795 70 50 DDIA Cc1cc(C(=O)N2CCOc3ccc(CO)cc3C2)nc(C)n1 217016196 NYWIGIWNRGIXFO-UHFFFAOYSA-N 313.357 1.621 70 50 DDIA CC[C@@H](NC(=O)CN1CCCN(C)CC1)c1ncccc1C 218769029 FJYMLNIGFTVKTD-OAHLLOKOSA-N 304.438 1.595 70 50 DDIA Cc1cc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)on1 218242704 BCUCCTCRTIYTTJ-UHFFFAOYSA-N 313.357 1.969 70 50 DDIA COC(=O)c1sccc1Nc1c(NCC(C)C)c(=O)c1=O 218358113 RFCZTMBNOMOQEJ-UHFFFAOYSA-N 308.359 1.942 70 50 DDIA CCc1nccn1CCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 216999399 BGVFLJKUZGIHHP-LBPRGKRZSA-N 302.382 1.360 70 50 DDIA Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCC1 218481977 UJVRFVWHVUSRPY-UHFFFAOYSA-N 305.422 1.673 70 50 DDIA CN1C[C@@]2(CCCN(C(=O)CSc3ncccn3)C2)OC1=O 217040132 BBLFOJOFWNAIIU-CQSZACIVSA-N 322.390 1.012 70 50 DDIA CCc1ccc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)nc1 218711205 HMQSXRRBWKUIMN-UHFFFAOYSA-N 312.421 1.857 70 50 DDIA CC(C)(C)OC(=O)N1CCC[C@@](C#N)(CS(=O)(=O)F)C1 1775955822 ZMRDDUCHMMNXED-LBPRGKRZSA-N 306.359 1.827 70 50 DDIA Oc1c([C@H](c2ccsc2)N2CCOCC2)sc2ncnn12 218547787 ZCEZGAKESRWRIZ-JTQLQIEISA-N 322.415 1.980 70 50 DDIA CSCC[C@H](NC(C)=O)C(=O)NCc1nc2ccccc2o1 218760995 DACVNHLTGGVRAX-LBPRGKRZSA-N 321.402 1.702 70 50 DDIA CC(C)c1ncc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)s1 161152012 COJOZJQNLZPVPN-VIFPVBQESA-N 307.375 1.286 70 50 DDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cccnc1)C2 218417348 AHEQNBCQPKDYCL-OAHLLOKOSA-N 300.362 1.306 70 50 DDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnoc1-c1ccccc1 218263311 JBGCXHQIMYLLLU-ZIAGYGMSSA-N 302.330 1.875 70 50 DDIA CC[C@@H](NC(=O)CCN1CCCCCC1=O)c1cnn(C)c1 218761461 PUQZMSRJWLPVMV-CQSZACIVSA-N 306.410 1.780 70 50 DDIA Cc1cc(CC(=O)NC2CCN(C(=O)N3CCCC3)CC2)on1 218331058 YLPOXXIEHCVYPW-UHFFFAOYSA-N 320.393 1.322 70 50 DDIA C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1n[nH]c(=O)[nH]1 217174140 HYYHYWCMXWTWOI-JTQLQIEISA-N 313.361 1.779 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N(C1CC1)C1CC1 1875384604 HAHMKTNNCRIDRW-UHFFFAOYSA-N 300.311 1.442 70 50 DDIA CCc1ccc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)[nH]1 218352869 CAWSYNOACJPUTD-UHFFFAOYSA-N 319.449 1.888 70 50 DDIA CC[C@H](NC(=O)c1ccc(N(C)CCO)cc1)c1nc(C)no1 218054254 LLCMHIGJAFUNAY-AWEZNQCLSA-N 318.377 1.688 70 50 DDIA CC(=O)N1CC(Nc2ccc(NC(=O)C(C)C)cc2)=CC1=O 218452228 BPBXGAYHOCQJQL-UHFFFAOYSA-N 301.346 1.966 70 50 DDIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c(OC)c1 218301993 QTMVUEAYTRZJMS-LLVKDONJSA-N 305.334 1.036 70 50 DDIA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)cc(C)o1 218572449 VLHVVCAPFJEWSY-ZDUSSCGKSA-N 306.362 1.421 70 50 DDIA CC(C)(O)CNC(=O)Nc1ccnn1Cc1ccccc1F 160566696 JMOZMVNHOFXNBV-UHFFFAOYSA-N 306.341 1.963 70 50 DDIA O=c1ccccn1CCCCNC1CCC2(CC1)OCCO2 161025522 RNTIKCGIWIDSEB-UHFFFAOYSA-N 306.406 1.904 70 50 DDIA COc1ccccc1CNC1CCN(S(=O)(=O)F)CC1 1875373816 PLBGMGRHFWTRMA-UHFFFAOYSA-N 302.371 1.464 70 50 DDIA COCCNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O 218568974 DORNZUZIJDFDCU-ZDUSSCGKSA-N 308.378 1.020 70 50 DDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1ccc3ccccc31)C2 216998442 FYNBPGGZPSVRNF-CYBMUJFWSA-N 324.384 1.934 70 50 DDIA Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cn1 216779046 LILTXGXIOAMWCI-HIFRSBDPSA-N 316.405 1.283 70 50 DDIA Cc1nn(C)c(C)c1CN(C)c1cc(C2CC(N)C2)nc(N)n1 218229850 KBSZIAONGKGNOV-UHFFFAOYSA-N 315.425 1.250 70 50 DDIA CCc1nc2ccccc2n1CCC(=O)N[C@H]1CCCNC1=O 218254492 HTLFOUXXJISYJU-ZDUSSCGKSA-N 314.389 1.384 70 50 DDIA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)cc(C)n1 218262968 BTKWDTVQCURZIE-CVEARBPZSA-N 321.421 1.164 70 50 DDIA COc1cccc2c(O)c(C(=O)NCCc3c[nH]cn3)cnc12 217619689 WKMCLBYJYPENCE-UHFFFAOYSA-N 312.329 1.645 70 50 DDIA biogenic COC(=O)N[C@@H](C)C(=O)NCc1nc(C2CCCCC2)no1 218578786 CQMBCKXKSIFGQJ-VIFPVBQESA-N 310.354 1.478 70 50 DDIA Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O 217919054 CKWBJJWITMLUFH-GHMZBOCLSA-N 305.783 1.077 70 50 DDIA CC(C)[C@@H](CO)NC(=O)c1n[nH]c2c1COc1ccccc1-2 218192635 RMMQZDAURVHWGV-GFCCVEGCSA-N 301.346 1.716 70 50 DDIA COc1ccccc1N1CC[C@H](NC(=O)C[C@H](C)OC)C1=O 161264020 VFAHSJPALVLWGW-RYUDHWBXSA-N 306.362 1.342 70 50 DDIA COC(C)(C)CNC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382548 FYXDDLFZDLIXKN-UHFFFAOYSA-N 320.342 1.826 70 50 DDIA O=C(CCCn1cncn1)N1CC(c2nc3ccccc3[nH]2)C1 217733683 JSSSVWKKRQYDCS-UHFFFAOYSA-N 310.361 1.561 70 50 DDIA O=C(c1ccc(Cl)s1)N1CCN(Cc2nnc[nH]2)CC1 217841543 PIOFHPLCFBOIDG-UHFFFAOYSA-N 311.798 1.478 70 50 DDIA CCc1nc(C)c(CC(=O)N[C@@H](C)c2c(C)n[nH]c2C)c(=O)[nH]1 217607365 KJQWULGFKCBCEQ-VIFPVBQESA-N 317.393 1.401 70 50 DDIA Cc1cc(C)nc(NCC(=O)Nc2n[nH]c(CC(C)C)n2)n1 218598200 FNAFHXCNZCBQKM-UHFFFAOYSA-N 303.370 1.461 70 50 DDIA CSCC[C@@H](CO)NC(=O)c1cc(-c2cccnc2)[nH]n1 218223728 QUEAEUHBBKOIKA-NSHDSACASA-N 306.391 1.316 70 50 DDIA CCN(CC)CCNC(=O)c1ccc(OS(=O)(=O)F)cc1 1875374144 CGQKNDLVQBHKKZ-UHFFFAOYSA-N 318.370 1.351 70 50 DDIA CC[C@@](C)(O)CN(C)CCNS(=O)(=O)c1ccc(C)cc1 161321646 LGGWZSOMTMXTFD-OAHLLOKOSA-N 314.451 1.366 70 50 DDIA O=c1c(NCc2ccc3c(c2)OCO3)c(NCC2CC2)c1=O 218297343 YRAHWKFZTYEHGW-UHFFFAOYSA-N 300.314 1.445 70 50 DDIA O=C(NCc1noc(Cc2cccs2)n1)[C@H]1CCC[C@H](O)C1 218016999 FNSILUWBIRWYMZ-QWRGUYRKSA-N 321.402 1.889 70 50 DDIA CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)C1 100016407 FXWRRWKJFCPRBG-UHFFFAOYSA-N 317.285 1.987 70 50 DDIA CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncon1 952884520 HWLLPEBLLSLLNO-VIFPVBQESA-N 316.314 1.183 70 50 DDIA COC[C@H]1[C@@H](NC(=O)COc2cccc(C)c2C)[C@@H]2CCO[C@@H]21 218025303 OUXQERLQNCVSGS-USJZOSNVSA-N 319.401 1.848 70 50 DDIA Cc1ccc2[nH]c([C@H](NC(=O)C3(C(N)=O)CC3)C(C)C)nc2c1 217057127 QKTSDWGLRPFUOZ-CYBMUJFWSA-N 314.389 1.950 70 50 DDIA O=C(O)CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1 2325886025 UUURFDJLLBFCCG-UHFFFAOYSA-N 318.326 1.190 70 50 DDIA CC(=O)OC(OC(C)=O)c1ccc(S(=O)(=O)Cl)cc1 59796880 MUXCHHLNVLPPPB-UHFFFAOYSA-N 306.723 1.739 70 50 DDIA Nc1cnn(CC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1 217570229 HYHILBHLGOMRGV-HNNXBMFYSA-N 315.377 1.068 70 50 DDIA CN1CC[C@H](n2cc(-c3ccc(S(=O)(=O)F)cc3)nn2)C1=O 1615572202 SVYRZRNONCWJAB-LBPRGKRZSA-N 324.337 1.007 70 50 DDIA CCn1ncnc1[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C1CC1 218187844 LFCVNGAWXZEGFC-ZDUSSCGKSA-N 311.349 1.450 70 50 DDIA COc1ccc([C@H](N)CC(=O)NCc2ncc[nH]2)cc1OC 218698057 RPQQVGMRKMHEFV-LLVKDONJSA-N 304.350 1.133 70 50 DDIA CC(C)C[C@H]1CN(C(=O)CN(C)Cc2ccncc2)CCO1 218382007 IWSPPGMICNSVIZ-INIZCTEOSA-N 305.422 1.787 70 50 DDIA COc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cn1 218311097 NZIFZMFGCFDBRD-SLBVQIDZSA-N 317.389 1.072 70 50 DDIA COc1ccc2cc(C(=O)N[C@@H]3[C@@H](N)[C@H]4CCO[C@H]43)n(C)c2c1 218462120 UMFZMYYEMQYSOG-MSQAHXEGSA-N 315.373 1.031 70 50 DDIA O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccccn2)[nH]n1 218398678 ZJRSLHFNFRVDPC-MRXNPFEDSA-N 308.341 1.935 70 50 DDIA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1)c1ccnnc1 218614890 PQCZVYVHVDUBNE-YVSFHVDLSA-N 309.369 1.853 70 50 DDIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1 217767387 RKAWZCPBUFVSLF-LBPRGKRZSA-N 303.314 1.670 70 50 DDIA biogenic O=C([C@@H]1Cc2cc(Cl)ccc2N1)N1CC(N2CCOCC2)C1 218485876 KRLUWTHGTODBHB-HNNXBMFYSA-N 321.808 1.220 70 50 DDIA OCc1cc2n(n1)CCCN(CCOCc1ccccc1)C2 217001033 FBCCUMLODWIJGG-UHFFFAOYSA-N 301.390 1.798 70 50 DDIA CC[C@H](C)[C@H](C(=O)N[C@@H](C)CO)N1Cc2ccccc2C1=O 217923913 AMGGOCMQKIFDJI-SLEUVZQESA-N 304.390 1.554 70 50 DDIA biogenic O[C@@H]1CCOC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 217850064 HBTGTHQADVRAGV-RTBURBONSA-N 316.445 1.884 70 50 DDIA COC(=O)C[C@H](CC(C)C)c1c(O)c(C(=O)OC)c[nH]c1=O 218065437 HXTROIBRCKIMJQ-VIFPVBQESA-N 311.334 1.560 70 50 DDIA biogenic COc1ccc(CCNC(=O)[C@H]2CC(=O)OC2(C)C)cc1OC 218054945 FCWSFWYFEZZIBV-GFCCVEGCSA-N 321.373 1.704 70 50 DDIA biogenic C[C@H]1OCC[C@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385473 UFFSJQRCEPNIKE-LDYMZIIASA-N 303.311 1.643 70 50 DDIA Cc1n[nH]c(C)c1CNC(=O)C(C)(C)NC(=O)c1cccs1 217099395 LAVGTBGOXSEBHG-UHFFFAOYSA-N 320.418 1.913 70 50 DDIA COCCN1C[C@H](NC(=O)c2ccc(Cl)c(C)c2)CC1=O 218602452 ZRZQZXALDVEKMA-GFCCVEGCSA-N 310.781 1.626 70 50 DDIA O=C(c1cccc(S(=O)(=O)F)c1)N1CCOCC12CCC2 952885084 XPWBKCHVMPBYTF-UHFFFAOYSA-N 313.350 1.740 70 50 DDIA O=S(=O)(F)c1cccc(CN=c2ccn(CCF)[nH]2)c1 1875369689 AZYLKGAFERSCMN-UHFFFAOYSA-N 301.318 1.545 70 50 DDIA O=C(NCc1noc(Cc2cccs2)n1)[C@H]1CCC[C@@H](O)C1 218061723 FNSILUWBIRWYMZ-WDEREUQCSA-N 321.402 1.889 70 50 DDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccn1 218594246 KTUGADUAXKDHNG-HZPDHXFCSA-N 304.390 1.881 70 50 DDIA CC[C@@H](C)CS(=O)(=O)NC(=O)[C@H]1OCCc2ccccc21 160856041 OOBNLDLNPLKIQZ-RISCZKNCSA-N 311.403 1.793 70 50 DDIA COC[C@@H](NC(=O)c1cccnc1SC)c1ccnn1C 218383308 DFSSDHQNFYZVSE-LLVKDONJSA-N 306.391 1.655 70 50 DDIA CSc1ncc(C(=O)N(C)CC2(CO)CCOCC2)cn1 218382612 SZIIZGIJTZCUMO-UHFFFAOYSA-N 311.407 1.060 70 50 DDIA O=C(NCc1ccc2nonc2c1)c1scc2c1OCCO2 218262641 STWIYMDZDUJRHG-UHFFFAOYSA-N 317.326 1.986 70 50 DDIA COc1nn2cc(Br)cnc2c1S(=O)(=O)F 675066166 IDFBDNWHQNWDIS-UHFFFAOYSA-N 310.104 1.159 70 50 DDIA O=C1COc2cc(S(=O)(=O)F)c(Br)cc2N1 238850874 DDPYTKQUDRQPDE-UHFFFAOYSA-N 310.100 1.438 70 50 DDIA C[C@@H](Cn1cccn1)C(=O)N1CC(Oc2ccccc2F)C1 217483746 QXAGWWLWGRMHJJ-LBPRGKRZSA-N 303.337 1.948 70 50 DDIA COc1cc2c(cc1CN(CCO)Cc1nccs1)OCO2 218630089 RMDYREPDROVBQV-UHFFFAOYSA-N 322.386 1.875 70 50 DDIA Cc1n[nH]c([C@@H]2CCCN(C(=O)Cn3cnc(C)c3C)C2)n1 218621474 OBWOYQMPMJYPCO-CYBMUJFWSA-N 302.382 1.333 70 50 DDIA Cn1ncnc1[C@@H](NC(=O)Cn1cnc2ccccc21)C1CC1 218131093 KTDGFNYCMDDFHR-HNNXBMFYSA-N 310.361 1.432 70 50 DDIA COC(=O)[C@H](C)NC(=O)c1cccc(-n2nc(C)cc2C)c1 217645663 OQRWUYUPOCDLIS-LBPRGKRZSA-N 301.346 1.780 70 50 DDIA biogenic CSCCN1CCN(c2cc(C3CC(N)C3)ncn2)CC1 218546321 DWLBDRDLGQQXSA-UHFFFAOYSA-N 307.467 1.166 70 50 DDIA CCc1nc(CNC(=O)CN(C)Cc2cccnc2)cs1 218122124 CGOKWJXHXSYSQB-UHFFFAOYSA-N 304.419 1.849 70 50 DDIA O=C(C[C@@H]1CCCO1)Nc1ccc(OS(=O)(=O)F)cc1 1875382718 NKBUFJHSBPEBNV-NSHDSACASA-N 303.311 1.787 70 50 DDIA C[C@@H]1C(=O)N(CCS(=O)(=O)F)C(=O)N1c1ccccc1 100836641 ZSBTZTIIYIWKMZ-SECBINFHSA-N 300.311 1.143 70 50 DDIA Cn1cccc1C(=O)C(=O)NCc1ccc(-n2cccn2)cc1 217205463 XCFPZGRVNFAYGG-UHFFFAOYSA-N 308.341 1.710 70 50 DDIA CCc1nc(C)cc(N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)n1 218715698 UJBASZIIWXDAFQ-OLZOCXBDSA-N 322.409 1.022 70 50 DDIA CN(CCc1ncon1)C(=O)C1(N2CCOCC2)CCCCC1 216968386 NYSUNPUDCHAAAZ-UHFFFAOYSA-N 322.409 1.106 70 50 DDIA CC[C@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)[C@H]1C[C@@H](O)C1 218672968 LUISCOYZIAGZMW-SRVKXCTJSA-N 303.362 1.335 70 50 DDIA CNc1cc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)ccn1 217431071 YMQTVDSDDSFQGP-SNVBAGLBSA-N 301.350 1.029 70 50 DDIA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(F)c1O 218699060 AVSCYTWUOPFMJY-CYBMUJFWSA-N 322.380 1.905 70 50 DDIA CSCC[C@H](O)C(=O)N(C)Cc1ccc(-n2cccn2)cc1 217906237 ZSYKSWPJPAQWMQ-HNNXBMFYSA-N 319.430 1.945 70 50 DDIA COC1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1 1875387461 JCFQGOGJWYJAOJ-UHFFFAOYSA-N 303.355 1.891 70 50 DDIA Cc1ccccc1SCC(=O)NC[C@H]1COCCN(C)C1 218649869 IBRNWXAXJCGGLP-CQSZACIVSA-N 308.447 1.782 70 50 DDIA COc1nc(C)c(C(=O)N2CCCn3nc(CO)cc3C2)s1 217671039 JTTZERDBPIANLH-UHFFFAOYSA-N 322.390 1.195 70 50 DDIA CC(C)c1nc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)no1 159580932 MDPQIURRUPDIHF-HNNXBMFYSA-N 315.333 1.555 70 50 DDIA O=C(NCc1cccc(OS(=O)(=O)F)c1)c1ccncc1 1875376049 XAHHYBCECLVPPC-UHFFFAOYSA-N 310.306 1.605 70 50 DDIA CC[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)C1CC(O)C1 218104574 QHJMFEWIXOJKRN-AVVWSFFYSA-N 306.406 1.394 70 50 DDIA O=C(NCC1(Cn2ccnc2)CC1)c1nnc2n1CCCCC2 218203590 YGNXNACTXABOFO-UHFFFAOYSA-N 314.393 1.411 70 50 DDIA O=C1C[C@@H](NC(=O)C2(Cn3ccnc3)CC2)c2ccccc2N1 218185130 UUDDTLQPSPFQLA-CQSZACIVSA-N 310.357 1.863 70 50 DDIA CNc1ncccc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 218471541 RZGFEJDFIWPTGE-TYNCELHUSA-N 312.373 1.760 70 50 DDIA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCCc2ccncc2)n1 217120754 QDEXQGQREBDTND-NSHDSACASA-N 318.402 1.313 70 50 DDIA Cn1ncc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1C#N 490536941 NDYLFSBZUDDLAY-UHFFFAOYSA-N 308.294 1.202 70 50 DDIA O=C(NCCCc1ccc(S(=O)(=O)F)cc1)C(F)(F)F 1776005627 MJUDIUIQLCUUDQ-UHFFFAOYSA-N 313.272 1.956 70 50 DDIA O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC12CCC2 952884434 FFZHEUPDRHOFPM-UHFFFAOYSA-N 302.327 1.068 70 50 DDIA O=C(C[C@@H]1CCCOC1)Nc1cncc(OS(=O)(=O)F)c1 1875387507 LMKISDUHNKILJM-VIFPVBQESA-N 318.326 1.430 70 50 DDIA Cc1nnsc1CNC(=O)c1cc(CC(C)C)[nH]c(=O)n1 218756846 IBCJLSQLOJPOQG-UHFFFAOYSA-N 307.379 1.058 70 50 DDIA Cc1cc(CC(=O)NCc2csc(-c3ncccn3)n2)on1 218329568 PJMJKLRGQKHIRY-UHFFFAOYSA-N 315.358 1.755 70 50 DDIA C[C@@H](Cc1cccnc1)NC(=O)c1cc(-n2cnnn2)ccc1O 217089190 YBWHTQFZZISITR-NSHDSACASA-N 324.344 1.124 70 50 DDIA Cc1nc2ccc(C(=O)N3CCn4nc(CO)cc4C3)cc2o1 217830479 ASCKQNCOMRAQEP-UHFFFAOYSA-N 312.329 1.481 70 50 DDIA O=C1CCc2cc(S(=O)(=O)F)c(Br)cc2N1 675065142 AXXRMVIWUFKSNA-UHFFFAOYSA-N 308.128 1.992 70 50 DDIA COCc1nc(N[C@H](C)c2n[nH]c(C)n2)cc(C2CC(N)C2)n1 218238235 ILDCNHOVOWHQIM-MFAVDMRSSA-N 317.397 1.427 70 50 DDIA CCn1c(C)cc(C(=O)N2CCCn3nc(CO)cc3C2)c1C 217118121 JVOVXDSSQSWOAC-UHFFFAOYSA-N 316.405 1.860 70 50 DDIA COc1ccc([C@@H](O)C(=O)NCCc2scnc2C)cc1 217596197 XQFFNRIJUSOFIL-CQSZACIVSA-N 306.387 1.852 70 50 DDIA COC[C@H]1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 218710788 ZIBHKDAEBGNHFL-ZDUSSCGKSA-N 311.403 1.128 70 50 DDIA Cn1cc([C@@H](NC(=O)CN2CCCCCC2)C2CC(O)C2)cn1 218107394 FAOFOFMDNKINMR-PGEKIEPBSA-N 320.437 1.224 70 50 DDIA CC[C@@H](Cn1ccnc1)NC(=O)c1n[nH]c(=O)c2ccccc12 217980827 PYMVMGUHQJMTKQ-NSHDSACASA-N 311.345 1.328 70 50 DDIA COC(=O)c1ccccc1Nc1c(NCC2CC2)c(=O)c1=O 218411870 KBEUFNBHQMDEIH-UHFFFAOYSA-N 300.314 1.635 70 50 DDIA O=C(c1ccc2scnc2c1)N1CCn2nc(CO)cc2C1 217071659 KGMBFWBXMLEVLJ-UHFFFAOYSA-N 314.370 1.641 70 50 DDIA CCc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)csc1C 218522152 LUSJUNWNDCCKBB-FAAHXZRKSA-N 322.430 1.641 70 50 DDIA COCCN(CCOC)C(=O)c1cccc(S(=O)(=O)F)c1 952884954 VKMCSRFTJGXYLO-UHFFFAOYSA-N 319.354 1.080 70 50 DDIA Cc1nc(CC(=O)N2CCCn3nc(CO)cc3C2)cs1 217080201 AWEQQUMCCYAIRQ-UHFFFAOYSA-N 306.391 1.115 70 50 DDIA Cc1cc(C(=O)N2CCC[C@]3(CCCN(C)C3)C2)cc(=O)[nH]1 217543838 ZLVXMSPYPLITLU-KRWDZBQOSA-N 303.406 1.631 70 50 DDIA CN(C)[C@H](C(=O)NCC1(C)COC1)c1ccc2c(c1)OCO2 217472496 OFCAOMRMZHYIEC-AWEZNQCLSA-N 306.362 1.171 70 50 DDIA O=C(Cc1cccnc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 218185021 VTWBSWONPLQPKA-BZZMCLGOSA-N 315.417 1.382 70 50 DDIA CN(C)C(=O)NCCNCc1ccccc1OC(F)(F)F 160752147 GUGWBBVTBNVGBT-UHFFFAOYSA-N 305.300 1.946 70 50 DDIA CNC(=O)Cc1ccc(C[C@@H]2CC(=O)N(CCOC)C2)cc1 218539895 QHMXCGPJAKCWIP-OAHLLOKOSA-N 304.390 1.013 70 50 DDIA CNc1ncccc1C(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 218434154 JMWIQFMFYYUNBN-MMWSSPAHSA-N 315.377 1.099 70 50 DDIA CC(=O)N1CCOC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 161447224 QWDBRKQMMRSRNJ-MRXNPFEDSA-N 315.373 1.074 70 50 DDIA COC(C)(C)C[C@@H](C)NC(=O)c1nnn(C2CCNCC2)c1C 160964895 HEJQXVWCTLDFPU-LLVKDONJSA-N 323.441 1.444 70 50 DDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1ccc3ccccc31)C2 216998456 FYNBPGGZPSVRNF-ZDUSSCGKSA-N 324.384 1.934 70 50 DDIA COc1ccc(C(=O)NCc2cnc3cnccn23)c(OC)n1 217028564 PVHZJECLNMESNJ-UHFFFAOYSA-N 313.317 1.072 70 50 DDIA O=C(CN1CCOC1=O)N(Cc1ccncc1)C[C@@H]1CCCO1 218023579 PFHJFWSYXBLEOM-AWEZNQCLSA-N 319.361 1.041 70 50 DDIA CC[C@]1(O)CCN(C(=O)CCCOCc2ccccc2)C[C@@H]1O 216664067 AHWTXCPPBKXXPS-WMZOPIPTSA-N 321.417 1.718 70 50 DDIA O=C(CCn1cnc2ccccc2c1=O)NCCc1ccncc1 218319419 XJZFZFABWQLZGD-UHFFFAOYSA-N 322.368 1.541 70 50 DDIA COCCNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O 218569060 DORNZUZIJDFDCU-CYBMUJFWSA-N 308.378 1.020 70 50 DDIA CN(C)c1ccc(CC(=O)N2CCC(c3nnc[nH]3)CC2)cc1 217088603 JDARTSFEBHOBIR-UHFFFAOYSA-N 313.405 1.819 70 50 DDIA CCC[C@@H](NC(C)=O)C(=O)NCc1ccc2nc(C)[nH]c2c1 218504091 YPLPVRLKFXZOPN-CQSZACIVSA-N 302.378 1.792 70 50 DDIA O=C(OCc1ccccc1)N1CC[C@H](CS(=O)(=O)F)C1 238855959 UINGZMLLNIJBMC-LBPRGKRZSA-N 301.339 1.944 70 50 DDIA CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2ncn[nH]2)c1 160034153 SAYWKZUAMPZYLB-CYBMUJFWSA-N 313.361 1.212 70 50 DDIA O=C(COc1ccc2nncn2n1)N1CCC[C@H]1c1ccccn1 217640811 AFHAIZYLBHFUEB-ZDUSSCGKSA-N 324.344 1.262 70 50 DDIA Cc1cc(C)n(CC(=O)N[C@H]2CCc3ccccc3C2)c(=O)n1 218693936 KQSKCUQJLHXEQY-INIZCTEOSA-N 311.385 1.534 70 50 DDIA Cc1cccc([C@@H](NC(=O)[C@H](C)NC(N)=O)c2ccccn2)c1 160157412 DDLVDXQDFWUZPK-SWLSCSKDSA-N 312.373 1.652 70 50 DDIA Cc1oncc1C(=O)N1CCC([C@@H](O)c2ccccn2)CC1 218078675 JRVSBWDNSHYDMM-OAHLLOKOSA-N 301.346 1.964 70 50 DDIA Cc1nnnn1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 218291310 NRRFIZGMBOKBIO-UHFFFAOYSA-N 310.361 1.438 70 50 DDIA CCn1cnc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)n1 1875383879 BRUNEFIGPLVYED-UHFFFAOYSA-N 314.298 1.143 70 50 DDIA COc1ccc(-c2ccc(O)nn2)cc1S(=O)(=O)Cl 1848442387 UYRHGLGPUQSFHA-UHFFFAOYSA-N 300.723 1.785 70 50 DDIA C/C(=C\c1ccco1)CN1CCCn2nc([C@@H](O)CO)cc2C1 217606334 LQEJTPSYAAHVJF-YJJOXIQCSA-N 317.389 1.811 70 50 DDIA Cc1nc2ccccn2c1CN1CCN(C2CCOCC2)CC1 160938649 HNOBTXIRQJYZRY-UHFFFAOYSA-N 314.433 1.939 70 50 DDIA O=C(CCc1nc2ccccc2[nH]1)NCc1cnc2cnccn12 217161478 RDSSMHXHGOTVNZ-UHFFFAOYSA-N 320.356 1.855 70 50 DDIA CCc1nccn1CCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 216999388 BGVFLJKUZGIHHP-GFCCVEGCSA-N 302.382 1.360 70 50 DDIA COc1ccc([C@H](O)C(=O)NCCc2c(C)n[nH]c2C)cc1 216972066 QAIGKVDWCNNARP-HNNXBMFYSA-N 303.362 1.427 70 50 DDIA C[C@@H](NCc1ccc(OS(=O)(=O)F)cc1)c1cnn(C)c1 1875385188 NYEJUWFEQWRIQC-SNVBAGLBSA-N 313.354 1.864 70 50 DDIA COC(=O)Cc1cc(=O)oc2cc(OS(=O)(=O)F)ccc12 1875368276 FWKPARLZUMEPJT-UHFFFAOYSA-N 316.262 1.102 70 50 DDIA Cc1ccc2[nH]c([C@@H](C)NC(=O)c3cnc(C)[nH]c3=O)nc2c1 216957943 BFOOAAMOKRXUNV-SECBINFHSA-N 311.345 1.754 70 50 DDIA O=S(=O)(CCl)N1C/C(=C/c2ccccc2)CS1(=O)=O 34466943 XLYGDNREGADUBX-WDZFZDKYSA-N 321.807 1.242 70 50 DDIA CCc1nc(C)c(CC(=O)N[C@H](C)c2c(C)n[nH]c2C)c(=O)[nH]1 217607465 KJQWULGFKCBCEQ-SECBINFHSA-N 317.393 1.401 70 50 DDIA C[C@H]1CC(F)(F)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384926 KAZKBFLBSYSBGU-ZETCQYMHSA-N 324.280 1.544 70 50 DDIA C[C@H](C#N)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C1CC1 1875321575 NJIUMQCYABTCIY-MRVPVSSYSA-N 313.310 1.191 70 50 DDIA O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CC1(Cl)Cl 159472232 XGOCSXIDXOGGGM-LURJTMIESA-N 300.188 1.747 70 50 DDIA Cc1cc(=O)cc(C(=O)N2CCC(N(C)CCN(C)C)CC2)o1 217634337 ZYIXTONGWDDKBN-UHFFFAOYSA-N 321.421 1.046 70 50 DDIA Cn1cnnc1SCCNC(=O)[C@H]1CCc2ccccc2C1 217952570 ZGDAESSSWKPXIJ-AWEZNQCLSA-N 316.430 1.829 70 50 DDIA COc1ccc(C(=O)N[C@@H](C)CO)cc1-n1nc(C)cc1C 218154768 MFXACPSIDZXZTP-NSHDSACASA-N 303.362 1.608 70 50 DDIA Cc1ccnc(SCC(=O)NCc2n[nH]c3c2CCC3)n1 218107944 AEYRPCVKBBMMEV-UHFFFAOYSA-N 303.391 1.405 70 50 DDIA C[C@H](Cn1cncn1)C(=O)NCc1ccc(-n2cccn2)cc1 218210931 CCAZFJLYTZKYMX-CYBMUJFWSA-N 310.361 1.416 70 50 DDIA CCc1ccccc1-n1cc(O)c(C(=O)N2CCC(O)CC2)n1 159926454 VCCBIKRHUUATBD-UHFFFAOYSA-N 315.373 1.737 70 50 DDIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nonc1C)C2 217356753 BYQRVWAOQZCBEX-LBPRGKRZSA-N 305.338 1.064 70 50 DDIA C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@]1(C)CO 1875387722 UQYQFQDOAXNKEK-SMDDNHRTSA-N 317.382 1.730 70 50 DDIA Cc1nc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccc(F)cc23)n[nH]1 217480304 VFFJHPLMYRWBBS-ZETCQYMHSA-N 315.308 1.585 70 50 DDIA CC(=O)c1c(C)nn(CC(=O)NCCCc2cccnc2)c1C 218146363 ITESAFYMMIZWLD-UHFFFAOYSA-N 314.389 1.847 70 50 DDIA CNC(=O)CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161094730 ALTTWTQLWMZZNK-CHWSQXEVSA-N 316.323 1.949 70 50 DDIA COc1cc(F)c(CN2CCN3CCN(C)C[C@@H]3C2)c(F)c1 217030850 CMEAJDSYRMEESW-GFCCVEGCSA-N 311.376 1.405 70 50 DDIA Cc1ccnn1CCC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 218462421 DNUYBPQIOBTDTD-CABCVRRESA-N 307.394 1.282 70 50 DDIA Cc1c([C@H](C)NC(=O)c2cc(CC(C)C)nc(N)n2)cnn1C 217669275 FBKYCOYPRMZZKE-JTQLQIEISA-N 316.409 1.790 70 50 DDIA Cc1nc2s/c(=C\c3cccc(OC(F)F)c3)c(=O)n2n1 218599286 SPIPWASNEGTCPI-POHAHGRESA-N 309.297 1.609 70 50 DDIA CN(C[C@H]1COCCO1)C(=O)CCCC(=O)c1ccccc1 216955280 GJMKWFWPSRIFLG-HNNXBMFYSA-N 305.374 1.913 70 50 DDIA O=S1(=O)CC[C@@H](c2nn3c(-c4cccnc4)nnc3s2)C1 218359795 XOJXERWVHLZCGF-SECBINFHSA-N 321.387 1.150 70 50 DDIA COC[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(C)c2C)[C@@H]2CCO[C@@H]21 218774937 PYRFDKGTMBJLHM-VZAMPYOESA-N 307.394 1.125 70 50 DDIA Cc1ccccc1CSCC(=O)N1CCC[C@@](O)(CO)CC1 218353514 ITWOVZWXDAFZDH-KRWDZBQOSA-N 323.458 1.964 70 50 DDIA CNc1ncccc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 218471652 RZGFEJDFIWPTGE-ZOWXZIJZSA-N 312.373 1.760 70 50 DDIA CNC[C@H]1CCCN1C(=O)C1=Cc2ccc(OC)cc2OC1 161339701 XGHGIKKTRFNKPV-CQSZACIVSA-N 302.374 1.681 70 50 DDIA COc1ccccc1N1CC[C@@H](NC(=O)CN2CCCC2=O)C1 161186117 OOYQGEWSWCLEIP-CYBMUJFWSA-N 317.389 1.013 70 50 DDIA Nc1nc(CCCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1 217816827 YGFZUCAJWWYWOH-UHFFFAOYSA-N 312.782 1.430 70 50 DDIA C/C(=C\c1ccco1)CN1CCn2nc([C@H](O)CO)cc2C1 217048500 OJQSRAQGRZUFOX-NYUWMOHMSA-N 303.362 1.421 70 50 DDIA Cc1cc(C)nc(NCC(=O)NCc2nc3ccccc3n2C)n1 218504962 COKAIPNDTKHSPB-UHFFFAOYSA-N 324.388 1.708 70 50 DDIA Cc1ccccc1[C@@H](C(=O)NCc1cnc2cnccn12)N(C)C 217082527 UXTCDLXBKFFOGT-KRWDZBQOSA-N 323.400 1.957 70 50 DDIA Cn1nccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 161178067 GXSUIQDSUQPXGJ-INIZCTEOSA-N 312.329 1.150 70 50 DDIA Cc1cc(O)cc(=O)n1CCC(=O)Nc1nc2c(s1)CCC2 218144814 QESGIIVFRAXARX-UHFFFAOYSA-N 319.386 1.836 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1C[C@@H](F)C[C@@H](F)C1 1875384615 HFUSFYPNHBVQFD-DTORHVGOSA-N 324.280 1.197 70 50 DDIA N[C@H]1CC[C@@H](C(=O)NCCc2nc(-c3ccccc3)no2)C1 216962387 OXTOQFBGXBBQTM-OLZOCXBDSA-N 300.362 1.523 70 50 DDIA C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385471 UFFSJQRCEPNIKE-KCJUWKMLSA-N 303.311 1.643 70 50 DDIA CCCNC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 218474013 ZVPOTKHDFLSAOE-HUUCEWRRSA-N 308.378 1.424 70 50 DDIA O=C(C(=O)N1CCN(C2CCCCC2)C(=O)C1)c1cccnc1 217023191 UWVRWEGNSXVPGR-UHFFFAOYSA-N 315.373 1.268 70 50 DDIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1O 217849282 LZQWNJXGWIJZJL-SNVBAGLBSA-N 319.313 1.375 70 50 DDIA biogenic Cc1c([C@@H](C)NC(=O)c2cc(CC(C)C)nc(N)n2)cnn1C 217669203 FBKYCOYPRMZZKE-SNVBAGLBSA-N 316.409 1.790 70 50 DDIA CC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(c2ncccn2)CC1 218396238 OOAZCTUZQFKOPI-TZMCWYRMSA-N 306.410 1.216 70 50 DDIA O=S(=O)(F)N1CCN(Cc2ncoc2C(F)(F)F)CC1 1875374009 XJMZHUCZCWOSAQ-UHFFFAOYSA-N 317.264 1.025 70 50 DDIA O=C1CCC[C@H](C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1 1875385624 XOUOYXHBQMWHRJ-VIFPVBQESA-N 315.322 1.978 70 50 DDIA CNC[C@@H]1CCCN1C(=O)CCOc1ccc(C)cc1OC 161168016 APQCSPWIPAVUMP-AWEZNQCLSA-N 306.406 1.983 70 50 DDIA COCCN1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)CC1=O 218602373 ZRZQZXALDVEKMA-LBPRGKRZSA-N 310.781 1.626 70 50 DDIA O=C(NO[C@H]1CCCN(CC(F)(F)F)C1=O)C1CCCC1 160846796 KOOZIYUIWISGJM-JTQLQIEISA-N 308.300 1.778 70 50 DDIA CSc1ncccc1C(=O)NCCc1cc(O)nc(C)n1 218169352 PUXYCXKJPVDWMF-UHFFFAOYSA-N 304.375 1.580 70 50 DDIA CCc1nccn1CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1COC 218742966 VNRKZQMMEPVPBM-OJDYBEQGSA-N 307.394 1.002 70 50 DDIA C[C@@H](NC(=O)c1cncc(OS(=O)(=O)F)c1)C(F)(F)F 1875385457 TYPKEKZYVUGJMN-RXMQYKEDSA-N 316.232 1.355 70 50 DDIA Cn1cnnc1SCCNC(=O)[C@@H]1CCc2ccccc2C1 217952476 ZGDAESSSWKPXIJ-CQSZACIVSA-N 316.430 1.829 70 50 DDIA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1O 217853293 JBNBUFXSYYJTDD-JTQLQIEISA-N 319.313 1.375 70 50 DDIA biogenic CCOc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@@H](O)C1 218213332 AQZHQDVNEPGFJJ-GOEBONIOSA-N 321.417 1.957 70 50 DDIA COc1ccccc1-n1cc(CNC(=O)c2cc(N)[nH]n2)cn1 217739158 ZQFAPTPDZOOOFD-UHFFFAOYSA-N 312.333 1.116 70 50 DDIA C[C@@H](c1ccncn1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12 217606092 SAPRETAIBORMNE-JTQLQIEISA-N 309.329 1.546 70 50 DDIA CSc1ncc(C(=O)N[C@@H](c2nccn2C)C2CC2)cn1 218269422 IMLFQMDLYFWASV-LLVKDONJSA-N 303.391 1.813 70 50 DDIA Cc1cc(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)on1 218604629 OPQKTSFRKHIGSF-AWEZNQCLSA-N 307.394 1.285 70 50 DDIA COCCn1c(C)cc(C)c(C(=O)NCc2ccco2)c1=O 218474332 MVLOVGJXOQDFHM-UHFFFAOYSA-N 304.346 1.635 70 50 DDIA CC[C@@H](C)[C@@H](CO)NC(=O)COc1ccc2c(c1)NC(=O)CC2 218363728 MHQMUJJYHCXDTN-IAQYHMDHSA-N 320.389 1.473 70 50 DDIA CCOC(OCC)[SiH2]CC[Si](OCC)(OCC)OCC 199869414 NOMOPRKYOOSZKV-UHFFFAOYSA-N 324.566 1.979 70 50 DDIA O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1C[C@@H](O)CN1 217848364 SGMWQZDJGKEECU-YUSALJHKSA-N 312.822 1.716 70 50 DDIA CC(C)(C)N1C[C@@H](CNC(=O)C(=O)c2ccccc2)CC1=O 217616647 FASDXGUYFNCWRZ-GFCCVEGCSA-N 302.374 1.633 70 50 DDIA Cc1ccccc1O[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)C(C)C 217139327 TZTSPPQATGAOFH-ZDUSSCGKSA-N 304.350 1.126 70 50 DDIA O=C(Cc1ccc(S(=O)(=O)F)cc1)Nc1nccs1 685944815 AKOTUOGHUNDNJO-UHFFFAOYSA-N 300.336 1.983 70 50 DDIA Cc1cnccc1N1CCN(C(=O)c2ccn(C(F)F)n2)CC1 218445755 BTSGNFXTIWKYHC-UHFFFAOYSA-N 321.331 1.944 70 50 DDIA COC(=O)N[C@@H](C)C(=O)NCc1ccc2c(c1)OCCCO2 218225870 GLGKIRYWWGPAHV-JTQLQIEISA-N 308.334 1.209 70 50 DDIA COC(=O)N[C@H](C)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 218150344 QMIGMFODWFRRIC-SECBINFHSA-N 302.334 1.233 70 50 DDIA Cc1[nH]c2c(c1C(=O)NC1CCS(=O)(=O)CC1)C(=O)CCC2 218721375 PRBXVWBDQYSAAA-UHFFFAOYSA-N 324.402 1.149 70 50 DDIA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)nc(=O)[nH]1 217004019 QBTOKJXHFYQVCB-ZDUSSCGKSA-N 307.394 1.610 70 50 DDIA CN1CCCC[C@@H]1CNC(=O)c1ccc(SCCO)cc1 217880244 WMYZXGARUGDLJY-CQSZACIVSA-N 308.447 1.985 70 50 DDIA CC(C)(C)OC(=O)N1CCC(C#N)(CS(=O)(=O)F)CC1 1772716499 XLAKFLFQNCBJBO-UHFFFAOYSA-N 306.359 1.827 70 50 DDIA O[C@H]1CN(Cc2ccoc2)CCN(Cc2cc(C3CC3)n[nH]2)C1 216928689 KAIDTADMSUNMCG-INIZCTEOSA-N 316.405 1.559 70 50 DDIA O=C(CN1CCOCC1)N1CCOc2ccc(Cl)cc2C1 217191790 KASWYBMJDFDEHF-UHFFFAOYSA-N 310.781 1.393 70 50 DDIA CCCn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c(C)n1 218479306 HPOZJCROCXBBKH-FAAHXZRKSA-N 306.410 1.049 70 50 DDIA CCCNC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217179499 NEGQZERPNFHMEU-INIZCTEOSA-N 314.389 1.900 70 50 DDIA CSc1ncccc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 217417729 WEMZQQPJXBFJJU-AWEZNQCLSA-N 307.375 1.470 70 50 DDIA Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@H](CO)C(C)C 218263598 ZQKQRKDONUTJFA-OAHLLOKOSA-N 316.405 1.560 70 50 DDIA NC1CC(c2cc(NCCc3noc(C4CC4)n3)ncn2)C1 218378553 KEADXIRZHVKNJQ-UHFFFAOYSA-N 300.366 1.596 70 50 DDIA Cc1n[nH]c([C@H]2CCCN2C(=O)c2scc3c2OCCO3)n1 216910241 QWJUGZDPOIBQOP-SECBINFHSA-N 320.374 1.923 70 50 DDIA C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](N)C1 160274802 VZRLWMPZZPNVHR-VHSXEESVSA-N 313.195 1.776 70 50 DDIA O=C(CCC(F)(F)F)NCc1nc(-c2cnccn2)n[nH]1 217939596 WIOMJSRMSYCJHO-UHFFFAOYSA-N 300.244 1.220 70 50 DDIA CCCCn1ncc(NC(=O)N2CCS(=O)(=O)CC2)c1C 160046416 NRVBIMDCVPOSKY-UHFFFAOYSA-N 314.411 1.254 70 50 DDIA O=C(NCc1ccccc1S(=O)(=O)Cl)C(F)(F)F 601014322 DQDQRYQLBLVECE-UHFFFAOYSA-N 301.673 1.793 70 50 DDIA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nnc(C)o1)C2 216775583 PVOQSRVHEZFUDO-KGLIPLIRSA-N 304.394 1.767 70 50 DDIA CSCC[C@@H](CO)NC(=O)c1c[nH]c(=O)c2ccccc12 217870227 JCSRYOXKUZKFMW-JTQLQIEISA-N 306.387 1.372 70 50 DDIA biogenic CN(Cc1nccs1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 217724782 SUNHMABKCPBYKU-UHFFFAOYSA-N 314.370 1.894 70 50 DDIA CCOCCOc1ccccc1C(=O)NC[C@H]1COCCO1 217066343 OHSRRTLTJHAVBL-ZDUSSCGKSA-N 309.362 1.247 70 50 DDIA Cc1c[nH]c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1 218764119 DKLUAGUOGUNVEG-UHFFFAOYSA-N 312.373 1.245 70 50 DDIA O=C(Cc1cccnc1)NC1CCN(C2CCOCC2)CC1 218176876 RZIWENKJVJXLLR-UHFFFAOYSA-N 303.406 1.384 70 50 DDIA CN(C[C@@H]1COCCO1)C(=O)CCCC(=O)c1ccccc1 216955266 GJMKWFWPSRIFLG-OAHLLOKOSA-N 305.374 1.913 70 50 DDIA O=C(Cc1cnccn1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 218612472 FJKXPIGLIRFLKV-CYBMUJFWSA-N 314.320 1.080 70 50 DDIA C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385472 UFFSJQRCEPNIKE-KWQFWETISA-N 303.311 1.643 70 50 DDIA COc1ccc(CC(=O)N[C@H](C)Cc2cnccn2)cc1OC 218275582 UYIRHABCKWISRD-GFCCVEGCSA-N 315.373 1.784 70 50 DDIA O=C(c1ccccn1)N1CCC(N[C@@H]2C[C@@H]3OCC[C@@H]32)CC1 217470387 OXIAIBLFQBCLNS-BMFZPTHFSA-N 301.390 1.453 70 50 DDIA CSCc1noc(CNC(=O)c2ncc(F)cc2F)n1 218011131 VYPNQKWWURNKFP-UHFFFAOYSA-N 300.290 1.536 70 50 DDIA CO[C@@H]1COCC[C@H]1NC(=O)CN(C)Cc1ccccc1F 218291408 UWQVVUNVKDSRKR-HUUCEWRRSA-N 310.369 1.178 70 50 DDIA Cc1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)on1 1875385178 NUJLIYKWKWRYMQ-UHFFFAOYSA-N 300.267 1.828 70 50 DDIA C[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C 160290183 YXHLTBQWWUKOEP-OLZOCXBDSA-N 304.394 1.499 70 50 DDIA Cc1cc(C)nc(NCC(=O)NCCc2nc3ccccc3[nH]2)n1 218423717 PCVRACZGIBMPMI-UHFFFAOYSA-N 324.388 1.741 70 50 DDIA C/C(=C\c1ccco1)CN1CCn2nc([C@@H](O)CO)cc2C1 217048465 OJQSRAQGRZUFOX-MZTACXPWSA-N 303.362 1.421 70 50 DDIA COCCN(C)CC(=O)N[C@H](C)c1nc2cc(C)ccc2[nH]1 217744452 KCAKSYCTANVFKC-GFCCVEGCSA-N 304.394 1.627 70 50 DDIA CCNC(=O)[C@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 218174262 WMKZHQPLFQMKJZ-JTQLQIEISA-N 312.316 1.886 70 50 DDIA COCc1cc(CNC(=O)C2(N3CCCC3)CCCC2)n[nH]1 218141842 JGICBVGKPJTJDU-UHFFFAOYSA-N 306.410 1.581 70 50 DDIA CSCc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)o1 216937564 MKGURQLEZVXJPV-CQSZACIVSA-N 310.375 1.857 70 50 DDIA O=C(N1CCNCC1)C1(c2ccccc2Cl)CCOCC1 159408344 SZOGZBKGHQCRDM-UHFFFAOYSA-N 308.809 1.820 70 50 DDIA COc1ccc(CC(=O)N[C@@H](C)Cc2cnccn2)cc1OC 218275522 UYIRHABCKWISRD-LBPRGKRZSA-N 315.373 1.784 70 50 DDIA CN1CCC[C@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 216931051 SOKQAPAHEQJJFX-LBPRGKRZSA-N 320.437 1.481 70 50 DDIA COC[C@H](NC(=O)c1cccnc1SC)c1ccnn1C 218383392 DFSSDHQNFYZVSE-NSHDSACASA-N 306.391 1.655 70 50 DDIA CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 218262888 SPRNRTQZRMBKGI-STQMWFEESA-N 322.430 1.270 70 50 DDIA O=C(COC[C@H]1CCCCO1)N1CCC(c2cc[nH]n2)CC1 216959619 DJUUVNVJLVXONY-CQSZACIVSA-N 307.394 1.701 70 50 DDIA C[C@@H](C#N)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C1CC1 1875321576 NJIUMQCYABTCIY-QMMMGPOBSA-N 313.310 1.191 70 50 DDIA Cc1nc(N)sc1C(=O)N1CCCC[C@H]1CN1CCOCC1 217182343 XBIJGAXFPGZCIB-LBPRGKRZSA-N 324.450 1.361 70 50 DDIA Cc1nonc1CC(=O)N[C@@H](C)c1nc(-c2ccccn2)no1 217691793 MDJAKCRXGVDPSH-VIFPVBQESA-N 314.305 1.243 70 50 DDIA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCNCC1 160830012 JLHDGCBPVBYJKQ-UHFFFAOYSA-N 305.407 1.288 70 50 DDIA C[C@H](c1ccncn1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12 217606190 SAPRETAIBORMNE-SNVBAGLBSA-N 309.329 1.546 70 50 DDIA CSCc1ccc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)o1 217849239 TYKDWSPYESMYAH-AWEZNQCLSA-N 310.375 1.809 70 50 DDIA CSc1ccc(CC(=O)NC[C@H]2CN(C)CCN2C)cc1 217109036 KEJYTXFKNODXFJ-AWEZNQCLSA-N 307.463 1.313 70 50 DDIA Cn1cc([C@@H](NC(=O)Cc2ccc(O)cc2)C2CC(O)C2)cn1 218326013 SKXQVRODSKKLBC-QOJXUVEWSA-N 315.373 1.297 70 50 DDIA Cc1ccc(CN(C(=O)CN2CCC3(C2)OCCO3)C2CC2)o1 160689578 XEFJJYZZBJXCOX-UHFFFAOYSA-N 320.389 1.528 70 50 DDIA CC1(C)OC(=O)C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 218546451 PFNLSSFOWOBLHH-AWEZNQCLSA-N 302.374 1.677 70 50 DDIA O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CSCN1 159679718 GSDSZJBDPUPQBZ-GHMZBOCLSA-N 321.229 1.806 70 50 DDIA C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1n[nH]c(=O)[nH]1 217174128 HYYHYWCMXWTWOI-SNVBAGLBSA-N 313.361 1.779 70 50 DDIA CCCc1cc(C(=O)N2CCCn3nc(CO)cc3C2)[nH]n1 217195256 SCZOLHHJFXEDEF-UHFFFAOYSA-N 303.366 1.097 70 50 DDIA O=C(N[C@@H]1C=CCCC1)c1cncc(OS(=O)(=O)F)c1 1875384992 KROKXGPEJMICMT-SNVBAGLBSA-N 300.311 1.513 70 50 DDIA CN1CCCN(c2cc(C3CC(N)C3)nc(C3CC3)n2)CC1 218576575 RQSGLVAGDFDLEU-UHFFFAOYSA-N 301.438 1.701 70 50 DDIA CNc1nc(C(=O)NCCc2noc(C(F)(F)F)n2)cs1 217585264 DGBYRFCGESBIKD-UHFFFAOYSA-N 321.284 1.559 70 50 DDIA CC(C)(C)OC(=O)N1CCC[C@](C#N)(CS(=O)(=O)F)C1 1775955819 ZMRDDUCHMMNXED-GFCCVEGCSA-N 306.359 1.827 70 50 DDIA COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 217650421 MCRCTTSYWIYMIR-OEUWWYETSA-N 317.316 1.281 70 50 DDIA CC1=C(C(=O)N[C@H](c2nccn2C)C(C)C)SC2=NCCN21 218629781 LRLRHZSWEGYQRH-NSHDSACASA-N 319.434 1.883 70 50 DDIA O=C(NCCc1cnccn1)[C@@H]1CCCN1Cc1ccccc1 218765021 DWXDESUVCACSHD-KRWDZBQOSA-N 310.401 1.800 70 50 DDIA O=C(CCCc1cn[nH]c1)N[C@H]1CCOC[C@H]1C1CCOCC1 218738799 SFFRLJVHSWEFAB-HOTGVXAUSA-N 321.421 1.680 70 50 DDIA COc1ccc(CNc2c(N3CCSCC3)c(=O)c2=O)cc1 218249059 GOKOMWNCEIWIAE-UHFFFAOYSA-N 318.398 1.457 70 50 DDIA CC(C)c1noc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1 218685156 OPHFIFGNZIORND-UHFFFAOYSA-N 317.397 1.425 70 50 DDIA COc1c(C)cnc(CN2CCCn3nc(CO)cc3C2)c1C 217918925 JIPSDVYARFUFQK-UHFFFAOYSA-N 316.405 1.802 70 50 DDIA O=C(Cc1cccnc1)N[C@H]1CCOC[C@H]1C1CCOCC1 218582283 PHEFFINQLFXSAS-HOTGVXAUSA-N 304.390 1.572 70 50 DDIA Cc1ncn(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C 218766191 XUGDJFZJMNOEAZ-CABCVRRESA-N 307.394 1.200 70 50 DDIA COc1cccc(C(=O)NCCC(=O)N(C)Cc2ccon2)c1 217171723 GABMGXOGQPVSDI-UHFFFAOYSA-N 317.345 1.462 70 50 DDIA C[C@H](c1ccccn1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1 160122301 MBXFXHSUCUAKEM-LLVKDONJSA-N 319.796 1.702 70 50 DDIA COc1cccc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 159369865 YKSDEAIWTKGCHH-QGZVFWFLSA-N 317.433 1.609 70 50 DDIA O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@H]1c1ccncc1 160219495 SWZSSZPJDIXKMZ-KBPBESRZSA-N 323.418 1.505 70 50 DDIA O=C(CCC1CCCC1)CN1C(=O)NC2(CCOCC2)C1=O 160389325 DGZSXCQZTFYHMU-UHFFFAOYSA-N 308.378 1.627 70 50 DDIA CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1=O 160568094 QYIORIMJYAAPRE-CYBMUJFWSA-N 321.352 1.157 70 50 DDIA O=C(CCN1CCCCCC1=O)NCc1nnc2n1CCCC2 218540449 SZGYGEFKRHWFIJ-UHFFFAOYSA-N 319.409 1.023 70 50 DDIA COc1ccccc1N1CC[C@H](NC(=O)C[C@@H](C)OC)C1=O 161264174 VFAHSJPALVLWGW-NEPJUHHUSA-N 306.362 1.342 70 50 DDIA C[C@@H](NC(=O)CCn1cncn1)c1ccccc1-n1cccn1 159773974 DRTFMQFGBNLWAG-CYBMUJFWSA-N 310.361 1.731 70 50 DDIA Cn1cc([C@H](NC(=O)CN2CCCCCC2)C2CC(O)C2)cn1 218107477 FAOFOFMDNKINMR-PUJMQQBBSA-N 320.437 1.224 70 50 DDIA O=C(CCc1ccccc1Cl)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217100921 NVIHKDIIIUBYTP-UPUJQMMVSA-N 323.820 1.863 70 50 DDIA O=C(c1ccc(F)cc1F)N1CCCN(S(=O)(=O)F)CC1 1875368352 KYXUXRZFUNDWGX-UHFFFAOYSA-N 322.308 1.327 70 50 DDIA c1ccc(CNc2ncc(CN3CC[C@@H]4CNC[C@@H]43)cn2)cc1 216976344 RKYVLLALTGUJSI-SJORKVTESA-N 309.417 1.882 70 50 DDIA CC(C)Cc1cc(C(=O)N[C@H](CO)Cc2ccccc2)n(C)n1 218314972 DSGFPOSUCJNWOI-INIZCTEOSA-N 315.417 1.952 70 50 DDIA COc1ccc(CCNC(=O)CNc2nc(C)cc(C)n2)cc1 218127640 QXWVNYAJNQFQKS-UHFFFAOYSA-N 314.389 1.873 70 50 DDIA CSCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 160843457 QJOGBUHKEGBQFR-HUUCEWRRSA-N 308.447 1.975 70 50 DDIA O=C(Cc1cccc(Cl)c1)NC[C@H](O)CN1CCCCC1 160364809 UVJVIXJLCWNGDN-HNNXBMFYSA-N 310.825 1.846 70 50 DDIA CC(=O)c1cc(CN2CCC[C@@]3(CC2)CNC(=O)O3)n(C)c1 217518874 OXAZDENLMFTMCL-MRXNPFEDSA-N 305.378 1.692 70 50 DDIA COC(=O)CCNC(=O)c1cn(C(C)C)c(=O)c2ccccc12 218128275 BWFVQVHPEPMMTH-UHFFFAOYSA-N 316.357 1.875 70 50 DDIA O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1C[C@@H](O)CN1 217848322 SGMWQZDJGKEECU-JLLWLGSASA-N 312.822 1.716 70 50 DDIA Cc1cc(C(=O)N(C)C[C@@H]2CCN(CC(C)C)C2)cc(=O)[nH]1 217773941 ZMOLUEZOYOHXJF-AWEZNQCLSA-N 305.422 1.733 70 50 DDIA Nc1nnc(SCC(=O)N[C@@H]2CCc3ccccc3C2)s1 218027428 HLLNBBWWSGOPMQ-LLVKDONJSA-N 320.443 1.886 70 50 DDIA CS(=O)(=O)Nc1cccc2cc(S(=O)(=O)F)ccc12 1875388118 NLUMORYOHVHQJY-UHFFFAOYSA-N 303.336 1.870 70 50 DDIA CNC(=O)CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161094876 ALTTWTQLWMZZNK-QWHCGFSZSA-N 316.323 1.949 70 50 DDIA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)cc(C)o1 218572376 VLHVVCAPFJEWSY-CYBMUJFWSA-N 306.362 1.421 70 50 DDIA Cn1ncnc1[C@H](NC(=O)Cn1cnc2ccccc21)C1CC1 218131177 KTDGFNYCMDDFHR-OAHLLOKOSA-N 310.361 1.432 70 50 DDIA Cc1nccc(C2CCN(C(=O)CCCn3cncn3)CC2)n1 217167231 QNPATZVLWVIOPF-UHFFFAOYSA-N 314.393 1.563 70 50 DDIA O=C(NC1CCCC1)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 218334911 JUBTVIXSGKNAKO-UMSPYCQHSA-N 319.409 1.593 70 50 DDIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(N)nc1)C2 216964416 JRDPLTNNIVUBOJ-OLZOCXBDSA-N 302.378 1.137 70 50 DDIA COc1ccccc1OC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(=O)[nH]1 217789615 PJTATPNWLJSWFW-VIFPVBQESA-N 320.349 1.141 70 50 DDIA COc1nccnc1N[C@@H]1CCOC[C@H]1OCc1ccccn1 218410614 HFJBGFQTHXYLHC-ZIAGYGMSSA-N 316.361 1.666 70 50 DDIA CN(C(=O)[C@H]1CSCN1)[C@H]1CCN(c2ccccc2F)C1=O 159935744 DJETWRNOTQENES-YPMHNXCESA-N 323.393 1.052 70 50 DDIA COc1coc(C(=O)N2CCN(c3ccccn3)CC2)cc1=O 218514387 PBZHIVXBXZTATK-UHFFFAOYSA-N 315.329 1.006 70 50 DDIA O=S(=O)(F)N1CCC(N=c2[nH]c3ccccc3s2)CC1 1875373659 JZEZKDZEENIUPG-UHFFFAOYSA-N 315.395 1.809 70 50 DDIA Cc1ccc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)o1 1875382805 SEFPDXOENWPLNU-UHFFFAOYSA-N 300.267 1.828 70 50 DDIA CC(C)(C)c1nsc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 159776630 PIQQFQHHELFXRR-RMLUDKJBSA-N 323.422 1.626 70 50 DDIA O=C(NCc1cnn2cccnc12)c1scc2c1OCCO2 217937319 VSEZLCMYZIDJCQ-UHFFFAOYSA-N 316.342 1.492 70 50 DDIA CN1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 217625070 IDBMZQVOUBJGRZ-LLVKDONJSA-N 306.410 1.282 70 50 DDIA CCc1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)s1 160057203 FORCHPXXQBTVJP-VIFPVBQESA-N 302.421 1.210 70 50 DDIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCO)n1 218248921 XARDKMOYJUMOOC-HNNXBMFYSA-N 314.389 1.225 70 50 DDIA COc1cc(C)cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 159905728 ISUFEMLQHXMCFZ-CYBMUJFWSA-N 317.389 1.566 70 50 DDIA CSc1ncccc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 216954968 BPRNHYNICMEAIB-HNNXBMFYSA-N 321.402 1.860 70 50 DDIA Cc1cc(COC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc(C)n1 952883648 OLLBUPFNPNHTBL-UHFFFAOYSA-N 313.310 1.437 70 50 DDIA Cc1cc(=O)cc(C(=O)NC2CCN(C3CCOCC3)CC2)o1 218282695 NVANNPWFVPEVNK-UHFFFAOYSA-N 320.389 1.321 70 50 DDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@H](CO)C1 1875382301 XLQDVKNWKFJECF-VIFPVBQESA-N 318.326 1.126 70 50 DDIA Cc1nc2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCCO)cc2o1 218166719 IHAITMYVCKDEHT-UKRRQHHQSA-N 320.345 1.032 70 50 DDIA OCc1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 217175527 FBOWAKWVAQLGCC-UHFFFAOYSA-N 321.764 1.773 70 50 DDIA O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)F)C1 1875374636 BJOMWOHMLJDKAV-SNVBAGLBSA-N 311.338 1.248 70 50 DDIA COc1ccccc1CCC(=O)NCCc1nnc(N)s1 218407821 NIIPVSPMRNIBJS-UHFFFAOYSA-N 306.391 1.420 70 50 DDIA Nc1[nH]nc(C(=O)NCc2c[nH]nc2-c2ccccc2)c1Cl 217156424 WRCRRFQIHYEIHN-UHFFFAOYSA-N 316.752 1.965 70 50 DDIA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 217865552 MDDLPXICZLLDBB-KBPBESRZSA-N 318.421 1.284 70 50 DDIA CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)F 675066962 SJWUJPWZAOTLGS-NEPJUHHUSA-N 317.338 1.322 70 50 DDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCn1ccnc1C)C2 217180810 LDERVAJNSMQBFL-OAHLLOKOSA-N 317.393 1.264 70 50 DDIA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCCc2ccncc2)n1 217120772 QDEXQGQREBDTND-LLVKDONJSA-N 318.402 1.313 70 50 DDIA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnc(O)cn1 217193809 SQBUGGNOBIMMQZ-ZDUSSCGKSA-N 324.344 1.335 70 50 DDIA O[C@H]1CN(Cc2ccco2)CCN(c2noc(C3CC3)n2)C1 217757427 OSLYDMRAEZNEAB-LBPRGKRZSA-N 304.350 1.223 70 50 DDIA O=C1CN(C2CC2)C(=O)N1Cc1cccc(S(=O)(=O)F)c1 1875381367 RZEWQEKLYRPHTI-UHFFFAOYSA-N 312.322 1.271 70 50 DDIA O=C(NS(=O)(=O)C1CCCC1)[C@H]1OCCc2ccccc21 161159775 CQNLSFUUXSLBQA-AWEZNQCLSA-N 309.387 1.689 70 50 DDIA COC(=O)N[C@@H](C)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 218150276 QMIGMFODWFRRIC-VIFPVBQESA-N 302.334 1.233 70 50 DDIA Nc1cnn(CC(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1 217570145 HYHILBHLGOMRGV-OAHLLOKOSA-N 315.377 1.068 70 50 DDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cnco2)cn1 218770681 UZCDXEYMQPNULJ-OCCSQVGLSA-N 303.318 1.344 70 50 DDIA C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385470 UFFSJQRCEPNIKE-GZMMTYOYSA-N 303.311 1.643 70 50 DDIA O=C(NC[C@]1(O)CCCNC1)c1ccc2ccccc2c1O 216936959 VWRWJCYTOPSDBJ-KRWDZBQOSA-N 300.358 1.390 70 50 DDIA N[C@@H]1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 160309758 SJVLUZNRWOXYIM-LLVKDONJSA-N 315.329 1.286 70 50 DDIA O=C1CCC2(CCN(C(=O)Cc3ccc(F)cc3F)CC2)N1 217813283 HCFSTVGHBJRFEV-UHFFFAOYSA-N 308.328 1.779 70 50 DDIA COc1ccccc1-c1n[nH]cc1C(=O)N[C@H](CO)C(C)C 218343195 IDYCPSUHFXHJCI-CYBMUJFWSA-N 303.362 1.832 70 50 DDIA CC(C)[C@H](C)N(CCS(=O)(=O)F)Cc1ccc(O)nc1 1875382529 FJAORXNNEIXNJJ-NSHDSACASA-N 304.387 1.933 70 50 DDIA Cc1cc(N)n(CC(=O)N[C@H](C)c2nc3c(s2)CCCC3)n1 218681938 UQOBQWLXWGKKRF-SNVBAGLBSA-N 319.434 1.986 70 50 DDIA COc1ccc(C(=O)NCCCn2ccccc2=O)cc1F 217367143 RDZUSHIUXOVGQK-UHFFFAOYSA-N 304.321 1.816 70 50 DDIA O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1ccncc1 218193094 UJBMJTRMQNDKKX-HNNXBMFYSA-N 311.341 1.530 70 50 DDIA Cc1cc(F)ccc1N1CCC(N[C@@H]2COCC[C@H]2O)CC1 217408058 SEGXDPIAXDCBEE-NVXWUHKLSA-N 308.397 1.842 70 50 DDIA CCC[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1nccn1C 218315544 NBLSHYOHETVICN-ZDUSSCGKSA-N 317.393 1.320 70 50 DDIA Cc1ccccc1CSCC(=O)N1CCC[C@](O)(CO)CC1 218353586 ITWOVZWXDAFZDH-QGZVFWFLSA-N 323.458 1.964 70 50 DDIA CC1(C)OC(=O)C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 218546550 PFNLSSFOWOBLHH-CQSZACIVSA-N 302.374 1.677 70 50 DDIA CSCC[C@@H](O)C(=O)N(C)Cc1ccc(-n2cccn2)cc1 217906163 ZSYKSWPJPAQWMQ-OAHLLOKOSA-N 319.430 1.945 70 50 DDIA CC[C@@H](C)CS(=O)(=O)NC(=O)[C@@H]1OCCc2ccccc21 160856301 OOBNLDLNPLKIQZ-BXUZGUMPSA-N 311.403 1.793 70 50 DDIA COc1cccc(-c2noc(CC(=O)NCC(F)(F)F)n2)c1 161013689 HLSOOOMLKGCESH-UHFFFAOYSA-N 315.251 1.966 70 50 DDIA Cc1cccc2[nH]c(COCC(=O)NCc3nccn3C)nc12 217536621 DCVHOWSSVCIQKS-UHFFFAOYSA-N 313.361 1.438 70 50 DDIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(=O)[nH]1 217074458 HGTWAPQBSHXJDP-UHFFFAOYSA-N 300.293 1.663 70 50 DDIA O=C(CCc1cc(Cl)no1)N[C@H](CO)Cc1ccccc1 218272430 XEFWCMIPHAMGMB-LBPRGKRZSA-N 308.765 1.980 70 50 DDIA O=C(NCCc1c[nH]cn1)c1cnc2c(F)cccc2c1O 218161055 REOZKWCCVIXQQB-UHFFFAOYSA-N 300.293 1.775 70 50 DDIA CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)c1ccco1 217688832 JZWNTWXZAXUEFT-LLVKDONJSA-N 301.298 1.761 70 50 DDIA O=C(CCc1c[nH]c2ccccc12)N1CCn2nc(CO)cc2C1 216909630 DPAFUQVMIVBTIH-UHFFFAOYSA-N 324.384 1.832 70 50 DDIA O=C(CCc1cccnc1)NCCn1ncc2ccccc2c1=O 218667179 YCWGKRLXMVAOGC-UHFFFAOYSA-N 322.368 1.541 70 50 DDIA Cc1cccc([C@H](C(=O)NCCN2CCCCC2=O)N(C)C)c1 218122606 HJNGKVDQOQCFPV-QGZVFWFLSA-N 317.433 1.726 70 50 DDIA CNC[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)NC)cc1 161338782 YWTTXWKCGWCOHO-JOZWUWCOSA-N 301.390 1.270 70 50 DDIA O=C(CCNC(=O)c1cnccn1)Nc1ccc2[nH]ccc2c1 218495299 MYBQPIDRCADXLB-UHFFFAOYSA-N 309.329 1.717 70 50 DDIA Cc1cc([C@H]2CCCN2C(=O)CN2CCCN(C)CC2)no1 218456283 PUHRNCJLVBIUQS-OAHLLOKOSA-N 306.410 1.284 70 50 DDIA O=C(Cc1cccnc1)Nc1ccc(OS(=O)(=O)F)cc1 1875374592 XTLGXVLXKFZPBP-UHFFFAOYSA-N 310.306 1.856 70 50 DDIA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N1CC[C@](O)(C(F)(F)F)C1 160700768 UMLYXGCLTHNMGR-JAUFEGHXSA-N 306.328 1.433 70 50 DDIA O=C([C@H]1Cc2cc(Cl)ccc2N1)N1CC(N2CCOCC2)C1 218485960 KRLUWTHGTODBHB-OAHLLOKOSA-N 321.808 1.220 70 50 DDIA COc1ccc(F)cc1C(=O)N(C)CC1(CO)CCOCC1 218744121 HUUKDWWGDUMPBZ-UHFFFAOYSA-N 311.353 1.695 70 50 DDIA CC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C1CC1 1875385224 OXUHHXSPAVFRKN-UHFFFAOYSA-N 302.327 1.688 70 50 DDIA CSCc1ccc(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)o1 217122421 MKRFROAQDTZVOP-QZHINBJYSA-N 311.403 1.346 70 50 DDIA Cc1cc(C)n(C[C@H](C)NC(=O)c2c[nH]c(=O)c(Cl)c2)n1 217819095 MGWHQBOZKSARHS-VIFPVBQESA-N 308.769 1.660 70 50 DDIA Cc1cccc(N2CCN(CC(=O)N[C@H]3CCOC3)CC2)c1 217718155 UOOMVGCRJSOLKZ-HNNXBMFYSA-N 303.406 1.022 70 50 DDIA COc1ccc(C(=O)NCCc2noc(C(F)(F)F)n2)o1 217927478 KKGRTAHNCPJMQV-UHFFFAOYSA-N 305.212 1.663 70 50 DDIA COc1ccccc1OC(C)(C)C(=O)N[C@H](C)c1n[nH]c(=O)[nH]1 217789703 PJTATPNWLJSWFW-SECBINFHSA-N 320.349 1.141 70 50 DDIA O=C(c1ccc(OCC(F)F)nc1)N1CCOC[C@@H]1C1CC1 161245404 VYXSSPHOCHHSDW-GFCCVEGCSA-N 312.316 1.977 70 50 DDIA CN(C)c1ncccc1CNC(=O)N[C@H]1CCc2[nH]ncc2C1 160246942 BXBUVXNAEVVIJQ-ZDUSSCGKSA-N 314.393 1.227 70 50 DDIA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@](O)(CO)C1 218186289 DJFAMDAQJREROZ-CQSZACIVSA-N 317.307 1.594 70 50 DDIA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(F)cc(Cl)c1 218322683 OAZJIWYVOFNEHH-CHWSQXEVSA-N 317.744 1.375 70 50 DDIA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2ccncn2)nc(N)n1 217703862 XVZHPGVKWKGRQX-NSHDSACASA-N 314.393 1.881 70 50 DDIA COc1ccc(CNC(=O)[C@H]2CC(=O)OC2(C)C)cc1OC 218012057 QCXGINBLJZZLJY-LLVKDONJSA-N 307.346 1.662 70 50 DDIA biogenic CC(C)N1CCC(NC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)CC1 218527724 HVZXFRIBOBULIV-UHFFFAOYSA-N 320.437 1.670 70 50 DDIA CC[C@H](NC(=O)CCN1CCCCCC1=O)c1cnn(C)c1 218761503 PUQZMSRJWLPVMV-AWEZNQCLSA-N 306.410 1.780 70 50 DDIA COCCn1cnnc1[C@H](C)NC(=O)c1cc(Cl)ccc1O 218570234 JMBAMKDDBAUNCX-VIFPVBQESA-N 324.768 1.775 70 50 DDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)Cc2c[nH]cn2)cn1 218740589 RWCGNABDRYLWDQ-CABCVRRESA-N 316.361 1.008 70 50 DDIA CN1CCC[C@@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 216931027 SOKQAPAHEQJJFX-GFCCVEGCSA-N 320.437 1.481 70 50 DDIA CC(=O)c1cccc(C(=O)N2CCC[C@@](CO)(CN(C)C)C2)c1 218167468 LOBYIVKMDFXYCS-GOSISDBHSA-N 318.417 1.666 70 50 DDIA CCCCN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218400923 CKASWFZUQJRWAW-UHFFFAOYSA-N 304.442 1.186 70 50 DDIA C/C(=C\c1ccco1)CN1CCCn2nc([C@H](O)CO)cc2C1 217606417 LQEJTPSYAAHVJF-MSGBMKDASA-N 317.389 1.811 70 50 DDIA CNC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161209566 WDSJMNLGFIPSOB-NWDGAFQWSA-N 302.296 1.559 70 50 DDIA Cc1nnnn1-c1ccccc1C(=O)NCCc1ccncc1 218512777 ULTISBMEXMMBJU-UHFFFAOYSA-N 308.345 1.338 70 50 DDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)COc1ccccc1C 218095195 NXUQZOHZJHFTKG-IXKJSCDLSA-N 305.374 1.540 70 50 DDIA Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 217896305 XJEYYFMYYANRCI-NSHDSACASA-N 305.338 1.791 70 50 DDIA COC[C@@H]1[C@@H](NC(=O)Cc2cc(F)ccc2C)[C@@H]2CCO[C@@H]21 218596974 VGRRMNKCCLAGOI-FSDCSDTHSA-N 307.365 1.843 70 50 DDIA Cc1ccn(-c2ccccc2NC(=O)[C@H]2CN(C)CCO2)n1 161334478 CGOXNUCVPHQCKI-OAHLLOKOSA-N 300.362 1.450 70 50 DDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1coc2ccccc2c1=O 218285316 ZTPMEEWLEZVKGS-JTQLQIEISA-N 313.313 1.125 70 50 DDIA Cc1cccc(N2CCN(CC(=O)N[C@@H]3CCOC3)CC2)c1 217718062 UOOMVGCRJSOLKZ-OAHLLOKOSA-N 303.406 1.022 70 50 DDIA NC(=O)[C@H](c1ccccc1)C1CCN(S(=O)(=O)F)CC1 1875376276 QZFFBAXHPSFBBM-GFCCVEGCSA-N 300.355 1.182 70 50 DDIA CC(C)n1c(CNC(=O)CCn2cnnn2)nc2ccccc21 217950650 VFPMQLLPLKKMAN-UHFFFAOYSA-N 313.365 1.310 70 50 DDIA COc1ccc(C(=O)N(C)CCC2(O)CCCC2)c(OC)n1 218374213 LNJSKEVPKVLWSX-UHFFFAOYSA-N 308.378 1.866 70 50 DDIA CC1(C)Cc2c(cnn2-c2ccncc2)CN(S(=O)(=O)F)C1 1875368497 VMZVKGRYCCIMPN-UHFFFAOYSA-N 324.381 1.866 70 50 DDIA Cc1cc(=O)c2ccccc2n1CC(=O)NCC[C@H]1CCOC1 218496458 KCBDMANJBZFBEL-AWEZNQCLSA-N 314.385 1.853 70 50 DDIA CCOc1ccccc1N1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217801408 LFKANRXZOGDCFJ-ZSHCYNCHSA-N 301.434 1.673 70 50 DDIA O=C(CCOC1CC1)Nc1ccc(OS(=O)(=O)F)cc1 1875384358 GCYPWGWSLWXTIF-UHFFFAOYSA-N 303.311 1.787 70 50 DDIA Cn1cnnc1SCCNC(=O)c1cccc2c1OCCO2 217410453 ONBDBNHKRYIZBA-UHFFFAOYSA-N 320.374 1.108 70 50 DDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1C[C@H]2C[C@@H]2C1 1875382801 SACSBLHLKDVSFG-RKDXNWHRSA-N 300.311 1.763 70 50 DDIA COc1cc(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)on1 217847942 XMDCTOKPJQLETG-DZGCQCFKSA-N 321.421 1.997 70 50 DDIA biogenic CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCNC3)ccc2NC1=O 161382017 FUHVTLQPOBORQA-QKCSRTOESA-N 317.389 1.583 70 50 DDIA CC[C@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1)c1cnn(C)c1 218554376 OIRDYOYEGWURKB-NSHDSACASA-N 317.393 1.682 70 50 DDIA Cc1nc([C@H](NC(=O)[C@H]2CCCNC2)c2ccccc2F)no1 160139439 LAZQDMNHTDNFIJ-SMDDNHRTSA-N 318.352 1.722 70 50 DDIA COc1cc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)ccn1 217199461 ZXWKEIJAOMRYGV-LLVKDONJSA-N 316.361 1.386 70 50 DDIA COCc1nc(C)c(CNC(=O)C(=O)Nc2ccccc2)s1 218373298 VKDVENHYZBWGKX-UHFFFAOYSA-N 319.386 1.853 70 50 DDIA Cc1cc(CC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)on1 218701099 XAMGIQSUZKPPHB-SNVBAGLBSA-N 313.317 1.848 70 50 DDIA COCCn1cnnc1[C@@H](C)NC(=O)c1cc(Cl)ccc1O 218570151 JMBAMKDDBAUNCX-SECBINFHSA-N 324.768 1.775 70 50 DDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCn1ccnc1C)C2 217180814 LDERVAJNSMQBFL-HNNXBMFYSA-N 317.393 1.264 70 50 DDIA COC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 217650337 MCRCTTSYWIYMIR-WBOJAVRRSA-N 317.316 1.281 70 50 DDIA Cc1nc(C)c(CC(=O)NCc2cncn2CC(C)C)c(=O)[nH]1 218731615 GBODHGWQNLUBAN-UHFFFAOYSA-N 317.393 1.098 70 50 DDIA COCCn1cncc1CNC(=O)CCc1ccc(O)cc1 218152508 DFPVSUZMNCDXEM-UHFFFAOYSA-N 303.362 1.484 70 50 DDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccco1 217719023 FQWGVUIIKWYUBM-MRVPVSSYSA-N 303.270 1.586 70 50 DDIA biogenic Cc1cc(N)n(CC(=O)N(C)Cc2cnc3ccccc3c2)n1 218170638 RRYCTEIEEGJAJG-UHFFFAOYSA-N 309.373 1.981 70 50 DDIA CSCc1ccc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)o1 216937583 MKGURQLEZVXJPV-AWEZNQCLSA-N 310.375 1.857 70 50 DDIA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C2 218620755 HMIIQHXWHJDVLG-PRXAMGSTSA-N 321.421 1.649 70 50 DDIA COc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3O)CCCC2)cc1 218625296 WJGJTLKUHSTYKM-HZPDHXFCSA-N 319.401 1.773 70 50 DDIA O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)C1CC1 218173536 LLTGZTAOBQZEJN-SNVBAGLBSA-N 301.437 1.441 70 50 DDIA C[C@@H](Cn1cccn1)NC(=O)Cc1ccc(S(C)(=O)=O)cc1 218608656 FLFUJPMRIRQFTM-LBPRGKRZSA-N 321.402 1.034 70 50 DDIA CCO[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H]1O 218571214 ZKFXOUHOIUCENW-OALUTQOASA-N 318.461 1.775 70 50 DDIA Nc1nc(CCCNC(=O)c2n[nH]c3ccccc23)cs1 217001960 GAMVCAXNYVOVOL-UHFFFAOYSA-N 301.375 1.964 70 50 DDIA O=S(=O)(F)N1CCC(Nc2cc(C(F)F)ncn2)CC1 1875373747 NQRCACVVUNXMDJ-UHFFFAOYSA-N 310.301 1.505 70 50 DDIA Cc1cc(=O)cc(C(=O)N2CCCO[C@H](CN3CCCC3)C2)o1 217712755 IFFROFLKXRILGA-OAHLLOKOSA-N 320.389 1.275 70 50 DDIA COc1ccc(F)c(CN2CCCn3nc(CO)cc3C2)c1 217909236 LWKPGDHKEWFQEQ-UHFFFAOYSA-N 305.353 1.929 70 50 DDIA CN(C)[C@@H](C(=O)NCC1(C)COC1)c1ccc2c(c1)OCO2 217472406 OFCAOMRMZHYIEC-CQSZACIVSA-N 306.362 1.171 70 50 DDIA Cc1ccc(C(=O)OC2CCN(c3ccncn3)CC2)n1C 160021370 BGUFFFGPWPYKFK-UHFFFAOYSA-N 300.362 1.949 70 50 DDIA CN(C)[C@@H](CNC(=O)CN1CCC[C@@](C)(O)C1)c1ccccc1 160196533 WYAKJSZMHOCXLI-FUHWJXTLSA-N 319.449 1.252 70 50 DDIA Nc1cc(Cl)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl 45329248 YIZXGHNDQUYDDF-UHFFFAOYSA-N 324.594 1.777 70 50 DDIA in-vitro Cc1cnccc1CNC(=O)[C@H](O)COc1ccccc1C 218516068 CAAHBRPWLSLNMM-OAHLLOKOSA-N 300.358 1.755 70 50 DDIA Cc1cc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)no1 1875385000 KUJUVDIHOPFKPK-UHFFFAOYSA-N 315.282 1.248 70 50 DDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OC(F)F)c1 218400729 BLFMGKGZYDDEJE-JTQLQIEISA-N 311.288 1.620 70 50 DDIA COCc1nc(C2CC(N)C2)cc(N(C)Cc2nc(C)c[nH]2)n1 218549862 RBDHDVSZYVVKLK-UHFFFAOYSA-N 316.409 1.496 70 50 DDIA O=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1OCC1CCC1 217993456 KVRQSAFDHLDKAN-HZPDHXFCSA-N 321.421 1.823 70 50 DDIA COC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2=O 216702610 AGPBTSZUEHSFNN-MRVPVSSYSA-N 309.322 1.449 70 50 DDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1sccc1N)C2 217516446 QXEJEJLXSUEOOX-SECBINFHSA-N 306.391 1.626 70 50 DDIA O=S(=O)(F)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 1875374656 BSZLJRNKGYIWGB-SNVBAGLBSA-N 302.375 1.398 70 50 DDIA Cc1nccn1-c1ccccc1CNC(=O)CN1CCOCC1 218677616 LWOLOCFYIPGWSH-UHFFFAOYSA-N 314.389 1.129 70 50 DDIA Cc1n[nH]c(C)c1CCNC(=O)COCC(F)(F)C(F)F 217523954 RUILBNCXMHAFTM-UHFFFAOYSA-N 311.279 1.602 70 50 DDIA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1CCCCCC1=O 217546176 SLXSIKDVCSWMSV-UHFFFAOYSA-N 306.410 1.430 70 50 DDIA CSCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 160843332 QJOGBUHKEGBQFR-CABCVRRESA-N 308.447 1.975 70 50 DDIA Cc1nnc(CN2CCO[C@@H](c3nccs3)C2)n1C1CC1 161448361 XIXFEBQYDWVAJG-GFCCVEGCSA-N 305.407 1.951 70 50 DDIA COC(=O)CCc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1 218560387 QBKUOZDAVSRESS-UHFFFAOYSA-N 302.330 1.477 70 50 DDIA C[C@@H](c1ccncn1)N(C)C(=O)c1nc2ccccc2c(=O)[nH]1 216925919 CCDVLFNEOKKEPZ-JTQLQIEISA-N 309.329 1.546 70 50 DDIA O=C(CCC1=NNC(=O)CC1)NCc1ccc2c(c1)CCCO2 218272347 RDUGTPPUVKEJQR-UHFFFAOYSA-N 315.373 1.674 70 50 DDIA O=C(N1CCn2nc(CO)cc2C1)C1(c2ccccc2F)CC1 217743786 KDBIWOXDMSRJPG-UHFFFAOYSA-N 315.348 1.589 70 50 DDIA Cc1ncsc1CCNC(=O)c1nc(=O)[nH]c2ccccc12 217181965 FIOAOBMXWHONTD-UHFFFAOYSA-N 314.370 1.661 70 50 DDIA O=C(NC1CCCCC1)c1cncc(OS(=O)(=O)F)c1 1875384798 IRFRXNRQTQMWTI-UHFFFAOYSA-N 302.327 1.737 70 50 DDIA CCn1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C 218569711 UMBCIIQNMDXMSN-CABCVRRESA-N 321.421 1.834 70 50 DDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1sccc1N)C2 217516543 QXEJEJLXSUEOOX-VIFPVBQESA-N 306.391 1.626 70 50 DDIA CN(Cc1ccon1)C(=O)COCc1nc2cc(F)ccc2[nH]1 217184218 SCXIPZXQRQUQQW-UHFFFAOYSA-N 318.308 1.865 70 50 DDIA CN(C(=O)[C@@H]1CSCN1)[C@H]1CCN(c2ccccc2F)C1=O 159935503 DJETWRNOTQENES-AAEUAGOBSA-N 323.393 1.052 70 50 DDIA CC[C@H](NC(=O)CN(C)Cc1cccnc1)c1nc(C)c[nH]1 216968302 DVKRGYVXTLKMJY-AWEZNQCLSA-N 301.394 1.812 70 50 DDIA Cc1n[nH]c(C2CCN(c3cc(C4CC(N)C4)ncn3)CC2)n1 218131500 PTYWMGUUFIQMFK-UHFFFAOYSA-N 313.409 1.492 70 50 DDIA CC[C@@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)[C@H]1C[C@@H](O)C1 218672881 LUISCOYZIAGZMW-IJLUTSLNSA-N 303.362 1.335 70 50 DDIA CC[C@](C)(O)CN(C)CCNS(=O)(=O)c1ccc(C)cc1 161321532 LGGWZSOMTMXTFD-HNNXBMFYSA-N 314.451 1.366 70 50 DDIA O=S(=O)(F)CCN(Cc1cccs1)C[C@@H]1CCOC1 1875382825 SWGJTUCGMJECPA-NSHDSACASA-N 307.412 1.886 70 50 DDIA CN(C)C1(CNc2c(N3CCSCC3)c(=O)c2=O)CCCC1 218425087 IPWUFWIWKZLUSU-UHFFFAOYSA-N 323.462 1.122 70 50 DDIA CCOC(=O)[C@@]1(CCS(=O)(=O)F)Cc2ncccc2C1=O 888096182 WTDFUUHBYZNZQC-ZDUSSCGKSA-N 315.322 1.059 70 50 DDIA COc1cc(OC)c(C(=O)N(C)Cc2nnc(C)o2)cc1OC 218520609 ZHLYHWSUKQOEIF-UHFFFAOYSA-N 321.333 1.676 70 50 DDIA CC(C)(C)c1nsc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 159776375 PIQQFQHHELFXRR-RTHLEPHNSA-N 323.422 1.626 70 50 DDIA COc1ccc(C(=O)N2CCCN(S(=O)(=O)F)CC2)cc1 1875368256 DCNDWXVMYHASPG-UHFFFAOYSA-N 316.354 1.057 70 50 DDIA C[C@H](C1CCN(C(=O)Cn2ccc(=O)cc2)CC1)N1CCCC1 218104826 NGHLVNAOOYUQJW-OAHLLOKOSA-N 317.433 1.571 70 50 DDIA O=C(NC1CCCC1)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 218743740 JUBTVIXSGKNAKO-KLPPZKSPSA-N 319.409 1.593 70 50 DDIA CCn1cc(CNC(=O)Cn2ccc(=O)c3ccccc32)cn1 218291625 UELJOFJSDVPCQK-UHFFFAOYSA-N 310.357 1.534 70 50 DDIA CC(C)[C@@H](CO)NC(=O)CCCc1nc(-c2ccco2)no1 218394385 JBIINFXAZZYVGO-LLVKDONJSA-N 307.350 1.785 70 50 DDIA CSc1ncccc1C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 217201400 AYWMNTLWDDEAIQ-OAHLLOKOSA-N 321.402 1.908 70 50 DDIA Cc1cc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)cc(=O)[nH]1 217774397 LARQUHGZDAZZED-UHFFFAOYSA-N 317.389 1.300 70 50 DDIA CCc1nccn1CCC(=O)N1CCC(n2cnnc2)CC1 217129204 RBADTLJOYROKRF-UHFFFAOYSA-N 302.382 1.291 70 50 DDIA CCc1nn(C)c(Cl)c1CN1CCn2nc(CO)cc2C1 217433507 ZDEKOEUMBWSENZ-UHFFFAOYSA-N 309.801 1.341 70 50 DDIA C[C@@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CC[C@H]1C 160290458 YXHLTBQWWUKOEP-CHWSQXEVSA-N 304.394 1.499 70 50 DDIA Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H]1CC=CCC1 161310537 FWUMDVUOVDOQRX-SNVBAGLBSA-N 314.432 1.790 70 50 DDIA Cn1ccc(N(CCS(=O)(=O)F)Cc2cccc(F)c2)n1 1875382797 RYTPRTYETMMIDA-UHFFFAOYSA-N 315.345 1.865 70 50 DDIA COCCc1noc(CN(C)C(=O)NCc2cccc(F)c2)n1 159945519 QOJMVPLRNAURFW-UHFFFAOYSA-N 322.340 1.739 70 50 DDIA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)Cn1nnnc1N 217569277 LOMVPSPMLNEFEC-MRXNPFEDSA-N 314.393 1.082 70 50 DDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cnn(C(C)C)c2)o1 218323702 ACNJUJGIGVAGKH-LLVKDONJSA-N 305.334 1.439 70 50 DDIA CCOCCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1 218304211 ADUIZHIWZUKVHM-HZPDHXFCSA-N 323.389 1.636 70 50 DDIA Cc1nnnn1CCC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 218171673 PCIGAEVBPKVEDN-UHFFFAOYSA-N 305.386 1.051 70 50 DDIA CN1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 217722899 QRZDRAFEXZJZFI-ZDUSSCGKSA-N 306.410 1.728 70 50 DDIA O=C(O)c1cc(F)c(Br)c(S(=O)(=O)F)c1 675066034 UUZAFWMRGJOGBW-UHFFFAOYSA-N 301.064 1.945 70 50 DDIA Cc1nc(N)ncc1C(=O)NCCc1nc2c(s1)CCC2 218062355 GKWALKXKAQYKDO-UHFFFAOYSA-N 303.391 1.285 70 50 DDIA Cc1noc(C)c1C(=O)N1CCCN(c2ncccn2)CC1 218655266 SLOLEPOTLZWIEH-UHFFFAOYSA-N 301.350 1.434 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCCC12CC2 1875383825 BJLMXCJQDZMHFX-UHFFFAOYSA-N 314.338 1.833 70 50 DDIA CC(C)(C)OC(=O)N1CC(c2ocnc2CS(=O)(=O)F)C1 1857778985 YLCHYDJCTUSJNN-UHFFFAOYSA-N 320.342 1.808 70 50 DDIA Cn1c(C(=O)NCCc2noc(CO)n2)cc2ccccc21 217874926 SMSHFKHSEOZDGH-UHFFFAOYSA-N 300.318 1.026 70 50 DDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)Cn2ncc3ccccc32)n1 217528602 MAOUIHVLODDCND-AWEZNQCLSA-N 310.361 1.827 70 50 DDIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1n[nH]c(N)c1Cl 217956868 BOUATYJRIVNXIR-UHFFFAOYSA-N 322.731 1.933 70 50 DDIA COC(=O)N[C@H](C)C(=O)NCc1ccccc1-n1ccnc1 218240972 JONOMUHPCLOWIU-LLVKDONJSA-N 302.334 1.233 70 50 DDIA CO[C@@H]1COCC[C@H]1NC(=O)CCc1nc2cc(F)ccc2[nH]1 218348411 CDBKJNBOPWAOHV-TZMCWYRMSA-N 321.352 1.555 70 50 DDIA COc1cccc(/C=c2/sc3nc(C)nn3c2=O)c1OC 218369581 RFSSAFQTXVRPKP-YRNVUSSQSA-N 303.343 1.024 70 50 DDIA COCCN1CC[C@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 218206652 LPCKSAVVSGFSEB-CYBMUJFWSA-N 324.446 1.991 70 50 DDIA O=S(=O)(F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 166121377 DFGMGALRTOXHPN-UHFFFAOYSA-N 307.368 1.519 70 50 DDIA Cc1cnn(CCCNc2cc(C3CC(N)C3)nc(N)n2)c1 218308955 HMGYIFITGAFBPJ-UHFFFAOYSA-N 301.398 1.271 70 50 DDIA COC(=O)CNC(=O)CCn1cc(C(C)=O)c2ccccc21 218272522 DFSVMJGRJOKFIR-UHFFFAOYSA-N 302.330 1.523 70 50 DDIA COc1ccc(C(=O)NCCCc2cnn(C)c2)c(OC)n1 218757767 ULPZSHNOGOTZBJ-UHFFFAOYSA-N 304.350 1.195 70 50 DDIA Cn1nccc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 161165310 VIBQFOOIMONHAM-KRWDZBQOSA-N 310.357 1.400 70 50 DDIA CC[C@H](Cn1ccnc1)NC(=O)c1n[nH]c(=O)c2ccccc12 217980907 PYMVMGUHQJMTKQ-LLVKDONJSA-N 311.345 1.328 70 50 DDIA O=C(N[C@H]1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccoc1 216926951 KXSPXZMJQZZIAL-SCZZXKLOSA-N 304.268 1.857 70 50 DDIA Cc1ccn(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)n1 218374420 HKIYPIKVTQJDQS-SVGFKBNWSA-N 303.406 1.901 70 50 DDIA CCc1nccn1CCCNC(=O)c1c[nH]c(=O)c(Cl)c1 217007312 AFMCPULAOLZXDV-UHFFFAOYSA-N 308.769 1.607 70 50 DDIA COC[C@@H]1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 218710700 ZIBHKDAEBGNHFL-CYBMUJFWSA-N 311.403 1.128 70 50 DDIA CCO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)C[C@@H]1O 218263539 JUGNDGXBWNLXAU-RYUDHWBXSA-N 309.753 1.210 70 50 DDIA CN1C[C@]2(CCCN(C(=O)CSc3ncccn3)C2)OC1=O 217040169 BBLFOJOFWNAIIU-AWEZNQCLSA-N 322.390 1.012 70 50 DDIA CC(C)N(C)CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218115440 NAVBZAWBSINYRD-SJORKVTESA-N 320.433 1.817 70 50 DDIA COc1ccc([C@@H](O)C(=O)NCCc2c(C)n[nH]c2C)cc1 216972049 QAIGKVDWCNNARP-OAHLLOKOSA-N 303.362 1.427 70 50 DDIA COC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2=O 216702657 AGPBTSZUEHSFNN-QMMMGPOBSA-N 309.322 1.449 70 50 DDIA C[C@@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H]1C 1875384327 FFWIEOZEJBTKLC-NXEZZACHSA-N 316.354 1.935 70 50 DDIA O=S(=O)(F)N1CCC[C@H](c2nnc3n2CCCCC3)C1 1875374655 BSZLJRNKGYIWGB-JTQLQIEISA-N 302.375 1.398 70 50 DDIA O=S(=O)(F)Oc1ccccc1S(=O)(=O)C(F)(F)F 1875390050 OPHQMXAOVPOSKN-UHFFFAOYSA-N 308.230 1.573 70 50 DDIA COC(C)(C)C[C@H](C)NC(=O)c1nnn(C2CCNCC2)c1C 160964787 HEJQXVWCTLDFPU-NSHDSACASA-N 323.441 1.444 70 50 DDIA CN(C)C(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161093348 WMHWQIWPTZAORS-CHWSQXEVSA-N 316.323 1.901 70 50 DDIA COCCN1C[C@H](Cc2ccc(-n3cnnc3)nc2C)CC1=O 218211115 KJZGHXVLTYFTQP-CYBMUJFWSA-N 315.377 1.008 70 50 DDIA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cnc(O)cn1 217193817 SQBUGGNOBIMMQZ-CYBMUJFWSA-N 324.344 1.335 70 50 DDIA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(SCCO)cc1 218378104 NSLZBQPHNFDCNE-ZIAGYGMSSA-N 311.403 1.305 70 50 DDIA O=C(NCc1nnc2n1CCC2)[C@@H]1Cc2cc(Cl)ccc2N1 217776874 HZCJXQGHDHEJHQ-LBPRGKRZSA-N 317.780 1.531 70 50 DDIA Nc1ccsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 218646049 CDFDXHCAPXMKLG-VXGBXAGGSA-N 319.386 1.692 70 50 DDIA CSc1ncccc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 217417659 WEMZQQPJXBFJJU-CQSZACIVSA-N 307.375 1.470 70 50 DDIA COC(=O)c1cc(-c2cccc(OS(=O)(=O)F)c2)on1 1875368516 XTTNRHUAIJSRDO-UHFFFAOYSA-N 301.251 1.721 70 50 DDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cncc(F)c1 1875382953 YXOAROJFIWAXMV-UHFFFAOYSA-N 315.257 1.461 70 50 DDIA CSc1ccc(CC(=O)NC[C@@H]2CN(C)CCN2C)cc1 217109013 KEJYTXFKNODXFJ-CQSZACIVSA-N 307.463 1.313 70 50 DDIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1O 217849212 LZQWNJXGWIJZJL-JTQLQIEISA-N 319.313 1.375 70 50 DDIA biogenic O=c1[nH]c2cc3c(cc2cc1CN1CCSCC1)OCO3 218493129 GGPXWRKEAGNDCQ-UHFFFAOYSA-N 304.371 1.806 70 50 DDIA NC(=O)NC1(C(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 161091640 PWCQTQNTKXBUPO-CQSZACIVSA-N 301.390 1.811 70 50 DDIA O=C(Nc1ccc2c(c1)CN(S(=O)(=O)F)C2)C(F)(F)F 1875370475 PXTNIFRSIDZRJB-UHFFFAOYSA-N 312.244 1.717 70 50 DDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CCCCO1 1875382423 AJUUHUXFWHWAEJ-SNVBAGLBSA-N 304.299 1.182 70 50 DDIA COCCn1c(C)cc(C)c(C(=O)NCc2ccccn2)c1=O 218467840 MJJJZKMGBRQHEP-UHFFFAOYSA-N 315.373 1.437 70 50 DDIA Oc1c([C@@H](c2ccsc2)N2CCOCC2)sc2ncnn12 218547697 ZCEZGAKESRWRIZ-SNVBAGLBSA-N 322.415 1.980 70 50 DDIA CN1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 217625149 IDBMZQVOUBJGRZ-NSHDSACASA-N 306.410 1.282 70 50 DDIA Cc1nc(O)cc(CCNC(=O)c2cnc3ccccc3n2)n1 218554028 MENHHCBWTBJNCU-UHFFFAOYSA-N 309.329 1.406 70 50 DDIA C[C@H](c1ccncn1)N(C)C(=O)c1nc2ccccc2c(=O)[nH]1 216925946 CCDVLFNEOKKEPZ-SNVBAGLBSA-N 309.329 1.546 70 50 DDIA COCCn1c(C)cc(C)c(C(=O)Nc2cnn(C)c2)c1=O 218211183 RQUURNDXEBJZKC-UHFFFAOYSA-N 304.350 1.097 70 50 DDIA O=C(NCCc1nc(-c2cccnc2)no1)c1ncccc1O 217810083 OXJUQJUFCZGVBI-UHFFFAOYSA-N 311.301 1.205 70 50 DDIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(C(F)(F)F)cc1 217902973 NWVZSZDLJDXBDF-AXTRIDKLSA-N 302.296 1.605 70 50 DDIA Cc1n[nH]c([C@@H]2CCCN(CC(C)(C)N3CCOCC3)C2)n1 217985500 ZPNVAFNYXZNICB-CQSZACIVSA-N 307.442 1.403 70 50 DDIA CSc1ncc(C(=O)N2CCC(c3nncn3C)CC2)cn1 218174010 CLZWNFIYQGOOJV-UHFFFAOYSA-N 318.406 1.347 70 50 DDIA Cc1cc(C(=O)NCCc2cn[nH]c2)ccc1N1CCOCC1 217964503 CLMUCTPAKDGEQC-UHFFFAOYSA-N 314.389 1.527 70 50 DDIA O=C(NCc1ccco1)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 218487897 SZOWWBPKLOICQC-LZWOXQAQSA-N 315.373 1.856 70 50 DDIA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cnco1 218089381 YYCPAAQPHXNYRI-OLZOCXBDSA-N 306.293 1.780 70 50 DDIA Cc1nnc(CCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)s1 217376751 HPORFXDJGMRJTD-CQSZACIVSA-N 322.409 1.947 70 50 DDIA O=C(Cc1cccc(O)c1)N1CCN(C2CCCCC2)C(=O)C1 217066857 AFCPBRZBUVEUAU-UHFFFAOYSA-N 316.401 1.938 70 50 DDIA O=C1CCC[C@@H](C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1 1875385623 XOUOYXHBQMWHRJ-SECBINFHSA-N 315.322 1.978 70 50 DDIA CC[C@@H](NC(=O)c1cc(CC(C)C)nc(N)n1)C1CC(O)C1 218281011 OVVDPHWLKNLCTH-KGPNIALWSA-N 306.410 1.537 70 50 DDIA COCc1cc(CN(C)C[C@H](C)N2CCOCC2)ccc1OC 218459429 URBBMXIKOQNZPC-HNNXBMFYSA-N 322.449 1.994 70 50 DDIA O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCNCC1 159451014 WRYHRFUAYBZXSD-UHFFFAOYSA-N 324.306 1.937 70 50 DDIA O=C(CCc1ccsc1)N1CCCn2nc(CO)cc2C1 217960819 BSEXIOPTAFUNGU-UHFFFAOYSA-N 305.403 1.802 70 50 DDIA CNc1cc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)ccn1 217749035 FAYFHEBZILCHKE-NSHDSACASA-N 315.377 1.419 70 50 DDIA COCCn1ccnc1CN1CCCn2nc([C@@H](C)O)cc2C1 217602783 YXLCOAORODDXQW-CYBMUJFWSA-N 319.409 1.185 70 50 DDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(Cl)c(C)nn1C 218205285 QUPUWSXBXJVIOM-JQEKQURRSA-N 313.785 1.162 70 50 DDIA CCCCSc1ncc(CN2CCN(C)[C@@H](CO)C2)cn1 217149239 XNMMCQFEBBVZBO-CQSZACIVSA-N 310.467 1.477 70 50 DDIA O=C(N[C@H](CO)Cc1ccccc1)c1ccc2nccnc2c1 218192925 IFRPDXBEOUJGTQ-HNNXBMFYSA-N 307.353 1.963 70 50 DDIA Cc1nc([C@H](NC(=O)[C@@H]2CCCNC2)c2ccccc2F)no1 160139152 LAZQDMNHTDNFIJ-BXUZGUMPSA-N 318.352 1.722 70 50 DDIA CC(=O)NCCNC(=O)Nc1ccnn1Cc1ccccc1F 160517565 JUUCFVLKURWACA-UHFFFAOYSA-N 319.340 1.328 70 50 DDIA NC(=O)NC1(C(=O)N2CCC[C@H]2CCc2ccccc2)CC1 161091556 PWCQTQNTKXBUPO-AWEZNQCLSA-N 301.390 1.811 70 50 DDIA CNC[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)NC)cc1 161338674 YWTTXWKCGWCOHO-VSGCLNPGSA-N 301.390 1.270 70 50 DDIA CNC[C@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 161341708 VXPAEXWCHQBXSP-HUUCEWRRSA-N 318.421 1.305 70 50 DDIA Cc1nc(O)c(Cl)c(N2CCCn3nc(CO)cc3C2)n1 216975876 YDYCUHZLGWXRHW-UHFFFAOYSA-N 309.757 1.243 70 50 DDIA O=C(N[C@H]1C=CCCC1)c1cncc(OS(=O)(=O)F)c1 1875384991 KROKXGPEJMICMT-JTQLQIEISA-N 300.311 1.513 70 50 DDIA COC(=O)[C@H]1C[C@](O)(c2ccc(OS(=O)(=O)F)cc2)C1 1875374513 UONDJUTVCYALBI-LYWQIFSTSA-N 304.295 1.050 70 50 DDIA CNC[C@@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 161341975 VXPAEXWCHQBXSP-GJZGRUSLSA-N 318.421 1.305 70 50 DDIA COCCN1C[C@H](NC(=O)c2ccc(F)c(F)c2F)CC1=O 218287198 WWCLARNDLKNHGR-MRVPVSSYSA-N 316.279 1.081 70 50 DDIA O=C(NCCO)c1cnc2c(OC(F)(F)F)cccc2c1O 218312551 YDPRVEIMDJQPOC-UHFFFAOYSA-N 316.235 1.561 70 50 DDIA CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 161356498 VOLJGRAYSDTAFW-NEPJUHHUSA-N 306.362 1.342 70 50 DDIA C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](N)C1 160274936 VZRLWMPZZPNVHR-NXEZZACHSA-N 313.195 1.776 70 50 DDIA Cc1cc(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)on1 218604703 OPQKTSFRKHIGSF-CQSZACIVSA-N 307.394 1.285 70 50 DDIA Cc1ccccc1OC[C@H](O)C(=O)NCCc1cccnc1 217168065 QZJIHKAQENMVNO-HNNXBMFYSA-N 300.358 1.489 70 50 DDIA COCCC1(C(=O)NS(=O)(=O)c2c(C)noc2C)CCC1 161089787 RRAGFQXZWFVUFO-UHFFFAOYSA-N 316.379 1.303 70 50 DDIA COc1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2n1 114166479 PPZNNZQHBXZAPS-UHFFFAOYSA-N 308.237 1.867 70 50 DDIA CC[C@@H]1[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@@H]2CCO[C@@H]21 218737155 FZWVWJZPVFFFCB-QKPAOTATSA-N 312.373 1.811 70 50 DDIA Cc1cc(C(=O)NCCCOC2CCN(C)CC2)nc(C)n1 218546117 CLOSQRHUZYYEHA-UHFFFAOYSA-N 306.410 1.324 70 50 DDIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccncc2)[nH]n1 218406839 RNVCIDIOPREEFX-HNNXBMFYSA-N 322.368 1.805 70 50 DDIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c(OC)c1 218301942 QTMVUEAYTRZJMS-NSHDSACASA-N 305.334 1.036 70 50 DDIA COC[C@H](C)n1ccc(N(CCS(=O)(=O)F)CC2CC2)n1 1875382550 FZBASAFBSGXMGA-NSHDSACASA-N 319.402 1.606 70 50 DDIA O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)Cl)C1 59803832 KGTKAEIBOSEJKH-NSHDSACASA-N 303.767 1.966 70 50 DDIA in-vitro O=C(NCc1cccc(F)c1)N1CCCn2nc(CO)cc2C1 217085460 CCCWWEQMFCSUJT-UHFFFAOYSA-N 318.352 1.630 70 50 DDIA Cc1nccn1CCCC(=O)N1CCCn2nc(CO)cc2C1 217066697 BCUNOOFBIPZGBB-UHFFFAOYSA-N 317.393 1.093 70 50 DDIA CC(=O)c1cccc(C(=O)N2CCC[C@](CO)(CN(C)C)C2)c1 218167504 LOBYIVKMDFXYCS-SFHVURJKSA-N 318.417 1.666 70 50 DDIA Cc1cc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)nc(N)n1 217949249 SFBHZSLXQGMCKB-UHFFFAOYSA-N 324.344 1.689 70 50 DDIA COC(=O)CCNC(=O)CC1(n2cccc2)CCSCC1 218499020 QYJCXCRTWDFZBJ-UHFFFAOYSA-N 310.419 1.780 70 50 DDIA Cc1ccc2[nH]c([C@@H](NC(=O)C3(C(N)=O)CC3)C(C)C)nc2c1 217057092 QKTSDWGLRPFUOZ-ZDUSSCGKSA-N 314.389 1.950 70 50 DDIA COC[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@@H]2CCO[C@@H]21 218299151 QTMBRAXLIWRYTP-VZAMPYOESA-N 315.373 1.353 70 50 DDIA Cc1c[nH]c(C(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)n1 216911542 HWZSXWJYAXKTPW-AWEZNQCLSA-N 319.453 1.206 70 50 DDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2ccoc2)cn1 218084708 BNVCVMLGESWVBI-CABCVRRESA-N 302.330 1.949 70 50 DDIA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cnc(O)cn1 217207417 WMYXYQCBNKPONB-UHFFFAOYSA-N 317.736 1.984 70 50 DDIA CSc1ncccc1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 217097359 UKBFOPQRZNVRLU-UHFFFAOYSA-N 316.386 1.362 70 50 DDIA CC(=O)N1CCOC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 161447341 QWDBRKQMMRSRNJ-INIZCTEOSA-N 315.373 1.074 70 50 DDIA O=C(CCc1ccccn1)N1CCCn2nc(CO)cc2C1 216989528 YROVGCYGCGSZSW-UHFFFAOYSA-N 300.362 1.136 70 50 DDIA O=C(c1cnco1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217183161 HFFJLWJGINVLSY-INIZCTEOSA-N 324.340 1.609 70 50 DDIA CN(Cc1cnccn1)C(=O)CCC(=O)N1CCCCCC1 217541234 DIXDTSULPLXHCJ-UHFFFAOYSA-N 304.394 1.618 70 50 DDIA Cc1cnn([C@H](C)C(=O)NCCc2noc(C(F)(F)F)n2)c1 217991982 TXHDANYAKNLOQJ-MRVPVSSYSA-N 317.271 1.513 70 50 DDIA O=C1NCCCC[C@H]1Oc1ccc(OS(=O)(=O)F)cc1 1875374440 QQUSKOUAUCDOBB-LLVKDONJSA-N 303.311 1.327 70 50 DDIA O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1ccccn1 685943971 RCEJXHWMPZUDGW-UHFFFAOYSA-N 308.334 1.599 70 50 DDIA Cc1cnn([C@@H](C)C(=O)NCCc2noc(C(F)(F)F)n2)c1 217991898 TXHDANYAKNLOQJ-QMMMGPOBSA-N 317.271 1.513 70 50 DDIA O=C(c1ccc(SCCO)cc1)N1CCc2n[nH]cc2C1 217671219 RJILIKICPFDYHN-UHFFFAOYSA-N 303.387 1.693 70 50 DDIA COCCN1CC[C@@H](CN(C)C(=O)Cc2ccc(O)c(F)c2)C1 217496434 CXPTTXZGGDZTFR-AWEZNQCLSA-N 324.396 1.501 70 50 DDIA C[C@@]1(O)CCCN(C(=O)NCc2nnc3n2CCCCC3)C1 159901623 PRVKDEWREIYIPQ-OAHLLOKOSA-N 307.398 1.061 70 50 DDIA O=C(N[C@H](CO)c1ccccc1)c1cc(-c2cccnc2)[nH]n1 218143896 GFSJVWHBVQDZFO-MRXNPFEDSA-N 308.341 1.935 70 50 DDIA CN1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1 218383408 MKPUMCQBFWUWLA-UHFFFAOYSA-N 321.421 1.079 70 50 DDIA Cc1nc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)n[nH]1 217176509 JXBYUQHRMPORNM-MRVPVSSYSA-N 308.363 1.008 70 50 DDIA CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCNC3)ccc2NC1=O 161382182 FUHVTLQPOBORQA-SUHUHFCYSA-N 317.389 1.583 70 50 DDIA CC(C)c1ncc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)s1 161151885 COJOZJQNLZPVPN-SECBINFHSA-N 307.375 1.286 70 50 DDIA CNc1cc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)ccn1 217748945 FAYFHEBZILCHKE-LLVKDONJSA-N 315.377 1.419 70 50 DDIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc2c(c1)CCO2 218624115 KHVRAZRLLGBMKL-WBVHZDCISA-N 317.385 1.935 70 50 DDIA O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)F)CC2)cc1 1875375327 ZPWWYSGHGSGVRC-UHFFFAOYSA-N 304.299 1.652 70 50 DDIA CCc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)s1 160057068 FORCHPXXQBTVJP-SECBINFHSA-N 302.421 1.210 70 50 DDIA Cc1nc(C)c(CC(=O)N[C@@H](C)Cc2cccnc2)c(=O)[nH]1 217411135 WGXIEMNNBJWAKR-JTQLQIEISA-N 300.362 1.072 70 50 DDIA O=S(=O)(OC1=C[C@H]2C[C@H]1CC21OCCO1)C(F)(F)F 306515632 DYIIVCKZQXRGKD-NKWVEPMBSA-N 300.254 1.519 70 50 DDIA COC(=O)c1sc(S(=O)(=O)Cl)c(C(=O)OC)c1C 100429126 YITRJBAARVGBBF-UHFFFAOYSA-N 312.752 1.557 70 50 DDIA O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 95676437 ZXYZKIFFWKXROK-UHFFFAOYSA-N 309.796 1.399 70 50 DDIA in-vitro Cc1cc(CC(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)on1 218701020 XAMGIQSUZKPPHB-JTQLQIEISA-N 313.317 1.848 70 50 DDIA O=C(NS(=O)(=O)c1ccsc1)[C@H]1CC1(Cl)Cl 159472344 XGOCSXIDXOGGGM-ZCFIWIBFSA-N 300.188 1.747 70 50 DDIA CN(C(=O)[C@@H]1CSCN1)[C@@H]1CCN(c2ccccc2F)C1=O 159935397 DJETWRNOTQENES-WCQYABFASA-N 323.393 1.052 70 50 DDIA COC(=O)[C@H](C)NC(=O)CCn1cc(C(C)=O)c2ccccc21 217647200 YNDKEGSJNOUCJG-NSHDSACASA-N 316.357 1.912 70 50 DDIA biogenic O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1C[C@@H]2C[C@H]2C1 1875382800 SACSBLHLKDVSFG-IUCAKERBSA-N 300.311 1.763 70 50 DDIA O=S(=O)(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)C1CC1 218301382 HWWPTTZFTMXRQT-KGLIPLIRSA-N 315.366 1.444 70 50 DDIA C[C@@H](C1CCN(C(=O)Cn2ccc(=O)cc2)CC1)N1CCCC1 218104753 NGHLVNAOOYUQJW-HNNXBMFYSA-N 317.433 1.571 70 50 DDIA COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)F)CC3 1875368311 IMQIANZPCNOYDB-UHFFFAOYSA-N 312.322 1.527 70 50 DDIA CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)nc(=O)[nH]1 217004032 QBTOKJXHFYQVCB-CYBMUJFWSA-N 307.394 1.610 70 50 DDIA COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)Cl 100480597 RXPCPJFYLBFCRV-UHFFFAOYSA-N 317.750 1.666 70 50 DDIA O=C(CCCn1cncn1)N1CCC[C@H](c2ccncn2)C1 217684735 SAQZBSJQNTWGNK-ZDUSSCGKSA-N 300.366 1.255 70 50 DDIA O=C(NCc1csc(-c2cnccn2)n1)[C@H]1CCC[C@H](O)C1 218483802 YYLHDGWQJDYGGR-JQWIXIFHSA-N 318.402 1.767 70 50 DDIA COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)F)C1 1875375262 WQUMXVRBGHGXQJ-JTQLQIEISA-N 316.354 1.560 70 50 DDIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1ccncc1 218224724 XOOPABYIWGLZKP-UHFFFAOYSA-N 320.352 1.622 70 50 DDIA CC(C)n1cc(CNC(=O)CC[C@H](C)N2CCOCC2)cn1 218768337 INGKBLDTJGWAHN-AWEZNQCLSA-N 308.426 1.581 70 50 DDIA CNC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1O 161156779 CCGPXIXEBHWTAC-ZDUSSCGKSA-N 300.362 1.402 70 50 DDIA O=C(C[C@H]1CCCOC1)Nc1cncc(OS(=O)(=O)F)c1 1875387506 LMKISDUHNKILJM-SECBINFHSA-N 318.326 1.430 70 50 DDIA Cc1nc(C)n(CCCNC(=O)[C@H](O)c2ccc(Cl)cc2)n1 218254277 JMKUSGBFYHJNEF-CQSZACIVSA-N 322.796 1.788 70 50 DDIA Cc1nc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)n[nH]1 217176517 JXBYUQHRMPORNM-QMMMGPOBSA-N 308.363 1.008 70 50 DDIA CC1=NO[C@H](C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)C1 218378462 FOAIOMWWKMXGPN-AWEZNQCLSA-N 313.357 1.664 70 50 DDIA O=C(COC[C@@H]1CCCCO1)N1CCC(c2cc[nH]n2)CC1 216959599 DJUUVNVJLVXONY-AWEZNQCLSA-N 307.394 1.701 70 50 DDIA COc1ccccc1N1CC[C@@H](NC(=O)C[C@@H](C)OC)C1=O 161263899 VFAHSJPALVLWGW-VXGBXAGGSA-N 306.362 1.342 70 50 DDIA CC(C)CNc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O 218332916 ZLNXXCSXLARRHS-UHFFFAOYSA-N 302.330 1.691 70 50 DDIA COCCn1cc(N(CCS(=O)(=O)F)CC2(C)CC2)cn1 1875382759 PKPVRLOBHWOFLF-UHFFFAOYSA-N 319.402 1.435 70 50 DDIA Cc1cc(S(=O)(=O)NC(=O)/C=C/c2ccncn2)c(C)o1 159641133 OBBZHFUCONRRSM-ONEGZZNKSA-N 307.331 1.205 70 50 DDIA O=C(NCc1ccccc1)C1CCN(C(=O)c2ccno2)CC1 218035552 QXABRWMCWUOKGB-UHFFFAOYSA-N 313.357 1.843 70 50 DDIA CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 161356085 VOLJGRAYSDTAFW-NWDGAFQWSA-N 306.362 1.342 70 50 DDIA CCc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)ccn1 218731277 CHERJXUSBPIUSO-RCBQFDQVSA-N 314.389 1.620 70 50 DDIA CSCc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)o1 217849154 TYKDWSPYESMYAH-CQSZACIVSA-N 310.375 1.809 70 50 DDIA O=c1c(CN2CCOCC2)coc(O)c1CN1CCCCCC1 218121727 GXKIKJNIAJJCMA-UHFFFAOYSA-N 322.405 1.554 70 50 DDIA CNC[C@H]1CCCN1C(=O)CCOc1ccc(C)cc1OC 161167902 APQCSPWIPAVUMP-CQSZACIVSA-N 306.406 1.983 70 50 DDIA C[C@]1(O)CCCN(C(=O)NCc2nnc3n2CCCCC3)C1 159901492 PRVKDEWREIYIPQ-HNNXBMFYSA-N 307.398 1.061 70 50 DDIA CCc1nc(C)c(CC(=O)N[C@H]2COc3ccccc32)c(=O)[nH]1 218613887 PDONXOIVCMQNJQ-ZDUSSCGKSA-N 313.357 1.433 70 50 DDIA O=C(NCCC(=O)N1CCc2n[nH]cc2C1)c1ccccc1F 217022309 FCTVYWZLUKPRQT-UHFFFAOYSA-N 316.336 1.254 70 50 DDIA CC(C)Cc1cc(C(=O)N(C)CCc2cnn(C)c2)nc(=O)[nH]1 217096859 FJRZBNHHNSKMHP-UHFFFAOYSA-N 317.393 1.017 70 50 DDIA CCN1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 159880747 RYYPYXBORBNHGS-AWEZNQCLSA-N 310.442 1.125 70 50 DDIA CCC(CC)(NS(=O)(=O)c1ccc(Cl)cc1F)C(N)=O 161220809 JSYNWCDCVVRSQW-UHFFFAOYSA-N 322.789 1.802 70 50 DDIA CCc1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)o1 1875371053 NBGIWFACPJIBIC-UHFFFAOYSA-N 304.343 1.251 70 50 DDIA O=C(CN1CCOC1=O)N(Cc1ccncc1)C[C@H]1CCCO1 218023651 PFHJFWSYXBLEOM-CQSZACIVSA-N 319.361 1.041 70 50 DDIA CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)(C)C 1875385444 SWTLFKVRCODPRB-UHFFFAOYSA-N 304.343 1.935 70 50 DDIA COc1cccc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 159370001 YKSDEAIWTKGCHH-KRWDZBQOSA-N 317.433 1.609 70 50 DDIA Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1ccncc1 160363546 ZUWHQUBKIWIMKA-LBPRGKRZSA-N 300.318 1.680 70 50 DDIA O=C(CCC(F)(F)F)Nc1cncc(OS(=O)(=O)F)c1 1875382681 MAZSGDQUKDQGMS-UHFFFAOYSA-N 316.232 1.956 70 50 DDIA COCCc1noc([C@H]2CCCCN2C(=O)c2cnc[nH]2)n1 218167724 FXKRHSVZBXNRDJ-LLVKDONJSA-N 305.338 1.349 70 50 DDIA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCCO1 160260153 NIVDTMQAIKEPIG-OAHLLOKOSA-N 302.374 1.999 70 50 DDIA O=C1CN(CC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)C(=O)N1 217393031 SESSBMHVOIVDGP-LLVKDONJSA-N 321.764 1.208 70 50 DDIA CCn1nc(C)cc1C(=O)N1CCC(O)(CN2CCCC2)CC1 217992549 PONDYKDAPYZRTR-UHFFFAOYSA-N 320.437 1.274 70 50 DDIA O=C(NCCc1cn[nH]c1)[C@@H]1CCCN1C(=O)C1CCCCC1 217600532 UAQSQJHVVLWEMN-HNNXBMFYSA-N 318.421 1.640 70 50 DDIA O=C(CCc1cccnc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 218282801 JGMNLGOJHIYJFZ-HOTGVXAUSA-N 303.406 1.072 70 50 DDIA O=C1CN(C(=O)c2cc(N3CCCCC3)ccc2Cl)CCN1 217013950 BMRMOIDEMLDSOJ-UHFFFAOYSA-N 321.808 1.902 70 50 DDIA O=C(O)c1cc(S(=O)(=O)F)c(F)cc1Br 675063645 ZSZZUXKUGQOWND-UHFFFAOYSA-N 301.064 1.945 70 50 DDIA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccc(=O)[nH]c1 217164214 VTGXTMIGDAULEW-UHFFFAOYSA-N 311.301 1.092 70 50 DDIA O=[N+]([O-])c1ccc(CNC2CCN(S(=O)(=O)F)CC2)cc1 1875373881 SMDHOMFLKUINOY-UHFFFAOYSA-N 317.342 1.363 70 50 DDIA Cc1c(Cl)cccc1C(=O)N1CCn2nc(CO)cc2C1 217847267 VEFDAWWQNQBFCP-UHFFFAOYSA-N 305.765 1.993 70 50 DDIA O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1ccncc1 218193164 UJBMJTRMQNDKKX-OAHLLOKOSA-N 311.341 1.530 70 50 DDIA O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 218088987 KXBUZLDJLSUFOI-KFWWJZLASA-N 300.358 1.326 70 50 DDIA O=C(CSc1ccncc1)NCC1(Cn2ccnc2)CC1 218190195 ZJZHYNMDHDSOJP-UHFFFAOYSA-N 302.403 1.967 70 50 DDIA O=C(NC[C@@]1(O)CCCNC1)c1ccc2ccccc2c1O 216936940 VWRWJCYTOPSDBJ-QGZVFWFLSA-N 300.358 1.390 70 50 DDIA CCOC(=O)C[C@](C)(O)c1cccc(OS(=O)(=O)F)c1 1875374434 QGNMLJTWGKSIST-LBPRGKRZSA-N 306.311 1.440 70 50 DDIA CCn1c(=O)c2cc(S(=O)(=O)Cl)ccc2n(CC)c1=O 252548584 QDYJBMMPYWGOLH-UHFFFAOYSA-N 316.766 1.131 70 50 DDIA CC[C@@H](C)N(CCS(=O)(=O)F)Cc1nnn(C(C)(C)C)n1 1875382757 PEHNGNMRJAWHMW-SNVBAGLBSA-N 321.422 1.328 70 50 DDIA COc1ccc(CCNC(=O)[C@@H]2CC(=O)OC2(C)C)cc1OC 218054886 FCWSFWYFEZZIBV-LBPRGKRZSA-N 321.373 1.704 70 50 DDIA biogenic O=C(NCCc1c[nH]cn1)c1cnc2ccc(F)cc2c1O 218344912 NLWZCROQFHPMRK-UHFFFAOYSA-N 300.293 1.775 70 50 DDIA COc1ccc([C@H](O)C(=O)N2CCOC3(CCCC3)C2)cc1 218624878 RUZPXXCTPVCVRV-HNNXBMFYSA-N 305.374 1.900 70 50 DDIA NC[C@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 160334115 JYCHBMCTKQNYCB-OAHLLOKOSA-N 301.390 1.306 70 50 DDIA COCCN1C[C@H](Cc2ccc(N3CCNCC3)cc2)CC1=O 218195910 VVWNSJCLYASNSQ-MRXNPFEDSA-N 317.433 1.134 70 50 DDIA Cc1cc([C@@H]2CCCN2C(=O)CN2CCCN(C)CC2)no1 218456197 PUHRNCJLVBIUQS-HNNXBMFYSA-N 306.410 1.284 70 50 DDIA CCNC(=O)N1CCC(NC(=O)c2ccc(F)c(O)c2)CC1 218320847 UXYKCZWLRCHLDT-UHFFFAOYSA-N 309.341 1.455 70 50 DDIA CN(Cc1cnccn1)C(=O)[C@@H](c1ccccc1F)N(C)C 217164992 WVLMEESBNUDGFQ-OAHLLOKOSA-N 302.353 1.877 70 50 DDIA COc1ccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1N 161331791 DDCXUNICJXWXNT-OAHLLOKOSA-N 305.378 1.863 70 50 DDIA Cc1ccc(C(=O)N2CCSCC2)cc1OS(=O)(=O)F 1875374253 HHQLQJPIMIFQSW-UHFFFAOYSA-N 319.379 1.777 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCC12CCC2 1875384797 IQFORNVCWXEJNM-UHFFFAOYSA-N 314.338 1.833 70 50 DDIA COc1ccccc1CCNc1cc(C2CC(N)C2)nc(N)n1 218585513 ZPDKBWCJYCPZJK-UHFFFAOYSA-N 313.405 1.927 70 50 DDIA Cc1c(CC(=O)N[C@H](CO)C(C)C)c(=O)oc2cc(O)ccc12 217884142 XLPDQRHURLUYSU-CQSZACIVSA-N 319.357 1.483 70 50 DDIA biogenic COC(=O)N[C@@H](C)C(=O)NCc1ccccc1-n1ccnc1 218240899 JONOMUHPCLOWIU-NSHDSACASA-N 302.334 1.233 70 50 DDIA CCc1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)n[nH]1 218311913 NYWZWLMFJUTPOO-UHFFFAOYSA-N 324.344 1.944 70 50 DDIA Cn1ncc(CN(CCS(=O)(=O)F)C[C@@H]2CC=CCC2)n1 1875382898 WPBHCNGWSUVGLY-GFCCVEGCSA-N 316.402 1.273 70 50 DDIA O=C([C@H]1CCCCO1)N1CCN(CCc2ccccc2)CC1 160361462 XVUFLBFWNSVGKV-QGZVFWFLSA-N 302.418 1.942 70 50 DDIA O=C(NCc1noc(-c2ccccc2)n1)c1cc(CO)ccn1 218025517 RMBWQGDOJREBGU-UHFFFAOYSA-N 310.313 1.554 70 50 DDIA CSCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 160840271 QJOGBUHKEGBQFR-GJZGRUSLSA-N 308.447 1.975 70 50 DDIA C[C@H](Cn1cncn1)N(CCS(=O)(=O)F)CC1(C)CC1 1875382660 LEARAUFSMAFVPW-LLVKDONJSA-N 304.391 1.068 70 50 DDIA CC(C)(C)N1C[C@H](CNC(=O)C(=O)c2ccccc2)CC1=O 217616723 FASDXGUYFNCWRZ-LBPRGKRZSA-N 302.374 1.633 70 50 DDIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccncc1Cl 217997807 NPEMXTHHRLTWAW-FAAHXZRKSA-N 321.808 1.717 70 50 DDIA NC(=O)c1ccc(N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc1 218216043 FSOYWOLNMMOQDU-BPLDGKMQSA-N 312.373 1.370 70 50 DDIA CN(C)c1ccc(CC(=O)NCCSc2ncn[nH]2)cc1 218072718 KXUUZZZBNLWNSY-UHFFFAOYSA-N 305.407 1.322 70 50 DDIA C[C@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383753 AJHWDCJSIKBMDY-VIFPVBQESA-N 302.327 1.689 70 50 DDIA O=C(Cc1ccco1)Nc1cncc(OS(=O)(=O)F)c1 1875387772 WOXLIGGLNJNJSC-UHFFFAOYSA-N 300.267 1.449 70 50 DDIA CC(C)C[C@@H]1CN(C(=O)c2cnn3cccnc23)CC[C@]1(C)O 216791572 BFDQNMMNTYSOGJ-DYVFJYSZSA-N 316.405 1.989 70 50 DDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCC(F)(F)C1 1875384374 GGJDPODVWAGQGF-UHFFFAOYSA-N 324.280 1.546 70 50 DDIA COC(=O)N1CCCC[C@H]1C(=O)NCCCn1ccnc1C 218318740 AEDAOFRWKSIRHS-ZDUSSCGKSA-N 308.382 1.319 70 50 DDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccccc2O)n[nH]1 218376307 ICJSIJBVIYPTJK-UKRRQHHQSA-N 317.345 1.316 70 50 DDIA C[C@H](Cc1cccnc1)NC(=O)c1cc(-n2cnnn2)ccc1O 217089215 YBWHTQFZZISITR-LLVKDONJSA-N 324.344 1.124 70 50 DDIA Nc1cc(O)nc(CCNC(=O)c2cc(Cl)ccc2F)n1 218195600 OSKRLGAJUKJCMR-UHFFFAOYSA-N 310.716 1.529 70 50 DDIA CN(C)Cc1ccccc1CN(C)C(=O)c1cnc[nH]c1=O 218286622 OBXXCVGKKKPHKX-UHFFFAOYSA-N 300.362 1.104 70 50 DDIA CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 216918464 YBUMWEUJUOKXNC-UHFFFAOYSA-N 324.431 1.287 70 50 DDIA O=C(N[C@H](CO)c1ccccc1)c1ccc(Cn2cnnn2)cc1 218375275 XNDJCTUKUIKPPG-MRXNPFEDSA-N 323.356 1.185 70 50 DDIA COc1ncc(N(CCS(=O)(=O)F)CC2CC2)cc1C#N 1875382920 XFYCMONNEQDPJG-UHFFFAOYSA-N 313.354 1.478 70 50 DDIA O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1n[nH]c(=O)[nH]1 217596549 MJHWIDVXQALQBN-UHFFFAOYSA-N 322.434 1.416 70 50 DDIA CC[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)c1nc(C)c[nH]1 217386978 ISULXPSCQYCXCF-LLVKDONJSA-N 314.345 1.894 70 50 DDIA CCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCCOC(C)C)C[C@@]23C=C[C@H]1O3 217644115 CPXMIERIFISBPP-OEUWWYETSA-N 323.389 1.147 70 50 DDIA CC(=O)N1CC(Nc2ccc(O)c(-c3nnc(C)o3)c2)=CC1=O 218450779 USOVEONOKWCZPP-UHFFFAOYSA-N 314.301 1.435 70 50 DDIA COc1ccc(CC(=O)Nc2ccc3nnn(C)c(=O)c3c2)cc1 218209017 BINHDSXRIYQAIF-UHFFFAOYSA-N 324.340 1.518 70 50 DDIA COCCn1c(C)cc(C)c(C(=O)Nc2ccn(C)n2)c1=O 218558370 CQRREMVQPJWHMZ-UHFFFAOYSA-N 304.350 1.097 70 50 DDIA COc1cn(CC(=O)N2CCc3ccccc3C2)c(C)cc1=O 217810518 HHMLQDSVBBWXCJ-UHFFFAOYSA-N 312.369 1.750 70 50 DDIA biogenic O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 160991468 SMRHXUYUKYXGMU-UBHSHLNASA-N 312.377 1.522 70 50 DDIA COc1ccccc1CN1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217760520 KBHKKHXFSQJPHR-FVQHAEBGSA-N 301.434 1.278 70 50 DDIA Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C 161478397 WSJATEFLBBMHTM-LLVKDONJSA-N 322.409 1.810 70 50 DDIA CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)F)c1 675066226 ZJWUQNVOCDXOFJ-UHFFFAOYSA-N 301.748 1.249 70 50 DDIA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1O 217853372 JBNBUFXSYYJTDD-SNVBAGLBSA-N 319.313 1.375 70 50 DDIA biogenic Cc1c[nH]c(C(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)n1 216911513 HWZSXWJYAXKTPW-CQSZACIVSA-N 319.453 1.206 70 50 DDIA Nc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)n[nH]1 217954269 SQEAZLDWKREHSF-UHFFFAOYSA-N 304.325 1.815 70 50 DDIA COC(=O)N1CCCC[C@@H]1C(=O)NCCCn1ccnc1C 218318690 AEDAOFRWKSIRHS-CYBMUJFWSA-N 308.382 1.319 70 50 DDIA COC(=O)[C@H](C)N1CCN(C(=O)Nc2cccc(C)c2)CC1 160267550 AZGVBFRNGJUJMK-ZDUSSCGKSA-N 305.378 1.706 70 50 DDIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1c(F)cccc1F 218301185 WOMUKZNRJSHYLC-CXOGBFNASA-N 322.355 1.946 70 50 DDIA C[C@H](C(=O)NCCSc1cnn[nH]1)n1cc(Cl)cn1 218053569 LFMJECNMKCCXFD-SSDOTTSWSA-N 300.775 1.124 70 50 DDIA CCc1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)ccn1 218731211 CHERJXUSBPIUSO-DAXOMENPSA-N 314.389 1.620 70 50 DDIA CCOCCN1CCN(Cc2ccccc2F)[C@@H](CCO)C1 216643525 KRSMHEJNKKJNEM-INIZCTEOSA-N 310.413 1.731 70 50 DDIA CN(C)c1ncccc1CNC(=O)N[C@@H]1CCc2[nH]ncc2C1 160246827 BXBUVXNAEVVIJQ-CYBMUJFWSA-N 314.393 1.227 70 50 DDIA COC(=O)[C@@H](C)NC(=O)Cn1ccc2c(NC(C)=O)cccc21 217760916 DHYSWRXWGOKGRE-SNVBAGLBSA-N 317.345 1.277 70 50 DDIA biogenic Cc1ccsc1CN(CCS(=O)(=O)F)CC(C)(C)O 1875382794 RRYGQCLBAKQWHB-UHFFFAOYSA-N 309.428 1.929 70 50 DDIA CSCc1nc(CCNC(=O)c2cnc(O)cn2)cs1 218220644 LAEQUJIJEATDRT-UHFFFAOYSA-N 310.404 1.474 70 50 DDIA CSCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 160840372 QJOGBUHKEGBQFR-LSDHHAIUSA-N 308.447 1.975 70 50 DDIA CN(CCN1CCCCC1=O)C(=O)[C@@H](O)c1cccc(Cl)c1 218771578 RTTCWAYBJAVOQM-HNNXBMFYSA-N 324.808 1.844 70 50 DDIA CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2CN)c1 160260310 XZWRKMYEWYZNFE-JTQLQIEISA-N 314.382 1.183 70 50 DDIA COc1ccc2ncc(C(=O)NCCc3c[nH]cn3)c(O)c2c1 217674208 BXOKGKMYEKYNNF-UHFFFAOYSA-N 312.329 1.645 70 50 DDIA biogenic COC(=O)N[C@H](C)C(=O)NCc1nc(C2CCCCC2)no1 218578854 CQMBCKXKSIFGQJ-SECBINFHSA-N 310.354 1.478 70 50 DDIA CCc1nccn1CC(=O)N1CCCC[C@H]1CN1CCOCC1 218766635 WJNBNUBEOKODSK-HNNXBMFYSA-N 320.437 1.159 70 50 DDIA O=C(CCc1nc2ccccc2nc1O)N[C@H]1C[C@@H]2OCC[C@H]12 218219766 JVFYNQYJNAMWHD-ONERCXAPSA-N 313.357 1.562 70 50 DDIA Cc1cc(C[C@@H](C)NC(=O)c2cnc3ccccn3c2=O)n[nH]1 161377086 DFFQHYXPEAXMGP-SNVBAGLBSA-N 311.345 1.087 70 50 DDIA Cc1ccccc1CNC(=O)Cn1c(-c2cccnc2)noc1=O 161288199 OPDVOXMLVRRPQN-UHFFFAOYSA-N 324.340 1.523 70 50 DDIA CCCn1ncc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)c1C 218564327 KZODJXLYBSDRPY-ATGSNQNLSA-N 307.394 1.381 70 50 DDIA COc1nc(C)cc(C)c1CNC(=O)c1cc(=O)cc(C)o1 218716926 YCFZQNUTUUPJSO-UHFFFAOYSA-N 302.330 1.899 70 50 DDIA CC[C@H](NC(=O)c1ccc(N(C)CCO)cc1)C1CC(O)C1 218104639 QHJMFEWIXOJKRN-BCLQGDPASA-N 306.406 1.394 70 50 DDIA OC1CC(c2cc(N3CCC(N4CCCC4)CC3)ncn2)C1 218319893 HEGNGSISRLZJLG-UHFFFAOYSA-N 302.422 1.780 70 50 DDIA C[C@H](Cn1cccn1)C(=O)N1CC(Oc2ccccc2F)C1 217483817 QXAGWWLWGRMHJJ-GFCCVEGCSA-N 303.337 1.948 70 50 DDIA CN(Cc1ccccc1)S(=O)(=O)NCC1(CO)CCCC1 160344591 KAELKFHONZZGGE-UHFFFAOYSA-N 312.435 1.506 70 50 DDIA O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CSCN1 159679572 GSDSZJBDPUPQBZ-QWRGUYRKSA-N 321.229 1.806 70 50 DDIA COc1ccccc1-n1cc(CNC(=O)c2ccc(N)nc2)cn1 217768435 LDCZQDHMYCBJJC-UHFFFAOYSA-N 323.356 1.788 70 50 DDIA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCO1 160260019 NIVDTMQAIKEPIG-HNNXBMFYSA-N 302.374 1.999 70 50 DDIA Cc1cc(N)n(CC(=O)N(C)Cc2ccccc2-n2cccn2)n1 216960346 ZHTIWEHQIXSNDD-UHFFFAOYSA-N 324.388 1.618 70 50 DDIA O=C(COc1ccc2nncn2n1)N1CCC[C@@H]1c1ccccn1 217640732 AFHAIZYLBHFUEB-CYBMUJFWSA-N 324.344 1.262 70 50 DDIA O=S(=O)(Cc1ccn(-c2ccccc2)n1)C1CCOCC1 160085050 IWDKCWGDMPKNJC-UHFFFAOYSA-N 306.387 1.966 70 50 DDIA COc1ccc([C@@H](N)CC(=O)NCc2ncc[nH]2)cc1OC 218697973 RPQQVGMRKMHEFV-NSHDSACASA-N 304.350 1.133 70 50 DDIA NC(=O)C[C@H](c1ccco1)c1c(Cc2ccccc2)[nH][nH]c1=O 218462177 FEKSTCAGIZUZOE-GFCCVEGCSA-N 311.341 1.894 70 50 DDIA O=c1cc(CN2CCOCC2)oc(CN2CCCCC2)c1O 218441663 KQDYQNNWLMNRIE-UHFFFAOYSA-N 308.378 1.164 70 50 DDIA CC(C)n1cc(CNC(=O)CC[C@@H](C)N2CCOCC2)cn1 218768261 INGKBLDTJGWAHN-CQSZACIVSA-N 308.426 1.581 70 50 DDIA COCCN1C[C@@H](NC(=O)c2ccc(F)c(F)c2F)CC1=O 218287162 WWCLARNDLKNHGR-QMMMGPOBSA-N 316.279 1.081 70 50 DDIA CCc1nccn1CCC(=O)N1CCC(c2nnc[nH]2)CC1 217785337 MUGVQNPNTXNGLF-UHFFFAOYSA-N 302.382 1.360 70 50 DDIA CCc1nc(C)c(CC(=O)N[C@@H]2COc3ccccc32)c(=O)[nH]1 218613793 PDONXOIVCMQNJQ-CYBMUJFWSA-N 313.357 1.433 70 50 DDIA Nc1nc(NCc2ccc3c(c2)OCO3)cc(C2CC(O)C2)n1 218781639 PEOGAJKPSVPRKF-UHFFFAOYSA-N 314.345 1.638 70 50 DDIA Cc1ccccc1OC[C@@H](O)C(=O)NCCc1cccnc1 217168055 QZJIHKAQENMVNO-OAHLLOKOSA-N 300.358 1.489 70 50 DDIA C[C@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C 160290311 YXHLTBQWWUKOEP-STQMWFEESA-N 304.394 1.499 70 50 DDIA O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccccc1 161366466 CCKYYXLRYHIZEG-OAHLLOKOSA-N 324.336 1.132 70 50 DDIA CC(C)C[C@@H]1CN(C(=O)c2cc3ncccn3n2)CC[C@]1(C)O 216961602 FSVUGHASBFVXNZ-DYVFJYSZSA-N 316.405 1.989 70 50 DDIA COCCc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)no1 218631050 YHOSKMRGZUXCBL-QWHCGFSZSA-N 301.346 1.678 70 50 DDIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1OC 218314874 JFRAGCSPASNWQF-SNVBAGLBSA-N 305.334 1.036 70 50 DDIA CC(C)c1noc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)n1 218093299 FKARDXYJLJUYAH-UHFFFAOYSA-N 317.397 1.406 70 50 DDIA O=C(CCCn1cncn1)N[C@@H]1COCC[C@@H]1OCC1CCC1 218362958 JJIFYOFSHJWQFN-CABCVRRESA-N 322.409 1.149 70 50 DDIA Cn1nccc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 161165426 VIBQFOOIMONHAM-QGZVFWFLSA-N 310.357 1.400 70 50 DDIA COC(=O)c1ccccc1Nc1c(NCC(C)C)c(=O)c1=O 218172835 MJVSAPDGDRSALE-UHFFFAOYSA-N 302.330 1.881 70 50 DDIA COc1ccc(CNC(=O)COc2c(C)occc2=O)cc1 218120591 OFKQSXLEVOMFHN-UHFFFAOYSA-N 303.314 1.652 70 50 DDIA biogenic